USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=14 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 81 THR OG1 : rot 180:sc=-0.000772 USER MOD Set 1.2: A 82 HIS : no HE2:sc= -5.86! C(o=-9.5!,f=-13!) USER MOD Set 1.3: A 108 GLN : amide:sc= -3.68! K(o=-9.5!,f=-3.5) USER MOD Set 2.1: A 64 GLN : amide:sc= -0.805 K(o=-5.6,f=-7.6!) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -4.76 K(o=-5.6,f=-8.8!) USER MOD Single : A 42 SER OG : rot -160:sc= -1.27 USER MOD Single : A 43 SER OG : rot 180:sc= -2.11! USER MOD Single : A 47 HIS : no HE2:sc= -0.052 K(o=-0.052,f=-0.83) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0618 USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.113) USER MOD Single : A 67 GLN : amide:sc= -6.08! C(o=-6.1!,f=-9.3!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 73 CYS SG : rot 50:sc= -1.06! USER MOD Single : A 76 GLN : amide:sc= -2.83 K(o=-2.8,f=-0.63) USER MOD Single : A 89 MET CE :methyl 137:sc=-0.00843 (180deg=-0.452) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 68:sc= -1.19! USER MOD Single : A 116 SER OG : rot -37:sc= 0.686 USER MOD Single : A 118 CYS SG : rot 146:sc= -0.951 USER MOD Single : A 120 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.65) USER MOD Single : A 131 SER OG : rot 68:sc= 0.131 USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 39 2.249 8.363 -5.014 1.00 1.00 N ATOM 109 CA GLU A 39 2.853 9.321 -4.087 1.00 1.00 C ATOM 110 C GLU A 39 1.931 9.564 -2.900 1.00 1.00 C ATOM 111 O GLU A 39 0.728 9.767 -3.066 1.00 1.00 O ATOM 112 CB GLU A 39 3.123 10.644 -4.804 1.00 1.00 C ATOM 113 CG GLU A 39 4.261 10.454 -5.809 1.00 1.00 C ATOM 114 CD GLU A 39 4.490 11.746 -6.586 1.00 1.00 C ATOM 115 OE1 GLU A 39 3.799 12.712 -6.305 1.00 1.00 O ATOM 116 OE2 GLU A 39 5.353 11.751 -7.448 1.00 1.00 O ATOM 0 HA GLU A 39 3.794 8.907 -3.726 1.00 1.00 H new ATOM 0 HB2 GLU A 39 2.223 10.983 -5.317 1.00 1.00 H new ATOM 0 HB3 GLU A 39 3.387 11.415 -4.080 1.00 1.00 H new ATOM 0 HG2 GLU A 39 5.174 10.167 -5.287 1.00 1.00 H new ATOM 0 HG3 GLU A 39 4.019 9.644 -6.497 1.00 1.00 H new ATOM 123 N TRP A 40 2.503 9.541 -1.698 1.00 1.00 N ATOM 124 CA TRP A 40 1.728 9.758 -0.476 1.00 1.00 C ATOM 125 C TRP A 40 2.516 10.610 0.507 1.00 1.00 C ATOM 126 O TRP A 40 1.957 11.465 1.193 1.00 1.00 O ATOM 127 CB TRP A 40 1.382 8.405 0.164 1.00 1.00 C ATOM 128 CG TRP A 40 2.535 7.471 0.008 1.00 1.00 C ATOM 129 CD1 TRP A 40 2.829 6.778 -1.116 1.00 1.00 C ATOM 130 CD2 TRP A 40 3.548 7.114 0.988 1.00 1.00 C ATOM 131 NE1 TRP A 40 3.958 6.014 -0.885 1.00 1.00 N ATOM 132 CE2 TRP A 40 4.438 6.186 0.398 1.00 1.00 C ATOM 133 CE3 TRP A 40 3.779 7.494 2.323 1.00 1.00 C ATOM 134 CZ2 TRP A 40 5.519 5.658 1.103 1.00 1.00 C ATOM 135 CZ3 TRP A 40 4.869 6.965 3.037 1.00 1.00 C ATOM 136 CH2 TRP A 40 5.735 6.049 2.427 1.00 1.00 C ATOM 0 H TRP A 40 3.497 9.375 -1.543 1.00 1.00 H new ATOM 0 HA TRP A 40 0.807 10.283 -0.731 1.00 1.00 H new ATOM 0 HB2 TRP A 40 1.150 8.539 1.220 1.00 1.00 H new ATOM 0 HB3 TRP A 40 0.493 7.985 -0.307 1.00 1.00 H new ATOM 0 HD1 TRP A 40 2.273 6.815 -2.041 1.00 1.00 H new ATOM 0 HE1 TRP A 40 4.384 5.399 -1.578 1.00 1.00 H new ATOM 0 HE3 TRP A 40 3.114 8.197 2.803 1.00 1.00 H new ATOM 0 HZ2 TRP A 40 6.185 4.952 0.629 1.00 1.00 H new ATOM 0 HZ3 TRP A 40 5.039 7.266 4.060 1.00 1.00 H new ATOM 0 HH2 TRP A 40 6.570 5.645 2.980 1.00 1.00 H new ATOM 147 N LEU A 41 3.818 10.373 0.574 1.00 1.00 N ATOM 148 CA LEU A 41 4.672 11.125 1.482 1.00 1.00 C ATOM 149 C LEU A 41 5.118 12.434 0.844 1.00 1.00 C ATOM 150 O LEU A 41 5.764 13.263 1.483 1.00 1.00 O ATOM 151 CB LEU A 41 5.902 10.296 1.849 1.00 1.00 C ATOM 152 CG LEU A 41 6.562 10.859 3.141 1.00 1.00 C ATOM 153 CD1 LEU A 41 6.239 9.959 4.342 1.00 1.00 C ATOM 154 CD2 LEU A 41 8.076 10.934 2.950 1.00 1.00 C ATOM 0 H LEU A 41 4.303 9.671 0.015 1.00 1.00 H new ATOM 0 HA LEU A 41 4.099 11.349 2.382 1.00 1.00 H new ATOM 0 HB2 LEU A 41 5.616 9.255 2.001 1.00 1.00 H new ATOM 0 HB3 LEU A 41 6.619 10.313 1.028 1.00 1.00 H new ATOM 0 HG LEU A 41 6.167 11.856 3.333 1.00 1.00 H new ATOM 0 HD11 LEU A 41 6.708 10.366 5.238 1.00 1.00 H new ATOM 0 HD12 LEU A 41 5.159 9.916 4.485 1.00 1.00 H new ATOM 0 HD13 LEU A 41 6.621 8.955 4.157 1.00 1.00 H new ATOM 0 HD21 LEU A 41 8.538 11.328 3.855 1.00 1.00 H new ATOM 0 HD22 LEU A 41 8.467 9.937 2.748 1.00 1.00 H new ATOM 0 HD23 LEU A 41 8.305 11.590 2.110 1.00 1.00 H new ATOM 166 N SER A 42 4.780 12.603 -0.424 1.00 1.00 N ATOM 167 CA SER A 42 5.154 13.810 -1.146 1.00 1.00 C ATOM 168 C SER A 42 4.484 15.036 -0.539 1.00 1.00 C ATOM 169 O SER A 42 5.042 16.132 -0.551 1.00 1.00 O ATOM 170 CB SER A 42 4.753 13.694 -2.609 1.00 1.00 C ATOM 171 OG SER A 42 5.255 12.481 -3.146 1.00 1.00 O ATOM 0 H SER A 42 4.251 11.925 -0.972 1.00 1.00 H new ATOM 0 HA SER A 42 6.235 13.923 -1.071 1.00 1.00 H new ATOM 0 HB2 SER A 42 3.667 13.723 -2.702 1.00 1.00 H new ATOM 0 HB3 SER A 42 5.144 14.542 -3.172 1.00 1.00 H new ATOM 0 HG SER A 42 5.283 12.543 -4.124 1.00 1.00 H new ATOM 177 N SER A 43 3.276 14.844 -0.021 1.00 1.00 N ATOM 178 CA SER A 43 2.532 15.943 0.576 1.00 1.00 C ATOM 179 C SER A 43 3.328 16.592 1.699 1.00 1.00 C ATOM 180 O SER A 43 3.382 17.818 1.799 1.00 1.00 O ATOM 181 CB SER A 43 1.196 15.426 1.124 1.00 1.00 C ATOM 182 OG SER A 43 1.404 14.175 1.763 1.00 1.00 O ATOM 0 H SER A 43 2.795 13.945 -0.003 1.00 1.00 H new ATOM 0 HA SER A 43 2.348 16.692 -0.194 1.00 1.00 H new ATOM 0 HB2 SER A 43 0.777 16.143 1.830 1.00 1.00 H new ATOM 0 HB3 SER A 43 0.475 15.318 0.314 1.00 1.00 H new ATOM 0 HG SER A 43 0.552 13.842 2.116 1.00 1.00 H new ATOM 188 N LEU A 44 3.953 15.775 2.544 1.00 1.00 N ATOM 189 CA LEU A 44 4.744 16.310 3.653 1.00 1.00 C ATOM 190 C LEU A 44 6.236 16.284 3.316 1.00 1.00 C ATOM 191 O LEU A 44 6.861 15.225 3.278 1.00 1.00 O ATOM 192 CB LEU A 44 4.506 15.454 4.908 1.00 1.00 C ATOM 193 CG LEU A 44 4.364 13.961 4.505 1.00 1.00 C ATOM 194 CD1 LEU A 44 4.981 13.062 5.587 1.00 1.00 C ATOM 195 CD2 LEU A 44 2.880 13.607 4.320 1.00 1.00 C ATOM 0 H LEU A 44 3.930 14.757 2.486 1.00 1.00 H new ATOM 0 HA LEU A 44 4.437 17.341 3.831 1.00 1.00 H new ATOM 0 HB2 LEU A 44 5.335 15.575 5.605 1.00 1.00 H new ATOM 0 HB3 LEU A 44 3.605 15.789 5.423 1.00 1.00 H new ATOM 0 HG LEU A 44 4.891 13.798 3.565 1.00 1.00 H new ATOM 0 HD11 LEU A 44 4.876 12.017 5.295 1.00 1.00 H new ATOM 0 HD12 LEU A 44 6.038 13.303 5.701 1.00 1.00 H new ATOM 0 HD13 LEU A 44 4.467 13.227 6.534 1.00 1.00 H new ATOM 0 HD21 LEU A 44 2.789 12.558 4.037 1.00 1.00 H new ATOM 0 HD22 LEU A 44 2.346 13.779 5.254 1.00 1.00 H new ATOM 0 HD23 LEU A 44 2.452 14.232 3.537 1.00 1.00 H new ATOM 207 N ARG A 45 6.785 17.460 3.074 1.00 1.00 N ATOM 208 CA ARG A 45 8.191 17.576 2.743 1.00 1.00 C ATOM 209 C ARG A 45 9.022 17.231 3.959 1.00 1.00 C ATOM 210 O ARG A 45 9.041 17.966 4.943 1.00 1.00 O ATOM 211 CB ARG A 45 8.508 19.003 2.279 1.00 1.00 C ATOM 212 CG ARG A 45 7.928 19.270 0.863 1.00 1.00 C ATOM 213 CD ARG A 45 6.554 19.929 0.981 1.00 1.00 C ATOM 214 NE ARG A 45 5.948 20.039 -0.336 1.00 1.00 N ATOM 215 CZ ARG A 45 6.302 21.005 -1.170 1.00 1.00 C ATOM 216 NH1 ARG A 45 7.215 21.869 -0.818 1.00 1.00 N ATOM 217 NH2 ARG A 45 5.744 21.086 -2.345 1.00 1.00 N ATOM 0 H ARG A 45 6.279 18.346 3.101 1.00 1.00 H new ATOM 0 HA ARG A 45 8.429 16.886 1.934 1.00 1.00 H new ATOM 0 HB2 ARG A 45 8.093 19.720 2.987 1.00 1.00 H new ATOM 0 HB3 ARG A 45 9.587 19.154 2.268 1.00 1.00 H new ATOM 0 HG2 ARG A 45 8.603 19.914 0.299 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.846 18.334 0.311 1.00 1.00 H new ATOM 0 HD2 ARG A 45 5.913 19.341 1.639 1.00 1.00 H new ATOM 0 HD3 ARG A 45 6.651 20.917 1.431 1.00 1.00 H new ATOM 0 HE ARG A 45 5.240 19.363 -0.622 1.00 1.00 H new ATOM 0 HH11 ARG A 45 7.656 21.800 0.099 1.00 1.00 H new ATOM 0 HH12 ARG A 45 7.488 22.613 -1.460 1.00 1.00 H new ATOM 0 HH21 ARG A 45 5.036 20.406 -2.621 1.00 1.00 H new ATOM 0 HH22 ARG A 45 6.016 21.829 -2.988 1.00 1.00 H new ATOM 231 N ALA A 46 9.698 16.092 3.891 1.00 1.00 N ATOM 232 CA ALA A 46 10.520 15.639 5.006 1.00 1.00 C ATOM 233 C ALA A 46 11.947 16.140 4.865 1.00 1.00 C ATOM 234 O ALA A 46 12.371 16.546 3.784 1.00 1.00 O ATOM 235 CB ALA A 46 10.532 14.113 5.055 1.00 1.00 C ATOM 0 H ALA A 46 9.694 15.469 3.083 1.00 1.00 H new ATOM 0 HA ALA A 46 10.093 16.039 5.926 1.00 1.00 H new ATOM 0 HB1 ALA A 46 11.148 13.781 5.890 1.00 1.00 H new ATOM 0 HB2 ALA A 46 9.514 13.745 5.186 1.00 1.00 H new ATOM 0 HB3 ALA A 46 10.942 13.722 4.124 1.00 1.00 H new ATOM 241 N HIS A 47 12.685 16.099 5.964 1.00 1.00 N ATOM 242 CA HIS A 47 14.069 16.544 5.959 1.00 1.00 C ATOM 243 C HIS A 47 14.873 15.739 6.954 1.00 1.00 C ATOM 244 O HIS A 47 14.466 15.576 8.103 1.00 1.00 O ATOM 245 CB HIS A 47 14.146 18.023 6.330 1.00 1.00 C ATOM 246 CG HIS A 47 15.582 18.472 6.304 1.00 1.00 C ATOM 247 ND1 HIS A 47 16.265 18.688 5.118 1.00 1.00 N ATOM 248 CD2 HIS A 47 16.477 18.751 7.308 1.00 1.00 C ATOM 249 CE1 HIS A 47 17.514 19.078 5.435 1.00 1.00 C ATOM 250 NE2 HIS A 47 17.696 19.133 6.755 1.00 1.00 N ATOM 0 H HIS A 47 12.350 15.763 6.867 1.00 1.00 H new ATOM 0 HA HIS A 47 14.478 16.400 4.959 1.00 1.00 H new ATOM 0 HB2 HIS A 47 13.556 18.616 5.631 1.00 1.00 H new ATOM 0 HB3 HIS A 47 13.722 18.183 7.321 1.00 1.00 H new ATOM 0 HD1 HIS A 47 15.890 18.573 4.176 1.00 1.00 H new ATOM 0 HD2 HIS A 47 16.267 18.684 8.365 1.00 1.00 H new ATOM 0 HE1 HIS A 47 18.276 19.317 4.708 1.00 1.00 H new ATOM 259 N VAL A 48 16.025 15.247 6.516 1.00 1.00 N ATOM 260 CA VAL A 48 16.900 14.464 7.387 1.00 1.00 C ATOM 261 C VAL A 48 18.281 15.117 7.480 1.00 1.00 C ATOM 262 O VAL A 48 19.005 15.215 6.487 1.00 1.00 O ATOM 263 CB VAL A 48 17.039 13.032 6.830 1.00 1.00 C ATOM 264 CG1 VAL A 48 17.336 12.020 7.967 1.00 1.00 C ATOM 265 CG2 VAL A 48 15.747 12.640 6.103 1.00 1.00 C ATOM 0 H VAL A 48 16.376 15.374 5.567 1.00 1.00 H new ATOM 0 HA VAL A 48 16.462 14.426 8.384 1.00 1.00 H new ATOM 0 HB VAL A 48 17.875 13.009 6.131 1.00 1.00 H new ATOM 0 HG11 VAL A 48 17.429 11.018 7.547 1.00 1.00 H new ATOM 0 HG12 VAL A 48 18.267 12.294 8.464 1.00 1.00 H new ATOM 0 HG13 VAL A 48 16.521 12.036 8.690 1.00 1.00 H new ATOM 0 HG21 VAL A 48 15.844 11.628 5.709 1.00 1.00 H new ATOM 0 HG22 VAL A 48 14.911 12.679 6.801 1.00 1.00 H new ATOM 0 HG23 VAL A 48 15.567 13.334 5.282 1.00 1.00 H new ATOM 275 N VAL A 49 18.640 15.547 8.681 1.00 1.00 N ATOM 276 CA VAL A 49 19.934 16.179 8.898 1.00 1.00 C ATOM 277 C VAL A 49 21.067 15.253 8.463 1.00 1.00 C ATOM 278 O VAL A 49 21.681 14.577 9.286 1.00 1.00 O ATOM 279 CB VAL A 49 20.101 16.522 10.377 1.00 1.00 C ATOM 280 CG1 VAL A 49 21.333 17.407 10.568 1.00 1.00 C ATOM 281 CG2 VAL A 49 18.857 17.264 10.873 1.00 1.00 C ATOM 0 H VAL A 49 18.058 15.471 9.515 1.00 1.00 H new ATOM 0 HA VAL A 49 19.975 17.090 8.301 1.00 1.00 H new ATOM 0 HB VAL A 49 20.228 15.602 10.947 1.00 1.00 H new ATOM 0 HG11 VAL A 49 21.447 17.649 11.625 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.219 16.877 10.219 1.00 1.00 H new ATOM 0 HG13 VAL A 49 21.212 18.327 9.997 1.00 1.00 H new ATOM 0 HG21 VAL A 49 18.976 17.509 11.928 1.00 1.00 H new ATOM 0 HG22 VAL A 49 18.728 18.182 10.300 1.00 1.00 H new ATOM 0 HG23 VAL A 49 17.980 16.630 10.744 1.00 1.00 H new ATOM 291 N ARG A 50 21.340 15.247 7.164 1.00 1.00 N ATOM 292 CA ARG A 50 22.405 14.413 6.614 1.00 1.00 C ATOM 293 C ARG A 50 23.771 14.938 7.030 1.00 1.00 C ATOM 294 O ARG A 50 24.792 14.291 6.800 1.00 1.00 O ATOM 295 CB ARG A 50 22.310 14.379 5.089 1.00 1.00 C ATOM 296 CG ARG A 50 22.353 15.804 4.542 1.00 1.00 C ATOM 297 CD ARG A 50 22.229 15.769 3.019 1.00 1.00 C ATOM 298 NE ARG A 50 22.282 17.124 2.479 1.00 1.00 N ATOM 299 CZ ARG A 50 21.185 17.875 2.394 1.00 1.00 C ATOM 300 NH1 ARG A 50 20.038 17.402 2.801 1.00 1.00 N ATOM 301 NH2 ARG A 50 21.258 19.083 1.909 1.00 1.00 N ATOM 0 H ARG A 50 20.842 15.808 6.473 1.00 1.00 H new ATOM 0 HA ARG A 50 22.285 13.403 7.007 1.00 1.00 H new ATOM 0 HB2 ARG A 50 23.133 13.795 4.676 1.00 1.00 H new ATOM 0 HB3 ARG A 50 21.386 13.889 4.783 1.00 1.00 H new ATOM 0 HG2 ARG A 50 21.543 16.394 4.970 1.00 1.00 H new ATOM 0 HG3 ARG A 50 23.286 16.288 4.831 1.00 1.00 H new ATOM 0 HD2 ARG A 50 23.034 15.169 2.595 1.00 1.00 H new ATOM 0 HD3 ARG A 50 21.291 15.292 2.734 1.00 1.00 H new ATOM 0 HE ARG A 50 23.174 17.502 2.161 1.00 1.00 H new ATOM 0 HH11 ARG A 50 19.982 16.458 3.184 1.00 1.00 H new ATOM 0 HH12 ARG A 50 19.198 17.976 2.736 1.00 1.00 H new ATOM 0 HH21 ARG A 50 22.155 19.453 1.595 1.00 1.00 H new ATOM 0 HH22 ARG A 50 20.418 19.658 1.844 1.00 1.00 H new ATOM 315 N THR A 51 23.784 16.116 7.648 1.00 1.00 N ATOM 316 CA THR A 51 25.033 16.728 8.098 1.00 1.00 C ATOM 317 C THR A 51 25.324 16.351 9.545 1.00 1.00 C ATOM 318 O THR A 51 26.332 16.773 10.114 1.00 1.00 O ATOM 319 CB THR A 51 24.938 18.248 7.978 1.00 1.00 C ATOM 320 OG1 THR A 51 23.997 18.739 8.922 1.00 1.00 O ATOM 321 CG2 THR A 51 24.490 18.621 6.565 1.00 1.00 C ATOM 0 H THR A 51 22.948 16.665 7.849 1.00 1.00 H new ATOM 0 HA THR A 51 25.844 16.361 7.469 1.00 1.00 H new ATOM 0 HB THR A 51 25.914 18.691 8.176 1.00 1.00 H new ATOM 0 HG1 THR A 51 23.940 19.715 8.850 1.00 1.00 H new ATOM 0 HG21 THR A 51 24.422 19.705 6.479 1.00 1.00 H new ATOM 0 HG22 THR A 51 25.214 18.244 5.842 1.00 1.00 H new ATOM 0 HG23 THR A 51 23.514 18.179 6.364 1.00 1.00 H new ATOM 329 N GLY A 52 24.440 15.553 10.140 1.00 1.00 N ATOM 330 CA GLY A 52 24.616 15.126 11.528 1.00 1.00 C ATOM 331 C GLY A 52 24.056 13.726 11.747 1.00 1.00 C ATOM 332 O GLY A 52 24.702 12.877 12.359 1.00 1.00 O ATOM 0 H GLY A 52 23.601 15.191 9.688 1.00 1.00 H new ATOM 0 HA2 GLY A 52 25.675 15.142 11.785 1.00 1.00 H new ATOM 0 HA3 GLY A 52 24.116 15.829 12.194 1.00 1.00 H new ATOM 336 N ILE A 53 22.850 13.494 11.248 1.00 1.00 N ATOM 337 CA ILE A 53 22.214 12.194 11.401 1.00 1.00 C ATOM 338 C ILE A 53 23.013 11.118 10.661 1.00 1.00 C ATOM 339 O ILE A 53 22.594 9.971 10.581 1.00 1.00 O ATOM 340 CB ILE A 53 20.765 12.247 10.859 1.00 1.00 C ATOM 341 CG1 ILE A 53 19.874 11.278 11.654 1.00 1.00 C ATOM 342 CG2 ILE A 53 20.736 11.862 9.369 1.00 1.00 C ATOM 343 CD1 ILE A 53 18.462 11.271 11.080 1.00 1.00 C ATOM 0 H ILE A 53 22.297 14.183 10.738 1.00 1.00 H new ATOM 0 HA ILE A 53 22.188 11.940 12.461 1.00 1.00 H new ATOM 0 HB ILE A 53 20.389 13.264 10.971 1.00 1.00 H new ATOM 0 HG12 ILE A 53 20.294 10.273 11.618 1.00 1.00 H new ATOM 0 HG13 ILE A 53 19.847 11.574 12.703 1.00 1.00 H new ATOM 0 HG21 ILE A 53 19.710 11.904 9.002 1.00 1.00 H new ATOM 0 HG22 ILE A 53 21.353 12.558 8.801 1.00 1.00 H new ATOM 0 HG23 ILE A 53 21.124 10.851 9.247 1.00 1.00 H new ATOM 0 HD11 ILE A 53 17.841 10.581 11.651 1.00 1.00 H new ATOM 0 HD12 ILE A 53 18.040 12.274 11.140 1.00 1.00 H new ATOM 0 HD13 ILE A 53 18.494 10.952 10.038 1.00 1.00 H new ATOM 355 N GLY A 54 24.138 11.508 10.094 1.00 1.00 N ATOM 356 CA GLY A 54 24.959 10.573 9.336 1.00 1.00 C ATOM 357 C GLY A 54 25.622 9.557 10.256 1.00 1.00 C ATOM 358 O GLY A 54 26.833 9.348 10.198 1.00 1.00 O ATOM 0 H GLY A 54 24.506 12.458 10.141 1.00 1.00 H new ATOM 0 HA2 GLY A 54 24.342 10.055 8.601 1.00 1.00 H new ATOM 0 HA3 GLY A 54 25.722 11.120 8.783 1.00 1.00 H new ATOM 362 N ARG A 55 24.817 8.930 11.104 1.00 1.00 N ATOM 363 CA ARG A 55 25.324 7.932 12.044 1.00 1.00 C ATOM 364 C ARG A 55 25.742 6.669 11.298 1.00 1.00 C ATOM 365 O ARG A 55 26.794 6.091 11.576 1.00 1.00 O ATOM 366 CB ARG A 55 24.238 7.589 13.101 1.00 1.00 C ATOM 367 CG ARG A 55 22.885 8.127 12.637 1.00 1.00 C ATOM 368 CD ARG A 55 21.779 7.555 13.517 1.00 1.00 C ATOM 369 NE ARG A 55 21.591 6.140 13.232 1.00 1.00 N ATOM 370 CZ ARG A 55 20.799 5.390 13.985 1.00 1.00 C ATOM 371 NH1 ARG A 55 20.171 5.921 14.998 1.00 1.00 N ATOM 372 NH2 ARG A 55 20.649 4.123 13.714 1.00 1.00 N ATOM 0 H ARG A 55 23.812 9.093 11.162 1.00 1.00 H new ATOM 0 HA ARG A 55 26.195 8.345 12.554 1.00 1.00 H new ATOM 0 HB2 ARG A 55 24.182 6.510 13.243 1.00 1.00 H new ATOM 0 HB3 ARG A 55 24.503 8.024 14.064 1.00 1.00 H new ATOM 0 HG2 ARG A 55 22.878 9.216 12.688 1.00 1.00 H new ATOM 0 HG3 ARG A 55 22.712 7.856 11.596 1.00 1.00 H new ATOM 0 HD2 ARG A 55 22.034 7.691 14.568 1.00 1.00 H new ATOM 0 HD3 ARG A 55 20.849 8.095 13.342 1.00 1.00 H new ATOM 0 HE ARG A 55 22.077 5.719 12.440 1.00 1.00 H new ATOM 0 HH11 ARG A 55 20.290 6.912 15.209 1.00 1.00 H new ATOM 0 HH12 ARG A 55 19.561 5.345 15.579 1.00 1.00 H new ATOM 0 HH21 ARG A 55 21.141 3.709 12.922 1.00 1.00 H new ATOM 0 HH22 ARG A 55 20.039 3.546 14.294 1.00 1.00 H new ATOM 386 N ALA A 56 24.912 6.243 10.352 1.00 1.00 N ATOM 387 CA ALA A 56 25.210 5.039 9.582 1.00 1.00 C ATOM 388 C ALA A 56 24.149 4.795 8.516 1.00 1.00 C ATOM 389 O ALA A 56 24.334 5.137 7.349 1.00 1.00 O ATOM 390 CB ALA A 56 25.280 3.832 10.520 1.00 1.00 C ATOM 0 H ALA A 56 24.038 6.706 10.101 1.00 1.00 H new ATOM 0 HA ALA A 56 26.171 5.179 9.087 1.00 1.00 H new ATOM 0 HB1 ALA A 56 25.503 2.935 9.942 1.00 1.00 H new ATOM 0 HB2 ALA A 56 26.064 3.991 11.260 1.00 1.00 H new ATOM 0 HB3 ALA A 56 24.323 3.709 11.027 1.00 1.00 H new ATOM 396 N ARG A 57 23.036 4.196 8.930 1.00 1.00 N ATOM 397 CA ARG A 57 21.928 3.899 8.021 1.00 1.00 C ATOM 398 C ARG A 57 20.875 4.995 8.072 1.00 1.00 C ATOM 399 O ARG A 57 20.091 5.138 7.165 1.00 1.00 O ATOM 400 CB ARG A 57 21.291 2.563 8.393 1.00 1.00 C ATOM 401 CG ARG A 57 20.821 2.610 9.851 1.00 1.00 C ATOM 402 CD ARG A 57 20.086 1.313 10.191 1.00 1.00 C ATOM 403 NE ARG A 57 18.832 1.242 9.449 1.00 1.00 N ATOM 404 CZ ARG A 57 17.791 2.000 9.786 1.00 1.00 C ATOM 405 NH1 ARG A 57 17.882 2.824 10.794 1.00 1.00 N ATOM 406 NH2 ARG A 57 16.678 1.919 9.108 1.00 1.00 N ATOM 0 H ARG A 57 22.875 3.905 9.894 1.00 1.00 H new ATOM 0 HA ARG A 57 22.326 3.845 7.008 1.00 1.00 H new ATOM 0 HB2 ARG A 57 20.448 2.354 7.734 1.00 1.00 H new ATOM 0 HB3 ARG A 57 22.010 1.755 8.257 1.00 1.00 H new ATOM 0 HG2 ARG A 57 21.675 2.742 10.516 1.00 1.00 H new ATOM 0 HG3 ARG A 57 20.163 3.465 10.005 1.00 1.00 H new ATOM 0 HD2 ARG A 57 20.712 0.455 9.946 1.00 1.00 H new ATOM 0 HD3 ARG A 57 19.888 1.267 11.262 1.00 1.00 H new ATOM 0 HE ARG A 57 18.752 0.601 8.659 1.00 1.00 H new ATOM 0 HH11 ARG A 57 18.751 2.887 11.324 1.00 1.00 H new ATOM 0 HH12 ARG A 57 17.084 3.405 11.052 1.00 1.00 H new ATOM 0 HH21 ARG A 57 16.606 1.275 8.320 1.00 1.00 H new ATOM 0 HH22 ARG A 57 15.880 2.500 9.366 1.00 1.00 H new ATOM 420 N ALA A 58 20.850 5.762 9.136 1.00 1.00 N ATOM 421 CA ALA A 58 19.858 6.822 9.243 1.00 1.00 C ATOM 422 C ALA A 58 19.811 7.663 7.962 1.00 1.00 C ATOM 423 O ALA A 58 18.751 8.100 7.536 1.00 1.00 O ATOM 424 CB ALA A 58 20.207 7.716 10.422 1.00 1.00 C ATOM 0 H ALA A 58 21.488 5.681 9.928 1.00 1.00 H new ATOM 0 HA ALA A 58 18.878 6.368 9.392 1.00 1.00 H new ATOM 0 HB1 ALA A 58 19.467 8.512 10.507 1.00 1.00 H new ATOM 0 HB2 ALA A 58 20.211 7.125 11.338 1.00 1.00 H new ATOM 0 HB3 ALA A 58 21.194 8.153 10.268 1.00 1.00 H new ATOM 430 N GLU A 59 20.959 7.890 7.355 1.00 1.00 N ATOM 431 CA GLU A 59 21.007 8.683 6.132 1.00 1.00 C ATOM 432 C GLU A 59 20.009 8.158 5.107 1.00 1.00 C ATOM 433 O GLU A 59 19.547 8.899 4.240 1.00 1.00 O ATOM 434 CB GLU A 59 22.418 8.644 5.551 1.00 1.00 C ATOM 435 CG GLU A 59 22.926 7.200 5.542 1.00 1.00 C ATOM 436 CD GLU A 59 24.339 7.148 4.974 1.00 1.00 C ATOM 437 OE1 GLU A 59 25.128 8.010 5.325 1.00 1.00 O ATOM 438 OE2 GLU A 59 24.611 6.249 4.197 1.00 1.00 O ATOM 0 H GLU A 59 21.862 7.544 7.679 1.00 1.00 H new ATOM 0 HA GLU A 59 20.741 9.712 6.374 1.00 1.00 H new ATOM 0 HB2 GLU A 59 22.417 9.047 4.538 1.00 1.00 H new ATOM 0 HB3 GLU A 59 23.084 9.272 6.143 1.00 1.00 H new ATOM 0 HG2 GLU A 59 22.917 6.796 6.554 1.00 1.00 H new ATOM 0 HG3 GLU A 59 22.262 6.576 4.944 1.00 1.00 H new ATOM 445 N LEU A 60 19.691 6.879 5.207 1.00 1.00 N ATOM 446 CA LEU A 60 18.751 6.267 4.272 1.00 1.00 C ATOM 447 C LEU A 60 17.369 6.893 4.401 1.00 1.00 C ATOM 448 O LEU A 60 16.556 6.831 3.486 1.00 1.00 O ATOM 449 CB LEU A 60 18.669 4.739 4.501 1.00 1.00 C ATOM 450 CG LEU A 60 19.158 3.997 3.268 1.00 1.00 C ATOM 451 CD1 LEU A 60 18.271 4.341 2.046 1.00 1.00 C ATOM 452 CD2 LEU A 60 20.651 4.349 2.999 1.00 1.00 C ATOM 0 H LEU A 60 20.062 6.247 5.916 1.00 1.00 H new ATOM 0 HA LEU A 60 19.118 6.449 3.262 1.00 1.00 H new ATOM 0 HB2 LEU A 60 19.272 4.460 5.365 1.00 1.00 H new ATOM 0 HB3 LEU A 60 17.641 4.452 4.724 1.00 1.00 H new ATOM 0 HG LEU A 60 19.084 2.923 3.441 1.00 1.00 H new ATOM 0 HD11 LEU A 60 18.633 3.802 1.170 1.00 1.00 H new ATOM 0 HD12 LEU A 60 17.241 4.050 2.251 1.00 1.00 H new ATOM 0 HD13 LEU A 60 18.314 5.413 1.856 1.00 1.00 H new ATOM 0 HD21 LEU A 60 20.997 3.815 2.114 1.00 1.00 H new ATOM 0 HD22 LEU A 60 20.748 5.422 2.836 1.00 1.00 H new ATOM 0 HD23 LEU A 60 21.254 4.057 3.858 1.00 1.00 H new ATOM 464 N PHE A 61 17.116 7.472 5.546 1.00 1.00 N ATOM 465 CA PHE A 61 15.822 8.083 5.805 1.00 1.00 C ATOM 466 C PHE A 61 15.453 9.065 4.700 1.00 1.00 C ATOM 467 O PHE A 61 14.336 9.038 4.193 1.00 1.00 O ATOM 468 CB PHE A 61 15.826 8.810 7.167 1.00 1.00 C ATOM 469 CG PHE A 61 15.642 7.819 8.303 1.00 1.00 C ATOM 470 CD1 PHE A 61 14.526 6.971 8.326 1.00 1.00 C ATOM 471 CD2 PHE A 61 16.589 7.745 9.339 1.00 1.00 C ATOM 472 CE1 PHE A 61 14.362 6.054 9.363 1.00 1.00 C ATOM 473 CE2 PHE A 61 16.418 6.826 10.377 1.00 1.00 C ATOM 474 CZ PHE A 61 15.306 5.979 10.387 1.00 1.00 C ATOM 0 H PHE A 61 17.781 7.537 6.317 1.00 1.00 H new ATOM 0 HA PHE A 61 15.078 7.287 5.829 1.00 1.00 H new ATOM 0 HB2 PHE A 61 16.765 9.348 7.295 1.00 1.00 H new ATOM 0 HB3 PHE A 61 15.028 9.552 7.192 1.00 1.00 H new ATOM 0 HD1 PHE A 61 13.790 7.028 7.537 1.00 1.00 H new ATOM 0 HD2 PHE A 61 17.449 8.399 9.333 1.00 1.00 H new ATOM 0 HE1 PHE A 61 13.502 5.400 9.374 1.00 1.00 H new ATOM 0 HE2 PHE A 61 17.146 6.770 11.173 1.00 1.00 H new ATOM 0 HZ PHE A 61 15.178 5.266 11.188 1.00 1.00 H new ATOM 484 N GLU A 62 16.383 9.915 4.322 1.00 1.00 N ATOM 485 CA GLU A 62 16.133 10.884 3.272 1.00 1.00 C ATOM 486 C GLU A 62 15.913 10.183 1.934 1.00 1.00 C ATOM 487 O GLU A 62 15.114 10.628 1.114 1.00 1.00 O ATOM 488 CB GLU A 62 17.329 11.849 3.191 1.00 1.00 C ATOM 489 CG GLU A 62 18.421 11.292 2.268 1.00 1.00 C ATOM 490 CD GLU A 62 19.727 12.047 2.466 1.00 1.00 C ATOM 491 OE1 GLU A 62 20.357 11.840 3.489 1.00 1.00 O ATOM 492 OE2 GLU A 62 20.082 12.811 1.585 1.00 1.00 O ATOM 0 H GLU A 62 17.319 9.956 4.725 1.00 1.00 H new ATOM 0 HA GLU A 62 15.228 11.446 3.503 1.00 1.00 H new ATOM 0 HB2 GLU A 62 16.995 12.818 2.822 1.00 1.00 H new ATOM 0 HB3 GLU A 62 17.738 12.012 4.188 1.00 1.00 H new ATOM 0 HG2 GLU A 62 18.573 10.232 2.474 1.00 1.00 H new ATOM 0 HG3 GLU A 62 18.102 11.373 1.229 1.00 1.00 H new ATOM 499 N LYS A 63 16.639 9.094 1.713 1.00 1.00 N ATOM 500 CA LYS A 63 16.527 8.368 0.458 1.00 1.00 C ATOM 501 C LYS A 63 15.118 7.819 0.293 1.00 1.00 C ATOM 502 O LYS A 63 14.495 7.981 -0.758 1.00 1.00 O ATOM 503 CB LYS A 63 17.549 7.207 0.446 1.00 1.00 C ATOM 504 CG LYS A 63 18.808 7.572 -0.354 1.00 1.00 C ATOM 505 CD LYS A 63 19.584 8.669 0.373 1.00 1.00 C ATOM 506 CE LYS A 63 21.001 8.748 -0.181 1.00 1.00 C ATOM 507 NZ LYS A 63 20.950 9.166 -1.610 1.00 1.00 N ATOM 0 H LYS A 63 17.303 8.699 2.379 1.00 1.00 H new ATOM 0 HA LYS A 63 16.736 9.046 -0.369 1.00 1.00 H new ATOM 0 HB2 LYS A 63 17.827 6.956 1.469 1.00 1.00 H new ATOM 0 HB3 LYS A 63 17.087 6.319 0.014 1.00 1.00 H new ATOM 0 HG2 LYS A 63 19.438 6.691 -0.480 1.00 1.00 H new ATOM 0 HG3 LYS A 63 18.530 7.911 -1.352 1.00 1.00 H new ATOM 0 HD2 LYS A 63 19.080 9.628 0.249 1.00 1.00 H new ATOM 0 HD3 LYS A 63 19.612 8.460 1.442 1.00 1.00 H new ATOM 0 HE2 LYS A 63 21.590 9.460 0.397 1.00 1.00 H new ATOM 0 HE3 LYS A 63 21.493 7.780 -0.091 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 21.911 9.385 -1.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 20.552 8.395 -2.183 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 20.351 10.011 -1.703 1.00 1.00 H new ATOM 521 N GLN A 64 14.624 7.171 1.335 1.00 1.00 N ATOM 522 CA GLN A 64 13.296 6.597 1.285 1.00 1.00 C ATOM 523 C GLN A 64 12.273 7.693 1.041 1.00 1.00 C ATOM 524 O GLN A 64 11.304 7.494 0.315 1.00 1.00 O ATOM 525 CB GLN A 64 12.981 5.867 2.589 1.00 1.00 C ATOM 526 CG GLN A 64 14.023 4.767 2.833 1.00 1.00 C ATOM 527 CD GLN A 64 13.571 3.867 3.972 1.00 1.00 C ATOM 528 OE1 GLN A 64 12.481 3.299 3.919 1.00 1.00 O ATOM 529 NE2 GLN A 64 14.346 3.707 5.008 1.00 1.00 N ATOM 0 H GLN A 64 15.119 7.032 2.216 1.00 1.00 H new ATOM 0 HA GLN A 64 13.254 5.878 0.467 1.00 1.00 H new ATOM 0 HB2 GLN A 64 12.981 6.572 3.420 1.00 1.00 H new ATOM 0 HB3 GLN A 64 11.983 5.431 2.541 1.00 1.00 H new ATOM 0 HG2 GLN A 64 14.162 4.178 1.926 1.00 1.00 H new ATOM 0 HG3 GLN A 64 14.987 5.215 3.073 1.00 1.00 H new ATOM 0 HE21 GLN A 64 15.249 4.180 5.047 1.00 1.00 H new ATOM 0 HE22 GLN A 64 14.050 3.109 5.779 1.00 1.00 H new ATOM 538 N ILE A 65 12.495 8.854 1.644 1.00 1.00 N ATOM 539 CA ILE A 65 11.573 9.969 1.469 1.00 1.00 C ATOM 540 C ILE A 65 11.517 10.377 0.001 1.00 1.00 C ATOM 541 O ILE A 65 10.435 10.555 -0.559 1.00 1.00 O ATOM 542 CB ILE A 65 12.055 11.165 2.315 1.00 1.00 C ATOM 543 CG1 ILE A 65 11.922 10.826 3.818 1.00 1.00 C ATOM 544 CG2 ILE A 65 11.229 12.451 2.010 1.00 1.00 C ATOM 545 CD1 ILE A 65 12.850 11.715 4.672 1.00 1.00 C ATOM 0 H ILE A 65 13.293 9.047 2.250 1.00 1.00 H new ATOM 0 HA ILE A 65 10.577 9.664 1.791 1.00 1.00 H new ATOM 0 HB ILE A 65 13.097 11.355 2.059 1.00 1.00 H new ATOM 0 HG12 ILE A 65 10.888 10.964 4.135 1.00 1.00 H new ATOM 0 HG13 ILE A 65 12.168 9.777 3.980 1.00 1.00 H new ATOM 0 HG21 ILE A 65 11.596 13.273 2.624 1.00 1.00 H new ATOM 0 HG22 ILE A 65 11.334 12.710 0.956 1.00 1.00 H new ATOM 0 HG23 ILE A 65 10.178 12.271 2.236 1.00 1.00 H new ATOM 0 HD11 ILE A 65 12.736 11.455 5.724 1.00 1.00 H new ATOM 0 HD12 ILE A 65 13.885 11.557 4.369 1.00 1.00 H new ATOM 0 HD13 ILE A 65 12.586 12.762 4.526 1.00 1.00 H new ATOM 557 N VAL A 66 12.679 10.538 -0.622 1.00 1.00 N ATOM 558 CA VAL A 66 12.720 10.944 -2.011 1.00 1.00 C ATOM 559 C VAL A 66 12.061 9.891 -2.888 1.00 1.00 C ATOM 560 O VAL A 66 11.247 10.207 -3.756 1.00 1.00 O ATOM 561 CB VAL A 66 14.171 11.156 -2.437 1.00 1.00 C ATOM 562 CG1 VAL A 66 14.215 11.498 -3.920 1.00 1.00 C ATOM 563 CG2 VAL A 66 14.785 12.304 -1.630 1.00 1.00 C ATOM 0 H VAL A 66 13.591 10.394 -0.189 1.00 1.00 H new ATOM 0 HA VAL A 66 12.172 11.879 -2.127 1.00 1.00 H new ATOM 0 HB VAL A 66 14.739 10.244 -2.253 1.00 1.00 H new ATOM 0 HG11 VAL A 66 15.250 11.650 -4.228 1.00 1.00 H new ATOM 0 HG12 VAL A 66 13.782 10.680 -4.495 1.00 1.00 H new ATOM 0 HG13 VAL A 66 13.645 12.410 -4.100 1.00 1.00 H new ATOM 0 HG21 VAL A 66 15.820 12.452 -1.937 1.00 1.00 H new ATOM 0 HG22 VAL A 66 14.219 13.218 -1.810 1.00 1.00 H new ATOM 0 HG23 VAL A 66 14.753 12.060 -0.568 1.00 1.00 H new ATOM 573 N GLN A 67 12.418 8.635 -2.650 1.00 1.00 N ATOM 574 CA GLN A 67 11.857 7.531 -3.418 1.00 1.00 C ATOM 575 C GLN A 67 10.372 7.376 -3.111 1.00 1.00 C ATOM 576 O GLN A 67 9.581 7.024 -3.986 1.00 1.00 O ATOM 577 CB GLN A 67 12.600 6.228 -3.087 1.00 1.00 C ATOM 578 CG GLN A 67 13.923 6.176 -3.856 1.00 1.00 C ATOM 579 CD GLN A 67 14.826 7.322 -3.416 1.00 1.00 C ATOM 580 OE1 GLN A 67 14.634 8.462 -3.839 1.00 1.00 O ATOM 581 NE2 GLN A 67 15.802 7.088 -2.583 1.00 1.00 N ATOM 0 H GLN A 67 13.090 8.356 -1.935 1.00 1.00 H new ATOM 0 HA GLN A 67 11.976 7.747 -4.480 1.00 1.00 H new ATOM 0 HB2 GLN A 67 12.789 6.169 -2.015 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.982 5.369 -3.350 1.00 1.00 H new ATOM 0 HG2 GLN A 67 14.419 5.222 -3.678 1.00 1.00 H new ATOM 0 HG3 GLN A 67 13.733 6.242 -4.927 1.00 1.00 H new ATOM 0 HE21 GLN A 67 15.959 6.143 -2.234 1.00 1.00 H new ATOM 0 HE22 GLN A 67 16.408 7.850 -2.281 1.00 1.00 H new ATOM 590 N HIS A 68 10.000 7.637 -1.862 1.00 1.00 N ATOM 591 CA HIS A 68 8.606 7.517 -1.445 1.00 1.00 C ATOM 592 C HIS A 68 7.863 8.822 -1.685 1.00 1.00 C ATOM 593 O HIS A 68 6.672 8.933 -1.395 1.00 1.00 O ATOM 594 CB HIS A 68 8.533 7.160 0.038 1.00 1.00 C ATOM 595 CG HIS A 68 9.187 5.823 0.262 1.00 1.00 C ATOM 596 ND1 HIS A 68 9.472 5.343 1.531 1.00 1.00 N ATOM 597 CD2 HIS A 68 9.617 4.853 -0.610 1.00 1.00 C ATOM 598 CE1 HIS A 68 10.049 4.135 1.387 1.00 1.00 C ATOM 599 NE2 HIS A 68 10.161 3.789 0.104 1.00 1.00 N ATOM 0 H HIS A 68 10.640 7.931 -1.124 1.00 1.00 H new ATOM 0 HA HIS A 68 8.139 6.728 -2.034 1.00 1.00 H new ATOM 0 HB2 HIS A 68 9.031 7.925 0.633 1.00 1.00 H new ATOM 0 HB3 HIS A 68 7.494 7.128 0.365 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.544 4.907 -1.686 1.00 1.00 H new ATOM 0 HE1 HIS A 68 10.381 3.521 2.211 1.00 1.00 H new ATOM 0 HE2 HIS A 68 10.560 2.929 -0.273 1.00 1.00 H new ATOM 608 N GLY A 69 8.575 9.812 -2.218 1.00 1.00 N ATOM 609 CA GLY A 69 7.980 11.116 -2.497 1.00 1.00 C ATOM 610 C GLY A 69 8.306 12.106 -1.386 1.00 1.00 C ATOM 611 O GLY A 69 8.425 11.728 -0.222 1.00 1.00 O ATOM 0 H GLY A 69 9.562 9.736 -2.465 1.00 1.00 H new ATOM 0 HA2 GLY A 69 8.352 11.495 -3.449 1.00 1.00 H new ATOM 0 HA3 GLY A 69 6.899 11.015 -2.595 1.00 1.00 H new ATOM 615 N GLY A 70 8.449 13.379 -1.751 1.00 1.00 N ATOM 616 CA GLY A 70 8.765 14.422 -0.773 1.00 1.00 C ATOM 617 C GLY A 70 10.216 14.852 -0.901 1.00 1.00 C ATOM 618 O GLY A 70 10.974 14.809 0.069 1.00 1.00 O ATOM 0 H GLY A 70 8.352 13.713 -2.710 1.00 1.00 H new ATOM 0 HA2 GLY A 70 8.111 15.281 -0.925 1.00 1.00 H new ATOM 0 HA3 GLY A 70 8.577 14.052 0.235 1.00 1.00 H new ATOM 622 N GLN A 71 10.604 15.267 -2.107 1.00 1.00 N ATOM 623 CA GLN A 71 11.977 15.705 -2.351 1.00 1.00 C ATOM 624 C GLN A 71 12.496 16.530 -1.177 1.00 1.00 C ATOM 625 O GLN A 71 11.740 17.268 -0.545 1.00 1.00 O ATOM 626 CB GLN A 71 12.039 16.542 -3.631 1.00 1.00 C ATOM 627 CG GLN A 71 11.788 15.644 -4.844 1.00 1.00 C ATOM 628 CD GLN A 71 11.787 16.480 -6.119 1.00 1.00 C ATOM 629 OE1 GLN A 71 12.036 17.685 -6.072 1.00 1.00 O ATOM 630 NE2 GLN A 71 11.525 15.910 -7.263 1.00 1.00 N ATOM 0 H GLN A 71 9.993 15.309 -2.923 1.00 1.00 H new ATOM 0 HA GLN A 71 12.604 14.821 -2.463 1.00 1.00 H new ATOM 0 HB2 GLN A 71 11.294 17.337 -3.594 1.00 1.00 H new ATOM 0 HB3 GLN A 71 13.014 17.022 -3.717 1.00 1.00 H new ATOM 0 HG2 GLN A 71 12.559 14.875 -4.904 1.00 1.00 H new ATOM 0 HG3 GLN A 71 10.833 15.130 -4.735 1.00 1.00 H new ATOM 0 HE21 GLN A 71 11.319 14.912 -7.300 1.00 1.00 H new ATOM 0 HE22 GLN A 71 11.526 16.463 -8.120 1.00 1.00 H new ATOM 639 N LEU A 72 13.780 16.395 -0.888 1.00 1.00 N ATOM 640 CA LEU A 72 14.377 17.125 0.216 1.00 1.00 C ATOM 641 C LEU A 72 14.557 18.586 -0.156 1.00 1.00 C ATOM 642 O LEU A 72 14.935 18.907 -1.283 1.00 1.00 O ATOM 643 CB LEU A 72 15.737 16.515 0.558 1.00 1.00 C ATOM 644 CG LEU A 72 15.572 15.009 0.890 1.00 1.00 C ATOM 645 CD1 LEU A 72 16.865 14.246 0.567 1.00 1.00 C ATOM 646 CD2 LEU A 72 15.247 14.839 2.384 1.00 1.00 C ATOM 0 H LEU A 72 14.424 15.791 -1.399 1.00 1.00 H new ATOM 0 HA LEU A 72 13.717 17.058 1.081 1.00 1.00 H new ATOM 0 HB2 LEU A 72 16.422 16.638 -0.281 1.00 1.00 H new ATOM 0 HB3 LEU A 72 16.176 17.038 1.408 1.00 1.00 H new ATOM 0 HG LEU A 72 14.758 14.607 0.286 1.00 1.00 H new ATOM 0 HD11 LEU A 72 16.734 13.190 0.805 1.00 1.00 H new ATOM 0 HD12 LEU A 72 17.095 14.353 -0.493 1.00 1.00 H new ATOM 0 HD13 LEU A 72 17.685 14.652 1.159 1.00 1.00 H new ATOM 0 HD21 LEU A 72 15.132 13.780 2.613 1.00 1.00 H new ATOM 0 HD22 LEU A 72 16.058 15.254 2.982 1.00 1.00 H new ATOM 0 HD23 LEU A 72 14.320 15.363 2.617 1.00 1.00 H new ATOM 658 N CYS A 73 14.296 19.471 0.800 1.00 1.00 N ATOM 659 CA CYS A 73 14.444 20.900 0.561 1.00 1.00 C ATOM 660 C CYS A 73 14.938 21.602 1.832 1.00 1.00 C ATOM 661 O CYS A 73 14.142 22.094 2.633 1.00 1.00 O ATOM 662 CB CYS A 73 13.093 21.484 0.129 1.00 1.00 C ATOM 663 SG CYS A 73 12.202 20.255 -0.854 1.00 1.00 S ATOM 0 H CYS A 73 13.984 19.226 1.740 1.00 1.00 H new ATOM 0 HA CYS A 73 15.178 21.059 -0.229 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.506 21.762 1.005 1.00 1.00 H new ATOM 0 HB3 CYS A 73 13.245 22.392 -0.454 1.00 1.00 H new ATOM 0 HG CYS A 73 12.197 19.117 -0.225 1.00 1.00 H new ATOM 669 N PRO A 74 16.228 21.670 2.018 1.00 1.00 N ATOM 670 CA PRO A 74 16.840 22.346 3.199 1.00 1.00 C ATOM 671 C PRO A 74 16.444 23.821 3.279 1.00 1.00 C ATOM 672 O PRO A 74 15.367 24.214 2.830 1.00 1.00 O ATOM 673 CB PRO A 74 18.359 22.187 2.974 1.00 1.00 C ATOM 674 CG PRO A 74 18.496 21.056 2.006 1.00 1.00 C ATOM 675 CD PRO A 74 17.250 21.094 1.134 1.00 1.00 C ATOM 0 HA PRO A 74 16.505 21.911 4.141 1.00 1.00 H new ATOM 0 HB2 PRO A 74 18.796 23.102 2.574 1.00 1.00 H new ATOM 0 HB3 PRO A 74 18.875 21.969 3.909 1.00 1.00 H new ATOM 0 HG2 PRO A 74 19.397 21.166 1.403 1.00 1.00 H new ATOM 0 HG3 PRO A 74 18.577 20.103 2.529 1.00 1.00 H new ATOM 0 HD2 PRO A 74 17.402 21.705 0.244 1.00 1.00 H new ATOM 0 HD3 PRO A 74 16.969 20.098 0.792 1.00 1.00 H new ATOM 683 N ALA A 75 17.332 24.628 3.850 1.00 1.00 N ATOM 684 CA ALA A 75 17.082 26.057 3.980 1.00 1.00 C ATOM 685 C ALA A 75 16.976 26.707 2.604 1.00 1.00 C ATOM 686 O ALA A 75 16.328 27.741 2.445 1.00 1.00 O ATOM 687 CB ALA A 75 18.213 26.719 4.768 1.00 1.00 C ATOM 0 H ALA A 75 18.227 24.318 4.228 1.00 1.00 H new ATOM 0 HA ALA A 75 16.141 26.194 4.512 1.00 1.00 H new ATOM 0 HB1 ALA A 75 18.016 27.787 4.859 1.00 1.00 H new ATOM 0 HB2 ALA A 75 18.273 26.275 5.762 1.00 1.00 H new ATOM 0 HB3 ALA A 75 19.158 26.568 4.246 1.00 1.00 H new ATOM 693 N GLN A 76 17.623 26.097 1.614 1.00 1.00 N ATOM 694 CA GLN A 76 17.598 26.632 0.258 1.00 1.00 C ATOM 695 C GLN A 76 16.184 26.604 -0.300 1.00 1.00 C ATOM 696 O GLN A 76 15.862 27.329 -1.242 1.00 1.00 O ATOM 697 CB GLN A 76 18.518 25.809 -0.645 1.00 1.00 C ATOM 698 CG GLN A 76 18.111 24.335 -0.580 1.00 1.00 C ATOM 699 CD GLN A 76 19.030 23.501 -1.468 1.00 1.00 C ATOM 700 OE1 GLN A 76 19.413 23.940 -2.553 1.00 1.00 O ATOM 701 NE2 GLN A 76 19.416 22.321 -1.067 1.00 1.00 N ATOM 0 H GLN A 76 18.166 25.240 1.724 1.00 1.00 H new ATOM 0 HA GLN A 76 17.946 27.664 0.289 1.00 1.00 H new ATOM 0 HB2 GLN A 76 18.455 26.170 -1.672 1.00 1.00 H new ATOM 0 HB3 GLN A 76 19.555 25.925 -0.329 1.00 1.00 H new ATOM 0 HG2 GLN A 76 18.165 23.979 0.449 1.00 1.00 H new ATOM 0 HG3 GLN A 76 17.076 24.220 -0.903 1.00 1.00 H new ATOM 0 HE21 GLN A 76 19.098 21.959 -0.168 1.00 1.00 H new ATOM 0 HE22 GLN A 76 20.036 21.761 -1.652 1.00 1.00 H new ATOM 710 N GLY A 77 15.335 25.764 0.286 1.00 1.00 N ATOM 711 CA GLY A 77 13.946 25.648 -0.157 1.00 1.00 C ATOM 712 C GLY A 77 13.005 26.356 0.812 1.00 1.00 C ATOM 713 O GLY A 77 13.443 27.127 1.666 1.00 1.00 O ATOM 0 H GLY A 77 15.582 25.155 1.066 1.00 1.00 H new ATOM 0 HA2 GLY A 77 13.840 26.079 -1.153 1.00 1.00 H new ATOM 0 HA3 GLY A 77 13.671 24.596 -0.234 1.00 1.00 H new ATOM 717 N PRO A 78 11.728 26.107 0.688 1.00 1.00 N ATOM 718 CA PRO A 78 10.694 26.734 1.566 1.00 1.00 C ATOM 719 C PRO A 78 10.994 26.522 3.046 1.00 1.00 C ATOM 720 O PRO A 78 10.868 27.441 3.855 1.00 1.00 O ATOM 721 CB PRO A 78 9.389 26.024 1.159 1.00 1.00 C ATOM 722 CG PRO A 78 9.636 25.524 -0.230 1.00 1.00 C ATOM 723 CD PRO A 78 11.129 25.202 -0.304 1.00 1.00 C ATOM 0 HA PRO A 78 10.650 27.816 1.440 1.00 1.00 H new ATOM 0 HB2 PRO A 78 9.158 25.204 1.838 1.00 1.00 H new ATOM 0 HB3 PRO A 78 8.542 26.709 1.187 1.00 1.00 H new ATOM 0 HG2 PRO A 78 9.035 24.639 -0.438 1.00 1.00 H new ATOM 0 HG3 PRO A 78 9.362 26.276 -0.970 1.00 1.00 H new ATOM 0 HD2 PRO A 78 11.326 24.157 -0.064 1.00 1.00 H new ATOM 0 HD3 PRO A 78 11.529 25.381 -1.302 1.00 1.00 H new ATOM 731 N GLY A 79 11.392 25.302 3.395 1.00 1.00 N ATOM 732 CA GLY A 79 11.705 24.971 4.781 1.00 1.00 C ATOM 733 C GLY A 79 11.015 23.682 5.200 1.00 1.00 C ATOM 734 O GLY A 79 10.671 23.512 6.369 1.00 1.00 O ATOM 0 H GLY A 79 11.505 24.529 2.739 1.00 1.00 H new ATOM 0 HA2 GLY A 79 12.783 24.866 4.899 1.00 1.00 H new ATOM 0 HA3 GLY A 79 11.390 25.785 5.434 1.00 1.00 H new ATOM 738 N VAL A 80 10.825 22.771 4.243 1.00 1.00 N ATOM 739 CA VAL A 80 10.187 21.488 4.524 1.00 1.00 C ATOM 740 C VAL A 80 9.062 21.651 5.537 1.00 1.00 C ATOM 741 O VAL A 80 8.530 22.748 5.717 1.00 1.00 O ATOM 742 CB VAL A 80 11.242 20.491 5.056 1.00 1.00 C ATOM 743 CG1 VAL A 80 12.375 20.298 4.001 1.00 1.00 C ATOM 744 CG2 VAL A 80 11.846 21.006 6.387 1.00 1.00 C ATOM 0 H VAL A 80 11.104 22.900 3.270 1.00 1.00 H new ATOM 0 HA VAL A 80 9.757 21.102 3.600 1.00 1.00 H new ATOM 0 HB VAL A 80 10.755 19.533 5.237 1.00 1.00 H new ATOM 0 HG11 VAL A 80 13.113 19.594 4.385 1.00 1.00 H new ATOM 0 HG12 VAL A 80 11.949 19.909 3.076 1.00 1.00 H new ATOM 0 HG13 VAL A 80 12.856 21.256 3.804 1.00 1.00 H new ATOM 0 HG21 VAL A 80 12.587 20.294 6.750 1.00 1.00 H new ATOM 0 HG22 VAL A 80 12.322 21.972 6.221 1.00 1.00 H new ATOM 0 HG23 VAL A 80 11.054 21.115 7.128 1.00 1.00 H new ATOM 754 N THR A 81 8.710 20.562 6.205 1.00 1.00 N ATOM 755 CA THR A 81 7.655 20.595 7.214 1.00 1.00 C ATOM 756 C THR A 81 8.008 19.694 8.393 1.00 1.00 C ATOM 757 O THR A 81 7.443 19.831 9.477 1.00 1.00 O ATOM 758 CB THR A 81 6.341 20.138 6.595 1.00 1.00 C ATOM 759 OG1 THR A 81 5.374 19.975 7.622 1.00 1.00 O ATOM 760 CG2 THR A 81 6.543 18.807 5.866 1.00 1.00 C ATOM 0 H THR A 81 9.137 19.646 6.069 1.00 1.00 H new ATOM 0 HA THR A 81 7.553 21.618 7.577 1.00 1.00 H new ATOM 0 HB THR A 81 5.998 20.886 5.880 1.00 1.00 H new ATOM 0 HG1 THR A 81 4.525 19.682 7.229 1.00 1.00 H new ATOM 0 HG21 THR A 81 5.599 18.486 5.426 1.00 1.00 H new ATOM 0 HG22 THR A 81 7.286 18.932 5.079 1.00 1.00 H new ATOM 0 HG23 THR A 81 6.888 18.053 6.574 1.00 1.00 H new ATOM 768 N HIS A 82 8.948 18.772 8.177 1.00 1.00 N ATOM 769 CA HIS A 82 9.378 17.846 9.233 1.00 1.00 C ATOM 770 C HIS A 82 10.897 17.811 9.334 1.00 1.00 C ATOM 771 O HIS A 82 11.603 18.199 8.405 1.00 1.00 O ATOM 772 CB HIS A 82 8.846 16.439 8.957 1.00 1.00 C ATOM 773 CG HIS A 82 7.363 16.424 9.142 1.00 1.00 C ATOM 774 ND1 HIS A 82 6.482 16.545 8.083 1.00 1.00 N ATOM 775 CD2 HIS A 82 6.589 16.293 10.265 1.00 1.00 C ATOM 776 CE1 HIS A 82 5.238 16.483 8.587 1.00 1.00 C ATOM 777 NE2 HIS A 82 5.246 16.330 9.912 1.00 1.00 N ATOM 0 H HIS A 82 9.426 18.645 7.285 1.00 1.00 H new ATOM 0 HA HIS A 82 8.972 18.201 10.180 1.00 1.00 H new ATOM 0 HB2 HIS A 82 9.100 16.135 7.942 1.00 1.00 H new ATOM 0 HB3 HIS A 82 9.315 15.722 9.631 1.00 1.00 H new ATOM 0 HD1 HIS A 82 6.731 16.660 7.100 1.00 1.00 H new ATOM 0 HD2 HIS A 82 6.965 16.178 11.271 1.00 1.00 H new ATOM 0 HE1 HIS A 82 4.340 16.549 7.991 1.00 1.00 H new ATOM 786 N ILE A 83 11.390 17.352 10.486 1.00 1.00 N ATOM 787 CA ILE A 83 12.842 17.278 10.715 1.00 1.00 C ATOM 788 C ILE A 83 13.229 15.988 11.409 1.00 1.00 C ATOM 789 O ILE A 83 12.898 15.773 12.573 1.00 1.00 O ATOM 790 CB ILE A 83 13.295 18.482 11.561 1.00 1.00 C ATOM 791 CG1 ILE A 83 12.508 19.746 11.156 1.00 1.00 C ATOM 792 CG2 ILE A 83 14.790 18.744 11.364 1.00 1.00 C ATOM 793 CD1 ILE A 83 12.892 20.220 9.740 1.00 1.00 C ATOM 0 H ILE A 83 10.819 17.029 11.267 1.00 1.00 H new ATOM 0 HA ILE A 83 13.339 17.300 9.745 1.00 1.00 H new ATOM 0 HB ILE A 83 13.103 18.250 12.609 1.00 1.00 H new ATOM 0 HG12 ILE A 83 11.439 19.538 11.194 1.00 1.00 H new ATOM 0 HG13 ILE A 83 12.703 20.543 11.873 1.00 1.00 H new ATOM 0 HG21 ILE A 83 15.093 19.598 11.969 1.00 1.00 H new ATOM 0 HG22 ILE A 83 15.357 17.864 11.669 1.00 1.00 H new ATOM 0 HG23 ILE A 83 14.987 18.956 10.313 1.00 1.00 H new ATOM 0 HD11 ILE A 83 12.319 21.112 9.487 1.00 1.00 H new ATOM 0 HD12 ILE A 83 13.957 20.452 9.710 1.00 1.00 H new ATOM 0 HD13 ILE A 83 12.672 19.431 9.020 1.00 1.00 H new ATOM 805 N VAL A 84 13.948 15.130 10.699 1.00 1.00 N ATOM 806 CA VAL A 84 14.391 13.873 11.270 1.00 1.00 C ATOM 807 C VAL A 84 15.796 14.025 11.828 1.00 1.00 C ATOM 808 O VAL A 84 16.693 14.531 11.152 1.00 1.00 O ATOM 809 CB VAL A 84 14.379 12.787 10.202 1.00 1.00 C ATOM 810 CG1 VAL A 84 14.487 11.411 10.864 1.00 1.00 C ATOM 811 CG2 VAL A 84 13.086 12.872 9.405 1.00 1.00 C ATOM 0 H VAL A 84 14.234 15.283 9.732 1.00 1.00 H new ATOM 0 HA VAL A 84 13.714 13.592 12.076 1.00 1.00 H new ATOM 0 HB VAL A 84 15.227 12.930 9.532 1.00 1.00 H new ATOM 0 HG11 VAL A 84 14.478 10.637 10.097 1.00 1.00 H new ATOM 0 HG12 VAL A 84 15.417 11.351 11.429 1.00 1.00 H new ATOM 0 HG13 VAL A 84 13.643 11.264 11.538 1.00 1.00 H new ATOM 0 HG21 VAL A 84 13.078 12.095 8.641 1.00 1.00 H new ATOM 0 HG22 VAL A 84 12.237 12.732 10.074 1.00 1.00 H new ATOM 0 HG23 VAL A 84 13.016 13.850 8.929 1.00 1.00 H new ATOM 821 N VAL A 85 15.976 13.598 13.069 1.00 1.00 N ATOM 822 CA VAL A 85 17.278 13.695 13.734 1.00 1.00 C ATOM 823 C VAL A 85 17.662 12.377 14.401 1.00 1.00 C ATOM 824 O VAL A 85 16.833 11.476 14.541 1.00 1.00 O ATOM 825 CB VAL A 85 17.237 14.801 14.777 1.00 1.00 C ATOM 826 CG1 VAL A 85 17.153 16.163 14.087 1.00 1.00 C ATOM 827 CG2 VAL A 85 16.015 14.610 15.675 1.00 1.00 C ATOM 0 H VAL A 85 15.241 13.181 13.640 1.00 1.00 H new ATOM 0 HA VAL A 85 18.029 13.924 12.978 1.00 1.00 H new ATOM 0 HB VAL A 85 18.144 14.759 15.380 1.00 1.00 H new ATOM 0 HG11 VAL A 85 17.124 16.951 14.840 1.00 1.00 H new ATOM 0 HG12 VAL A 85 18.026 16.302 13.449 1.00 1.00 H new ATOM 0 HG13 VAL A 85 16.249 16.208 13.480 1.00 1.00 H new ATOM 0 HG21 VAL A 85 15.985 15.403 16.423 1.00 1.00 H new ATOM 0 HG22 VAL A 85 15.109 14.648 15.070 1.00 1.00 H new ATOM 0 HG23 VAL A 85 16.078 13.643 16.174 1.00 1.00 H new ATOM 837 N ASP A 86 18.929 12.266 14.801 1.00 1.00 N ATOM 838 CA ASP A 86 19.418 11.053 15.437 1.00 1.00 C ATOM 839 C ASP A 86 18.973 11.006 16.894 1.00 1.00 C ATOM 840 O ASP A 86 19.660 10.443 17.742 1.00 1.00 O ATOM 841 CB ASP A 86 20.950 10.995 15.375 1.00 1.00 C ATOM 842 CG ASP A 86 21.450 9.717 16.037 1.00 1.00 C ATOM 843 OD1 ASP A 86 20.638 8.835 16.267 1.00 1.00 O ATOM 844 OD2 ASP A 86 22.634 9.642 16.315 1.00 1.00 O ATOM 0 H ASP A 86 19.629 13.000 14.694 1.00 1.00 H new ATOM 0 HA ASP A 86 19.004 10.198 14.903 1.00 1.00 H new ATOM 0 HB2 ASP A 86 21.282 11.031 14.337 1.00 1.00 H new ATOM 0 HB3 ASP A 86 21.376 11.864 15.876 1.00 1.00 H new ATOM 849 N GLU A 87 17.824 11.606 17.178 1.00 1.00 N ATOM 850 CA GLU A 87 17.296 11.631 18.537 1.00 1.00 C ATOM 851 C GLU A 87 18.212 12.425 19.461 1.00 1.00 C ATOM 852 O GLU A 87 17.840 13.490 19.959 1.00 1.00 O ATOM 853 CB GLU A 87 17.138 10.203 19.074 1.00 1.00 C ATOM 854 CG GLU A 87 16.486 9.325 18.004 1.00 1.00 C ATOM 855 CD GLU A 87 16.099 7.977 18.599 1.00 1.00 C ATOM 856 OE1 GLU A 87 16.187 7.838 19.807 1.00 1.00 O ATOM 857 OE2 GLU A 87 15.718 7.105 17.836 1.00 1.00 O ATOM 0 H GLU A 87 17.241 12.080 16.488 1.00 1.00 H new ATOM 0 HA GLU A 87 16.320 12.116 18.509 1.00 1.00 H new ATOM 0 HB2 GLU A 87 18.111 9.797 19.349 1.00 1.00 H new ATOM 0 HB3 GLU A 87 16.528 10.208 19.977 1.00 1.00 H new ATOM 0 HG2 GLU A 87 15.602 9.822 17.603 1.00 1.00 H new ATOM 0 HG3 GLU A 87 17.175 9.180 17.172 1.00 1.00 H new ATOM 864 N GLY A 88 19.409 11.901 19.685 1.00 1.00 N ATOM 865 CA GLY A 88 20.376 12.560 20.550 1.00 1.00 C ATOM 866 C GLY A 88 20.513 14.030 20.188 1.00 1.00 C ATOM 867 O GLY A 88 21.023 14.825 20.974 1.00 1.00 O ATOM 0 H GLY A 88 19.733 11.023 19.280 1.00 1.00 H new ATOM 0 HA2 GLY A 88 20.064 12.465 21.590 1.00 1.00 H new ATOM 0 HA3 GLY A 88 21.344 12.068 20.461 1.00 1.00 H new ATOM 871 N MET A 89 20.057 14.390 18.994 1.00 1.00 N ATOM 872 CA MET A 89 20.139 15.774 18.547 1.00 1.00 C ATOM 873 C MET A 89 19.052 16.613 19.207 1.00 1.00 C ATOM 874 O MET A 89 17.950 16.131 19.475 1.00 1.00 O ATOM 875 CB MET A 89 19.993 15.825 17.013 1.00 1.00 C ATOM 876 CG MET A 89 21.127 16.627 16.377 1.00 1.00 C ATOM 877 SD MET A 89 21.102 16.369 14.588 1.00 1.00 S ATOM 878 CE MET A 89 22.033 14.817 14.572 1.00 1.00 C ATOM 0 H MET A 89 19.631 13.750 18.324 1.00 1.00 H new ATOM 0 HA MET A 89 21.108 16.184 18.833 1.00 1.00 H new ATOM 0 HB2 MET A 89 19.991 14.812 16.611 1.00 1.00 H new ATOM 0 HB3 MET A 89 19.035 16.274 16.751 1.00 1.00 H new ATOM 0 HG2 MET A 89 21.013 17.687 16.606 1.00 1.00 H new ATOM 0 HG3 MET A 89 22.086 16.314 16.789 1.00 1.00 H new ATOM 0 HE1 MET A 89 21.563 14.118 13.880 1.00 1.00 H new ATOM 0 HE2 MET A 89 23.057 15.010 14.253 1.00 1.00 H new ATOM 0 HE3 MET A 89 22.040 14.387 15.574 1.00 1.00 H new ATOM 888 N ASP A 90 19.372 17.876 19.450 1.00 1.00 N ATOM 889 CA ASP A 90 18.425 18.800 20.061 1.00 1.00 C ATOM 890 C ASP A 90 17.805 19.680 18.996 1.00 1.00 C ATOM 891 O ASP A 90 18.478 20.071 18.042 1.00 1.00 O ATOM 892 CB ASP A 90 19.134 19.669 21.096 1.00 1.00 C ATOM 893 CG ASP A 90 19.546 18.814 22.287 1.00 1.00 C ATOM 894 OD1 ASP A 90 19.100 17.680 22.357 1.00 1.00 O ATOM 895 OD2 ASP A 90 20.299 19.303 23.111 1.00 1.00 O ATOM 0 H ASP A 90 20.281 18.285 19.233 1.00 1.00 H new ATOM 0 HA ASP A 90 17.641 18.226 20.555 1.00 1.00 H new ATOM 0 HB2 ASP A 90 20.012 20.138 20.652 1.00 1.00 H new ATOM 0 HB3 ASP A 90 18.475 20.473 21.424 1.00 1.00 H new ATOM 900 N TYR A 91 16.515 19.982 19.155 1.00 1.00 N ATOM 901 CA TYR A 91 15.800 20.816 18.189 1.00 1.00 C ATOM 902 C TYR A 91 16.722 21.920 17.654 1.00 1.00 C ATOM 903 O TYR A 91 16.921 22.044 16.455 1.00 1.00 O ATOM 904 CB TYR A 91 14.557 21.446 18.875 1.00 1.00 C ATOM 905 CG TYR A 91 14.520 22.942 18.631 1.00 1.00 C ATOM 906 CD1 TYR A 91 14.031 23.440 17.427 1.00 1.00 C ATOM 907 CD2 TYR A 91 15.025 23.813 19.592 1.00 1.00 C ATOM 908 CE1 TYR A 91 14.024 24.811 17.180 1.00 1.00 C ATOM 909 CE2 TYR A 91 15.014 25.190 19.363 1.00 1.00 C ATOM 910 CZ TYR A 91 14.514 25.694 18.152 1.00 1.00 C ATOM 911 OH TYR A 91 14.514 27.053 17.912 1.00 1.00 O ATOM 0 H TYR A 91 15.947 19.663 19.940 1.00 1.00 H new ATOM 0 HA TYR A 91 15.478 20.198 17.351 1.00 1.00 H new ATOM 0 HB2 TYR A 91 13.648 20.985 18.488 1.00 1.00 H new ATOM 0 HB3 TYR A 91 14.585 21.246 19.946 1.00 1.00 H new ATOM 0 HD1 TYR A 91 13.654 22.759 16.679 1.00 1.00 H new ATOM 0 HD2 TYR A 91 15.426 23.423 20.516 1.00 1.00 H new ATOM 0 HE1 TYR A 91 13.643 25.192 16.244 1.00 1.00 H new ATOM 0 HE2 TYR A 91 15.390 25.867 20.116 1.00 1.00 H new ATOM 0 HH TYR A 91 14.886 27.522 18.688 1.00 1.00 H new ATOM 921 N GLU A 92 17.267 22.711 18.570 1.00 1.00 N ATOM 922 CA GLU A 92 18.153 23.800 18.189 1.00 1.00 C ATOM 923 C GLU A 92 19.311 23.262 17.362 1.00 1.00 C ATOM 924 O GLU A 92 19.509 23.666 16.220 1.00 1.00 O ATOM 925 CB GLU A 92 18.684 24.495 19.445 1.00 1.00 C ATOM 926 CG GLU A 92 19.345 23.466 20.390 1.00 1.00 C ATOM 927 CD GLU A 92 19.255 23.933 21.835 1.00 1.00 C ATOM 928 OE1 GLU A 92 18.160 23.922 22.372 1.00 1.00 O ATOM 929 OE2 GLU A 92 20.281 24.291 22.386 1.00 1.00 O ATOM 0 H GLU A 92 17.112 22.619 19.574 1.00 1.00 H new ATOM 0 HA GLU A 92 17.598 24.521 17.589 1.00 1.00 H new ATOM 0 HB2 GLU A 92 19.408 25.260 19.166 1.00 1.00 H new ATOM 0 HB3 GLU A 92 17.868 25.001 19.961 1.00 1.00 H new ATOM 0 HG2 GLU A 92 18.855 22.498 20.283 1.00 1.00 H new ATOM 0 HG3 GLU A 92 20.390 23.326 20.111 1.00 1.00 H new ATOM 936 N ARG A 93 20.085 22.350 17.946 1.00 1.00 N ATOM 937 CA ARG A 93 21.228 21.771 17.246 1.00 1.00 C ATOM 938 C ARG A 93 20.855 21.451 15.802 1.00 1.00 C ATOM 939 O ARG A 93 21.632 21.699 14.879 1.00 1.00 O ATOM 940 CB ARG A 93 21.664 20.495 17.949 1.00 1.00 C ATOM 941 CG ARG A 93 22.874 19.916 17.218 1.00 1.00 C ATOM 942 CD ARG A 93 23.428 18.757 18.024 1.00 1.00 C ATOM 943 NE ARG A 93 24.518 18.100 17.299 1.00 1.00 N ATOM 944 CZ ARG A 93 25.112 17.005 17.776 1.00 1.00 C ATOM 945 NH1 ARG A 93 24.727 16.491 18.912 1.00 1.00 N ATOM 946 NH2 ARG A 93 26.080 16.443 17.102 1.00 1.00 N ATOM 0 H ARG A 93 19.943 21.999 18.893 1.00 1.00 H new ATOM 0 HA ARG A 93 22.046 22.491 17.251 1.00 1.00 H new ATOM 0 HB2 ARG A 93 21.916 20.705 18.988 1.00 1.00 H new ATOM 0 HB3 ARG A 93 20.848 19.772 17.959 1.00 1.00 H new ATOM 0 HG2 ARG A 93 22.587 19.579 16.222 1.00 1.00 H new ATOM 0 HG3 ARG A 93 23.637 20.683 17.087 1.00 1.00 H new ATOM 0 HD2 ARG A 93 23.790 19.117 18.987 1.00 1.00 H new ATOM 0 HD3 ARG A 93 22.635 18.038 18.229 1.00 1.00 H new ATOM 0 HE ARG A 93 24.830 18.489 16.409 1.00 1.00 H new ATOM 0 HH11 ARG A 93 23.970 16.927 19.438 1.00 1.00 H new ATOM 0 HH12 ARG A 93 25.183 15.654 19.274 1.00 1.00 H new ATOM 0 HH21 ARG A 93 26.380 16.842 16.212 1.00 1.00 H new ATOM 0 HH22 ARG A 93 26.535 15.606 17.465 1.00 1.00 H new ATOM 960 N ALA A 94 19.660 20.900 15.616 1.00 1.00 N ATOM 961 CA ALA A 94 19.197 20.557 14.280 1.00 1.00 C ATOM 962 C ALA A 94 19.233 21.782 13.363 1.00 1.00 C ATOM 963 O ALA A 94 19.745 21.714 12.248 1.00 1.00 O ATOM 964 CB ALA A 94 17.775 20.003 14.341 1.00 1.00 C ATOM 0 H ALA A 94 19.002 20.684 16.365 1.00 1.00 H new ATOM 0 HA ALA A 94 19.863 19.796 13.874 1.00 1.00 H new ATOM 0 HB1 ALA A 94 17.440 19.750 13.335 1.00 1.00 H new ATOM 0 HB2 ALA A 94 17.759 19.109 14.964 1.00 1.00 H new ATOM 0 HB3 ALA A 94 17.110 20.754 14.767 1.00 1.00 H new ATOM 970 N LEU A 95 18.685 22.899 13.838 1.00 1.00 N ATOM 971 CA LEU A 95 18.659 24.119 13.039 1.00 1.00 C ATOM 972 C LEU A 95 20.071 24.520 12.641 1.00 1.00 C ATOM 973 O LEU A 95 20.321 24.867 11.487 1.00 1.00 O ATOM 974 CB LEU A 95 18.008 25.248 13.863 1.00 1.00 C ATOM 975 CG LEU A 95 16.494 25.272 13.637 1.00 1.00 C ATOM 976 CD1 LEU A 95 15.909 23.876 13.861 1.00 1.00 C ATOM 977 CD2 LEU A 95 15.862 26.254 14.621 1.00 1.00 C ATOM 0 H LEU A 95 18.258 22.983 14.761 1.00 1.00 H new ATOM 0 HA LEU A 95 18.080 23.943 12.132 1.00 1.00 H new ATOM 0 HB2 LEU A 95 18.221 25.103 14.922 1.00 1.00 H new ATOM 0 HB3 LEU A 95 18.439 26.208 13.580 1.00 1.00 H new ATOM 0 HG LEU A 95 16.284 25.583 12.614 1.00 1.00 H new ATOM 0 HD11 LEU A 95 14.832 23.903 13.698 1.00 1.00 H new ATOM 0 HD12 LEU A 95 16.364 23.174 13.162 1.00 1.00 H new ATOM 0 HD13 LEU A 95 16.114 23.555 14.882 1.00 1.00 H new ATOM 0 HD21 LEU A 95 14.783 26.279 14.468 1.00 1.00 H new ATOM 0 HD22 LEU A 95 16.077 25.936 15.641 1.00 1.00 H new ATOM 0 HD23 LEU A 95 16.274 27.250 14.457 1.00 1.00 H new ATOM 989 N ARG A 96 20.997 24.459 13.584 1.00 1.00 N ATOM 990 CA ARG A 96 22.354 24.802 13.298 1.00 1.00 C ATOM 991 C ARG A 96 22.940 23.864 12.250 1.00 1.00 C ATOM 992 O ARG A 96 23.652 24.296 11.346 1.00 1.00 O ATOM 993 CB ARG A 96 23.164 24.731 14.590 1.00 1.00 C ATOM 994 CG ARG A 96 24.644 24.947 14.272 1.00 1.00 C ATOM 995 CD ARG A 96 25.323 23.641 13.771 1.00 1.00 C ATOM 996 NE ARG A 96 26.564 23.415 14.502 1.00 1.00 N ATOM 997 CZ ARG A 96 26.558 22.824 15.693 1.00 1.00 C ATOM 998 NH1 ARG A 96 25.426 22.458 16.234 1.00 1.00 N ATOM 999 NH2 ARG A 96 27.678 22.614 16.321 1.00 1.00 N ATOM 0 H ARG A 96 20.821 24.174 14.547 1.00 1.00 H new ATOM 0 HA ARG A 96 22.393 25.814 12.896 1.00 1.00 H new ATOM 0 HB2 ARG A 96 22.817 25.489 15.292 1.00 1.00 H new ATOM 0 HB3 ARG A 96 23.021 23.763 15.070 1.00 1.00 H new ATOM 0 HG2 ARG A 96 24.743 25.723 13.513 1.00 1.00 H new ATOM 0 HG3 ARG A 96 25.159 25.306 15.163 1.00 1.00 H new ATOM 0 HD2 ARG A 96 24.650 22.795 13.909 1.00 1.00 H new ATOM 0 HD3 ARG A 96 25.528 23.714 12.703 1.00 1.00 H new ATOM 0 HE ARG A 96 27.450 23.715 14.094 1.00 1.00 H new ATOM 0 HH11 ARG A 96 24.548 22.626 15.743 1.00 1.00 H new ATOM 0 HH12 ARG A 96 25.420 22.005 17.148 1.00 1.00 H new ATOM 0 HH21 ARG A 96 28.561 22.903 15.900 1.00 1.00 H new ATOM 0 HH22 ARG A 96 27.673 22.161 17.235 1.00 1.00 H new ATOM 1013 N LEU A 97 22.651 22.573 12.383 1.00 1.00 N ATOM 1014 CA LEU A 97 23.179 21.592 11.446 1.00 1.00 C ATOM 1015 C LEU A 97 22.660 21.839 10.041 1.00 1.00 C ATOM 1016 O LEU A 97 23.435 21.911 9.085 1.00 1.00 O ATOM 1017 CB LEU A 97 22.764 20.184 11.903 1.00 1.00 C ATOM 1018 CG LEU A 97 23.683 19.709 13.040 1.00 1.00 C ATOM 1019 CD1 LEU A 97 23.019 18.544 13.780 1.00 1.00 C ATOM 1020 CD2 LEU A 97 25.043 19.243 12.480 1.00 1.00 C ATOM 0 H LEU A 97 22.062 22.187 13.121 1.00 1.00 H new ATOM 0 HA LEU A 97 24.265 21.680 11.429 1.00 1.00 H new ATOM 0 HB2 LEU A 97 21.728 20.193 12.241 1.00 1.00 H new ATOM 0 HB3 LEU A 97 22.820 19.489 11.065 1.00 1.00 H new ATOM 0 HG LEU A 97 23.849 20.541 13.724 1.00 1.00 H new ATOM 0 HD11 LEU A 97 23.670 18.207 14.586 1.00 1.00 H new ATOM 0 HD12 LEU A 97 22.067 18.873 14.196 1.00 1.00 H new ATOM 0 HD13 LEU A 97 22.847 17.722 13.085 1.00 1.00 H new ATOM 0 HD21 LEU A 97 25.680 18.911 13.300 1.00 1.00 H new ATOM 0 HD22 LEU A 97 24.887 18.418 11.785 1.00 1.00 H new ATOM 0 HD23 LEU A 97 25.525 20.070 11.959 1.00 1.00 H new ATOM 1032 N LEU A 98 21.354 21.956 9.912 1.00 1.00 N ATOM 1033 CA LEU A 98 20.750 22.180 8.618 1.00 1.00 C ATOM 1034 C LEU A 98 20.910 23.634 8.210 1.00 1.00 C ATOM 1035 O LEU A 98 20.758 23.957 7.040 1.00 1.00 O ATOM 1036 CB LEU A 98 19.259 21.769 8.672 1.00 1.00 C ATOM 1037 CG LEU A 98 18.329 23.012 8.771 1.00 1.00 C ATOM 1038 CD1 LEU A 98 18.117 23.656 7.364 1.00 1.00 C ATOM 1039 CD2 LEU A 98 16.993 22.607 9.410 1.00 1.00 C ATOM 0 H LEU A 98 20.693 21.900 10.687 1.00 1.00 H new ATOM 0 HA LEU A 98 21.250 21.570 7.866 1.00 1.00 H new ATOM 0 HB2 LEU A 98 19.006 21.194 7.781 1.00 1.00 H new ATOM 0 HB3 LEU A 98 19.091 21.118 9.530 1.00 1.00 H new ATOM 0 HG LEU A 98 18.800 23.763 9.404 1.00 1.00 H new ATOM 0 HD11 LEU A 98 17.464 24.524 7.456 1.00 1.00 H new ATOM 0 HD12 LEU A 98 19.079 23.968 6.958 1.00 1.00 H new ATOM 0 HD13 LEU A 98 17.660 22.927 6.695 1.00 1.00 H new ATOM 0 HD21 LEU A 98 16.343 23.479 9.478 1.00 1.00 H new ATOM 0 HD22 LEU A 98 16.513 21.844 8.797 1.00 1.00 H new ATOM 0 HD23 LEU A 98 17.173 22.210 10.409 1.00 1.00 H new ATOM 1051 N ARG A 99 21.192 24.488 9.201 1.00 1.00 N ATOM 1052 CA ARG A 99 21.359 25.917 8.950 1.00 1.00 C ATOM 1053 C ARG A 99 20.032 26.606 8.745 1.00 1.00 C ATOM 1054 O ARG A 99 19.775 27.146 7.664 1.00 1.00 O ATOM 1055 CB ARG A 99 22.259 26.142 7.740 1.00 1.00 C ATOM 1056 CG ARG A 99 23.555 25.286 7.885 1.00 1.00 C ATOM 1057 CD ARG A 99 23.739 24.370 6.676 1.00 1.00 C ATOM 1058 NE ARG A 99 23.628 25.148 5.452 1.00 1.00 N ATOM 1059 CZ ARG A 99 23.354 24.564 4.292 1.00 1.00 C ATOM 1060 NH1 ARG A 99 23.162 23.275 4.242 1.00 1.00 N ATOM 1061 NH2 ARG A 99 23.266 25.281 3.206 1.00 1.00 N ATOM 0 H ARG A 99 21.308 24.213 10.176 1.00 1.00 H new ATOM 0 HA ARG A 99 21.829 26.353 9.832 1.00 1.00 H new ATOM 0 HB2 ARG A 99 21.731 25.869 6.826 1.00 1.00 H new ATOM 0 HB3 ARG A 99 22.516 27.198 7.657 1.00 1.00 H new ATOM 0 HG2 ARG A 99 24.420 25.942 7.985 1.00 1.00 H new ATOM 0 HG3 ARG A 99 23.501 24.688 8.795 1.00 1.00 H new ATOM 0 HD2 ARG A 99 24.713 23.882 6.722 1.00 1.00 H new ATOM 0 HD3 ARG A 99 22.987 23.581 6.687 1.00 1.00 H new ATOM 0 HE ARG A 99 23.763 26.158 5.486 1.00 1.00 H new ATOM 0 HH11 ARG A 99 23.222 22.717 5.094 1.00 1.00 H new ATOM 0 HH12 ARG A 99 22.951 22.825 3.351 1.00 1.00 H new ATOM 0 HH21 ARG A 99 23.408 26.290 3.248 1.00 1.00 H new ATOM 0 HH22 ARG A 99 23.055 24.832 2.314 1.00 1.00 H new ATOM 1075 N LEU A 100 19.187 26.611 9.779 1.00 1.00 N ATOM 1076 CA LEU A 100 17.893 27.278 9.674 1.00 1.00 C ATOM 1077 C LEU A 100 17.588 28.094 10.938 1.00 1.00 C ATOM 1078 O LEU A 100 17.486 27.535 12.020 1.00 1.00 O ATOM 1079 CB LEU A 100 16.766 26.267 9.445 1.00 1.00 C ATOM 1080 CG LEU A 100 15.616 26.921 8.649 1.00 1.00 C ATOM 1081 CD1 LEU A 100 15.941 26.948 7.145 1.00 1.00 C ATOM 1082 CD2 LEU A 100 14.340 26.120 8.871 1.00 1.00 C ATOM 0 H LEU A 100 19.372 26.170 10.680 1.00 1.00 H new ATOM 0 HA LEU A 100 17.948 27.950 8.818 1.00 1.00 H new ATOM 0 HB2 LEU A 100 17.148 25.402 8.902 1.00 1.00 H new ATOM 0 HB3 LEU A 100 16.394 25.903 10.403 1.00 1.00 H new ATOM 0 HG LEU A 100 15.486 27.946 8.996 1.00 1.00 H new ATOM 0 HD11 LEU A 100 15.117 27.413 6.603 1.00 1.00 H new ATOM 0 HD12 LEU A 100 16.853 27.521 6.980 1.00 1.00 H new ATOM 0 HD13 LEU A 100 16.083 25.929 6.785 1.00 1.00 H new ATOM 0 HD21 LEU A 100 13.523 26.575 8.312 1.00 1.00 H new ATOM 0 HD22 LEU A 100 14.489 25.096 8.527 1.00 1.00 H new ATOM 0 HD23 LEU A 100 14.094 26.114 9.933 1.00 1.00 H new ATOM 1094 N PRO A 101 17.436 29.390 10.833 1.00 1.00 N ATOM 1095 CA PRO A 101 17.148 30.251 12.021 1.00 1.00 C ATOM 1096 C PRO A 101 15.820 29.885 12.688 1.00 1.00 C ATOM 1097 O PRO A 101 15.704 29.897 13.915 1.00 1.00 O ATOM 1098 CB PRO A 101 17.121 31.681 11.438 1.00 1.00 C ATOM 1099 CG PRO A 101 16.881 31.511 9.973 1.00 1.00 C ATOM 1100 CD PRO A 101 17.511 30.187 9.593 1.00 1.00 C ATOM 0 HA PRO A 101 17.890 30.132 12.810 1.00 1.00 H new ATOM 0 HB2 PRO A 101 16.333 32.277 11.898 1.00 1.00 H new ATOM 0 HB3 PRO A 101 18.062 32.198 11.624 1.00 1.00 H new ATOM 0 HG2 PRO A 101 15.814 31.513 9.751 1.00 1.00 H new ATOM 0 HG3 PRO A 101 17.326 32.330 9.408 1.00 1.00 H new ATOM 0 HD2 PRO A 101 16.971 29.707 8.776 1.00 1.00 H new ATOM 0 HD3 PRO A 101 18.542 30.315 9.262 1.00 1.00 H new ATOM 1108 N GLN A 102 14.827 29.563 11.874 1.00 1.00 N ATOM 1109 CA GLN A 102 13.514 29.204 12.396 1.00 1.00 C ATOM 1110 C GLN A 102 12.694 28.494 11.336 1.00 1.00 C ATOM 1111 O GLN A 102 12.670 28.899 10.175 1.00 1.00 O ATOM 1112 CB GLN A 102 12.770 30.458 12.860 1.00 1.00 C ATOM 1113 CG GLN A 102 11.429 30.045 13.460 1.00 1.00 C ATOM 1114 CD GLN A 102 10.760 31.248 14.124 1.00 1.00 C ATOM 1115 OE1 GLN A 102 11.306 32.351 14.101 1.00 1.00 O ATOM 1116 NE2 GLN A 102 9.608 31.104 14.722 1.00 1.00 N ATOM 0 H GLN A 102 14.902 29.542 10.857 1.00 1.00 H new ATOM 0 HA GLN A 102 13.656 28.533 13.243 1.00 1.00 H new ATOM 0 HB2 GLN A 102 13.364 30.996 13.599 1.00 1.00 H new ATOM 0 HB3 GLN A 102 12.614 31.136 12.021 1.00 1.00 H new ATOM 0 HG2 GLN A 102 10.781 29.643 12.681 1.00 1.00 H new ATOM 0 HG3 GLN A 102 11.578 29.251 14.192 1.00 1.00 H new ATOM 0 HE21 GLN A 102 9.154 30.191 14.742 1.00 1.00 H new ATOM 0 HE22 GLN A 102 9.162 31.905 15.169 1.00 1.00 H new ATOM 1125 N LEU A 103 12.022 27.425 11.741 1.00 1.00 N ATOM 1126 CA LEU A 103 11.213 26.656 10.808 1.00 1.00 C ATOM 1127 C LEU A 103 9.911 27.375 10.494 1.00 1.00 C ATOM 1128 O LEU A 103 9.378 28.098 11.337 1.00 1.00 O ATOM 1129 CB LEU A 103 10.904 25.286 11.402 1.00 1.00 C ATOM 1130 CG LEU A 103 12.211 24.511 11.648 1.00 1.00 C ATOM 1131 CD1 LEU A 103 12.011 23.508 12.791 1.00 1.00 C ATOM 1132 CD2 LEU A 103 12.634 23.759 10.378 1.00 1.00 C ATOM 0 H LEU A 103 12.021 27.074 12.699 1.00 1.00 H new ATOM 0 HA LEU A 103 11.778 26.540 9.883 1.00 1.00 H new ATOM 0 HB2 LEU A 103 10.358 25.401 12.339 1.00 1.00 H new ATOM 0 HB3 LEU A 103 10.260 24.724 10.725 1.00 1.00 H new ATOM 0 HG LEU A 103 12.993 25.222 11.916 1.00 1.00 H new ATOM 0 HD11 LEU A 103 12.938 22.961 12.962 1.00 1.00 H new ATOM 0 HD12 LEU A 103 11.732 24.042 13.699 1.00 1.00 H new ATOM 0 HD13 LEU A 103 11.220 22.806 12.525 1.00 1.00 H new ATOM 0 HD21 LEU A 103 13.560 23.216 10.568 1.00 1.00 H new ATOM 0 HD22 LEU A 103 11.852 23.055 10.095 1.00 1.00 H new ATOM 0 HD23 LEU A 103 12.791 24.472 9.568 1.00 1.00 H new ATOM 1144 N PRO A 104 9.389 27.202 9.306 1.00 1.00 N ATOM 1145 CA PRO A 104 8.125 27.863 8.898 1.00 1.00 C ATOM 1146 C PRO A 104 6.917 27.356 9.691 1.00 1.00 C ATOM 1147 O PRO A 104 6.996 26.335 10.378 1.00 1.00 O ATOM 1148 CB PRO A 104 7.993 27.525 7.397 1.00 1.00 C ATOM 1149 CG PRO A 104 8.811 26.290 7.202 1.00 1.00 C ATOM 1150 CD PRO A 104 9.945 26.372 8.219 1.00 1.00 C ATOM 0 HA PRO A 104 8.149 28.936 9.091 1.00 1.00 H new ATOM 0 HB2 PRO A 104 6.952 27.356 7.121 1.00 1.00 H new ATOM 0 HB3 PRO A 104 8.359 28.342 6.775 1.00 1.00 H new ATOM 0 HG2 PRO A 104 8.210 25.395 7.360 1.00 1.00 H new ATOM 0 HG3 PRO A 104 9.201 26.237 6.186 1.00 1.00 H new ATOM 0 HD2 PRO A 104 10.232 25.384 8.578 1.00 1.00 H new ATOM 0 HD3 PRO A 104 10.837 26.825 7.787 1.00 1.00 H new ATOM 1158 N PRO A 105 5.799 28.038 9.590 1.00 1.00 N ATOM 1159 CA PRO A 105 4.544 27.632 10.294 1.00 1.00 C ATOM 1160 C PRO A 105 4.120 26.204 9.947 1.00 1.00 C ATOM 1161 O PRO A 105 4.325 25.737 8.826 1.00 1.00 O ATOM 1162 CB PRO A 105 3.494 28.648 9.799 1.00 1.00 C ATOM 1163 CG PRO A 105 4.277 29.827 9.317 1.00 1.00 C ATOM 1164 CD PRO A 105 5.605 29.277 8.807 1.00 1.00 C ATOM 0 HA PRO A 105 4.670 27.636 11.377 1.00 1.00 H new ATOM 0 HB2 PRO A 105 2.886 28.226 8.998 1.00 1.00 H new ATOM 0 HB3 PRO A 105 2.812 28.931 10.601 1.00 1.00 H new ATOM 0 HG2 PRO A 105 3.743 30.351 8.525 1.00 1.00 H new ATOM 0 HG3 PRO A 105 4.436 30.544 10.122 1.00 1.00 H new ATOM 0 HD2 PRO A 105 5.568 29.072 7.737 1.00 1.00 H new ATOM 0 HD3 PRO A 105 6.419 29.984 8.969 1.00 1.00 H new ATOM 1172 N GLY A 106 3.528 25.518 10.919 1.00 1.00 N ATOM 1173 CA GLY A 106 3.073 24.148 10.711 1.00 1.00 C ATOM 1174 C GLY A 106 4.233 23.167 10.824 1.00 1.00 C ATOM 1175 O GLY A 106 4.029 21.973 11.038 1.00 1.00 O ATOM 0 H GLY A 106 3.353 25.886 11.854 1.00 1.00 H new ATOM 0 HA2 GLY A 106 2.308 23.899 11.446 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.611 24.059 9.728 1.00 1.00 H new ATOM 1179 N ALA A 107 5.450 23.681 10.680 1.00 1.00 N ATOM 1180 CA ALA A 107 6.638 22.841 10.767 1.00 1.00 C ATOM 1181 C ALA A 107 6.742 22.208 12.150 1.00 1.00 C ATOM 1182 O ALA A 107 6.261 22.765 13.135 1.00 1.00 O ATOM 1183 CB ALA A 107 7.890 23.670 10.488 1.00 1.00 C ATOM 0 H ALA A 107 5.639 24.668 10.504 1.00 1.00 H new ATOM 0 HA ALA A 107 6.556 22.051 10.021 1.00 1.00 H new ATOM 0 HB1 ALA A 107 8.771 23.032 10.556 1.00 1.00 H new ATOM 0 HB2 ALA A 107 7.828 24.098 9.487 1.00 1.00 H new ATOM 0 HB3 ALA A 107 7.966 24.473 11.222 1.00 1.00 H new ATOM 1189 N GLN A 108 7.369 21.039 12.212 1.00 1.00 N ATOM 1190 CA GLN A 108 7.524 20.331 13.481 1.00 1.00 C ATOM 1191 C GLN A 108 8.706 19.378 13.414 1.00 1.00 C ATOM 1192 O GLN A 108 8.818 18.573 12.492 1.00 1.00 O ATOM 1193 CB GLN A 108 6.245 19.552 13.805 1.00 1.00 C ATOM 1194 CG GLN A 108 5.681 18.940 12.520 1.00 1.00 C ATOM 1195 CD GLN A 108 4.455 18.096 12.841 1.00 1.00 C ATOM 1196 OE1 GLN A 108 3.606 18.508 13.631 1.00 1.00 O ATOM 1197 NE2 GLN A 108 4.309 16.932 12.270 1.00 1.00 N ATOM 0 H GLN A 108 7.776 20.563 11.407 1.00 1.00 H new ATOM 0 HA GLN A 108 7.707 21.062 14.268 1.00 1.00 H new ATOM 0 HB2 GLN A 108 6.458 18.767 14.531 1.00 1.00 H new ATOM 0 HB3 GLN A 108 5.508 20.215 14.259 1.00 1.00 H new ATOM 0 HG2 GLN A 108 5.415 19.730 11.817 1.00 1.00 H new ATOM 0 HG3 GLN A 108 6.440 18.325 12.037 1.00 1.00 H new ATOM 0 HE21 GLN A 108 5.014 16.593 11.616 1.00 1.00 H new ATOM 0 HE22 GLN A 108 3.490 16.361 12.478 1.00 1.00 H new ATOM 1206 N LEU A 109 9.590 19.471 14.399 1.00 1.00 N ATOM 1207 CA LEU A 109 10.759 18.608 14.427 1.00 1.00 C ATOM 1208 C LEU A 109 10.424 17.276 15.051 1.00 1.00 C ATOM 1209 O LEU A 109 9.882 17.233 16.145 1.00 1.00 O ATOM 1210 CB LEU A 109 11.871 19.261 15.248 1.00 1.00 C ATOM 1211 CG LEU A 109 12.065 20.736 14.807 1.00 1.00 C ATOM 1212 CD1 LEU A 109 11.413 21.687 15.825 1.00 1.00 C ATOM 1213 CD2 LEU A 109 13.565 21.048 14.687 1.00 1.00 C ATOM 0 H LEU A 109 9.521 20.126 15.178 1.00 1.00 H new ATOM 0 HA LEU A 109 11.089 18.456 13.399 1.00 1.00 H new ATOM 0 HB2 LEU A 109 11.622 19.220 16.308 1.00 1.00 H new ATOM 0 HB3 LEU A 109 12.802 18.709 15.117 1.00 1.00 H new ATOM 0 HG LEU A 109 11.588 20.880 13.838 1.00 1.00 H new ATOM 0 HD11 LEU A 109 11.557 22.718 15.503 1.00 1.00 H new ATOM 0 HD12 LEU A 109 10.346 21.473 15.892 1.00 1.00 H new ATOM 0 HD13 LEU A 109 11.873 21.545 16.803 1.00 1.00 H new ATOM 0 HD21 LEU A 109 13.697 22.085 14.377 1.00 1.00 H new ATOM 0 HD22 LEU A 109 14.047 20.893 15.652 1.00 1.00 H new ATOM 0 HD23 LEU A 109 14.016 20.388 13.946 1.00 1.00 H new ATOM 1225 N VAL A 110 10.750 16.196 14.345 1.00 1.00 N ATOM 1226 CA VAL A 110 10.478 14.848 14.823 1.00 1.00 C ATOM 1227 C VAL A 110 11.775 14.060 14.921 1.00 1.00 C ATOM 1228 O VAL A 110 12.838 14.546 14.546 1.00 1.00 O ATOM 1229 CB VAL A 110 9.525 14.130 13.865 1.00 1.00 C ATOM 1230 CG1 VAL A 110 8.351 15.048 13.514 1.00 1.00 C ATOM 1231 CG2 VAL A 110 10.265 13.755 12.574 1.00 1.00 C ATOM 0 H VAL A 110 11.206 16.232 13.433 1.00 1.00 H new ATOM 0 HA VAL A 110 10.017 14.916 15.808 1.00 1.00 H new ATOM 0 HB VAL A 110 9.155 13.228 14.352 1.00 1.00 H new ATOM 0 HG11 VAL A 110 7.676 14.531 12.832 1.00 1.00 H new ATOM 0 HG12 VAL A 110 7.813 15.315 14.424 1.00 1.00 H new ATOM 0 HG13 VAL A 110 8.727 15.953 13.036 1.00 1.00 H new ATOM 0 HG21 VAL A 110 9.580 13.244 11.897 1.00 1.00 H new ATOM 0 HG22 VAL A 110 10.642 14.659 12.095 1.00 1.00 H new ATOM 0 HG23 VAL A 110 11.100 13.095 12.811 1.00 1.00 H new ATOM 1241 N LYS A 111 11.678 12.837 15.421 1.00 1.00 N ATOM 1242 CA LYS A 111 12.850 11.973 15.560 1.00 1.00 C ATOM 1243 C LYS A 111 12.829 10.863 14.516 1.00 1.00 C ATOM 1244 O LYS A 111 11.952 10.820 13.654 1.00 1.00 O ATOM 1245 CB LYS A 111 12.887 11.364 16.966 1.00 1.00 C ATOM 1246 CG LYS A 111 13.390 12.406 17.976 1.00 1.00 C ATOM 1247 CD LYS A 111 13.612 11.742 19.339 1.00 1.00 C ATOM 1248 CE LYS A 111 12.266 11.426 19.998 1.00 1.00 C ATOM 1249 NZ LYS A 111 12.487 11.084 21.426 1.00 1.00 N ATOM 0 H LYS A 111 10.804 12.418 15.738 1.00 1.00 H new ATOM 0 HA LYS A 111 13.744 12.578 15.405 1.00 1.00 H new ATOM 0 HB2 LYS A 111 11.892 11.022 17.249 1.00 1.00 H new ATOM 0 HB3 LYS A 111 13.539 10.491 16.976 1.00 1.00 H new ATOM 0 HG2 LYS A 111 14.320 12.850 17.622 1.00 1.00 H new ATOM 0 HG3 LYS A 111 12.666 13.215 18.069 1.00 1.00 H new ATOM 0 HD2 LYS A 111 14.189 10.826 19.216 1.00 1.00 H new ATOM 0 HD3 LYS A 111 14.195 12.401 19.982 1.00 1.00 H new ATOM 0 HE2 LYS A 111 11.598 12.284 19.917 1.00 1.00 H new ATOM 0 HE3 LYS A 111 11.782 10.595 19.484 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 11.575 10.869 21.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 13.110 10.254 21.492 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 12.931 11.890 21.911 1.00 1.00 H new ATOM 1263 N SER A 112 13.814 9.976 14.597 1.00 1.00 N ATOM 1264 CA SER A 112 13.917 8.872 13.652 1.00 1.00 C ATOM 1265 C SER A 112 12.674 7.993 13.718 1.00 1.00 C ATOM 1266 O SER A 112 12.163 7.550 12.691 1.00 1.00 O ATOM 1267 CB SER A 112 15.155 8.030 13.960 1.00 1.00 C ATOM 1268 OG SER A 112 15.463 7.224 12.829 1.00 1.00 O ATOM 0 H SER A 112 14.549 10.000 15.304 1.00 1.00 H new ATOM 0 HA SER A 112 14.003 9.288 12.648 1.00 1.00 H new ATOM 0 HB2 SER A 112 15.999 8.676 14.202 1.00 1.00 H new ATOM 0 HB3 SER A 112 14.975 7.401 14.832 1.00 1.00 H new ATOM 0 HG SER A 112 15.761 7.796 12.091 1.00 1.00 H new ATOM 1274 N ALA A 113 12.196 7.742 14.931 1.00 1.00 N ATOM 1275 CA ALA A 113 11.014 6.910 15.114 1.00 1.00 C ATOM 1276 C ALA A 113 9.871 7.399 14.230 1.00 1.00 C ATOM 1277 O ALA A 113 9.238 6.611 13.530 1.00 1.00 O ATOM 1278 CB ALA A 113 10.574 6.949 16.580 1.00 1.00 C ATOM 0 H ALA A 113 12.604 8.099 15.795 1.00 1.00 H new ATOM 0 HA ALA A 113 11.265 5.887 14.833 1.00 1.00 H new ATOM 0 HB1 ALA A 113 9.690 6.325 16.711 1.00 1.00 H new ATOM 0 HB2 ALA A 113 11.379 6.574 17.212 1.00 1.00 H new ATOM 0 HB3 ALA A 113 10.339 7.975 16.862 1.00 1.00 H new ATOM 1284 N TRP A 114 9.615 8.698 14.259 1.00 1.00 N ATOM 1285 CA TRP A 114 8.545 9.262 13.451 1.00 1.00 C ATOM 1286 C TRP A 114 8.725 8.873 11.995 1.00 1.00 C ATOM 1287 O TRP A 114 7.761 8.557 11.300 1.00 1.00 O ATOM 1288 CB TRP A 114 8.550 10.781 13.582 1.00 1.00 C ATOM 1289 CG TRP A 114 7.496 11.374 12.703 1.00 1.00 C ATOM 1290 CD1 TRP A 114 6.236 11.676 13.095 1.00 1.00 C ATOM 1291 CD2 TRP A 114 7.584 11.742 11.294 1.00 1.00 C ATOM 1292 NE1 TRP A 114 5.552 12.210 12.020 1.00 1.00 N ATOM 1293 CE2 TRP A 114 6.335 12.265 10.888 1.00 1.00 C ATOM 1294 CE3 TRP A 114 8.613 11.673 10.337 1.00 1.00 C ATOM 1295 CZ2 TRP A 114 6.114 12.705 9.584 1.00 1.00 C ATOM 1296 CZ3 TRP A 114 8.394 12.122 9.025 1.00 1.00 C ATOM 1297 CH2 TRP A 114 7.148 12.633 8.650 1.00 1.00 C ATOM 0 H TRP A 114 10.127 9.374 14.826 1.00 1.00 H new ATOM 0 HA TRP A 114 7.591 8.870 13.805 1.00 1.00 H new ATOM 0 HB2 TRP A 114 8.372 11.065 14.619 1.00 1.00 H new ATOM 0 HB3 TRP A 114 9.528 11.175 13.307 1.00 1.00 H new ATOM 0 HD1 TRP A 114 5.832 11.524 14.085 1.00 1.00 H new ATOM 0 HE1 TRP A 114 4.583 12.526 12.060 1.00 1.00 H new ATOM 0 HE3 TRP A 114 9.577 11.272 10.613 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 5.150 13.099 9.299 1.00 1.00 H new ATOM 0 HZ3 TRP A 114 9.193 12.072 8.301 1.00 1.00 H new ATOM 0 HH2 TRP A 114 6.986 12.972 7.637 1.00 1.00 H new ATOM 1308 N LEU A 115 9.962 8.911 11.530 1.00 1.00 N ATOM 1309 CA LEU A 115 10.232 8.567 10.143 1.00 1.00 C ATOM 1310 C LEU A 115 9.837 7.118 9.875 1.00 1.00 C ATOM 1311 O LEU A 115 9.046 6.830 8.977 1.00 1.00 O ATOM 1312 CB LEU A 115 11.728 8.764 9.837 1.00 1.00 C ATOM 1313 CG LEU A 115 11.932 9.050 8.342 1.00 1.00 C ATOM 1314 CD1 LEU A 115 11.323 7.933 7.502 1.00 1.00 C ATOM 1315 CD2 LEU A 115 11.296 10.402 7.954 1.00 1.00 C ATOM 0 H LEU A 115 10.781 9.171 12.079 1.00 1.00 H new ATOM 0 HA LEU A 115 9.644 9.219 9.497 1.00 1.00 H new ATOM 0 HB2 LEU A 115 12.122 9.590 10.429 1.00 1.00 H new ATOM 0 HB3 LEU A 115 12.285 7.872 10.123 1.00 1.00 H new ATOM 0 HG LEU A 115 13.003 9.099 8.148 1.00 1.00 H new ATOM 0 HD11 LEU A 115 11.475 8.149 6.444 1.00 1.00 H new ATOM 0 HD12 LEU A 115 11.803 6.987 7.752 1.00 1.00 H new ATOM 0 HD13 LEU A 115 10.255 7.864 7.708 1.00 1.00 H new ATOM 0 HD21 LEU A 115 11.452 10.586 6.891 1.00 1.00 H new ATOM 0 HD22 LEU A 115 10.227 10.375 8.165 1.00 1.00 H new ATOM 0 HD23 LEU A 115 11.760 11.201 8.532 1.00 1.00 H new ATOM 1327 N SER A 116 10.391 6.204 10.660 1.00 1.00 N ATOM 1328 CA SER A 116 10.094 4.796 10.481 1.00 1.00 C ATOM 1329 C SER A 116 8.588 4.593 10.394 1.00 1.00 C ATOM 1330 O SER A 116 8.097 3.844 9.553 1.00 1.00 O ATOM 1331 CB SER A 116 10.659 3.997 11.654 1.00 1.00 C ATOM 1332 OG SER A 116 10.067 4.456 12.860 1.00 1.00 O ATOM 0 H SER A 116 11.041 6.412 11.418 1.00 1.00 H new ATOM 0 HA SER A 116 10.554 4.447 9.556 1.00 1.00 H new ATOM 0 HB2 SER A 116 10.457 2.935 11.517 1.00 1.00 H new ATOM 0 HB3 SER A 116 11.742 4.112 11.700 1.00 1.00 H new ATOM 0 HG SER A 116 9.938 5.426 12.812 1.00 1.00 H new ATOM 1338 N LEU A 117 7.855 5.278 11.260 1.00 1.00 N ATOM 1339 CA LEU A 117 6.403 5.164 11.250 1.00 1.00 C ATOM 1340 C LEU A 117 5.852 5.681 9.929 1.00 1.00 C ATOM 1341 O LEU A 117 5.131 4.975 9.228 1.00 1.00 O ATOM 1342 CB LEU A 117 5.807 5.963 12.430 1.00 1.00 C ATOM 1343 CG LEU A 117 5.630 5.064 13.661 1.00 1.00 C ATOM 1344 CD1 LEU A 117 6.995 4.614 14.180 1.00 1.00 C ATOM 1345 CD2 LEU A 117 4.900 5.846 14.751 1.00 1.00 C ATOM 0 H LEU A 117 8.233 5.908 11.967 1.00 1.00 H new ATOM 0 HA LEU A 117 6.124 4.116 11.359 1.00 1.00 H new ATOM 0 HB2 LEU A 117 6.461 6.800 12.676 1.00 1.00 H new ATOM 0 HB3 LEU A 117 4.845 6.385 12.140 1.00 1.00 H new ATOM 0 HG LEU A 117 5.049 4.184 13.386 1.00 1.00 H new ATOM 0 HD11 LEU A 117 6.860 3.976 15.054 1.00 1.00 H new ATOM 0 HD12 LEU A 117 7.515 4.057 13.401 1.00 1.00 H new ATOM 0 HD13 LEU A 117 7.585 5.488 14.456 1.00 1.00 H new ATOM 0 HD21 LEU A 117 4.771 5.213 15.629 1.00 1.00 H new ATOM 0 HD22 LEU A 117 5.484 6.726 15.021 1.00 1.00 H new ATOM 0 HD23 LEU A 117 3.923 6.158 14.382 1.00 1.00 H new ATOM 1357 N CYS A 118 6.187 6.919 9.597 1.00 1.00 N ATOM 1358 CA CYS A 118 5.702 7.518 8.360 1.00 1.00 C ATOM 1359 C CYS A 118 5.839 6.515 7.217 1.00 1.00 C ATOM 1360 O CYS A 118 5.019 6.482 6.301 1.00 1.00 O ATOM 1361 CB CYS A 118 6.500 8.810 8.059 1.00 1.00 C ATOM 1362 SG CYS A 118 5.391 10.247 8.013 1.00 1.00 S ATOM 0 H CYS A 118 6.786 7.524 10.159 1.00 1.00 H new ATOM 0 HA CYS A 118 4.649 7.780 8.466 1.00 1.00 H new ATOM 0 HB2 CYS A 118 7.265 8.958 8.821 1.00 1.00 H new ATOM 0 HB3 CYS A 118 7.017 8.711 7.104 1.00 1.00 H new ATOM 0 HG CYS A 118 6.012 11.290 8.479 1.00 1.00 H new ATOM 1368 N LEU A 119 6.883 5.701 7.292 1.00 1.00 N ATOM 1369 CA LEU A 119 7.116 4.697 6.263 1.00 1.00 C ATOM 1370 C LEU A 119 6.183 3.506 6.435 1.00 1.00 C ATOM 1371 O LEU A 119 5.515 3.086 5.492 1.00 1.00 O ATOM 1372 CB LEU A 119 8.565 4.219 6.323 1.00 1.00 C ATOM 1373 CG LEU A 119 9.501 5.368 5.936 1.00 1.00 C ATOM 1374 CD1 LEU A 119 10.950 4.950 6.210 1.00 1.00 C ATOM 1375 CD2 LEU A 119 9.331 5.732 4.444 1.00 1.00 C ATOM 0 H LEU A 119 7.573 5.715 8.043 1.00 1.00 H new ATOM 0 HA LEU A 119 6.917 5.155 5.294 1.00 1.00 H new ATOM 0 HB2 LEU A 119 8.801 3.867 7.327 1.00 1.00 H new ATOM 0 HB3 LEU A 119 8.709 3.376 5.647 1.00 1.00 H new ATOM 0 HG LEU A 119 9.251 6.246 6.532 1.00 1.00 H new ATOM 0 HD11 LEU A 119 11.621 5.764 5.936 1.00 1.00 H new ATOM 0 HD12 LEU A 119 11.069 4.722 7.269 1.00 1.00 H new ATOM 0 HD13 LEU A 119 11.192 4.066 5.619 1.00 1.00 H new ATOM 0 HD21 LEU A 119 10.005 6.550 4.190 1.00 1.00 H new ATOM 0 HD22 LEU A 119 9.566 4.864 3.829 1.00 1.00 H new ATOM 0 HD23 LEU A 119 8.302 6.039 4.259 1.00 1.00 H new ATOM 1387 N GLN A 120 6.148 2.960 7.639 1.00 1.00 N ATOM 1388 CA GLN A 120 5.299 1.806 7.916 1.00 1.00 C ATOM 1389 C GLN A 120 3.822 2.163 7.795 1.00 1.00 C ATOM 1390 O GLN A 120 3.056 1.459 7.136 1.00 1.00 O ATOM 1391 CB GLN A 120 5.570 1.293 9.331 1.00 1.00 C ATOM 1392 CG GLN A 120 7.012 0.807 9.435 1.00 1.00 C ATOM 1393 CD GLN A 120 7.216 -0.432 8.570 1.00 1.00 C ATOM 1394 OE1 GLN A 120 6.386 -1.341 8.582 1.00 1.00 O ATOM 1395 NE2 GLN A 120 8.280 -0.525 7.822 1.00 1.00 N ATOM 0 H GLN A 120 6.691 3.291 8.436 1.00 1.00 H new ATOM 0 HA GLN A 120 5.534 1.035 7.182 1.00 1.00 H new ATOM 0 HB2 GLN A 120 5.390 2.087 10.056 1.00 1.00 H new ATOM 0 HB3 GLN A 120 4.884 0.481 9.571 1.00 1.00 H new ATOM 0 HG2 GLN A 120 7.693 1.597 9.118 1.00 1.00 H new ATOM 0 HG3 GLN A 120 7.252 0.578 10.473 1.00 1.00 H new ATOM 0 HE21 GLN A 120 8.966 0.230 7.814 1.00 1.00 H new ATOM 0 HE22 GLN A 120 8.427 -1.353 7.244 1.00 1.00 H new ATOM 1404 N GLU A 121 3.424 3.255 8.437 1.00 1.00 N ATOM 1405 CA GLU A 121 2.035 3.680 8.406 1.00 1.00 C ATOM 1406 C GLU A 121 1.719 4.355 7.078 1.00 1.00 C ATOM 1407 O GLU A 121 0.592 4.788 6.846 1.00 1.00 O ATOM 1408 CB GLU A 121 1.771 4.652 9.559 1.00 1.00 C ATOM 1409 CG GLU A 121 2.252 4.038 10.867 1.00 1.00 C ATOM 1410 CD GLU A 121 1.447 2.784 11.176 1.00 1.00 C ATOM 1411 OE1 GLU A 121 0.350 2.665 10.656 1.00 1.00 O ATOM 1412 OE2 GLU A 121 1.934 1.964 11.936 1.00 1.00 O ATOM 0 H GLU A 121 4.041 3.857 8.982 1.00 1.00 H new ATOM 0 HA GLU A 121 1.394 2.805 8.515 1.00 1.00 H new ATOM 0 HB2 GLU A 121 2.286 5.595 9.378 1.00 1.00 H new ATOM 0 HB3 GLU A 121 0.706 4.877 9.621 1.00 1.00 H new ATOM 0 HG2 GLU A 121 3.312 3.792 10.796 1.00 1.00 H new ATOM 0 HG3 GLU A 121 2.146 4.758 11.678 1.00 1.00 H new ATOM 1419 N ARG A 122 2.713 4.412 6.198 1.00 1.00 N ATOM 1420 CA ARG A 122 2.530 5.025 4.879 1.00 1.00 C ATOM 1421 C ARG A 122 1.650 6.273 4.983 1.00 1.00 C ATOM 1422 O ARG A 122 0.901 6.597 4.065 1.00 1.00 O ATOM 1423 CB ARG A 122 1.894 4.004 3.899 1.00 1.00 C ATOM 1424 CG ARG A 122 2.643 4.004 2.557 1.00 1.00 C ATOM 1425 CD ARG A 122 3.919 3.171 2.680 1.00 1.00 C ATOM 1426 NE ARG A 122 4.608 3.112 1.404 1.00 1.00 N ATOM 1427 CZ ARG A 122 5.764 2.476 1.283 1.00 1.00 C ATOM 1428 NH1 ARG A 122 6.304 1.899 2.322 1.00 1.00 N ATOM 1429 NH2 ARG A 122 6.363 2.434 0.127 1.00 1.00 N ATOM 0 H ARG A 122 3.649 4.045 6.368 1.00 1.00 H new ATOM 0 HA ARG A 122 3.507 5.321 4.497 1.00 1.00 H new ATOM 0 HB2 ARG A 122 1.921 3.006 4.337 1.00 1.00 H new ATOM 0 HB3 ARG A 122 0.845 4.252 3.736 1.00 1.00 H new ATOM 0 HG2 ARG A 122 2.005 3.596 1.773 1.00 1.00 H new ATOM 0 HG3 ARG A 122 2.890 5.025 2.267 1.00 1.00 H new ATOM 0 HD2 ARG A 122 4.574 3.606 3.435 1.00 1.00 H new ATOM 0 HD3 ARG A 122 3.673 2.163 3.015 1.00 1.00 H new ATOM 0 HE ARG A 122 4.196 3.567 0.589 1.00 1.00 H new ATOM 0 HH11 ARG A 122 5.836 1.938 3.227 1.00 1.00 H new ATOM 0 HH12 ARG A 122 7.194 1.409 2.228 1.00 1.00 H new ATOM 0 HH21 ARG A 122 5.942 2.890 -0.682 1.00 1.00 H new ATOM 0 HH22 ARG A 122 7.253 1.945 0.031 1.00 1.00 H new ATOM 1443 N ARG A 123 1.748 6.962 6.107 1.00 1.00 N ATOM 1444 CA ARG A 123 0.956 8.166 6.320 1.00 1.00 C ATOM 1445 C ARG A 123 1.601 9.038 7.380 1.00 1.00 C ATOM 1446 O ARG A 123 2.587 8.653 7.999 1.00 1.00 O ATOM 1447 CB ARG A 123 -0.456 7.777 6.764 1.00 1.00 C ATOM 1448 CG ARG A 123 -0.383 6.941 8.074 1.00 1.00 C ATOM 1449 CD ARG A 123 -0.767 7.789 9.283 1.00 1.00 C ATOM 1450 NE ARG A 123 -0.882 6.961 10.473 1.00 1.00 N ATOM 1451 CZ ARG A 123 -1.390 7.457 11.593 1.00 1.00 C ATOM 1452 NH1 ARG A 123 -1.791 8.701 11.634 1.00 1.00 N ATOM 1453 NH2 ARG A 123 -1.486 6.706 12.651 1.00 1.00 N ATOM 0 H ARG A 123 2.362 6.713 6.882 1.00 1.00 H new ATOM 0 HA ARG A 123 0.905 8.726 5.386 1.00 1.00 H new ATOM 0 HB2 ARG A 123 -1.056 8.672 6.926 1.00 1.00 H new ATOM 0 HB3 ARG A 123 -0.948 7.201 5.981 1.00 1.00 H new ATOM 0 HG2 ARG A 123 -1.051 6.083 8.000 1.00 1.00 H new ATOM 0 HG3 ARG A 123 0.626 6.550 8.205 1.00 1.00 H new ATOM 0 HD2 ARG A 123 -0.017 8.564 9.443 1.00 1.00 H new ATOM 0 HD3 ARG A 123 -1.713 8.296 9.093 1.00 1.00 H new ATOM 0 HE ARG A 123 -0.569 5.991 10.446 1.00 1.00 H new ATOM 0 HH11 ARG A 123 -1.713 9.290 10.805 1.00 1.00 H new ATOM 0 HH12 ARG A 123 -2.182 9.083 12.495 1.00 1.00 H new ATOM 0 HH21 ARG A 123 -1.171 5.737 12.619 1.00 1.00 H new ATOM 0 HH22 ARG A 123 -1.877 7.087 13.513 1.00 1.00 H new ATOM 1467 N LEU A 124 1.041 10.217 7.583 1.00 1.00 N ATOM 1468 CA LEU A 124 1.580 11.138 8.572 1.00 1.00 C ATOM 1469 C LEU A 124 1.085 10.788 9.968 1.00 1.00 C ATOM 1470 O LEU A 124 -0.119 10.683 10.202 1.00 1.00 O ATOM 1471 CB LEU A 124 1.158 12.561 8.227 1.00 1.00 C ATOM 1472 CG LEU A 124 1.794 13.573 9.224 1.00 1.00 C ATOM 1473 CD1 LEU A 124 2.272 14.820 8.473 1.00 1.00 C ATOM 1474 CD2 LEU A 124 0.763 13.990 10.289 1.00 1.00 C ATOM 0 H LEU A 124 0.221 10.559 7.082 1.00 1.00 H new ATOM 0 HA LEU A 124 2.667 11.059 8.560 1.00 1.00 H new ATOM 0 HB2 LEU A 124 1.465 12.802 7.209 1.00 1.00 H new ATOM 0 HB3 LEU A 124 0.072 12.643 8.260 1.00 1.00 H new ATOM 0 HG LEU A 124 2.643 13.092 9.710 1.00 1.00 H new ATOM 0 HD11 LEU A 124 2.715 15.522 9.179 1.00 1.00 H new ATOM 0 HD12 LEU A 124 3.016 14.534 7.730 1.00 1.00 H new ATOM 0 HD13 LEU A 124 1.425 15.292 7.975 1.00 1.00 H new ATOM 0 HD21 LEU A 124 1.220 14.698 10.980 1.00 1.00 H new ATOM 0 HD22 LEU A 124 -0.093 14.458 9.803 1.00 1.00 H new ATOM 0 HD23 LEU A 124 0.431 13.109 10.839 1.00 1.00 H new ATOM 1486 N VAL A 125 2.022 10.614 10.896 1.00 1.00 N ATOM 1487 CA VAL A 125 1.687 10.270 12.280 1.00 1.00 C ATOM 1488 C VAL A 125 1.952 11.454 13.205 1.00 1.00 C ATOM 1489 O VAL A 125 2.770 12.325 12.905 1.00 1.00 O ATOM 1490 CB VAL A 125 2.508 9.064 12.732 1.00 1.00 C ATOM 1491 CG1 VAL A 125 2.279 7.897 11.767 1.00 1.00 C ATOM 1492 CG2 VAL A 125 3.987 9.437 12.748 1.00 1.00 C ATOM 0 H VAL A 125 3.022 10.705 10.717 1.00 1.00 H new ATOM 0 HA VAL A 125 0.627 10.020 12.328 1.00 1.00 H new ATOM 0 HB VAL A 125 2.199 8.766 13.734 1.00 1.00 H new ATOM 0 HG11 VAL A 125 2.865 7.037 12.090 1.00 1.00 H new ATOM 0 HG12 VAL A 125 1.221 7.633 11.760 1.00 1.00 H new ATOM 0 HG13 VAL A 125 2.587 8.189 10.763 1.00 1.00 H new ATOM 0 HG21 VAL A 125 4.575 8.578 13.070 1.00 1.00 H new ATOM 0 HG22 VAL A 125 4.298 9.735 11.747 1.00 1.00 H new ATOM 0 HG23 VAL A 125 4.146 10.265 13.439 1.00 1.00 H new ATOM 1502 N ASP A 126 1.242 11.483 14.326 1.00 1.00 N ATOM 1503 CA ASP A 126 1.387 12.566 15.288 1.00 1.00 C ATOM 1504 C ASP A 126 2.806 12.593 15.832 1.00 1.00 C ATOM 1505 O ASP A 126 3.432 11.550 16.013 1.00 1.00 O ATOM 1506 CB ASP A 126 0.402 12.380 16.445 1.00 1.00 C ATOM 1507 CG ASP A 126 0.710 11.084 17.188 1.00 1.00 C ATOM 1508 OD1 ASP A 126 1.403 10.251 16.626 1.00 1.00 O ATOM 1509 OD2 ASP A 126 0.245 10.939 18.307 1.00 1.00 O ATOM 0 H ASP A 126 0.562 10.770 14.590 1.00 1.00 H new ATOM 0 HA ASP A 126 1.175 13.509 14.784 1.00 1.00 H new ATOM 0 HB2 ASP A 126 0.468 13.226 17.129 1.00 1.00 H new ATOM 0 HB3 ASP A 126 -0.619 12.357 16.064 1.00 1.00 H new ATOM 1514 N VAL A 127 3.314 13.797 16.084 1.00 1.00 N ATOM 1515 CA VAL A 127 4.670 13.964 16.600 1.00 1.00 C ATOM 1516 C VAL A 127 4.639 14.278 18.093 1.00 1.00 C ATOM 1517 O VAL A 127 5.652 14.663 18.675 1.00 1.00 O ATOM 1518 CB VAL A 127 5.372 15.098 15.847 1.00 1.00 C ATOM 1519 CG1 VAL A 127 5.144 14.934 14.343 1.00 1.00 C ATOM 1520 CG2 VAL A 127 4.819 16.453 16.299 1.00 1.00 C ATOM 0 H VAL A 127 2.808 14.670 15.939 1.00 1.00 H new ATOM 0 HA VAL A 127 5.218 13.034 16.451 1.00 1.00 H new ATOM 0 HB VAL A 127 6.440 15.057 16.063 1.00 1.00 H new ATOM 0 HG11 VAL A 127 5.644 15.742 13.809 1.00 1.00 H new ATOM 0 HG12 VAL A 127 5.550 13.977 14.016 1.00 1.00 H new ATOM 0 HG13 VAL A 127 4.075 14.966 14.131 1.00 1.00 H new ATOM 0 HG21 VAL A 127 5.325 17.252 15.757 1.00 1.00 H new ATOM 0 HG22 VAL A 127 3.749 16.496 16.093 1.00 1.00 H new ATOM 0 HG23 VAL A 127 4.988 16.576 17.369 1.00 1.00 H new ATOM 1530 N ALA A 128 3.468 14.120 18.701 1.00 1.00 N ATOM 1531 CA ALA A 128 3.317 14.396 20.123 1.00 1.00 C ATOM 1532 C ALA A 128 4.037 13.340 20.954 1.00 1.00 C ATOM 1533 O ALA A 128 3.447 12.726 21.843 1.00 1.00 O ATOM 1534 CB ALA A 128 1.835 14.419 20.497 1.00 1.00 C ATOM 0 H ALA A 128 2.617 13.805 18.235 1.00 1.00 H new ATOM 0 HA ALA A 128 3.759 15.370 20.333 1.00 1.00 H new ATOM 0 HB1 ALA A 128 1.732 14.626 21.562 1.00 1.00 H new ATOM 0 HB2 ALA A 128 1.328 15.196 19.925 1.00 1.00 H new ATOM 0 HB3 ALA A 128 1.388 13.451 20.270 1.00 1.00 H new ATOM 1540 N GLY A 129 5.314 13.134 20.659 1.00 1.00 N ATOM 1541 CA GLY A 129 6.106 12.150 21.386 1.00 1.00 C ATOM 1542 C GLY A 129 7.486 11.990 20.764 1.00 1.00 C ATOM 1543 O GLY A 129 8.471 11.760 21.466 1.00 1.00 O ATOM 0 H GLY A 129 5.821 13.631 19.927 1.00 1.00 H new ATOM 0 HA2 GLY A 129 6.206 12.457 22.427 1.00 1.00 H new ATOM 0 HA3 GLY A 129 5.590 11.190 21.385 1.00 1.00 H new ATOM 1547 N PHE A 130 7.555 12.112 19.438 1.00 1.00 N ATOM 1548 CA PHE A 130 8.824 11.981 18.724 1.00 1.00 C ATOM 1549 C PHE A 130 9.397 13.352 18.391 1.00 1.00 C ATOM 1550 O PHE A 130 10.401 13.466 17.691 1.00 1.00 O ATOM 1551 CB PHE A 130 8.613 11.199 17.434 1.00 1.00 C ATOM 1552 CG PHE A 130 7.893 9.907 17.743 1.00 1.00 C ATOM 1553 CD1 PHE A 130 8.506 8.937 18.546 1.00 1.00 C ATOM 1554 CD2 PHE A 130 6.611 9.678 17.225 1.00 1.00 C ATOM 1555 CE1 PHE A 130 7.838 7.742 18.832 1.00 1.00 C ATOM 1556 CE2 PHE A 130 5.946 8.483 17.511 1.00 1.00 C ATOM 1557 CZ PHE A 130 6.557 7.514 18.315 1.00 1.00 C ATOM 0 H PHE A 130 6.751 12.300 18.840 1.00 1.00 H new ATOM 0 HA PHE A 130 9.526 11.450 19.367 1.00 1.00 H new ATOM 0 HB2 PHE A 130 8.032 11.792 16.727 1.00 1.00 H new ATOM 0 HB3 PHE A 130 9.573 10.989 16.962 1.00 1.00 H new ATOM 0 HD1 PHE A 130 9.495 9.112 18.944 1.00 1.00 H new ATOM 0 HD2 PHE A 130 6.137 10.425 16.605 1.00 1.00 H new ATOM 0 HE1 PHE A 130 8.311 6.995 19.452 1.00 1.00 H new ATOM 0 HE2 PHE A 130 4.958 8.307 17.111 1.00 1.00 H new ATOM 0 HZ PHE A 130 6.041 6.591 18.536 1.00 1.00 H new ATOM 1567 N SER A 131 8.742 14.395 18.894 1.00 1.00 N ATOM 1568 CA SER A 131 9.186 15.772 18.656 1.00 1.00 C ATOM 1569 C SER A 131 9.974 16.312 19.839 1.00 1.00 C ATOM 1570 O SER A 131 9.649 16.041 20.995 1.00 1.00 O ATOM 1571 CB SER A 131 7.985 16.671 18.379 1.00 1.00 C ATOM 1572 OG SER A 131 8.362 18.030 18.564 1.00 1.00 O ATOM 0 H SER A 131 7.903 14.317 19.469 1.00 1.00 H new ATOM 0 HA SER A 131 9.842 15.766 17.786 1.00 1.00 H new ATOM 0 HB2 SER A 131 7.628 16.516 17.361 1.00 1.00 H new ATOM 0 HB3 SER A 131 7.163 16.415 19.048 1.00 1.00 H new ATOM 0 HG SER A 131 8.993 18.293 17.862 1.00 1.00 H new ATOM 1578 N ILE A 132 11.024 17.074 19.533 1.00 1.00 N ATOM 1579 CA ILE A 132 11.867 17.643 20.577 1.00 1.00 C ATOM 1580 C ILE A 132 11.320 18.975 21.019 1.00 1.00 C ATOM 1581 O ILE A 132 11.058 19.171 22.199 1.00 1.00 O ATOM 1582 CB ILE A 132 13.290 17.828 20.056 1.00 1.00 C ATOM 1583 CG1 ILE A 132 13.822 16.477 19.572 1.00 1.00 C ATOM 1584 CG2 ILE A 132 14.183 18.346 21.192 1.00 1.00 C ATOM 1585 CD1 ILE A 132 15.036 16.689 18.668 1.00 1.00 C ATOM 0 H ILE A 132 11.307 17.308 18.581 1.00 1.00 H new ATOM 0 HA ILE A 132 11.877 16.960 21.426 1.00 1.00 H new ATOM 0 HB ILE A 132 13.293 18.544 19.234 1.00 1.00 H new ATOM 0 HG12 ILE A 132 14.097 15.858 20.426 1.00 1.00 H new ATOM 0 HG13 ILE A 132 13.042 15.943 19.029 1.00 1.00 H new ATOM 0 HG21 ILE A 132 15.200 18.479 20.823 1.00 1.00 H new ATOM 0 HG22 ILE A 132 13.799 19.301 21.550 1.00 1.00 H new ATOM 0 HG23 ILE A 132 14.185 17.626 22.010 1.00 1.00 H new ATOM 0 HD11 ILE A 132 15.409 15.723 18.327 1.00 1.00 H new ATOM 0 HD12 ILE A 132 14.747 17.291 17.806 1.00 1.00 H new ATOM 0 HD13 ILE A 132 15.819 17.204 19.225 1.00 1.00 H new ATOM 1597 N PHE A 133 11.158 19.874 20.056 1.00 1.00 N ATOM 1598 CA PHE A 133 10.635 21.210 20.322 1.00 1.00 C ATOM 1599 C PHE A 133 11.589 22.019 21.189 1.00 1.00 C ATOM 1600 O PHE A 133 11.753 23.205 20.950 1.00 1.00 O ATOM 1601 CB PHE A 133 9.241 21.134 20.989 1.00 1.00 C ATOM 1602 CG PHE A 133 8.849 22.483 21.571 1.00 1.00 C ATOM 1603 CD1 PHE A 133 8.915 23.635 20.777 1.00 1.00 C ATOM 1604 CD2 PHE A 133 8.423 22.578 22.905 1.00 1.00 C ATOM 1605 CE1 PHE A 133 8.557 24.874 21.313 1.00 1.00 C ATOM 1606 CE2 PHE A 133 8.065 23.820 23.437 1.00 1.00 C ATOM 1607 CZ PHE A 133 8.134 24.967 22.642 1.00 1.00 C ATOM 0 H PHE A 133 11.383 19.701 19.076 1.00 1.00 H new ATOM 0 HA PHE A 133 10.536 21.718 19.363 1.00 1.00 H new ATOM 0 HB2 PHE A 133 8.498 20.819 20.256 1.00 1.00 H new ATOM 0 HB3 PHE A 133 9.250 20.381 21.777 1.00 1.00 H new ATOM 0 HD1 PHE A 133 9.243 23.565 19.750 1.00 1.00 H new ATOM 0 HD2 PHE A 133 8.372 21.692 23.520 1.00 1.00 H new ATOM 0 HE1 PHE A 133 8.607 25.762 20.700 1.00 1.00 H new ATOM 0 HE2 PHE A 133 7.735 23.893 24.463 1.00 1.00 H new ATOM 0 HZ PHE A 133 7.860 25.927 23.055 1.00 1.00 H new ATOM 1617 N ILE A 134 12.178 21.355 22.194 1.00 1.00 N ATOM 1618 CA ILE A 134 13.103 21.966 23.149 1.00 1.00 C ATOM 1619 C ILE A 134 13.182 21.111 24.420 1.00 1.00 C ATOM 1620 O ILE A 134 14.272 20.741 24.851 1.00 1.00 O ATOM 1621 CB ILE A 134 12.652 23.414 23.504 1.00 1.00 C ATOM 1622 CG1 ILE A 134 13.385 24.417 22.601 1.00 1.00 C ATOM 1623 CG2 ILE A 134 12.938 23.760 24.995 1.00 1.00 C ATOM 1624 CD1 ILE A 134 14.743 24.782 23.191 1.00 1.00 C ATOM 0 H ILE A 134 12.020 20.362 22.366 1.00 1.00 H new ATOM 0 HA ILE A 134 14.091 22.017 22.691 1.00 1.00 H new ATOM 0 HB ILE A 134 11.576 23.476 23.344 1.00 1.00 H new ATOM 0 HG12 ILE A 134 13.518 23.989 21.607 1.00 1.00 H new ATOM 0 HG13 ILE A 134 12.781 25.316 22.483 1.00 1.00 H new ATOM 0 HG21 ILE A 134 12.609 24.778 25.202 1.00 1.00 H new ATOM 0 HG22 ILE A 134 12.398 23.066 25.640 1.00 1.00 H new ATOM 0 HG23 ILE A 134 14.007 23.678 25.189 1.00 1.00 H new ATOM 0 HD11 ILE A 134 15.245 25.493 22.535 1.00 1.00 H new ATOM 0 HD12 ILE A 134 14.604 25.231 24.175 1.00 1.00 H new ATOM 0 HD13 ILE A 134 15.352 23.883 23.285 1.00 1.00 H new ATOM 1636 N PRO A 135 12.062 20.823 25.045 1.00 1.00 N ATOM 1637 CA PRO A 135 12.040 20.039 26.313 1.00 1.00 C ATOM 1638 C PRO A 135 12.587 18.628 26.120 1.00 1.00 C ATOM 1639 O PRO A 135 12.433 18.098 25.034 1.00 1.00 O ATOM 1640 CB PRO A 135 10.549 20.029 26.710 1.00 1.00 C ATOM 1641 CG PRO A 135 9.807 20.277 25.440 1.00 1.00 C ATOM 1642 CD PRO A 135 10.697 21.190 24.617 1.00 1.00 C ATOM 1643 OXT PRO A 135 13.155 18.096 27.063 1.00 1.00 O ATOM 0 HA PRO A 135 12.676 20.474 27.084 1.00 1.00 H new ATOM 0 HB2 PRO A 135 10.265 19.074 27.152 1.00 1.00 H new ATOM 0 HB3 PRO A 135 10.333 20.800 27.450 1.00 1.00 H new ATOM 0 HG2 PRO A 135 9.610 19.343 24.913 1.00 1.00 H new ATOM 0 HG3 PRO A 135 8.841 20.743 25.635 1.00 1.00 H new ATOM 0 HD2 PRO A 135 10.556 21.031 23.548 1.00 1.00 H new ATOM 0 HD3 PRO A 135 10.484 22.241 24.813 1.00 1.00 H new