USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=13 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 Set 1.1: A 116 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 120 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Set 2.1: A 71 GLN : amide:sc= -0.0109 K(o=-0.098,f=-1.2) USER MOD Set 2.2: A 73 CYS SG : rot 7:sc= -0.0874 USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= -1.37 USER MOD Set 3.2: A 89 MET CE :methyl 146:sc= -3.11 (180deg=-6.84!) USER MOD Single : A 42 SER OG : rot -27:sc= 0.0985 USER MOD Single : A 43 SER OG : rot -8:sc= 0.11! USER MOD Single : A 47 HIS : no HE2:sc= -4.49! C(o=-4.5!,f=-9.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.14) USER MOD Single : A 67 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.33) USER MOD Single : A 68 HIS : no HD1:sc= -1.29! K(o=-1.3!,f=-0.48) USER MOD Single : A 76 GLN : amide:sc= -1.22 K(o=-1.2,f=-6.6!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 82 HIS : no HD1:sc= -1.54 X(o=-1.5,f=-2) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc=-6.84e-05 K(o=-6.8e-05,f=-1.4!) USER MOD Single : A 108 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.53) USER MOD Single : A 111 LYS NZ :NH3+ -159:sc= 0.128 (180deg=-1.86!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 32:sc= 0.586 USER MOD Single : A 131 SER OG : rot -48:sc= 0.713 USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 39 0.734 10.749 -4.516 1.00 1.00 N ATOM 109 CA GLU A 39 1.542 11.762 -3.835 1.00 1.00 C ATOM 110 C GLU A 39 0.909 12.143 -2.500 1.00 1.00 C ATOM 111 O GLU A 39 0.056 13.028 -2.435 1.00 1.00 O ATOM 112 CB GLU A 39 1.657 13.006 -4.715 1.00 1.00 C ATOM 113 CG GLU A 39 2.498 12.684 -5.949 1.00 1.00 C ATOM 114 CD GLU A 39 2.569 13.905 -6.860 1.00 1.00 C ATOM 115 OE1 GLU A 39 1.962 14.907 -6.521 1.00 1.00 O ATOM 116 OE2 GLU A 39 3.233 13.821 -7.879 1.00 1.00 O ATOM 0 HA GLU A 39 2.533 11.349 -3.650 1.00 1.00 H new ATOM 0 HB2 GLU A 39 0.665 13.344 -5.016 1.00 1.00 H new ATOM 0 HB3 GLU A 39 2.114 13.820 -4.153 1.00 1.00 H new ATOM 0 HG2 GLU A 39 3.502 12.385 -5.648 1.00 1.00 H new ATOM 0 HG3 GLU A 39 2.063 11.842 -6.487 1.00 1.00 H new ATOM 123 N TRP A 40 1.332 11.459 -1.438 1.00 1.00 N ATOM 124 CA TRP A 40 0.811 11.716 -0.090 1.00 1.00 C ATOM 125 C TRP A 40 1.803 12.568 0.712 1.00 1.00 C ATOM 126 O TRP A 40 1.404 13.446 1.477 1.00 1.00 O ATOM 127 CB TRP A 40 0.543 10.371 0.629 1.00 1.00 C ATOM 128 CG TRP A 40 1.412 9.299 0.043 1.00 1.00 C ATOM 129 CD1 TRP A 40 1.284 8.787 -1.202 1.00 1.00 C ATOM 130 CD2 TRP A 40 2.532 8.607 0.655 1.00 1.00 C ATOM 131 NE1 TRP A 40 2.258 7.822 -1.390 1.00 1.00 N ATOM 132 CE2 TRP A 40 3.053 7.676 -0.272 1.00 1.00 C ATOM 133 CE3 TRP A 40 3.140 8.696 1.913 1.00 1.00 C ATOM 134 CZ2 TRP A 40 4.144 6.863 0.044 1.00 1.00 C ATOM 135 CZ3 TRP A 40 4.237 7.882 2.234 1.00 1.00 C ATOM 136 CH2 TRP A 40 4.739 6.967 1.299 1.00 1.00 C ATOM 0 H TRP A 40 2.035 10.721 -1.482 1.00 1.00 H new ATOM 0 HA TRP A 40 -0.126 12.268 -0.168 1.00 1.00 H new ATOM 0 HB2 TRP A 40 0.744 10.472 1.696 1.00 1.00 H new ATOM 0 HB3 TRP A 40 -0.507 10.097 0.527 1.00 1.00 H new ATOM 0 HD1 TRP A 40 0.543 9.083 -1.930 1.00 1.00 H new ATOM 0 HE1 TRP A 40 2.374 7.285 -2.249 1.00 1.00 H new ATOM 0 HE3 TRP A 40 2.762 9.397 2.642 1.00 1.00 H new ATOM 0 HZ2 TRP A 40 4.524 6.158 -0.681 1.00 1.00 H new ATOM 0 HZ3 TRP A 40 4.697 7.961 3.208 1.00 1.00 H new ATOM 0 HH2 TRP A 40 5.585 6.344 1.551 1.00 1.00 H new ATOM 147 N LEU A 41 3.091 12.302 0.530 1.00 1.00 N ATOM 148 CA LEU A 41 4.128 13.051 1.236 1.00 1.00 C ATOM 149 C LEU A 41 4.323 14.430 0.613 1.00 1.00 C ATOM 150 O LEU A 41 4.974 15.298 1.192 1.00 1.00 O ATOM 151 CB LEU A 41 5.446 12.252 1.199 1.00 1.00 C ATOM 152 CG LEU A 41 5.494 11.252 2.376 1.00 1.00 C ATOM 153 CD1 LEU A 41 6.376 10.059 2.018 1.00 1.00 C ATOM 154 CD2 LEU A 41 6.069 11.943 3.620 1.00 1.00 C ATOM 0 H LEU A 41 3.443 11.578 -0.096 1.00 1.00 H new ATOM 0 HA LEU A 41 3.819 13.195 2.271 1.00 1.00 H new ATOM 0 HB2 LEU A 41 5.529 11.717 0.253 1.00 1.00 H new ATOM 0 HB3 LEU A 41 6.295 12.933 1.256 1.00 1.00 H new ATOM 0 HG LEU A 41 4.481 10.905 2.580 1.00 1.00 H new ATOM 0 HD11 LEU A 41 6.402 9.361 2.855 1.00 1.00 H new ATOM 0 HD12 LEU A 41 5.970 9.557 1.140 1.00 1.00 H new ATOM 0 HD13 LEU A 41 7.387 10.405 1.803 1.00 1.00 H new ATOM 0 HD21 LEU A 41 6.101 11.234 4.448 1.00 1.00 H new ATOM 0 HD22 LEU A 41 7.077 12.297 3.406 1.00 1.00 H new ATOM 0 HD23 LEU A 41 5.437 12.789 3.891 1.00 1.00 H new ATOM 166 N SER A 42 3.751 14.627 -0.561 1.00 1.00 N ATOM 167 CA SER A 42 3.867 15.909 -1.240 1.00 1.00 C ATOM 168 C SER A 42 3.070 16.977 -0.499 1.00 1.00 C ATOM 169 O SER A 42 3.276 18.173 -0.698 1.00 1.00 O ATOM 170 CB SER A 42 3.362 15.777 -2.668 1.00 1.00 C ATOM 171 OG SER A 42 3.622 16.983 -3.371 1.00 1.00 O ATOM 0 H SER A 42 3.206 13.925 -1.062 1.00 1.00 H new ATOM 0 HA SER A 42 4.915 16.209 -1.255 1.00 1.00 H new ATOM 0 HB2 SER A 42 3.854 14.940 -3.164 1.00 1.00 H new ATOM 0 HB3 SER A 42 2.293 15.565 -2.670 1.00 1.00 H new ATOM 0 HG SER A 42 3.656 17.730 -2.738 1.00 1.00 H new ATOM 177 N SER A 43 2.155 16.530 0.354 1.00 1.00 N ATOM 178 CA SER A 43 1.323 17.445 1.127 1.00 1.00 C ATOM 179 C SER A 43 2.122 18.096 2.254 1.00 1.00 C ATOM 180 O SER A 43 1.680 19.078 2.852 1.00 1.00 O ATOM 181 CB SER A 43 0.124 16.696 1.713 1.00 1.00 C ATOM 182 OG SER A 43 -0.493 17.505 2.705 1.00 1.00 O ATOM 0 H SER A 43 1.971 15.542 0.528 1.00 1.00 H new ATOM 0 HA SER A 43 0.971 18.229 0.456 1.00 1.00 H new ATOM 0 HB2 SER A 43 -0.591 16.457 0.926 1.00 1.00 H new ATOM 0 HB3 SER A 43 0.448 15.750 2.148 1.00 1.00 H new ATOM 0 HG SER A 43 0.065 18.291 2.879 1.00 1.00 H new ATOM 188 N LEU A 44 3.304 17.543 2.538 1.00 1.00 N ATOM 189 CA LEU A 44 4.173 18.066 3.595 1.00 1.00 C ATOM 190 C LEU A 44 5.625 18.111 3.107 1.00 1.00 C ATOM 191 O LEU A 44 5.960 17.554 2.061 1.00 1.00 O ATOM 192 CB LEU A 44 4.075 17.169 4.846 1.00 1.00 C ATOM 193 CG LEU A 44 3.908 15.685 4.422 1.00 1.00 C ATOM 194 CD1 LEU A 44 4.604 14.769 5.439 1.00 1.00 C ATOM 195 CD2 LEU A 44 2.413 15.315 4.342 1.00 1.00 C ATOM 0 H LEU A 44 3.682 16.731 2.049 1.00 1.00 H new ATOM 0 HA LEU A 44 3.850 19.076 3.849 1.00 1.00 H new ATOM 0 HB2 LEU A 44 4.971 17.283 5.457 1.00 1.00 H new ATOM 0 HB3 LEU A 44 3.229 17.478 5.460 1.00 1.00 H new ATOM 0 HG LEU A 44 4.362 15.552 3.440 1.00 1.00 H new ATOM 0 HD11 LEU A 44 4.483 13.729 5.135 1.00 1.00 H new ATOM 0 HD12 LEU A 44 5.665 15.013 5.482 1.00 1.00 H new ATOM 0 HD13 LEU A 44 4.159 14.914 6.423 1.00 1.00 H new ATOM 0 HD21 LEU A 44 2.312 14.272 4.044 1.00 1.00 H new ATOM 0 HD22 LEU A 44 1.950 15.460 5.318 1.00 1.00 H new ATOM 0 HD23 LEU A 44 1.919 15.952 3.608 1.00 1.00 H new ATOM 207 N ARG A 45 6.478 18.776 3.886 1.00 1.00 N ATOM 208 CA ARG A 45 7.898 18.901 3.569 1.00 1.00 C ATOM 209 C ARG A 45 8.748 18.184 4.617 1.00 1.00 C ATOM 210 O ARG A 45 8.657 18.470 5.810 1.00 1.00 O ATOM 211 CB ARG A 45 8.289 20.378 3.524 1.00 1.00 C ATOM 212 CG ARG A 45 7.727 21.027 2.262 1.00 1.00 C ATOM 213 CD ARG A 45 8.122 22.500 2.224 1.00 1.00 C ATOM 214 NE ARG A 45 7.630 23.113 0.997 1.00 1.00 N ATOM 215 CZ ARG A 45 8.103 24.279 0.576 1.00 1.00 C ATOM 216 NH1 ARG A 45 9.020 24.897 1.269 1.00 1.00 N ATOM 217 NH2 ARG A 45 7.654 24.804 -0.530 1.00 1.00 N ATOM 0 H ARG A 45 6.204 19.241 4.751 1.00 1.00 H new ATOM 0 HA ARG A 45 8.077 18.443 2.596 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.908 20.891 4.407 1.00 1.00 H new ATOM 0 HB3 ARG A 45 9.374 20.476 3.541 1.00 1.00 H new ATOM 0 HG2 ARG A 45 8.107 20.515 1.378 1.00 1.00 H new ATOM 0 HG3 ARG A 45 6.641 20.931 2.244 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.711 23.018 3.090 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.206 22.596 2.280 1.00 1.00 H new ATOM 0 HE ARG A 45 6.910 22.638 0.453 1.00 1.00 H new ATOM 0 HH11 ARG A 45 9.372 24.484 2.133 1.00 1.00 H new ATOM 0 HH12 ARG A 45 9.385 25.793 0.947 1.00 1.00 H new ATOM 0 HH21 ARG A 45 6.939 24.318 -1.072 1.00 1.00 H new ATOM 0 HH22 ARG A 45 8.018 25.700 -0.853 1.00 1.00 H new ATOM 231 N ALA A 46 9.583 17.257 4.157 1.00 1.00 N ATOM 232 CA ALA A 46 10.464 16.498 5.042 1.00 1.00 C ATOM 233 C ALA A 46 11.899 16.965 4.865 1.00 1.00 C ATOM 234 O ALA A 46 12.262 17.485 3.811 1.00 1.00 O ATOM 235 CB ALA A 46 10.388 15.015 4.692 1.00 1.00 C ATOM 0 H ALA A 46 9.669 17.012 3.171 1.00 1.00 H new ATOM 0 HA ALA A 46 10.148 16.655 6.073 1.00 1.00 H new ATOM 0 HB1 ALA A 46 11.046 14.451 5.353 1.00 1.00 H new ATOM 0 HB2 ALA A 46 9.363 14.664 4.814 1.00 1.00 H new ATOM 0 HB3 ALA A 46 10.701 14.869 3.658 1.00 1.00 H new ATOM 241 N HIS A 47 12.712 16.773 5.896 1.00 1.00 N ATOM 242 CA HIS A 47 14.113 17.171 5.833 1.00 1.00 C ATOM 243 C HIS A 47 14.946 16.347 6.804 1.00 1.00 C ATOM 244 O HIS A 47 14.681 16.335 8.002 1.00 1.00 O ATOM 245 CB HIS A 47 14.246 18.662 6.158 1.00 1.00 C ATOM 246 CG HIS A 47 15.576 19.172 5.671 1.00 1.00 C ATOM 247 ND1 HIS A 47 16.663 19.333 6.515 1.00 1.00 N ATOM 248 CD2 HIS A 47 16.009 19.552 4.424 1.00 1.00 C ATOM 249 CE1 HIS A 47 17.686 19.792 5.771 1.00 1.00 C ATOM 250 NE2 HIS A 47 17.341 19.941 4.491 1.00 1.00 N ATOM 0 H HIS A 47 12.429 16.348 6.779 1.00 1.00 H new ATOM 0 HA HIS A 47 14.482 16.991 4.823 1.00 1.00 H new ATOM 0 HB2 HIS A 47 13.437 19.220 5.687 1.00 1.00 H new ATOM 0 HB3 HIS A 47 14.157 18.819 7.233 1.00 1.00 H new ATOM 0 HD1 HIS A 47 16.684 19.139 7.516 1.00 1.00 H new ATOM 0 HD2 HIS A 47 15.406 19.549 3.528 1.00 1.00 H new ATOM 0 HE1 HIS A 47 18.668 20.013 6.163 1.00 1.00 H new ATOM 259 N VAL A 48 15.969 15.672 6.283 1.00 1.00 N ATOM 260 CA VAL A 48 16.855 14.858 7.116 1.00 1.00 C ATOM 261 C VAL A 48 18.137 15.621 7.424 1.00 1.00 C ATOM 262 O VAL A 48 18.631 16.387 6.595 1.00 1.00 O ATOM 263 CB VAL A 48 17.199 13.553 6.392 1.00 1.00 C ATOM 264 CG1 VAL A 48 15.905 12.820 6.044 1.00 1.00 C ATOM 265 CG2 VAL A 48 17.983 13.845 5.105 1.00 1.00 C ATOM 0 H VAL A 48 16.205 15.672 5.291 1.00 1.00 H new ATOM 0 HA VAL A 48 16.342 14.630 8.050 1.00 1.00 H new ATOM 0 HB VAL A 48 17.816 12.935 7.044 1.00 1.00 H new ATOM 0 HG11 VAL A 48 16.141 11.889 5.528 1.00 1.00 H new ATOM 0 HG12 VAL A 48 15.355 12.598 6.959 1.00 1.00 H new ATOM 0 HG13 VAL A 48 15.294 13.449 5.397 1.00 1.00 H new ATOM 0 HG21 VAL A 48 18.220 12.907 4.602 1.00 1.00 H new ATOM 0 HG22 VAL A 48 17.380 14.468 4.445 1.00 1.00 H new ATOM 0 HG23 VAL A 48 18.907 14.367 5.353 1.00 1.00 H new ATOM 275 N VAL A 49 18.669 15.410 8.616 1.00 1.00 N ATOM 276 CA VAL A 49 19.896 16.084 9.025 1.00 1.00 C ATOM 277 C VAL A 49 21.103 15.484 8.307 1.00 1.00 C ATOM 278 O VAL A 49 21.156 14.285 8.064 1.00 1.00 O ATOM 279 CB VAL A 49 20.080 15.952 10.532 1.00 1.00 C ATOM 280 CG1 VAL A 49 18.937 16.663 11.247 1.00 1.00 C ATOM 281 CG2 VAL A 49 20.090 14.471 10.914 1.00 1.00 C ATOM 0 H VAL A 49 18.275 14.781 9.316 1.00 1.00 H new ATOM 0 HA VAL A 49 19.818 17.138 8.758 1.00 1.00 H new ATOM 0 HB VAL A 49 21.026 16.406 10.828 1.00 1.00 H new ATOM 0 HG11 VAL A 49 19.068 16.569 12.325 1.00 1.00 H new ATOM 0 HG12 VAL A 49 18.936 17.718 10.972 1.00 1.00 H new ATOM 0 HG13 VAL A 49 17.989 16.211 10.956 1.00 1.00 H new ATOM 0 HG21 VAL A 49 20.222 14.374 11.992 1.00 1.00 H new ATOM 0 HG22 VAL A 49 19.145 14.013 10.621 1.00 1.00 H new ATOM 0 HG23 VAL A 49 20.911 13.969 10.402 1.00 1.00 H new ATOM 291 N ARG A 50 22.070 16.325 7.965 1.00 1.00 N ATOM 292 CA ARG A 50 23.264 15.849 7.271 1.00 1.00 C ATOM 293 C ARG A 50 24.049 14.873 8.146 1.00 1.00 C ATOM 294 O ARG A 50 24.532 13.848 7.665 1.00 1.00 O ATOM 295 CB ARG A 50 24.162 17.039 6.894 1.00 1.00 C ATOM 296 CG ARG A 50 23.642 17.708 5.618 1.00 1.00 C ATOM 297 CD ARG A 50 22.156 18.026 5.770 1.00 1.00 C ATOM 298 NE ARG A 50 21.739 18.966 4.735 1.00 1.00 N ATOM 299 CZ ARG A 50 20.482 19.013 4.308 1.00 1.00 C ATOM 300 NH1 ARG A 50 19.593 18.202 4.813 1.00 1.00 N ATOM 301 NH2 ARG A 50 20.139 19.870 3.387 1.00 1.00 N ATOM 0 H ARG A 50 22.055 17.327 8.153 1.00 1.00 H new ATOM 0 HA ARG A 50 22.948 15.329 6.366 1.00 1.00 H new ATOM 0 HB2 ARG A 50 24.183 17.761 7.710 1.00 1.00 H new ATOM 0 HB3 ARG A 50 25.186 16.698 6.744 1.00 1.00 H new ATOM 0 HG2 ARG A 50 24.201 18.623 5.422 1.00 1.00 H new ATOM 0 HG3 ARG A 50 23.797 17.051 4.762 1.00 1.00 H new ATOM 0 HD2 ARG A 50 21.570 17.110 5.698 1.00 1.00 H new ATOM 0 HD3 ARG A 50 21.965 18.450 6.756 1.00 1.00 H new ATOM 0 HE ARG A 50 22.427 19.601 4.331 1.00 1.00 H new ATOM 0 HH11 ARG A 50 19.864 17.534 5.534 1.00 1.00 H new ATOM 0 HH12 ARG A 50 18.627 18.237 4.486 1.00 1.00 H new ATOM 0 HH21 ARG A 50 20.836 20.504 2.995 1.00 1.00 H new ATOM 0 HH22 ARG A 50 19.174 19.907 3.059 1.00 1.00 H new ATOM 315 N THR A 51 24.182 15.201 9.430 1.00 1.00 N ATOM 316 CA THR A 51 24.919 14.347 10.362 1.00 1.00 C ATOM 317 C THR A 51 23.955 13.520 11.201 1.00 1.00 C ATOM 318 O THR A 51 22.944 14.027 11.688 1.00 1.00 O ATOM 319 CB THR A 51 25.786 15.210 11.286 1.00 1.00 C ATOM 320 OG1 THR A 51 25.008 15.652 12.387 1.00 1.00 O ATOM 321 CG2 THR A 51 26.307 16.421 10.511 1.00 1.00 C ATOM 0 H THR A 51 23.792 16.046 9.848 1.00 1.00 H new ATOM 0 HA THR A 51 25.555 13.675 9.786 1.00 1.00 H new ATOM 0 HB THR A 51 26.628 14.621 11.649 1.00 1.00 H new ATOM 0 HG1 THR A 51 25.562 16.202 12.979 1.00 1.00 H new ATOM 0 HG21 THR A 51 26.924 17.035 11.167 1.00 1.00 H new ATOM 0 HG22 THR A 51 26.904 16.082 9.665 1.00 1.00 H new ATOM 0 HG23 THR A 51 25.465 17.010 10.148 1.00 1.00 H new ATOM 329 N GLY A 52 24.279 12.239 11.363 1.00 1.00 N ATOM 330 CA GLY A 52 23.443 11.329 12.144 1.00 1.00 C ATOM 331 C GLY A 52 22.506 10.532 11.239 1.00 1.00 C ATOM 332 O GLY A 52 22.003 9.478 11.629 1.00 1.00 O ATOM 0 H GLY A 52 25.113 11.808 10.965 1.00 1.00 H new ATOM 0 HA2 GLY A 52 24.075 10.645 12.711 1.00 1.00 H new ATOM 0 HA3 GLY A 52 22.859 11.897 12.868 1.00 1.00 H new ATOM 336 N ILE A 53 22.282 11.032 10.026 1.00 1.00 N ATOM 337 CA ILE A 53 21.407 10.354 9.060 1.00 1.00 C ATOM 338 C ILE A 53 22.126 10.163 7.726 1.00 1.00 C ATOM 339 O ILE A 53 21.550 9.665 6.759 1.00 1.00 O ATOM 340 CB ILE A 53 20.135 11.179 8.845 1.00 1.00 C ATOM 341 CG1 ILE A 53 19.323 11.252 10.150 1.00 1.00 C ATOM 342 CG2 ILE A 53 19.290 10.580 7.708 1.00 1.00 C ATOM 343 CD1 ILE A 53 18.876 9.859 10.626 1.00 1.00 C ATOM 0 H ILE A 53 22.691 11.902 9.685 1.00 1.00 H new ATOM 0 HA ILE A 53 21.143 9.374 9.459 1.00 1.00 H new ATOM 0 HB ILE A 53 20.418 12.192 8.558 1.00 1.00 H new ATOM 0 HG12 ILE A 53 19.925 11.725 10.926 1.00 1.00 H new ATOM 0 HG13 ILE A 53 18.447 11.882 9.998 1.00 1.00 H new ATOM 0 HG21 ILE A 53 18.390 11.179 7.569 1.00 1.00 H new ATOM 0 HG22 ILE A 53 19.871 10.578 6.785 1.00 1.00 H new ATOM 0 HG23 ILE A 53 19.010 9.558 7.963 1.00 1.00 H new ATOM 0 HD11 ILE A 53 18.306 9.956 11.550 1.00 1.00 H new ATOM 0 HD12 ILE A 53 18.252 9.396 9.861 1.00 1.00 H new ATOM 0 HD13 ILE A 53 19.753 9.237 10.804 1.00 1.00 H new ATOM 355 N GLY A 54 23.395 10.548 7.679 1.00 1.00 N ATOM 356 CA GLY A 54 24.192 10.404 6.456 1.00 1.00 C ATOM 357 C GLY A 54 25.054 9.151 6.529 1.00 1.00 C ATOM 358 O GLY A 54 26.117 9.079 5.913 1.00 1.00 O ATOM 0 H GLY A 54 23.897 10.960 8.465 1.00 1.00 H new ATOM 0 HA2 GLY A 54 23.533 10.350 5.589 1.00 1.00 H new ATOM 0 HA3 GLY A 54 24.825 11.281 6.321 1.00 1.00 H new ATOM 362 N ARG A 55 24.601 8.173 7.307 1.00 1.00 N ATOM 363 CA ARG A 55 25.358 6.939 7.477 1.00 1.00 C ATOM 364 C ARG A 55 25.485 6.195 6.148 1.00 1.00 C ATOM 365 O ARG A 55 26.569 5.748 5.776 1.00 1.00 O ATOM 366 CB ARG A 55 24.657 6.032 8.507 1.00 1.00 C ATOM 367 CG ARG A 55 23.908 6.893 9.535 1.00 1.00 C ATOM 368 CD ARG A 55 23.694 6.090 10.821 1.00 1.00 C ATOM 369 NE ARG A 55 22.926 4.878 10.552 1.00 1.00 N ATOM 370 CZ ARG A 55 21.597 4.866 10.613 1.00 1.00 C ATOM 371 NH1 ARG A 55 20.943 5.955 10.917 1.00 1.00 N ATOM 372 NH2 ARG A 55 20.946 3.766 10.359 1.00 1.00 N ATOM 0 H ARG A 55 23.723 8.210 7.825 1.00 1.00 H new ATOM 0 HA ARG A 55 26.356 7.195 7.833 1.00 1.00 H new ATOM 0 HB2 ARG A 55 23.960 5.364 8.002 1.00 1.00 H new ATOM 0 HB3 ARG A 55 25.391 5.404 9.011 1.00 1.00 H new ATOM 0 HG2 ARG A 55 24.477 7.798 9.750 1.00 1.00 H new ATOM 0 HG3 ARG A 55 22.948 7.210 9.128 1.00 1.00 H new ATOM 0 HD2 ARG A 55 24.658 5.826 11.255 1.00 1.00 H new ATOM 0 HD3 ARG A 55 23.171 6.703 11.555 1.00 1.00 H new ATOM 0 HE ARG A 55 23.421 4.019 10.311 1.00 1.00 H new ATOM 0 HH11 ARG A 55 21.451 6.818 11.109 1.00 1.00 H new ATOM 0 HH12 ARG A 55 19.924 5.942 10.963 1.00 1.00 H new ATOM 0 HH21 ARG A 55 21.455 2.917 10.114 1.00 1.00 H new ATOM 0 HH22 ARG A 55 19.927 3.754 10.405 1.00 1.00 H new ATOM 386 N ALA A 56 24.362 6.065 5.444 1.00 1.00 N ATOM 387 CA ALA A 56 24.339 5.371 4.159 1.00 1.00 C ATOM 388 C ALA A 56 22.898 5.059 3.754 1.00 1.00 C ATOM 389 O ALA A 56 22.413 5.540 2.732 1.00 1.00 O ATOM 390 CB ALA A 56 25.154 4.067 4.249 1.00 1.00 C ATOM 0 H ALA A 56 23.458 6.431 5.742 1.00 1.00 H new ATOM 0 HA ALA A 56 24.785 6.017 3.403 1.00 1.00 H new ATOM 0 HB1 ALA A 56 25.131 3.556 3.286 1.00 1.00 H new ATOM 0 HB2 ALA A 56 26.186 4.300 4.512 1.00 1.00 H new ATOM 0 HB3 ALA A 56 24.723 3.420 5.013 1.00 1.00 H new ATOM 396 N ARG A 57 22.224 4.246 4.564 1.00 1.00 N ATOM 397 CA ARG A 57 20.839 3.868 4.289 1.00 1.00 C ATOM 398 C ARG A 57 19.874 4.826 4.980 1.00 1.00 C ATOM 399 O ARG A 57 18.737 5.001 4.540 1.00 1.00 O ATOM 400 CB ARG A 57 20.589 2.437 4.783 1.00 1.00 C ATOM 401 CG ARG A 57 20.638 2.380 6.336 1.00 1.00 C ATOM 402 CD ARG A 57 19.220 2.322 6.916 1.00 1.00 C ATOM 403 NE ARG A 57 19.260 2.506 8.360 1.00 1.00 N ATOM 404 CZ ARG A 57 18.161 2.805 9.039 1.00 1.00 C ATOM 405 NH1 ARG A 57 17.028 2.946 8.408 1.00 1.00 N ATOM 406 NH2 ARG A 57 18.215 2.959 10.333 1.00 1.00 N ATOM 0 H ARG A 57 22.612 3.837 5.414 1.00 1.00 H new ATOM 0 HA ARG A 57 20.669 3.919 3.214 1.00 1.00 H new ATOM 0 HB2 ARG A 57 19.618 2.089 4.431 1.00 1.00 H new ATOM 0 HB3 ARG A 57 21.339 1.766 4.365 1.00 1.00 H new ATOM 0 HG2 ARG A 57 21.204 1.505 6.656 1.00 1.00 H new ATOM 0 HG3 ARG A 57 21.160 3.256 6.722 1.00 1.00 H new ATOM 0 HD2 ARG A 57 18.601 3.095 6.461 1.00 1.00 H new ATOM 0 HD3 ARG A 57 18.760 1.363 6.677 1.00 1.00 H new ATOM 0 HE ARG A 57 20.145 2.403 8.856 1.00 1.00 H new ATOM 0 HH11 ARG A 57 16.990 2.826 7.396 1.00 1.00 H new ATOM 0 HH12 ARG A 57 16.180 3.176 8.927 1.00 1.00 H new ATOM 0 HH21 ARG A 57 19.103 2.849 10.823 1.00 1.00 H new ATOM 0 HH22 ARG A 57 17.369 3.189 10.855 1.00 1.00 H new ATOM 420 N ALA A 58 20.333 5.446 6.063 1.00 1.00 N ATOM 421 CA ALA A 58 19.495 6.383 6.799 1.00 1.00 C ATOM 422 C ALA A 58 19.125 7.571 5.920 1.00 1.00 C ATOM 423 O ALA A 58 18.011 8.074 5.984 1.00 1.00 O ATOM 424 CB ALA A 58 20.229 6.865 8.052 1.00 1.00 C ATOM 0 H ALA A 58 21.270 5.318 6.446 1.00 1.00 H new ATOM 0 HA ALA A 58 18.578 5.873 7.096 1.00 1.00 H new ATOM 0 HB1 ALA A 58 19.596 7.565 8.597 1.00 1.00 H new ATOM 0 HB2 ALA A 58 20.459 6.012 8.690 1.00 1.00 H new ATOM 0 HB3 ALA A 58 21.155 7.362 7.763 1.00 1.00 H new ATOM 430 N GLU A 59 20.069 8.012 5.101 1.00 1.00 N ATOM 431 CA GLU A 59 19.830 9.138 4.206 1.00 1.00 C ATOM 432 C GLU A 59 18.773 8.776 3.173 1.00 1.00 C ATOM 433 O GLU A 59 17.922 9.590 2.835 1.00 1.00 O ATOM 434 CB GLU A 59 21.136 9.543 3.517 1.00 1.00 C ATOM 435 CG GLU A 59 21.934 8.285 3.166 1.00 1.00 C ATOM 436 CD GLU A 59 23.066 8.629 2.201 1.00 1.00 C ATOM 437 OE1 GLU A 59 24.012 9.266 2.632 1.00 1.00 O ATOM 438 OE2 GLU A 59 22.970 8.246 1.046 1.00 1.00 O ATOM 0 H GLU A 59 21.004 7.610 5.037 1.00 1.00 H new ATOM 0 HA GLU A 59 19.465 9.983 4.790 1.00 1.00 H new ATOM 0 HB2 GLU A 59 20.922 10.115 2.614 1.00 1.00 H new ATOM 0 HB3 GLU A 59 21.721 10.188 4.172 1.00 1.00 H new ATOM 0 HG2 GLU A 59 22.343 7.840 4.073 1.00 1.00 H new ATOM 0 HG3 GLU A 59 21.276 7.542 2.715 1.00 1.00 H new ATOM 445 N LEU A 60 18.837 7.551 2.675 1.00 1.00 N ATOM 446 CA LEU A 60 17.880 7.088 1.674 1.00 1.00 C ATOM 447 C LEU A 60 16.456 7.501 2.049 1.00 1.00 C ATOM 448 O LEU A 60 15.549 7.490 1.218 1.00 1.00 O ATOM 449 CB LEU A 60 17.961 5.561 1.533 1.00 1.00 C ATOM 450 CG LEU A 60 17.410 5.129 0.153 1.00 1.00 C ATOM 451 CD1 LEU A 60 18.530 5.159 -0.894 1.00 1.00 C ATOM 452 CD2 LEU A 60 16.840 3.710 0.240 1.00 1.00 C ATOM 0 H LEU A 60 19.537 6.860 2.944 1.00 1.00 H new ATOM 0 HA LEU A 60 18.133 7.551 0.720 1.00 1.00 H new ATOM 0 HB2 LEU A 60 18.994 5.232 1.641 1.00 1.00 H new ATOM 0 HB3 LEU A 60 17.389 5.083 2.328 1.00 1.00 H new ATOM 0 HG LEU A 60 16.621 5.822 -0.140 1.00 1.00 H new ATOM 0 HD11 LEU A 60 18.132 4.853 -1.862 1.00 1.00 H new ATOM 0 HD12 LEU A 60 18.931 6.170 -0.969 1.00 1.00 H new ATOM 0 HD13 LEU A 60 19.325 4.475 -0.596 1.00 1.00 H new ATOM 0 HD21 LEU A 60 16.454 3.413 -0.735 1.00 1.00 H new ATOM 0 HD22 LEU A 60 17.627 3.020 0.545 1.00 1.00 H new ATOM 0 HD23 LEU A 60 16.033 3.686 0.972 1.00 1.00 H new ATOM 464 N PHE A 61 16.282 7.865 3.309 1.00 1.00 N ATOM 465 CA PHE A 61 14.982 8.283 3.813 1.00 1.00 C ATOM 466 C PHE A 61 14.463 9.490 3.031 1.00 1.00 C ATOM 467 O PHE A 61 13.290 9.547 2.674 1.00 1.00 O ATOM 468 CB PHE A 61 15.106 8.641 5.305 1.00 1.00 C ATOM 469 CG PHE A 61 15.022 7.384 6.152 1.00 1.00 C ATOM 470 CD1 PHE A 61 15.892 6.312 5.911 1.00 1.00 C ATOM 471 CD2 PHE A 61 14.064 7.287 7.173 1.00 1.00 C ATOM 472 CE1 PHE A 61 15.808 5.151 6.687 1.00 1.00 C ATOM 473 CE2 PHE A 61 13.980 6.124 7.947 1.00 1.00 C ATOM 474 CZ PHE A 61 14.851 5.057 7.703 1.00 1.00 C ATOM 0 H PHE A 61 17.028 7.880 4.005 1.00 1.00 H new ATOM 0 HA PHE A 61 14.274 7.463 3.689 1.00 1.00 H new ATOM 0 HB2 PHE A 61 16.053 9.149 5.488 1.00 1.00 H new ATOM 0 HB3 PHE A 61 14.313 9.333 5.588 1.00 1.00 H new ATOM 0 HD1 PHE A 61 16.629 6.382 5.125 1.00 1.00 H new ATOM 0 HD2 PHE A 61 13.391 8.110 7.362 1.00 1.00 H new ATOM 0 HE1 PHE A 61 16.482 4.328 6.502 1.00 1.00 H new ATOM 0 HE2 PHE A 61 13.243 6.050 8.733 1.00 1.00 H new ATOM 0 HZ PHE A 61 14.785 4.159 8.300 1.00 1.00 H new ATOM 484 N GLU A 62 15.337 10.451 2.774 1.00 1.00 N ATOM 485 CA GLU A 62 14.948 11.648 2.044 1.00 1.00 C ATOM 486 C GLU A 62 14.600 11.318 0.595 1.00 1.00 C ATOM 487 O GLU A 62 13.626 11.827 0.047 1.00 1.00 O ATOM 488 CB GLU A 62 16.091 12.667 2.094 1.00 1.00 C ATOM 489 CG GLU A 62 17.212 12.255 1.133 1.00 1.00 C ATOM 490 CD GLU A 62 18.477 13.057 1.415 1.00 1.00 C ATOM 491 OE1 GLU A 62 18.353 14.201 1.818 1.00 1.00 O ATOM 492 OE2 GLU A 62 19.553 12.515 1.221 1.00 1.00 O ATOM 0 H GLU A 62 16.316 10.426 3.059 1.00 1.00 H new ATOM 0 HA GLU A 62 14.060 12.071 2.513 1.00 1.00 H new ATOM 0 HB2 GLU A 62 15.718 13.656 1.826 1.00 1.00 H new ATOM 0 HB3 GLU A 62 16.481 12.737 3.110 1.00 1.00 H new ATOM 0 HG2 GLU A 62 17.418 11.190 1.240 1.00 1.00 H new ATOM 0 HG3 GLU A 62 16.894 12.416 0.103 1.00 1.00 H new ATOM 499 N LYS A 63 15.408 10.468 -0.020 1.00 1.00 N ATOM 500 CA LYS A 63 15.178 10.083 -1.403 1.00 1.00 C ATOM 501 C LYS A 63 13.856 9.336 -1.528 1.00 1.00 C ATOM 502 O LYS A 63 13.067 9.591 -2.438 1.00 1.00 O ATOM 503 CB LYS A 63 16.328 9.192 -1.853 1.00 1.00 C ATOM 504 CG LYS A 63 17.618 10.012 -1.878 1.00 1.00 C ATOM 505 CD LYS A 63 18.799 9.072 -2.083 1.00 1.00 C ATOM 506 CE LYS A 63 20.104 9.868 -2.078 1.00 1.00 C ATOM 507 NZ LYS A 63 21.259 8.937 -2.239 1.00 1.00 N ATOM 0 H LYS A 63 16.223 10.034 0.413 1.00 1.00 H new ATOM 0 HA LYS A 63 15.128 10.972 -2.032 1.00 1.00 H new ATOM 0 HB2 LYS A 63 16.434 8.345 -1.175 1.00 1.00 H new ATOM 0 HB3 LYS A 63 16.123 8.785 -2.843 1.00 1.00 H new ATOM 0 HG2 LYS A 63 17.580 10.749 -2.680 1.00 1.00 H new ATOM 0 HG3 LYS A 63 17.732 10.562 -0.944 1.00 1.00 H new ATOM 0 HD2 LYS A 63 18.818 8.320 -1.294 1.00 1.00 H new ATOM 0 HD3 LYS A 63 18.691 8.539 -3.028 1.00 1.00 H new ATOM 0 HE2 LYS A 63 20.098 10.600 -2.886 1.00 1.00 H new ATOM 0 HE3 LYS A 63 20.199 10.424 -1.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 22.146 9.480 -2.235 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 21.267 8.255 -1.454 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 21.170 8.426 -3.140 1.00 1.00 H new ATOM 521 N GLN A 64 13.624 8.412 -0.602 1.00 1.00 N ATOM 522 CA GLN A 64 12.394 7.629 -0.610 1.00 1.00 C ATOM 523 C GLN A 64 11.184 8.558 -0.584 1.00 1.00 C ATOM 524 O GLN A 64 10.174 8.294 -1.237 1.00 1.00 O ATOM 525 CB GLN A 64 12.358 6.682 0.595 1.00 1.00 C ATOM 526 CG GLN A 64 13.325 5.516 0.362 1.00 1.00 C ATOM 527 CD GLN A 64 12.723 4.528 -0.632 1.00 1.00 C ATOM 528 OE1 GLN A 64 13.360 4.176 -1.625 1.00 1.00 O ATOM 529 NE2 GLN A 64 11.524 4.057 -0.422 1.00 1.00 N ATOM 0 H GLN A 64 14.266 8.188 0.158 1.00 1.00 H new ATOM 0 HA GLN A 64 12.364 7.033 -1.522 1.00 1.00 H new ATOM 0 HB2 GLN A 64 12.634 7.220 1.502 1.00 1.00 H new ATOM 0 HB3 GLN A 64 11.346 6.304 0.743 1.00 1.00 H new ATOM 0 HG2 GLN A 64 14.276 5.892 -0.017 1.00 1.00 H new ATOM 0 HG3 GLN A 64 13.534 5.013 1.306 1.00 1.00 H new ATOM 0 HE21 GLN A 64 10.998 4.350 0.401 1.00 1.00 H new ATOM 0 HE22 GLN A 64 11.113 3.396 -1.081 1.00 1.00 H new ATOM 538 N ILE A 65 11.299 9.651 0.165 1.00 1.00 N ATOM 539 CA ILE A 65 10.213 10.622 0.259 1.00 1.00 C ATOM 540 C ILE A 65 9.943 11.262 -1.101 1.00 1.00 C ATOM 541 O ILE A 65 8.797 11.406 -1.508 1.00 1.00 O ATOM 542 CB ILE A 65 10.578 11.711 1.285 1.00 1.00 C ATOM 543 CG1 ILE A 65 10.588 11.100 2.703 1.00 1.00 C ATOM 544 CG2 ILE A 65 9.560 12.865 1.223 1.00 1.00 C ATOM 545 CD1 ILE A 65 11.368 11.994 3.692 1.00 1.00 C ATOM 0 H ILE A 65 12.127 9.886 0.712 1.00 1.00 H new ATOM 0 HA ILE A 65 9.310 10.104 0.583 1.00 1.00 H new ATOM 0 HB ILE A 65 11.567 12.103 1.050 1.00 1.00 H new ATOM 0 HG12 ILE A 65 9.564 10.973 3.054 1.00 1.00 H new ATOM 0 HG13 ILE A 65 11.040 10.108 2.671 1.00 1.00 H new ATOM 0 HG21 ILE A 65 9.830 13.628 1.953 1.00 1.00 H new ATOM 0 HG22 ILE A 65 9.565 13.301 0.224 1.00 1.00 H new ATOM 0 HG23 ILE A 65 8.564 12.484 1.448 1.00 1.00 H new ATOM 0 HD11 ILE A 65 11.357 11.537 4.682 1.00 1.00 H new ATOM 0 HD12 ILE A 65 12.398 12.100 3.352 1.00 1.00 H new ATOM 0 HD13 ILE A 65 10.900 12.977 3.741 1.00 1.00 H new ATOM 557 N VAL A 66 11.004 11.641 -1.801 1.00 1.00 N ATOM 558 CA VAL A 66 10.854 12.271 -3.097 1.00 1.00 C ATOM 559 C VAL A 66 10.115 11.355 -4.061 1.00 1.00 C ATOM 560 O VAL A 66 9.223 11.793 -4.786 1.00 1.00 O ATOM 561 CB VAL A 66 12.235 12.608 -3.661 1.00 1.00 C ATOM 562 CG1 VAL A 66 12.088 13.131 -5.083 1.00 1.00 C ATOM 563 CG2 VAL A 66 12.881 13.686 -2.798 1.00 1.00 C ATOM 0 H VAL A 66 11.969 11.523 -1.493 1.00 1.00 H new ATOM 0 HA VAL A 66 10.271 13.184 -2.976 1.00 1.00 H new ATOM 0 HB VAL A 66 12.856 11.712 -3.662 1.00 1.00 H new ATOM 0 HG11 VAL A 66 13.072 13.371 -5.486 1.00 1.00 H new ATOM 0 HG12 VAL A 66 11.618 12.369 -5.704 1.00 1.00 H new ATOM 0 HG13 VAL A 66 11.469 14.028 -5.079 1.00 1.00 H new ATOM 0 HG21 VAL A 66 13.866 13.929 -3.197 1.00 1.00 H new ATOM 0 HG22 VAL A 66 12.256 14.579 -2.804 1.00 1.00 H new ATOM 0 HG23 VAL A 66 12.983 13.321 -1.776 1.00 1.00 H new ATOM 573 N GLN A 67 10.496 10.090 -4.072 1.00 1.00 N ATOM 574 CA GLN A 67 9.866 9.125 -4.958 1.00 1.00 C ATOM 575 C GLN A 67 8.360 9.093 -4.735 1.00 1.00 C ATOM 576 O GLN A 67 7.591 8.903 -5.676 1.00 1.00 O ATOM 577 CB GLN A 67 10.450 7.735 -4.708 1.00 1.00 C ATOM 578 CG GLN A 67 11.945 7.739 -5.036 1.00 1.00 C ATOM 579 CD GLN A 67 12.155 7.997 -6.524 1.00 1.00 C ATOM 580 OE1 GLN A 67 11.563 7.316 -7.362 1.00 1.00 O ATOM 581 NE2 GLN A 67 12.965 8.946 -6.905 1.00 1.00 N ATOM 0 H GLN A 67 11.234 9.708 -3.481 1.00 1.00 H new ATOM 0 HA GLN A 67 10.060 9.424 -5.988 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.296 7.447 -3.668 1.00 1.00 H new ATOM 0 HB3 GLN A 67 9.935 6.997 -5.323 1.00 1.00 H new ATOM 0 HG2 GLN A 67 12.451 8.507 -4.451 1.00 1.00 H new ATOM 0 HG3 GLN A 67 12.389 6.783 -4.759 1.00 1.00 H new ATOM 0 HE21 GLN A 67 13.454 9.509 -6.209 1.00 1.00 H new ATOM 0 HE22 GLN A 67 13.109 9.125 -7.899 1.00 1.00 H new ATOM 590 N HIS A 68 7.943 9.266 -3.483 1.00 1.00 N ATOM 591 CA HIS A 68 6.520 9.246 -3.144 1.00 1.00 C ATOM 592 C HIS A 68 5.992 10.660 -2.897 1.00 1.00 C ATOM 593 O HIS A 68 4.924 10.837 -2.311 1.00 1.00 O ATOM 594 CB HIS A 68 6.303 8.392 -1.895 1.00 1.00 C ATOM 595 CG HIS A 68 7.227 7.206 -1.931 1.00 1.00 C ATOM 596 ND1 HIS A 68 7.714 6.614 -0.775 1.00 1.00 N ATOM 597 CD2 HIS A 68 7.770 6.495 -2.973 1.00 1.00 C ATOM 598 CE1 HIS A 68 8.512 5.597 -1.145 1.00 1.00 C ATOM 599 NE2 HIS A 68 8.581 5.480 -2.474 1.00 1.00 N ATOM 0 H HIS A 68 8.565 9.421 -2.690 1.00 1.00 H new ATOM 0 HA HIS A 68 5.973 8.819 -3.985 1.00 1.00 H new ATOM 0 HB2 HIS A 68 6.490 8.985 -0.999 1.00 1.00 H new ATOM 0 HB3 HIS A 68 5.267 8.058 -1.846 1.00 1.00 H new ATOM 0 HD2 HIS A 68 7.594 6.693 -4.020 1.00 1.00 H new ATOM 0 HE1 HIS A 68 9.034 4.953 -0.452 1.00 1.00 H new ATOM 0 HE2 HIS A 68 9.114 4.794 -3.008 1.00 1.00 H new ATOM 608 N GLY A 69 6.746 11.660 -3.342 1.00 1.00 N ATOM 609 CA GLY A 69 6.346 13.056 -3.161 1.00 1.00 C ATOM 610 C GLY A 69 6.898 13.614 -1.854 1.00 1.00 C ATOM 611 O GLY A 69 7.142 12.872 -0.908 1.00 1.00 O ATOM 0 H GLY A 69 7.634 11.534 -3.829 1.00 1.00 H new ATOM 0 HA2 GLY A 69 6.707 13.654 -3.998 1.00 1.00 H new ATOM 0 HA3 GLY A 69 5.259 13.130 -3.162 1.00 1.00 H new ATOM 615 N GLY A 70 7.101 14.929 -1.804 1.00 1.00 N ATOM 616 CA GLY A 70 7.637 15.577 -0.601 1.00 1.00 C ATOM 617 C GLY A 70 9.045 16.088 -0.867 1.00 1.00 C ATOM 618 O GLY A 70 9.976 15.800 -0.113 1.00 1.00 O ATOM 0 H GLY A 70 6.905 15.567 -2.576 1.00 1.00 H new ATOM 0 HA2 GLY A 70 6.991 16.404 -0.305 1.00 1.00 H new ATOM 0 HA3 GLY A 70 7.649 14.870 0.228 1.00 1.00 H new ATOM 622 N GLN A 71 9.196 16.843 -1.951 1.00 1.00 N ATOM 623 CA GLN A 71 10.500 17.384 -2.316 1.00 1.00 C ATOM 624 C GLN A 71 11.211 17.928 -1.087 1.00 1.00 C ATOM 625 O GLN A 71 10.582 18.495 -0.195 1.00 1.00 O ATOM 626 CB GLN A 71 10.321 18.509 -3.340 1.00 1.00 C ATOM 627 CG GLN A 71 9.471 19.628 -2.731 1.00 1.00 C ATOM 628 CD GLN A 71 9.192 20.705 -3.774 1.00 1.00 C ATOM 629 OE1 GLN A 71 9.053 20.402 -4.958 1.00 1.00 O ATOM 630 NE2 GLN A 71 9.105 21.953 -3.402 1.00 1.00 N ATOM 0 H GLN A 71 8.438 17.092 -2.587 1.00 1.00 H new ATOM 0 HA GLN A 71 11.102 16.585 -2.748 1.00 1.00 H new ATOM 0 HB2 GLN A 71 11.293 18.900 -3.640 1.00 1.00 H new ATOM 0 HB3 GLN A 71 9.841 18.123 -4.239 1.00 1.00 H new ATOM 0 HG2 GLN A 71 8.531 19.219 -2.359 1.00 1.00 H new ATOM 0 HG3 GLN A 71 9.989 20.064 -1.877 1.00 1.00 H new ATOM 0 HE21 GLN A 71 9.221 22.202 -2.420 1.00 1.00 H new ATOM 0 HE22 GLN A 71 8.921 22.680 -4.094 1.00 1.00 H new ATOM 639 N LEU A 72 12.521 17.751 -1.042 1.00 1.00 N ATOM 640 CA LEU A 72 13.297 18.224 0.081 1.00 1.00 C ATOM 641 C LEU A 72 13.561 19.708 -0.056 1.00 1.00 C ATOM 642 O LEU A 72 13.896 20.196 -1.134 1.00 1.00 O ATOM 643 CB LEU A 72 14.614 17.454 0.122 1.00 1.00 C ATOM 644 CG LEU A 72 14.382 16.062 0.733 1.00 1.00 C ATOM 645 CD1 LEU A 72 14.170 16.160 2.266 1.00 1.00 C ATOM 646 CD2 LEU A 72 13.180 15.392 0.063 1.00 1.00 C ATOM 0 H LEU A 72 13.063 17.285 -1.769 1.00 1.00 H new ATOM 0 HA LEU A 72 12.746 18.060 1.007 1.00 1.00 H new ATOM 0 HB2 LEU A 72 15.021 17.357 -0.885 1.00 1.00 H new ATOM 0 HB3 LEU A 72 15.349 18.003 0.711 1.00 1.00 H new ATOM 0 HG LEU A 72 15.268 15.452 0.557 1.00 1.00 H new ATOM 0 HD11 LEU A 72 14.008 15.163 2.675 1.00 1.00 H new ATOM 0 HD12 LEU A 72 15.052 16.603 2.728 1.00 1.00 H new ATOM 0 HD13 LEU A 72 13.300 16.783 2.474 1.00 1.00 H new ATOM 0 HD21 LEU A 72 13.022 14.406 0.501 1.00 1.00 H new ATOM 0 HD22 LEU A 72 12.291 16.004 0.215 1.00 1.00 H new ATOM 0 HD23 LEU A 72 13.370 15.288 -1.005 1.00 1.00 H new ATOM 658 N CYS A 73 13.407 20.430 1.048 1.00 1.00 N ATOM 659 CA CYS A 73 13.627 21.869 1.037 1.00 1.00 C ATOM 660 C CYS A 73 14.315 22.331 2.334 1.00 1.00 C ATOM 661 O CYS A 73 13.668 22.423 3.376 1.00 1.00 O ATOM 662 CB CYS A 73 12.288 22.584 0.876 1.00 1.00 C ATOM 663 SG CYS A 73 11.697 22.343 -0.819 1.00 1.00 S ATOM 0 H CYS A 73 13.133 20.046 1.953 1.00 1.00 H new ATOM 0 HA CYS A 73 14.280 22.116 0.200 1.00 1.00 H new ATOM 0 HB2 CYS A 73 11.562 22.191 1.588 1.00 1.00 H new ATOM 0 HB3 CYS A 73 12.400 23.647 1.089 1.00 1.00 H new ATOM 0 HG CYS A 73 12.477 21.505 -1.436 1.00 1.00 H new ATOM 669 N PRO A 74 15.606 22.620 2.308 1.00 1.00 N ATOM 670 CA PRO A 74 16.331 23.086 3.528 1.00 1.00 C ATOM 671 C PRO A 74 15.977 24.532 3.880 1.00 1.00 C ATOM 672 O PRO A 74 15.363 25.241 3.085 1.00 1.00 O ATOM 673 CB PRO A 74 17.815 22.939 3.154 1.00 1.00 C ATOM 674 CG PRO A 74 17.858 23.062 1.664 1.00 1.00 C ATOM 675 CD PRO A 74 16.515 22.538 1.141 1.00 1.00 C ATOM 0 HA PRO A 74 16.065 22.511 4.415 1.00 1.00 H new ATOM 0 HB2 PRO A 74 18.419 23.711 3.630 1.00 1.00 H new ATOM 0 HB3 PRO A 74 18.210 21.977 3.481 1.00 1.00 H new ATOM 0 HG2 PRO A 74 18.012 24.099 1.365 1.00 1.00 H new ATOM 0 HG3 PRO A 74 18.686 22.485 1.252 1.00 1.00 H new ATOM 0 HD2 PRO A 74 16.150 23.141 0.310 1.00 1.00 H new ATOM 0 HD3 PRO A 74 16.603 21.514 0.777 1.00 1.00 H new ATOM 683 N ALA A 75 16.363 24.959 5.079 1.00 1.00 N ATOM 684 CA ALA A 75 16.078 26.320 5.527 1.00 1.00 C ATOM 685 C ALA A 75 16.366 27.322 4.412 1.00 1.00 C ATOM 686 O ALA A 75 15.545 28.191 4.119 1.00 1.00 O ATOM 687 CB ALA A 75 16.949 26.653 6.738 1.00 1.00 C ATOM 0 H ALA A 75 16.871 24.387 5.754 1.00 1.00 H new ATOM 0 HA ALA A 75 15.024 26.383 5.798 1.00 1.00 H new ATOM 0 HB1 ALA A 75 16.736 27.669 7.071 1.00 1.00 H new ATOM 0 HB2 ALA A 75 16.733 25.953 7.545 1.00 1.00 H new ATOM 0 HB3 ALA A 75 18.001 26.575 6.462 1.00 1.00 H new ATOM 693 N GLN A 76 17.535 27.192 3.798 1.00 1.00 N ATOM 694 CA GLN A 76 17.924 28.091 2.718 1.00 1.00 C ATOM 695 C GLN A 76 17.044 27.866 1.494 1.00 1.00 C ATOM 696 O GLN A 76 16.950 28.724 0.618 1.00 1.00 O ATOM 697 CB GLN A 76 19.389 27.856 2.344 1.00 1.00 C ATOM 698 CG GLN A 76 20.235 27.756 3.615 1.00 1.00 C ATOM 699 CD GLN A 76 20.023 28.987 4.492 1.00 1.00 C ATOM 700 OE1 GLN A 76 18.955 29.156 5.080 1.00 1.00 O ATOM 701 NE2 GLN A 76 20.982 29.863 4.613 1.00 1.00 N ATOM 0 H GLN A 76 18.227 26.478 4.027 1.00 1.00 H new ATOM 0 HA GLN A 76 17.797 29.118 3.061 1.00 1.00 H new ATOM 0 HB2 GLN A 76 19.483 26.941 1.760 1.00 1.00 H new ATOM 0 HB3 GLN A 76 19.750 28.672 1.718 1.00 1.00 H new ATOM 0 HG2 GLN A 76 19.966 26.856 4.169 1.00 1.00 H new ATOM 0 HG3 GLN A 76 21.289 27.666 3.352 1.00 1.00 H new ATOM 0 HE21 GLN A 76 21.867 29.722 4.125 1.00 1.00 H new ATOM 0 HE22 GLN A 76 20.847 30.689 5.196 1.00 1.00 H new ATOM 710 N GLY A 77 16.403 26.704 1.440 1.00 1.00 N ATOM 711 CA GLY A 77 15.535 26.375 0.318 1.00 1.00 C ATOM 712 C GLY A 77 14.180 27.061 0.448 1.00 1.00 C ATOM 713 O GLY A 77 14.008 27.973 1.256 1.00 1.00 O ATOM 0 H GLY A 77 16.468 25.979 2.155 1.00 1.00 H new ATOM 0 HA2 GLY A 77 16.011 26.679 -0.614 1.00 1.00 H new ATOM 0 HA3 GLY A 77 15.395 25.295 0.268 1.00 1.00 H new ATOM 717 N PRO A 78 13.219 26.633 -0.330 1.00 1.00 N ATOM 718 CA PRO A 78 11.842 27.211 -0.306 1.00 1.00 C ATOM 719 C PRO A 78 11.248 27.242 1.105 1.00 1.00 C ATOM 720 O PRO A 78 10.618 28.222 1.501 1.00 1.00 O ATOM 721 CB PRO A 78 11.036 26.272 -1.223 1.00 1.00 C ATOM 722 CG PRO A 78 12.047 25.641 -2.130 1.00 1.00 C ATOM 723 CD PRO A 78 13.347 25.552 -1.326 1.00 1.00 C ATOM 0 HA PRO A 78 11.831 28.250 -0.636 1.00 1.00 H new ATOM 0 HB2 PRO A 78 10.503 25.518 -0.643 1.00 1.00 H new ATOM 0 HB3 PRO A 78 10.288 26.824 -1.792 1.00 1.00 H new ATOM 0 HG2 PRO A 78 11.719 24.652 -2.450 1.00 1.00 H new ATOM 0 HG3 PRO A 78 12.187 26.238 -3.031 1.00 1.00 H new ATOM 0 HD2 PRO A 78 13.456 24.578 -0.848 1.00 1.00 H new ATOM 0 HD3 PRO A 78 14.221 25.695 -1.961 1.00 1.00 H new ATOM 731 N GLY A 79 11.449 26.160 1.854 1.00 1.00 N ATOM 732 CA GLY A 79 10.924 26.074 3.212 1.00 1.00 C ATOM 733 C GLY A 79 11.075 24.661 3.769 1.00 1.00 C ATOM 734 O GLY A 79 11.863 23.871 3.269 1.00 1.00 O ATOM 0 H GLY A 79 11.967 25.338 1.546 1.00 1.00 H new ATOM 0 HA2 GLY A 79 11.450 26.780 3.854 1.00 1.00 H new ATOM 0 HA3 GLY A 79 9.872 26.360 3.218 1.00 1.00 H new ATOM 738 N VAL A 80 10.323 24.355 4.817 1.00 1.00 N ATOM 739 CA VAL A 80 10.386 23.044 5.441 1.00 1.00 C ATOM 740 C VAL A 80 9.251 22.899 6.440 1.00 1.00 C ATOM 741 O VAL A 80 8.934 23.834 7.174 1.00 1.00 O ATOM 742 CB VAL A 80 11.732 22.866 6.148 1.00 1.00 C ATOM 743 CG1 VAL A 80 11.909 23.970 7.193 1.00 1.00 C ATOM 744 CG2 VAL A 80 11.771 21.501 6.836 1.00 1.00 C ATOM 0 H VAL A 80 9.662 24.999 5.252 1.00 1.00 H new ATOM 0 HA VAL A 80 10.287 22.276 4.674 1.00 1.00 H new ATOM 0 HB VAL A 80 12.537 22.926 5.416 1.00 1.00 H new ATOM 0 HG11 VAL A 80 12.867 23.844 7.697 1.00 1.00 H new ATOM 0 HG12 VAL A 80 11.882 24.943 6.702 1.00 1.00 H new ATOM 0 HG13 VAL A 80 11.104 23.911 7.925 1.00 1.00 H new ATOM 0 HG21 VAL A 80 12.730 21.374 7.339 1.00 1.00 H new ATOM 0 HG22 VAL A 80 10.966 21.439 7.568 1.00 1.00 H new ATOM 0 HG23 VAL A 80 11.646 20.715 6.092 1.00 1.00 H new ATOM 754 N THR A 81 8.637 21.724 6.456 1.00 1.00 N ATOM 755 CA THR A 81 7.525 21.451 7.360 1.00 1.00 C ATOM 756 C THR A 81 7.976 20.574 8.523 1.00 1.00 C ATOM 757 O THR A 81 7.671 20.857 9.678 1.00 1.00 O ATOM 758 CB THR A 81 6.415 20.742 6.584 1.00 1.00 C ATOM 759 OG1 THR A 81 5.968 21.573 5.523 1.00 1.00 O ATOM 760 CG2 THR A 81 5.242 20.433 7.508 1.00 1.00 C ATOM 0 H THR A 81 8.890 20.942 5.852 1.00 1.00 H new ATOM 0 HA THR A 81 7.157 22.394 7.764 1.00 1.00 H new ATOM 0 HB THR A 81 6.809 19.809 6.180 1.00 1.00 H new ATOM 0 HG1 THR A 81 5.258 21.116 5.026 1.00 1.00 H new ATOM 0 HG21 THR A 81 4.458 19.928 6.944 1.00 1.00 H new ATOM 0 HG22 THR A 81 5.578 19.788 8.319 1.00 1.00 H new ATOM 0 HG23 THR A 81 4.850 21.362 7.922 1.00 1.00 H new ATOM 768 N HIS A 82 8.689 19.494 8.209 1.00 1.00 N ATOM 769 CA HIS A 82 9.164 18.558 9.240 1.00 1.00 C ATOM 770 C HIS A 82 10.672 18.370 9.156 1.00 1.00 C ATOM 771 O HIS A 82 11.274 18.543 8.095 1.00 1.00 O ATOM 772 CB HIS A 82 8.486 17.197 9.063 1.00 1.00 C ATOM 773 CG HIS A 82 6.994 17.365 9.091 1.00 1.00 C ATOM 774 ND1 HIS A 82 6.191 16.970 8.035 1.00 1.00 N ATOM 775 CD2 HIS A 82 6.144 17.876 10.039 1.00 1.00 C ATOM 776 CE1 HIS A 82 4.919 17.245 8.369 1.00 1.00 C ATOM 777 NE2 HIS A 82 4.833 17.799 9.580 1.00 1.00 N ATOM 0 H HIS A 82 8.952 19.242 7.256 1.00 1.00 H new ATOM 0 HA HIS A 82 8.913 18.979 10.214 1.00 1.00 H new ATOM 0 HB2 HIS A 82 8.793 16.748 8.119 1.00 1.00 H new ATOM 0 HB3 HIS A 82 8.800 16.518 9.856 1.00 1.00 H new ATOM 0 HD2 HIS A 82 6.446 18.277 10.995 1.00 1.00 H new ATOM 0 HE1 HIS A 82 4.069 17.042 7.734 1.00 1.00 H new ATOM 0 HE2 HIS A 82 3.988 18.101 10.065 1.00 1.00 H new ATOM 786 N ILE A 83 11.279 17.994 10.284 1.00 1.00 N ATOM 787 CA ILE A 83 12.719 17.765 10.320 1.00 1.00 C ATOM 788 C ILE A 83 13.023 16.468 11.056 1.00 1.00 C ATOM 789 O ILE A 83 12.795 16.354 12.259 1.00 1.00 O ATOM 790 CB ILE A 83 13.416 18.948 10.995 1.00 1.00 C ATOM 791 CG1 ILE A 83 12.959 20.277 10.327 1.00 1.00 C ATOM 792 CG2 ILE A 83 14.937 18.784 10.852 1.00 1.00 C ATOM 793 CD1 ILE A 83 11.721 20.846 11.043 1.00 1.00 C ATOM 0 H ILE A 83 10.800 17.844 11.172 1.00 1.00 H new ATOM 0 HA ILE A 83 13.095 17.677 9.301 1.00 1.00 H new ATOM 0 HB ILE A 83 13.152 18.976 12.052 1.00 1.00 H new ATOM 0 HG12 ILE A 83 13.770 21.004 10.359 1.00 1.00 H new ATOM 0 HG13 ILE A 83 12.729 20.102 9.276 1.00 1.00 H new ATOM 0 HG21 ILE A 83 15.440 19.624 11.331 1.00 1.00 H new ATOM 0 HG22 ILE A 83 15.249 17.855 11.328 1.00 1.00 H new ATOM 0 HG23 ILE A 83 15.202 18.757 9.795 1.00 1.00 H new ATOM 0 HD11 ILE A 83 11.417 21.775 10.561 1.00 1.00 H new ATOM 0 HD12 ILE A 83 10.905 20.125 10.988 1.00 1.00 H new ATOM 0 HD13 ILE A 83 11.963 21.041 12.088 1.00 1.00 H new ATOM 805 N VAL A 84 13.535 15.490 10.316 1.00 1.00 N ATOM 806 CA VAL A 84 13.868 14.191 10.887 1.00 1.00 C ATOM 807 C VAL A 84 15.325 14.158 11.310 1.00 1.00 C ATOM 808 O VAL A 84 16.206 14.607 10.579 1.00 1.00 O ATOM 809 CB VAL A 84 13.600 13.088 9.870 1.00 1.00 C ATOM 810 CG1 VAL A 84 13.948 11.731 10.490 1.00 1.00 C ATOM 811 CG2 VAL A 84 12.116 13.118 9.488 1.00 1.00 C ATOM 0 H VAL A 84 13.728 15.573 9.318 1.00 1.00 H new ATOM 0 HA VAL A 84 13.243 14.027 11.765 1.00 1.00 H new ATOM 0 HB VAL A 84 14.211 13.242 8.981 1.00 1.00 H new ATOM 0 HG11 VAL A 84 13.757 10.940 9.765 1.00 1.00 H new ATOM 0 HG12 VAL A 84 15.001 11.719 10.772 1.00 1.00 H new ATOM 0 HG13 VAL A 84 13.334 11.567 11.375 1.00 1.00 H new ATOM 0 HG21 VAL A 84 11.912 12.333 8.760 1.00 1.00 H new ATOM 0 HG22 VAL A 84 11.508 12.955 10.378 1.00 1.00 H new ATOM 0 HG23 VAL A 84 11.872 14.087 9.054 1.00 1.00 H new ATOM 821 N VAL A 85 15.565 13.630 12.506 1.00 1.00 N ATOM 822 CA VAL A 85 16.922 13.540 13.049 1.00 1.00 C ATOM 823 C VAL A 85 17.234 12.113 13.487 1.00 1.00 C ATOM 824 O VAL A 85 16.332 11.290 13.637 1.00 1.00 O ATOM 825 CB VAL A 85 17.062 14.494 14.244 1.00 1.00 C ATOM 826 CG1 VAL A 85 16.475 15.862 13.875 1.00 1.00 C ATOM 827 CG2 VAL A 85 16.320 13.928 15.475 1.00 1.00 C ATOM 0 H VAL A 85 14.840 13.257 13.120 1.00 1.00 H new ATOM 0 HA VAL A 85 17.630 13.824 12.270 1.00 1.00 H new ATOM 0 HB VAL A 85 18.119 14.600 14.490 1.00 1.00 H new ATOM 0 HG11 VAL A 85 16.573 16.541 14.722 1.00 1.00 H new ATOM 0 HG12 VAL A 85 17.013 16.270 13.019 1.00 1.00 H new ATOM 0 HG13 VAL A 85 15.421 15.749 13.621 1.00 1.00 H new ATOM 0 HG21 VAL A 85 16.429 14.616 16.313 1.00 1.00 H new ATOM 0 HG22 VAL A 85 15.263 13.808 15.239 1.00 1.00 H new ATOM 0 HG23 VAL A 85 16.744 12.960 15.742 1.00 1.00 H new ATOM 837 N ASP A 86 18.520 11.829 13.678 1.00 1.00 N ATOM 838 CA ASP A 86 18.954 10.499 14.090 1.00 1.00 C ATOM 839 C ASP A 86 18.536 10.202 15.526 1.00 1.00 C ATOM 840 O ASP A 86 19.088 9.312 16.165 1.00 1.00 O ATOM 841 CB ASP A 86 20.474 10.393 13.960 1.00 1.00 C ATOM 842 CG ASP A 86 21.175 11.072 15.139 1.00 1.00 C ATOM 843 OD1 ASP A 86 20.537 11.874 15.798 1.00 1.00 O ATOM 844 OD2 ASP A 86 22.334 10.769 15.368 1.00 1.00 O ATOM 0 H ASP A 86 19.277 12.501 13.554 1.00 1.00 H new ATOM 0 HA ASP A 86 18.476 9.766 13.440 1.00 1.00 H new ATOM 0 HB2 ASP A 86 20.766 9.344 13.914 1.00 1.00 H new ATOM 0 HB3 ASP A 86 20.796 10.855 13.026 1.00 1.00 H new ATOM 849 N GLU A 87 17.563 10.957 16.015 1.00 1.00 N ATOM 850 CA GLU A 87 17.062 10.786 17.373 1.00 1.00 C ATOM 851 C GLU A 87 18.103 11.241 18.387 1.00 1.00 C ATOM 852 O GLU A 87 17.812 12.048 19.270 1.00 1.00 O ATOM 853 CB GLU A 87 16.680 9.321 17.641 1.00 1.00 C ATOM 854 CG GLU A 87 15.948 8.736 16.423 1.00 1.00 C ATOM 855 CD GLU A 87 15.193 7.466 16.808 1.00 1.00 C ATOM 856 OE1 GLU A 87 14.961 7.267 17.990 1.00 1.00 O ATOM 857 OE2 GLU A 87 14.863 6.706 15.913 1.00 1.00 O ATOM 0 H GLU A 87 17.102 11.699 15.488 1.00 1.00 H new ATOM 0 HA GLU A 87 16.169 11.402 17.478 1.00 1.00 H new ATOM 0 HB2 GLU A 87 17.575 8.736 17.853 1.00 1.00 H new ATOM 0 HB3 GLU A 87 16.043 9.259 18.523 1.00 1.00 H new ATOM 0 HG2 GLU A 87 15.251 9.472 16.023 1.00 1.00 H new ATOM 0 HG3 GLU A 87 16.665 8.514 15.633 1.00 1.00 H new ATOM 864 N GLY A 88 19.316 10.727 18.250 1.00 1.00 N ATOM 865 CA GLY A 88 20.392 11.090 19.156 1.00 1.00 C ATOM 866 C GLY A 88 20.628 12.594 19.136 1.00 1.00 C ATOM 867 O GLY A 88 21.071 13.175 20.127 1.00 1.00 O ATOM 0 H GLY A 88 19.578 10.061 17.524 1.00 1.00 H new ATOM 0 HA2 GLY A 88 20.146 10.769 20.168 1.00 1.00 H new ATOM 0 HA3 GLY A 88 21.306 10.570 18.870 1.00 1.00 H new ATOM 871 N MET A 89 20.329 13.224 18.005 1.00 1.00 N ATOM 872 CA MET A 89 20.518 14.660 17.881 1.00 1.00 C ATOM 873 C MET A 89 19.466 15.416 18.683 1.00 1.00 C ATOM 874 O MET A 89 18.293 15.044 18.701 1.00 1.00 O ATOM 875 CB MET A 89 20.433 15.077 16.398 1.00 1.00 C ATOM 876 CG MET A 89 21.474 16.155 16.090 1.00 1.00 C ATOM 877 SD MET A 89 23.116 15.396 15.983 1.00 1.00 S ATOM 878 CE MET A 89 22.828 14.390 14.503 1.00 1.00 C ATOM 0 H MET A 89 19.959 12.767 17.171 1.00 1.00 H new ATOM 0 HA MET A 89 21.504 14.909 18.274 1.00 1.00 H new ATOM 0 HB2 MET A 89 20.598 14.209 15.759 1.00 1.00 H new ATOM 0 HB3 MET A 89 19.434 15.452 16.175 1.00 1.00 H new ATOM 0 HG2 MET A 89 21.230 16.654 15.152 1.00 1.00 H new ATOM 0 HG3 MET A 89 21.464 16.918 16.868 1.00 1.00 H new ATOM 0 HE1 MET A 89 23.747 14.328 13.921 1.00 1.00 H new ATOM 0 HE2 MET A 89 22.517 13.388 14.799 1.00 1.00 H new ATOM 0 HE3 MET A 89 22.046 14.849 13.898 1.00 1.00 H new ATOM 888 N ASP A 90 19.895 16.493 19.325 1.00 1.00 N ATOM 889 CA ASP A 90 18.988 17.318 20.108 1.00 1.00 C ATOM 890 C ASP A 90 18.361 18.380 19.215 1.00 1.00 C ATOM 891 O ASP A 90 18.947 18.783 18.209 1.00 1.00 O ATOM 892 CB ASP A 90 19.747 17.986 21.251 1.00 1.00 C ATOM 893 CG ASP A 90 20.144 16.940 22.283 1.00 1.00 C ATOM 894 OD1 ASP A 90 19.600 15.848 22.230 1.00 1.00 O ATOM 895 OD2 ASP A 90 20.986 17.242 23.112 1.00 1.00 O ATOM 0 H ASP A 90 20.863 16.815 19.319 1.00 1.00 H new ATOM 0 HA ASP A 90 18.202 16.688 20.525 1.00 1.00 H new ATOM 0 HB2 ASP A 90 20.635 18.487 20.867 1.00 1.00 H new ATOM 0 HB3 ASP A 90 19.125 18.751 21.715 1.00 1.00 H new ATOM 900 N TYR A 91 17.176 18.836 19.588 1.00 1.00 N ATOM 901 CA TYR A 91 16.491 19.854 18.813 1.00 1.00 C ATOM 902 C TYR A 91 17.385 21.090 18.664 1.00 1.00 C ATOM 903 O TYR A 91 17.496 21.657 17.588 1.00 1.00 O ATOM 904 CB TYR A 91 15.146 20.220 19.512 1.00 1.00 C ATOM 905 CG TYR A 91 15.081 21.711 19.790 1.00 1.00 C ATOM 906 CD1 TYR A 91 15.647 22.212 20.965 1.00 1.00 C ATOM 907 CD2 TYR A 91 14.502 22.586 18.864 1.00 1.00 C ATOM 908 CE1 TYR A 91 15.635 23.587 21.221 1.00 1.00 C ATOM 909 CE2 TYR A 91 14.484 23.964 19.120 1.00 1.00 C ATOM 910 CZ TYR A 91 15.056 24.464 20.297 1.00 1.00 C ATOM 911 OH TYR A 91 15.048 25.821 20.543 1.00 1.00 O ATOM 0 H TYR A 91 16.673 18.519 20.417 1.00 1.00 H new ATOM 0 HA TYR A 91 16.274 19.471 17.816 1.00 1.00 H new ATOM 0 HB2 TYR A 91 14.309 19.925 18.880 1.00 1.00 H new ATOM 0 HB3 TYR A 91 15.052 19.665 20.446 1.00 1.00 H new ATOM 0 HD1 TYR A 91 16.095 21.536 21.678 1.00 1.00 H new ATOM 0 HD2 TYR A 91 14.069 22.200 17.953 1.00 1.00 H new ATOM 0 HE1 TYR A 91 16.072 23.971 22.131 1.00 1.00 H new ATOM 0 HE2 TYR A 91 14.030 24.640 18.411 1.00 1.00 H new ATOM 0 HH TYR A 91 14.609 26.285 19.800 1.00 1.00 H new ATOM 921 N GLU A 92 17.990 21.516 19.757 1.00 1.00 N ATOM 922 CA GLU A 92 18.831 22.704 19.724 1.00 1.00 C ATOM 923 C GLU A 92 19.903 22.590 18.642 1.00 1.00 C ATOM 924 O GLU A 92 20.080 23.501 17.832 1.00 1.00 O ATOM 925 CB GLU A 92 19.485 22.894 21.094 1.00 1.00 C ATOM 926 CG GLU A 92 20.433 21.722 21.381 1.00 1.00 C ATOM 927 CD GLU A 92 20.746 21.650 22.872 1.00 1.00 C ATOM 928 OE1 GLU A 92 21.306 22.604 23.386 1.00 1.00 O ATOM 929 OE2 GLU A 92 20.423 20.640 23.474 1.00 1.00 O ATOM 0 H GLU A 92 17.918 21.066 20.669 1.00 1.00 H new ATOM 0 HA GLU A 92 18.209 23.568 19.488 1.00 1.00 H new ATOM 0 HB2 GLU A 92 20.036 23.834 21.118 1.00 1.00 H new ATOM 0 HB3 GLU A 92 18.720 22.953 21.868 1.00 1.00 H new ATOM 0 HG2 GLU A 92 19.978 20.788 21.052 1.00 1.00 H new ATOM 0 HG3 GLU A 92 21.356 21.844 20.814 1.00 1.00 H new ATOM 936 N ARG A 93 20.611 21.470 18.633 1.00 1.00 N ATOM 937 CA ARG A 93 21.659 21.238 17.652 1.00 1.00 C ATOM 938 C ARG A 93 21.071 21.015 16.264 1.00 1.00 C ATOM 939 O ARG A 93 21.641 21.438 15.261 1.00 1.00 O ATOM 940 CB ARG A 93 22.501 20.034 18.056 1.00 1.00 C ATOM 941 CG ARG A 93 23.868 20.158 17.391 1.00 1.00 C ATOM 942 CD ARG A 93 24.603 18.847 17.517 1.00 1.00 C ATOM 943 NE ARG A 93 24.838 18.532 18.926 1.00 1.00 N ATOM 944 CZ ARG A 93 24.051 17.691 19.606 1.00 1.00 C ATOM 945 NH1 ARG A 93 23.013 17.138 19.033 1.00 1.00 N ATOM 946 NH2 ARG A 93 24.313 17.428 20.855 1.00 1.00 N ATOM 0 H ARG A 93 20.478 20.706 19.296 1.00 1.00 H new ATOM 0 HA ARG A 93 22.292 22.125 17.619 1.00 1.00 H new ATOM 0 HB2 ARG A 93 22.609 19.993 19.140 1.00 1.00 H new ATOM 0 HB3 ARG A 93 22.012 19.109 17.749 1.00 1.00 H new ATOM 0 HG2 ARG A 93 23.752 20.424 16.340 1.00 1.00 H new ATOM 0 HG3 ARG A 93 24.442 20.957 17.860 1.00 1.00 H new ATOM 0 HD2 ARG A 93 24.023 18.051 17.051 1.00 1.00 H new ATOM 0 HD3 ARG A 93 25.553 18.902 16.986 1.00 1.00 H new ATOM 0 HE ARG A 93 25.627 18.967 19.405 1.00 1.00 H new ATOM 0 HH11 ARG A 93 22.797 17.347 18.058 1.00 1.00 H new ATOM 0 HH12 ARG A 93 22.420 16.498 19.561 1.00 1.00 H new ATOM 0 HH21 ARG A 93 25.116 17.863 21.310 1.00 1.00 H new ATOM 0 HH22 ARG A 93 23.716 16.787 21.377 1.00 1.00 H new ATOM 960 N ALA A 94 19.946 20.317 16.214 1.00 1.00 N ATOM 961 CA ALA A 94 19.305 20.010 14.943 1.00 1.00 C ATOM 962 C ALA A 94 19.218 21.237 14.037 1.00 1.00 C ATOM 963 O ALA A 94 19.497 21.152 12.857 1.00 1.00 O ATOM 964 CB ALA A 94 17.895 19.469 15.186 1.00 1.00 C ATOM 0 H ALA A 94 19.460 19.954 17.034 1.00 1.00 H new ATOM 0 HA ALA A 94 19.918 19.259 14.444 1.00 1.00 H new ATOM 0 HB1 ALA A 94 17.423 19.242 14.230 1.00 1.00 H new ATOM 0 HB2 ALA A 94 17.952 18.562 15.787 1.00 1.00 H new ATOM 0 HB3 ALA A 94 17.304 20.217 15.714 1.00 1.00 H new ATOM 970 N LEU A 95 18.853 22.379 14.583 1.00 1.00 N ATOM 971 CA LEU A 95 18.743 23.593 13.777 1.00 1.00 C ATOM 972 C LEU A 95 20.075 23.918 13.102 1.00 1.00 C ATOM 973 O LEU A 95 20.107 24.340 11.949 1.00 1.00 O ATOM 974 CB LEU A 95 18.306 24.761 14.699 1.00 1.00 C ATOM 975 CG LEU A 95 16.773 24.808 14.890 1.00 1.00 C ATOM 976 CD1 LEU A 95 16.194 23.410 15.102 1.00 1.00 C ATOM 977 CD2 LEU A 95 16.445 25.679 16.104 1.00 1.00 C ATOM 0 H LEU A 95 18.628 22.499 15.571 1.00 1.00 H new ATOM 0 HA LEU A 95 18.002 23.443 12.992 1.00 1.00 H new ATOM 0 HB2 LEU A 95 18.789 24.656 15.670 1.00 1.00 H new ATOM 0 HB3 LEU A 95 18.647 25.705 14.274 1.00 1.00 H new ATOM 0 HG LEU A 95 16.328 25.228 13.988 1.00 1.00 H new ATOM 0 HD11 LEU A 95 15.114 23.479 15.233 1.00 1.00 H new ATOM 0 HD12 LEU A 95 16.415 22.789 14.234 1.00 1.00 H new ATOM 0 HD13 LEU A 95 16.639 22.963 15.991 1.00 1.00 H new ATOM 0 HD21 LEU A 95 15.365 25.716 16.244 1.00 1.00 H new ATOM 0 HD22 LEU A 95 16.912 25.255 16.993 1.00 1.00 H new ATOM 0 HD23 LEU A 95 16.825 26.688 15.941 1.00 1.00 H new ATOM 989 N ARG A 96 21.164 23.732 13.814 1.00 1.00 N ATOM 990 CA ARG A 96 22.474 24.013 13.254 1.00 1.00 C ATOM 991 C ARG A 96 22.828 23.007 12.163 1.00 1.00 C ATOM 992 O ARG A 96 23.581 23.319 11.247 1.00 1.00 O ATOM 993 CB ARG A 96 23.525 23.969 14.362 1.00 1.00 C ATOM 994 CG ARG A 96 23.104 24.878 15.527 1.00 1.00 C ATOM 995 CD ARG A 96 23.244 26.356 15.147 1.00 1.00 C ATOM 996 NE ARG A 96 22.951 27.190 16.307 1.00 1.00 N ATOM 997 CZ ARG A 96 21.713 27.602 16.573 1.00 1.00 C ATOM 998 NH1 ARG A 96 20.721 27.237 15.806 1.00 1.00 N ATOM 999 NH2 ARG A 96 21.491 28.363 17.607 1.00 1.00 N ATOM 0 H ARG A 96 21.173 23.390 14.775 1.00 1.00 H new ATOM 0 HA ARG A 96 22.454 25.007 12.808 1.00 1.00 H new ATOM 0 HB2 ARG A 96 23.649 22.945 14.716 1.00 1.00 H new ATOM 0 HB3 ARG A 96 24.490 24.290 13.971 1.00 1.00 H new ATOM 0 HG2 ARG A 96 22.071 24.666 15.804 1.00 1.00 H new ATOM 0 HG3 ARG A 96 23.719 24.664 16.401 1.00 1.00 H new ATOM 0 HD2 ARG A 96 24.254 26.556 14.789 1.00 1.00 H new ATOM 0 HD3 ARG A 96 22.563 26.598 14.331 1.00 1.00 H new ATOM 0 HE ARG A 96 23.712 27.464 16.929 1.00 1.00 H new ATOM 0 HH11 ARG A 96 20.894 26.635 15.001 1.00 1.00 H new ATOM 0 HH12 ARG A 96 19.774 27.554 16.012 1.00 1.00 H new ATOM 0 HH21 ARG A 96 22.265 28.642 18.211 1.00 1.00 H new ATOM 0 HH22 ARG A 96 20.544 28.680 17.813 1.00 1.00 H new ATOM 1013 N LEU A 97 22.308 21.794 12.276 1.00 1.00 N ATOM 1014 CA LEU A 97 22.603 20.767 11.285 1.00 1.00 C ATOM 1015 C LEU A 97 22.035 21.134 9.918 1.00 1.00 C ATOM 1016 O LEU A 97 22.685 20.922 8.895 1.00 1.00 O ATOM 1017 CB LEU A 97 22.045 19.404 11.748 1.00 1.00 C ATOM 1018 CG LEU A 97 23.061 18.683 12.649 1.00 1.00 C ATOM 1019 CD1 LEU A 97 23.155 19.382 14.008 1.00 1.00 C ATOM 1020 CD2 LEU A 97 22.624 17.232 12.855 1.00 1.00 C ATOM 0 H LEU A 97 21.689 21.498 13.031 1.00 1.00 H new ATOM 0 HA LEU A 97 23.686 20.695 11.188 1.00 1.00 H new ATOM 0 HB2 LEU A 97 21.111 19.552 12.290 1.00 1.00 H new ATOM 0 HB3 LEU A 97 21.816 18.785 10.881 1.00 1.00 H new ATOM 0 HG LEU A 97 24.038 18.709 12.167 1.00 1.00 H new ATOM 0 HD11 LEU A 97 23.878 18.861 14.636 1.00 1.00 H new ATOM 0 HD12 LEU A 97 23.476 20.414 13.865 1.00 1.00 H new ATOM 0 HD13 LEU A 97 22.178 19.369 14.492 1.00 1.00 H new ATOM 0 HD21 LEU A 97 23.345 16.722 13.494 1.00 1.00 H new ATOM 0 HD22 LEU A 97 21.642 17.211 13.328 1.00 1.00 H new ATOM 0 HD23 LEU A 97 22.573 16.727 11.890 1.00 1.00 H new ATOM 1032 N LEU A 98 20.819 21.678 9.905 1.00 1.00 N ATOM 1033 CA LEU A 98 20.173 22.062 8.647 1.00 1.00 C ATOM 1034 C LEU A 98 20.102 23.573 8.521 1.00 1.00 C ATOM 1035 O LEU A 98 19.378 24.107 7.678 1.00 1.00 O ATOM 1036 CB LEU A 98 18.771 21.453 8.568 1.00 1.00 C ATOM 1037 CG LEU A 98 17.962 21.718 9.862 1.00 1.00 C ATOM 1038 CD1 LEU A 98 16.485 21.955 9.519 1.00 1.00 C ATOM 1039 CD2 LEU A 98 18.043 20.481 10.761 1.00 1.00 C ATOM 0 H LEU A 98 20.265 21.862 10.741 1.00 1.00 H new ATOM 0 HA LEU A 98 20.770 21.678 7.819 1.00 1.00 H new ATOM 0 HB2 LEU A 98 18.239 21.871 7.713 1.00 1.00 H new ATOM 0 HB3 LEU A 98 18.849 20.379 8.400 1.00 1.00 H new ATOM 0 HG LEU A 98 18.373 22.594 10.363 1.00 1.00 H new ATOM 0 HD11 LEU A 98 15.924 22.140 10.435 1.00 1.00 H new ATOM 0 HD12 LEU A 98 16.399 22.819 8.859 1.00 1.00 H new ATOM 0 HD13 LEU A 98 16.082 21.075 9.019 1.00 1.00 H new ATOM 0 HD21 LEU A 98 17.476 20.658 11.675 1.00 1.00 H new ATOM 0 HD22 LEU A 98 17.626 19.622 10.236 1.00 1.00 H new ATOM 0 HD23 LEU A 98 19.085 20.282 11.013 1.00 1.00 H new ATOM 1051 N ARG A 99 20.881 24.256 9.345 1.00 1.00 N ATOM 1052 CA ARG A 99 20.917 25.705 9.313 1.00 1.00 C ATOM 1053 C ARG A 99 19.511 26.274 9.366 1.00 1.00 C ATOM 1054 O ARG A 99 19.108 27.019 8.474 1.00 1.00 O ATOM 1055 CB ARG A 99 21.591 26.183 8.024 1.00 1.00 C ATOM 1056 CG ARG A 99 22.869 25.382 7.762 1.00 1.00 C ATOM 1057 CD ARG A 99 23.867 25.611 8.892 1.00 1.00 C ATOM 1058 NE ARG A 99 25.170 25.082 8.516 1.00 1.00 N ATOM 1059 CZ ARG A 99 25.453 23.788 8.630 1.00 1.00 C ATOM 1060 NH1 ARG A 99 24.549 22.952 9.067 1.00 1.00 N ATOM 1061 NH2 ARG A 99 26.635 23.353 8.297 1.00 1.00 N ATOM 0 H ARG A 99 21.494 23.830 10.041 1.00 1.00 H new ATOM 0 HA ARG A 99 21.481 26.050 10.180 1.00 1.00 H new ATOM 0 HB2 ARG A 99 20.905 26.071 7.184 1.00 1.00 H new ATOM 0 HB3 ARG A 99 21.829 27.244 8.102 1.00 1.00 H new ATOM 0 HG2 ARG A 99 22.633 24.321 7.683 1.00 1.00 H new ATOM 0 HG3 ARG A 99 23.308 25.683 6.811 1.00 1.00 H new ATOM 0 HD2 ARG A 99 23.946 26.676 9.109 1.00 1.00 H new ATOM 0 HD3 ARG A 99 23.516 25.125 9.803 1.00 1.00 H new ATOM 0 HE ARG A 99 25.882 25.718 8.157 1.00 1.00 H new ATOM 0 HH11 ARG A 99 23.622 23.291 9.322 1.00 1.00 H new ATOM 0 HH12 ARG A 99 24.771 21.960 9.153 1.00 1.00 H new ATOM 0 HH21 ARG A 99 27.339 24.004 7.950 1.00 1.00 H new ATOM 0 HH22 ARG A 99 26.856 22.361 8.383 1.00 1.00 H new ATOM 1075 N LEU A 100 18.760 25.928 10.411 1.00 1.00 N ATOM 1076 CA LEU A 100 17.391 26.425 10.555 1.00 1.00 C ATOM 1077 C LEU A 100 17.317 27.478 11.669 1.00 1.00 C ATOM 1078 O LEU A 100 17.546 27.159 12.835 1.00 1.00 O ATOM 1079 CB LEU A 100 16.451 25.275 10.888 1.00 1.00 C ATOM 1080 CG LEU A 100 14.986 25.695 10.653 1.00 1.00 C ATOM 1081 CD1 LEU A 100 14.650 25.691 9.146 1.00 1.00 C ATOM 1082 CD2 LEU A 100 14.047 24.726 11.408 1.00 1.00 C ATOM 0 H LEU A 100 19.071 25.313 11.163 1.00 1.00 H new ATOM 0 HA LEU A 100 17.090 26.881 9.612 1.00 1.00 H new ATOM 0 HB2 LEU A 100 16.692 24.409 10.271 1.00 1.00 H new ATOM 0 HB3 LEU A 100 16.588 24.974 11.927 1.00 1.00 H new ATOM 0 HG LEU A 100 14.845 26.708 11.030 1.00 1.00 H new ATOM 0 HD11 LEU A 100 13.612 25.990 9.004 1.00 1.00 H new ATOM 0 HD12 LEU A 100 15.304 26.391 8.626 1.00 1.00 H new ATOM 0 HD13 LEU A 100 14.797 24.689 8.743 1.00 1.00 H new ATOM 0 HD21 LEU A 100 13.011 25.021 11.243 1.00 1.00 H new ATOM 0 HD22 LEU A 100 14.198 23.711 11.039 1.00 1.00 H new ATOM 0 HD23 LEU A 100 14.269 24.761 12.475 1.00 1.00 H new ATOM 1094 N PRO A 101 17.008 28.717 11.359 1.00 1.00 N ATOM 1095 CA PRO A 101 16.922 29.790 12.394 1.00 1.00 C ATOM 1096 C PRO A 101 16.076 29.374 13.593 1.00 1.00 C ATOM 1097 O PRO A 101 16.487 29.536 14.741 1.00 1.00 O ATOM 1098 CB PRO A 101 16.246 30.953 11.653 1.00 1.00 C ATOM 1099 CG PRO A 101 16.557 30.742 10.209 1.00 1.00 C ATOM 1100 CD PRO A 101 16.718 29.236 10.010 1.00 1.00 C ATOM 0 HA PRO A 101 17.903 30.035 12.802 1.00 1.00 H new ATOM 0 HB2 PRO A 101 15.170 30.956 11.826 1.00 1.00 H new ATOM 0 HB3 PRO A 101 16.627 31.913 12.000 1.00 1.00 H new ATOM 0 HG2 PRO A 101 15.757 31.132 9.580 1.00 1.00 H new ATOM 0 HG3 PRO A 101 17.469 31.269 9.928 1.00 1.00 H new ATOM 0 HD2 PRO A 101 15.812 28.790 9.599 1.00 1.00 H new ATOM 0 HD3 PRO A 101 17.527 29.011 9.315 1.00 1.00 H new ATOM 1108 N GLN A 102 14.898 28.831 13.308 1.00 1.00 N ATOM 1109 CA GLN A 102 13.993 28.391 14.369 1.00 1.00 C ATOM 1110 C GLN A 102 12.761 27.718 13.779 1.00 1.00 C ATOM 1111 O GLN A 102 12.210 28.185 12.784 1.00 1.00 O ATOM 1112 CB GLN A 102 13.545 29.583 15.216 1.00 1.00 C ATOM 1113 CG GLN A 102 12.800 29.070 16.446 1.00 1.00 C ATOM 1114 CD GLN A 102 12.400 30.247 17.333 1.00 1.00 C ATOM 1115 OE1 GLN A 102 12.953 31.338 17.198 1.00 1.00 O ATOM 1116 NE2 GLN A 102 11.468 30.095 18.234 1.00 1.00 N ATOM 0 H GLN A 102 14.547 28.685 12.361 1.00 1.00 H new ATOM 0 HA GLN A 102 14.532 27.678 14.993 1.00 1.00 H new ATOM 0 HB2 GLN A 102 14.409 30.175 15.519 1.00 1.00 H new ATOM 0 HB3 GLN A 102 12.899 30.238 14.631 1.00 1.00 H new ATOM 0 HG2 GLN A 102 11.913 28.514 16.141 1.00 1.00 H new ATOM 0 HG3 GLN A 102 13.432 28.380 17.004 1.00 1.00 H new ATOM 0 HE21 GLN A 102 11.010 29.191 18.346 1.00 1.00 H new ATOM 0 HE22 GLN A 102 11.198 30.880 18.826 1.00 1.00 H new ATOM 1125 N LEU A 103 12.350 26.608 14.391 1.00 1.00 N ATOM 1126 CA LEU A 103 11.196 25.852 13.907 1.00 1.00 C ATOM 1127 C LEU A 103 10.097 26.789 13.379 1.00 1.00 C ATOM 1128 O LEU A 103 9.352 27.377 14.164 1.00 1.00 O ATOM 1129 CB LEU A 103 10.627 24.973 15.029 1.00 1.00 C ATOM 1130 CG LEU A 103 11.532 23.752 15.233 1.00 1.00 C ATOM 1131 CD1 LEU A 103 11.066 22.973 16.466 1.00 1.00 C ATOM 1132 CD2 LEU A 103 11.510 22.847 13.982 1.00 1.00 C ATOM 0 H LEU A 103 12.797 26.214 15.219 1.00 1.00 H new ATOM 0 HA LEU A 103 11.534 25.220 13.086 1.00 1.00 H new ATOM 0 HB2 LEU A 103 10.557 25.546 15.954 1.00 1.00 H new ATOM 0 HB3 LEU A 103 9.617 24.652 14.776 1.00 1.00 H new ATOM 0 HG LEU A 103 12.557 24.089 15.388 1.00 1.00 H new ATOM 0 HD11 LEU A 103 11.709 22.105 16.612 1.00 1.00 H new ATOM 0 HD12 LEU A 103 11.120 23.616 17.344 1.00 1.00 H new ATOM 0 HD13 LEU A 103 10.037 22.643 16.320 1.00 1.00 H new ATOM 0 HD21 LEU A 103 12.158 21.986 14.145 1.00 1.00 H new ATOM 0 HD22 LEU A 103 10.491 22.505 13.798 1.00 1.00 H new ATOM 0 HD23 LEU A 103 11.865 23.410 13.119 1.00 1.00 H new ATOM 1144 N PRO A 104 9.989 26.958 12.072 1.00 1.00 N ATOM 1145 CA PRO A 104 8.969 27.865 11.472 1.00 1.00 C ATOM 1146 C PRO A 104 7.597 27.718 12.143 1.00 1.00 C ATOM 1147 O PRO A 104 7.301 26.685 12.744 1.00 1.00 O ATOM 1148 CB PRO A 104 8.927 27.430 9.999 1.00 1.00 C ATOM 1149 CG PRO A 104 10.293 26.893 9.711 1.00 1.00 C ATOM 1150 CD PRO A 104 10.811 26.307 11.026 1.00 1.00 C ATOM 0 HA PRO A 104 9.222 28.918 11.599 1.00 1.00 H new ATOM 0 HB2 PRO A 104 8.162 26.671 9.834 1.00 1.00 H new ATOM 0 HB3 PRO A 104 8.688 28.270 9.347 1.00 1.00 H new ATOM 0 HG2 PRO A 104 10.255 26.130 8.934 1.00 1.00 H new ATOM 0 HG3 PRO A 104 10.953 27.682 9.351 1.00 1.00 H new ATOM 0 HD2 PRO A 104 10.697 25.223 11.049 1.00 1.00 H new ATOM 0 HD3 PRO A 104 11.871 26.520 11.165 1.00 1.00 H new ATOM 1158 N PRO A 105 6.757 28.725 12.046 1.00 1.00 N ATOM 1159 CA PRO A 105 5.387 28.691 12.649 1.00 1.00 C ATOM 1160 C PRO A 105 4.525 27.578 12.046 1.00 1.00 C ATOM 1161 O PRO A 105 3.757 27.813 11.114 1.00 1.00 O ATOM 1162 CB PRO A 105 4.810 30.088 12.326 1.00 1.00 C ATOM 1163 CG PRO A 105 5.623 30.591 11.176 1.00 1.00 C ATOM 1164 CD PRO A 105 7.015 30.004 11.366 1.00 1.00 C ATOM 0 HA PRO A 105 5.409 28.479 13.718 1.00 1.00 H new ATOM 0 HB2 PRO A 105 3.754 30.027 12.065 1.00 1.00 H new ATOM 0 HB3 PRO A 105 4.888 30.755 13.185 1.00 1.00 H new ATOM 0 HG2 PRO A 105 5.192 30.277 10.225 1.00 1.00 H new ATOM 0 HG3 PRO A 105 5.656 31.680 11.167 1.00 1.00 H new ATOM 0 HD2 PRO A 105 7.522 29.857 10.413 1.00 1.00 H new ATOM 0 HD3 PRO A 105 7.648 30.658 11.966 1.00 1.00 H new ATOM 1172 N GLY A 106 4.652 26.367 12.593 1.00 1.00 N ATOM 1173 CA GLY A 106 3.877 25.220 12.110 1.00 1.00 C ATOM 1174 C GLY A 106 4.745 23.969 12.017 1.00 1.00 C ATOM 1175 O GLY A 106 4.283 22.860 12.283 1.00 1.00 O ATOM 0 H GLY A 106 5.281 26.155 13.367 1.00 1.00 H new ATOM 0 HA2 GLY A 106 3.039 25.035 12.782 1.00 1.00 H new ATOM 0 HA3 GLY A 106 3.457 25.448 11.131 1.00 1.00 H new ATOM 1179 N ALA A 107 6.002 24.154 11.636 1.00 1.00 N ATOM 1180 CA ALA A 107 6.925 23.031 11.510 1.00 1.00 C ATOM 1181 C ALA A 107 7.434 22.593 12.875 1.00 1.00 C ATOM 1182 O ALA A 107 7.496 23.394 13.807 1.00 1.00 O ATOM 1183 CB ALA A 107 8.118 23.431 10.648 1.00 1.00 C ATOM 0 H ALA A 107 6.405 25.063 11.410 1.00 1.00 H new ATOM 0 HA ALA A 107 6.387 22.205 11.045 1.00 1.00 H new ATOM 0 HB1 ALA A 107 8.802 22.587 10.559 1.00 1.00 H new ATOM 0 HB2 ALA A 107 7.770 23.722 9.657 1.00 1.00 H new ATOM 0 HB3 ALA A 107 8.636 24.271 11.111 1.00 1.00 H new ATOM 1189 N GLN A 108 7.802 21.320 12.988 1.00 1.00 N ATOM 1190 CA GLN A 108 8.312 20.785 14.247 1.00 1.00 C ATOM 1191 C GLN A 108 9.398 19.760 13.966 1.00 1.00 C ATOM 1192 O GLN A 108 9.431 19.156 12.893 1.00 1.00 O ATOM 1193 CB GLN A 108 7.180 20.111 15.023 1.00 1.00 C ATOM 1194 CG GLN A 108 5.936 20.985 14.949 1.00 1.00 C ATOM 1195 CD GLN A 108 4.824 20.381 15.799 1.00 1.00 C ATOM 1196 OE1 GLN A 108 5.055 20.011 16.951 1.00 1.00 O ATOM 1197 NE2 GLN A 108 3.625 20.260 15.300 1.00 1.00 N ATOM 0 H GLN A 108 7.757 20.642 12.227 1.00 1.00 H new ATOM 0 HA GLN A 108 8.722 21.604 14.837 1.00 1.00 H new ATOM 0 HB2 GLN A 108 6.973 19.126 14.606 1.00 1.00 H new ATOM 0 HB3 GLN A 108 7.473 19.962 16.062 1.00 1.00 H new ATOM 0 HG2 GLN A 108 6.167 21.991 15.299 1.00 1.00 H new ATOM 0 HG3 GLN A 108 5.606 21.075 13.914 1.00 1.00 H new ATOM 0 HE21 GLN A 108 3.436 20.567 14.346 1.00 1.00 H new ATOM 0 HE22 GLN A 108 2.876 19.858 15.864 1.00 1.00 H new ATOM 1206 N LEU A 109 10.281 19.562 14.933 1.00 1.00 N ATOM 1207 CA LEU A 109 11.357 18.596 14.778 1.00 1.00 C ATOM 1208 C LEU A 109 10.905 17.224 15.228 1.00 1.00 C ATOM 1209 O LEU A 109 10.611 17.020 16.399 1.00 1.00 O ATOM 1210 CB LEU A 109 12.572 19.020 15.627 1.00 1.00 C ATOM 1211 CG LEU A 109 13.636 19.739 14.770 1.00 1.00 C ATOM 1212 CD1 LEU A 109 14.385 20.763 15.625 1.00 1.00 C ATOM 1213 CD2 LEU A 109 14.627 18.700 14.231 1.00 1.00 C ATOM 0 H LEU A 109 10.274 20.053 15.827 1.00 1.00 H new ATOM 0 HA LEU A 109 11.634 18.560 13.724 1.00 1.00 H new ATOM 0 HB2 LEU A 109 12.244 19.679 16.430 1.00 1.00 H new ATOM 0 HB3 LEU A 109 13.014 18.141 16.096 1.00 1.00 H new ATOM 0 HG LEU A 109 13.151 20.254 13.941 1.00 1.00 H new ATOM 0 HD11 LEU A 109 15.135 21.267 15.015 1.00 1.00 H new ATOM 0 HD12 LEU A 109 13.680 21.497 16.014 1.00 1.00 H new ATOM 0 HD13 LEU A 109 14.875 20.255 16.456 1.00 1.00 H new ATOM 0 HD21 LEU A 109 15.383 19.199 13.624 1.00 1.00 H new ATOM 0 HD22 LEU A 109 15.110 18.191 15.065 1.00 1.00 H new ATOM 0 HD23 LEU A 109 14.094 17.971 13.620 1.00 1.00 H new ATOM 1225 N VAL A 110 10.838 16.301 14.281 1.00 1.00 N ATOM 1226 CA VAL A 110 10.408 14.940 14.553 1.00 1.00 C ATOM 1227 C VAL A 110 11.593 13.996 14.413 1.00 1.00 C ATOM 1228 O VAL A 110 12.668 14.393 13.967 1.00 1.00 O ATOM 1229 CB VAL A 110 9.302 14.531 13.561 1.00 1.00 C ATOM 1230 CG1 VAL A 110 8.308 15.680 13.369 1.00 1.00 C ATOM 1231 CG2 VAL A 110 9.911 14.168 12.197 1.00 1.00 C ATOM 0 H VAL A 110 11.080 16.474 13.305 1.00 1.00 H new ATOM 0 HA VAL A 110 10.015 14.884 15.568 1.00 1.00 H new ATOM 0 HB VAL A 110 8.785 13.664 13.971 1.00 1.00 H new ATOM 0 HG11 VAL A 110 7.533 15.377 12.666 1.00 1.00 H new ATOM 0 HG12 VAL A 110 7.852 15.930 14.327 1.00 1.00 H new ATOM 0 HG13 VAL A 110 8.831 16.552 12.978 1.00 1.00 H new ATOM 0 HG21 VAL A 110 9.116 13.882 11.508 1.00 1.00 H new ATOM 0 HG22 VAL A 110 10.445 15.029 11.796 1.00 1.00 H new ATOM 0 HG23 VAL A 110 10.604 13.335 12.318 1.00 1.00 H new ATOM 1241 N LYS A 111 11.389 12.748 14.806 1.00 1.00 N ATOM 1242 CA LYS A 111 12.441 11.737 14.727 1.00 1.00 C ATOM 1243 C LYS A 111 12.189 10.783 13.568 1.00 1.00 C ATOM 1244 O LYS A 111 11.223 10.929 12.819 1.00 1.00 O ATOM 1245 CB LYS A 111 12.501 10.953 16.043 1.00 1.00 C ATOM 1246 CG LYS A 111 13.205 11.799 17.115 1.00 1.00 C ATOM 1247 CD LYS A 111 13.401 10.979 18.405 1.00 1.00 C ATOM 1248 CE LYS A 111 12.142 11.052 19.274 1.00 1.00 C ATOM 1249 NZ LYS A 111 11.957 12.453 19.742 1.00 1.00 N ATOM 0 H LYS A 111 10.505 12.407 15.184 1.00 1.00 H new ATOM 0 HA LYS A 111 13.393 12.239 14.557 1.00 1.00 H new ATOM 0 HB2 LYS A 111 11.494 10.696 16.371 1.00 1.00 H new ATOM 0 HB3 LYS A 111 13.037 10.015 15.895 1.00 1.00 H new ATOM 0 HG2 LYS A 111 14.171 12.139 16.742 1.00 1.00 H new ATOM 0 HG3 LYS A 111 12.615 12.690 17.329 1.00 1.00 H new ATOM 0 HD2 LYS A 111 13.620 9.941 18.155 1.00 1.00 H new ATOM 0 HD3 LYS A 111 14.258 11.360 18.960 1.00 1.00 H new ATOM 0 HE2 LYS A 111 11.272 10.727 18.704 1.00 1.00 H new ATOM 0 HE3 LYS A 111 12.233 10.379 20.127 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 11.350 12.460 20.587 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 12.882 12.866 19.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 11.509 13.014 18.990 1.00 1.00 H new ATOM 1263 N SER A 112 13.076 9.805 13.430 1.00 1.00 N ATOM 1264 CA SER A 112 12.963 8.820 12.366 1.00 1.00 C ATOM 1265 C SER A 112 11.648 8.062 12.492 1.00 1.00 C ATOM 1266 O SER A 112 11.001 7.758 11.495 1.00 1.00 O ATOM 1267 CB SER A 112 14.131 7.838 12.427 1.00 1.00 C ATOM 1268 OG SER A 112 13.841 6.712 11.611 1.00 1.00 O ATOM 0 H SER A 112 13.881 9.674 14.043 1.00 1.00 H new ATOM 0 HA SER A 112 12.986 9.340 11.408 1.00 1.00 H new ATOM 0 HB2 SER A 112 15.046 8.322 12.086 1.00 1.00 H new ATOM 0 HB3 SER A 112 14.302 7.522 13.456 1.00 1.00 H new ATOM 0 HG SER A 112 14.590 6.081 11.647 1.00 1.00 H new ATOM 1274 N ALA A 113 11.261 7.754 13.725 1.00 1.00 N ATOM 1275 CA ALA A 113 10.021 7.026 13.959 1.00 1.00 C ATOM 1276 C ALA A 113 8.864 7.694 13.229 1.00 1.00 C ATOM 1277 O ALA A 113 8.108 7.040 12.517 1.00 1.00 O ATOM 1278 CB ALA A 113 9.714 6.986 15.455 1.00 1.00 C ATOM 0 H ALA A 113 11.782 7.994 14.569 1.00 1.00 H new ATOM 0 HA ALA A 113 10.143 6.011 13.582 1.00 1.00 H new ATOM 0 HB1 ALA A 113 8.785 6.440 15.621 1.00 1.00 H new ATOM 0 HB2 ALA A 113 10.528 6.486 15.980 1.00 1.00 H new ATOM 0 HB3 ALA A 113 9.609 8.003 15.832 1.00 1.00 H new ATOM 1284 N TRP A 114 8.728 9.000 13.399 1.00 1.00 N ATOM 1285 CA TRP A 114 7.650 9.720 12.738 1.00 1.00 C ATOM 1286 C TRP A 114 7.714 9.496 11.229 1.00 1.00 C ATOM 1287 O TRP A 114 6.697 9.222 10.595 1.00 1.00 O ATOM 1288 CB TRP A 114 7.762 11.216 13.044 1.00 1.00 C ATOM 1289 CG TRP A 114 6.731 11.983 12.269 1.00 1.00 C ATOM 1290 CD1 TRP A 114 5.489 12.314 12.716 1.00 1.00 C ATOM 1291 CD2 TRP A 114 6.829 12.515 10.914 1.00 1.00 C ATOM 1292 NE1 TRP A 114 4.841 13.033 11.733 1.00 1.00 N ATOM 1293 CE2 TRP A 114 5.617 13.173 10.601 1.00 1.00 C ATOM 1294 CE3 TRP A 114 7.843 12.495 9.937 1.00 1.00 C ATOM 1295 CZ2 TRP A 114 5.417 13.789 9.367 1.00 1.00 C ATOM 1296 CZ3 TRP A 114 7.644 13.114 8.693 1.00 1.00 C ATOM 1297 CH2 TRP A 114 6.433 13.758 8.409 1.00 1.00 C ATOM 0 H TRP A 114 9.339 9.575 13.979 1.00 1.00 H new ATOM 0 HA TRP A 114 6.696 9.346 13.110 1.00 1.00 H new ATOM 0 HB2 TRP A 114 7.626 11.387 14.112 1.00 1.00 H new ATOM 0 HB3 TRP A 114 8.760 11.573 12.788 1.00 1.00 H new ATOM 0 HD1 TRP A 114 5.078 12.056 13.681 1.00 1.00 H new ATOM 0 HE1 TRP A 114 3.901 13.415 11.831 1.00 1.00 H new ATOM 0 HE3 TRP A 114 8.780 12.000 10.146 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 4.483 14.287 9.153 1.00 1.00 H new ATOM 0 HZ3 TRP A 114 8.429 13.094 7.951 1.00 1.00 H new ATOM 0 HH2 TRP A 114 6.285 14.231 7.449 1.00 1.00 H new ATOM 1308 N LEU A 115 8.910 9.620 10.659 1.00 1.00 N ATOM 1309 CA LEU A 115 9.079 9.433 9.221 1.00 1.00 C ATOM 1310 C LEU A 115 8.828 7.970 8.840 1.00 1.00 C ATOM 1311 O LEU A 115 7.999 7.671 7.981 1.00 1.00 O ATOM 1312 CB LEU A 115 10.504 9.853 8.803 1.00 1.00 C ATOM 1313 CG LEU A 115 10.524 10.316 7.328 1.00 1.00 C ATOM 1314 CD1 LEU A 115 11.973 10.603 6.852 1.00 1.00 C ATOM 1315 CD2 LEU A 115 9.883 9.244 6.431 1.00 1.00 C ATOM 0 H LEU A 115 9.767 9.846 11.164 1.00 1.00 H new ATOM 0 HA LEU A 115 8.355 10.057 8.697 1.00 1.00 H new ATOM 0 HB2 LEU A 115 10.855 10.659 9.448 1.00 1.00 H new ATOM 0 HB3 LEU A 115 11.190 9.016 8.936 1.00 1.00 H new ATOM 0 HG LEU A 115 9.950 11.240 7.255 1.00 1.00 H new ATOM 0 HD11 LEU A 115 11.957 10.927 5.811 1.00 1.00 H new ATOM 0 HD12 LEU A 115 12.410 11.388 7.469 1.00 1.00 H new ATOM 0 HD13 LEU A 115 12.571 9.696 6.941 1.00 1.00 H new ATOM 0 HD21 LEU A 115 9.902 9.579 5.394 1.00 1.00 H new ATOM 0 HD22 LEU A 115 10.441 8.312 6.522 1.00 1.00 H new ATOM 0 HD23 LEU A 115 8.851 9.080 6.741 1.00 1.00 H new ATOM 1327 N SER A 116 9.569 7.062 9.474 1.00 1.00 N ATOM 1328 CA SER A 116 9.445 5.636 9.176 1.00 1.00 C ATOM 1329 C SER A 116 7.986 5.249 9.000 1.00 1.00 C ATOM 1330 O SER A 116 7.596 4.727 7.962 1.00 1.00 O ATOM 1331 CB SER A 116 10.060 4.819 10.313 1.00 1.00 C ATOM 1332 OG SER A 116 10.074 3.445 9.953 1.00 1.00 O ATOM 0 H SER A 116 10.257 7.286 10.193 1.00 1.00 H new ATOM 0 HA SER A 116 9.974 5.428 8.246 1.00 1.00 H new ATOM 0 HB2 SER A 116 11.074 5.163 10.516 1.00 1.00 H new ATOM 0 HB3 SER A 116 9.486 4.960 11.229 1.00 1.00 H new ATOM 0 HG SER A 116 10.469 2.920 10.680 1.00 1.00 H new ATOM 1338 N LEU A 117 7.187 5.512 10.016 1.00 1.00 N ATOM 1339 CA LEU A 117 5.777 5.175 9.935 1.00 1.00 C ATOM 1340 C LEU A 117 5.166 5.900 8.740 1.00 1.00 C ATOM 1341 O LEU A 117 4.485 5.292 7.924 1.00 1.00 O ATOM 1342 CB LEU A 117 5.069 5.579 11.234 1.00 1.00 C ATOM 1343 CG LEU A 117 5.150 4.445 12.263 1.00 1.00 C ATOM 1344 CD1 LEU A 117 6.610 4.070 12.528 1.00 1.00 C ATOM 1345 CD2 LEU A 117 4.498 4.916 13.563 1.00 1.00 C ATOM 0 H LEU A 117 7.480 5.949 10.890 1.00 1.00 H new ATOM 0 HA LEU A 117 5.656 4.100 9.803 1.00 1.00 H new ATOM 0 HB2 LEU A 117 5.528 6.480 11.640 1.00 1.00 H new ATOM 0 HB3 LEU A 117 4.026 5.817 11.028 1.00 1.00 H new ATOM 0 HG LEU A 117 4.631 3.567 11.878 1.00 1.00 H new ATOM 0 HD11 LEU A 117 6.651 3.264 13.260 1.00 1.00 H new ATOM 0 HD12 LEU A 117 7.075 3.741 11.599 1.00 1.00 H new ATOM 0 HD13 LEU A 117 7.144 4.938 12.914 1.00 1.00 H new ATOM 0 HD21 LEU A 117 4.548 4.119 14.305 1.00 1.00 H new ATOM 0 HD22 LEU A 117 5.025 5.794 13.937 1.00 1.00 H new ATOM 0 HD23 LEU A 117 3.455 5.172 13.375 1.00 1.00 H new ATOM 1357 N CYS A 118 5.449 7.188 8.608 1.00 1.00 N ATOM 1358 CA CYS A 118 4.941 7.945 7.469 1.00 1.00 C ATOM 1359 C CYS A 118 5.122 7.160 6.176 1.00 1.00 C ATOM 1360 O CYS A 118 4.231 7.115 5.352 1.00 1.00 O ATOM 1361 CB CYS A 118 5.669 9.302 7.384 1.00 1.00 C ATOM 1362 SG CYS A 118 4.521 10.591 6.834 1.00 1.00 S ATOM 0 H CYS A 118 6.018 7.725 9.262 1.00 1.00 H new ATOM 0 HA CYS A 118 3.874 8.120 7.609 1.00 1.00 H new ATOM 0 HB2 CYS A 118 6.082 9.564 8.358 1.00 1.00 H new ATOM 0 HB3 CYS A 118 6.507 9.231 6.691 1.00 1.00 H new ATOM 0 HG CYS A 118 3.323 10.314 7.256 1.00 1.00 H new ATOM 1368 N LEU A 119 6.262 6.533 6.003 1.00 1.00 N ATOM 1369 CA LEU A 119 6.484 5.764 4.788 1.00 1.00 C ATOM 1370 C LEU A 119 5.534 4.568 4.717 1.00 1.00 C ATOM 1371 O LEU A 119 4.905 4.320 3.691 1.00 1.00 O ATOM 1372 CB LEU A 119 7.928 5.283 4.756 1.00 1.00 C ATOM 1373 CG LEU A 119 8.866 6.490 4.609 1.00 1.00 C ATOM 1374 CD1 LEU A 119 10.293 6.059 4.943 1.00 1.00 C ATOM 1375 CD2 LEU A 119 8.824 7.043 3.171 1.00 1.00 C ATOM 0 H LEU A 119 7.037 6.535 6.667 1.00 1.00 H new ATOM 0 HA LEU A 119 6.288 6.403 3.927 1.00 1.00 H new ATOM 0 HB2 LEU A 119 8.161 4.737 5.670 1.00 1.00 H new ATOM 0 HB3 LEU A 119 8.074 4.592 3.926 1.00 1.00 H new ATOM 0 HG LEU A 119 8.539 7.274 5.292 1.00 1.00 H new ATOM 0 HD11 LEU A 119 10.964 6.912 4.840 1.00 1.00 H new ATOM 0 HD12 LEU A 119 10.331 5.689 5.967 1.00 1.00 H new ATOM 0 HD13 LEU A 119 10.604 5.269 4.260 1.00 1.00 H new ATOM 0 HD21 LEU A 119 9.496 7.897 3.090 1.00 1.00 H new ATOM 0 HD22 LEU A 119 9.138 6.267 2.473 1.00 1.00 H new ATOM 0 HD23 LEU A 119 7.808 7.356 2.931 1.00 1.00 H new ATOM 1387 N GLN A 120 5.469 3.809 5.800 1.00 1.00 N ATOM 1388 CA GLN A 120 4.624 2.620 5.832 1.00 1.00 C ATOM 1389 C GLN A 120 3.150 3.000 5.881 1.00 1.00 C ATOM 1390 O GLN A 120 2.347 2.518 5.083 1.00 1.00 O ATOM 1391 CB GLN A 120 4.968 1.763 7.052 1.00 1.00 C ATOM 1392 CG GLN A 120 6.484 1.648 7.183 1.00 1.00 C ATOM 1393 CD GLN A 120 6.840 0.737 8.355 1.00 1.00 C ATOM 1394 OE1 GLN A 120 6.294 -0.358 8.474 1.00 1.00 O ATOM 1395 NE2 GLN A 120 7.726 1.126 9.232 1.00 1.00 N ATOM 0 H GLN A 120 5.984 3.990 6.661 1.00 1.00 H new ATOM 0 HA GLN A 120 4.809 2.051 4.921 1.00 1.00 H new ATOM 0 HB2 GLN A 120 4.547 2.209 7.953 1.00 1.00 H new ATOM 0 HB3 GLN A 120 4.525 0.772 6.950 1.00 1.00 H new ATOM 0 HG2 GLN A 120 6.908 1.250 6.261 1.00 1.00 H new ATOM 0 HG3 GLN A 120 6.920 2.636 7.334 1.00 1.00 H new ATOM 0 HE21 GLN A 120 8.178 2.035 9.132 1.00 1.00 H new ATOM 0 HE22 GLN A 120 7.966 0.521 10.017 1.00 1.00 H new ATOM 1404 N GLU A 121 2.806 3.862 6.833 1.00 1.00 N ATOM 1405 CA GLU A 121 1.428 4.305 7.004 1.00 1.00 C ATOM 1406 C GLU A 121 0.991 5.224 5.863 1.00 1.00 C ATOM 1407 O GLU A 121 -0.146 5.152 5.402 1.00 1.00 O ATOM 1408 CB GLU A 121 1.294 5.019 8.347 1.00 1.00 C ATOM 1409 CG GLU A 121 1.536 4.021 9.482 1.00 1.00 C ATOM 1410 CD GLU A 121 1.211 4.655 10.834 1.00 1.00 C ATOM 1411 OE1 GLU A 121 0.410 5.572 10.864 1.00 1.00 O ATOM 1412 OE2 GLU A 121 1.741 4.186 11.828 1.00 1.00 O ATOM 0 H GLU A 121 3.464 4.268 7.498 1.00 1.00 H new ATOM 0 HA GLU A 121 0.775 3.432 6.986 1.00 1.00 H new ATOM 0 HB2 GLU A 121 2.011 5.837 8.409 1.00 1.00 H new ATOM 0 HB3 GLU A 121 0.301 5.458 8.440 1.00 1.00 H new ATOM 0 HG2 GLU A 121 0.919 3.135 9.332 1.00 1.00 H new ATOM 0 HG3 GLU A 121 2.575 3.692 9.469 1.00 1.00 H new ATOM 1419 N ARG A 122 1.902 6.088 5.429 1.00 1.00 N ATOM 1420 CA ARG A 122 1.614 7.032 4.347 1.00 1.00 C ATOM 1421 C ARG A 122 0.527 8.011 4.750 1.00 1.00 C ATOM 1422 O ARG A 122 -0.489 8.153 4.070 1.00 1.00 O ATOM 1423 CB ARG A 122 1.191 6.274 3.100 1.00 1.00 C ATOM 1424 CG ARG A 122 2.187 5.148 2.848 1.00 1.00 C ATOM 1425 CD ARG A 122 1.786 4.421 1.580 1.00 1.00 C ATOM 1426 NE ARG A 122 2.744 3.367 1.264 1.00 1.00 N ATOM 1427 CZ ARG A 122 2.642 2.155 1.803 1.00 1.00 C ATOM 1428 NH1 ARG A 122 1.676 1.890 2.640 1.00 1.00 N ATOM 1429 NH2 ARG A 122 3.509 1.229 1.492 1.00 1.00 N ATOM 0 H ARG A 122 2.847 6.157 5.807 1.00 1.00 H new ATOM 0 HA ARG A 122 2.521 7.599 4.138 1.00 1.00 H new ATOM 0 HB2 ARG A 122 0.187 5.869 3.227 1.00 1.00 H new ATOM 0 HB3 ARG A 122 1.157 6.947 2.243 1.00 1.00 H new ATOM 0 HG2 ARG A 122 3.195 5.550 2.751 1.00 1.00 H new ATOM 0 HG3 ARG A 122 2.199 4.458 3.692 1.00 1.00 H new ATOM 0 HD2 ARG A 122 0.792 3.991 1.701 1.00 1.00 H new ATOM 0 HD3 ARG A 122 1.729 5.128 0.752 1.00 1.00 H new ATOM 0 HE ARG A 122 3.507 3.563 0.617 1.00 1.00 H new ATOM 0 HH11 ARG A 122 0.998 2.613 2.882 1.00 1.00 H new ATOM 0 HH12 ARG A 122 1.599 0.960 3.052 1.00 1.00 H new ATOM 0 HH21 ARG A 122 4.263 1.436 0.837 1.00 1.00 H new ATOM 0 HH22 ARG A 122 3.432 0.299 1.904 1.00 1.00 H new ATOM 1443 N ARG A 123 0.753 8.675 5.875 1.00 1.00 N ATOM 1444 CA ARG A 123 -0.207 9.642 6.400 1.00 1.00 C ATOM 1445 C ARG A 123 0.491 10.716 7.226 1.00 1.00 C ATOM 1446 O ARG A 123 1.714 10.858 7.175 1.00 1.00 O ATOM 1447 CB ARG A 123 -1.247 8.904 7.259 1.00 1.00 C ATOM 1448 CG ARG A 123 -0.754 8.650 8.706 1.00 1.00 C ATOM 1449 CD ARG A 123 0.690 8.119 8.767 1.00 1.00 C ATOM 1450 NE ARG A 123 1.641 9.193 9.066 1.00 1.00 N ATOM 1451 CZ ARG A 123 2.821 8.926 9.615 1.00 1.00 C ATOM 1452 NH1 ARG A 123 3.129 7.695 9.913 1.00 1.00 N ATOM 1453 NH2 ARG A 123 3.685 9.881 9.824 1.00 1.00 N ATOM 0 H ARG A 123 1.592 8.563 6.444 1.00 1.00 H new ATOM 0 HA ARG A 123 -0.702 10.136 5.564 1.00 1.00 H new ATOM 0 HB2 ARG A 123 -2.167 9.488 7.290 1.00 1.00 H new ATOM 0 HB3 ARG A 123 -1.490 7.951 6.789 1.00 1.00 H new ATOM 0 HG2 ARG A 123 -0.818 9.578 9.274 1.00 1.00 H new ATOM 0 HG3 ARG A 123 -1.419 7.934 9.190 1.00 1.00 H new ATOM 0 HD2 ARG A 123 0.763 7.344 9.530 1.00 1.00 H new ATOM 0 HD3 ARG A 123 0.950 7.655 7.815 1.00 1.00 H new ATOM 0 HE ARG A 123 1.394 10.159 8.850 1.00 1.00 H new ATOM 0 HH11 ARG A 123 2.466 6.943 9.724 1.00 1.00 H new ATOM 0 HH12 ARG A 123 4.033 7.483 10.335 1.00 1.00 H new ATOM 0 HH21 ARG A 123 3.457 10.841 9.565 1.00 1.00 H new ATOM 0 HH22 ARG A 123 4.589 9.668 10.246 1.00 1.00 H new ATOM 1467 N LEU A 124 -0.296 11.459 8.007 1.00 1.00 N ATOM 1468 CA LEU A 124 0.243 12.508 8.874 1.00 1.00 C ATOM 1469 C LEU A 124 -0.088 12.218 10.339 1.00 1.00 C ATOM 1470 O LEU A 124 -1.135 12.634 10.839 1.00 1.00 O ATOM 1471 CB LEU A 124 -0.352 13.867 8.492 1.00 1.00 C ATOM 1472 CG LEU A 124 0.464 14.996 9.160 1.00 1.00 C ATOM 1473 CD1 LEU A 124 1.629 15.413 8.259 1.00 1.00 C ATOM 1474 CD2 LEU A 124 -0.439 16.212 9.401 1.00 1.00 C ATOM 0 H LEU A 124 -1.309 11.353 8.057 1.00 1.00 H new ATOM 0 HA LEU A 124 1.325 12.529 8.745 1.00 1.00 H new ATOM 0 HB2 LEU A 124 -0.341 13.989 7.409 1.00 1.00 H new ATOM 0 HB3 LEU A 124 -1.394 13.921 8.808 1.00 1.00 H new ATOM 0 HG LEU A 124 0.855 14.629 10.109 1.00 1.00 H new ATOM 0 HD11 LEU A 124 2.196 16.209 8.742 1.00 1.00 H new ATOM 0 HD12 LEU A 124 2.281 14.556 8.087 1.00 1.00 H new ATOM 0 HD13 LEU A 124 1.241 15.771 7.305 1.00 1.00 H new ATOM 0 HD21 LEU A 124 0.139 17.007 9.872 1.00 1.00 H new ATOM 0 HD22 LEU A 124 -0.834 16.566 8.449 1.00 1.00 H new ATOM 0 HD23 LEU A 124 -1.265 15.928 10.053 1.00 1.00 H new ATOM 1486 N VAL A 125 0.819 11.522 11.023 1.00 1.00 N ATOM 1487 CA VAL A 125 0.628 11.196 12.438 1.00 1.00 C ATOM 1488 C VAL A 125 1.015 12.386 13.308 1.00 1.00 C ATOM 1489 O VAL A 125 1.834 13.217 12.916 1.00 1.00 O ATOM 1490 CB VAL A 125 1.468 9.965 12.829 1.00 1.00 C ATOM 1491 CG1 VAL A 125 0.953 8.727 12.060 1.00 1.00 C ATOM 1492 CG2 VAL A 125 2.967 10.226 12.517 1.00 1.00 C ATOM 0 H VAL A 125 1.690 11.174 10.623 1.00 1.00 H new ATOM 0 HA VAL A 125 -0.425 10.964 12.598 1.00 1.00 H new ATOM 0 HB VAL A 125 1.371 9.778 13.898 1.00 1.00 H new ATOM 0 HG11 VAL A 125 1.546 7.855 12.335 1.00 1.00 H new ATOM 0 HG12 VAL A 125 -0.092 8.550 12.314 1.00 1.00 H new ATOM 0 HG13 VAL A 125 1.041 8.902 10.988 1.00 1.00 H new ATOM 0 HG21 VAL A 125 3.554 9.351 12.796 1.00 1.00 H new ATOM 0 HG22 VAL A 125 3.088 10.420 11.451 1.00 1.00 H new ATOM 0 HG23 VAL A 125 3.312 11.091 13.084 1.00 1.00 H new ATOM 1502 N ASP A 126 0.413 12.463 14.485 1.00 1.00 N ATOM 1503 CA ASP A 126 0.687 13.556 15.410 1.00 1.00 C ATOM 1504 C ASP A 126 2.090 13.425 15.976 1.00 1.00 C ATOM 1505 O ASP A 126 2.436 12.413 16.585 1.00 1.00 O ATOM 1506 CB ASP A 126 -0.339 13.554 16.546 1.00 1.00 C ATOM 1507 CG ASP A 126 -0.310 12.216 17.276 1.00 1.00 C ATOM 1508 OD1 ASP A 126 0.322 11.303 16.772 1.00 1.00 O ATOM 1509 OD2 ASP A 126 -0.925 12.122 18.326 1.00 1.00 O ATOM 0 H ASP A 126 -0.268 11.783 14.823 1.00 1.00 H new ATOM 0 HA ASP A 126 0.613 14.499 14.869 1.00 1.00 H new ATOM 0 HB2 ASP A 126 -0.122 14.363 17.244 1.00 1.00 H new ATOM 0 HB3 ASP A 126 -1.336 13.737 16.146 1.00 1.00 H new ATOM 1514 N VAL A 127 2.894 14.458 15.764 1.00 1.00 N ATOM 1515 CA VAL A 127 4.263 14.461 16.244 1.00 1.00 C ATOM 1516 C VAL A 127 4.281 14.631 17.761 1.00 1.00 C ATOM 1517 O VAL A 127 3.621 13.878 18.473 1.00 1.00 O ATOM 1518 CB VAL A 127 5.048 15.590 15.566 1.00 1.00 C ATOM 1519 CG1 VAL A 127 5.225 15.271 14.084 1.00 1.00 C ATOM 1520 CG2 VAL A 127 4.300 16.925 15.718 1.00 1.00 C ATOM 0 H VAL A 127 2.619 15.303 15.263 1.00 1.00 H new ATOM 0 HA VAL A 127 4.735 13.510 15.996 1.00 1.00 H new ATOM 0 HB VAL A 127 6.025 15.676 16.042 1.00 1.00 H new ATOM 0 HG11 VAL A 127 5.783 16.074 13.603 1.00 1.00 H new ATOM 0 HG12 VAL A 127 5.772 14.334 13.976 1.00 1.00 H new ATOM 0 HG13 VAL A 127 4.247 15.176 13.613 1.00 1.00 H new ATOM 0 HG21 VAL A 127 4.868 17.718 15.232 1.00 1.00 H new ATOM 0 HG22 VAL A 127 3.317 16.846 15.254 1.00 1.00 H new ATOM 0 HG23 VAL A 127 4.184 17.158 16.776 1.00 1.00 H new ATOM 1530 N ALA A 128 5.024 15.625 18.243 1.00 1.00 N ATOM 1531 CA ALA A 128 5.111 15.887 19.673 1.00 1.00 C ATOM 1532 C ALA A 128 5.757 14.712 20.398 1.00 1.00 C ATOM 1533 O ALA A 128 6.831 14.845 20.985 1.00 1.00 O ATOM 1534 CB ALA A 128 3.716 16.146 20.233 1.00 1.00 C ATOM 0 H ALA A 128 5.573 16.260 17.663 1.00 1.00 H new ATOM 0 HA ALA A 128 5.732 16.769 19.830 1.00 1.00 H new ATOM 0 HB1 ALA A 128 3.784 16.342 21.303 1.00 1.00 H new ATOM 0 HB2 ALA A 128 3.278 17.010 19.733 1.00 1.00 H new ATOM 0 HB3 ALA A 128 3.088 15.272 20.063 1.00 1.00 H new ATOM 1540 N GLY A 129 5.096 13.563 20.348 1.00 1.00 N ATOM 1541 CA GLY A 129 5.617 12.373 21.002 1.00 1.00 C ATOM 1542 C GLY A 129 6.984 12.009 20.442 1.00 1.00 C ATOM 1543 O GLY A 129 7.919 11.733 21.194 1.00 1.00 O ATOM 0 H GLY A 129 4.207 13.431 19.866 1.00 1.00 H new ATOM 0 HA2 GLY A 129 5.692 12.545 22.076 1.00 1.00 H new ATOM 0 HA3 GLY A 129 4.927 11.542 20.860 1.00 1.00 H new ATOM 1547 N PHE A 130 7.102 12.022 19.117 1.00 1.00 N ATOM 1548 CA PHE A 130 8.372 11.696 18.474 1.00 1.00 C ATOM 1549 C PHE A 130 9.236 12.943 18.370 1.00 1.00 C ATOM 1550 O PHE A 130 10.395 12.872 17.978 1.00 1.00 O ATOM 1551 CB PHE A 130 8.130 11.126 17.077 1.00 1.00 C ATOM 1552 CG PHE A 130 7.235 9.913 17.182 1.00 1.00 C ATOM 1553 CD1 PHE A 130 7.690 8.763 17.837 1.00 1.00 C ATOM 1554 CD2 PHE A 130 5.949 9.940 16.627 1.00 1.00 C ATOM 1555 CE1 PHE A 130 6.860 7.640 17.938 1.00 1.00 C ATOM 1556 CE2 PHE A 130 5.121 8.817 16.727 1.00 1.00 C ATOM 1557 CZ PHE A 130 5.575 7.667 17.382 1.00 1.00 C ATOM 0 H PHE A 130 6.344 12.252 18.474 1.00 1.00 H new ATOM 0 HA PHE A 130 8.885 10.948 19.079 1.00 1.00 H new ATOM 0 HB2 PHE A 130 7.668 11.879 16.439 1.00 1.00 H new ATOM 0 HB3 PHE A 130 9.078 10.854 16.613 1.00 1.00 H new ATOM 0 HD1 PHE A 130 8.682 8.742 18.265 1.00 1.00 H new ATOM 0 HD2 PHE A 130 5.597 10.827 16.122 1.00 1.00 H new ATOM 0 HE1 PHE A 130 7.211 6.753 18.445 1.00 1.00 H new ATOM 0 HE2 PHE A 130 4.130 8.838 16.298 1.00 1.00 H new ATOM 0 HZ PHE A 130 4.935 6.801 17.459 1.00 1.00 H new ATOM 1567 N SER A 131 8.659 14.090 18.711 1.00 1.00 N ATOM 1568 CA SER A 131 9.390 15.340 18.646 1.00 1.00 C ATOM 1569 C SER A 131 10.311 15.490 19.847 1.00 1.00 C ATOM 1570 O SER A 131 10.100 14.868 20.887 1.00 1.00 O ATOM 1571 CB SER A 131 8.407 16.506 18.597 1.00 1.00 C ATOM 1572 OG SER A 131 8.048 16.873 19.921 1.00 1.00 O ATOM 0 H SER A 131 7.695 14.175 19.032 1.00 1.00 H new ATOM 0 HA SER A 131 10.001 15.340 17.743 1.00 1.00 H new ATOM 0 HB2 SER A 131 8.857 17.354 18.081 1.00 1.00 H new ATOM 0 HB3 SER A 131 7.519 16.224 18.032 1.00 1.00 H new ATOM 0 HG SER A 131 7.805 16.071 20.429 1.00 1.00 H new ATOM 1578 N ILE A 132 11.341 16.317 19.696 1.00 1.00 N ATOM 1579 CA ILE A 132 12.299 16.541 20.777 1.00 1.00 C ATOM 1580 C ILE A 132 11.896 17.748 21.598 1.00 1.00 C ATOM 1581 O ILE A 132 11.671 17.642 22.802 1.00 1.00 O ATOM 1582 CB ILE A 132 13.680 16.786 20.182 1.00 1.00 C ATOM 1583 CG1 ILE A 132 14.079 15.568 19.346 1.00 1.00 C ATOM 1584 CG2 ILE A 132 14.695 16.979 21.316 1.00 1.00 C ATOM 1585 CD1 ILE A 132 15.233 15.921 18.409 1.00 1.00 C ATOM 0 H ILE A 132 11.534 16.841 18.842 1.00 1.00 H new ATOM 0 HA ILE A 132 12.316 15.661 21.420 1.00 1.00 H new ATOM 0 HB ILE A 132 13.663 17.678 19.556 1.00 1.00 H new ATOM 0 HG12 ILE A 132 14.372 14.749 20.002 1.00 1.00 H new ATOM 0 HG13 ILE A 132 13.224 15.221 18.766 1.00 1.00 H new ATOM 0 HG21 ILE A 132 15.684 17.154 20.893 1.00 1.00 H new ATOM 0 HG22 ILE A 132 14.403 17.835 21.924 1.00 1.00 H new ATOM 0 HG23 ILE A 132 14.720 16.084 21.938 1.00 1.00 H new ATOM 0 HD11 ILE A 132 15.505 15.045 17.821 1.00 1.00 H new ATOM 0 HD12 ILE A 132 14.926 16.725 17.740 1.00 1.00 H new ATOM 0 HD13 ILE A 132 16.092 16.245 18.996 1.00 1.00 H new ATOM 1597 N PHE A 133 11.823 18.889 20.919 1.00 1.00 N ATOM 1598 CA PHE A 133 11.459 20.163 21.550 1.00 1.00 C ATOM 1599 C PHE A 133 12.489 20.595 22.605 1.00 1.00 C ATOM 1600 O PHE A 133 12.689 21.788 22.792 1.00 1.00 O ATOM 1601 CB PHE A 133 10.054 20.070 22.195 1.00 1.00 C ATOM 1602 CG PHE A 133 9.806 21.258 23.119 1.00 1.00 C ATOM 1603 CD1 PHE A 133 9.938 22.566 22.636 1.00 1.00 C ATOM 1604 CD2 PHE A 133 9.454 21.046 24.466 1.00 1.00 C ATOM 1605 CE1 PHE A 133 9.714 23.657 23.489 1.00 1.00 C ATOM 1606 CE2 PHE A 133 9.234 22.138 25.315 1.00 1.00 C ATOM 1607 CZ PHE A 133 9.363 23.443 24.825 1.00 1.00 C ATOM 0 H PHE A 133 12.013 18.961 19.919 1.00 1.00 H new ATOM 0 HA PHE A 133 11.446 20.918 20.764 1.00 1.00 H new ATOM 0 HB2 PHE A 133 9.292 20.043 21.416 1.00 1.00 H new ATOM 0 HB3 PHE A 133 9.967 19.141 22.758 1.00 1.00 H new ATOM 0 HD1 PHE A 133 10.213 22.735 21.605 1.00 1.00 H new ATOM 0 HD2 PHE A 133 9.354 20.040 24.845 1.00 1.00 H new ATOM 0 HE1 PHE A 133 9.813 24.664 23.113 1.00 1.00 H new ATOM 0 HE2 PHE A 133 8.965 21.973 26.348 1.00 1.00 H new ATOM 0 HZ PHE A 133 9.191 24.285 25.479 1.00 1.00 H new ATOM 1617 N ILE A 134 13.096 19.608 23.286 1.00 1.00 N ATOM 1618 CA ILE A 134 14.083 19.810 24.358 1.00 1.00 C ATOM 1619 C ILE A 134 14.043 18.616 25.330 1.00 1.00 C ATOM 1620 O ILE A 134 15.075 17.997 25.582 1.00 1.00 O ATOM 1621 CB ILE A 134 13.819 21.138 25.130 1.00 1.00 C ATOM 1622 CG1 ILE A 134 14.633 22.285 24.477 1.00 1.00 C ATOM 1623 CG2 ILE A 134 14.187 21.024 26.630 1.00 1.00 C ATOM 1624 CD1 ILE A 134 16.027 22.409 25.108 1.00 1.00 C ATOM 0 H ILE A 134 12.908 18.623 23.101 1.00 1.00 H new ATOM 0 HA ILE A 134 15.072 19.879 23.904 1.00 1.00 H new ATOM 0 HB ILE A 134 12.752 21.351 25.070 1.00 1.00 H new ATOM 0 HG12 ILE A 134 14.731 22.101 23.407 1.00 1.00 H new ATOM 0 HG13 ILE A 134 14.095 23.226 24.591 1.00 1.00 H new ATOM 0 HG21 ILE A 134 13.986 21.973 27.127 1.00 1.00 H new ATOM 0 HG22 ILE A 134 13.589 20.239 27.093 1.00 1.00 H new ATOM 0 HG23 ILE A 134 15.245 20.780 26.728 1.00 1.00 H new ATOM 0 HD11 ILE A 134 16.572 23.222 24.628 1.00 1.00 H new ATOM 0 HD12 ILE A 134 15.927 22.618 26.173 1.00 1.00 H new ATOM 0 HD13 ILE A 134 16.573 21.475 24.971 1.00 1.00 H new ATOM 1636 N PRO A 135 12.893 18.295 25.898 1.00 1.00 N ATOM 1637 CA PRO A 135 12.787 17.176 26.885 1.00 1.00 C ATOM 1638 C PRO A 135 13.212 15.835 26.282 1.00 1.00 C ATOM 1639 O PRO A 135 14.340 15.437 26.522 1.00 1.00 O ATOM 1640 CB PRO A 135 11.299 17.187 27.297 1.00 1.00 C ATOM 1641 CG PRO A 135 10.594 17.874 26.176 1.00 1.00 C ATOM 1642 CD PRO A 135 11.572 18.928 25.668 1.00 1.00 C ATOM 1643 OXT PRO A 135 12.407 15.229 25.595 1.00 1.00 O ATOM 0 HA PRO A 135 13.453 17.307 27.738 1.00 1.00 H new ATOM 0 HB2 PRO A 135 10.921 16.175 27.440 1.00 1.00 H new ATOM 0 HB3 PRO A 135 11.154 17.717 28.238 1.00 1.00 H new ATOM 0 HG2 PRO A 135 10.331 17.170 25.387 1.00 1.00 H new ATOM 0 HG3 PRO A 135 9.666 18.332 26.517 1.00 1.00 H new ATOM 0 HD2 PRO A 135 11.411 19.154 24.614 1.00 1.00 H new ATOM 0 HD3 PRO A 135 11.474 19.866 26.214 1.00 1.00 H new