USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=16 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 -80:sc= 0.212 USER MOD Set 1.2: A 82 HIS : no HD1:sc= -0.768 K(o=-0.56,f=-3.4!) USER MOD Set 2.1: A 42 SER OG : rot 82:sc= 0.604 USER MOD Set 2.2: A 71 GLN : amide:sc= -5.2! C(o=-4.6!,f=-6.9!) USER MOD Single : A 43 SER OG : rot 16:sc= 0.256! USER MOD Single : A 47 HIS : no HD1:sc= -0.497 K(o=-0.5,f=-1.6) USER MOD Single : A 51 THR OG1 : rot -150:sc= -2.48! USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.19 (180deg=-0.988) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.828 F(o=-2.4!,f=-0.83) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.24 F(o=-1.3,f=-0.24) USER MOD Single : A 68 HIS : no HE2:sc= -4.93! C(o=-4.9!,f=-8.1!) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.56 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 89 MET CE :methyl 169:sc= -4.1! (180deg=-4.48!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.56 K(o=-0.56,f=-1.7) USER MOD Single : A 111 LYS NZ :NH3+ -105:sc= -11.1! (180deg=-15.4!) USER MOD Single : A 112 SER OG : rot -150:sc= -0.37 USER MOD Single : A 116 SER OG : rot -35:sc= 0.3 USER MOD Single : A 118 CYS SG : rot 139:sc= -4.52! USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 39 3.182 7.888 -3.691 1.00 1.00 N ATOM 109 CA GLU A 39 3.282 9.333 -3.542 1.00 1.00 C ATOM 110 C GLU A 39 2.432 9.807 -2.367 1.00 1.00 C ATOM 111 O GLU A 39 1.473 10.557 -2.544 1.00 1.00 O ATOM 112 CB GLU A 39 2.812 10.022 -4.821 1.00 1.00 C ATOM 113 CG GLU A 39 3.213 11.496 -4.778 1.00 1.00 C ATOM 114 CD GLU A 39 2.735 12.202 -6.042 1.00 1.00 C ATOM 115 OE1 GLU A 39 1.951 11.612 -6.766 1.00 1.00 O ATOM 116 OE2 GLU A 39 3.159 13.324 -6.266 1.00 1.00 O ATOM 0 HA GLU A 39 4.324 9.590 -3.352 1.00 1.00 H new ATOM 0 HB2 GLU A 39 3.254 9.538 -5.692 1.00 1.00 H new ATOM 0 HB3 GLU A 39 1.730 9.930 -4.921 1.00 1.00 H new ATOM 0 HG2 GLU A 39 2.781 11.974 -3.899 1.00 1.00 H new ATOM 0 HG3 GLU A 39 4.296 11.585 -4.689 1.00 1.00 H new ATOM 123 N TRP A 40 2.790 9.359 -1.163 1.00 1.00 N ATOM 124 CA TRP A 40 2.057 9.736 0.049 1.00 1.00 C ATOM 125 C TRP A 40 2.873 10.718 0.884 1.00 1.00 C ATOM 126 O TRP A 40 2.318 11.588 1.554 1.00 1.00 O ATOM 127 CB TRP A 40 1.737 8.477 0.872 1.00 1.00 C ATOM 128 CG TRP A 40 2.848 7.491 0.727 1.00 1.00 C ATOM 129 CD1 TRP A 40 3.006 6.652 -0.323 1.00 1.00 C ATOM 130 CD2 TRP A 40 3.954 7.222 1.634 1.00 1.00 C ATOM 131 NE1 TRP A 40 4.138 5.888 -0.118 1.00 1.00 N ATOM 132 CE2 TRP A 40 4.756 6.202 1.074 1.00 1.00 C ATOM 133 CE3 TRP A 40 4.333 7.758 2.876 1.00 1.00 C ATOM 134 CZ2 TRP A 40 5.896 5.732 1.720 1.00 1.00 C ATOM 135 CZ3 TRP A 40 5.482 7.288 3.529 1.00 1.00 C ATOM 136 CH2 TRP A 40 6.259 6.277 2.953 1.00 1.00 C ATOM 0 H TRP A 40 3.581 8.736 -1.000 1.00 1.00 H new ATOM 0 HA TRP A 40 1.125 10.223 -0.239 1.00 1.00 H new ATOM 0 HB2 TRP A 40 1.605 8.740 1.922 1.00 1.00 H new ATOM 0 HB3 TRP A 40 0.799 8.037 0.533 1.00 1.00 H new ATOM 0 HD1 TRP A 40 2.353 6.590 -1.181 1.00 1.00 H new ATOM 0 HE1 TRP A 40 4.476 5.179 -0.768 1.00 1.00 H new ATOM 0 HE3 TRP A 40 3.737 8.536 3.330 1.00 1.00 H new ATOM 0 HZ2 TRP A 40 6.494 4.953 1.271 1.00 1.00 H new ATOM 0 HZ3 TRP A 40 5.768 7.709 4.482 1.00 1.00 H new ATOM 0 HH2 TRP A 40 7.141 5.918 3.463 1.00 1.00 H new ATOM 147 N LEU A 41 4.192 10.575 0.841 1.00 1.00 N ATOM 148 CA LEU A 41 5.067 11.458 1.605 1.00 1.00 C ATOM 149 C LEU A 41 5.238 12.794 0.891 1.00 1.00 C ATOM 150 O LEU A 41 5.793 13.742 1.444 1.00 1.00 O ATOM 151 CB LEU A 41 6.442 10.777 1.819 1.00 1.00 C ATOM 152 CG LEU A 41 6.592 10.314 3.278 1.00 1.00 C ATOM 153 CD1 LEU A 41 7.728 9.291 3.387 1.00 1.00 C ATOM 154 CD2 LEU A 41 6.921 11.522 4.163 1.00 1.00 C ATOM 0 H LEU A 41 4.676 9.865 0.292 1.00 1.00 H new ATOM 0 HA LEU A 41 4.612 11.650 2.577 1.00 1.00 H new ATOM 0 HB2 LEU A 41 6.540 9.923 1.148 1.00 1.00 H new ATOM 0 HB3 LEU A 41 7.242 11.473 1.568 1.00 1.00 H new ATOM 0 HG LEU A 41 5.659 9.856 3.605 1.00 1.00 H new ATOM 0 HD11 LEU A 41 7.828 8.968 4.423 1.00 1.00 H new ATOM 0 HD12 LEU A 41 7.503 8.429 2.758 1.00 1.00 H new ATOM 0 HD13 LEU A 41 8.661 9.747 3.057 1.00 1.00 H new ATOM 0 HD21 LEU A 41 7.028 11.197 5.198 1.00 1.00 H new ATOM 0 HD22 LEU A 41 7.853 11.976 3.827 1.00 1.00 H new ATOM 0 HD23 LEU A 41 6.116 12.254 4.094 1.00 1.00 H new ATOM 166 N SER A 42 4.759 12.860 -0.336 1.00 1.00 N ATOM 167 CA SER A 42 4.869 14.085 -1.111 1.00 1.00 C ATOM 168 C SER A 42 4.015 15.189 -0.502 1.00 1.00 C ATOM 169 O SER A 42 4.251 16.373 -0.738 1.00 1.00 O ATOM 170 CB SER A 42 4.438 13.821 -2.546 1.00 1.00 C ATOM 171 OG SER A 42 4.970 14.833 -3.391 1.00 1.00 O ATOM 0 H SER A 42 4.294 12.089 -0.816 1.00 1.00 H new ATOM 0 HA SER A 42 5.908 14.414 -1.099 1.00 1.00 H new ATOM 0 HB2 SER A 42 4.789 12.841 -2.868 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.350 13.809 -2.615 1.00 1.00 H new ATOM 0 HG SER A 42 5.900 14.617 -3.614 1.00 1.00 H new ATOM 177 N SER A 43 3.023 14.789 0.280 1.00 1.00 N ATOM 178 CA SER A 43 2.132 15.749 0.917 1.00 1.00 C ATOM 179 C SER A 43 2.897 16.632 1.897 1.00 1.00 C ATOM 180 O SER A 43 2.401 17.672 2.328 1.00 1.00 O ATOM 181 CB SER A 43 1.013 15.011 1.657 1.00 1.00 C ATOM 182 OG SER A 43 0.498 15.850 2.682 1.00 1.00 O ATOM 0 H SER A 43 2.815 13.812 0.488 1.00 1.00 H new ATOM 0 HA SER A 43 1.701 16.382 0.141 1.00 1.00 H new ATOM 0 HB2 SER A 43 0.220 14.738 0.961 1.00 1.00 H new ATOM 0 HB3 SER A 43 1.394 14.084 2.086 1.00 1.00 H new ATOM 0 HG SER A 43 0.785 16.774 2.524 1.00 1.00 H new ATOM 188 N LEU A 44 4.104 16.204 2.255 1.00 1.00 N ATOM 189 CA LEU A 44 4.939 16.951 3.191 1.00 1.00 C ATOM 190 C LEU A 44 6.388 16.962 2.718 1.00 1.00 C ATOM 191 O LEU A 44 6.754 16.237 1.794 1.00 1.00 O ATOM 192 CB LEU A 44 4.863 16.319 4.580 1.00 1.00 C ATOM 193 CG LEU A 44 5.126 14.796 4.481 1.00 1.00 C ATOM 194 CD1 LEU A 44 5.842 14.301 5.746 1.00 1.00 C ATOM 195 CD2 LEU A 44 3.799 14.029 4.313 1.00 1.00 C ATOM 0 H LEU A 44 4.527 15.342 1.910 1.00 1.00 H new ATOM 0 HA LEU A 44 4.572 17.976 3.238 1.00 1.00 H new ATOM 0 HB2 LEU A 44 5.597 16.781 5.240 1.00 1.00 H new ATOM 0 HB3 LEU A 44 3.881 16.500 5.018 1.00 1.00 H new ATOM 0 HG LEU A 44 5.756 14.613 3.611 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.022 13.229 5.666 1.00 1.00 H new ATOM 0 HD12 LEU A 44 6.793 14.822 5.853 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.219 14.500 6.618 1.00 1.00 H new ATOM 0 HD21 LEU A 44 4.003 12.960 4.245 1.00 1.00 H new ATOM 0 HD22 LEU A 44 3.156 14.222 5.172 1.00 1.00 H new ATOM 0 HD23 LEU A 44 3.299 14.362 3.403 1.00 1.00 H new ATOM 207 N ARG A 45 7.211 17.787 3.363 1.00 1.00 N ATOM 208 CA ARG A 45 8.627 17.892 3.013 1.00 1.00 C ATOM 209 C ARG A 45 9.499 17.494 4.199 1.00 1.00 C ATOM 210 O ARG A 45 9.611 18.237 5.175 1.00 1.00 O ATOM 211 CB ARG A 45 8.952 19.327 2.608 1.00 1.00 C ATOM 212 CG ARG A 45 8.165 19.682 1.349 1.00 1.00 C ATOM 213 CD ARG A 45 8.489 21.117 0.935 1.00 1.00 C ATOM 214 NE ARG A 45 7.691 21.498 -0.230 1.00 1.00 N ATOM 215 CZ ARG A 45 6.477 22.027 -0.092 1.00 1.00 C ATOM 216 NH1 ARG A 45 5.975 22.213 1.099 1.00 1.00 N ATOM 217 NH2 ARG A 45 5.785 22.359 -1.147 1.00 1.00 N ATOM 0 H ARG A 45 6.922 18.393 4.131 1.00 1.00 H new ATOM 0 HA ARG A 45 8.830 17.219 2.180 1.00 1.00 H new ATOM 0 HB2 ARG A 45 8.697 20.013 3.416 1.00 1.00 H new ATOM 0 HB3 ARG A 45 10.021 19.433 2.425 1.00 1.00 H new ATOM 0 HG2 ARG A 45 8.418 18.993 0.543 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.096 19.578 1.534 1.00 1.00 H new ATOM 0 HD2 ARG A 45 8.286 21.797 1.762 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.550 21.206 0.703 1.00 1.00 H new ATOM 0 HE ARG A 45 8.072 21.356 -1.166 1.00 1.00 H new ATOM 0 HH11 ARG A 45 6.513 21.953 1.926 1.00 1.00 H new ATOM 0 HH12 ARG A 45 5.045 22.618 1.203 1.00 1.00 H new ATOM 0 HH21 ARG A 45 6.174 22.213 -2.079 1.00 1.00 H new ATOM 0 HH22 ARG A 45 4.855 22.764 -1.040 1.00 1.00 H new ATOM 231 N ALA A 46 10.120 16.319 4.106 1.00 1.00 N ATOM 232 CA ALA A 46 10.989 15.830 5.176 1.00 1.00 C ATOM 233 C ALA A 46 12.431 16.247 4.906 1.00 1.00 C ATOM 234 O ALA A 46 12.842 16.395 3.755 1.00 1.00 O ATOM 235 CB ALA A 46 10.901 14.292 5.269 1.00 1.00 C ATOM 0 H ALA A 46 10.039 15.691 3.306 1.00 1.00 H new ATOM 0 HA ALA A 46 10.661 16.263 6.121 1.00 1.00 H new ATOM 0 HB1 ALA A 46 11.552 13.938 6.069 1.00 1.00 H new ATOM 0 HB2 ALA A 46 9.873 13.999 5.481 1.00 1.00 H new ATOM 0 HB3 ALA A 46 11.216 13.852 4.323 1.00 1.00 H new ATOM 241 N HIS A 47 13.197 16.418 5.979 1.00 1.00 N ATOM 242 CA HIS A 47 14.602 16.801 5.862 1.00 1.00 C ATOM 243 C HIS A 47 15.459 15.988 6.821 1.00 1.00 C ATOM 244 O HIS A 47 15.268 16.034 8.036 1.00 1.00 O ATOM 245 CB HIS A 47 14.760 18.288 6.165 1.00 1.00 C ATOM 246 CG HIS A 47 16.216 18.652 6.180 1.00 1.00 C ATOM 247 ND1 HIS A 47 16.998 18.525 7.316 1.00 1.00 N ATOM 248 CD2 HIS A 47 17.047 19.133 5.202 1.00 1.00 C ATOM 249 CE1 HIS A 47 18.243 18.922 6.996 1.00 1.00 C ATOM 250 NE2 HIS A 47 18.327 19.304 5.718 1.00 1.00 N ATOM 0 H HIS A 47 12.870 16.298 6.938 1.00 1.00 H new ATOM 0 HA HIS A 47 14.933 16.601 4.843 1.00 1.00 H new ATOM 0 HB2 HIS A 47 14.236 18.879 5.414 1.00 1.00 H new ATOM 0 HB3 HIS A 47 14.307 18.522 7.128 1.00 1.00 H new ATOM 0 HD2 HIS A 47 16.753 19.347 4.185 1.00 1.00 H new ATOM 0 HE1 HIS A 47 19.073 18.931 7.687 1.00 1.00 H new ATOM 0 HE2 HIS A 47 19.152 19.647 5.227 1.00 1.00 H new ATOM 259 N VAL A 48 16.418 15.258 6.264 1.00 1.00 N ATOM 260 CA VAL A 48 17.326 14.448 7.063 1.00 1.00 C ATOM 261 C VAL A 48 18.623 15.212 7.313 1.00 1.00 C ATOM 262 O VAL A 48 19.175 15.838 6.408 1.00 1.00 O ATOM 263 CB VAL A 48 17.621 13.133 6.342 1.00 1.00 C ATOM 264 CG1 VAL A 48 18.595 12.314 7.183 1.00 1.00 C ATOM 265 CG2 VAL A 48 16.308 12.347 6.151 1.00 1.00 C ATOM 0 H VAL A 48 16.586 15.211 5.259 1.00 1.00 H new ATOM 0 HA VAL A 48 16.857 14.228 8.022 1.00 1.00 H new ATOM 0 HB VAL A 48 18.062 13.335 5.366 1.00 1.00 H new ATOM 0 HG11 VAL A 48 18.811 11.374 6.676 1.00 1.00 H new ATOM 0 HG12 VAL A 48 19.520 12.875 7.318 1.00 1.00 H new ATOM 0 HG13 VAL A 48 18.151 12.108 8.157 1.00 1.00 H new ATOM 0 HG21 VAL A 48 16.517 11.409 5.637 1.00 1.00 H new ATOM 0 HG22 VAL A 48 15.865 12.136 7.124 1.00 1.00 H new ATOM 0 HG23 VAL A 48 15.613 12.939 5.556 1.00 1.00 H new ATOM 275 N VAL A 49 19.097 15.161 8.552 1.00 1.00 N ATOM 276 CA VAL A 49 20.324 15.855 8.931 1.00 1.00 C ATOM 277 C VAL A 49 21.553 14.997 8.642 1.00 1.00 C ATOM 278 O VAL A 49 21.643 13.849 9.070 1.00 1.00 O ATOM 279 CB VAL A 49 20.286 16.202 10.418 1.00 1.00 C ATOM 280 CG1 VAL A 49 19.135 17.170 10.685 1.00 1.00 C ATOM 281 CG2 VAL A 49 20.089 14.929 11.244 1.00 1.00 C ATOM 0 H VAL A 49 18.651 14.647 9.312 1.00 1.00 H new ATOM 0 HA VAL A 49 20.392 16.768 8.340 1.00 1.00 H new ATOM 0 HB VAL A 49 21.229 16.670 10.703 1.00 1.00 H new ATOM 0 HG11 VAL A 49 19.107 17.418 11.746 1.00 1.00 H new ATOM 0 HG12 VAL A 49 19.282 18.080 10.103 1.00 1.00 H new ATOM 0 HG13 VAL A 49 18.193 16.704 10.397 1.00 1.00 H new ATOM 0 HG21 VAL A 49 20.063 15.183 12.304 1.00 1.00 H new ATOM 0 HG22 VAL A 49 19.150 14.454 10.962 1.00 1.00 H new ATOM 0 HG23 VAL A 49 20.914 14.242 11.056 1.00 1.00 H new ATOM 291 N ARG A 50 22.496 15.568 7.912 1.00 1.00 N ATOM 292 CA ARG A 50 23.724 14.857 7.568 1.00 1.00 C ATOM 293 C ARG A 50 24.622 14.695 8.790 1.00 1.00 C ATOM 294 O ARG A 50 25.290 13.673 8.951 1.00 1.00 O ATOM 295 CB ARG A 50 24.481 15.608 6.476 1.00 1.00 C ATOM 296 CG ARG A 50 23.679 15.553 5.174 1.00 1.00 C ATOM 297 CD ARG A 50 24.416 16.340 4.091 1.00 1.00 C ATOM 298 NE ARG A 50 24.476 17.754 4.452 1.00 1.00 N ATOM 299 CZ ARG A 50 23.470 18.580 4.183 1.00 1.00 C ATOM 300 NH1 ARG A 50 22.403 18.134 3.580 1.00 1.00 N ATOM 301 NH2 ARG A 50 23.549 19.837 4.523 1.00 1.00 N ATOM 0 H ARG A 50 22.439 16.518 7.545 1.00 1.00 H new ATOM 0 HA ARG A 50 23.448 13.868 7.204 1.00 1.00 H new ATOM 0 HB2 ARG A 50 24.640 16.644 6.775 1.00 1.00 H new ATOM 0 HB3 ARG A 50 25.465 15.164 6.329 1.00 1.00 H new ATOM 0 HG2 ARG A 50 23.545 14.518 4.860 1.00 1.00 H new ATOM 0 HG3 ARG A 50 22.684 15.970 5.329 1.00 1.00 H new ATOM 0 HD2 ARG A 50 25.424 15.945 3.966 1.00 1.00 H new ATOM 0 HD3 ARG A 50 23.907 16.222 3.134 1.00 1.00 H new ATOM 0 HE ARG A 50 25.307 18.115 4.920 1.00 1.00 H new ATOM 0 HH11 ARG A 50 22.340 17.151 3.315 1.00 1.00 H new ATOM 0 HH12 ARG A 50 21.631 18.768 3.374 1.00 1.00 H new ATOM 0 HH21 ARG A 50 24.383 20.186 4.995 1.00 1.00 H new ATOM 0 HH22 ARG A 50 22.777 20.471 4.316 1.00 1.00 H new ATOM 315 N THR A 51 24.648 15.717 9.641 1.00 1.00 N ATOM 316 CA THR A 51 25.491 15.684 10.832 1.00 1.00 C ATOM 317 C THR A 51 25.158 14.472 11.691 1.00 1.00 C ATOM 318 O THR A 51 26.049 13.728 12.100 1.00 1.00 O ATOM 319 CB THR A 51 25.274 16.958 11.654 1.00 1.00 C ATOM 320 OG1 THR A 51 25.640 18.089 10.879 1.00 1.00 O ATOM 321 CG2 THR A 51 26.130 16.908 12.918 1.00 1.00 C ATOM 0 H THR A 51 24.101 16.571 9.530 1.00 1.00 H new ATOM 0 HA THR A 51 26.532 15.619 10.516 1.00 1.00 H new ATOM 0 HB THR A 51 24.223 17.032 11.933 1.00 1.00 H new ATOM 0 HG1 THR A 51 25.962 18.801 11.471 1.00 1.00 H new ATOM 0 HG21 THR A 51 25.973 17.816 13.500 1.00 1.00 H new ATOM 0 HG22 THR A 51 25.847 16.041 13.515 1.00 1.00 H new ATOM 0 HG23 THR A 51 27.182 16.831 12.642 1.00 1.00 H new ATOM 329 N GLY A 52 23.870 14.265 11.954 1.00 1.00 N ATOM 330 CA GLY A 52 23.439 13.123 12.758 1.00 1.00 C ATOM 331 C GLY A 52 23.156 11.923 11.868 1.00 1.00 C ATOM 332 O GLY A 52 24.009 11.057 11.700 1.00 1.00 O ATOM 0 H GLY A 52 23.113 14.866 11.627 1.00 1.00 H new ATOM 0 HA2 GLY A 52 24.211 12.870 13.485 1.00 1.00 H new ATOM 0 HA3 GLY A 52 22.544 13.385 13.322 1.00 1.00 H new ATOM 336 N ILE A 53 21.948 11.883 11.308 1.00 1.00 N ATOM 337 CA ILE A 53 21.535 10.796 10.438 1.00 1.00 C ATOM 338 C ILE A 53 22.548 10.602 9.320 1.00 1.00 C ATOM 339 O ILE A 53 22.353 11.042 8.186 1.00 1.00 O ATOM 340 CB ILE A 53 20.166 11.109 9.827 1.00 1.00 C ATOM 341 CG1 ILE A 53 19.099 11.273 10.925 1.00 1.00 C ATOM 342 CG2 ILE A 53 19.758 9.989 8.876 1.00 1.00 C ATOM 343 CD1 ILE A 53 18.524 9.909 11.347 1.00 1.00 C ATOM 0 H ILE A 53 21.236 12.600 11.446 1.00 1.00 H new ATOM 0 HA ILE A 53 21.473 9.883 11.030 1.00 1.00 H new ATOM 0 HB ILE A 53 20.241 12.047 9.277 1.00 1.00 H new ATOM 0 HG12 ILE A 53 19.537 11.770 11.791 1.00 1.00 H new ATOM 0 HG13 ILE A 53 18.295 11.914 10.562 1.00 1.00 H new ATOM 0 HG21 ILE A 53 18.783 10.216 8.444 1.00 1.00 H new ATOM 0 HG22 ILE A 53 20.497 9.901 8.079 1.00 1.00 H new ATOM 0 HG23 ILE A 53 19.702 9.049 9.424 1.00 1.00 H new ATOM 0 HD11 ILE A 53 17.773 10.055 12.123 1.00 1.00 H new ATOM 0 HD12 ILE A 53 18.065 9.425 10.485 1.00 1.00 H new ATOM 0 HD13 ILE A 53 19.326 9.279 11.732 1.00 1.00 H new ATOM 355 N GLY A 54 23.633 9.949 9.665 1.00 1.00 N ATOM 356 CA GLY A 54 24.700 9.686 8.706 1.00 1.00 C ATOM 357 C GLY A 54 25.686 8.650 9.238 1.00 1.00 C ATOM 358 O GLY A 54 26.850 8.627 8.840 1.00 1.00 O ATOM 0 H GLY A 54 23.808 9.586 10.602 1.00 1.00 H new ATOM 0 HA2 GLY A 54 24.270 9.333 7.769 1.00 1.00 H new ATOM 0 HA3 GLY A 54 25.229 10.613 8.485 1.00 1.00 H new ATOM 362 N ARG A 55 25.212 7.795 10.135 1.00 1.00 N ATOM 363 CA ARG A 55 26.057 6.755 10.712 1.00 1.00 C ATOM 364 C ARG A 55 26.337 5.656 9.690 1.00 1.00 C ATOM 365 O ARG A 55 27.435 5.102 9.644 1.00 1.00 O ATOM 366 CB ARG A 55 25.386 6.153 11.949 1.00 1.00 C ATOM 367 CG ARG A 55 23.930 5.819 11.629 1.00 1.00 C ATOM 368 CD ARG A 55 23.276 5.144 12.835 1.00 1.00 C ATOM 369 NE ARG A 55 23.089 6.109 13.912 1.00 1.00 N ATOM 370 CZ ARG A 55 22.547 5.748 15.068 1.00 1.00 C ATOM 371 NH1 ARG A 55 22.166 4.514 15.251 1.00 1.00 N ATOM 372 NH2 ARG A 55 22.388 6.627 16.018 1.00 1.00 N ATOM 0 H ARG A 55 24.251 7.800 10.478 1.00 1.00 H new ATOM 0 HA ARG A 55 27.004 7.209 11.003 1.00 1.00 H new ATOM 0 HB2 ARG A 55 25.916 5.253 12.261 1.00 1.00 H new ATOM 0 HB3 ARG A 55 25.434 6.856 12.780 1.00 1.00 H new ATOM 0 HG2 ARG A 55 23.387 6.728 11.371 1.00 1.00 H new ATOM 0 HG3 ARG A 55 23.881 5.161 10.761 1.00 1.00 H new ATOM 0 HD2 ARG A 55 22.314 4.719 12.546 1.00 1.00 H new ATOM 0 HD3 ARG A 55 23.898 4.318 13.181 1.00 1.00 H new ATOM 0 HE ARG A 55 23.380 7.077 13.775 1.00 1.00 H new ATOM 0 HH11 ARG A 55 22.285 3.828 14.506 1.00 1.00 H new ATOM 0 HH12 ARG A 55 21.749 4.235 16.139 1.00 1.00 H new ATOM 0 HH21 ARG A 55 22.680 7.593 15.873 1.00 1.00 H new ATOM 0 HH22 ARG A 55 21.971 6.348 16.906 1.00 1.00 H new ATOM 386 N ALA A 56 25.334 5.340 8.875 1.00 1.00 N ATOM 387 CA ALA A 56 25.486 4.302 7.860 1.00 1.00 C ATOM 388 C ALA A 56 24.201 4.148 7.053 1.00 1.00 C ATOM 389 O ALA A 56 24.079 4.680 5.951 1.00 1.00 O ATOM 390 CB ALA A 56 25.834 2.967 8.527 1.00 1.00 C ATOM 0 H ALA A 56 24.416 5.783 8.897 1.00 1.00 H new ATOM 0 HA ALA A 56 26.292 4.594 7.187 1.00 1.00 H new ATOM 0 HB1 ALA A 56 25.946 2.197 7.764 1.00 1.00 H new ATOM 0 HB2 ALA A 56 26.768 3.069 9.079 1.00 1.00 H new ATOM 0 HB3 ALA A 56 25.036 2.684 9.213 1.00 1.00 H new ATOM 396 N ARG A 57 23.249 3.405 7.609 1.00 1.00 N ATOM 397 CA ARG A 57 21.970 3.173 6.941 1.00 1.00 C ATOM 398 C ARG A 57 20.956 4.242 7.340 1.00 1.00 C ATOM 399 O ARG A 57 19.957 4.449 6.657 1.00 1.00 O ATOM 400 CB ARG A 57 21.421 1.794 7.311 1.00 1.00 C ATOM 401 CG ARG A 57 20.346 1.371 6.290 1.00 1.00 C ATOM 402 CD ARG A 57 19.391 0.367 6.929 1.00 1.00 C ATOM 403 NE ARG A 57 18.565 1.043 7.924 1.00 1.00 N ATOM 404 CZ ARG A 57 17.652 0.382 8.625 1.00 1.00 C ATOM 405 NH1 ARG A 57 17.482 -0.894 8.425 1.00 1.00 N ATOM 406 NH2 ARG A 57 16.925 1.009 9.509 1.00 1.00 N ATOM 0 H ARG A 57 23.337 2.953 8.519 1.00 1.00 H new ATOM 0 HA ARG A 57 22.136 3.221 5.865 1.00 1.00 H new ATOM 0 HB2 ARG A 57 22.229 1.063 7.327 1.00 1.00 H new ATOM 0 HB3 ARG A 57 20.994 1.819 8.314 1.00 1.00 H new ATOM 0 HG2 ARG A 57 19.793 2.246 5.948 1.00 1.00 H new ATOM 0 HG3 ARG A 57 20.819 0.929 5.413 1.00 1.00 H new ATOM 0 HD2 ARG A 57 18.760 -0.087 6.165 1.00 1.00 H new ATOM 0 HD3 ARG A 57 19.955 -0.440 7.397 1.00 1.00 H new ATOM 0 HE ARG A 57 18.692 2.042 8.084 1.00 1.00 H new ATOM 0 HH11 ARG A 57 18.049 -1.382 7.732 1.00 1.00 H new ATOM 0 HH12 ARG A 57 16.781 -1.405 8.962 1.00 1.00 H new ATOM 0 HH21 ARG A 57 17.058 2.009 9.662 1.00 1.00 H new ATOM 0 HH22 ARG A 57 16.224 0.499 10.047 1.00 1.00 H new ATOM 420 N ALA A 58 21.204 4.903 8.462 1.00 1.00 N ATOM 421 CA ALA A 58 20.287 5.929 8.944 1.00 1.00 C ATOM 422 C ALA A 58 19.985 6.935 7.837 1.00 1.00 C ATOM 423 O ALA A 58 18.934 7.554 7.821 1.00 1.00 O ATOM 424 CB ALA A 58 20.895 6.639 10.149 1.00 1.00 C ATOM 0 H ALA A 58 22.023 4.751 9.051 1.00 1.00 H new ATOM 0 HA ALA A 58 19.352 5.455 9.243 1.00 1.00 H new ATOM 0 HB1 ALA A 58 20.206 7.405 10.506 1.00 1.00 H new ATOM 0 HB2 ALA A 58 21.077 5.916 10.944 1.00 1.00 H new ATOM 0 HB3 ALA A 58 21.837 7.105 9.860 1.00 1.00 H new ATOM 430 N GLU A 59 20.911 7.097 6.914 1.00 1.00 N ATOM 431 CA GLU A 59 20.713 8.028 5.805 1.00 1.00 C ATOM 432 C GLU A 59 19.664 7.499 4.846 1.00 1.00 C ATOM 433 O GLU A 59 18.889 8.262 4.284 1.00 1.00 O ATOM 434 CB GLU A 59 22.041 8.265 5.082 1.00 1.00 C ATOM 435 CG GLU A 59 22.859 6.974 5.103 1.00 1.00 C ATOM 436 CD GLU A 59 24.013 7.064 4.114 1.00 1.00 C ATOM 437 OE1 GLU A 59 23.847 7.714 3.097 1.00 1.00 O ATOM 438 OE2 GLU A 59 25.045 6.474 4.388 1.00 1.00 O ATOM 0 H GLU A 59 21.804 6.604 6.903 1.00 1.00 H new ATOM 0 HA GLU A 59 20.357 8.979 6.201 1.00 1.00 H new ATOM 0 HB2 GLU A 59 21.859 8.578 4.054 1.00 1.00 H new ATOM 0 HB3 GLU A 59 22.595 9.069 5.567 1.00 1.00 H new ATOM 0 HG2 GLU A 59 23.244 6.796 6.107 1.00 1.00 H new ATOM 0 HG3 GLU A 59 22.221 6.127 4.852 1.00 1.00 H new ATOM 445 N LEU A 60 19.641 6.193 4.668 1.00 1.00 N ATOM 446 CA LEU A 60 18.676 5.578 3.772 1.00 1.00 C ATOM 447 C LEU A 60 17.278 6.141 4.006 1.00 1.00 C ATOM 448 O LEU A 60 16.402 6.032 3.150 1.00 1.00 O ATOM 449 CB LEU A 60 18.661 4.062 3.985 1.00 1.00 C ATOM 450 CG LEU A 60 18.043 3.363 2.755 1.00 1.00 C ATOM 451 CD1 LEU A 60 19.123 3.104 1.695 1.00 1.00 C ATOM 452 CD2 LEU A 60 17.421 2.026 3.178 1.00 1.00 C ATOM 0 H LEU A 60 20.274 5.539 5.128 1.00 1.00 H new ATOM 0 HA LEU A 60 18.972 5.801 2.747 1.00 1.00 H new ATOM 0 HB2 LEU A 60 19.676 3.699 4.148 1.00 1.00 H new ATOM 0 HB3 LEU A 60 18.087 3.818 4.879 1.00 1.00 H new ATOM 0 HG LEU A 60 17.274 4.010 2.334 1.00 1.00 H new ATOM 0 HD11 LEU A 60 18.675 2.611 0.832 1.00 1.00 H new ATOM 0 HD12 LEU A 60 19.562 4.052 1.384 1.00 1.00 H new ATOM 0 HD13 LEU A 60 19.900 2.465 2.115 1.00 1.00 H new ATOM 0 HD21 LEU A 60 16.986 1.536 2.307 1.00 1.00 H new ATOM 0 HD22 LEU A 60 18.192 1.386 3.608 1.00 1.00 H new ATOM 0 HD23 LEU A 60 16.643 2.205 3.920 1.00 1.00 H new ATOM 464 N PHE A 61 17.080 6.741 5.168 1.00 1.00 N ATOM 465 CA PHE A 61 15.785 7.316 5.508 1.00 1.00 C ATOM 466 C PHE A 61 15.402 8.423 4.523 1.00 1.00 C ATOM 467 O PHE A 61 14.263 8.486 4.065 1.00 1.00 O ATOM 468 CB PHE A 61 15.832 7.874 6.946 1.00 1.00 C ATOM 469 CG PHE A 61 15.331 6.833 7.928 1.00 1.00 C ATOM 470 CD1 PHE A 61 14.009 6.384 7.849 1.00 1.00 C ATOM 471 CD2 PHE A 61 16.187 6.311 8.905 1.00 1.00 C ATOM 472 CE1 PHE A 61 13.545 5.419 8.749 1.00 1.00 C ATOM 473 CE2 PHE A 61 15.721 5.347 9.800 1.00 1.00 C ATOM 474 CZ PHE A 61 14.402 4.900 9.722 1.00 1.00 C ATOM 0 H PHE A 61 17.794 6.843 5.890 1.00 1.00 H new ATOM 0 HA PHE A 61 15.028 6.535 5.446 1.00 1.00 H new ATOM 0 HB2 PHE A 61 16.852 8.162 7.199 1.00 1.00 H new ATOM 0 HB3 PHE A 61 15.221 8.774 7.015 1.00 1.00 H new ATOM 0 HD1 PHE A 61 13.347 6.782 7.094 1.00 1.00 H new ATOM 0 HD2 PHE A 61 17.209 6.655 8.966 1.00 1.00 H new ATOM 0 HE1 PHE A 61 12.523 5.075 8.691 1.00 1.00 H new ATOM 0 HE2 PHE A 61 16.382 4.947 10.554 1.00 1.00 H new ATOM 0 HZ PHE A 61 14.043 4.152 10.414 1.00 1.00 H new ATOM 484 N GLU A 62 16.349 9.291 4.206 1.00 1.00 N ATOM 485 CA GLU A 62 16.096 10.387 3.288 1.00 1.00 C ATOM 486 C GLU A 62 15.725 9.857 1.905 1.00 1.00 C ATOM 487 O GLU A 62 14.847 10.396 1.236 1.00 1.00 O ATOM 488 CB GLU A 62 17.355 11.272 3.201 1.00 1.00 C ATOM 489 CG GLU A 62 18.378 10.650 2.244 1.00 1.00 C ATOM 490 CD GLU A 62 19.734 11.324 2.408 1.00 1.00 C ATOM 491 OE1 GLU A 62 20.091 11.626 3.535 1.00 1.00 O ATOM 492 OE2 GLU A 62 20.398 11.525 1.405 1.00 1.00 O ATOM 0 H GLU A 62 17.301 9.257 4.572 1.00 1.00 H new ATOM 0 HA GLU A 62 15.258 10.978 3.658 1.00 1.00 H new ATOM 0 HB2 GLU A 62 17.083 12.269 2.855 1.00 1.00 H new ATOM 0 HB3 GLU A 62 17.796 11.387 4.191 1.00 1.00 H new ATOM 0 HG2 GLU A 62 18.469 9.582 2.442 1.00 1.00 H new ATOM 0 HG3 GLU A 62 18.034 10.755 1.215 1.00 1.00 H new ATOM 499 N LYS A 63 16.416 8.806 1.478 1.00 1.00 N ATOM 500 CA LYS A 63 16.162 8.220 0.169 1.00 1.00 C ATOM 501 C LYS A 63 14.768 7.609 0.115 1.00 1.00 C ATOM 502 O LYS A 63 14.054 7.752 -0.877 1.00 1.00 O ATOM 503 CB LYS A 63 17.211 7.149 -0.117 1.00 1.00 C ATOM 504 CG LYS A 63 18.571 7.817 -0.333 1.00 1.00 C ATOM 505 CD LYS A 63 19.659 6.750 -0.316 1.00 1.00 C ATOM 506 CE LYS A 63 21.013 7.381 -0.648 1.00 1.00 C ATOM 507 NZ LYS A 63 21.147 8.673 0.082 1.00 1.00 N ATOM 0 H LYS A 63 17.151 8.346 2.015 1.00 1.00 H new ATOM 0 HA LYS A 63 16.222 9.003 -0.587 1.00 1.00 H new ATOM 0 HB2 LYS A 63 17.266 6.447 0.715 1.00 1.00 H new ATOM 0 HB3 LYS A 63 16.930 6.576 -1.000 1.00 1.00 H new ATOM 0 HG2 LYS A 63 18.582 8.350 -1.284 1.00 1.00 H new ATOM 0 HG3 LYS A 63 18.756 8.555 0.448 1.00 1.00 H new ATOM 0 HD2 LYS A 63 19.700 6.276 0.664 1.00 1.00 H new ATOM 0 HD3 LYS A 63 19.425 5.968 -1.039 1.00 1.00 H new ATOM 0 HE2 LYS A 63 21.821 6.706 -0.366 1.00 1.00 H new ATOM 0 HE3 LYS A 63 21.096 7.547 -1.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 22.152 8.936 0.141 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 20.625 9.415 -0.426 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 20.758 8.572 1.041 1.00 1.00 H new ATOM 521 N GLN A 64 14.388 6.927 1.190 1.00 1.00 N ATOM 522 CA GLN A 64 13.078 6.294 1.257 1.00 1.00 C ATOM 523 C GLN A 64 11.973 7.340 1.192 1.00 1.00 C ATOM 524 O GLN A 64 10.825 7.021 0.892 1.00 1.00 O ATOM 525 CB GLN A 64 12.948 5.489 2.552 1.00 1.00 C ATOM 526 CG GLN A 64 13.822 4.236 2.465 1.00 1.00 C ATOM 527 CD GLN A 64 13.760 3.466 3.779 1.00 1.00 C ATOM 528 OE1 GLN A 64 13.203 4.017 4.823 1.00 1.00 O flip ATOM 529 NE2 GLN A 64 14.228 2.330 3.856 1.00 1.00 N flip ATOM 0 H GLN A 64 14.965 6.799 2.021 1.00 1.00 H new ATOM 0 HA GLN A 64 12.978 5.623 0.404 1.00 1.00 H new ATOM 0 HB2 GLN A 64 13.251 6.098 3.403 1.00 1.00 H new ATOM 0 HB3 GLN A 64 11.907 5.209 2.715 1.00 1.00 H new ATOM 0 HG2 GLN A 64 13.483 3.602 1.646 1.00 1.00 H new ATOM 0 HG3 GLN A 64 14.852 4.516 2.246 1.00 1.00 H new ATOM 0 HE21 GLN A 64 14.663 1.901 3.039 1.00 1.00 H new ATOM 0 HE22 GLN A 64 14.181 1.818 4.737 1.00 1.00 H new ATOM 538 N ILE A 65 12.322 8.589 1.480 1.00 1.00 N ATOM 539 CA ILE A 65 11.339 9.669 1.450 1.00 1.00 C ATOM 540 C ILE A 65 11.153 10.195 0.032 1.00 1.00 C ATOM 541 O ILE A 65 10.041 10.204 -0.497 1.00 1.00 O ATOM 542 CB ILE A 65 11.806 10.811 2.357 1.00 1.00 C ATOM 543 CG1 ILE A 65 11.755 10.358 3.825 1.00 1.00 C ATOM 544 CG2 ILE A 65 10.904 12.040 2.167 1.00 1.00 C ATOM 545 CD1 ILE A 65 12.614 11.284 4.706 1.00 1.00 C ATOM 0 H ILE A 65 13.267 8.878 1.734 1.00 1.00 H new ATOM 0 HA ILE A 65 10.385 9.277 1.804 1.00 1.00 H new ATOM 0 HB ILE A 65 12.829 11.077 2.093 1.00 1.00 H new ATOM 0 HG12 ILE A 65 10.724 10.364 4.178 1.00 1.00 H new ATOM 0 HG13 ILE A 65 12.114 9.332 3.908 1.00 1.00 H new ATOM 0 HG21 ILE A 65 11.245 12.846 2.817 1.00 1.00 H new ATOM 0 HG22 ILE A 65 10.949 12.368 1.128 1.00 1.00 H new ATOM 0 HG23 ILE A 65 9.876 11.780 2.421 1.00 1.00 H new ATOM 0 HD11 ILE A 65 12.566 10.948 5.742 1.00 1.00 H new ATOM 0 HD12 ILE A 65 13.648 11.256 4.363 1.00 1.00 H new ATOM 0 HD13 ILE A 65 12.237 12.304 4.638 1.00 1.00 H new ATOM 557 N VAL A 66 12.243 10.644 -0.575 1.00 1.00 N ATOM 558 CA VAL A 66 12.181 11.183 -1.923 1.00 1.00 C ATOM 559 C VAL A 66 11.773 10.103 -2.913 1.00 1.00 C ATOM 560 O VAL A 66 11.109 10.376 -3.912 1.00 1.00 O ATOM 561 CB VAL A 66 13.540 11.775 -2.310 1.00 1.00 C ATOM 562 CG1 VAL A 66 14.078 12.646 -1.159 1.00 1.00 C ATOM 563 CG2 VAL A 66 14.530 10.644 -2.600 1.00 1.00 C ATOM 0 H VAL A 66 13.174 10.645 -0.158 1.00 1.00 H new ATOM 0 HA VAL A 66 11.430 11.972 -1.950 1.00 1.00 H new ATOM 0 HB VAL A 66 13.420 12.391 -3.201 1.00 1.00 H new ATOM 0 HG11 VAL A 66 15.045 13.064 -1.440 1.00 1.00 H new ATOM 0 HG12 VAL A 66 13.377 13.456 -0.957 1.00 1.00 H new ATOM 0 HG13 VAL A 66 14.194 12.035 -0.264 1.00 1.00 H new ATOM 0 HG21 VAL A 66 15.496 11.068 -2.875 1.00 1.00 H new ATOM 0 HG22 VAL A 66 14.645 10.025 -1.711 1.00 1.00 H new ATOM 0 HG23 VAL A 66 14.155 10.033 -3.421 1.00 1.00 H new ATOM 573 N GLN A 67 12.184 8.877 -2.629 1.00 1.00 N ATOM 574 CA GLN A 67 11.863 7.761 -3.503 1.00 1.00 C ATOM 575 C GLN A 67 10.379 7.427 -3.419 1.00 1.00 C ATOM 576 O GLN A 67 9.818 6.806 -4.321 1.00 1.00 O ATOM 577 CB GLN A 67 12.699 6.535 -3.113 1.00 1.00 C ATOM 578 CG GLN A 67 12.486 5.406 -4.129 1.00 1.00 C ATOM 579 CD GLN A 67 12.951 5.854 -5.510 1.00 1.00 C ATOM 580 OE1 GLN A 67 13.921 6.721 -5.608 1.00 1.00 O flip ATOM 581 NE2 GLN A 67 12.409 5.413 -6.524 1.00 1.00 N flip ATOM 0 H GLN A 67 12.736 8.631 -1.807 1.00 1.00 H new ATOM 0 HA GLN A 67 12.098 8.043 -4.529 1.00 1.00 H new ATOM 0 HB2 GLN A 67 13.755 6.803 -3.072 1.00 1.00 H new ATOM 0 HB3 GLN A 67 12.417 6.195 -2.116 1.00 1.00 H new ATOM 0 HG2 GLN A 67 13.038 4.519 -3.820 1.00 1.00 H new ATOM 0 HG3 GLN A 67 11.432 5.130 -4.163 1.00 1.00 H new ATOM 0 HE21 GLN A 67 11.651 4.735 -6.443 1.00 1.00 H new ATOM 0 HE22 GLN A 67 12.718 5.725 -7.444 1.00 1.00 H new ATOM 590 N HIS A 68 9.745 7.839 -2.325 1.00 1.00 N ATOM 591 CA HIS A 68 8.322 7.571 -2.125 1.00 1.00 C ATOM 592 C HIS A 68 7.476 8.763 -2.558 1.00 1.00 C ATOM 593 O HIS A 68 6.292 8.846 -2.229 1.00 1.00 O ATOM 594 CB HIS A 68 8.058 7.253 -0.654 1.00 1.00 C ATOM 595 CG HIS A 68 8.754 5.969 -0.290 1.00 1.00 C ATOM 596 ND1 HIS A 68 8.804 5.500 1.013 1.00 1.00 N ATOM 597 CD2 HIS A 68 9.437 5.043 -1.045 1.00 1.00 C ATOM 598 CE1 HIS A 68 9.492 4.343 1.001 1.00 1.00 C ATOM 599 NE2 HIS A 68 9.899 4.020 -0.226 1.00 1.00 N ATOM 0 H HIS A 68 10.190 8.357 -1.567 1.00 1.00 H new ATOM 0 HA HIS A 68 8.044 6.714 -2.738 1.00 1.00 H new ATOM 0 HB2 HIS A 68 8.418 8.066 -0.024 1.00 1.00 H new ATOM 0 HB3 HIS A 68 6.986 7.162 -0.476 1.00 1.00 H new ATOM 0 HD1 HIS A 68 8.394 5.949 1.832 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.591 5.102 -2.112 1.00 1.00 H new ATOM 0 HE1 HIS A 68 9.690 3.748 1.880 1.00 1.00 H new ATOM 608 N GLY A 69 8.087 9.686 -3.302 1.00 1.00 N ATOM 609 CA GLY A 69 7.381 10.872 -3.784 1.00 1.00 C ATOM 610 C GLY A 69 7.658 12.072 -2.890 1.00 1.00 C ATOM 611 O GLY A 69 7.125 13.158 -3.114 1.00 1.00 O ATOM 0 H GLY A 69 9.066 9.635 -3.583 1.00 1.00 H new ATOM 0 HA2 GLY A 69 7.692 11.095 -4.805 1.00 1.00 H new ATOM 0 HA3 GLY A 69 6.309 10.675 -3.813 1.00 1.00 H new ATOM 615 N GLY A 70 8.502 11.876 -1.881 1.00 1.00 N ATOM 616 CA GLY A 70 8.840 12.959 -0.971 1.00 1.00 C ATOM 617 C GLY A 70 9.845 13.896 -1.624 1.00 1.00 C ATOM 618 O GLY A 70 9.812 14.099 -2.836 1.00 1.00 O ATOM 0 H GLY A 70 8.958 10.987 -1.676 1.00 1.00 H new ATOM 0 HA2 GLY A 70 7.940 13.511 -0.700 1.00 1.00 H new ATOM 0 HA3 GLY A 70 9.255 12.553 -0.049 1.00 1.00 H new ATOM 622 N GLN A 71 10.737 14.453 -0.816 1.00 1.00 N ATOM 623 CA GLN A 71 11.758 15.366 -1.323 1.00 1.00 C ATOM 624 C GLN A 71 12.515 16.006 -0.161 1.00 1.00 C ATOM 625 O GLN A 71 11.952 16.227 0.910 1.00 1.00 O ATOM 626 CB GLN A 71 11.107 16.477 -2.163 1.00 1.00 C ATOM 627 CG GLN A 71 9.786 16.934 -1.497 1.00 1.00 C ATOM 628 CD GLN A 71 8.582 16.401 -2.266 1.00 1.00 C ATOM 629 OE1 GLN A 71 7.706 15.760 -1.687 1.00 1.00 O ATOM 630 NE2 GLN A 71 8.488 16.634 -3.544 1.00 1.00 N ATOM 0 H GLN A 71 10.776 14.291 0.190 1.00 1.00 H new ATOM 0 HA GLN A 71 12.450 14.796 -1.943 1.00 1.00 H new ATOM 0 HB2 GLN A 71 11.789 17.322 -2.256 1.00 1.00 H new ATOM 0 HB3 GLN A 71 10.910 16.114 -3.172 1.00 1.00 H new ATOM 0 HG2 GLN A 71 9.751 16.580 -0.467 1.00 1.00 H new ATOM 0 HG3 GLN A 71 9.748 18.023 -1.462 1.00 1.00 H new ATOM 0 HE21 GLN A 71 9.216 17.166 -4.020 1.00 1.00 H new ATOM 0 HE22 GLN A 71 7.686 16.285 -4.068 1.00 1.00 H new ATOM 639 N LEU A 72 13.788 16.318 -0.384 1.00 1.00 N ATOM 640 CA LEU A 72 14.612 16.947 0.647 1.00 1.00 C ATOM 641 C LEU A 72 14.866 18.401 0.290 1.00 1.00 C ATOM 642 O LEU A 72 15.542 18.698 -0.693 1.00 1.00 O ATOM 643 CB LEU A 72 15.950 16.209 0.753 1.00 1.00 C ATOM 644 CG LEU A 72 15.699 14.716 1.059 1.00 1.00 C ATOM 645 CD1 LEU A 72 16.870 13.868 0.550 1.00 1.00 C ATOM 646 CD2 LEU A 72 15.545 14.508 2.573 1.00 1.00 C ATOM 0 H LEU A 72 14.272 16.147 -1.266 1.00 1.00 H new ATOM 0 HA LEU A 72 14.089 16.897 1.602 1.00 1.00 H new ATOM 0 HB2 LEU A 72 16.507 16.310 -0.178 1.00 1.00 H new ATOM 0 HB3 LEU A 72 16.560 16.654 1.539 1.00 1.00 H new ATOM 0 HG LEU A 72 14.783 14.408 0.554 1.00 1.00 H new ATOM 0 HD11 LEU A 72 16.682 12.817 0.771 1.00 1.00 H new ATOM 0 HD12 LEU A 72 16.973 13.999 -0.527 1.00 1.00 H new ATOM 0 HD13 LEU A 72 17.789 14.184 1.043 1.00 1.00 H new ATOM 0 HD21 LEU A 72 15.368 13.452 2.779 1.00 1.00 H new ATOM 0 HD22 LEU A 72 16.456 14.829 3.079 1.00 1.00 H new ATOM 0 HD23 LEU A 72 14.702 15.095 2.937 1.00 1.00 H new ATOM 658 N CYS A 73 14.319 19.308 1.097 1.00 1.00 N ATOM 659 CA CYS A 73 14.492 20.733 0.858 1.00 1.00 C ATOM 660 C CYS A 73 14.823 21.453 2.169 1.00 1.00 C ATOM 661 O CYS A 73 13.922 21.885 2.889 1.00 1.00 O ATOM 662 CB CYS A 73 13.209 21.307 0.250 1.00 1.00 C ATOM 663 SG CYS A 73 12.446 20.061 -0.816 1.00 1.00 S ATOM 0 H CYS A 73 13.756 19.080 1.916 1.00 1.00 H new ATOM 0 HA CYS A 73 15.318 20.883 0.163 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.517 21.600 1.040 1.00 1.00 H new ATOM 0 HB3 CYS A 73 13.435 22.205 -0.325 1.00 1.00 H new ATOM 0 HG CYS A 73 11.355 20.542 -1.334 1.00 1.00 H new ATOM 669 N PRO A 74 16.087 21.589 2.488 1.00 1.00 N ATOM 670 CA PRO A 74 16.532 22.278 3.735 1.00 1.00 C ATOM 671 C PRO A 74 15.911 23.669 3.874 1.00 1.00 C ATOM 672 O PRO A 74 14.923 23.992 3.214 1.00 1.00 O ATOM 673 CB PRO A 74 18.061 22.364 3.579 1.00 1.00 C ATOM 674 CG PRO A 74 18.422 21.262 2.634 1.00 1.00 C ATOM 675 CD PRO A 74 17.229 21.095 1.698 1.00 1.00 C ATOM 0 HA PRO A 74 16.225 21.743 4.634 1.00 1.00 H new ATOM 0 HB2 PRO A 74 18.363 23.335 3.185 1.00 1.00 H new ATOM 0 HB3 PRO A 74 18.562 22.240 4.539 1.00 1.00 H new ATOM 0 HG2 PRO A 74 19.324 21.509 2.074 1.00 1.00 H new ATOM 0 HG3 PRO A 74 18.625 20.337 3.174 1.00 1.00 H new ATOM 0 HD2 PRO A 74 17.358 21.669 0.780 1.00 1.00 H new ATOM 0 HD3 PRO A 74 17.093 20.054 1.406 1.00 1.00 H new ATOM 683 N ALA A 75 16.503 24.484 4.736 1.00 1.00 N ATOM 684 CA ALA A 75 16.010 25.837 4.956 1.00 1.00 C ATOM 685 C ALA A 75 16.077 26.648 3.666 1.00 1.00 C ATOM 686 O ALA A 75 15.234 27.509 3.417 1.00 1.00 O ATOM 687 CB ALA A 75 16.845 26.526 6.035 1.00 1.00 C ATOM 0 H ALA A 75 17.321 24.234 5.292 1.00 1.00 H new ATOM 0 HA ALA A 75 14.971 25.777 5.281 1.00 1.00 H new ATOM 0 HB1 ALA A 75 16.471 27.537 6.194 1.00 1.00 H new ATOM 0 HB2 ALA A 75 16.774 25.962 6.965 1.00 1.00 H new ATOM 0 HB3 ALA A 75 17.886 26.571 5.716 1.00 1.00 H new ATOM 693 N GLN A 76 17.090 26.370 2.849 1.00 1.00 N ATOM 694 CA GLN A 76 17.260 27.087 1.589 1.00 1.00 C ATOM 695 C GLN A 76 16.090 26.808 0.655 1.00 1.00 C ATOM 696 O GLN A 76 15.841 27.559 -0.287 1.00 1.00 O ATOM 697 CB GLN A 76 18.564 26.653 0.916 1.00 1.00 C ATOM 698 CG GLN A 76 19.752 27.121 1.757 1.00 1.00 C ATOM 699 CD GLN A 76 21.056 26.630 1.137 1.00 1.00 C ATOM 700 OE1 GLN A 76 21.050 26.061 0.045 1.00 1.00 O ATOM 701 NE2 GLN A 76 22.180 26.814 1.774 1.00 1.00 N ATOM 0 H GLN A 76 17.799 25.660 3.034 1.00 1.00 H new ATOM 0 HA GLN A 76 17.296 28.156 1.801 1.00 1.00 H new ATOM 0 HB2 GLN A 76 18.586 25.569 0.807 1.00 1.00 H new ATOM 0 HB3 GLN A 76 18.626 27.075 -0.087 1.00 1.00 H new ATOM 0 HG2 GLN A 76 19.757 28.209 1.820 1.00 1.00 H new ATOM 0 HG3 GLN A 76 19.659 26.743 2.775 1.00 1.00 H new ATOM 0 HE21 GLN A 76 22.182 27.286 2.678 1.00 1.00 H new ATOM 0 HE22 GLN A 76 23.056 26.486 1.367 1.00 1.00 H new ATOM 710 N GLY A 77 15.376 25.724 0.923 1.00 1.00 N ATOM 711 CA GLY A 77 14.232 25.352 0.103 1.00 1.00 C ATOM 712 C GLY A 77 13.016 26.216 0.433 1.00 1.00 C ATOM 713 O GLY A 77 13.148 27.287 1.026 1.00 1.00 O ATOM 0 H GLY A 77 15.567 25.089 1.698 1.00 1.00 H new ATOM 0 HA2 GLY A 77 14.485 25.462 -0.951 1.00 1.00 H new ATOM 0 HA3 GLY A 77 13.991 24.301 0.265 1.00 1.00 H new ATOM 717 N PRO A 78 11.842 25.769 0.061 1.00 1.00 N ATOM 718 CA PRO A 78 10.573 26.512 0.323 1.00 1.00 C ATOM 719 C PRO A 78 10.422 26.879 1.794 1.00 1.00 C ATOM 720 O PRO A 78 9.923 27.952 2.132 1.00 1.00 O ATOM 721 CB PRO A 78 9.474 25.530 -0.122 1.00 1.00 C ATOM 722 CG PRO A 78 10.141 24.620 -1.104 1.00 1.00 C ATOM 723 CD PRO A 78 11.596 24.505 -0.651 1.00 1.00 C ATOM 0 HA PRO A 78 10.534 27.462 -0.209 1.00 1.00 H new ATOM 0 HB2 PRO A 78 9.077 24.972 0.726 1.00 1.00 H new ATOM 0 HB3 PRO A 78 8.636 26.056 -0.578 1.00 1.00 H new ATOM 0 HG2 PRO A 78 9.659 23.643 -1.120 1.00 1.00 H new ATOM 0 HG3 PRO A 78 10.078 25.023 -2.115 1.00 1.00 H new ATOM 0 HD2 PRO A 78 11.746 23.643 -0.000 1.00 1.00 H new ATOM 0 HD3 PRO A 78 12.271 24.385 -1.499 1.00 1.00 H new ATOM 731 N GLY A 79 10.849 25.979 2.666 1.00 1.00 N ATOM 732 CA GLY A 79 10.750 26.224 4.093 1.00 1.00 C ATOM 733 C GLY A 79 10.831 24.924 4.872 1.00 1.00 C ATOM 734 O GLY A 79 11.488 24.878 5.902 1.00 1.00 O ATOM 0 H GLY A 79 11.263 25.082 2.413 1.00 1.00 H new ATOM 0 HA2 GLY A 79 11.552 26.892 4.408 1.00 1.00 H new ATOM 0 HA3 GLY A 79 9.809 26.728 4.315 1.00 1.00 H new ATOM 738 N VAL A 80 10.173 23.877 4.365 1.00 1.00 N ATOM 739 CA VAL A 80 10.177 22.570 5.015 1.00 1.00 C ATOM 740 C VAL A 80 9.172 22.551 6.158 1.00 1.00 C ATOM 741 O VAL A 80 8.759 23.602 6.648 1.00 1.00 O ATOM 742 CB VAL A 80 11.601 22.221 5.543 1.00 1.00 C ATOM 743 CG1 VAL A 80 11.723 22.431 7.079 1.00 1.00 C ATOM 744 CG2 VAL A 80 11.923 20.755 5.233 1.00 1.00 C ATOM 0 H VAL A 80 9.630 23.913 3.503 1.00 1.00 H new ATOM 0 HA VAL A 80 9.891 21.818 4.280 1.00 1.00 H new ATOM 0 HB VAL A 80 12.301 22.890 5.043 1.00 1.00 H new ATOM 0 HG11 VAL A 80 12.732 22.175 7.402 1.00 1.00 H new ATOM 0 HG12 VAL A 80 11.518 23.474 7.321 1.00 1.00 H new ATOM 0 HG13 VAL A 80 11.005 21.791 7.592 1.00 1.00 H new ATOM 0 HG21 VAL A 80 12.920 20.515 5.604 1.00 1.00 H new ATOM 0 HG22 VAL A 80 11.190 20.111 5.719 1.00 1.00 H new ATOM 0 HG23 VAL A 80 11.889 20.595 4.155 1.00 1.00 H new ATOM 754 N THR A 81 8.800 21.355 6.602 1.00 1.00 N ATOM 755 CA THR A 81 7.862 21.219 7.713 1.00 1.00 C ATOM 756 C THR A 81 8.352 20.171 8.709 1.00 1.00 C ATOM 757 O THR A 81 8.265 20.361 9.920 1.00 1.00 O ATOM 758 CB THR A 81 6.492 20.808 7.183 1.00 1.00 C ATOM 759 OG1 THR A 81 5.763 20.166 8.221 1.00 1.00 O ATOM 760 CG2 THR A 81 6.670 19.848 6.006 1.00 1.00 C ATOM 0 H THR A 81 9.130 20.471 6.214 1.00 1.00 H new ATOM 0 HA THR A 81 7.789 22.181 8.221 1.00 1.00 H new ATOM 0 HB THR A 81 5.946 21.690 6.848 1.00 1.00 H new ATOM 0 HG1 THR A 81 6.056 19.234 8.298 1.00 1.00 H new ATOM 0 HG21 THR A 81 5.692 19.553 5.626 1.00 1.00 H new ATOM 0 HG22 THR A 81 7.233 20.343 5.215 1.00 1.00 H new ATOM 0 HG23 THR A 81 7.212 18.963 6.337 1.00 1.00 H new ATOM 768 N HIS A 82 8.865 19.059 8.196 1.00 1.00 N ATOM 769 CA HIS A 82 9.353 17.974 9.060 1.00 1.00 C ATOM 770 C HIS A 82 10.865 17.864 8.993 1.00 1.00 C ATOM 771 O HIS A 82 11.459 17.941 7.917 1.00 1.00 O ATOM 772 CB HIS A 82 8.735 16.645 8.630 1.00 1.00 C ATOM 773 CG HIS A 82 7.265 16.649 8.937 1.00 1.00 C ATOM 774 ND1 HIS A 82 6.332 17.233 8.095 1.00 1.00 N ATOM 775 CD2 HIS A 82 6.552 16.139 9.992 1.00 1.00 C ATOM 776 CE1 HIS A 82 5.121 17.061 8.656 1.00 1.00 C ATOM 777 NE2 HIS A 82 5.200 16.400 9.812 1.00 1.00 N ATOM 0 H HIS A 82 8.956 18.879 7.196 1.00 1.00 H new ATOM 0 HA HIS A 82 9.061 18.204 10.085 1.00 1.00 H new ATOM 0 HB2 HIS A 82 8.893 16.487 7.563 1.00 1.00 H new ATOM 0 HB3 HIS A 82 9.223 15.821 9.150 1.00 1.00 H new ATOM 0 HD2 HIS A 82 6.977 15.614 10.835 1.00 1.00 H new ATOM 0 HE1 HIS A 82 4.197 17.415 8.223 1.00 1.00 H new ATOM 0 HE2 HIS A 82 4.432 16.142 10.431 1.00 1.00 H new ATOM 786 N ILE A 83 11.489 17.676 10.157 1.00 1.00 N ATOM 787 CA ILE A 83 12.944 17.540 10.220 1.00 1.00 C ATOM 788 C ILE A 83 13.318 16.348 11.095 1.00 1.00 C ATOM 789 O ILE A 83 13.150 16.382 12.314 1.00 1.00 O ATOM 790 CB ILE A 83 13.564 18.819 10.782 1.00 1.00 C ATOM 791 CG1 ILE A 83 13.176 20.005 9.890 1.00 1.00 C ATOM 792 CG2 ILE A 83 15.096 18.676 10.812 1.00 1.00 C ATOM 793 CD1 ILE A 83 13.542 21.312 10.590 1.00 1.00 C ATOM 0 H ILE A 83 11.016 17.615 11.059 1.00 1.00 H new ATOM 0 HA ILE A 83 13.329 17.374 9.214 1.00 1.00 H new ATOM 0 HB ILE A 83 13.197 18.989 11.794 1.00 1.00 H new ATOM 0 HG12 ILE A 83 13.691 19.937 8.932 1.00 1.00 H new ATOM 0 HG13 ILE A 83 12.107 19.980 9.679 1.00 1.00 H new ATOM 0 HG21 ILE A 83 15.539 19.588 11.213 1.00 1.00 H new ATOM 0 HG22 ILE A 83 15.370 17.831 11.444 1.00 1.00 H new ATOM 0 HG23 ILE A 83 15.466 18.507 9.801 1.00 1.00 H new ATOM 0 HD11 ILE A 83 13.266 22.154 9.956 1.00 1.00 H new ATOM 0 HD12 ILE A 83 13.006 21.380 11.537 1.00 1.00 H new ATOM 0 HD13 ILE A 83 14.615 21.336 10.778 1.00 1.00 H new ATOM 805 N VAL A 84 13.822 15.293 10.461 1.00 1.00 N ATOM 806 CA VAL A 84 14.213 14.081 11.175 1.00 1.00 C ATOM 807 C VAL A 84 15.654 14.165 11.656 1.00 1.00 C ATOM 808 O VAL A 84 16.533 14.633 10.933 1.00 1.00 O ATOM 809 CB VAL A 84 14.054 12.860 10.271 1.00 1.00 C ATOM 810 CG1 VAL A 84 14.323 11.592 11.087 1.00 1.00 C ATOM 811 CG2 VAL A 84 12.624 12.823 9.705 1.00 1.00 C ATOM 0 H VAL A 84 13.969 15.253 9.453 1.00 1.00 H new ATOM 0 HA VAL A 84 13.560 13.983 12.043 1.00 1.00 H new ATOM 0 HB VAL A 84 14.763 12.917 9.445 1.00 1.00 H new ATOM 0 HG11 VAL A 84 14.211 10.717 10.447 1.00 1.00 H new ATOM 0 HG12 VAL A 84 15.337 11.623 11.484 1.00 1.00 H new ATOM 0 HG13 VAL A 84 13.612 11.532 11.911 1.00 1.00 H new ATOM 0 HG21 VAL A 84 12.510 11.952 9.060 1.00 1.00 H new ATOM 0 HG22 VAL A 84 11.909 12.762 10.526 1.00 1.00 H new ATOM 0 HG23 VAL A 84 12.438 13.729 9.128 1.00 1.00 H new ATOM 821 N VAL A 85 15.890 13.704 12.883 1.00 1.00 N ATOM 822 CA VAL A 85 17.238 13.717 13.456 1.00 1.00 C ATOM 823 C VAL A 85 17.543 12.381 14.127 1.00 1.00 C ATOM 824 O VAL A 85 16.638 11.683 14.584 1.00 1.00 O ATOM 825 CB VAL A 85 17.360 14.850 14.474 1.00 1.00 C ATOM 826 CG1 VAL A 85 17.140 16.191 13.771 1.00 1.00 C ATOM 827 CG2 VAL A 85 16.307 14.670 15.566 1.00 1.00 C ATOM 0 H VAL A 85 15.172 13.319 13.497 1.00 1.00 H new ATOM 0 HA VAL A 85 17.957 13.878 12.653 1.00 1.00 H new ATOM 0 HB VAL A 85 18.354 14.831 14.921 1.00 1.00 H new ATOM 0 HG11 VAL A 85 17.227 17.000 14.496 1.00 1.00 H new ATOM 0 HG12 VAL A 85 17.890 16.320 12.991 1.00 1.00 H new ATOM 0 HG13 VAL A 85 16.146 16.209 13.324 1.00 1.00 H new ATOM 0 HG21 VAL A 85 16.394 15.478 16.292 1.00 1.00 H new ATOM 0 HG22 VAL A 85 15.313 14.689 15.119 1.00 1.00 H new ATOM 0 HG23 VAL A 85 16.462 13.714 16.067 1.00 1.00 H new ATOM 837 N ASP A 86 18.825 12.033 14.179 1.00 1.00 N ATOM 838 CA ASP A 86 19.250 10.776 14.785 1.00 1.00 C ATOM 839 C ASP A 86 19.164 10.855 16.296 1.00 1.00 C ATOM 840 O ASP A 86 20.059 10.399 17.007 1.00 1.00 O ATOM 841 CB ASP A 86 20.684 10.446 14.367 1.00 1.00 C ATOM 842 CG ASP A 86 21.075 9.064 14.883 1.00 1.00 C ATOM 843 OD1 ASP A 86 20.308 8.499 15.644 1.00 1.00 O ATOM 844 OD2 ASP A 86 22.134 8.591 14.505 1.00 1.00 O ATOM 0 H ASP A 86 19.586 12.603 13.810 1.00 1.00 H new ATOM 0 HA ASP A 86 18.584 9.987 14.436 1.00 1.00 H new ATOM 0 HB2 ASP A 86 20.770 10.475 13.281 1.00 1.00 H new ATOM 0 HB3 ASP A 86 21.368 11.197 14.762 1.00 1.00 H new ATOM 849 N GLU A 87 18.071 11.425 16.780 1.00 1.00 N ATOM 850 CA GLU A 87 17.850 11.549 18.217 1.00 1.00 C ATOM 851 C GLU A 87 19.146 11.931 18.930 1.00 1.00 C ATOM 852 O GLU A 87 19.307 11.685 20.125 1.00 1.00 O ATOM 853 CB GLU A 87 17.317 10.214 18.781 1.00 1.00 C ATOM 854 CG GLU A 87 16.607 9.427 17.674 1.00 1.00 C ATOM 855 CD GLU A 87 15.958 8.175 18.256 1.00 1.00 C ATOM 856 OE1 GLU A 87 16.145 7.929 19.436 1.00 1.00 O ATOM 857 OE2 GLU A 87 15.283 7.483 17.512 1.00 1.00 O ATOM 0 H GLU A 87 17.323 11.809 16.202 1.00 1.00 H new ATOM 0 HA GLU A 87 17.115 12.335 18.389 1.00 1.00 H new ATOM 0 HB2 GLU A 87 18.140 9.626 19.187 1.00 1.00 H new ATOM 0 HB3 GLU A 87 16.627 10.406 19.603 1.00 1.00 H new ATOM 0 HG2 GLU A 87 15.850 10.052 17.201 1.00 1.00 H new ATOM 0 HG3 GLU A 87 17.321 9.149 16.899 1.00 1.00 H new ATOM 864 N GLY A 88 20.070 12.516 18.179 1.00 1.00 N ATOM 865 CA GLY A 88 21.364 12.917 18.731 1.00 1.00 C ATOM 866 C GLY A 88 21.386 14.406 19.041 1.00 1.00 C ATOM 867 O GLY A 88 21.502 14.808 20.198 1.00 1.00 O ATOM 0 H GLY A 88 19.951 12.724 17.188 1.00 1.00 H new ATOM 0 HA2 GLY A 88 21.568 12.350 19.639 1.00 1.00 H new ATOM 0 HA3 GLY A 88 22.156 12.678 18.021 1.00 1.00 H new ATOM 871 N MET A 89 21.274 15.218 17.999 1.00 1.00 N ATOM 872 CA MET A 89 21.281 16.664 18.168 1.00 1.00 C ATOM 873 C MET A 89 19.928 17.150 18.671 1.00 1.00 C ATOM 874 O MET A 89 18.908 16.490 18.476 1.00 1.00 O ATOM 875 CB MET A 89 21.605 17.339 16.837 1.00 1.00 C ATOM 876 CG MET A 89 20.447 17.128 15.862 1.00 1.00 C ATOM 877 SD MET A 89 21.018 17.424 14.171 1.00 1.00 S ATOM 878 CE MET A 89 21.793 15.810 13.886 1.00 1.00 C ATOM 0 H MET A 89 21.178 14.903 17.034 1.00 1.00 H new ATOM 0 HA MET A 89 22.043 16.924 18.903 1.00 1.00 H new ATOM 0 HB2 MET A 89 21.776 18.405 16.990 1.00 1.00 H new ATOM 0 HB3 MET A 89 22.524 16.925 16.422 1.00 1.00 H new ATOM 0 HG2 MET A 89 20.061 16.113 15.954 1.00 1.00 H new ATOM 0 HG3 MET A 89 19.627 17.804 16.104 1.00 1.00 H new ATOM 0 HE1 MET A 89 22.041 15.707 12.830 1.00 1.00 H new ATOM 0 HE2 MET A 89 22.703 15.733 14.481 1.00 1.00 H new ATOM 0 HE3 MET A 89 21.102 15.018 14.176 1.00 1.00 H new ATOM 888 N ASP A 90 19.930 18.309 19.318 1.00 1.00 N ATOM 889 CA ASP A 90 18.703 18.892 19.848 1.00 1.00 C ATOM 890 C ASP A 90 18.091 19.849 18.841 1.00 1.00 C ATOM 891 O ASP A 90 18.681 20.134 17.799 1.00 1.00 O ATOM 892 CB ASP A 90 18.998 19.639 21.151 1.00 1.00 C ATOM 893 CG ASP A 90 19.310 18.642 22.263 1.00 1.00 C ATOM 894 OD1 ASP A 90 19.056 17.465 22.063 1.00 1.00 O ATOM 895 OD2 ASP A 90 19.802 19.068 23.294 1.00 1.00 O ATOM 0 H ASP A 90 20.768 18.864 19.489 1.00 1.00 H new ATOM 0 HA ASP A 90 17.996 18.086 20.045 1.00 1.00 H new ATOM 0 HB2 ASP A 90 19.841 20.315 21.010 1.00 1.00 H new ATOM 0 HB3 ASP A 90 18.141 20.252 21.431 1.00 1.00 H new ATOM 900 N TYR A 91 16.905 20.347 19.160 1.00 1.00 N ATOM 901 CA TYR A 91 16.231 21.274 18.272 1.00 1.00 C ATOM 902 C TYR A 91 17.091 22.516 18.057 1.00 1.00 C ATOM 903 O TYR A 91 17.300 22.940 16.930 1.00 1.00 O ATOM 904 CB TYR A 91 14.853 21.668 18.871 1.00 1.00 C ATOM 905 CG TYR A 91 14.699 23.178 18.908 1.00 1.00 C ATOM 906 CD1 TYR A 91 15.186 23.891 20.006 1.00 1.00 C ATOM 907 CD2 TYR A 91 14.107 23.857 17.843 1.00 1.00 C ATOM 908 CE1 TYR A 91 15.076 25.284 20.043 1.00 1.00 C ATOM 909 CE2 TYR A 91 13.992 25.250 17.874 1.00 1.00 C ATOM 910 CZ TYR A 91 14.481 25.966 18.972 1.00 1.00 C ATOM 911 OH TYR A 91 14.376 27.341 19.001 1.00 1.00 O ATOM 0 H TYR A 91 16.397 20.126 20.017 1.00 1.00 H new ATOM 0 HA TYR A 91 16.072 20.792 17.307 1.00 1.00 H new ATOM 0 HB2 TYR A 91 14.053 21.230 18.275 1.00 1.00 H new ATOM 0 HB3 TYR A 91 14.759 21.263 19.878 1.00 1.00 H new ATOM 0 HD1 TYR A 91 15.648 23.365 20.828 1.00 1.00 H new ATOM 0 HD2 TYR A 91 13.736 23.305 16.992 1.00 1.00 H new ATOM 0 HE1 TYR A 91 15.448 25.834 20.895 1.00 1.00 H new ATOM 0 HE2 TYR A 91 13.526 25.773 17.052 1.00 1.00 H new ATOM 0 HH TYR A 91 13.940 27.653 18.181 1.00 1.00 H new ATOM 921 N GLU A 92 17.556 23.106 19.149 1.00 1.00 N ATOM 922 CA GLU A 92 18.350 24.327 19.064 1.00 1.00 C ATOM 923 C GLU A 92 19.505 24.161 18.088 1.00 1.00 C ATOM 924 O GLU A 92 19.842 25.085 17.349 1.00 1.00 O ATOM 925 CB GLU A 92 18.884 24.691 20.447 1.00 1.00 C ATOM 926 CG GLU A 92 19.690 23.517 21.006 1.00 1.00 C ATOM 927 CD GLU A 92 20.160 23.829 22.419 1.00 1.00 C ATOM 928 OE1 GLU A 92 20.463 24.981 22.680 1.00 1.00 O ATOM 929 OE2 GLU A 92 20.217 22.910 23.218 1.00 1.00 O ATOM 0 H GLU A 92 17.400 22.764 20.097 1.00 1.00 H new ATOM 0 HA GLU A 92 17.709 25.129 18.698 1.00 1.00 H new ATOM 0 HB2 GLU A 92 19.512 25.580 20.384 1.00 1.00 H new ATOM 0 HB3 GLU A 92 18.058 24.931 21.116 1.00 1.00 H new ATOM 0 HG2 GLU A 92 19.078 22.615 21.009 1.00 1.00 H new ATOM 0 HG3 GLU A 92 20.549 23.318 20.365 1.00 1.00 H new ATOM 936 N ARG A 93 20.105 22.978 18.092 1.00 1.00 N ATOM 937 CA ARG A 93 21.221 22.689 17.204 1.00 1.00 C ATOM 938 C ARG A 93 20.719 22.279 15.831 1.00 1.00 C ATOM 939 O ARG A 93 21.448 22.351 14.847 1.00 1.00 O ATOM 940 CB ARG A 93 22.072 21.574 17.793 1.00 1.00 C ATOM 941 CG ARG A 93 23.193 21.231 16.814 1.00 1.00 C ATOM 942 CD ARG A 93 24.159 20.284 17.486 1.00 1.00 C ATOM 943 NE ARG A 93 25.210 19.880 16.552 1.00 1.00 N ATOM 944 CZ ARG A 93 25.982 18.819 16.789 1.00 1.00 C ATOM 945 NH1 ARG A 93 25.812 18.113 17.873 1.00 1.00 N ATOM 946 NH2 ARG A 93 26.911 18.483 15.933 1.00 1.00 N ATOM 0 H ARG A 93 19.837 22.204 18.700 1.00 1.00 H new ATOM 0 HA ARG A 93 21.824 23.591 17.100 1.00 1.00 H new ATOM 0 HB2 ARG A 93 22.491 21.886 18.750 1.00 1.00 H new ATOM 0 HB3 ARG A 93 21.458 20.694 17.985 1.00 1.00 H new ATOM 0 HG2 ARG A 93 22.781 20.773 15.915 1.00 1.00 H new ATOM 0 HG3 ARG A 93 23.711 22.138 16.501 1.00 1.00 H new ATOM 0 HD2 ARG A 93 24.603 20.765 18.357 1.00 1.00 H new ATOM 0 HD3 ARG A 93 23.625 19.404 17.845 1.00 1.00 H new ATOM 0 HE ARG A 93 25.355 20.422 15.700 1.00 1.00 H new ATOM 0 HH11 ARG A 93 25.087 18.372 18.542 1.00 1.00 H new ATOM 0 HH12 ARG A 93 26.404 17.302 18.051 1.00 1.00 H new ATOM 0 HH21 ARG A 93 27.045 19.032 15.084 1.00 1.00 H new ATOM 0 HH22 ARG A 93 27.502 17.671 16.114 1.00 1.00 H new ATOM 960 N ALA A 94 19.482 21.821 15.770 1.00 1.00 N ATOM 961 CA ALA A 94 18.925 21.374 14.504 1.00 1.00 C ATOM 962 C ALA A 94 18.861 22.506 13.477 1.00 1.00 C ATOM 963 O ALA A 94 19.038 22.277 12.286 1.00 1.00 O ATOM 964 CB ALA A 94 17.524 20.821 14.710 1.00 1.00 C ATOM 0 H ALA A 94 18.851 21.749 16.568 1.00 1.00 H new ATOM 0 HA ALA A 94 19.586 20.596 14.122 1.00 1.00 H new ATOM 0 HB1 ALA A 94 17.119 20.490 13.754 1.00 1.00 H new ATOM 0 HB2 ALA A 94 17.564 19.977 15.399 1.00 1.00 H new ATOM 0 HB3 ALA A 94 16.883 21.599 15.126 1.00 1.00 H new ATOM 970 N LEU A 95 18.588 23.721 13.945 1.00 1.00 N ATOM 971 CA LEU A 95 18.467 24.879 13.055 1.00 1.00 C ATOM 972 C LEU A 95 19.771 25.121 12.309 1.00 1.00 C ATOM 973 O LEU A 95 19.769 25.421 11.116 1.00 1.00 O ATOM 974 CB LEU A 95 18.102 26.128 13.881 1.00 1.00 C ATOM 975 CG LEU A 95 16.593 26.169 14.152 1.00 1.00 C ATOM 976 CD1 LEU A 95 16.124 24.828 14.706 1.00 1.00 C ATOM 977 CD2 LEU A 95 16.301 27.264 15.172 1.00 1.00 C ATOM 0 H LEU A 95 18.446 23.932 14.933 1.00 1.00 H new ATOM 0 HA LEU A 95 17.682 24.679 12.326 1.00 1.00 H new ATOM 0 HB2 LEU A 95 18.647 26.119 14.825 1.00 1.00 H new ATOM 0 HB3 LEU A 95 18.406 27.027 13.345 1.00 1.00 H new ATOM 0 HG LEU A 95 16.065 26.374 13.221 1.00 1.00 H new ATOM 0 HD11 LEU A 95 15.051 24.868 14.895 1.00 1.00 H new ATOM 0 HD12 LEU A 95 16.336 24.041 13.982 1.00 1.00 H new ATOM 0 HD13 LEU A 95 16.649 24.615 15.637 1.00 1.00 H new ATOM 0 HD21 LEU A 95 15.230 27.300 15.371 1.00 1.00 H new ATOM 0 HD22 LEU A 95 16.835 27.050 16.098 1.00 1.00 H new ATOM 0 HD23 LEU A 95 16.629 28.226 14.778 1.00 1.00 H new ATOM 989 N ARG A 96 20.885 24.997 13.009 1.00 1.00 N ATOM 990 CA ARG A 96 22.174 25.214 12.377 1.00 1.00 C ATOM 991 C ARG A 96 22.462 24.086 11.389 1.00 1.00 C ATOM 992 O ARG A 96 23.275 24.234 10.483 1.00 1.00 O ATOM 993 CB ARG A 96 23.278 25.283 13.463 1.00 1.00 C ATOM 994 CG ARG A 96 24.010 23.935 13.600 1.00 1.00 C ATOM 995 CD ARG A 96 24.937 23.961 14.805 1.00 1.00 C ATOM 996 NE ARG A 96 25.574 22.656 14.952 1.00 1.00 N ATOM 997 CZ ARG A 96 26.585 22.294 14.172 1.00 1.00 C ATOM 998 NH1 ARG A 96 27.019 23.105 13.244 1.00 1.00 N ATOM 999 NH2 ARG A 96 27.137 21.122 14.323 1.00 1.00 N ATOM 0 H ARG A 96 20.924 24.752 13.998 1.00 1.00 H new ATOM 0 HA ARG A 96 22.159 26.157 11.831 1.00 1.00 H new ATOM 0 HB2 ARG A 96 23.994 26.064 13.208 1.00 1.00 H new ATOM 0 HB3 ARG A 96 22.834 25.557 14.420 1.00 1.00 H new ATOM 0 HG2 ARG A 96 23.285 23.128 13.707 1.00 1.00 H new ATOM 0 HG3 ARG A 96 24.583 23.730 12.696 1.00 1.00 H new ATOM 0 HD2 ARG A 96 25.694 24.736 14.680 1.00 1.00 H new ATOM 0 HD3 ARG A 96 24.375 24.207 15.706 1.00 1.00 H new ATOM 0 HE ARG A 96 25.236 22.011 15.666 1.00 1.00 H new ATOM 0 HH11 ARG A 96 26.581 24.017 13.118 1.00 1.00 H new ATOM 0 HH12 ARG A 96 27.796 22.826 12.645 1.00 1.00 H new ATOM 0 HH21 ARG A 96 26.792 20.484 15.040 1.00 1.00 H new ATOM 0 HH22 ARG A 96 27.914 20.843 13.724 1.00 1.00 H new ATOM 1013 N LEU A 97 21.830 22.942 11.610 1.00 1.00 N ATOM 1014 CA LEU A 97 22.072 21.786 10.761 1.00 1.00 C ATOM 1015 C LEU A 97 21.585 22.034 9.344 1.00 1.00 C ATOM 1016 O LEU A 97 22.238 21.666 8.369 1.00 1.00 O ATOM 1017 CB LEU A 97 21.380 20.547 11.365 1.00 1.00 C ATOM 1018 CG LEU A 97 22.396 19.408 11.535 1.00 1.00 C ATOM 1019 CD1 LEU A 97 23.054 19.078 10.168 1.00 1.00 C ATOM 1020 CD2 LEU A 97 23.467 19.816 12.585 1.00 1.00 C ATOM 0 H LEU A 97 21.155 22.791 12.359 1.00 1.00 H new ATOM 0 HA LEU A 97 23.146 21.608 10.712 1.00 1.00 H new ATOM 0 HB2 LEU A 97 20.940 20.800 12.330 1.00 1.00 H new ATOM 0 HB3 LEU A 97 20.564 20.224 10.718 1.00 1.00 H new ATOM 0 HG LEU A 97 21.886 18.513 11.892 1.00 1.00 H new ATOM 0 HD11 LEU A 97 23.773 18.269 10.296 1.00 1.00 H new ATOM 0 HD12 LEU A 97 22.285 18.771 9.459 1.00 1.00 H new ATOM 0 HD13 LEU A 97 23.566 19.962 9.788 1.00 1.00 H new ATOM 0 HD21 LEU A 97 24.187 19.006 12.704 1.00 1.00 H new ATOM 0 HD22 LEU A 97 23.984 20.714 12.247 1.00 1.00 H new ATOM 0 HD23 LEU A 97 22.982 20.014 13.541 1.00 1.00 H new ATOM 1032 N LEU A 98 20.426 22.658 9.253 1.00 1.00 N ATOM 1033 CA LEU A 98 19.815 22.970 7.961 1.00 1.00 C ATOM 1034 C LEU A 98 19.737 24.476 7.747 1.00 1.00 C ATOM 1035 O LEU A 98 19.136 24.934 6.776 1.00 1.00 O ATOM 1036 CB LEU A 98 18.411 22.336 7.885 1.00 1.00 C ATOM 1037 CG LEU A 98 17.379 23.181 8.646 1.00 1.00 C ATOM 1038 CD1 LEU A 98 15.968 22.745 8.266 1.00 1.00 C ATOM 1039 CD2 LEU A 98 17.585 23.024 10.157 1.00 1.00 C ATOM 0 H LEU A 98 19.881 22.963 10.059 1.00 1.00 H new ATOM 0 HA LEU A 98 20.437 22.553 7.168 1.00 1.00 H new ATOM 0 HB2 LEU A 98 18.108 22.240 6.842 1.00 1.00 H new ATOM 0 HB3 LEU A 98 18.440 21.330 8.303 1.00 1.00 H new ATOM 0 HG LEU A 98 17.512 24.229 8.377 1.00 1.00 H new ATOM 0 HD11 LEU A 98 15.242 23.349 8.810 1.00 1.00 H new ATOM 0 HD12 LEU A 98 15.822 22.879 7.194 1.00 1.00 H new ATOM 0 HD13 LEU A 98 15.830 21.694 8.522 1.00 1.00 H new ATOM 0 HD21 LEU A 98 16.849 23.627 10.689 1.00 1.00 H new ATOM 0 HD22 LEU A 98 17.465 21.977 10.434 1.00 1.00 H new ATOM 0 HD23 LEU A 98 18.588 23.357 10.424 1.00 1.00 H new ATOM 1051 N ARG A 99 20.323 25.238 8.663 1.00 1.00 N ATOM 1052 CA ARG A 99 20.296 26.688 8.567 1.00 1.00 C ATOM 1053 C ARG A 99 18.865 27.190 8.531 1.00 1.00 C ATOM 1054 O ARG A 99 18.471 27.881 7.591 1.00 1.00 O ATOM 1055 CB ARG A 99 21.033 27.148 7.309 1.00 1.00 C ATOM 1056 CG ARG A 99 22.533 26.896 7.479 1.00 1.00 C ATOM 1057 CD ARG A 99 22.824 25.390 7.461 1.00 1.00 C ATOM 1058 NE ARG A 99 24.226 25.154 7.150 1.00 1.00 N ATOM 1059 CZ ARG A 99 24.647 25.078 5.895 1.00 1.00 C ATOM 1060 NH1 ARG A 99 23.798 25.220 4.914 1.00 1.00 N ATOM 1061 NH2 ARG A 99 25.905 24.860 5.645 1.00 1.00 N ATOM 0 H ARG A 99 20.820 24.876 9.477 1.00 1.00 H new ATOM 0 HA ARG A 99 20.794 27.099 9.445 1.00 1.00 H new ATOM 0 HB2 ARG A 99 20.659 26.610 6.438 1.00 1.00 H new ATOM 0 HB3 ARG A 99 20.849 28.208 7.133 1.00 1.00 H new ATOM 0 HG2 ARG A 99 23.085 27.390 6.679 1.00 1.00 H new ATOM 0 HG3 ARG A 99 22.877 27.329 8.418 1.00 1.00 H new ATOM 0 HD2 ARG A 99 22.580 24.953 8.429 1.00 1.00 H new ATOM 0 HD3 ARG A 99 22.192 24.899 6.721 1.00 1.00 H new ATOM 0 HE ARG A 99 24.897 25.045 7.911 1.00 1.00 H new ATOM 0 HH11 ARG A 99 22.812 25.389 5.113 1.00 1.00 H new ATOM 0 HH12 ARG A 99 24.120 25.162 3.948 1.00 1.00 H new ATOM 0 HH21 ARG A 99 26.566 24.748 6.414 1.00 1.00 H new ATOM 0 HH22 ARG A 99 26.230 24.801 4.680 1.00 1.00 H new ATOM 1075 N LEU A 100 18.081 26.849 9.560 1.00 1.00 N ATOM 1076 CA LEU A 100 16.690 27.298 9.617 1.00 1.00 C ATOM 1077 C LEU A 100 16.536 28.430 10.642 1.00 1.00 C ATOM 1078 O LEU A 100 16.625 28.190 11.846 1.00 1.00 O ATOM 1079 CB LEU A 100 15.760 26.148 10.009 1.00 1.00 C ATOM 1080 CG LEU A 100 14.316 26.472 9.595 1.00 1.00 C ATOM 1081 CD1 LEU A 100 14.126 26.306 8.071 1.00 1.00 C ATOM 1082 CD2 LEU A 100 13.365 25.524 10.339 1.00 1.00 C ATOM 0 H LEU A 100 18.380 26.275 10.349 1.00 1.00 H new ATOM 0 HA LEU A 100 16.418 27.658 8.625 1.00 1.00 H new ATOM 0 HB2 LEU A 100 16.086 25.226 9.528 1.00 1.00 H new ATOM 0 HB3 LEU A 100 15.809 25.981 11.085 1.00 1.00 H new ATOM 0 HG LEU A 100 14.098 27.508 9.853 1.00 1.00 H new ATOM 0 HD11 LEU A 100 13.095 26.541 7.805 1.00 1.00 H new ATOM 0 HD12 LEU A 100 14.800 26.982 7.545 1.00 1.00 H new ATOM 0 HD13 LEU A 100 14.348 25.278 7.787 1.00 1.00 H new ATOM 0 HD21 LEU A 100 12.336 25.743 10.054 1.00 1.00 H new ATOM 0 HD22 LEU A 100 13.602 24.493 10.078 1.00 1.00 H new ATOM 0 HD23 LEU A 100 13.481 25.662 11.414 1.00 1.00 H new ATOM 1094 N PRO A 101 16.286 29.640 10.205 1.00 1.00 N ATOM 1095 CA PRO A 101 16.094 30.794 11.130 1.00 1.00 C ATOM 1096 C PRO A 101 15.069 30.496 12.222 1.00 1.00 C ATOM 1097 O PRO A 101 15.259 30.857 13.383 1.00 1.00 O ATOM 1098 CB PRO A 101 15.589 31.915 10.213 1.00 1.00 C ATOM 1099 CG PRO A 101 16.073 31.562 8.845 1.00 1.00 C ATOM 1100 CD PRO A 101 16.173 30.043 8.794 1.00 1.00 C ATOM 0 HA PRO A 101 17.013 31.045 11.660 1.00 1.00 H new ATOM 0 HB2 PRO A 101 14.501 31.983 10.239 1.00 1.00 H new ATOM 0 HB3 PRO A 101 15.976 32.884 10.528 1.00 1.00 H new ATOM 0 HG2 PRO A 101 15.385 31.930 8.084 1.00 1.00 H new ATOM 0 HG3 PRO A 101 17.042 32.020 8.647 1.00 1.00 H new ATOM 0 HD2 PRO A 101 15.294 29.602 8.323 1.00 1.00 H new ATOM 0 HD3 PRO A 101 17.040 29.720 8.217 1.00 1.00 H new ATOM 1108 N GLN A 102 13.987 29.831 11.837 1.00 1.00 N ATOM 1109 CA GLN A 102 12.938 29.486 12.795 1.00 1.00 C ATOM 1110 C GLN A 102 11.888 28.598 12.146 1.00 1.00 C ATOM 1111 O GLN A 102 11.456 28.850 11.022 1.00 1.00 O ATOM 1112 CB GLN A 102 12.268 30.751 13.328 1.00 1.00 C ATOM 1113 CG GLN A 102 11.226 30.365 14.375 1.00 1.00 C ATOM 1114 CD GLN A 102 10.684 31.620 15.052 1.00 1.00 C ATOM 1115 OE1 GLN A 102 9.478 31.867 15.034 1.00 1.00 O ATOM 1116 NE2 GLN A 102 11.511 32.441 15.642 1.00 1.00 N ATOM 0 H GLN A 102 13.811 29.522 10.881 1.00 1.00 H new ATOM 0 HA GLN A 102 13.401 28.945 13.620 1.00 1.00 H new ATOM 0 HB2 GLN A 102 13.013 31.414 13.767 1.00 1.00 H new ATOM 0 HB3 GLN A 102 11.796 31.298 12.512 1.00 1.00 H new ATOM 0 HG2 GLN A 102 10.412 29.814 13.905 1.00 1.00 H new ATOM 0 HG3 GLN A 102 11.671 29.703 15.118 1.00 1.00 H new ATOM 0 HE21 GLN A 102 12.510 32.236 15.656 1.00 1.00 H new ATOM 0 HE22 GLN A 102 11.158 33.287 16.088 1.00 1.00 H new ATOM 1125 N LEU A 103 11.484 27.552 12.862 1.00 1.00 N ATOM 1126 CA LEU A 103 10.492 26.628 12.334 1.00 1.00 C ATOM 1127 C LEU A 103 9.234 27.371 11.871 1.00 1.00 C ATOM 1128 O LEU A 103 8.494 27.910 12.694 1.00 1.00 O ATOM 1129 CB LEU A 103 10.115 25.575 13.386 1.00 1.00 C ATOM 1130 CG LEU A 103 11.198 24.465 13.442 1.00 1.00 C ATOM 1131 CD1 LEU A 103 12.291 24.861 14.431 1.00 1.00 C ATOM 1132 CD2 LEU A 103 10.567 23.134 13.867 1.00 1.00 C ATOM 0 H LEU A 103 11.824 27.327 13.797 1.00 1.00 H new ATOM 0 HA LEU A 103 10.936 26.127 11.473 1.00 1.00 H new ATOM 0 HB2 LEU A 103 10.015 26.046 14.364 1.00 1.00 H new ATOM 0 HB3 LEU A 103 9.147 25.137 13.143 1.00 1.00 H new ATOM 0 HG LEU A 103 11.636 24.346 12.451 1.00 1.00 H new ATOM 0 HD11 LEU A 103 13.049 24.079 14.467 1.00 1.00 H new ATOM 0 HD12 LEU A 103 12.750 25.797 14.111 1.00 1.00 H new ATOM 0 HD13 LEU A 103 11.856 24.991 15.422 1.00 1.00 H new ATOM 0 HD21 LEU A 103 11.336 22.362 13.903 1.00 1.00 H new ATOM 0 HD22 LEU A 103 10.116 23.244 14.853 1.00 1.00 H new ATOM 0 HD23 LEU A 103 9.800 22.849 13.147 1.00 1.00 H new ATOM 1144 N PRO A 104 8.973 27.405 10.579 1.00 1.00 N ATOM 1145 CA PRO A 104 7.771 28.095 10.032 1.00 1.00 C ATOM 1146 C PRO A 104 6.481 27.670 10.748 1.00 1.00 C ATOM 1147 O PRO A 104 6.519 26.917 11.724 1.00 1.00 O ATOM 1148 CB PRO A 104 7.752 27.681 8.550 1.00 1.00 C ATOM 1149 CG PRO A 104 9.155 27.294 8.216 1.00 1.00 C ATOM 1150 CD PRO A 104 9.786 26.793 9.507 1.00 1.00 C ATOM 0 HA PRO A 104 7.820 29.175 10.171 1.00 1.00 H new ATOM 0 HB2 PRO A 104 7.067 26.849 8.386 1.00 1.00 H new ATOM 0 HB3 PRO A 104 7.413 28.502 7.919 1.00 1.00 H new ATOM 0 HG2 PRO A 104 9.171 26.518 7.450 1.00 1.00 H new ATOM 0 HG3 PRO A 104 9.708 28.145 7.819 1.00 1.00 H new ATOM 0 HD2 PRO A 104 9.763 25.705 9.564 1.00 1.00 H new ATOM 0 HD3 PRO A 104 10.831 27.094 9.581 1.00 1.00 H new ATOM 1158 N PRO A 105 5.348 28.132 10.274 1.00 1.00 N ATOM 1159 CA PRO A 105 4.022 27.790 10.869 1.00 1.00 C ATOM 1160 C PRO A 105 3.766 26.288 10.871 1.00 1.00 C ATOM 1161 O PRO A 105 3.618 25.671 9.816 1.00 1.00 O ATOM 1162 CB PRO A 105 3.011 28.522 9.963 1.00 1.00 C ATOM 1163 CG PRO A 105 3.797 29.594 9.282 1.00 1.00 C ATOM 1164 CD PRO A 105 5.201 29.029 9.118 1.00 1.00 C ATOM 0 HA PRO A 105 3.953 28.090 11.915 1.00 1.00 H new ATOM 0 HB2 PRO A 105 2.566 27.840 9.239 1.00 1.00 H new ATOM 0 HB3 PRO A 105 2.193 28.944 10.547 1.00 1.00 H new ATOM 0 HG2 PRO A 105 3.361 29.847 8.316 1.00 1.00 H new ATOM 0 HG3 PRO A 105 3.809 30.508 9.875 1.00 1.00 H new ATOM 0 HD2 PRO A 105 5.310 28.491 8.176 1.00 1.00 H new ATOM 0 HD3 PRO A 105 5.954 29.817 9.123 1.00 1.00 H new ATOM 1172 N GLY A 106 3.706 25.708 12.058 1.00 1.00 N ATOM 1173 CA GLY A 106 3.459 24.281 12.186 1.00 1.00 C ATOM 1174 C GLY A 106 4.766 23.521 12.227 1.00 1.00 C ATOM 1175 O GLY A 106 5.088 22.940 13.251 1.00 1.00 O ATOM 0 H GLY A 106 3.824 26.200 12.943 1.00 1.00 H new ATOM 0 HA2 GLY A 106 2.888 24.084 13.093 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.855 23.933 11.348 1.00 1.00 H new ATOM 1179 N ALA A 107 5.507 23.536 11.102 1.00 1.00 N ATOM 1180 CA ALA A 107 6.802 22.839 10.991 1.00 1.00 C ATOM 1181 C ALA A 107 7.324 22.408 12.359 1.00 1.00 C ATOM 1182 O ALA A 107 7.417 23.225 13.274 1.00 1.00 O ATOM 1183 CB ALA A 107 7.836 23.751 10.327 1.00 1.00 C ATOM 0 H ALA A 107 5.228 24.027 10.253 1.00 1.00 H new ATOM 0 HA ALA A 107 6.644 21.949 10.382 1.00 1.00 H new ATOM 0 HB1 ALA A 107 8.788 23.226 10.250 1.00 1.00 H new ATOM 0 HB2 ALA A 107 7.492 24.026 9.330 1.00 1.00 H new ATOM 0 HB3 ALA A 107 7.966 24.652 10.927 1.00 1.00 H new ATOM 1189 N GLN A 108 7.627 21.122 12.503 1.00 1.00 N ATOM 1190 CA GLN A 108 8.107 20.590 13.777 1.00 1.00 C ATOM 1191 C GLN A 108 9.313 19.703 13.556 1.00 1.00 C ATOM 1192 O GLN A 108 9.501 19.148 12.474 1.00 1.00 O ATOM 1193 CB GLN A 108 7.007 19.767 14.452 1.00 1.00 C ATOM 1194 CG GLN A 108 5.702 20.553 14.431 1.00 1.00 C ATOM 1195 CD GLN A 108 4.628 19.832 15.243 1.00 1.00 C ATOM 1196 OE1 GLN A 108 4.846 19.507 16.409 1.00 1.00 O ATOM 1197 NE2 GLN A 108 3.472 19.565 14.695 1.00 1.00 N ATOM 0 H GLN A 108 7.550 20.430 11.758 1.00 1.00 H new ATOM 0 HA GLN A 108 8.383 21.430 14.414 1.00 1.00 H new ATOM 0 HB2 GLN A 108 6.880 18.816 13.935 1.00 1.00 H new ATOM 0 HB3 GLN A 108 7.289 19.536 15.479 1.00 1.00 H new ATOM 0 HG2 GLN A 108 5.865 21.551 14.839 1.00 1.00 H new ATOM 0 HG3 GLN A 108 5.364 20.680 13.403 1.00 1.00 H new ATOM 0 HE21 GLN A 108 3.292 19.835 13.728 1.00 1.00 H new ATOM 0 HE22 GLN A 108 2.750 19.087 15.234 1.00 1.00 H new ATOM 1206 N LEU A 109 10.121 19.556 14.594 1.00 1.00 N ATOM 1207 CA LEU A 109 11.303 18.715 14.515 1.00 1.00 C ATOM 1208 C LEU A 109 11.000 17.357 15.106 1.00 1.00 C ATOM 1209 O LEU A 109 10.764 17.244 16.300 1.00 1.00 O ATOM 1210 CB LEU A 109 12.455 19.370 15.296 1.00 1.00 C ATOM 1211 CG LEU A 109 13.311 20.262 14.362 1.00 1.00 C ATOM 1212 CD1 LEU A 109 13.722 21.547 15.078 1.00 1.00 C ATOM 1213 CD2 LEU A 109 14.571 19.497 13.944 1.00 1.00 C ATOM 0 H LEU A 109 9.980 20.007 15.498 1.00 1.00 H new ATOM 0 HA LEU A 109 11.593 18.598 13.471 1.00 1.00 H new ATOM 0 HB2 LEU A 109 12.053 19.970 16.112 1.00 1.00 H new ATOM 0 HB3 LEU A 109 13.081 18.599 15.745 1.00 1.00 H new ATOM 0 HG LEU A 109 12.718 20.519 13.484 1.00 1.00 H new ATOM 0 HD11 LEU A 109 14.323 22.161 14.407 1.00 1.00 H new ATOM 0 HD12 LEU A 109 12.830 22.099 15.375 1.00 1.00 H new ATOM 0 HD13 LEU A 109 14.307 21.299 15.964 1.00 1.00 H new ATOM 0 HD21 LEU A 109 15.175 20.122 13.287 1.00 1.00 H new ATOM 0 HD22 LEU A 109 15.150 19.237 14.830 1.00 1.00 H new ATOM 0 HD23 LEU A 109 14.286 18.586 13.417 1.00 1.00 H new ATOM 1225 N VAL A 110 10.996 16.340 14.256 1.00 1.00 N ATOM 1226 CA VAL A 110 10.697 14.983 14.685 1.00 1.00 C ATOM 1227 C VAL A 110 11.967 14.152 14.688 1.00 1.00 C ATOM 1228 O VAL A 110 13.004 14.582 14.189 1.00 1.00 O ATOM 1229 CB VAL A 110 9.679 14.352 13.728 1.00 1.00 C ATOM 1230 CG1 VAL A 110 8.543 15.339 13.451 1.00 1.00 C ATOM 1231 CG2 VAL A 110 10.367 13.999 12.400 1.00 1.00 C ATOM 0 H VAL A 110 11.198 16.431 13.260 1.00 1.00 H new ATOM 0 HA VAL A 110 10.281 15.012 15.692 1.00 1.00 H new ATOM 0 HB VAL A 110 9.276 13.449 14.187 1.00 1.00 H new ATOM 0 HG11 VAL A 110 7.823 14.884 12.770 1.00 1.00 H new ATOM 0 HG12 VAL A 110 8.046 15.594 14.387 1.00 1.00 H new ATOM 0 HG13 VAL A 110 8.949 16.243 12.998 1.00 1.00 H new ATOM 0 HG21 VAL A 110 9.641 13.551 11.722 1.00 1.00 H new ATOM 0 HG22 VAL A 110 10.774 14.904 11.949 1.00 1.00 H new ATOM 0 HG23 VAL A 110 11.175 13.291 12.586 1.00 1.00 H new ATOM 1241 N LYS A 111 11.882 12.970 15.275 1.00 1.00 N ATOM 1242 CA LYS A 111 13.034 12.078 15.365 1.00 1.00 C ATOM 1243 C LYS A 111 12.933 10.960 14.334 1.00 1.00 C ATOM 1244 O LYS A 111 12.003 10.915 13.528 1.00 1.00 O ATOM 1245 CB LYS A 111 13.092 11.490 16.781 1.00 1.00 C ATOM 1246 CG LYS A 111 13.879 12.433 17.721 1.00 1.00 C ATOM 1247 CD LYS A 111 13.321 12.361 19.150 1.00 1.00 C ATOM 1248 CE LYS A 111 13.172 10.902 19.593 1.00 1.00 C ATOM 1249 NZ LYS A 111 14.292 10.095 19.032 1.00 1.00 N ATOM 0 H LYS A 111 11.029 12.603 15.697 1.00 1.00 H new ATOM 0 HA LYS A 111 13.944 12.641 15.159 1.00 1.00 H new ATOM 0 HB2 LYS A 111 12.082 11.344 17.163 1.00 1.00 H new ATOM 0 HB3 LYS A 111 13.568 10.510 16.756 1.00 1.00 H new ATOM 0 HG2 LYS A 111 14.933 12.157 17.722 1.00 1.00 H new ATOM 0 HG3 LYS A 111 13.818 13.457 17.352 1.00 1.00 H new ATOM 0 HD2 LYS A 111 13.986 12.889 19.834 1.00 1.00 H new ATOM 0 HD3 LYS A 111 12.354 12.862 19.195 1.00 1.00 H new ATOM 0 HE2 LYS A 111 13.174 10.839 20.681 1.00 1.00 H new ATOM 0 HE3 LYS A 111 12.216 10.503 19.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 13.942 9.518 18.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 15.041 10.731 18.692 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 14.676 9.472 19.771 1.00 1.00 H new ATOM 1263 N SER A 112 13.911 10.065 14.366 1.00 1.00 N ATOM 1264 CA SER A 112 13.949 8.949 13.432 1.00 1.00 C ATOM 1265 C SER A 112 12.713 8.074 13.586 1.00 1.00 C ATOM 1266 O SER A 112 12.154 7.597 12.600 1.00 1.00 O ATOM 1267 CB SER A 112 15.203 8.109 13.670 1.00 1.00 C ATOM 1268 OG SER A 112 16.344 8.958 13.662 1.00 1.00 O ATOM 0 H SER A 112 14.687 10.090 15.027 1.00 1.00 H new ATOM 0 HA SER A 112 13.969 9.352 12.420 1.00 1.00 H new ATOM 0 HB2 SER A 112 15.130 7.587 14.624 1.00 1.00 H new ATOM 0 HB3 SER A 112 15.297 7.347 12.896 1.00 1.00 H new ATOM 0 HG SER A 112 17.122 8.457 13.340 1.00 1.00 H new ATOM 1274 N ALA A 113 12.293 7.863 14.829 1.00 1.00 N ATOM 1275 CA ALA A 113 11.124 7.033 15.096 1.00 1.00 C ATOM 1276 C ALA A 113 9.919 7.530 14.306 1.00 1.00 C ATOM 1277 O ALA A 113 9.135 6.735 13.788 1.00 1.00 O ATOM 1278 CB ALA A 113 10.798 7.057 16.588 1.00 1.00 C ATOM 0 H ALA A 113 12.739 8.251 15.660 1.00 1.00 H new ATOM 0 HA ALA A 113 11.351 6.012 14.787 1.00 1.00 H new ATOM 0 HB1 ALA A 113 9.924 6.435 16.779 1.00 1.00 H new ATOM 0 HB2 ALA A 113 11.648 6.673 17.152 1.00 1.00 H new ATOM 0 HB3 ALA A 113 10.590 8.081 16.898 1.00 1.00 H new ATOM 1284 N TRP A 114 9.775 8.845 14.212 1.00 1.00 N ATOM 1285 CA TRP A 114 8.658 9.423 13.477 1.00 1.00 C ATOM 1286 C TRP A 114 8.698 8.999 12.016 1.00 1.00 C ATOM 1287 O TRP A 114 7.683 8.600 11.447 1.00 1.00 O ATOM 1288 CB TRP A 114 8.718 10.945 13.563 1.00 1.00 C ATOM 1289 CG TRP A 114 7.665 11.550 12.689 1.00 1.00 C ATOM 1290 CD1 TRP A 114 6.406 11.854 13.080 1.00 1.00 C ATOM 1291 CD2 TRP A 114 7.758 11.920 11.283 1.00 1.00 C ATOM 1292 NE1 TRP A 114 5.726 12.397 12.007 1.00 1.00 N ATOM 1293 CE2 TRP A 114 6.513 12.454 10.878 1.00 1.00 C ATOM 1294 CE3 TRP A 114 8.789 11.847 10.328 1.00 1.00 C ATOM 1295 CZ2 TRP A 114 6.299 12.900 9.577 1.00 1.00 C ATOM 1296 CZ3 TRP A 114 8.574 12.299 9.019 1.00 1.00 C ATOM 1297 CH2 TRP A 114 7.333 12.821 8.645 1.00 1.00 C ATOM 0 H TRP A 114 10.410 9.525 14.630 1.00 1.00 H new ATOM 0 HA TRP A 114 7.730 9.064 13.922 1.00 1.00 H new ATOM 0 HB2 TRP A 114 8.573 11.265 14.595 1.00 1.00 H new ATOM 0 HB3 TRP A 114 9.703 11.296 13.256 1.00 1.00 H new ATOM 0 HD1 TRP A 114 5.999 11.698 14.068 1.00 1.00 H new ATOM 0 HE1 TRP A 114 4.758 12.717 12.046 1.00 1.00 H new ATOM 0 HE3 TRP A 114 9.751 11.441 10.605 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 5.339 13.304 9.292 1.00 1.00 H new ATOM 0 HZ3 TRP A 114 9.373 12.243 8.294 1.00 1.00 H new ATOM 0 HH2 TRP A 114 7.175 13.164 7.633 1.00 1.00 H new ATOM 1308 N LEU A 115 9.868 9.102 11.403 1.00 1.00 N ATOM 1309 CA LEU A 115 9.996 8.739 10.002 1.00 1.00 C ATOM 1310 C LEU A 115 9.624 7.273 9.801 1.00 1.00 C ATOM 1311 O LEU A 115 8.796 6.942 8.950 1.00 1.00 O ATOM 1312 CB LEU A 115 11.441 8.991 9.535 1.00 1.00 C ATOM 1313 CG LEU A 115 11.455 9.603 8.122 1.00 1.00 C ATOM 1314 CD1 LEU A 115 12.912 9.853 7.659 1.00 1.00 C ATOM 1315 CD2 LEU A 115 10.753 8.640 7.147 1.00 1.00 C ATOM 0 H LEU A 115 10.728 9.428 11.845 1.00 1.00 H new ATOM 0 HA LEU A 115 9.317 9.352 9.410 1.00 1.00 H new ATOM 0 HB2 LEU A 115 11.943 9.662 10.233 1.00 1.00 H new ATOM 0 HB3 LEU A 115 11.998 8.054 9.537 1.00 1.00 H new ATOM 0 HG LEU A 115 10.928 10.557 8.138 1.00 1.00 H new ATOM 0 HD11 LEU A 115 12.907 10.286 6.659 1.00 1.00 H new ATOM 0 HD12 LEU A 115 13.400 10.541 8.349 1.00 1.00 H new ATOM 0 HD13 LEU A 115 13.456 8.908 7.643 1.00 1.00 H new ATOM 0 HD21 LEU A 115 10.760 9.068 6.145 1.00 1.00 H new ATOM 0 HD22 LEU A 115 11.278 7.685 7.137 1.00 1.00 H new ATOM 0 HD23 LEU A 115 9.723 8.484 7.468 1.00 1.00 H new ATOM 1327 N SER A 116 10.245 6.399 10.584 1.00 1.00 N ATOM 1328 CA SER A 116 9.973 4.978 10.474 1.00 1.00 C ATOM 1329 C SER A 116 8.472 4.730 10.530 1.00 1.00 C ATOM 1330 O SER A 116 7.935 3.928 9.771 1.00 1.00 O ATOM 1331 CB SER A 116 10.665 4.234 11.617 1.00 1.00 C ATOM 1332 OG SER A 116 10.207 4.760 12.856 1.00 1.00 O ATOM 0 H SER A 116 10.933 6.649 11.294 1.00 1.00 H new ATOM 0 HA SER A 116 10.356 4.612 9.521 1.00 1.00 H new ATOM 0 HB2 SER A 116 10.448 3.167 11.558 1.00 1.00 H new ATOM 0 HB3 SER A 116 11.747 4.344 11.538 1.00 1.00 H new ATOM 0 HG SER A 116 10.047 5.723 12.764 1.00 1.00 H new ATOM 1338 N LEU A 117 7.801 5.429 11.428 1.00 1.00 N ATOM 1339 CA LEU A 117 6.361 5.272 11.557 1.00 1.00 C ATOM 1340 C LEU A 117 5.682 5.668 10.248 1.00 1.00 C ATOM 1341 O LEU A 117 4.890 4.904 9.693 1.00 1.00 O ATOM 1342 CB LEU A 117 5.856 6.155 12.701 1.00 1.00 C ATOM 1343 CG LEU A 117 6.099 5.462 14.056 1.00 1.00 C ATOM 1344 CD1 LEU A 117 6.219 6.520 15.160 1.00 1.00 C ATOM 1345 CD2 LEU A 117 4.923 4.527 14.381 1.00 1.00 C ATOM 0 H LEU A 117 8.221 6.101 12.070 1.00 1.00 H new ATOM 0 HA LEU A 117 6.123 4.231 11.776 1.00 1.00 H new ATOM 0 HB2 LEU A 117 6.367 7.118 12.680 1.00 1.00 H new ATOM 0 HB3 LEU A 117 4.792 6.356 12.573 1.00 1.00 H new ATOM 0 HG LEU A 117 7.020 4.882 13.999 1.00 1.00 H new ATOM 0 HD11 LEU A 117 6.391 6.029 16.118 1.00 1.00 H new ATOM 0 HD12 LEU A 117 7.054 7.184 14.938 1.00 1.00 H new ATOM 0 HD13 LEU A 117 5.297 7.100 15.210 1.00 1.00 H new ATOM 0 HD21 LEU A 117 5.100 4.040 15.340 1.00 1.00 H new ATOM 0 HD22 LEU A 117 4.001 5.106 14.433 1.00 1.00 H new ATOM 0 HD23 LEU A 117 4.833 3.771 13.601 1.00 1.00 H new ATOM 1357 N CYS A 118 5.993 6.863 9.760 1.00 1.00 N ATOM 1358 CA CYS A 118 5.404 7.340 8.520 1.00 1.00 C ATOM 1359 C CYS A 118 5.560 6.279 7.435 1.00 1.00 C ATOM 1360 O CYS A 118 4.676 6.100 6.601 1.00 1.00 O ATOM 1361 CB CYS A 118 6.090 8.647 8.086 1.00 1.00 C ATOM 1362 SG CYS A 118 5.240 10.061 8.830 1.00 1.00 S ATOM 0 H CYS A 118 6.644 7.513 10.201 1.00 1.00 H new ATOM 0 HA CYS A 118 4.343 7.534 8.676 1.00 1.00 H new ATOM 0 HB2 CYS A 118 7.136 8.638 8.391 1.00 1.00 H new ATOM 0 HB3 CYS A 118 6.076 8.733 6.999 1.00 1.00 H new ATOM 0 HG CYS A 118 6.117 10.930 9.236 1.00 1.00 H new ATOM 1368 N LEU A 119 6.688 5.581 7.458 1.00 1.00 N ATOM 1369 CA LEU A 119 6.941 4.536 6.474 1.00 1.00 C ATOM 1370 C LEU A 119 6.014 3.351 6.702 1.00 1.00 C ATOM 1371 O LEU A 119 5.325 2.896 5.788 1.00 1.00 O ATOM 1372 CB LEU A 119 8.410 4.089 6.569 1.00 1.00 C ATOM 1373 CG LEU A 119 9.306 5.054 5.762 1.00 1.00 C ATOM 1374 CD1 LEU A 119 10.723 5.056 6.345 1.00 1.00 C ATOM 1375 CD2 LEU A 119 9.359 4.612 4.288 1.00 1.00 C ATOM 0 H LEU A 119 7.435 5.717 8.139 1.00 1.00 H new ATOM 0 HA LEU A 119 6.748 4.932 5.477 1.00 1.00 H new ATOM 0 HB2 LEU A 119 8.727 4.071 7.612 1.00 1.00 H new ATOM 0 HB3 LEU A 119 8.516 3.074 6.186 1.00 1.00 H new ATOM 0 HG LEU A 119 8.888 6.059 5.822 1.00 1.00 H new ATOM 0 HD11 LEU A 119 11.351 5.738 5.772 1.00 1.00 H new ATOM 0 HD12 LEU A 119 10.688 5.381 7.385 1.00 1.00 H new ATOM 0 HD13 LEU A 119 11.139 4.050 6.293 1.00 1.00 H new ATOM 0 HD21 LEU A 119 9.993 5.297 3.725 1.00 1.00 H new ATOM 0 HD22 LEU A 119 9.769 3.604 4.225 1.00 1.00 H new ATOM 0 HD23 LEU A 119 8.353 4.621 3.869 1.00 1.00 H new ATOM 1387 N GLN A 120 6.011 2.855 7.926 1.00 1.00 N ATOM 1388 CA GLN A 120 5.175 1.715 8.269 1.00 1.00 C ATOM 1389 C GLN A 120 3.712 2.055 8.046 1.00 1.00 C ATOM 1390 O GLN A 120 2.892 1.176 7.779 1.00 1.00 O ATOM 1391 CB GLN A 120 5.391 1.320 9.732 1.00 1.00 C ATOM 1392 CG GLN A 120 6.830 0.847 9.922 1.00 1.00 C ATOM 1393 CD GLN A 120 7.082 0.516 11.391 1.00 1.00 C ATOM 1394 OE1 GLN A 120 6.280 -0.178 12.018 1.00 1.00 O ATOM 1395 NE2 GLN A 120 8.153 0.973 11.982 1.00 1.00 N ATOM 0 H GLN A 120 6.573 3.219 8.695 1.00 1.00 H new ATOM 0 HA GLN A 120 5.452 0.877 7.629 1.00 1.00 H new ATOM 0 HB2 GLN A 120 5.187 2.170 10.384 1.00 1.00 H new ATOM 0 HB3 GLN A 120 4.696 0.529 10.013 1.00 1.00 H new ATOM 0 HG2 GLN A 120 7.017 -0.032 9.306 1.00 1.00 H new ATOM 0 HG3 GLN A 120 7.522 1.621 9.591 1.00 1.00 H new ATOM 0 HE21 GLN A 120 8.817 1.547 11.462 1.00 1.00 H new ATOM 0 HE22 GLN A 120 8.326 0.755 12.963 1.00 1.00 H new ATOM 1404 N GLU A 121 3.387 3.344 8.155 1.00 1.00 N ATOM 1405 CA GLU A 121 2.013 3.804 7.962 1.00 1.00 C ATOM 1406 C GLU A 121 1.861 4.458 6.594 1.00 1.00 C ATOM 1407 O GLU A 121 0.763 4.840 6.194 1.00 1.00 O ATOM 1408 CB GLU A 121 1.645 4.806 9.057 1.00 1.00 C ATOM 1409 CG GLU A 121 1.741 4.131 10.427 1.00 1.00 C ATOM 1410 CD GLU A 121 0.703 3.019 10.535 1.00 1.00 C ATOM 1411 OE1 GLU A 121 -0.242 3.043 9.763 1.00 1.00 O ATOM 1412 OE2 GLU A 121 0.868 2.162 11.386 1.00 1.00 O ATOM 0 H GLU A 121 4.054 4.084 8.375 1.00 1.00 H new ATOM 0 HA GLU A 121 1.344 2.945 8.017 1.00 1.00 H new ATOM 0 HB2 GLU A 121 2.314 5.666 9.017 1.00 1.00 H new ATOM 0 HB3 GLU A 121 0.634 5.181 8.896 1.00 1.00 H new ATOM 0 HG2 GLU A 121 2.741 3.721 10.570 1.00 1.00 H new ATOM 0 HG3 GLU A 121 1.582 4.866 11.216 1.00 1.00 H new ATOM 1419 N ARG A 122 2.971 4.576 5.882 1.00 1.00 N ATOM 1420 CA ARG A 122 2.957 5.182 4.553 1.00 1.00 C ATOM 1421 C ARG A 122 2.109 6.450 4.547 1.00 1.00 C ATOM 1422 O ARG A 122 1.256 6.637 3.680 1.00 1.00 O ATOM 1423 CB ARG A 122 2.402 4.192 3.527 1.00 1.00 C ATOM 1424 CG ARG A 122 3.171 2.866 3.600 1.00 1.00 C ATOM 1425 CD ARG A 122 4.555 3.019 2.961 1.00 1.00 C ATOM 1426 NE ARG A 122 5.223 1.729 2.900 1.00 1.00 N ATOM 1427 CZ ARG A 122 6.525 1.648 2.657 1.00 1.00 C ATOM 1428 NH1 ARG A 122 7.222 2.736 2.468 1.00 1.00 N ATOM 1429 NH2 ARG A 122 7.106 0.484 2.607 1.00 1.00 N ATOM 0 H ARG A 122 3.889 4.263 6.197 1.00 1.00 H new ATOM 0 HA ARG A 122 3.982 5.442 4.288 1.00 1.00 H new ATOM 0 HB2 ARG A 122 1.343 4.017 3.716 1.00 1.00 H new ATOM 0 HB3 ARG A 122 2.482 4.613 2.525 1.00 1.00 H new ATOM 0 HG2 ARG A 122 3.275 2.555 4.639 1.00 1.00 H new ATOM 0 HG3 ARG A 122 2.611 2.084 3.088 1.00 1.00 H new ATOM 0 HD2 ARG A 122 4.457 3.434 1.958 1.00 1.00 H new ATOM 0 HD3 ARG A 122 5.155 3.721 3.539 1.00 1.00 H new ATOM 0 HE ARG A 122 4.684 0.875 3.046 1.00 1.00 H new ATOM 0 HH11 ARG A 122 6.766 3.647 2.507 1.00 1.00 H new ATOM 0 HH12 ARG A 122 8.223 2.674 2.281 1.00 1.00 H new ATOM 0 HH21 ARG A 122 6.560 -0.365 2.755 1.00 1.00 H new ATOM 0 HH22 ARG A 122 8.107 0.421 2.420 1.00 1.00 H new ATOM 1443 N ARG A 123 2.341 7.308 5.531 1.00 1.00 N ATOM 1444 CA ARG A 123 1.587 8.548 5.645 1.00 1.00 C ATOM 1445 C ARG A 123 2.173 9.430 6.739 1.00 1.00 C ATOM 1446 O ARG A 123 3.200 9.102 7.332 1.00 1.00 O ATOM 1447 CB ARG A 123 0.123 8.234 5.972 1.00 1.00 C ATOM 1448 CG ARG A 123 0.033 7.301 7.208 1.00 1.00 C ATOM 1449 CD ARG A 123 -0.336 8.100 8.455 1.00 1.00 C ATOM 1450 NE ARG A 123 -0.454 7.210 9.601 1.00 1.00 N ATOM 1451 CZ ARG A 123 -1.576 6.544 9.837 1.00 1.00 C ATOM 1452 NH1 ARG A 123 -2.588 6.671 9.026 1.00 1.00 N ATOM 1453 NH2 ARG A 123 -1.660 5.759 10.874 1.00 1.00 N ATOM 0 H ARG A 123 3.042 7.169 6.259 1.00 1.00 H new ATOM 0 HA ARG A 123 1.645 9.079 4.695 1.00 1.00 H new ATOM 0 HB2 ARG A 123 -0.419 9.159 6.167 1.00 1.00 H new ATOM 0 HB3 ARG A 123 -0.354 7.759 5.115 1.00 1.00 H new ATOM 0 HG2 ARG A 123 -0.712 6.525 7.032 1.00 1.00 H new ATOM 0 HG3 ARG A 123 0.987 6.797 7.361 1.00 1.00 H new ATOM 0 HD2 ARG A 123 0.423 8.857 8.649 1.00 1.00 H new ATOM 0 HD3 ARG A 123 -1.277 8.626 8.294 1.00 1.00 H new ATOM 0 HE ARG A 123 0.339 7.097 10.232 1.00 1.00 H new ATOM 0 HH11 ARG A 123 -2.516 7.282 8.212 1.00 1.00 H new ATOM 0 HH12 ARG A 123 -3.452 6.160 9.205 1.00 1.00 H new ATOM 0 HH21 ARG A 123 -0.863 5.658 11.503 1.00 1.00 H new ATOM 0 HH22 ARG A 123 -2.522 5.246 11.057 1.00 1.00 H new ATOM 1467 N LEU A 124 1.513 10.551 7.001 1.00 1.00 N ATOM 1468 CA LEU A 124 1.975 11.477 8.029 1.00 1.00 C ATOM 1469 C LEU A 124 1.437 11.083 9.400 1.00 1.00 C ATOM 1470 O LEU A 124 0.232 10.909 9.581 1.00 1.00 O ATOM 1471 CB LEU A 124 1.515 12.892 7.690 1.00 1.00 C ATOM 1472 CG LEU A 124 1.948 13.874 8.813 1.00 1.00 C ATOM 1473 CD1 LEU A 124 2.481 15.173 8.201 1.00 1.00 C ATOM 1474 CD2 LEU A 124 0.750 14.205 9.719 1.00 1.00 C ATOM 0 H LEU A 124 0.661 10.840 6.520 1.00 1.00 H new ATOM 0 HA LEU A 124 3.064 11.439 8.060 1.00 1.00 H new ATOM 0 HB2 LEU A 124 1.943 13.204 6.737 1.00 1.00 H new ATOM 0 HB3 LEU A 124 0.431 12.913 7.575 1.00 1.00 H new ATOM 0 HG LEU A 124 2.732 13.398 9.402 1.00 1.00 H new ATOM 0 HD11 LEU A 124 2.782 15.854 8.997 1.00 1.00 H new ATOM 0 HD12 LEU A 124 3.341 14.951 7.569 1.00 1.00 H new ATOM 0 HD13 LEU A 124 1.700 15.639 7.600 1.00 1.00 H new ATOM 0 HD21 LEU A 124 1.066 14.894 10.502 1.00 1.00 H new ATOM 0 HD22 LEU A 124 -0.038 14.667 9.125 1.00 1.00 H new ATOM 0 HD23 LEU A 124 0.373 13.288 10.172 1.00 1.00 H new ATOM 1486 N VAL A 125 2.345 10.942 10.363 1.00 1.00 N ATOM 1487 CA VAL A 125 1.976 10.553 11.727 1.00 1.00 C ATOM 1488 C VAL A 125 2.259 11.689 12.703 1.00 1.00 C ATOM 1489 O VAL A 125 3.100 12.551 12.445 1.00 1.00 O ATOM 1490 CB VAL A 125 2.762 9.308 12.144 1.00 1.00 C ATOM 1491 CG1 VAL A 125 2.506 8.184 11.133 1.00 1.00 C ATOM 1492 CG2 VAL A 125 4.259 9.637 12.199 1.00 1.00 C ATOM 0 H VAL A 125 3.345 11.091 10.226 1.00 1.00 H new ATOM 0 HA VAL A 125 0.909 10.332 11.747 1.00 1.00 H new ATOM 0 HB VAL A 125 2.436 8.983 13.132 1.00 1.00 H new ATOM 0 HG11 VAL A 125 3.065 7.296 11.427 1.00 1.00 H new ATOM 0 HG12 VAL A 125 1.441 7.952 11.109 1.00 1.00 H new ATOM 0 HG13 VAL A 125 2.830 8.505 10.143 1.00 1.00 H new ATOM 0 HG21 VAL A 125 4.816 8.749 12.496 1.00 1.00 H new ATOM 0 HG22 VAL A 125 4.596 9.964 11.215 1.00 1.00 H new ATOM 0 HG23 VAL A 125 4.430 10.432 12.924 1.00 1.00 H new ATOM 1502 N ASP A 126 1.540 11.687 13.820 1.00 1.00 N ATOM 1503 CA ASP A 126 1.706 12.726 14.827 1.00 1.00 C ATOM 1504 C ASP A 126 3.131 12.713 15.360 1.00 1.00 C ATOM 1505 O ASP A 126 3.841 11.716 15.234 1.00 1.00 O ATOM 1506 CB ASP A 126 0.728 12.496 15.982 1.00 1.00 C ATOM 1507 CG ASP A 126 1.044 11.175 16.675 1.00 1.00 C ATOM 1508 OD1 ASP A 126 1.907 10.464 16.187 1.00 1.00 O ATOM 1509 OD2 ASP A 126 0.422 10.896 17.686 1.00 1.00 O ATOM 0 H ASP A 126 0.840 10.981 14.049 1.00 1.00 H new ATOM 0 HA ASP A 126 1.502 13.694 14.368 1.00 1.00 H new ATOM 0 HB2 ASP A 126 0.796 13.317 16.696 1.00 1.00 H new ATOM 0 HB3 ASP A 126 -0.295 12.484 15.607 1.00 1.00 H new ATOM 1514 N VAL A 127 3.552 13.835 15.944 1.00 1.00 N ATOM 1515 CA VAL A 127 4.903 13.962 16.484 1.00 1.00 C ATOM 1516 C VAL A 127 4.859 14.126 17.998 1.00 1.00 C ATOM 1517 O VAL A 127 5.891 14.323 18.638 1.00 1.00 O ATOM 1518 CB VAL A 127 5.596 15.171 15.845 1.00 1.00 C ATOM 1519 CG1 VAL A 127 5.375 15.145 14.331 1.00 1.00 C ATOM 1520 CG2 VAL A 127 5.019 16.472 16.416 1.00 1.00 C ATOM 0 H VAL A 127 2.975 14.669 16.055 1.00 1.00 H new ATOM 0 HA VAL A 127 5.464 13.057 16.252 1.00 1.00 H new ATOM 0 HB VAL A 127 6.663 15.124 16.065 1.00 1.00 H new ATOM 0 HG11 VAL A 127 5.868 16.005 13.877 1.00 1.00 H new ATOM 0 HG12 VAL A 127 5.793 14.227 13.918 1.00 1.00 H new ATOM 0 HG13 VAL A 127 4.307 15.185 14.119 1.00 1.00 H new ATOM 0 HG21 VAL A 127 5.518 17.324 15.955 1.00 1.00 H new ATOM 0 HG22 VAL A 127 3.951 16.520 16.205 1.00 1.00 H new ATOM 0 HG23 VAL A 127 5.177 16.498 17.494 1.00 1.00 H new ATOM 1530 N ALA A 128 3.657 14.060 18.562 1.00 1.00 N ATOM 1531 CA ALA A 128 3.494 14.214 20.002 1.00 1.00 C ATOM 1532 C ALA A 128 4.184 13.078 20.743 1.00 1.00 C ATOM 1533 O ALA A 128 3.533 12.242 21.370 1.00 1.00 O ATOM 1534 CB ALA A 128 2.008 14.230 20.362 1.00 1.00 C ATOM 0 H ALA A 128 2.790 13.902 18.049 1.00 1.00 H new ATOM 0 HA ALA A 128 3.950 15.158 20.300 1.00 1.00 H new ATOM 0 HB1 ALA A 128 1.896 14.345 21.440 1.00 1.00 H new ATOM 0 HB2 ALA A 128 1.520 15.062 19.855 1.00 1.00 H new ATOM 0 HB3 ALA A 128 1.547 13.293 20.048 1.00 1.00 H new ATOM 1540 N GLY A 129 5.509 13.057 20.670 1.00 1.00 N ATOM 1541 CA GLY A 129 6.286 12.022 21.343 1.00 1.00 C ATOM 1542 C GLY A 129 7.675 11.889 20.729 1.00 1.00 C ATOM 1543 O GLY A 129 8.647 11.601 21.428 1.00 1.00 O ATOM 0 H GLY A 129 6.066 13.740 20.155 1.00 1.00 H new ATOM 0 HA2 GLY A 129 6.375 12.262 22.403 1.00 1.00 H new ATOM 0 HA3 GLY A 129 5.762 11.068 21.275 1.00 1.00 H new ATOM 1547 N PHE A 130 7.765 12.096 19.417 1.00 1.00 N ATOM 1548 CA PHE A 130 9.045 11.995 18.712 1.00 1.00 C ATOM 1549 C PHE A 130 9.587 13.383 18.392 1.00 1.00 C ATOM 1550 O PHE A 130 10.642 13.526 17.774 1.00 1.00 O ATOM 1551 CB PHE A 130 8.848 11.225 17.415 1.00 1.00 C ATOM 1552 CG PHE A 130 8.084 9.950 17.691 1.00 1.00 C ATOM 1553 CD1 PHE A 130 8.659 8.943 18.476 1.00 1.00 C ATOM 1554 CD2 PHE A 130 6.798 9.778 17.165 1.00 1.00 C ATOM 1555 CE1 PHE A 130 7.949 7.765 18.732 1.00 1.00 C ATOM 1556 CE2 PHE A 130 6.089 8.602 17.421 1.00 1.00 C ATOM 1557 CZ PHE A 130 6.663 7.594 18.205 1.00 1.00 C ATOM 0 H PHE A 130 6.972 12.334 18.821 1.00 1.00 H new ATOM 0 HA PHE A 130 9.758 11.474 19.352 1.00 1.00 H new ATOM 0 HB2 PHE A 130 8.304 11.838 16.696 1.00 1.00 H new ATOM 0 HB3 PHE A 130 9.815 10.992 16.969 1.00 1.00 H new ATOM 0 HD1 PHE A 130 9.650 9.076 18.884 1.00 1.00 H new ATOM 0 HD2 PHE A 130 6.354 10.555 16.561 1.00 1.00 H new ATOM 0 HE1 PHE A 130 8.393 6.987 19.336 1.00 1.00 H new ATOM 0 HE2 PHE A 130 5.097 8.470 17.014 1.00 1.00 H new ATOM 0 HZ PHE A 130 6.114 6.685 18.403 1.00 1.00 H new ATOM 1567 N SER A 131 8.850 14.402 18.813 1.00 1.00 N ATOM 1568 CA SER A 131 9.249 15.789 18.576 1.00 1.00 C ATOM 1569 C SER A 131 10.106 16.311 19.721 1.00 1.00 C ATOM 1570 O SER A 131 9.852 16.009 20.887 1.00 1.00 O ATOM 1571 CB SER A 131 8.016 16.682 18.395 1.00 1.00 C ATOM 1572 OG SER A 131 8.312 17.998 18.853 1.00 1.00 O ATOM 0 H SER A 131 7.972 14.298 19.321 1.00 1.00 H new ATOM 0 HA SER A 131 9.840 15.815 17.661 1.00 1.00 H new ATOM 0 HB2 SER A 131 7.723 16.708 17.345 1.00 1.00 H new ATOM 0 HB3 SER A 131 7.173 16.273 18.951 1.00 1.00 H new ATOM 0 HG SER A 131 7.525 18.570 18.736 1.00 1.00 H new ATOM 1578 N ILE A 132 11.129 17.096 19.382 1.00 1.00 N ATOM 1579 CA ILE A 132 12.021 17.652 20.393 1.00 1.00 C ATOM 1580 C ILE A 132 11.527 19.014 20.821 1.00 1.00 C ATOM 1581 O ILE A 132 11.015 19.169 21.925 1.00 1.00 O ATOM 1582 CB ILE A 132 13.431 17.776 19.827 1.00 1.00 C ATOM 1583 CG1 ILE A 132 13.921 16.386 19.408 1.00 1.00 C ATOM 1584 CG2 ILE A 132 14.363 18.344 20.905 1.00 1.00 C ATOM 1585 CD1 ILE A 132 15.106 16.520 18.454 1.00 1.00 C ATOM 0 H ILE A 132 11.357 17.358 18.423 1.00 1.00 H new ATOM 0 HA ILE A 132 12.036 16.987 21.256 1.00 1.00 H new ATOM 0 HB ILE A 132 13.428 18.442 18.964 1.00 1.00 H new ATOM 0 HG12 ILE A 132 14.214 15.813 20.288 1.00 1.00 H new ATOM 0 HG13 ILE A 132 13.114 15.836 18.924 1.00 1.00 H new ATOM 0 HG21 ILE A 132 15.372 18.434 20.503 1.00 1.00 H new ATOM 0 HG22 ILE A 132 14.006 19.327 21.213 1.00 1.00 H new ATOM 0 HG23 ILE A 132 14.374 17.676 21.766 1.00 1.00 H new ATOM 0 HD11 ILE A 132 15.450 15.528 18.160 1.00 1.00 H new ATOM 0 HD12 ILE A 132 14.799 17.075 17.568 1.00 1.00 H new ATOM 0 HD13 ILE A 132 15.916 17.052 18.953 1.00 1.00 H new ATOM 1597 N PHE A 133 11.689 19.992 19.933 1.00 1.00 N ATOM 1598 CA PHE A 133 11.261 21.361 20.203 1.00 1.00 C ATOM 1599 C PHE A 133 12.056 21.974 21.353 1.00 1.00 C ATOM 1600 O PHE A 133 12.321 23.167 21.323 1.00 1.00 O ATOM 1601 CB PHE A 133 9.749 21.412 20.518 1.00 1.00 C ATOM 1602 CG PHE A 133 9.367 22.775 21.073 1.00 1.00 C ATOM 1603 CD1 PHE A 133 9.671 23.937 20.355 1.00 1.00 C ATOM 1604 CD2 PHE A 133 8.715 22.874 22.315 1.00 1.00 C ATOM 1605 CE1 PHE A 133 9.321 25.191 20.869 1.00 1.00 C ATOM 1606 CE2 PHE A 133 8.369 24.127 22.828 1.00 1.00 C ATOM 1607 CZ PHE A 133 8.672 25.286 22.105 1.00 1.00 C ATOM 0 H PHE A 133 12.116 19.860 19.016 1.00 1.00 H new ATOM 0 HA PHE A 133 11.452 21.947 19.304 1.00 1.00 H new ATOM 0 HB2 PHE A 133 9.176 21.207 19.614 1.00 1.00 H new ATOM 0 HB3 PHE A 133 9.495 20.635 21.239 1.00 1.00 H new ATOM 0 HD1 PHE A 133 10.176 23.866 19.403 1.00 1.00 H new ATOM 0 HD2 PHE A 133 8.481 21.980 22.874 1.00 1.00 H new ATOM 0 HE1 PHE A 133 9.552 26.086 20.311 1.00 1.00 H new ATOM 0 HE2 PHE A 133 7.868 24.201 23.782 1.00 1.00 H new ATOM 0 HZ PHE A 133 8.405 26.255 22.501 1.00 1.00 H new ATOM 1617 N ILE A 134 12.387 21.146 22.354 1.00 1.00 N ATOM 1618 CA ILE A 134 13.118 21.560 23.554 1.00 1.00 C ATOM 1619 C ILE A 134 12.806 20.608 24.718 1.00 1.00 C ATOM 1620 O ILE A 134 13.718 20.055 25.330 1.00 1.00 O ATOM 1621 CB ILE A 134 12.747 23.017 23.948 1.00 1.00 C ATOM 1622 CG1 ILE A 134 13.746 23.998 23.295 1.00 1.00 C ATOM 1623 CG2 ILE A 134 12.759 23.212 25.488 1.00 1.00 C ATOM 1624 CD1 ILE A 134 14.948 24.241 24.207 1.00 1.00 C ATOM 0 H ILE A 134 12.149 20.154 22.350 1.00 1.00 H new ATOM 0 HA ILE A 134 14.185 21.520 23.336 1.00 1.00 H new ATOM 0 HB ILE A 134 11.737 23.217 23.591 1.00 1.00 H new ATOM 0 HG12 ILE A 134 14.085 23.596 22.340 1.00 1.00 H new ATOM 0 HG13 ILE A 134 13.247 24.944 23.084 1.00 1.00 H new ATOM 0 HG21 ILE A 134 12.495 24.242 25.726 1.00 1.00 H new ATOM 0 HG22 ILE A 134 12.036 22.537 25.946 1.00 1.00 H new ATOM 0 HG23 ILE A 134 13.755 22.994 25.875 1.00 1.00 H new ATOM 0 HD11 ILE A 134 15.636 24.935 23.725 1.00 1.00 H new ATOM 0 HD12 ILE A 134 14.608 24.665 25.152 1.00 1.00 H new ATOM 0 HD13 ILE A 134 15.458 23.296 24.396 1.00 1.00 H new ATOM 1636 N PRO A 135 11.546 20.430 25.053 1.00 1.00 N ATOM 1637 CA PRO A 135 11.142 19.559 26.195 1.00 1.00 C ATOM 1638 C PRO A 135 11.628 18.120 26.017 1.00 1.00 C ATOM 1639 O PRO A 135 12.005 17.520 27.009 1.00 1.00 O ATOM 1640 CB PRO A 135 9.600 19.652 26.197 1.00 1.00 C ATOM 1641 CG PRO A 135 9.235 20.101 24.822 1.00 1.00 C ATOM 1642 CD PRO A 135 10.366 21.017 24.386 1.00 1.00 C ATOM 1643 OXT PRO A 135 11.616 17.649 24.894 1.00 1.00 O ATOM 0 HA PRO A 135 11.582 19.878 27.140 1.00 1.00 H new ATOM 0 HB2 PRO A 135 9.147 18.688 26.430 1.00 1.00 H new ATOM 0 HB3 PRO A 135 9.249 20.359 26.949 1.00 1.00 H new ATOM 0 HG2 PRO A 135 9.133 19.253 24.145 1.00 1.00 H new ATOM 0 HG3 PRO A 135 8.280 20.627 24.820 1.00 1.00 H new ATOM 0 HD2 PRO A 135 10.480 21.030 23.302 1.00 1.00 H new ATOM 0 HD3 PRO A 135 10.195 22.047 24.701 1.00 1.00 H new