USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 784 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 Single : A 42 SER OG : rot -81:sc= 0.185 USER MOD Single : A 43 SER OG : rot -27:sc= 0.109 USER MOD Single : A 47 HIS : no HD1:sc= -4.96! C(o=-5!,f=-9.1!) USER MOD Single : A 51 THR OG1 : rot -170:sc= -0.391 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= -1.91! (180deg=-3.2!) USER MOD Single : A 64 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 68 HIS : no HD1:sc= -3.42 K(o=-3.4,f=-5.7!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 CYS SG : rot 49:sc= 0.163 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 82 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-3.7!) USER MOD Single : A 89 MET CE :methyl 138:sc= -0.683 (180deg=-4.01!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.013) USER MOD Single : A 108 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.86) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -156:sc= 0.363 USER MOD Single : A 116 SER OG : rot -8:sc= 0.462 USER MOD Single : A 118 CYS SG : rot 178:sc= -6.32! USER MOD Single : A 120 GLN : amide:sc=-0.00362 K(o=-0.0036,f=-0.85) USER MOD Single : A 131 SER OG : rot 60:sc= 0.296 USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 39 1.249 7.749 -3.804 1.00 1.00 N ATOM 109 CA GLU A 39 1.841 8.920 -3.170 1.00 1.00 C ATOM 110 C GLU A 39 1.044 9.328 -1.936 1.00 1.00 C ATOM 111 O GLU A 39 0.289 10.299 -1.967 1.00 1.00 O ATOM 112 CB GLU A 39 1.880 10.082 -4.161 1.00 1.00 C ATOM 113 CG GLU A 39 2.803 9.728 -5.328 1.00 1.00 C ATOM 114 CD GLU A 39 2.829 10.873 -6.335 1.00 1.00 C ATOM 115 OE1 GLU A 39 2.172 11.869 -6.088 1.00 1.00 O ATOM 116 OE2 GLU A 39 3.509 10.734 -7.340 1.00 1.00 O ATOM 0 HA GLU A 39 2.856 8.668 -2.862 1.00 1.00 H new ATOM 0 HB2 GLU A 39 0.876 10.294 -4.529 1.00 1.00 H new ATOM 0 HB3 GLU A 39 2.234 10.985 -3.664 1.00 1.00 H new ATOM 0 HG2 GLU A 39 3.810 9.533 -4.960 1.00 1.00 H new ATOM 0 HG3 GLU A 39 2.458 8.814 -5.812 1.00 1.00 H new ATOM 123 N TRP A 40 1.203 8.570 -0.856 1.00 1.00 N ATOM 124 CA TRP A 40 0.485 8.859 0.384 1.00 1.00 C ATOM 125 C TRP A 40 1.302 9.794 1.264 1.00 1.00 C ATOM 126 O TRP A 40 0.777 10.762 1.812 1.00 1.00 O ATOM 127 CB TRP A 40 0.194 7.549 1.133 1.00 1.00 C ATOM 128 CG TRP A 40 1.301 6.576 0.888 1.00 1.00 C ATOM 129 CD1 TRP A 40 1.386 5.756 -0.185 1.00 1.00 C ATOM 130 CD2 TRP A 40 2.477 6.309 1.702 1.00 1.00 C ATOM 131 NE1 TRP A 40 2.539 4.999 -0.079 1.00 1.00 N ATOM 132 CE2 TRP A 40 3.246 5.304 1.067 1.00 1.00 C ATOM 133 CE3 TRP A 40 2.948 6.833 2.917 1.00 1.00 C ATOM 134 CZ2 TRP A 40 4.439 4.838 1.620 1.00 1.00 C ATOM 135 CZ3 TRP A 40 4.149 6.364 3.474 1.00 1.00 C ATOM 136 CH2 TRP A 40 4.891 5.370 2.828 1.00 1.00 C ATOM 0 H TRP A 40 1.817 7.757 -0.812 1.00 1.00 H new ATOM 0 HA TRP A 40 -0.458 9.349 0.140 1.00 1.00 H new ATOM 0 HB2 TRP A 40 0.096 7.743 2.201 1.00 1.00 H new ATOM 0 HB3 TRP A 40 -0.754 7.129 0.797 1.00 1.00 H new ATOM 0 HD1 TRP A 40 0.671 5.701 -0.992 1.00 1.00 H new ATOM 0 HE1 TRP A 40 2.831 4.301 -0.763 1.00 1.00 H new ATOM 0 HE3 TRP A 40 2.384 7.601 3.426 1.00 1.00 H new ATOM 0 HZ2 TRP A 40 5.009 4.071 1.117 1.00 1.00 H new ATOM 0 HZ3 TRP A 40 4.502 6.774 4.409 1.00 1.00 H new ATOM 0 HH2 TRP A 40 5.813 5.015 3.264 1.00 1.00 H new ATOM 147 N LEU A 41 2.584 9.491 1.404 1.00 1.00 N ATOM 148 CA LEU A 41 3.462 10.307 2.224 1.00 1.00 C ATOM 149 C LEU A 41 3.561 11.719 1.667 1.00 1.00 C ATOM 150 O LEU A 41 3.734 12.680 2.412 1.00 1.00 O ATOM 151 CB LEU A 41 4.861 9.678 2.284 1.00 1.00 C ATOM 152 CG LEU A 41 5.616 10.209 3.513 1.00 1.00 C ATOM 153 CD1 LEU A 41 5.212 9.402 4.761 1.00 1.00 C ATOM 154 CD2 LEU A 41 7.121 10.076 3.284 1.00 1.00 C ATOM 0 H LEU A 41 3.036 8.690 0.962 1.00 1.00 H new ATOM 0 HA LEU A 41 3.043 10.356 3.229 1.00 1.00 H new ATOM 0 HB2 LEU A 41 4.780 8.592 2.336 1.00 1.00 H new ATOM 0 HB3 LEU A 41 5.415 9.913 1.375 1.00 1.00 H new ATOM 0 HG LEU A 41 5.362 11.258 3.666 1.00 1.00 H new ATOM 0 HD11 LEU A 41 5.750 9.782 5.630 1.00 1.00 H new ATOM 0 HD12 LEU A 41 4.139 9.501 4.927 1.00 1.00 H new ATOM 0 HD13 LEU A 41 5.461 8.351 4.611 1.00 1.00 H new ATOM 0 HD21 LEU A 41 7.656 10.453 4.156 1.00 1.00 H new ATOM 0 HD22 LEU A 41 7.374 9.027 3.128 1.00 1.00 H new ATOM 0 HD23 LEU A 41 7.408 10.653 2.405 1.00 1.00 H new ATOM 166 N SER A 42 3.460 11.829 0.356 1.00 1.00 N ATOM 167 CA SER A 42 3.549 13.131 -0.302 1.00 1.00 C ATOM 168 C SER A 42 2.651 14.146 0.397 1.00 1.00 C ATOM 169 O SER A 42 2.773 15.351 0.179 1.00 1.00 O ATOM 170 CB SER A 42 3.141 13.008 -1.770 1.00 1.00 C ATOM 171 OG SER A 42 1.763 12.667 -1.845 1.00 1.00 O ATOM 0 H SER A 42 3.317 11.042 -0.276 1.00 1.00 H new ATOM 0 HA SER A 42 4.582 13.475 -0.244 1.00 1.00 H new ATOM 0 HB2 SER A 42 3.324 13.948 -2.291 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.744 12.247 -2.265 1.00 1.00 H new ATOM 0 HG SER A 42 1.657 11.702 -1.711 1.00 1.00 H new ATOM 177 N SER A 43 1.748 13.649 1.235 1.00 1.00 N ATOM 178 CA SER A 43 0.832 14.520 1.961 1.00 1.00 C ATOM 179 C SER A 43 1.597 15.416 2.925 1.00 1.00 C ATOM 180 O SER A 43 1.069 16.413 3.413 1.00 1.00 O ATOM 181 CB SER A 43 -0.185 13.682 2.736 1.00 1.00 C ATOM 182 OG SER A 43 -1.123 14.546 3.363 1.00 1.00 O ATOM 0 H SER A 43 1.631 12.654 1.427 1.00 1.00 H new ATOM 0 HA SER A 43 0.308 15.146 1.239 1.00 1.00 H new ATOM 0 HB2 SER A 43 -0.698 12.997 2.062 1.00 1.00 H new ATOM 0 HB3 SER A 43 0.323 13.073 3.484 1.00 1.00 H new ATOM 0 HG SER A 43 -0.703 15.414 3.537 1.00 1.00 H new ATOM 188 N LEU A 44 2.844 15.055 3.202 1.00 1.00 N ATOM 189 CA LEU A 44 3.678 15.838 4.117 1.00 1.00 C ATOM 190 C LEU A 44 5.066 16.037 3.526 1.00 1.00 C ATOM 191 O LEU A 44 5.428 15.390 2.541 1.00 1.00 O ATOM 192 CB LEU A 44 3.794 15.121 5.461 1.00 1.00 C ATOM 193 CG LEU A 44 4.288 13.669 5.241 1.00 1.00 C ATOM 194 CD1 LEU A 44 5.288 13.299 6.332 1.00 1.00 C ATOM 195 CD2 LEU A 44 3.097 12.711 5.289 1.00 1.00 C ATOM 0 H LEU A 44 3.301 14.231 2.811 1.00 1.00 H new ATOM 0 HA LEU A 44 3.211 16.812 4.266 1.00 1.00 H new ATOM 0 HB2 LEU A 44 4.487 15.656 6.110 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.827 15.114 5.964 1.00 1.00 H new ATOM 0 HG LEU A 44 4.772 13.594 4.267 1.00 1.00 H new ATOM 0 HD11 LEU A 44 5.635 12.277 6.176 1.00 1.00 H new ATOM 0 HD12 LEU A 44 6.138 13.981 6.293 1.00 1.00 H new ATOM 0 HD13 LEU A 44 4.807 13.374 7.307 1.00 1.00 H new ATOM 0 HD21 LEU A 44 3.445 11.690 5.134 1.00 1.00 H new ATOM 0 HD22 LEU A 44 2.610 12.785 6.261 1.00 1.00 H new ATOM 0 HD23 LEU A 44 2.386 12.975 4.506 1.00 1.00 H new ATOM 207 N ARG A 45 5.846 16.929 4.135 1.00 1.00 N ATOM 208 CA ARG A 45 7.199 17.200 3.663 1.00 1.00 C ATOM 209 C ARG A 45 8.217 16.846 4.737 1.00 1.00 C ATOM 210 O ARG A 45 8.296 17.500 5.772 1.00 1.00 O ATOM 211 CB ARG A 45 7.323 18.693 3.289 1.00 1.00 C ATOM 212 CG ARG A 45 8.033 18.836 1.942 1.00 1.00 C ATOM 213 CD ARG A 45 9.497 18.423 2.099 1.00 1.00 C ATOM 214 NE ARG A 45 10.187 18.555 0.820 1.00 1.00 N ATOM 215 CZ ARG A 45 10.711 19.712 0.438 1.00 1.00 C ATOM 216 NH1 ARG A 45 10.610 20.759 1.210 1.00 1.00 N ATOM 217 NH2 ARG A 45 11.328 19.801 -0.707 1.00 1.00 N ATOM 0 H ARG A 45 5.565 17.472 4.951 1.00 1.00 H new ATOM 0 HA ARG A 45 7.398 16.587 2.784 1.00 1.00 H new ATOM 0 HB2 ARG A 45 6.334 19.147 3.238 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.879 19.225 4.061 1.00 1.00 H new ATOM 0 HG2 ARG A 45 7.545 18.213 1.192 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.969 19.866 1.591 1.00 1.00 H new ATOM 0 HD2 ARG A 45 9.982 19.046 2.850 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.558 17.393 2.451 1.00 1.00 H new ATOM 0 HE ARG A 45 10.268 17.743 0.209 1.00 1.00 H new ATOM 0 HH11 ARG A 45 10.128 20.687 2.106 1.00 1.00 H new ATOM 0 HH12 ARG A 45 11.013 21.649 0.917 1.00 1.00 H new ATOM 0 HH21 ARG A 45 11.408 18.981 -1.309 1.00 1.00 H new ATOM 0 HH22 ARG A 45 11.731 20.691 -1.001 1.00 1.00 H new ATOM 231 N ALA A 46 9.004 15.814 4.473 1.00 1.00 N ATOM 232 CA ALA A 46 10.026 15.377 5.420 1.00 1.00 C ATOM 233 C ALA A 46 11.369 16.024 5.103 1.00 1.00 C ATOM 234 O ALA A 46 11.559 16.587 4.027 1.00 1.00 O ATOM 235 CB ALA A 46 10.168 13.859 5.371 1.00 1.00 C ATOM 0 H ALA A 46 8.957 15.264 3.615 1.00 1.00 H new ATOM 0 HA ALA A 46 9.717 15.682 6.420 1.00 1.00 H new ATOM 0 HB1 ALA A 46 10.932 13.542 6.080 1.00 1.00 H new ATOM 0 HB2 ALA A 46 9.216 13.396 5.632 1.00 1.00 H new ATOM 0 HB3 ALA A 46 10.457 13.553 4.366 1.00 1.00 H new ATOM 241 N HIS A 47 12.302 15.932 6.047 1.00 1.00 N ATOM 242 CA HIS A 47 13.630 16.496 5.850 1.00 1.00 C ATOM 243 C HIS A 47 14.647 15.774 6.722 1.00 1.00 C ATOM 244 O HIS A 47 14.517 15.738 7.943 1.00 1.00 O ATOM 245 CB HIS A 47 13.626 17.981 6.194 1.00 1.00 C ATOM 246 CG HIS A 47 15.021 18.533 6.071 1.00 1.00 C ATOM 247 ND1 HIS A 47 16.050 17.809 5.489 1.00 1.00 N ATOM 248 CD2 HIS A 47 15.572 19.731 6.450 1.00 1.00 C ATOM 249 CE1 HIS A 47 17.157 18.573 5.535 1.00 1.00 C ATOM 250 NE2 HIS A 47 16.920 19.754 6.112 1.00 1.00 N ATOM 0 H HIS A 47 12.163 15.476 6.949 1.00 1.00 H new ATOM 0 HA HIS A 47 13.906 16.370 4.803 1.00 1.00 H new ATOM 0 HB2 HIS A 47 12.952 18.517 5.526 1.00 1.00 H new ATOM 0 HB3 HIS A 47 13.254 18.128 7.208 1.00 1.00 H new ATOM 0 HD2 HIS A 47 15.039 20.534 6.937 1.00 1.00 H new ATOM 0 HE1 HIS A 47 18.120 18.268 5.152 1.00 1.00 H new ATOM 0 HE2 HIS A 47 17.586 20.511 6.271 1.00 1.00 H new ATOM 259 N VAL A 48 15.662 15.194 6.087 1.00 1.00 N ATOM 260 CA VAL A 48 16.701 14.467 6.815 1.00 1.00 C ATOM 261 C VAL A 48 18.009 15.252 6.791 1.00 1.00 C ATOM 262 O VAL A 48 18.423 15.761 5.750 1.00 1.00 O ATOM 263 CB VAL A 48 16.915 13.087 6.187 1.00 1.00 C ATOM 264 CG1 VAL A 48 18.177 12.444 6.780 1.00 1.00 C ATOM 265 CG2 VAL A 48 15.703 12.201 6.482 1.00 1.00 C ATOM 0 H VAL A 48 15.788 15.212 5.075 1.00 1.00 H new ATOM 0 HA VAL A 48 16.380 14.343 7.849 1.00 1.00 H new ATOM 0 HB VAL A 48 17.035 13.192 5.109 1.00 1.00 H new ATOM 0 HG11 VAL A 48 18.329 11.462 6.333 1.00 1.00 H new ATOM 0 HG12 VAL A 48 19.040 13.076 6.570 1.00 1.00 H new ATOM 0 HG13 VAL A 48 18.059 12.337 7.858 1.00 1.00 H new ATOM 0 HG21 VAL A 48 15.854 11.218 6.036 1.00 1.00 H new ATOM 0 HG22 VAL A 48 15.583 12.095 7.560 1.00 1.00 H new ATOM 0 HG23 VAL A 48 14.807 12.657 6.061 1.00 1.00 H new ATOM 275 N VAL A 49 18.660 15.338 7.950 1.00 1.00 N ATOM 276 CA VAL A 49 19.924 16.058 8.053 1.00 1.00 C ATOM 277 C VAL A 49 21.091 15.142 7.684 1.00 1.00 C ATOM 278 O VAL A 49 21.499 14.291 8.473 1.00 1.00 O ATOM 279 CB VAL A 49 20.113 16.576 9.478 1.00 1.00 C ATOM 280 CG1 VAL A 49 21.289 17.553 9.513 1.00 1.00 C ATOM 281 CG2 VAL A 49 18.840 17.299 9.927 1.00 1.00 C ATOM 0 H VAL A 49 18.335 14.921 8.823 1.00 1.00 H new ATOM 0 HA VAL A 49 19.901 16.899 7.360 1.00 1.00 H new ATOM 0 HB VAL A 49 20.315 15.739 10.146 1.00 1.00 H new ATOM 0 HG11 VAL A 49 21.424 17.923 10.529 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.196 17.043 9.189 1.00 1.00 H new ATOM 0 HG13 VAL A 49 21.086 18.391 8.846 1.00 1.00 H new ATOM 0 HG21 VAL A 49 18.971 17.670 10.943 1.00 1.00 H new ATOM 0 HG22 VAL A 49 18.642 18.136 9.258 1.00 1.00 H new ATOM 0 HG23 VAL A 49 17.999 16.606 9.900 1.00 1.00 H new ATOM 291 N ARG A 50 21.619 15.324 6.483 1.00 1.00 N ATOM 292 CA ARG A 50 22.731 14.506 6.015 1.00 1.00 C ATOM 293 C ARG A 50 23.961 14.726 6.879 1.00 1.00 C ATOM 294 O ARG A 50 24.689 13.782 7.184 1.00 1.00 O ATOM 295 CB ARG A 50 23.059 14.853 4.558 1.00 1.00 C ATOM 296 CG ARG A 50 21.927 14.354 3.631 1.00 1.00 C ATOM 297 CD ARG A 50 20.864 15.444 3.482 1.00 1.00 C ATOM 298 NE ARG A 50 19.798 14.991 2.608 1.00 1.00 N ATOM 299 CZ ARG A 50 18.751 15.764 2.349 1.00 1.00 C ATOM 300 NH1 ARG A 50 18.668 16.952 2.884 1.00 1.00 N ATOM 301 NH2 ARG A 50 17.807 15.336 1.558 1.00 1.00 N ATOM 0 H ARG A 50 21.298 16.027 5.817 1.00 1.00 H new ATOM 0 HA ARG A 50 22.438 13.458 6.083 1.00 1.00 H new ATOM 0 HB2 ARG A 50 23.181 15.931 4.450 1.00 1.00 H new ATOM 0 HB3 ARG A 50 24.005 14.395 4.270 1.00 1.00 H new ATOM 0 HG2 ARG A 50 22.333 14.092 2.654 1.00 1.00 H new ATOM 0 HG3 ARG A 50 21.479 13.450 4.043 1.00 1.00 H new ATOM 0 HD2 ARG A 50 20.457 15.701 4.460 1.00 1.00 H new ATOM 0 HD3 ARG A 50 21.316 16.349 3.077 1.00 1.00 H new ATOM 0 HE ARG A 50 19.854 14.064 2.186 1.00 1.00 H new ATOM 0 HH11 ARG A 50 19.408 17.286 3.501 1.00 1.00 H new ATOM 0 HH12 ARG A 50 17.863 17.546 2.685 1.00 1.00 H new ATOM 0 HH21 ARG A 50 17.874 14.408 1.139 1.00 1.00 H new ATOM 0 HH22 ARG A 50 17.001 15.929 1.358 1.00 1.00 H new ATOM 315 N THR A 51 24.180 15.971 7.278 1.00 1.00 N ATOM 316 CA THR A 51 25.321 16.302 8.120 1.00 1.00 C ATOM 317 C THR A 51 25.176 15.652 9.491 1.00 1.00 C ATOM 318 O THR A 51 26.167 15.315 10.139 1.00 1.00 O ATOM 319 CB THR A 51 25.432 17.819 8.280 1.00 1.00 C ATOM 320 OG1 THR A 51 24.225 18.324 8.836 1.00 1.00 O ATOM 321 CG2 THR A 51 25.674 18.461 6.914 1.00 1.00 C ATOM 0 H THR A 51 23.587 16.764 7.034 1.00 1.00 H new ATOM 0 HA THR A 51 26.225 15.923 7.643 1.00 1.00 H new ATOM 0 HB THR A 51 26.265 18.055 8.942 1.00 1.00 H new ATOM 0 HG1 THR A 51 24.230 19.303 8.794 1.00 1.00 H new ATOM 0 HG21 THR A 51 25.753 19.542 7.029 1.00 1.00 H new ATOM 0 HG22 THR A 51 26.599 18.073 6.488 1.00 1.00 H new ATOM 0 HG23 THR A 51 24.842 18.227 6.249 1.00 1.00 H new ATOM 329 N GLY A 52 23.934 15.481 9.932 1.00 1.00 N ATOM 330 CA GLY A 52 23.671 14.871 11.230 1.00 1.00 C ATOM 331 C GLY A 52 23.597 13.355 11.121 1.00 1.00 C ATOM 332 O GLY A 52 24.457 12.645 11.638 1.00 1.00 O ATOM 0 H GLY A 52 23.099 15.754 9.414 1.00 1.00 H new ATOM 0 HA2 GLY A 52 24.457 15.150 11.932 1.00 1.00 H new ATOM 0 HA3 GLY A 52 22.734 15.255 11.632 1.00 1.00 H new ATOM 336 N ILE A 53 22.565 12.865 10.442 1.00 1.00 N ATOM 337 CA ILE A 53 22.397 11.433 10.268 1.00 1.00 C ATOM 338 C ILE A 53 23.571 10.857 9.497 1.00 1.00 C ATOM 339 O ILE A 53 24.593 10.515 10.080 1.00 1.00 O ATOM 340 CB ILE A 53 21.088 11.143 9.521 1.00 1.00 C ATOM 341 CG1 ILE A 53 19.898 11.715 10.330 1.00 1.00 C ATOM 342 CG2 ILE A 53 20.910 9.625 9.345 1.00 1.00 C ATOM 343 CD1 ILE A 53 18.620 10.945 9.993 1.00 1.00 C ATOM 0 H ILE A 53 21.840 13.436 10.008 1.00 1.00 H new ATOM 0 HA ILE A 53 22.356 10.964 11.251 1.00 1.00 H new ATOM 0 HB ILE A 53 21.122 11.613 8.538 1.00 1.00 H new ATOM 0 HG12 ILE A 53 20.105 11.643 11.398 1.00 1.00 H new ATOM 0 HG13 ILE A 53 19.767 12.773 10.101 1.00 1.00 H new ATOM 0 HG21 ILE A 53 19.979 9.427 8.814 1.00 1.00 H new ATOM 0 HG22 ILE A 53 21.747 9.225 8.772 1.00 1.00 H new ATOM 0 HG23 ILE A 53 20.878 9.146 10.324 1.00 1.00 H new ATOM 0 HD11 ILE A 53 17.787 11.353 10.566 1.00 1.00 H new ATOM 0 HD12 ILE A 53 18.408 11.040 8.928 1.00 1.00 H new ATOM 0 HD13 ILE A 53 18.752 9.893 10.245 1.00 1.00 H new ATOM 355 N GLY A 54 23.406 10.750 8.186 1.00 1.00 N ATOM 356 CA GLY A 54 24.457 10.203 7.321 1.00 1.00 C ATOM 357 C GLY A 54 25.241 9.103 8.034 1.00 1.00 C ATOM 358 O GLY A 54 26.442 8.945 7.818 1.00 1.00 O ATOM 0 H GLY A 54 22.559 11.032 7.693 1.00 1.00 H new ATOM 0 HA2 GLY A 54 24.011 9.804 6.410 1.00 1.00 H new ATOM 0 HA3 GLY A 54 25.136 11.001 7.020 1.00 1.00 H new ATOM 362 N ARG A 55 24.558 8.367 8.907 1.00 1.00 N ATOM 363 CA ARG A 55 25.206 7.304 9.663 1.00 1.00 C ATOM 364 C ARG A 55 25.553 6.138 8.747 1.00 1.00 C ATOM 365 O ARG A 55 26.719 5.776 8.602 1.00 1.00 O ATOM 366 CB ARG A 55 24.282 6.818 10.785 1.00 1.00 C ATOM 367 CG ARG A 55 23.548 8.005 11.399 1.00 1.00 C ATOM 368 CD ARG A 55 22.863 7.575 12.690 1.00 1.00 C ATOM 369 NE ARG A 55 21.942 6.475 12.436 1.00 1.00 N ATOM 370 CZ ARG A 55 21.282 5.888 13.428 1.00 1.00 C ATOM 371 NH1 ARG A 55 21.446 6.299 14.655 1.00 1.00 N ATOM 372 NH2 ARG A 55 20.468 4.899 13.175 1.00 1.00 N ATOM 0 H ARG A 55 23.565 8.487 9.106 1.00 1.00 H new ATOM 0 HA ARG A 55 26.124 7.699 10.098 1.00 1.00 H new ATOM 0 HB2 ARG A 55 23.564 6.099 10.391 1.00 1.00 H new ATOM 0 HB3 ARG A 55 24.863 6.303 11.550 1.00 1.00 H new ATOM 0 HG2 ARG A 55 24.250 8.814 11.601 1.00 1.00 H new ATOM 0 HG3 ARG A 55 22.810 8.391 10.696 1.00 1.00 H new ATOM 0 HD2 ARG A 55 23.611 7.269 13.421 1.00 1.00 H new ATOM 0 HD3 ARG A 55 22.322 8.418 13.120 1.00 1.00 H new ATOM 0 HE ARG A 55 21.802 6.150 11.479 1.00 1.00 H new ATOM 0 HH11 ARG A 55 22.081 7.072 14.853 1.00 1.00 H new ATOM 0 HH12 ARG A 55 20.939 5.848 15.416 1.00 1.00 H new ATOM 0 HH21 ARG A 55 20.339 4.577 12.216 1.00 1.00 H new ATOM 0 HH22 ARG A 55 19.961 4.448 13.937 1.00 1.00 H new ATOM 386 N ALA A 56 24.530 5.554 8.128 1.00 1.00 N ATOM 387 CA ALA A 56 24.736 4.424 7.228 1.00 1.00 C ATOM 388 C ALA A 56 23.398 3.806 6.838 1.00 1.00 C ATOM 389 O ALA A 56 23.097 3.652 5.655 1.00 1.00 O ATOM 390 CB ALA A 56 25.614 3.367 7.911 1.00 1.00 C ATOM 0 H ALA A 56 23.557 5.842 8.232 1.00 1.00 H new ATOM 0 HA ALA A 56 25.235 4.781 6.327 1.00 1.00 H new ATOM 0 HB1 ALA A 56 25.764 2.526 7.234 1.00 1.00 H new ATOM 0 HB2 ALA A 56 26.579 3.805 8.165 1.00 1.00 H new ATOM 0 HB3 ALA A 56 25.123 3.018 8.820 1.00 1.00 H new ATOM 396 N ARG A 57 22.597 3.452 7.839 1.00 1.00 N ATOM 397 CA ARG A 57 21.285 2.856 7.588 1.00 1.00 C ATOM 398 C ARG A 57 20.188 3.892 7.778 1.00 1.00 C ATOM 399 O ARG A 57 19.239 3.952 6.996 1.00 1.00 O ATOM 400 CB ARG A 57 21.058 1.677 8.541 1.00 1.00 C ATOM 401 CG ARG A 57 19.723 1.006 8.210 1.00 1.00 C ATOM 402 CD ARG A 57 19.498 -0.174 9.153 1.00 1.00 C ATOM 403 NE ARG A 57 18.218 -0.812 8.864 1.00 1.00 N ATOM 404 CZ ARG A 57 17.087 -0.353 9.392 1.00 1.00 C ATOM 405 NH1 ARG A 57 17.112 0.686 10.182 1.00 1.00 N ATOM 406 NH2 ARG A 57 15.955 -0.941 9.121 1.00 1.00 N ATOM 0 H ARG A 57 22.830 3.566 8.826 1.00 1.00 H new ATOM 0 HA ARG A 57 21.254 2.498 6.559 1.00 1.00 H new ATOM 0 HB2 ARG A 57 21.872 0.958 8.448 1.00 1.00 H new ATOM 0 HB3 ARG A 57 21.057 2.025 9.574 1.00 1.00 H new ATOM 0 HG2 ARG A 57 18.909 1.724 8.308 1.00 1.00 H new ATOM 0 HG3 ARG A 57 19.723 0.663 7.175 1.00 1.00 H new ATOM 0 HD2 ARG A 57 20.306 -0.897 9.042 1.00 1.00 H new ATOM 0 HD3 ARG A 57 19.517 0.169 10.187 1.00 1.00 H new ATOM 0 HE ARG A 57 18.190 -1.624 8.247 1.00 1.00 H new ATOM 0 HH11 ARG A 57 17.998 1.145 10.394 1.00 1.00 H new ATOM 0 HH12 ARG A 57 16.245 1.039 10.588 1.00 1.00 H new ATOM 0 HH21 ARG A 57 15.937 -1.753 8.504 1.00 1.00 H new ATOM 0 HH22 ARG A 57 15.088 -0.589 9.526 1.00 1.00 H new ATOM 420 N ALA A 58 20.323 4.710 8.817 1.00 1.00 N ATOM 421 CA ALA A 58 19.333 5.744 9.095 1.00 1.00 C ATOM 422 C ALA A 58 19.172 6.652 7.883 1.00 1.00 C ATOM 423 O ALA A 58 18.076 7.011 7.518 1.00 1.00 O ATOM 424 CB ALA A 58 19.771 6.574 10.301 1.00 1.00 C ATOM 0 H ALA A 58 21.101 4.678 9.475 1.00 1.00 H new ATOM 0 HA ALA A 58 18.378 5.266 9.314 1.00 1.00 H new ATOM 0 HB1 ALA A 58 19.026 7.344 10.502 1.00 1.00 H new ATOM 0 HB2 ALA A 58 19.868 5.926 11.172 1.00 1.00 H new ATOM 0 HB3 ALA A 58 20.731 7.044 10.090 1.00 1.00 H new ATOM 430 N GLU A 59 20.280 6.997 7.246 1.00 1.00 N ATOM 431 CA GLU A 59 20.239 7.856 6.065 1.00 1.00 C ATOM 432 C GLU A 59 19.147 7.401 5.111 1.00 1.00 C ATOM 433 O GLU A 59 18.369 8.214 4.631 1.00 1.00 O ATOM 434 CB GLU A 59 21.591 7.825 5.348 1.00 1.00 C ATOM 435 CG GLU A 59 22.093 6.383 5.261 1.00 1.00 C ATOM 436 CD GLU A 59 23.488 6.350 4.657 1.00 1.00 C ATOM 437 OE1 GLU A 59 24.279 7.211 5.002 1.00 1.00 O ATOM 438 OE2 GLU A 59 23.745 5.464 3.859 1.00 1.00 O ATOM 0 H GLU A 59 21.216 6.699 7.522 1.00 1.00 H new ATOM 0 HA GLU A 59 20.023 8.874 6.388 1.00 1.00 H new ATOM 0 HB2 GLU A 59 21.493 8.248 4.348 1.00 1.00 H new ATOM 0 HB3 GLU A 59 22.313 8.440 5.885 1.00 1.00 H new ATOM 0 HG2 GLU A 59 22.108 5.935 6.254 1.00 1.00 H new ATOM 0 HG3 GLU A 59 21.411 5.789 4.653 1.00 1.00 H new ATOM 445 N LEU A 60 19.090 6.098 4.859 1.00 1.00 N ATOM 446 CA LEU A 60 18.073 5.545 3.969 1.00 1.00 C ATOM 447 C LEU A 60 16.720 6.212 4.220 1.00 1.00 C ATOM 448 O LEU A 60 15.813 6.137 3.396 1.00 1.00 O ATOM 449 CB LEU A 60 17.946 4.040 4.207 1.00 1.00 C ATOM 450 CG LEU A 60 17.258 3.380 2.998 1.00 1.00 C ATOM 451 CD1 LEU A 60 18.302 3.044 1.929 1.00 1.00 C ATOM 452 CD2 LEU A 60 16.554 2.100 3.447 1.00 1.00 C ATOM 0 H LEU A 60 19.730 5.409 5.254 1.00 1.00 H new ATOM 0 HA LEU A 60 18.374 5.733 2.938 1.00 1.00 H new ATOM 0 HB2 LEU A 60 18.932 3.602 4.360 1.00 1.00 H new ATOM 0 HB3 LEU A 60 17.369 3.853 5.113 1.00 1.00 H new ATOM 0 HG LEU A 60 16.525 4.070 2.580 1.00 1.00 H new ATOM 0 HD11 LEU A 60 17.811 2.577 1.075 1.00 1.00 H new ATOM 0 HD12 LEU A 60 18.800 3.959 1.606 1.00 1.00 H new ATOM 0 HD13 LEU A 60 19.039 2.357 2.344 1.00 1.00 H new ATOM 0 HD21 LEU A 60 16.067 1.633 2.591 1.00 1.00 H new ATOM 0 HD22 LEU A 60 17.286 1.411 3.869 1.00 1.00 H new ATOM 0 HD23 LEU A 60 15.806 2.342 4.202 1.00 1.00 H new ATOM 464 N PHE A 61 16.595 6.869 5.362 1.00 1.00 N ATOM 465 CA PHE A 61 15.362 7.536 5.710 1.00 1.00 C ATOM 466 C PHE A 61 14.870 8.410 4.569 1.00 1.00 C ATOM 467 O PHE A 61 13.720 8.315 4.165 1.00 1.00 O ATOM 468 CB PHE A 61 15.578 8.420 6.966 1.00 1.00 C ATOM 469 CG PHE A 61 15.191 7.658 8.215 1.00 1.00 C ATOM 470 CD1 PHE A 61 13.905 7.107 8.326 1.00 1.00 C ATOM 471 CD2 PHE A 61 16.111 7.494 9.257 1.00 1.00 C ATOM 472 CE1 PHE A 61 13.546 6.395 9.465 1.00 1.00 C ATOM 473 CE2 PHE A 61 15.748 6.783 10.397 1.00 1.00 C ATOM 474 CZ PHE A 61 14.466 6.230 10.502 1.00 1.00 C ATOM 0 H PHE A 61 17.335 6.952 6.060 1.00 1.00 H new ATOM 0 HA PHE A 61 14.613 6.771 5.914 1.00 1.00 H new ATOM 0 HB2 PHE A 61 16.622 8.728 7.028 1.00 1.00 H new ATOM 0 HB3 PHE A 61 14.982 9.329 6.887 1.00 1.00 H new ATOM 0 HD1 PHE A 61 13.193 7.236 7.525 1.00 1.00 H new ATOM 0 HD2 PHE A 61 17.101 7.918 9.177 1.00 1.00 H new ATOM 0 HE1 PHE A 61 12.557 5.970 9.547 1.00 1.00 H new ATOM 0 HE2 PHE A 61 16.457 6.658 11.202 1.00 1.00 H new ATOM 0 HZ PHE A 61 14.189 5.675 11.386 1.00 1.00 H new ATOM 484 N GLU A 62 15.742 9.255 4.056 1.00 1.00 N ATOM 485 CA GLU A 62 15.377 10.144 2.959 1.00 1.00 C ATOM 486 C GLU A 62 14.973 9.340 1.725 1.00 1.00 C ATOM 487 O GLU A 62 14.034 9.710 1.026 1.00 1.00 O ATOM 488 CB GLU A 62 16.564 11.068 2.613 1.00 1.00 C ATOM 489 CG GLU A 62 17.873 10.396 3.018 1.00 1.00 C ATOM 490 CD GLU A 62 19.049 11.106 2.367 1.00 1.00 C ATOM 491 OE1 GLU A 62 18.921 11.481 1.215 1.00 1.00 O ATOM 492 OE2 GLU A 62 20.062 11.258 3.027 1.00 1.00 O ATOM 0 H GLU A 62 16.706 9.349 4.376 1.00 1.00 H new ATOM 0 HA GLU A 62 14.527 10.749 3.274 1.00 1.00 H new ATOM 0 HB2 GLU A 62 16.570 11.284 1.545 1.00 1.00 H new ATOM 0 HB3 GLU A 62 16.458 12.022 3.130 1.00 1.00 H new ATOM 0 HG2 GLU A 62 17.981 10.417 4.102 1.00 1.00 H new ATOM 0 HG3 GLU A 62 17.860 9.348 2.719 1.00 1.00 H new ATOM 499 N LYS A 63 15.697 8.259 1.463 1.00 1.00 N ATOM 500 CA LYS A 63 15.409 7.423 0.305 1.00 1.00 C ATOM 501 C LYS A 63 14.004 6.835 0.414 1.00 1.00 C ATOM 502 O LYS A 63 13.254 6.793 -0.558 1.00 1.00 O ATOM 503 CB LYS A 63 16.439 6.293 0.209 1.00 1.00 C ATOM 504 CG LYS A 63 17.723 6.814 -0.442 1.00 1.00 C ATOM 505 CD LYS A 63 18.362 7.872 0.456 1.00 1.00 C ATOM 506 CE LYS A 63 19.770 8.183 -0.041 1.00 1.00 C ATOM 507 NZ LYS A 63 20.385 9.229 0.825 1.00 1.00 N ATOM 0 H LYS A 63 16.482 7.942 2.032 1.00 1.00 H new ATOM 0 HA LYS A 63 15.465 8.037 -0.594 1.00 1.00 H new ATOM 0 HB2 LYS A 63 16.657 5.902 1.203 1.00 1.00 H new ATOM 0 HB3 LYS A 63 16.033 5.468 -0.376 1.00 1.00 H new ATOM 0 HG2 LYS A 63 18.420 5.992 -0.604 1.00 1.00 H new ATOM 0 HG3 LYS A 63 17.500 7.240 -1.420 1.00 1.00 H new ATOM 0 HD2 LYS A 63 17.757 8.778 0.455 1.00 1.00 H new ATOM 0 HD3 LYS A 63 18.399 7.515 1.485 1.00 1.00 H new ATOM 0 HE2 LYS A 63 20.380 7.280 -0.027 1.00 1.00 H new ATOM 0 HE3 LYS A 63 19.734 8.527 -1.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 21.387 9.344 0.572 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 19.887 10.132 0.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 20.310 8.943 1.822 1.00 1.00 H new ATOM 521 N GLN A 64 13.658 6.370 1.602 1.00 1.00 N ATOM 522 CA GLN A 64 12.340 5.789 1.824 1.00 1.00 C ATOM 523 C GLN A 64 11.257 6.840 1.616 1.00 1.00 C ATOM 524 O GLN A 64 10.198 6.556 1.052 1.00 1.00 O ATOM 525 CB GLN A 64 12.246 5.237 3.245 1.00 1.00 C ATOM 526 CG GLN A 64 13.114 3.985 3.370 1.00 1.00 C ATOM 527 CD GLN A 64 12.482 2.836 2.592 1.00 1.00 C ATOM 528 OE1 GLN A 64 12.721 2.692 1.393 1.00 1.00 O ATOM 529 NE2 GLN A 64 11.684 2.006 3.206 1.00 1.00 N ATOM 0 H GLN A 64 14.263 6.382 2.423 1.00 1.00 H new ATOM 0 HA GLN A 64 12.193 4.979 1.109 1.00 1.00 H new ATOM 0 HB2 GLN A 64 12.573 5.991 3.961 1.00 1.00 H new ATOM 0 HB3 GLN A 64 11.210 4.998 3.485 1.00 1.00 H new ATOM 0 HG2 GLN A 64 14.115 4.186 2.989 1.00 1.00 H new ATOM 0 HG3 GLN A 64 13.222 3.710 4.419 1.00 1.00 H new ATOM 0 HE21 GLN A 64 11.488 2.128 4.200 1.00 1.00 H new ATOM 0 HE22 GLN A 64 11.256 1.235 2.692 1.00 1.00 H new ATOM 538 N ILE A 65 11.516 8.050 2.091 1.00 1.00 N ATOM 539 CA ILE A 65 10.543 9.122 1.961 1.00 1.00 C ATOM 540 C ILE A 65 10.309 9.471 0.494 1.00 1.00 C ATOM 541 O ILE A 65 9.167 9.500 0.031 1.00 1.00 O ATOM 542 CB ILE A 65 11.039 10.361 2.707 1.00 1.00 C ATOM 543 CG1 ILE A 65 11.135 10.052 4.210 1.00 1.00 C ATOM 544 CG2 ILE A 65 10.054 11.545 2.502 1.00 1.00 C ATOM 545 CD1 ILE A 65 11.981 11.125 4.912 1.00 1.00 C ATOM 0 H ILE A 65 12.381 8.311 2.564 1.00 1.00 H new ATOM 0 HA ILE A 65 9.600 8.784 2.392 1.00 1.00 H new ATOM 0 HB ILE A 65 12.019 10.634 2.316 1.00 1.00 H new ATOM 0 HG12 ILE A 65 10.137 10.019 4.648 1.00 1.00 H new ATOM 0 HG13 ILE A 65 11.581 9.069 4.360 1.00 1.00 H new ATOM 0 HG21 ILE A 65 10.420 12.420 3.039 1.00 1.00 H new ATOM 0 HG22 ILE A 65 9.979 11.776 1.439 1.00 1.00 H new ATOM 0 HG23 ILE A 65 9.071 11.270 2.884 1.00 1.00 H new ATOM 0 HD11 ILE A 65 12.045 10.899 5.977 1.00 1.00 H new ATOM 0 HD12 ILE A 65 12.983 11.136 4.483 1.00 1.00 H new ATOM 0 HD13 ILE A 65 11.517 12.102 4.775 1.00 1.00 H new ATOM 557 N VAL A 66 11.386 9.766 -0.221 1.00 1.00 N ATOM 558 CA VAL A 66 11.279 10.142 -1.624 1.00 1.00 C ATOM 559 C VAL A 66 10.731 8.978 -2.438 1.00 1.00 C ATOM 560 O VAL A 66 9.902 9.168 -3.327 1.00 1.00 O ATOM 561 CB VAL A 66 12.653 10.548 -2.165 1.00 1.00 C ATOM 562 CG1 VAL A 66 13.200 11.718 -1.345 1.00 1.00 C ATOM 563 CG2 VAL A 66 13.607 9.367 -2.056 1.00 1.00 C ATOM 0 H VAL A 66 12.338 9.753 0.144 1.00 1.00 H new ATOM 0 HA VAL A 66 10.597 10.988 -1.708 1.00 1.00 H new ATOM 0 HB VAL A 66 12.558 10.848 -3.209 1.00 1.00 H new ATOM 0 HG11 VAL A 66 14.178 12.007 -1.730 1.00 1.00 H new ATOM 0 HG12 VAL A 66 12.517 12.564 -1.418 1.00 1.00 H new ATOM 0 HG13 VAL A 66 13.295 11.418 -0.302 1.00 1.00 H new ATOM 0 HG21 VAL A 66 14.586 9.653 -2.441 1.00 1.00 H new ATOM 0 HG22 VAL A 66 13.700 9.070 -1.011 1.00 1.00 H new ATOM 0 HG23 VAL A 66 13.219 8.531 -2.638 1.00 1.00 H new ATOM 573 N GLN A 67 11.191 7.776 -2.121 1.00 1.00 N ATOM 574 CA GLN A 67 10.735 6.585 -2.825 1.00 1.00 C ATOM 575 C GLN A 67 9.226 6.428 -2.675 1.00 1.00 C ATOM 576 O GLN A 67 8.586 5.706 -3.439 1.00 1.00 O ATOM 577 CB GLN A 67 11.437 5.345 -2.266 1.00 1.00 C ATOM 578 CG GLN A 67 10.971 4.101 -3.028 1.00 1.00 C ATOM 579 CD GLN A 67 11.779 2.888 -2.591 1.00 1.00 C ATOM 580 OE1 GLN A 67 12.019 2.698 -1.399 1.00 1.00 O ATOM 581 NE2 GLN A 67 12.208 2.044 -3.489 1.00 1.00 N ATOM 0 H GLN A 67 11.875 7.600 -1.386 1.00 1.00 H new ATOM 0 HA GLN A 67 10.979 6.692 -3.882 1.00 1.00 H new ATOM 0 HB2 GLN A 67 12.518 5.455 -2.356 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.215 5.237 -1.204 1.00 1.00 H new ATOM 0 HG2 GLN A 67 9.911 3.927 -2.843 1.00 1.00 H new ATOM 0 HG3 GLN A 67 11.086 4.257 -4.101 1.00 1.00 H new ATOM 0 HE21 GLN A 67 12.008 2.204 -4.476 1.00 1.00 H new ATOM 0 HE22 GLN A 67 12.744 1.224 -3.204 1.00 1.00 H new ATOM 590 N HIS A 68 8.660 7.103 -1.678 1.00 1.00 N ATOM 591 CA HIS A 68 7.220 7.021 -1.430 1.00 1.00 C ATOM 592 C HIS A 68 6.502 8.204 -2.064 1.00 1.00 C ATOM 593 O HIS A 68 5.284 8.335 -1.951 1.00 1.00 O ATOM 594 CB HIS A 68 6.953 7.004 0.074 1.00 1.00 C ATOM 595 CG HIS A 68 7.585 5.782 0.680 1.00 1.00 C ATOM 596 ND1 HIS A 68 7.762 5.643 2.048 1.00 1.00 N ATOM 597 CD2 HIS A 68 8.092 4.633 0.120 1.00 1.00 C ATOM 598 CE1 HIS A 68 8.350 4.451 2.262 1.00 1.00 C ATOM 599 NE2 HIS A 68 8.572 3.797 1.121 1.00 1.00 N ATOM 0 H HIS A 68 9.169 7.708 -1.033 1.00 1.00 H new ATOM 0 HA HIS A 68 6.842 6.101 -1.876 1.00 1.00 H new ATOM 0 HB2 HIS A 68 7.358 7.904 0.537 1.00 1.00 H new ATOM 0 HB3 HIS A 68 5.880 7.004 0.264 1.00 1.00 H new ATOM 0 HD2 HIS A 68 8.114 4.414 -0.937 1.00 1.00 H new ATOM 0 HE1 HIS A 68 8.610 4.071 3.239 1.00 1.00 H new ATOM 0 HE2 HIS A 68 9.002 2.879 1.007 1.00 1.00 H new ATOM 608 N GLY A 69 7.261 9.059 -2.743 1.00 1.00 N ATOM 609 CA GLY A 69 6.681 10.227 -3.404 1.00 1.00 C ATOM 610 C GLY A 69 6.816 11.471 -2.535 1.00 1.00 C ATOM 611 O GLY A 69 6.379 12.555 -2.919 1.00 1.00 O ATOM 0 H GLY A 69 8.271 8.968 -2.851 1.00 1.00 H new ATOM 0 HA2 GLY A 69 7.178 10.392 -4.360 1.00 1.00 H new ATOM 0 HA3 GLY A 69 5.629 10.042 -3.619 1.00 1.00 H new ATOM 615 N GLY A 70 7.424 11.309 -1.366 1.00 1.00 N ATOM 616 CA GLY A 70 7.614 12.432 -0.450 1.00 1.00 C ATOM 617 C GLY A 70 8.958 13.110 -0.698 1.00 1.00 C ATOM 618 O GLY A 70 9.996 12.655 -0.227 1.00 1.00 O ATOM 0 H GLY A 70 7.792 10.419 -1.030 1.00 1.00 H new ATOM 0 HA2 GLY A 70 6.808 13.154 -0.580 1.00 1.00 H new ATOM 0 HA3 GLY A 70 7.564 12.080 0.580 1.00 1.00 H new ATOM 622 N GLN A 71 8.929 14.204 -1.450 1.00 1.00 N ATOM 623 CA GLN A 71 10.151 14.934 -1.765 1.00 1.00 C ATOM 624 C GLN A 71 10.682 15.648 -0.528 1.00 1.00 C ATOM 625 O GLN A 71 9.913 16.114 0.310 1.00 1.00 O ATOM 626 CB GLN A 71 9.880 15.961 -2.862 1.00 1.00 C ATOM 627 CG GLN A 71 9.535 15.239 -4.165 1.00 1.00 C ATOM 628 CD GLN A 71 9.171 16.252 -5.244 1.00 1.00 C ATOM 629 OE1 GLN A 71 8.166 16.955 -5.125 1.00 1.00 O ATOM 630 NE2 GLN A 71 9.932 16.373 -6.297 1.00 1.00 N ATOM 0 H GLN A 71 8.080 14.603 -1.850 1.00 1.00 H new ATOM 0 HA GLN A 71 10.897 14.218 -2.111 1.00 1.00 H new ATOM 0 HB2 GLN A 71 9.059 16.614 -2.568 1.00 1.00 H new ATOM 0 HB3 GLN A 71 10.755 16.594 -3.006 1.00 1.00 H new ATOM 0 HG2 GLN A 71 10.383 14.637 -4.492 1.00 1.00 H new ATOM 0 HG3 GLN A 71 8.702 14.555 -4.001 1.00 1.00 H new ATOM 0 HE21 GLN A 71 10.764 15.791 -6.395 1.00 1.00 H new ATOM 0 HE22 GLN A 71 9.695 17.050 -7.022 1.00 1.00 H new ATOM 639 N LEU A 72 12.003 15.729 -0.420 1.00 1.00 N ATOM 640 CA LEU A 72 12.638 16.387 0.723 1.00 1.00 C ATOM 641 C LEU A 72 13.787 17.273 0.254 1.00 1.00 C ATOM 642 O LEU A 72 14.357 17.061 -0.816 1.00 1.00 O ATOM 643 CB LEU A 72 13.157 15.337 1.723 1.00 1.00 C ATOM 644 CG LEU A 72 13.551 14.067 0.972 1.00 1.00 C ATOM 645 CD1 LEU A 72 14.679 14.383 -0.025 1.00 1.00 C ATOM 646 CD2 LEU A 72 14.029 13.021 1.968 1.00 1.00 C ATOM 0 H LEU A 72 12.656 15.350 -1.106 1.00 1.00 H new ATOM 0 HA LEU A 72 11.894 17.010 1.220 1.00 1.00 H new ATOM 0 HB2 LEU A 72 14.015 15.731 2.267 1.00 1.00 H new ATOM 0 HB3 LEU A 72 12.388 15.111 2.461 1.00 1.00 H new ATOM 0 HG LEU A 72 12.688 13.685 0.427 1.00 1.00 H new ATOM 0 HD11 LEU A 72 14.958 13.475 -0.559 1.00 1.00 H new ATOM 0 HD12 LEU A 72 14.335 15.132 -0.738 1.00 1.00 H new ATOM 0 HD13 LEU A 72 15.545 14.767 0.515 1.00 1.00 H new ATOM 0 HD21 LEU A 72 14.311 12.113 1.435 1.00 1.00 H new ATOM 0 HD22 LEU A 72 14.892 13.405 2.513 1.00 1.00 H new ATOM 0 HD23 LEU A 72 13.227 12.795 2.671 1.00 1.00 H new ATOM 658 N CYS A 73 14.127 18.264 1.069 1.00 1.00 N ATOM 659 CA CYS A 73 15.214 19.167 0.732 1.00 1.00 C ATOM 660 C CYS A 73 15.679 19.933 1.970 1.00 1.00 C ATOM 661 O CYS A 73 14.929 20.097 2.931 1.00 1.00 O ATOM 662 CB CYS A 73 14.751 20.161 -0.353 1.00 1.00 C ATOM 663 SG CYS A 73 15.350 19.620 -1.976 1.00 1.00 S ATOM 0 H CYS A 73 13.669 18.460 1.959 1.00 1.00 H new ATOM 0 HA CYS A 73 16.049 18.579 0.352 1.00 1.00 H new ATOM 0 HB2 CYS A 73 13.663 20.226 -0.360 1.00 1.00 H new ATOM 0 HB3 CYS A 73 15.128 21.159 -0.130 1.00 1.00 H new ATOM 0 HG CYS A 73 15.067 18.363 -2.146 1.00 1.00 H new ATOM 669 N PRO A 74 16.885 20.434 1.941 1.00 1.00 N ATOM 670 CA PRO A 74 17.461 21.229 3.065 1.00 1.00 C ATOM 671 C PRO A 74 16.680 22.522 3.310 1.00 1.00 C ATOM 672 O PRO A 74 15.497 22.606 3.002 1.00 1.00 O ATOM 673 CB PRO A 74 18.905 21.525 2.602 1.00 1.00 C ATOM 674 CG PRO A 74 18.883 21.357 1.118 1.00 1.00 C ATOM 675 CD PRO A 74 17.845 20.285 0.831 1.00 1.00 C ATOM 0 HA PRO A 74 17.420 20.694 4.014 1.00 1.00 H new ATOM 0 HB2 PRO A 74 19.208 22.535 2.879 1.00 1.00 H new ATOM 0 HB3 PRO A 74 19.615 20.840 3.065 1.00 1.00 H new ATOM 0 HG2 PRO A 74 18.624 22.293 0.624 1.00 1.00 H new ATOM 0 HG3 PRO A 74 19.863 21.060 0.745 1.00 1.00 H new ATOM 0 HD2 PRO A 74 17.367 20.437 -0.137 1.00 1.00 H new ATOM 0 HD3 PRO A 74 18.289 19.290 0.814 1.00 1.00 H new ATOM 683 N ALA A 75 17.358 23.523 3.862 1.00 1.00 N ATOM 684 CA ALA A 75 16.727 24.802 4.134 1.00 1.00 C ATOM 685 C ALA A 75 15.944 25.280 2.918 1.00 1.00 C ATOM 686 O ALA A 75 14.983 26.035 3.047 1.00 1.00 O ATOM 687 CB ALA A 75 17.796 25.840 4.497 1.00 1.00 C ATOM 0 H ALA A 75 18.341 23.470 4.128 1.00 1.00 H new ATOM 0 HA ALA A 75 16.038 24.680 4.970 1.00 1.00 H new ATOM 0 HB1 ALA A 75 17.318 26.798 4.700 1.00 1.00 H new ATOM 0 HB2 ALA A 75 18.338 25.509 5.383 1.00 1.00 H new ATOM 0 HB3 ALA A 75 18.493 25.951 3.666 1.00 1.00 H new ATOM 693 N GLN A 76 16.367 24.840 1.735 1.00 1.00 N ATOM 694 CA GLN A 76 15.698 25.235 0.501 1.00 1.00 C ATOM 695 C GLN A 76 14.291 24.654 0.454 1.00 1.00 C ATOM 696 O GLN A 76 13.434 25.142 -0.281 1.00 1.00 O ATOM 697 CB GLN A 76 16.495 24.740 -0.706 1.00 1.00 C ATOM 698 CG GLN A 76 17.876 25.397 -0.706 1.00 1.00 C ATOM 699 CD GLN A 76 18.720 24.837 -1.846 1.00 1.00 C ATOM 700 OE1 GLN A 76 18.279 24.815 -2.994 1.00 1.00 O ATOM 701 NE2 GLN A 76 19.912 24.370 -1.592 1.00 1.00 N ATOM 0 H GLN A 76 17.163 24.215 1.606 1.00 1.00 H new ATOM 0 HA GLN A 76 15.635 26.323 0.472 1.00 1.00 H new ATOM 0 HB2 GLN A 76 16.596 23.655 -0.669 1.00 1.00 H new ATOM 0 HB3 GLN A 76 15.966 24.980 -1.628 1.00 1.00 H new ATOM 0 HG2 GLN A 76 17.774 26.477 -0.814 1.00 1.00 H new ATOM 0 HG3 GLN A 76 18.373 25.218 0.247 1.00 1.00 H new ATOM 0 HE21 GLN A 76 20.275 24.390 -0.639 1.00 1.00 H new ATOM 0 HE22 GLN A 76 20.481 23.985 -2.347 1.00 1.00 H new ATOM 710 N GLY A 77 14.059 23.610 1.250 1.00 1.00 N ATOM 711 CA GLY A 77 12.755 22.962 1.306 1.00 1.00 C ATOM 712 C GLY A 77 11.627 24.001 1.195 1.00 1.00 C ATOM 713 O GLY A 77 11.341 24.720 2.157 1.00 1.00 O ATOM 0 H GLY A 77 14.760 23.197 1.865 1.00 1.00 H new ATOM 0 HA2 GLY A 77 12.669 22.236 0.497 1.00 1.00 H new ATOM 0 HA3 GLY A 77 12.657 22.410 2.241 1.00 1.00 H new ATOM 717 N PRO A 78 10.997 24.102 0.056 1.00 1.00 N ATOM 718 CA PRO A 78 9.892 25.074 -0.167 1.00 1.00 C ATOM 719 C PRO A 78 8.828 24.987 0.923 1.00 1.00 C ATOM 720 O PRO A 78 8.153 25.972 1.224 1.00 1.00 O ATOM 721 CB PRO A 78 9.315 24.653 -1.528 1.00 1.00 C ATOM 722 CG PRO A 78 10.434 23.958 -2.235 1.00 1.00 C ATOM 723 CD PRO A 78 11.281 23.310 -1.151 1.00 1.00 C ATOM 0 HA PRO A 78 10.239 26.107 -0.145 1.00 1.00 H new ATOM 0 HB2 PRO A 78 8.458 23.991 -1.404 1.00 1.00 H new ATOM 0 HB3 PRO A 78 8.970 25.519 -2.094 1.00 1.00 H new ATOM 0 HG2 PRO A 78 10.051 23.210 -2.929 1.00 1.00 H new ATOM 0 HG3 PRO A 78 11.023 24.664 -2.820 1.00 1.00 H new ATOM 0 HD2 PRO A 78 11.014 22.262 -1.011 1.00 1.00 H new ATOM 0 HD3 PRO A 78 12.341 23.338 -1.405 1.00 1.00 H new ATOM 731 N GLY A 79 8.678 23.802 1.504 1.00 1.00 N ATOM 732 CA GLY A 79 7.686 23.599 2.556 1.00 1.00 C ATOM 733 C GLY A 79 8.116 22.494 3.508 1.00 1.00 C ATOM 734 O GLY A 79 7.430 21.483 3.651 1.00 1.00 O ATOM 0 H GLY A 79 9.224 22.974 1.268 1.00 1.00 H new ATOM 0 HA2 GLY A 79 7.545 24.527 3.111 1.00 1.00 H new ATOM 0 HA3 GLY A 79 6.725 23.345 2.110 1.00 1.00 H new ATOM 738 N VAL A 80 9.255 22.693 4.165 1.00 1.00 N ATOM 739 CA VAL A 80 9.760 21.708 5.116 1.00 1.00 C ATOM 740 C VAL A 80 9.254 22.023 6.522 1.00 1.00 C ATOM 741 O VAL A 80 9.812 22.857 7.234 1.00 1.00 O ATOM 742 CB VAL A 80 11.293 21.707 5.105 1.00 1.00 C ATOM 743 CG1 VAL A 80 11.811 23.149 5.069 1.00 1.00 C ATOM 744 CG2 VAL A 80 11.819 21.004 6.369 1.00 1.00 C ATOM 0 H VAL A 80 9.842 23.520 4.058 1.00 1.00 H new ATOM 0 HA VAL A 80 9.399 20.722 4.823 1.00 1.00 H new ATOM 0 HB VAL A 80 11.645 21.175 4.221 1.00 1.00 H new ATOM 0 HG11 VAL A 80 12.901 23.144 5.061 1.00 1.00 H new ATOM 0 HG12 VAL A 80 11.444 23.645 4.170 1.00 1.00 H new ATOM 0 HG13 VAL A 80 11.457 23.685 5.950 1.00 1.00 H new ATOM 0 HG21 VAL A 80 12.909 21.005 6.359 1.00 1.00 H new ATOM 0 HG22 VAL A 80 11.464 21.533 7.254 1.00 1.00 H new ATOM 0 HG23 VAL A 80 11.457 19.976 6.391 1.00 1.00 H new ATOM 754 N THR A 81 8.194 21.352 6.925 1.00 1.00 N ATOM 755 CA THR A 81 7.628 21.572 8.256 1.00 1.00 C ATOM 756 C THR A 81 8.155 20.534 9.235 1.00 1.00 C ATOM 757 O THR A 81 8.092 20.725 10.440 1.00 1.00 O ATOM 758 CB THR A 81 6.100 21.479 8.194 1.00 1.00 C ATOM 759 OG1 THR A 81 5.601 21.054 9.456 1.00 1.00 O ATOM 760 CG2 THR A 81 5.689 20.471 7.118 1.00 1.00 C ATOM 0 H THR A 81 7.706 20.655 6.363 1.00 1.00 H new ATOM 0 HA THR A 81 7.921 22.565 8.597 1.00 1.00 H new ATOM 0 HB THR A 81 5.688 22.458 7.949 1.00 1.00 H new ATOM 0 HG1 THR A 81 4.623 20.995 9.418 1.00 1.00 H new ATOM 0 HG21 THR A 81 4.602 20.407 7.076 1.00 1.00 H new ATOM 0 HG22 THR A 81 6.071 20.796 6.150 1.00 1.00 H new ATOM 0 HG23 THR A 81 6.101 19.492 7.361 1.00 1.00 H new ATOM 768 N HIS A 82 8.672 19.432 8.710 1.00 1.00 N ATOM 769 CA HIS A 82 9.199 18.360 9.560 1.00 1.00 C ATOM 770 C HIS A 82 10.709 18.291 9.451 1.00 1.00 C ATOM 771 O HIS A 82 11.260 18.439 8.366 1.00 1.00 O ATOM 772 CB HIS A 82 8.600 17.022 9.135 1.00 1.00 C ATOM 773 CG HIS A 82 7.123 17.025 9.402 1.00 1.00 C ATOM 774 ND1 HIS A 82 6.200 17.444 8.456 1.00 1.00 N ATOM 775 CD2 HIS A 82 6.391 16.663 10.506 1.00 1.00 C ATOM 776 CE1 HIS A 82 4.976 17.325 9.005 1.00 1.00 C ATOM 777 NE2 HIS A 82 5.036 16.854 10.254 1.00 1.00 N ATOM 0 H HIS A 82 8.740 19.252 7.708 1.00 1.00 H new ATOM 0 HA HIS A 82 8.927 18.572 10.594 1.00 1.00 H new ATOM 0 HB2 HIS A 82 8.788 16.848 8.076 1.00 1.00 H new ATOM 0 HB3 HIS A 82 9.077 16.208 9.681 1.00 1.00 H new ATOM 0 HD2 HIS A 82 6.804 16.287 11.430 1.00 1.00 H new ATOM 0 HE1 HIS A 82 4.057 17.579 8.497 1.00 1.00 H new ATOM 0 HE2 HIS A 82 4.256 16.673 10.886 1.00 1.00 H new ATOM 786 N ILE A 83 11.371 18.044 10.581 1.00 1.00 N ATOM 787 CA ILE A 83 12.834 17.932 10.598 1.00 1.00 C ATOM 788 C ILE A 83 13.266 16.679 11.341 1.00 1.00 C ATOM 789 O ILE A 83 13.191 16.614 12.568 1.00 1.00 O ATOM 790 CB ILE A 83 13.443 19.161 11.279 1.00 1.00 C ATOM 791 CG1 ILE A 83 12.903 20.432 10.609 1.00 1.00 C ATOM 792 CG2 ILE A 83 14.963 19.119 11.155 1.00 1.00 C ATOM 793 CD1 ILE A 83 13.451 20.548 9.177 1.00 1.00 C ATOM 0 H ILE A 83 10.925 17.918 11.490 1.00 1.00 H new ATOM 0 HA ILE A 83 13.186 17.871 9.568 1.00 1.00 H new ATOM 0 HB ILE A 83 13.172 19.163 12.335 1.00 1.00 H new ATOM 0 HG12 ILE A 83 11.813 20.407 10.589 1.00 1.00 H new ATOM 0 HG13 ILE A 83 13.191 21.309 11.189 1.00 1.00 H new ATOM 0 HG21 ILE A 83 15.392 19.995 11.641 1.00 1.00 H new ATOM 0 HG22 ILE A 83 15.342 18.216 11.634 1.00 1.00 H new ATOM 0 HG23 ILE A 83 15.242 19.115 10.101 1.00 1.00 H new ATOM 0 HD11 ILE A 83 13.062 21.453 8.711 1.00 1.00 H new ATOM 0 HD12 ILE A 83 14.540 20.594 9.207 1.00 1.00 H new ATOM 0 HD13 ILE A 83 13.141 19.679 8.597 1.00 1.00 H new ATOM 805 N VAL A 84 13.717 15.679 10.592 1.00 1.00 N ATOM 806 CA VAL A 84 14.161 14.422 11.191 1.00 1.00 C ATOM 807 C VAL A 84 15.649 14.470 11.487 1.00 1.00 C ATOM 808 O VAL A 84 16.450 14.847 10.634 1.00 1.00 O ATOM 809 CB VAL A 84 13.865 13.258 10.243 1.00 1.00 C ATOM 810 CG1 VAL A 84 14.100 11.933 10.970 1.00 1.00 C ATOM 811 CG2 VAL A 84 12.399 13.336 9.784 1.00 1.00 C ATOM 0 H VAL A 84 13.785 15.712 9.575 1.00 1.00 H new ATOM 0 HA VAL A 84 13.620 14.275 12.126 1.00 1.00 H new ATOM 0 HB VAL A 84 14.524 13.318 9.377 1.00 1.00 H new ATOM 0 HG11 VAL A 84 13.889 11.105 10.294 1.00 1.00 H new ATOM 0 HG12 VAL A 84 15.138 11.878 11.299 1.00 1.00 H new ATOM 0 HG13 VAL A 84 13.441 11.871 11.836 1.00 1.00 H new ATOM 0 HG21 VAL A 84 12.185 12.508 9.108 1.00 1.00 H new ATOM 0 HG22 VAL A 84 11.742 13.275 10.652 1.00 1.00 H new ATOM 0 HG23 VAL A 84 12.230 14.280 9.266 1.00 1.00 H new ATOM 821 N VAL A 85 16.015 14.083 12.703 1.00 1.00 N ATOM 822 CA VAL A 85 17.422 14.080 13.109 1.00 1.00 C ATOM 823 C VAL A 85 17.781 12.765 13.789 1.00 1.00 C ATOM 824 O VAL A 85 16.904 12.022 14.230 1.00 1.00 O ATOM 825 CB VAL A 85 17.689 15.243 14.065 1.00 1.00 C ATOM 826 CG1 VAL A 85 17.477 16.567 13.329 1.00 1.00 C ATOM 827 CG2 VAL A 85 16.726 15.162 15.250 1.00 1.00 C ATOM 0 H VAL A 85 15.365 13.769 13.423 1.00 1.00 H new ATOM 0 HA VAL A 85 18.040 14.193 12.218 1.00 1.00 H new ATOM 0 HB VAL A 85 18.716 15.186 14.426 1.00 1.00 H new ATOM 0 HG11 VAL A 85 17.667 17.396 14.010 1.00 1.00 H new ATOM 0 HG12 VAL A 85 18.162 16.627 12.484 1.00 1.00 H new ATOM 0 HG13 VAL A 85 16.450 16.622 12.968 1.00 1.00 H new ATOM 0 HG21 VAL A 85 16.917 15.991 15.931 1.00 1.00 H new ATOM 0 HG22 VAL A 85 15.699 15.218 14.889 1.00 1.00 H new ATOM 0 HG23 VAL A 85 16.875 14.219 15.776 1.00 1.00 H new ATOM 837 N ASP A 86 19.076 12.487 13.881 1.00 1.00 N ATOM 838 CA ASP A 86 19.543 11.262 14.518 1.00 1.00 C ATOM 839 C ASP A 86 19.278 11.310 16.021 1.00 1.00 C ATOM 840 O ASP A 86 19.867 10.557 16.792 1.00 1.00 O ATOM 841 CB ASP A 86 21.047 11.081 14.272 1.00 1.00 C ATOM 842 CG ASP A 86 21.565 9.873 15.042 1.00 1.00 C ATOM 843 OD1 ASP A 86 20.907 8.845 15.002 1.00 1.00 O ATOM 844 OD2 ASP A 86 22.603 9.994 15.670 1.00 1.00 O ATOM 0 H ASP A 86 19.818 13.090 13.525 1.00 1.00 H new ATOM 0 HA ASP A 86 19.001 10.421 14.086 1.00 1.00 H new ATOM 0 HB2 ASP A 86 21.235 10.950 13.206 1.00 1.00 H new ATOM 0 HB3 ASP A 86 21.584 11.977 14.583 1.00 1.00 H new ATOM 849 N GLU A 87 18.387 12.200 16.434 1.00 1.00 N ATOM 850 CA GLU A 87 18.051 12.335 17.847 1.00 1.00 C ATOM 851 C GLU A 87 19.224 12.910 18.625 1.00 1.00 C ATOM 852 O GLU A 87 19.051 13.439 19.721 1.00 1.00 O ATOM 853 CB GLU A 87 17.666 10.968 18.431 1.00 1.00 C ATOM 854 CG GLU A 87 16.814 10.180 17.399 1.00 1.00 C ATOM 855 CD GLU A 87 17.654 9.087 16.746 1.00 1.00 C ATOM 856 OE1 GLU A 87 18.342 8.388 17.471 1.00 1.00 O ATOM 857 OE2 GLU A 87 17.616 8.986 15.533 1.00 1.00 O ATOM 0 H GLU A 87 17.885 12.837 15.816 1.00 1.00 H new ATOM 0 HA GLU A 87 17.205 13.016 17.933 1.00 1.00 H new ATOM 0 HB2 GLU A 87 18.564 10.403 18.683 1.00 1.00 H new ATOM 0 HB3 GLU A 87 17.104 11.102 19.355 1.00 1.00 H new ATOM 0 HG2 GLU A 87 15.949 9.737 17.893 1.00 1.00 H new ATOM 0 HG3 GLU A 87 16.433 10.860 16.637 1.00 1.00 H new ATOM 864 N GLY A 88 20.416 12.801 18.050 1.00 1.00 N ATOM 865 CA GLY A 88 21.613 13.314 18.697 1.00 1.00 C ATOM 866 C GLY A 88 21.519 14.820 18.896 1.00 1.00 C ATOM 867 O GLY A 88 21.424 15.304 20.022 1.00 1.00 O ATOM 0 H GLY A 88 20.577 12.364 17.142 1.00 1.00 H new ATOM 0 HA2 GLY A 88 21.749 12.823 19.661 1.00 1.00 H new ATOM 0 HA3 GLY A 88 22.488 13.077 18.092 1.00 1.00 H new ATOM 871 N MET A 89 21.539 15.559 17.796 1.00 1.00 N ATOM 872 CA MET A 89 21.454 17.014 17.865 1.00 1.00 C ATOM 873 C MET A 89 20.112 17.440 18.455 1.00 1.00 C ATOM 874 O MET A 89 19.084 16.815 18.192 1.00 1.00 O ATOM 875 CB MET A 89 21.626 17.613 16.456 1.00 1.00 C ATOM 876 CG MET A 89 20.268 17.682 15.746 1.00 1.00 C ATOM 877 SD MET A 89 20.518 18.015 13.988 1.00 1.00 S ATOM 878 CE MET A 89 21.258 16.423 13.557 1.00 1.00 C ATOM 0 H MET A 89 21.613 15.181 16.852 1.00 1.00 H new ATOM 0 HA MET A 89 22.250 17.384 18.511 1.00 1.00 H new ATOM 0 HB2 MET A 89 22.060 18.610 16.526 1.00 1.00 H new ATOM 0 HB3 MET A 89 22.319 17.004 15.875 1.00 1.00 H new ATOM 0 HG2 MET A 89 19.731 16.743 15.875 1.00 1.00 H new ATOM 0 HG3 MET A 89 19.653 18.465 16.191 1.00 1.00 H new ATOM 0 HE1 MET A 89 20.849 16.077 12.608 1.00 1.00 H new ATOM 0 HE2 MET A 89 22.338 16.536 13.467 1.00 1.00 H new ATOM 0 HE3 MET A 89 21.033 15.694 14.336 1.00 1.00 H new ATOM 888 N ASP A 90 20.121 18.534 19.203 1.00 1.00 N ATOM 889 CA ASP A 90 18.890 19.057 19.785 1.00 1.00 C ATOM 890 C ASP A 90 18.143 19.926 18.774 1.00 1.00 C ATOM 891 O ASP A 90 18.682 20.284 17.725 1.00 1.00 O ATOM 892 CB ASP A 90 19.218 19.884 21.026 1.00 1.00 C ATOM 893 CG ASP A 90 19.692 18.968 22.148 1.00 1.00 C ATOM 894 OD1 ASP A 90 19.480 17.771 22.037 1.00 1.00 O ATOM 895 OD2 ASP A 90 20.260 19.475 23.100 1.00 1.00 O ATOM 0 H ASP A 90 20.959 19.074 19.421 1.00 1.00 H new ATOM 0 HA ASP A 90 18.253 18.217 20.062 1.00 1.00 H new ATOM 0 HB2 ASP A 90 19.990 20.617 20.792 1.00 1.00 H new ATOM 0 HB3 ASP A 90 18.337 20.440 21.346 1.00 1.00 H new ATOM 900 N TYR A 91 16.901 20.265 19.099 1.00 1.00 N ATOM 901 CA TYR A 91 16.099 21.091 18.214 1.00 1.00 C ATOM 902 C TYR A 91 16.771 22.438 17.989 1.00 1.00 C ATOM 903 O TYR A 91 16.940 22.852 16.861 1.00 1.00 O ATOM 904 CB TYR A 91 14.690 21.295 18.820 1.00 1.00 C ATOM 905 CG TYR A 91 14.379 22.774 18.935 1.00 1.00 C ATOM 906 CD1 TYR A 91 13.914 23.485 17.822 1.00 1.00 C ATOM 907 CD2 TYR A 91 14.587 23.432 20.148 1.00 1.00 C ATOM 908 CE1 TYR A 91 13.652 24.848 17.922 1.00 1.00 C ATOM 909 CE2 TYR A 91 14.323 24.801 20.255 1.00 1.00 C ATOM 910 CZ TYR A 91 13.858 25.510 19.140 1.00 1.00 C ATOM 911 OH TYR A 91 13.591 26.858 19.242 1.00 1.00 O ATOM 0 H TYR A 91 16.434 19.983 19.961 1.00 1.00 H new ATOM 0 HA TYR A 91 16.005 20.586 17.253 1.00 1.00 H new ATOM 0 HB2 TYR A 91 13.943 20.806 18.195 1.00 1.00 H new ATOM 0 HB3 TYR A 91 14.638 20.827 19.803 1.00 1.00 H new ATOM 0 HD1 TYR A 91 13.758 22.974 16.883 1.00 1.00 H new ATOM 0 HD2 TYR A 91 14.952 22.884 21.004 1.00 1.00 H new ATOM 0 HE1 TYR A 91 13.291 25.394 17.063 1.00 1.00 H new ATOM 0 HE2 TYR A 91 14.477 25.310 21.195 1.00 1.00 H new ATOM 0 HH TYR A 91 13.786 27.162 20.153 1.00 1.00 H new ATOM 921 N GLU A 92 17.104 23.121 19.078 1.00 1.00 N ATOM 922 CA GLU A 92 17.718 24.440 18.997 1.00 1.00 C ATOM 923 C GLU A 92 18.906 24.407 18.044 1.00 1.00 C ATOM 924 O GLU A 92 19.132 25.349 17.288 1.00 1.00 O ATOM 925 CB GLU A 92 18.183 24.884 20.384 1.00 1.00 C ATOM 926 CG GLU A 92 19.082 23.807 20.993 1.00 1.00 C ATOM 927 CD GLU A 92 19.460 24.187 22.419 1.00 1.00 C ATOM 928 OE1 GLU A 92 18.613 24.722 23.113 1.00 1.00 O ATOM 929 OE2 GLU A 92 20.595 23.937 22.795 1.00 1.00 O ATOM 0 H GLU A 92 16.959 22.782 20.029 1.00 1.00 H new ATOM 0 HA GLU A 92 16.980 25.149 18.621 1.00 1.00 H new ATOM 0 HB2 GLU A 92 18.725 25.827 20.312 1.00 1.00 H new ATOM 0 HB3 GLU A 92 17.322 25.060 21.028 1.00 1.00 H new ATOM 0 HG2 GLU A 92 18.567 22.847 20.989 1.00 1.00 H new ATOM 0 HG3 GLU A 92 19.982 23.689 20.389 1.00 1.00 H new ATOM 936 N ARG A 93 19.662 23.319 18.089 1.00 1.00 N ATOM 937 CA ARG A 93 20.820 23.162 17.217 1.00 1.00 C ATOM 938 C ARG A 93 20.389 22.845 15.789 1.00 1.00 C ATOM 939 O ARG A 93 20.968 23.347 14.827 1.00 1.00 O ATOM 940 CB ARG A 93 21.728 22.057 17.744 1.00 1.00 C ATOM 941 CG ARG A 93 22.919 21.886 16.800 1.00 1.00 C ATOM 942 CD ARG A 93 23.961 20.989 17.455 1.00 1.00 C ATOM 943 NE ARG A 93 25.151 20.887 16.616 1.00 1.00 N ATOM 944 CZ ARG A 93 26.055 19.931 16.810 1.00 1.00 C ATOM 945 NH1 ARG A 93 25.891 19.062 17.768 1.00 1.00 N ATOM 946 NH2 ARG A 93 27.106 19.860 16.038 1.00 1.00 N ATOM 0 H ARG A 93 19.496 22.533 18.718 1.00 1.00 H new ATOM 0 HA ARG A 93 21.369 24.104 17.209 1.00 1.00 H new ATOM 0 HB2 ARG A 93 22.077 22.305 18.746 1.00 1.00 H new ATOM 0 HB3 ARG A 93 21.174 21.122 17.822 1.00 1.00 H new ATOM 0 HG2 ARG A 93 22.590 21.450 15.857 1.00 1.00 H new ATOM 0 HG3 ARG A 93 23.355 22.858 16.567 1.00 1.00 H new ATOM 0 HD2 ARG A 93 24.231 21.390 18.432 1.00 1.00 H new ATOM 0 HD3 ARG A 93 23.541 19.997 17.622 1.00 1.00 H new ATOM 0 HE ARG A 93 25.292 21.563 15.865 1.00 1.00 H new ATOM 0 HH11 ARG A 93 25.069 19.115 18.369 1.00 1.00 H new ATOM 0 HH12 ARG A 93 26.585 18.329 17.916 1.00 1.00 H new ATOM 0 HH21 ARG A 93 27.233 20.538 15.286 1.00 1.00 H new ATOM 0 HH22 ARG A 93 27.799 19.127 16.187 1.00 1.00 H new ATOM 960 N ALA A 94 19.381 21.992 15.660 1.00 1.00 N ATOM 961 CA ALA A 94 18.898 21.588 14.348 1.00 1.00 C ATOM 962 C ALA A 94 18.733 22.801 13.439 1.00 1.00 C ATOM 963 O ALA A 94 18.838 22.695 12.219 1.00 1.00 O ATOM 964 CB ALA A 94 17.554 20.873 14.484 1.00 1.00 C ATOM 0 H ALA A 94 18.885 21.569 16.444 1.00 1.00 H new ATOM 0 HA ALA A 94 19.631 20.912 13.907 1.00 1.00 H new ATOM 0 HB1 ALA A 94 17.199 20.574 13.498 1.00 1.00 H new ATOM 0 HB2 ALA A 94 17.674 19.989 15.110 1.00 1.00 H new ATOM 0 HB3 ALA A 94 16.829 21.546 14.942 1.00 1.00 H new ATOM 970 N LEU A 95 18.476 23.948 14.040 1.00 1.00 N ATOM 971 CA LEU A 95 18.288 25.169 13.272 1.00 1.00 C ATOM 972 C LEU A 95 19.482 25.449 12.385 1.00 1.00 C ATOM 973 O LEU A 95 19.345 25.527 11.165 1.00 1.00 O ATOM 974 CB LEU A 95 18.069 26.358 14.231 1.00 1.00 C ATOM 975 CG LEU A 95 16.633 26.347 14.763 1.00 1.00 C ATOM 976 CD1 LEU A 95 15.639 26.466 13.605 1.00 1.00 C ATOM 977 CD2 LEU A 95 16.383 25.042 15.513 1.00 1.00 C ATOM 0 H LEU A 95 18.393 24.062 15.050 1.00 1.00 H new ATOM 0 HA LEU A 95 17.412 25.038 12.636 1.00 1.00 H new ATOM 0 HB2 LEU A 95 18.773 26.300 15.061 1.00 1.00 H new ATOM 0 HB3 LEU A 95 18.265 27.296 13.711 1.00 1.00 H new ATOM 0 HG LEU A 95 16.496 27.194 15.436 1.00 1.00 H new ATOM 0 HD11 LEU A 95 14.622 26.457 13.996 1.00 1.00 H new ATOM 0 HD12 LEU A 95 15.814 27.399 13.070 1.00 1.00 H new ATOM 0 HD13 LEU A 95 15.773 25.626 12.923 1.00 1.00 H new ATOM 0 HD21 LEU A 95 15.362 25.031 15.893 1.00 1.00 H new ATOM 0 HD22 LEU A 95 16.528 24.200 14.836 1.00 1.00 H new ATOM 0 HD23 LEU A 95 17.081 24.962 16.346 1.00 1.00 H new ATOM 989 N ARG A 96 20.645 25.599 12.993 1.00 1.00 N ATOM 990 CA ARG A 96 21.861 25.872 12.237 1.00 1.00 C ATOM 991 C ARG A 96 22.390 24.594 11.594 1.00 1.00 C ATOM 992 O ARG A 96 23.094 24.641 10.584 1.00 1.00 O ATOM 993 CB ARG A 96 22.926 26.465 13.162 1.00 1.00 C ATOM 994 CG ARG A 96 23.328 25.432 14.220 1.00 1.00 C ATOM 995 CD ARG A 96 24.375 26.034 15.153 1.00 1.00 C ATOM 996 NE ARG A 96 24.834 25.031 16.106 1.00 1.00 N ATOM 997 CZ ARG A 96 25.744 25.326 17.029 1.00 1.00 C ATOM 998 NH1 ARG A 96 26.240 26.531 17.094 1.00 1.00 N ATOM 999 NH2 ARG A 96 26.140 24.409 17.870 1.00 1.00 N ATOM 0 H ARG A 96 20.776 25.537 14.003 1.00 1.00 H new ATOM 0 HA ARG A 96 21.627 26.588 11.449 1.00 1.00 H new ATOM 0 HB2 ARG A 96 23.799 26.764 12.582 1.00 1.00 H new ATOM 0 HB3 ARG A 96 22.542 27.363 13.645 1.00 1.00 H new ATOM 0 HG2 ARG A 96 22.453 25.122 14.791 1.00 1.00 H new ATOM 0 HG3 ARG A 96 23.726 24.539 13.738 1.00 1.00 H new ATOM 0 HD2 ARG A 96 25.218 26.408 14.573 1.00 1.00 H new ATOM 0 HD3 ARG A 96 23.952 26.886 15.685 1.00 1.00 H new ATOM 0 HE ARG A 96 24.450 24.087 16.064 1.00 1.00 H new ATOM 0 HH11 ARG A 96 25.929 27.246 16.437 1.00 1.00 H new ATOM 0 HH12 ARG A 96 26.938 26.758 17.802 1.00 1.00 H new ATOM 0 HH21 ARG A 96 25.751 23.467 17.818 1.00 1.00 H new ATOM 0 HH22 ARG A 96 26.838 24.634 18.579 1.00 1.00 H new ATOM 1013 N LEU A 97 22.064 23.459 12.196 1.00 1.00 N ATOM 1014 CA LEU A 97 22.528 22.185 11.681 1.00 1.00 C ATOM 1015 C LEU A 97 22.005 21.945 10.275 1.00 1.00 C ATOM 1016 O LEU A 97 22.730 21.469 9.403 1.00 1.00 O ATOM 1017 CB LEU A 97 22.066 21.042 12.613 1.00 1.00 C ATOM 1018 CG LEU A 97 23.220 20.063 12.847 1.00 1.00 C ATOM 1019 CD1 LEU A 97 23.750 19.557 11.489 1.00 1.00 C ATOM 1020 CD2 LEU A 97 24.355 20.777 13.617 1.00 1.00 C ATOM 0 H LEU A 97 21.485 23.397 13.034 1.00 1.00 H new ATOM 0 HA LEU A 97 23.617 22.207 11.644 1.00 1.00 H new ATOM 0 HB2 LEU A 97 21.726 21.451 13.564 1.00 1.00 H new ATOM 0 HB3 LEU A 97 21.218 20.520 12.170 1.00 1.00 H new ATOM 0 HG LEU A 97 22.865 19.215 13.433 1.00 1.00 H new ATOM 0 HD11 LEU A 97 24.571 18.860 11.656 1.00 1.00 H new ATOM 0 HD12 LEU A 97 22.948 19.051 10.951 1.00 1.00 H new ATOM 0 HD13 LEU A 97 24.105 20.402 10.899 1.00 1.00 H new ATOM 0 HD21 LEU A 97 25.176 20.080 13.783 1.00 1.00 H new ATOM 0 HD22 LEU A 97 24.712 21.626 13.034 1.00 1.00 H new ATOM 0 HD23 LEU A 97 23.978 21.129 14.577 1.00 1.00 H new ATOM 1032 N LEU A 98 20.746 22.269 10.066 1.00 1.00 N ATOM 1033 CA LEU A 98 20.133 22.084 8.757 1.00 1.00 C ATOM 1034 C LEU A 98 20.239 23.367 7.937 1.00 1.00 C ATOM 1035 O LEU A 98 19.668 23.466 6.862 1.00 1.00 O ATOM 1036 CB LEU A 98 18.653 21.680 8.949 1.00 1.00 C ATOM 1037 CG LEU A 98 17.722 22.914 8.750 1.00 1.00 C ATOM 1038 CD1 LEU A 98 17.189 22.936 7.291 1.00 1.00 C ATOM 1039 CD2 LEU A 98 16.572 22.855 9.734 1.00 1.00 C ATOM 0 H LEU A 98 20.127 22.659 10.776 1.00 1.00 H new ATOM 0 HA LEU A 98 20.655 21.295 8.215 1.00 1.00 H new ATOM 0 HB2 LEU A 98 18.388 20.898 8.237 1.00 1.00 H new ATOM 0 HB3 LEU A 98 18.509 21.265 9.947 1.00 1.00 H new ATOM 0 HG LEU A 98 18.287 23.828 8.931 1.00 1.00 H new ATOM 0 HD11 LEU A 98 16.538 23.800 7.154 1.00 1.00 H new ATOM 0 HD12 LEU A 98 18.028 23.000 6.598 1.00 1.00 H new ATOM 0 HD13 LEU A 98 16.626 22.023 7.095 1.00 1.00 H new ATOM 0 HD21 LEU A 98 15.925 23.720 9.590 1.00 1.00 H new ATOM 0 HD22 LEU A 98 15.999 21.942 9.570 1.00 1.00 H new ATOM 0 HD23 LEU A 98 16.963 22.860 10.751 1.00 1.00 H new ATOM 1051 N ARG A 99 20.948 24.349 8.465 1.00 1.00 N ATOM 1052 CA ARG A 99 21.090 25.628 7.781 1.00 1.00 C ATOM 1053 C ARG A 99 19.774 26.394 7.774 1.00 1.00 C ATOM 1054 O ARG A 99 19.289 26.803 6.720 1.00 1.00 O ATOM 1055 CB ARG A 99 21.556 25.394 6.342 1.00 1.00 C ATOM 1056 CG ARG A 99 22.725 24.403 6.338 1.00 1.00 C ATOM 1057 CD ARG A 99 23.857 24.945 7.211 1.00 1.00 C ATOM 1058 NE ARG A 99 25.113 24.299 6.859 1.00 1.00 N ATOM 1059 CZ ARG A 99 25.350 23.032 7.182 1.00 1.00 C ATOM 1060 NH1 ARG A 99 24.448 22.340 7.822 1.00 1.00 N ATOM 1061 NH2 ARG A 99 26.486 22.478 6.856 1.00 1.00 N ATOM 0 H ARG A 99 21.433 24.289 9.360 1.00 1.00 H new ATOM 0 HA ARG A 99 21.830 26.222 8.317 1.00 1.00 H new ATOM 0 HB2 ARG A 99 20.734 25.005 5.741 1.00 1.00 H new ATOM 0 HB3 ARG A 99 21.863 26.337 5.890 1.00 1.00 H new ATOM 0 HG2 ARG A 99 22.395 23.434 6.712 1.00 1.00 H new ATOM 0 HG3 ARG A 99 23.080 24.247 5.319 1.00 1.00 H new ATOM 0 HD2 ARG A 99 23.944 26.023 7.079 1.00 1.00 H new ATOM 0 HD3 ARG A 99 23.631 24.770 8.263 1.00 1.00 H new ATOM 0 HE ARG A 99 25.824 24.829 6.355 1.00 1.00 H new ATOM 0 HH11 ARG A 99 23.559 22.771 8.075 1.00 1.00 H new ATOM 0 HH12 ARG A 99 24.632 21.368 8.069 1.00 1.00 H new ATOM 0 HH21 ARG A 99 27.191 23.018 6.354 1.00 1.00 H new ATOM 0 HH22 ARG A 99 26.669 21.506 7.104 1.00 1.00 H new ATOM 1075 N LEU A 100 19.207 26.603 8.957 1.00 1.00 N ATOM 1076 CA LEU A 100 17.958 27.328 9.070 1.00 1.00 C ATOM 1077 C LEU A 100 17.912 28.132 10.374 1.00 1.00 C ATOM 1078 O LEU A 100 17.965 27.549 11.451 1.00 1.00 O ATOM 1079 CB LEU A 100 16.772 26.374 9.021 1.00 1.00 C ATOM 1080 CG LEU A 100 15.507 27.131 8.575 1.00 1.00 C ATOM 1081 CD1 LEU A 100 15.481 27.254 7.045 1.00 1.00 C ATOM 1082 CD2 LEU A 100 14.273 26.368 9.040 1.00 1.00 C ATOM 0 H LEU A 100 19.594 26.281 9.844 1.00 1.00 H new ATOM 0 HA LEU A 100 17.897 28.015 8.226 1.00 1.00 H new ATOM 0 HB2 LEU A 100 16.980 25.557 8.330 1.00 1.00 H new ATOM 0 HB3 LEU A 100 16.612 25.928 10.003 1.00 1.00 H new ATOM 0 HG LEU A 100 15.513 28.128 9.014 1.00 1.00 H new ATOM 0 HD11 LEU A 100 14.583 27.791 6.738 1.00 1.00 H new ATOM 0 HD12 LEU A 100 16.363 27.800 6.709 1.00 1.00 H new ATOM 0 HD13 LEU A 100 15.479 26.259 6.600 1.00 1.00 H new ATOM 0 HD21 LEU A 100 13.376 26.901 8.726 1.00 1.00 H new ATOM 0 HD22 LEU A 100 14.275 25.371 8.600 1.00 1.00 H new ATOM 0 HD23 LEU A 100 14.284 26.286 10.127 1.00 1.00 H new ATOM 1094 N PRO A 101 17.843 29.437 10.297 1.00 1.00 N ATOM 1095 CA PRO A 101 17.817 30.314 11.498 1.00 1.00 C ATOM 1096 C PRO A 101 16.483 30.288 12.218 1.00 1.00 C ATOM 1097 O PRO A 101 16.345 30.867 13.295 1.00 1.00 O ATOM 1098 CB PRO A 101 18.121 31.706 10.925 1.00 1.00 C ATOM 1099 CG PRO A 101 17.649 31.668 9.504 1.00 1.00 C ATOM 1100 CD PRO A 101 17.750 30.217 9.050 1.00 1.00 C ATOM 0 HA PRO A 101 18.531 29.992 12.256 1.00 1.00 H new ATOM 0 HB2 PRO A 101 17.605 32.483 11.489 1.00 1.00 H new ATOM 0 HB3 PRO A 101 19.187 31.928 10.978 1.00 1.00 H new ATOM 0 HG2 PRO A 101 16.623 32.027 9.427 1.00 1.00 H new ATOM 0 HG3 PRO A 101 18.261 32.314 8.875 1.00 1.00 H new ATOM 0 HD2 PRO A 101 16.878 29.924 8.465 1.00 1.00 H new ATOM 0 HD3 PRO A 101 18.625 30.060 8.419 1.00 1.00 H new ATOM 1108 N GLN A 102 15.498 29.632 11.613 1.00 1.00 N ATOM 1109 CA GLN A 102 14.170 29.558 12.200 1.00 1.00 C ATOM 1110 C GLN A 102 13.232 28.748 11.311 1.00 1.00 C ATOM 1111 O GLN A 102 13.278 28.853 10.084 1.00 1.00 O ATOM 1112 CB GLN A 102 13.595 30.967 12.379 1.00 1.00 C ATOM 1113 CG GLN A 102 13.648 31.715 11.047 1.00 1.00 C ATOM 1114 CD GLN A 102 13.224 33.167 11.247 1.00 1.00 C ATOM 1115 OE1 GLN A 102 13.072 33.911 10.278 1.00 1.00 O ATOM 1116 NE2 GLN A 102 13.028 33.619 12.456 1.00 1.00 N ATOM 0 H GLN A 102 15.596 29.147 10.721 1.00 1.00 H new ATOM 0 HA GLN A 102 14.256 29.068 13.170 1.00 1.00 H new ATOM 0 HB2 GLN A 102 12.566 30.909 12.734 1.00 1.00 H new ATOM 0 HB3 GLN A 102 14.163 31.509 13.135 1.00 1.00 H new ATOM 0 HG2 GLN A 102 14.658 31.675 10.638 1.00 1.00 H new ATOM 0 HG3 GLN A 102 12.992 31.232 10.323 1.00 1.00 H new ATOM 0 HE21 GLN A 102 13.154 33.002 13.258 1.00 1.00 H new ATOM 0 HE22 GLN A 102 12.749 34.590 12.599 1.00 1.00 H new ATOM 1125 N LEU A 103 12.377 27.936 11.942 1.00 1.00 N ATOM 1126 CA LEU A 103 11.438 27.126 11.205 1.00 1.00 C ATOM 1127 C LEU A 103 10.180 27.919 10.868 1.00 1.00 C ATOM 1128 O LEU A 103 9.758 28.779 11.645 1.00 1.00 O ATOM 1129 CB LEU A 103 11.054 25.887 12.002 1.00 1.00 C ATOM 1130 CG LEU A 103 12.334 25.224 12.562 1.00 1.00 C ATOM 1131 CD1 LEU A 103 12.459 25.550 14.053 1.00 1.00 C ATOM 1132 CD2 LEU A 103 12.257 23.709 12.369 1.00 1.00 C ATOM 0 H LEU A 103 12.326 27.832 12.955 1.00 1.00 H new ATOM 0 HA LEU A 103 11.924 26.821 10.278 1.00 1.00 H new ATOM 0 HB2 LEU A 103 10.384 26.158 12.818 1.00 1.00 H new ATOM 0 HB3 LEU A 103 10.514 25.184 11.367 1.00 1.00 H new ATOM 0 HG LEU A 103 13.206 25.606 12.031 1.00 1.00 H new ATOM 0 HD11 LEU A 103 13.360 25.085 14.453 1.00 1.00 H new ATOM 0 HD12 LEU A 103 12.519 26.630 14.185 1.00 1.00 H new ATOM 0 HD13 LEU A 103 11.587 25.167 14.583 1.00 1.00 H new ATOM 0 HD21 LEU A 103 13.161 23.245 12.765 1.00 1.00 H new ATOM 0 HD22 LEU A 103 11.387 23.319 12.898 1.00 1.00 H new ATOM 0 HD23 LEU A 103 12.168 23.482 11.307 1.00 1.00 H new ATOM 1144 N PRO A 104 9.556 27.625 9.762 1.00 1.00 N ATOM 1145 CA PRO A 104 8.304 28.308 9.342 1.00 1.00 C ATOM 1146 C PRO A 104 7.188 28.133 10.380 1.00 1.00 C ATOM 1147 O PRO A 104 7.402 27.574 11.454 1.00 1.00 O ATOM 1148 CB PRO A 104 7.923 27.607 8.018 1.00 1.00 C ATOM 1149 CG PRO A 104 9.177 26.963 7.537 1.00 1.00 C ATOM 1150 CD PRO A 104 9.994 26.636 8.765 1.00 1.00 C ATOM 0 HA PRO A 104 8.442 29.384 9.235 1.00 1.00 H new ATOM 0 HB2 PRO A 104 7.138 26.868 8.176 1.00 1.00 H new ATOM 0 HB3 PRO A 104 7.544 28.323 7.289 1.00 1.00 H new ATOM 0 HG2 PRO A 104 8.955 26.060 6.968 1.00 1.00 H new ATOM 0 HG3 PRO A 104 9.726 27.631 6.873 1.00 1.00 H new ATOM 0 HD2 PRO A 104 9.810 25.617 9.107 1.00 1.00 H new ATOM 0 HD3 PRO A 104 11.063 26.717 8.566 1.00 1.00 H new ATOM 1158 N PRO A 105 6.004 28.582 10.061 1.00 1.00 N ATOM 1159 CA PRO A 105 4.826 28.465 10.970 1.00 1.00 C ATOM 1160 C PRO A 105 4.468 27.004 11.251 1.00 1.00 C ATOM 1161 O PRO A 105 4.389 26.187 10.334 1.00 1.00 O ATOM 1162 CB PRO A 105 3.690 29.170 10.195 1.00 1.00 C ATOM 1163 CG PRO A 105 4.382 30.012 9.172 1.00 1.00 C ATOM 1164 CD PRO A 105 5.651 29.268 8.809 1.00 1.00 C ATOM 0 HA PRO A 105 5.016 28.908 11.948 1.00 1.00 H new ATOM 0 HB2 PRO A 105 3.025 28.446 9.725 1.00 1.00 H new ATOM 0 HB3 PRO A 105 3.079 29.780 10.860 1.00 1.00 H new ATOM 0 HG2 PRO A 105 3.751 30.158 8.295 1.00 1.00 H new ATOM 0 HG3 PRO A 105 4.610 31.001 9.570 1.00 1.00 H new ATOM 0 HD2 PRO A 105 5.486 28.562 7.995 1.00 1.00 H new ATOM 0 HD3 PRO A 105 6.439 29.948 8.486 1.00 1.00 H new ATOM 1172 N GLY A 106 4.234 26.694 12.519 1.00 1.00 N ATOM 1173 CA GLY A 106 3.871 25.340 12.904 1.00 1.00 C ATOM 1174 C GLY A 106 5.056 24.417 12.806 1.00 1.00 C ATOM 1175 O GLY A 106 5.351 23.721 13.764 1.00 1.00 O ATOM 0 H GLY A 106 4.289 27.357 13.292 1.00 1.00 H new ATOM 0 HA2 GLY A 106 3.487 25.338 13.924 1.00 1.00 H new ATOM 0 HA3 GLY A 106 3.069 24.978 12.261 1.00 1.00 H new ATOM 1179 N ALA A 107 5.732 24.420 11.646 1.00 1.00 N ATOM 1180 CA ALA A 107 6.907 23.566 11.419 1.00 1.00 C ATOM 1181 C ALA A 107 7.481 23.062 12.738 1.00 1.00 C ATOM 1182 O ALA A 107 7.684 23.837 13.673 1.00 1.00 O ATOM 1183 CB ALA A 107 7.982 24.353 10.679 1.00 1.00 C ATOM 0 H ALA A 107 5.483 25.006 10.849 1.00 1.00 H new ATOM 0 HA ALA A 107 6.591 22.710 10.823 1.00 1.00 H new ATOM 0 HB1 ALA A 107 8.850 23.716 10.513 1.00 1.00 H new ATOM 0 HB2 ALA A 107 7.591 24.690 9.719 1.00 1.00 H new ATOM 0 HB3 ALA A 107 8.275 25.218 11.275 1.00 1.00 H new ATOM 1189 N GLN A 108 7.700 21.759 12.824 1.00 1.00 N ATOM 1190 CA GLN A 108 8.208 21.155 14.055 1.00 1.00 C ATOM 1191 C GLN A 108 9.362 20.225 13.741 1.00 1.00 C ATOM 1192 O GLN A 108 9.514 19.771 12.606 1.00 1.00 O ATOM 1193 CB GLN A 108 7.102 20.362 14.760 1.00 1.00 C ATOM 1194 CG GLN A 108 5.838 21.209 14.844 1.00 1.00 C ATOM 1195 CD GLN A 108 4.780 20.497 15.678 1.00 1.00 C ATOM 1196 OE1 GLN A 108 3.747 20.084 15.151 1.00 1.00 O ATOM 1197 NE2 GLN A 108 4.980 20.322 16.956 1.00 1.00 N ATOM 0 H GLN A 108 7.536 21.099 12.063 1.00 1.00 H new ATOM 0 HA GLN A 108 8.550 21.955 14.711 1.00 1.00 H new ATOM 0 HB2 GLN A 108 6.898 19.440 14.215 1.00 1.00 H new ATOM 0 HB3 GLN A 108 7.427 20.076 15.760 1.00 1.00 H new ATOM 0 HG2 GLN A 108 6.070 22.177 15.287 1.00 1.00 H new ATOM 0 HG3 GLN A 108 5.453 21.401 13.842 1.00 1.00 H new ATOM 0 HE21 GLN A 108 5.837 20.665 17.390 1.00 1.00 H new ATOM 0 HE22 GLN A 108 4.279 19.842 17.521 1.00 1.00 H new ATOM 1206 N LEU A 109 10.195 19.960 14.744 1.00 1.00 N ATOM 1207 CA LEU A 109 11.351 19.090 14.560 1.00 1.00 C ATOM 1208 C LEU A 109 11.131 17.761 15.250 1.00 1.00 C ATOM 1209 O LEU A 109 10.985 17.702 16.467 1.00 1.00 O ATOM 1210 CB LEU A 109 12.610 19.750 15.129 1.00 1.00 C ATOM 1211 CG LEU A 109 12.773 21.157 14.523 1.00 1.00 C ATOM 1212 CD1 LEU A 109 11.859 22.156 15.258 1.00 1.00 C ATOM 1213 CD2 LEU A 109 14.237 21.607 14.654 1.00 1.00 C ATOM 0 H LEU A 109 10.091 20.333 15.688 1.00 1.00 H new ATOM 0 HA LEU A 109 11.481 18.922 13.491 1.00 1.00 H new ATOM 0 HB2 LEU A 109 12.539 19.816 16.215 1.00 1.00 H new ATOM 0 HB3 LEU A 109 13.486 19.142 14.903 1.00 1.00 H new ATOM 0 HG LEU A 109 12.494 21.126 13.470 1.00 1.00 H new ATOM 0 HD11 LEU A 109 11.981 23.148 14.823 1.00 1.00 H new ATOM 0 HD12 LEU A 109 10.820 21.841 15.158 1.00 1.00 H new ATOM 0 HD13 LEU A 109 12.129 22.187 16.314 1.00 1.00 H new ATOM 0 HD21 LEU A 109 14.351 22.602 14.225 1.00 1.00 H new ATOM 0 HD22 LEU A 109 14.517 21.631 15.707 1.00 1.00 H new ATOM 0 HD23 LEU A 109 14.882 20.907 14.123 1.00 1.00 H new ATOM 1225 N VAL A 110 11.112 16.690 14.465 1.00 1.00 N ATOM 1226 CA VAL A 110 10.893 15.351 15.005 1.00 1.00 C ATOM 1227 C VAL A 110 12.174 14.540 14.949 1.00 1.00 C ATOM 1228 O VAL A 110 13.186 15.005 14.426 1.00 1.00 O ATOM 1229 CB VAL A 110 9.798 14.636 14.212 1.00 1.00 C ATOM 1230 CG1 VAL A 110 8.594 15.583 14.010 1.00 1.00 C ATOM 1231 CG2 VAL A 110 10.352 14.220 12.841 1.00 1.00 C ATOM 0 H VAL A 110 11.245 16.721 13.454 1.00 1.00 H new ATOM 0 HA VAL A 110 10.580 15.447 16.045 1.00 1.00 H new ATOM 0 HB VAL A 110 9.474 13.753 14.763 1.00 1.00 H new ATOM 0 HG11 VAL A 110 7.817 15.068 13.445 1.00 1.00 H new ATOM 0 HG12 VAL A 110 8.199 15.881 14.981 1.00 1.00 H new ATOM 0 HG13 VAL A 110 8.916 16.468 13.462 1.00 1.00 H new ATOM 0 HG21 VAL A 110 9.574 13.710 12.274 1.00 1.00 H new ATOM 0 HG22 VAL A 110 10.677 15.106 12.296 1.00 1.00 H new ATOM 0 HG23 VAL A 110 11.199 13.548 12.979 1.00 1.00 H new ATOM 1241 N LYS A 111 12.127 13.332 15.499 1.00 1.00 N ATOM 1242 CA LYS A 111 13.300 12.458 15.509 1.00 1.00 C ATOM 1243 C LYS A 111 13.159 11.351 14.472 1.00 1.00 C ATOM 1244 O LYS A 111 12.204 11.334 13.700 1.00 1.00 O ATOM 1245 CB LYS A 111 13.477 11.849 16.899 1.00 1.00 C ATOM 1246 CG LYS A 111 13.988 12.925 17.866 1.00 1.00 C ATOM 1247 CD LYS A 111 14.269 12.294 19.234 1.00 1.00 C ATOM 1248 CE LYS A 111 12.952 12.016 19.962 1.00 1.00 C ATOM 1249 NZ LYS A 111 13.223 11.750 21.398 1.00 1.00 N ATOM 0 H LYS A 111 11.298 12.935 15.941 1.00 1.00 H new ATOM 0 HA LYS A 111 14.178 13.053 15.258 1.00 1.00 H new ATOM 0 HB2 LYS A 111 12.529 11.446 17.255 1.00 1.00 H new ATOM 0 HB3 LYS A 111 14.181 11.018 16.857 1.00 1.00 H new ATOM 0 HG2 LYS A 111 14.896 13.382 17.471 1.00 1.00 H new ATOM 0 HG3 LYS A 111 13.249 13.720 17.966 1.00 1.00 H new ATOM 0 HD2 LYS A 111 14.827 11.366 19.108 1.00 1.00 H new ATOM 0 HD3 LYS A 111 14.890 12.962 19.831 1.00 1.00 H new ATOM 0 HE2 LYS A 111 12.281 12.869 19.860 1.00 1.00 H new ATOM 0 HE3 LYS A 111 12.450 11.160 19.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 12.327 11.561 21.891 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 13.848 10.923 21.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 13.684 12.579 21.824 1.00 1.00 H new ATOM 1263 N SER A 112 14.119 10.430 14.467 1.00 1.00 N ATOM 1264 CA SER A 112 14.097 9.324 13.521 1.00 1.00 C ATOM 1265 C SER A 112 12.886 8.425 13.762 1.00 1.00 C ATOM 1266 O SER A 112 12.284 7.916 12.816 1.00 1.00 O ATOM 1267 CB SER A 112 15.378 8.505 13.648 1.00 1.00 C ATOM 1268 OG SER A 112 15.507 8.038 14.983 1.00 1.00 O ATOM 0 H SER A 112 14.916 10.429 15.104 1.00 1.00 H new ATOM 0 HA SER A 112 14.027 9.737 12.515 1.00 1.00 H new ATOM 0 HB2 SER A 112 15.355 7.663 12.957 1.00 1.00 H new ATOM 0 HB3 SER A 112 16.241 9.114 13.379 1.00 1.00 H new ATOM 0 HG SER A 112 16.450 7.856 15.176 1.00 1.00 H new ATOM 1274 N ALA A 113 12.542 8.231 15.029 1.00 1.00 N ATOM 1275 CA ALA A 113 11.411 7.384 15.381 1.00 1.00 C ATOM 1276 C ALA A 113 10.147 7.857 14.674 1.00 1.00 C ATOM 1277 O ALA A 113 9.392 7.052 14.131 1.00 1.00 O ATOM 1278 CB ALA A 113 11.189 7.411 16.893 1.00 1.00 C ATOM 0 H ALA A 113 13.027 8.646 15.825 1.00 1.00 H new ATOM 0 HA ALA A 113 11.633 6.365 15.064 1.00 1.00 H new ATOM 0 HB1 ALA A 113 10.341 6.775 17.148 1.00 1.00 H new ATOM 0 HB2 ALA A 113 12.082 7.045 17.399 1.00 1.00 H new ATOM 0 HB3 ALA A 113 10.985 8.433 17.213 1.00 1.00 H new ATOM 1284 N TRP A 114 9.926 9.165 14.678 1.00 1.00 N ATOM 1285 CA TRP A 114 8.748 9.726 14.030 1.00 1.00 C ATOM 1286 C TRP A 114 8.712 9.334 12.557 1.00 1.00 C ATOM 1287 O TRP A 114 7.679 8.902 12.047 1.00 1.00 O ATOM 1288 CB TRP A 114 8.765 11.254 14.151 1.00 1.00 C ATOM 1289 CG TRP A 114 7.686 11.850 13.307 1.00 1.00 C ATOM 1290 CD1 TRP A 114 6.437 12.140 13.736 1.00 1.00 C ATOM 1291 CD2 TRP A 114 7.729 12.210 11.895 1.00 1.00 C ATOM 1292 NE1 TRP A 114 5.714 12.661 12.677 1.00 1.00 N ATOM 1293 CE2 TRP A 114 6.469 12.729 11.525 1.00 1.00 C ATOM 1294 CE3 TRP A 114 8.732 12.143 10.910 1.00 1.00 C ATOM 1295 CZ2 TRP A 114 6.211 13.163 10.225 1.00 1.00 C ATOM 1296 CZ3 TRP A 114 8.479 12.583 9.605 1.00 1.00 C ATOM 1297 CH2 TRP A 114 7.221 13.089 9.264 1.00 1.00 C ATOM 0 H TRP A 114 10.540 9.851 15.118 1.00 1.00 H new ATOM 0 HA TRP A 114 7.860 9.330 14.523 1.00 1.00 H new ATOM 0 HB2 TRP A 114 8.625 11.545 15.192 1.00 1.00 H new ATOM 0 HB3 TRP A 114 9.736 11.640 13.840 1.00 1.00 H new ATOM 0 HD1 TRP A 114 6.065 11.990 14.739 1.00 1.00 H new ATOM 0 HE1 TRP A 114 4.740 12.959 12.741 1.00 1.00 H new ATOM 0 HE3 TRP A 114 9.705 11.749 11.163 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 5.238 13.553 9.964 1.00 1.00 H new ATOM 0 HZ3 TRP A 114 9.258 12.531 8.859 1.00 1.00 H new ATOM 0 HH2 TRP A 114 7.030 13.423 8.255 1.00 1.00 H new ATOM 1308 N LEU A 115 9.834 9.510 11.874 1.00 1.00 N ATOM 1309 CA LEU A 115 9.895 9.196 10.454 1.00 1.00 C ATOM 1310 C LEU A 115 9.548 7.730 10.223 1.00 1.00 C ATOM 1311 O LEU A 115 8.678 7.410 9.428 1.00 1.00 O ATOM 1312 CB LEU A 115 11.314 9.472 9.931 1.00 1.00 C ATOM 1313 CG LEU A 115 11.256 9.846 8.447 1.00 1.00 C ATOM 1314 CD1 LEU A 115 12.682 10.047 7.898 1.00 1.00 C ATOM 1315 CD2 LEU A 115 10.553 8.730 7.660 1.00 1.00 C ATOM 0 H LEU A 115 10.703 9.864 12.273 1.00 1.00 H new ATOM 0 HA LEU A 115 9.176 9.819 9.922 1.00 1.00 H new ATOM 0 HB2 LEU A 115 11.771 10.280 10.502 1.00 1.00 H new ATOM 0 HB3 LEU A 115 11.940 8.591 10.069 1.00 1.00 H new ATOM 0 HG LEU A 115 10.697 10.775 8.336 1.00 1.00 H new ATOM 0 HD11 LEU A 115 12.631 10.313 6.842 1.00 1.00 H new ATOM 0 HD12 LEU A 115 13.175 10.847 8.450 1.00 1.00 H new ATOM 0 HD13 LEU A 115 13.250 9.124 8.013 1.00 1.00 H new ATOM 0 HD21 LEU A 115 10.513 8.999 6.604 1.00 1.00 H new ATOM 0 HD22 LEU A 115 11.107 7.798 7.777 1.00 1.00 H new ATOM 0 HD23 LEU A 115 9.540 8.600 8.040 1.00 1.00 H new ATOM 1327 N SER A 116 10.231 6.842 10.930 1.00 1.00 N ATOM 1328 CA SER A 116 9.979 5.411 10.783 1.00 1.00 C ATOM 1329 C SER A 116 8.482 5.135 10.700 1.00 1.00 C ATOM 1330 O SER A 116 8.005 4.553 9.727 1.00 1.00 O ATOM 1331 CB SER A 116 10.572 4.657 11.974 1.00 1.00 C ATOM 1332 OG SER A 116 11.950 4.985 12.100 1.00 1.00 O ATOM 0 H SER A 116 10.957 7.080 11.605 1.00 1.00 H new ATOM 0 HA SER A 116 10.450 5.069 9.861 1.00 1.00 H new ATOM 0 HB2 SER A 116 10.039 4.920 12.888 1.00 1.00 H new ATOM 0 HB3 SER A 116 10.454 3.583 11.834 1.00 1.00 H new ATOM 0 HG SER A 116 12.234 5.508 11.322 1.00 1.00 H new ATOM 1338 N LEU A 117 7.748 5.560 11.722 1.00 1.00 N ATOM 1339 CA LEU A 117 6.304 5.347 11.748 1.00 1.00 C ATOM 1340 C LEU A 117 5.662 5.916 10.492 1.00 1.00 C ATOM 1341 O LEU A 117 4.898 5.239 9.814 1.00 1.00 O ATOM 1342 CB LEU A 117 5.709 6.032 12.977 1.00 1.00 C ATOM 1343 CG LEU A 117 6.421 5.542 14.239 1.00 1.00 C ATOM 1344 CD1 LEU A 117 5.920 6.330 15.452 1.00 1.00 C ATOM 1345 CD2 LEU A 117 6.132 4.047 14.446 1.00 1.00 C ATOM 0 H LEU A 117 8.122 6.049 12.535 1.00 1.00 H new ATOM 0 HA LEU A 117 6.108 4.276 11.791 1.00 1.00 H new ATOM 0 HB2 LEU A 117 5.812 7.113 12.887 1.00 1.00 H new ATOM 0 HB3 LEU A 117 4.642 5.817 13.044 1.00 1.00 H new ATOM 0 HG LEU A 117 7.495 5.693 14.127 1.00 1.00 H new ATOM 0 HD11 LEU A 117 6.429 5.979 16.350 1.00 1.00 H new ATOM 0 HD12 LEU A 117 6.128 7.390 15.308 1.00 1.00 H new ATOM 0 HD13 LEU A 117 4.846 6.183 15.563 1.00 1.00 H new ATOM 0 HD21 LEU A 117 6.640 3.699 15.346 1.00 1.00 H new ATOM 0 HD22 LEU A 117 5.058 3.896 14.554 1.00 1.00 H new ATOM 0 HD23 LEU A 117 6.493 3.484 13.585 1.00 1.00 H new ATOM 1357 N CYS A 118 5.976 7.165 10.182 1.00 1.00 N ATOM 1358 CA CYS A 118 5.420 7.811 8.996 1.00 1.00 C ATOM 1359 C CYS A 118 5.506 6.881 7.794 1.00 1.00 C ATOM 1360 O CYS A 118 4.640 6.895 6.928 1.00 1.00 O ATOM 1361 CB CYS A 118 6.183 9.102 8.696 1.00 1.00 C ATOM 1362 SG CYS A 118 6.198 10.143 10.173 1.00 1.00 S ATOM 0 H CYS A 118 6.608 7.750 10.729 1.00 1.00 H new ATOM 0 HA CYS A 118 4.373 8.045 9.190 1.00 1.00 H new ATOM 0 HB2 CYS A 118 7.203 8.872 8.389 1.00 1.00 H new ATOM 0 HB3 CYS A 118 5.712 9.632 7.868 1.00 1.00 H new ATOM 0 HG CYS A 118 6.881 11.224 9.935 1.00 1.00 H new ATOM 1368 N LEU A 119 6.556 6.070 7.751 1.00 1.00 N ATOM 1369 CA LEU A 119 6.737 5.125 6.653 1.00 1.00 C ATOM 1370 C LEU A 119 5.879 3.884 6.857 1.00 1.00 C ATOM 1371 O LEU A 119 5.141 3.474 5.960 1.00 1.00 O ATOM 1372 CB LEU A 119 8.209 4.718 6.555 1.00 1.00 C ATOM 1373 CG LEU A 119 9.083 5.970 6.450 1.00 1.00 C ATOM 1374 CD1 LEU A 119 10.557 5.565 6.391 1.00 1.00 C ATOM 1375 CD2 LEU A 119 8.713 6.757 5.186 1.00 1.00 C ATOM 0 H LEU A 119 7.291 6.046 8.458 1.00 1.00 H new ATOM 0 HA LEU A 119 6.428 5.613 5.728 1.00 1.00 H new ATOM 0 HB2 LEU A 119 8.495 4.135 7.431 1.00 1.00 H new ATOM 0 HB3 LEU A 119 8.363 4.081 5.684 1.00 1.00 H new ATOM 0 HG LEU A 119 8.916 6.598 7.325 1.00 1.00 H new ATOM 0 HD11 LEU A 119 11.177 6.458 6.316 1.00 1.00 H new ATOM 0 HD12 LEU A 119 10.820 5.015 7.295 1.00 1.00 H new ATOM 0 HD13 LEU A 119 10.726 4.932 5.520 1.00 1.00 H new ATOM 0 HD21 LEU A 119 9.338 7.647 5.116 1.00 1.00 H new ATOM 0 HD22 LEU A 119 8.873 6.131 4.308 1.00 1.00 H new ATOM 0 HD23 LEU A 119 7.665 7.052 5.235 1.00 1.00 H new ATOM 1387 N GLN A 120 5.980 3.289 8.040 1.00 1.00 N ATOM 1388 CA GLN A 120 5.211 2.091 8.348 1.00 1.00 C ATOM 1389 C GLN A 120 3.729 2.425 8.489 1.00 1.00 C ATOM 1390 O GLN A 120 2.882 1.828 7.825 1.00 1.00 O ATOM 1391 CB GLN A 120 5.719 1.466 9.652 1.00 1.00 C ATOM 1392 CG GLN A 120 7.170 1.014 9.468 1.00 1.00 C ATOM 1393 CD GLN A 120 7.722 0.485 10.787 1.00 1.00 C ATOM 1394 OE1 GLN A 120 7.404 1.017 11.851 1.00 1.00 O ATOM 1395 NE2 GLN A 120 8.534 -0.536 10.781 1.00 1.00 N ATOM 0 H GLN A 120 6.582 3.614 8.796 1.00 1.00 H new ATOM 0 HA GLN A 120 5.336 1.382 7.529 1.00 1.00 H new ATOM 0 HB2 GLN A 120 5.652 2.189 10.465 1.00 1.00 H new ATOM 0 HB3 GLN A 120 5.094 0.617 9.929 1.00 1.00 H new ATOM 0 HG2 GLN A 120 7.224 0.238 8.704 1.00 1.00 H new ATOM 0 HG3 GLN A 120 7.778 1.848 9.118 1.00 1.00 H new ATOM 0 HE21 GLN A 120 8.795 -0.974 9.898 1.00 1.00 H new ATOM 0 HE22 GLN A 120 8.907 -0.896 11.659 1.00 1.00 H new ATOM 1404 N GLU A 121 3.423 3.380 9.360 1.00 1.00 N ATOM 1405 CA GLU A 121 2.044 3.780 9.587 1.00 1.00 C ATOM 1406 C GLU A 121 1.541 4.629 8.438 1.00 1.00 C ATOM 1407 O GLU A 121 0.440 5.172 8.509 1.00 1.00 O ATOM 1408 CB GLU A 121 1.931 4.574 10.889 1.00 1.00 C ATOM 1409 CG GLU A 121 2.464 3.735 12.046 1.00 1.00 C ATOM 1410 CD GLU A 121 2.250 4.468 13.366 1.00 1.00 C ATOM 1411 OE1 GLU A 121 1.600 5.500 13.349 1.00 1.00 O ATOM 1412 OE2 GLU A 121 2.732 3.981 14.376 1.00 1.00 O ATOM 0 H GLU A 121 4.110 3.888 9.917 1.00 1.00 H new ATOM 0 HA GLU A 121 1.436 2.878 9.658 1.00 1.00 H new ATOM 0 HB2 GLU A 121 2.495 5.504 10.810 1.00 1.00 H new ATOM 0 HB3 GLU A 121 0.892 4.846 11.072 1.00 1.00 H new ATOM 0 HG2 GLU A 121 1.957 2.771 12.070 1.00 1.00 H new ATOM 0 HG3 GLU A 121 3.525 3.533 11.901 1.00 1.00 H new ATOM 1419 N ARG A 122 2.348 4.732 7.378 1.00 1.00 N ATOM 1420 CA ARG A 122 1.975 5.522 6.200 1.00 1.00 C ATOM 1421 C ARG A 122 0.977 6.620 6.556 1.00 1.00 C ATOM 1422 O ARG A 122 -0.107 6.698 5.979 1.00 1.00 O ATOM 1423 CB ARG A 122 1.380 4.614 5.126 1.00 1.00 C ATOM 1424 CG ARG A 122 2.430 3.595 4.676 1.00 1.00 C ATOM 1425 CD ARG A 122 1.933 2.869 3.427 1.00 1.00 C ATOM 1426 NE ARG A 122 2.953 1.948 2.939 1.00 1.00 N ATOM 1427 CZ ARG A 122 3.173 0.783 3.538 1.00 1.00 C ATOM 1428 NH1 ARG A 122 2.472 0.448 4.586 1.00 1.00 N ATOM 1429 NH2 ARG A 122 4.093 -0.022 3.082 1.00 1.00 N ATOM 0 H ARG A 122 3.260 4.280 7.311 1.00 1.00 H new ATOM 0 HA ARG A 122 2.879 5.996 5.818 1.00 1.00 H new ATOM 0 HB2 ARG A 122 0.502 4.099 5.516 1.00 1.00 H new ATOM 0 HB3 ARG A 122 1.048 5.209 4.275 1.00 1.00 H new ATOM 0 HG2 ARG A 122 3.374 4.098 4.466 1.00 1.00 H new ATOM 0 HG3 ARG A 122 2.622 2.878 5.474 1.00 1.00 H new ATOM 0 HD2 ARG A 122 1.018 2.322 3.656 1.00 1.00 H new ATOM 0 HD3 ARG A 122 1.686 3.593 2.651 1.00 1.00 H new ATOM 0 HE ARG A 122 3.508 2.203 2.122 1.00 1.00 H new ATOM 0 HH11 ARG A 122 1.756 1.080 4.944 1.00 1.00 H new ATOM 0 HH12 ARG A 122 2.640 -0.446 5.047 1.00 1.00 H new ATOM 0 HH21 ARG A 122 4.644 0.243 2.265 1.00 1.00 H new ATOM 0 HH22 ARG A 122 4.262 -0.917 3.542 1.00 1.00 H new ATOM 1443 N ARG A 123 1.329 7.436 7.547 1.00 1.00 N ATOM 1444 CA ARG A 123 0.449 8.502 7.996 1.00 1.00 C ATOM 1445 C ARG A 123 1.245 9.569 8.731 1.00 1.00 C ATOM 1446 O ARG A 123 2.476 9.538 8.749 1.00 1.00 O ATOM 1447 CB ARG A 123 -0.638 7.938 8.924 1.00 1.00 C ATOM 1448 CG ARG A 123 -0.020 7.538 10.265 1.00 1.00 C ATOM 1449 CD ARG A 123 -1.061 6.823 11.117 1.00 1.00 C ATOM 1450 NE ARG A 123 -1.402 5.534 10.530 1.00 1.00 N ATOM 1451 CZ ARG A 123 -2.327 4.751 11.075 1.00 1.00 C ATOM 1452 NH1 ARG A 123 -2.949 5.131 12.158 1.00 1.00 N ATOM 1453 NH2 ARG A 123 -2.613 3.601 10.528 1.00 1.00 N ATOM 0 H ARG A 123 2.214 7.377 8.050 1.00 1.00 H new ATOM 0 HA ARG A 123 -0.024 8.950 7.122 1.00 1.00 H new ATOM 0 HB2 ARG A 123 -1.418 8.683 9.081 1.00 1.00 H new ATOM 0 HB3 ARG A 123 -1.112 7.073 8.460 1.00 1.00 H new ATOM 0 HG2 ARG A 123 0.839 6.887 10.101 1.00 1.00 H new ATOM 0 HG3 ARG A 123 0.345 8.423 10.786 1.00 1.00 H new ATOM 0 HD2 ARG A 123 -0.677 6.679 12.127 1.00 1.00 H new ATOM 0 HD3 ARG A 123 -1.956 7.439 11.201 1.00 1.00 H new ATOM 0 HE ARG A 123 -0.921 5.227 9.684 1.00 1.00 H new ATOM 0 HH11 ARG A 123 -2.725 6.029 12.586 1.00 1.00 H new ATOM 0 HH12 ARG A 123 -3.659 4.530 12.576 1.00 1.00 H new ATOM 0 HH21 ARG A 123 -2.126 3.303 9.682 1.00 1.00 H new ATOM 0 HH22 ARG A 123 -3.323 3.000 10.946 1.00 1.00 H new ATOM 1467 N LEU A 124 0.534 10.497 9.366 1.00 1.00 N ATOM 1468 CA LEU A 124 1.183 11.558 10.128 1.00 1.00 C ATOM 1469 C LEU A 124 0.996 11.329 11.626 1.00 1.00 C ATOM 1470 O LEU A 124 -0.026 11.696 12.200 1.00 1.00 O ATOM 1471 CB LEU A 124 0.587 12.913 9.743 1.00 1.00 C ATOM 1472 CG LEU A 124 1.500 14.041 10.261 1.00 1.00 C ATOM 1473 CD1 LEU A 124 2.588 14.338 9.224 1.00 1.00 C ATOM 1474 CD2 LEU A 124 0.666 15.301 10.500 1.00 1.00 C ATOM 0 H LEU A 124 -0.485 10.535 9.368 1.00 1.00 H new ATOM 0 HA LEU A 124 2.248 11.549 9.898 1.00 1.00 H new ATOM 0 HB2 LEU A 124 0.484 12.982 8.660 1.00 1.00 H new ATOM 0 HB3 LEU A 124 -0.412 13.016 10.166 1.00 1.00 H new ATOM 0 HG LEU A 124 1.966 13.730 11.196 1.00 1.00 H new ATOM 0 HD11 LEU A 124 3.233 15.136 9.592 1.00 1.00 H new ATOM 0 HD12 LEU A 124 3.183 13.441 9.053 1.00 1.00 H new ATOM 0 HD13 LEU A 124 2.124 14.649 8.288 1.00 1.00 H new ATOM 0 HD21 LEU A 124 1.311 16.100 10.867 1.00 1.00 H new ATOM 0 HD22 LEU A 124 0.199 15.611 9.565 1.00 1.00 H new ATOM 0 HD23 LEU A 124 -0.107 15.091 11.239 1.00 1.00 H new ATOM 1486 N VAL A 125 2.000 10.727 12.255 1.00 1.00 N ATOM 1487 CA VAL A 125 1.942 10.453 13.688 1.00 1.00 C ATOM 1488 C VAL A 125 2.246 11.715 14.489 1.00 1.00 C ATOM 1489 O VAL A 125 2.918 12.623 14.004 1.00 1.00 O ATOM 1490 CB VAL A 125 2.953 9.357 14.052 1.00 1.00 C ATOM 1491 CG1 VAL A 125 2.371 7.984 13.710 1.00 1.00 C ATOM 1492 CG2 VAL A 125 4.245 9.576 13.256 1.00 1.00 C ATOM 0 H VAL A 125 2.859 10.421 11.799 1.00 1.00 H new ATOM 0 HA VAL A 125 0.935 10.115 13.934 1.00 1.00 H new ATOM 0 HB VAL A 125 3.167 9.401 15.120 1.00 1.00 H new ATOM 0 HG11 VAL A 125 3.092 7.208 13.970 1.00 1.00 H new ATOM 0 HG12 VAL A 125 1.451 7.828 14.274 1.00 1.00 H new ATOM 0 HG13 VAL A 125 2.155 7.936 12.643 1.00 1.00 H new ATOM 0 HG21 VAL A 125 4.966 8.799 13.512 1.00 1.00 H new ATOM 0 HG22 VAL A 125 4.027 9.532 12.189 1.00 1.00 H new ATOM 0 HG23 VAL A 125 4.662 10.553 13.501 1.00 1.00 H new ATOM 1502 N ASP A 126 1.735 11.766 15.714 1.00 1.00 N ATOM 1503 CA ASP A 126 1.943 12.926 16.569 1.00 1.00 C ATOM 1504 C ASP A 126 3.432 13.127 16.837 1.00 1.00 C ATOM 1505 O ASP A 126 4.099 12.250 17.385 1.00 1.00 O ATOM 1506 CB ASP A 126 1.208 12.735 17.897 1.00 1.00 C ATOM 1507 CG ASP A 126 1.387 13.968 18.776 1.00 1.00 C ATOM 1508 OD1 ASP A 126 2.163 14.831 18.398 1.00 1.00 O ATOM 1509 OD2 ASP A 126 0.749 14.031 19.813 1.00 1.00 O ATOM 0 H ASP A 126 1.177 11.022 16.134 1.00 1.00 H new ATOM 0 HA ASP A 126 1.550 13.806 16.060 1.00 1.00 H new ATOM 0 HB2 ASP A 126 0.148 12.560 17.713 1.00 1.00 H new ATOM 0 HB3 ASP A 126 1.592 11.854 18.411 1.00 1.00 H new ATOM 1514 N VAL A 127 3.945 14.285 16.435 1.00 1.00 N ATOM 1515 CA VAL A 127 5.357 14.590 16.624 1.00 1.00 C ATOM 1516 C VAL A 127 5.708 14.622 18.107 1.00 1.00 C ATOM 1517 O VAL A 127 6.749 14.112 18.518 1.00 1.00 O ATOM 1518 CB VAL A 127 5.683 15.942 15.988 1.00 1.00 C ATOM 1519 CG1 VAL A 127 5.132 15.987 14.560 1.00 1.00 C ATOM 1520 CG2 VAL A 127 5.056 17.064 16.815 1.00 1.00 C ATOM 0 H VAL A 127 3.408 15.023 15.979 1.00 1.00 H new ATOM 0 HA VAL A 127 5.947 13.809 16.144 1.00 1.00 H new ATOM 0 HB VAL A 127 6.765 16.075 15.961 1.00 1.00 H new ATOM 0 HG11 VAL A 127 5.366 16.952 14.110 1.00 1.00 H new ATOM 0 HG12 VAL A 127 5.586 15.191 13.970 1.00 1.00 H new ATOM 0 HG13 VAL A 127 4.051 15.850 14.583 1.00 1.00 H new ATOM 0 HG21 VAL A 127 5.290 18.026 16.359 1.00 1.00 H new ATOM 0 HG22 VAL A 127 3.975 16.931 16.848 1.00 1.00 H new ATOM 0 HG23 VAL A 127 5.456 17.036 17.829 1.00 1.00 H new ATOM 1530 N ALA A 128 4.830 15.223 18.902 1.00 1.00 N ATOM 1531 CA ALA A 128 5.052 15.314 20.340 1.00 1.00 C ATOM 1532 C ALA A 128 5.537 13.979 20.892 1.00 1.00 C ATOM 1533 O ALA A 128 6.106 13.914 21.980 1.00 1.00 O ATOM 1534 CB ALA A 128 3.760 15.723 21.043 1.00 1.00 C ATOM 0 H ALA A 128 3.963 15.652 18.578 1.00 1.00 H new ATOM 0 HA ALA A 128 5.817 16.068 20.524 1.00 1.00 H new ATOM 0 HB1 ALA A 128 3.935 15.789 22.117 1.00 1.00 H new ATOM 0 HB2 ALA A 128 3.434 16.693 20.669 1.00 1.00 H new ATOM 0 HB3 ALA A 128 2.988 14.980 20.846 1.00 1.00 H new ATOM 1540 N GLY A 129 5.300 12.913 20.134 1.00 1.00 N ATOM 1541 CA GLY A 129 5.713 11.581 20.557 1.00 1.00 C ATOM 1542 C GLY A 129 7.225 11.432 20.499 1.00 1.00 C ATOM 1543 O GLY A 129 7.834 10.821 21.379 1.00 1.00 O ATOM 0 H GLY A 129 4.828 12.945 19.231 1.00 1.00 H new ATOM 0 HA2 GLY A 129 5.365 11.395 21.573 1.00 1.00 H new ATOM 0 HA3 GLY A 129 5.246 10.832 19.918 1.00 1.00 H new ATOM 1547 N PHE A 130 7.832 11.976 19.447 1.00 1.00 N ATOM 1548 CA PHE A 130 9.282 11.882 19.275 1.00 1.00 C ATOM 1549 C PHE A 130 9.859 13.224 18.841 1.00 1.00 C ATOM 1550 O PHE A 130 10.814 13.276 18.067 1.00 1.00 O ATOM 1551 CB PHE A 130 9.606 10.818 18.224 1.00 1.00 C ATOM 1552 CG PHE A 130 8.686 9.637 18.401 1.00 1.00 C ATOM 1553 CD1 PHE A 130 9.031 8.606 19.284 1.00 1.00 C ATOM 1554 CD2 PHE A 130 7.488 9.569 17.681 1.00 1.00 C ATOM 1555 CE1 PHE A 130 8.176 7.510 19.448 1.00 1.00 C ATOM 1556 CE2 PHE A 130 6.634 8.473 17.844 1.00 1.00 C ATOM 1557 CZ PHE A 130 6.977 7.443 18.727 1.00 1.00 C ATOM 0 H PHE A 130 7.348 12.483 18.706 1.00 1.00 H new ATOM 0 HA PHE A 130 9.730 11.603 20.229 1.00 1.00 H new ATOM 0 HB2 PHE A 130 9.492 11.234 17.223 1.00 1.00 H new ATOM 0 HB3 PHE A 130 10.644 10.501 18.321 1.00 1.00 H new ATOM 0 HD1 PHE A 130 9.957 8.657 19.838 1.00 1.00 H new ATOM 0 HD2 PHE A 130 7.223 10.363 16.999 1.00 1.00 H new ATOM 0 HE1 PHE A 130 8.441 6.716 20.130 1.00 1.00 H new ATOM 0 HE2 PHE A 130 5.709 8.422 17.288 1.00 1.00 H new ATOM 0 HZ PHE A 130 6.318 6.597 18.852 1.00 1.00 H new ATOM 1567 N SER A 131 9.274 14.306 19.339 1.00 1.00 N ATOM 1568 CA SER A 131 9.739 15.650 19.004 1.00 1.00 C ATOM 1569 C SER A 131 10.599 16.217 20.122 1.00 1.00 C ATOM 1570 O SER A 131 10.280 16.069 21.299 1.00 1.00 O ATOM 1571 CB SER A 131 8.550 16.571 18.754 1.00 1.00 C ATOM 1572 OG SER A 131 8.989 17.921 18.762 1.00 1.00 O ATOM 0 H SER A 131 8.477 14.281 19.976 1.00 1.00 H new ATOM 0 HA SER A 131 10.341 15.585 18.098 1.00 1.00 H new ATOM 0 HB2 SER A 131 8.087 16.333 17.796 1.00 1.00 H new ATOM 0 HB3 SER A 131 7.791 16.419 19.521 1.00 1.00 H new ATOM 0 HG SER A 131 9.664 18.050 18.063 1.00 1.00 H new ATOM 1578 N ILE A 132 11.699 16.863 19.744 1.00 1.00 N ATOM 1579 CA ILE A 132 12.604 17.448 20.724 1.00 1.00 C ATOM 1580 C ILE A 132 11.985 18.680 21.342 1.00 1.00 C ATOM 1581 O ILE A 132 11.599 18.647 22.501 1.00 1.00 O ATOM 1582 CB ILE A 132 13.928 17.816 20.062 1.00 1.00 C ATOM 1583 CG1 ILE A 132 14.510 16.579 19.362 1.00 1.00 C ATOM 1584 CG2 ILE A 132 14.915 18.306 21.126 1.00 1.00 C ATOM 1585 CD1 ILE A 132 15.554 17.016 18.332 1.00 1.00 C ATOM 0 H ILE A 132 11.982 16.993 18.773 1.00 1.00 H new ATOM 0 HA ILE A 132 12.787 16.713 21.507 1.00 1.00 H new ATOM 0 HB ILE A 132 13.759 18.606 19.330 1.00 1.00 H new ATOM 0 HG12 ILE A 132 14.965 15.914 20.096 1.00 1.00 H new ATOM 0 HG13 ILE A 132 13.714 16.018 18.873 1.00 1.00 H new ATOM 0 HG21 ILE A 132 15.861 18.569 20.652 1.00 1.00 H new ATOM 0 HG22 ILE A 132 14.504 19.183 21.627 1.00 1.00 H new ATOM 0 HG23 ILE A 132 15.083 17.516 21.858 1.00 1.00 H new ATOM 0 HD11 ILE A 132 15.966 16.137 17.836 1.00 1.00 H new ATOM 0 HD12 ILE A 132 15.085 17.664 17.591 1.00 1.00 H new ATOM 0 HD13 ILE A 132 16.355 17.559 18.834 1.00 1.00 H new ATOM 1597 N PHE A 133 11.905 19.757 20.560 1.00 1.00 N ATOM 1598 CA PHE A 133 11.335 21.001 21.039 1.00 1.00 C ATOM 1599 C PHE A 133 12.185 21.593 22.131 1.00 1.00 C ATOM 1600 O PHE A 133 12.269 22.796 22.203 1.00 1.00 O ATOM 1601 CB PHE A 133 9.895 20.779 21.541 1.00 1.00 C ATOM 1602 CG PHE A 133 9.407 22.001 22.283 1.00 1.00 C ATOM 1603 CD1 PHE A 133 9.432 23.255 21.663 1.00 1.00 C ATOM 1604 CD2 PHE A 133 8.937 21.880 23.599 1.00 1.00 C ATOM 1605 CE1 PHE A 133 8.985 24.382 22.351 1.00 1.00 C ATOM 1606 CE2 PHE A 133 8.492 23.007 24.287 1.00 1.00 C ATOM 1607 CZ PHE A 133 8.516 24.260 23.664 1.00 1.00 C ATOM 0 H PHE A 133 12.230 19.786 19.593 1.00 1.00 H new ATOM 0 HA PHE A 133 11.308 21.704 20.206 1.00 1.00 H new ATOM 0 HB2 PHE A 133 9.237 20.569 20.698 1.00 1.00 H new ATOM 0 HB3 PHE A 133 9.861 19.909 22.196 1.00 1.00 H new ATOM 0 HD1 PHE A 133 9.798 23.350 20.651 1.00 1.00 H new ATOM 0 HD2 PHE A 133 8.920 20.913 24.079 1.00 1.00 H new ATOM 0 HE1 PHE A 133 9.001 25.349 21.871 1.00 1.00 H new ATOM 0 HE2 PHE A 133 8.129 22.914 25.300 1.00 1.00 H new ATOM 0 HZ PHE A 133 8.172 25.134 24.197 1.00 1.00 H new ATOM 1617 N ILE A 134 12.763 20.734 22.984 1.00 1.00 N ATOM 1618 CA ILE A 134 13.585 21.148 24.103 1.00 1.00 C ATOM 1619 C ILE A 134 13.609 20.067 25.184 1.00 1.00 C ATOM 1620 O ILE A 134 14.681 19.650 25.629 1.00 1.00 O ATOM 1621 CB ILE A 134 13.058 22.479 24.698 1.00 1.00 C ATOM 1622 CG1 ILE A 134 13.792 23.660 24.027 1.00 1.00 C ATOM 1623 CG2 ILE A 134 13.298 22.524 26.216 1.00 1.00 C ATOM 1624 CD1 ILE A 134 15.075 23.978 24.782 1.00 1.00 C ATOM 0 H ILE A 134 12.664 19.722 22.905 1.00 1.00 H new ATOM 0 HA ILE A 134 14.601 21.301 23.740 1.00 1.00 H new ATOM 0 HB ILE A 134 11.986 22.550 24.512 1.00 1.00 H new ATOM 0 HG12 ILE A 134 14.023 23.413 22.991 1.00 1.00 H new ATOM 0 HG13 ILE A 134 13.145 24.537 24.009 1.00 1.00 H new ATOM 0 HG21 ILE A 134 12.922 23.465 26.616 1.00 1.00 H new ATOM 0 HG22 ILE A 134 12.777 21.693 26.692 1.00 1.00 H new ATOM 0 HG23 ILE A 134 14.366 22.445 26.418 1.00 1.00 H new ATOM 0 HD11 ILE A 134 15.584 24.812 24.299 1.00 1.00 H new ATOM 0 HD12 ILE A 134 14.835 24.246 25.811 1.00 1.00 H new ATOM 0 HD13 ILE A 134 15.726 23.104 24.777 1.00 1.00 H new ATOM 1636 N PRO A 135 12.461 19.665 25.655 1.00 1.00 N ATOM 1637 CA PRO A 135 12.349 18.647 26.736 1.00 1.00 C ATOM 1638 C PRO A 135 12.962 17.317 26.322 1.00 1.00 C ATOM 1639 O PRO A 135 13.763 16.794 27.077 1.00 1.00 O ATOM 1640 CB PRO A 135 10.828 18.521 26.958 1.00 1.00 C ATOM 1641 CG PRO A 135 10.208 19.030 25.699 1.00 1.00 C ATOM 1642 CD PRO A 135 11.131 20.123 25.209 1.00 1.00 C ATOM 1643 OXT PRO A 135 12.608 16.831 25.259 1.00 1.00 O ATOM 0 HA PRO A 135 12.887 18.935 27.639 1.00 1.00 H new ATOM 0 HB2 PRO A 135 10.542 17.487 27.148 1.00 1.00 H new ATOM 0 HB3 PRO A 135 10.506 19.105 27.820 1.00 1.00 H new ATOM 0 HG2 PRO A 135 10.113 18.235 24.959 1.00 1.00 H new ATOM 0 HG3 PRO A 135 9.205 19.416 25.883 1.00 1.00 H new ATOM 0 HD2 PRO A 135 11.085 20.233 24.126 1.00 1.00 H new ATOM 0 HD3 PRO A 135 10.873 21.091 25.639 1.00 1.00 H new