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 51 THR OG1 : rot 165:sc= -3.01 USER MOD Set 1.2: A 89 MET CE :methyl 150:sc= -3.03 (180deg=-2.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -2.99 K(o=-3,f=-4.9!) USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= -0.135 (180deg=-0.972) USER MOD Single : A 64 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.57) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 68 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-5.2!) USER MOD Single : A 71 GLN : amide:sc=-0.00458 K(o=-0.0046,f=-1.3!) USER MOD Single : A 73 CYS SG : rot 37:sc= 0.178 USER MOD Single : A 76 GLN :FLIP amide:sc= -1.75 F(o=-3.4!,f=-1.8) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -3.45 K(o=-3.5,f=-5.7!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -3.81! C(o=-3.8!,f=-6.1!) USER MOD Single : A 111 LYS NZ :NH3+ -105:sc= -1.95 (180deg=-3.95!) USER MOD Single : A 112 SER OG : rot 2:sc= 0.658 USER MOD Single : A 116 SER OG : rot 90:sc= 1.28 USER MOD Single : A 118 CYS SG : rot 55:sc= 1.28 USER MOD Single : A 120 GLN : amide:sc= 0.00849 X(o=0.0085,f=0) USER MOD Single : A 131 SER OG : rot -140:sc= -6.13! USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 39 5.379 6.978 -5.740 1.00 1.00 N ATOM 109 CA GLU A 39 5.792 8.310 -5.294 1.00 1.00 C ATOM 110 C GLU A 39 4.842 8.835 -4.227 1.00 1.00 C ATOM 111 O GLU A 39 3.827 9.454 -4.540 1.00 1.00 O ATOM 112 CB GLU A 39 5.813 9.273 -6.480 1.00 1.00 C ATOM 113 CG GLU A 39 6.993 8.937 -7.393 1.00 1.00 C ATOM 114 CD GLU A 39 6.953 9.814 -8.639 1.00 1.00 C ATOM 115 OE1 GLU A 39 6.048 10.627 -8.738 1.00 1.00 O ATOM 116 OE2 GLU A 39 7.826 9.660 -9.476 1.00 1.00 O ATOM 0 HA GLU A 39 6.793 8.237 -4.868 1.00 1.00 H new ATOM 0 HB2 GLU A 39 4.878 9.202 -7.036 1.00 1.00 H new ATOM 0 HB3 GLU A 39 5.895 10.301 -6.126 1.00 1.00 H new ATOM 0 HG2 GLU A 39 7.931 9.091 -6.860 1.00 1.00 H new ATOM 0 HG3 GLU A 39 6.956 7.885 -7.677 1.00 1.00 H new ATOM 123 N TRP A 40 5.179 8.582 -2.964 1.00 1.00 N ATOM 124 CA TRP A 40 4.353 9.029 -1.837 1.00 1.00 C ATOM 125 C TRP A 40 5.063 10.141 -1.073 1.00 1.00 C ATOM 126 O TRP A 40 4.436 11.112 -0.651 1.00 1.00 O ATOM 127 CB TRP A 40 4.054 7.841 -0.906 1.00 1.00 C ATOM 128 CG TRP A 40 5.225 6.913 -0.883 1.00 1.00 C ATOM 129 CD1 TRP A 40 5.669 6.188 -1.937 1.00 1.00 C ATOM 130 CD2 TRP A 40 6.105 6.592 0.227 1.00 1.00 C ATOM 131 NE1 TRP A 40 6.770 5.454 -1.542 1.00 1.00 N ATOM 132 CE2 TRP A 40 7.079 5.669 -0.217 1.00 1.00 C ATOM 133 CE3 TRP A 40 6.158 7.016 1.561 1.00 1.00 C ATOM 134 CZ2 TRP A 40 8.065 5.178 0.639 1.00 1.00 C ATOM 135 CZ3 TRP A 40 7.147 6.530 2.421 1.00 1.00 C ATOM 136 CH2 TRP A 40 8.103 5.613 1.963 1.00 1.00 C ATOM 0 H TRP A 40 6.018 8.070 -2.692 1.00 1.00 H new ATOM 0 HA TRP A 40 3.410 9.421 -2.219 1.00 1.00 H new ATOM 0 HB2 TRP A 40 3.842 8.200 0.101 1.00 1.00 H new ATOM 0 HB3 TRP A 40 3.165 7.312 -1.249 1.00 1.00 H new ATOM 0 HD1 TRP A 40 5.233 6.184 -2.925 1.00 1.00 H new ATOM 0 HE1 TRP A 40 7.291 4.829 -2.157 1.00 1.00 H new ATOM 0 HE3 TRP A 40 5.429 7.724 1.928 1.00 1.00 H new ATOM 0 HZ2 TRP A 40 8.793 4.466 0.279 1.00 1.00 H new ATOM 0 HZ3 TRP A 40 7.175 6.864 3.448 1.00 1.00 H new ATOM 0 HH2 TRP A 40 8.866 5.245 2.633 1.00 1.00 H new ATOM 147 N LEU A 41 6.371 9.996 -0.903 1.00 1.00 N ATOM 148 CA LEU A 41 7.149 11.000 -0.194 1.00 1.00 C ATOM 149 C LEU A 41 7.451 12.177 -1.105 1.00 1.00 C ATOM 150 O LEU A 41 8.148 13.108 -0.709 1.00 1.00 O ATOM 151 CB LEU A 41 8.468 10.383 0.297 1.00 1.00 C ATOM 152 CG LEU A 41 8.237 9.644 1.630 1.00 1.00 C ATOM 153 CD1 LEU A 41 9.271 8.533 1.792 1.00 1.00 C ATOM 154 CD2 LEU A 41 8.342 10.617 2.807 1.00 1.00 C ATOM 0 H LEU A 41 6.910 9.200 -1.243 1.00 1.00 H new ATOM 0 HA LEU A 41 6.569 11.352 0.659 1.00 1.00 H new ATOM 0 HB2 LEU A 41 8.856 9.691 -0.450 1.00 1.00 H new ATOM 0 HB3 LEU A 41 9.218 11.163 0.429 1.00 1.00 H new ATOM 0 HG LEU A 41 7.236 9.212 1.618 1.00 1.00 H new ATOM 0 HD11 LEU A 41 9.103 8.014 2.736 1.00 1.00 H new ATOM 0 HD12 LEU A 41 9.178 7.826 0.968 1.00 1.00 H new ATOM 0 HD13 LEU A 41 10.272 8.964 1.788 1.00 1.00 H new ATOM 0 HD21 LEU A 41 8.176 10.079 3.740 1.00 1.00 H new ATOM 0 HD22 LEU A 41 9.335 11.067 2.819 1.00 1.00 H new ATOM 0 HD23 LEU A 41 7.590 11.399 2.701 1.00 1.00 H new ATOM 166 N SER A 42 6.946 12.118 -2.328 1.00 1.00 N ATOM 167 CA SER A 42 7.202 13.179 -3.287 1.00 1.00 C ATOM 168 C SER A 42 6.795 14.536 -2.732 1.00 1.00 C ATOM 169 O SER A 42 7.565 15.495 -2.789 1.00 1.00 O ATOM 170 CB SER A 42 6.422 12.906 -4.566 1.00 1.00 C ATOM 171 OG SER A 42 6.370 14.090 -5.353 1.00 1.00 O ATOM 0 H SER A 42 6.364 11.356 -2.676 1.00 1.00 H new ATOM 0 HA SER A 42 8.272 13.199 -3.494 1.00 1.00 H new ATOM 0 HB2 SER A 42 6.897 12.103 -5.130 1.00 1.00 H new ATOM 0 HB3 SER A 42 5.413 12.573 -4.325 1.00 1.00 H new ATOM 0 HG SER A 42 5.869 13.914 -6.177 1.00 1.00 H new ATOM 177 N SER A 43 5.590 14.609 -2.187 1.00 1.00 N ATOM 178 CA SER A 43 5.099 15.855 -1.614 1.00 1.00 C ATOM 179 C SER A 43 5.813 16.171 -0.306 1.00 1.00 C ATOM 180 O SER A 43 6.093 17.329 -0.010 1.00 1.00 O ATOM 181 CB SER A 43 3.597 15.757 -1.366 1.00 1.00 C ATOM 182 OG SER A 43 3.335 14.671 -0.487 1.00 1.00 O ATOM 0 H SER A 43 4.938 13.827 -2.129 1.00 1.00 H new ATOM 0 HA SER A 43 5.301 16.658 -2.322 1.00 1.00 H new ATOM 0 HB2 SER A 43 3.227 16.687 -0.934 1.00 1.00 H new ATOM 0 HB3 SER A 43 3.070 15.612 -2.309 1.00 1.00 H new ATOM 0 HG SER A 43 2.371 14.607 -0.325 1.00 1.00 H new ATOM 188 N LEU A 44 6.096 15.136 0.474 1.00 1.00 N ATOM 189 CA LEU A 44 6.768 15.320 1.754 1.00 1.00 C ATOM 190 C LEU A 44 8.236 15.643 1.555 1.00 1.00 C ATOM 191 O LEU A 44 8.892 15.069 0.689 1.00 1.00 O ATOM 192 CB LEU A 44 6.656 14.039 2.574 1.00 1.00 C ATOM 193 CG LEU A 44 5.226 13.882 3.116 1.00 1.00 C ATOM 194 CD1 LEU A 44 4.982 12.421 3.507 1.00 1.00 C ATOM 195 CD2 LEU A 44 5.038 14.777 4.352 1.00 1.00 C ATOM 0 H LEU A 44 5.873 14.167 0.246 1.00 1.00 H new ATOM 0 HA LEU A 44 6.290 16.150 2.274 1.00 1.00 H new ATOM 0 HB2 LEU A 44 6.916 13.179 1.957 1.00 1.00 H new ATOM 0 HB3 LEU A 44 7.366 14.064 3.401 1.00 1.00 H new ATOM 0 HG LEU A 44 4.516 14.177 2.343 1.00 1.00 H new ATOM 0 HD11 LEU A 44 3.968 12.312 3.891 1.00 1.00 H new ATOM 0 HD12 LEU A 44 5.109 11.784 2.632 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.695 12.126 4.277 1.00 1.00 H new ATOM 0 HD21 LEU A 44 4.023 14.663 4.733 1.00 1.00 H new ATOM 0 HD22 LEU A 44 5.750 14.486 5.124 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.207 15.818 4.077 1.00 1.00 H new ATOM 207 N ARG A 45 8.751 16.555 2.377 1.00 1.00 N ATOM 208 CA ARG A 45 10.160 16.937 2.305 1.00 1.00 C ATOM 209 C ARG A 45 10.817 16.756 3.663 1.00 1.00 C ATOM 210 O ARG A 45 10.641 17.576 4.563 1.00 1.00 O ATOM 211 CB ARG A 45 10.280 18.393 1.862 1.00 1.00 C ATOM 212 CG ARG A 45 9.553 18.594 0.511 1.00 1.00 C ATOM 213 CD ARG A 45 8.129 19.098 0.762 1.00 1.00 C ATOM 214 NE ARG A 45 8.166 20.401 1.413 1.00 1.00 N ATOM 215 CZ ARG A 45 7.056 20.968 1.870 1.00 1.00 C ATOM 216 NH1 ARG A 45 5.911 20.356 1.744 1.00 1.00 N ATOM 217 NH2 ARG A 45 7.112 22.135 2.451 1.00 1.00 N ATOM 0 H ARG A 45 8.217 17.041 3.097 1.00 1.00 H new ATOM 0 HA ARG A 45 10.664 16.299 1.579 1.00 1.00 H new ATOM 0 HB2 ARG A 45 9.849 19.049 2.618 1.00 1.00 H new ATOM 0 HB3 ARG A 45 11.330 18.667 1.764 1.00 1.00 H new ATOM 0 HG2 ARG A 45 10.099 19.309 -0.104 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.525 17.655 -0.041 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.589 19.170 -0.182 1.00 1.00 H new ATOM 0 HD3 ARG A 45 7.588 18.387 1.386 1.00 1.00 H new ATOM 0 HE ARG A 45 9.058 20.885 1.519 1.00 1.00 H new ATOM 0 HH11 ARG A 45 5.868 19.442 1.294 1.00 1.00 H new ATOM 0 HH12 ARG A 45 5.058 20.792 2.095 1.00 1.00 H new ATOM 0 HH21 ARG A 45 8.008 22.611 2.554 1.00 1.00 H new ATOM 0 HH22 ARG A 45 6.260 22.571 2.802 1.00 1.00 H new ATOM 231 N ALA A 46 11.579 15.681 3.802 1.00 1.00 N ATOM 232 CA ALA A 46 12.264 15.393 5.062 1.00 1.00 C ATOM 233 C ALA A 46 13.671 15.985 5.063 1.00 1.00 C ATOM 234 O ALA A 46 14.168 16.440 4.042 1.00 1.00 O ATOM 235 CB ALA A 46 12.350 13.884 5.272 1.00 1.00 C ATOM 0 H ALA A 46 11.741 14.995 3.065 1.00 1.00 H new ATOM 0 HA ALA A 46 11.693 15.846 5.872 1.00 1.00 H new ATOM 0 HB1 ALA A 46 12.861 13.676 6.212 1.00 1.00 H new ATOM 0 HB2 ALA A 46 11.345 13.463 5.305 1.00 1.00 H new ATOM 0 HB3 ALA A 46 12.905 13.433 4.450 1.00 1.00 H new ATOM 241 N HIS A 47 14.307 15.988 6.220 1.00 1.00 N ATOM 242 CA HIS A 47 15.660 16.522 6.329 1.00 1.00 C ATOM 243 C HIS A 47 16.381 15.919 7.527 1.00 1.00 C ATOM 244 O HIS A 47 15.905 16.009 8.653 1.00 1.00 O ATOM 245 CB HIS A 47 15.614 18.043 6.474 1.00 1.00 C ATOM 246 CG HIS A 47 17.015 18.574 6.624 1.00 1.00 C ATOM 247 ND1 HIS A 47 17.510 19.027 7.837 1.00 1.00 N ATOM 248 CD2 HIS A 47 18.038 18.731 5.722 1.00 1.00 C ATOM 249 CE1 HIS A 47 18.778 19.430 7.633 1.00 1.00 C ATOM 250 NE2 HIS A 47 19.148 19.271 6.362 1.00 1.00 N ATOM 0 H HIS A 47 13.917 15.631 7.092 1.00 1.00 H new ATOM 0 HA HIS A 47 16.204 16.260 5.422 1.00 1.00 H new ATOM 0 HB2 HIS A 47 15.136 18.488 5.601 1.00 1.00 H new ATOM 0 HB3 HIS A 47 15.014 18.319 7.341 1.00 1.00 H new ATOM 0 HD2 HIS A 47 17.988 18.474 4.674 1.00 1.00 H new ATOM 0 HE1 HIS A 47 19.417 19.833 8.405 1.00 1.00 H new ATOM 0 HE2 HIS A 47 20.052 19.497 5.948 1.00 1.00 H new ATOM 259 N VAL A 48 17.536 15.316 7.279 1.00 1.00 N ATOM 260 CA VAL A 48 18.332 14.714 8.352 1.00 1.00 C ATOM 261 C VAL A 48 19.510 15.615 8.703 1.00 1.00 C ATOM 262 O VAL A 48 20.096 16.260 7.835 1.00 1.00 O ATOM 263 CB VAL A 48 18.851 13.347 7.913 1.00 1.00 C ATOM 264 CG1 VAL A 48 17.683 12.353 7.851 1.00 1.00 C ATOM 265 CG2 VAL A 48 19.506 13.462 6.529 1.00 1.00 C ATOM 0 H VAL A 48 17.946 15.228 6.349 1.00 1.00 H new ATOM 0 HA VAL A 48 17.698 14.595 9.231 1.00 1.00 H new ATOM 0 HB VAL A 48 19.591 12.993 8.631 1.00 1.00 H new ATOM 0 HG11 VAL A 48 18.052 11.377 7.538 1.00 1.00 H new ATOM 0 HG12 VAL A 48 17.225 12.268 8.836 1.00 1.00 H new ATOM 0 HG13 VAL A 48 16.941 12.707 7.135 1.00 1.00 H new ATOM 0 HG21 VAL A 48 19.875 12.484 6.219 1.00 1.00 H new ATOM 0 HG22 VAL A 48 18.771 13.818 5.807 1.00 1.00 H new ATOM 0 HG23 VAL A 48 20.337 14.165 6.577 1.00 1.00 H new ATOM 275 N VAL A 49 19.849 15.663 9.986 1.00 1.00 N ATOM 276 CA VAL A 49 20.957 16.493 10.451 1.00 1.00 C ATOM 277 C VAL A 49 22.227 15.658 10.590 1.00 1.00 C ATOM 278 O VAL A 49 22.173 14.433 10.646 1.00 1.00 O ATOM 279 CB VAL A 49 20.605 17.115 11.802 1.00 1.00 C ATOM 280 CG1 VAL A 49 19.300 17.895 11.686 1.00 1.00 C ATOM 281 CG2 VAL A 49 20.451 16.017 12.848 1.00 1.00 C ATOM 0 H VAL A 49 19.375 15.139 10.722 1.00 1.00 H new ATOM 0 HA VAL A 49 21.132 17.282 9.720 1.00 1.00 H new ATOM 0 HB VAL A 49 21.404 17.792 12.103 1.00 1.00 H new ATOM 0 HG11 VAL A 49 19.053 18.337 12.651 1.00 1.00 H new ATOM 0 HG12 VAL A 49 19.413 18.685 10.944 1.00 1.00 H new ATOM 0 HG13 VAL A 49 18.500 17.222 11.380 1.00 1.00 H new ATOM 0 HG21 VAL A 49 20.200 16.464 13.810 1.00 1.00 H new ATOM 0 HG22 VAL A 49 19.656 15.336 12.546 1.00 1.00 H new ATOM 0 HG23 VAL A 49 21.387 15.466 12.937 1.00 1.00 H new ATOM 291 N ARG A 50 23.371 16.326 10.625 1.00 1.00 N ATOM 292 CA ARG A 50 24.653 15.631 10.751 1.00 1.00 C ATOM 293 C ARG A 50 24.927 15.272 12.194 1.00 1.00 C ATOM 294 O ARG A 50 25.050 14.096 12.528 1.00 1.00 O ATOM 295 CB ARG A 50 25.789 16.521 10.213 1.00 1.00 C ATOM 296 CG ARG A 50 25.742 16.568 8.673 1.00 1.00 C ATOM 297 CD ARG A 50 24.686 17.590 8.186 1.00 1.00 C ATOM 298 NE ARG A 50 23.853 16.991 7.160 1.00 1.00 N ATOM 299 CZ ARG A 50 22.756 17.603 6.735 1.00 1.00 C ATOM 300 NH1 ARG A 50 22.416 18.755 7.246 1.00 1.00 N ATOM 301 NH2 ARG A 50 22.016 17.051 5.816 1.00 1.00 N ATOM 0 H ARG A 50 23.443 17.342 10.569 1.00 1.00 H new ATOM 0 HA ARG A 50 24.605 14.712 10.166 1.00 1.00 H new ATOM 0 HB2 ARG A 50 25.695 17.528 10.618 1.00 1.00 H new ATOM 0 HB3 ARG A 50 26.753 16.133 10.543 1.00 1.00 H new ATOM 0 HG2 ARG A 50 26.723 16.838 8.283 1.00 1.00 H new ATOM 0 HG3 ARG A 50 25.505 15.579 8.282 1.00 1.00 H new ATOM 0 HD2 ARG A 50 24.069 17.915 9.024 1.00 1.00 H new ATOM 0 HD3 ARG A 50 25.181 18.477 7.792 1.00 1.00 H new ATOM 0 HE ARG A 50 24.114 16.089 6.761 1.00 1.00 H new ATOM 0 HH11 ARG A 50 22.994 19.182 7.970 1.00 1.00 H new ATOM 0 HH12 ARG A 50 21.573 19.228 6.921 1.00 1.00 H new ATOM 0 HH21 ARG A 50 22.280 16.148 5.423 1.00 1.00 H new ATOM 0 HH22 ARG A 50 21.172 17.522 5.489 1.00 1.00 H new ATOM 315 N THR A 51 25.010 16.284 13.046 1.00 1.00 N ATOM 316 CA THR A 51 25.265 16.053 14.462 1.00 1.00 C ATOM 317 C THR A 51 24.363 14.945 14.986 1.00 1.00 C ATOM 318 O THR A 51 24.565 14.431 16.083 1.00 1.00 O ATOM 319 CB THR A 51 25.012 17.339 15.252 1.00 1.00 C ATOM 320 OG1 THR A 51 23.698 17.805 14.982 1.00 1.00 O ATOM 321 CG2 THR A 51 26.034 18.405 14.845 1.00 1.00 C ATOM 0 H THR A 51 24.906 17.265 12.786 1.00 1.00 H new ATOM 0 HA THR A 51 26.305 15.751 14.586 1.00 1.00 H new ATOM 0 HB THR A 51 25.114 17.137 16.318 1.00 1.00 H new ATOM 0 HG1 THR A 51 23.444 18.474 15.652 1.00 1.00 H new ATOM 0 HG21 THR A 51 25.851 19.319 15.410 1.00 1.00 H new ATOM 0 HG22 THR A 51 27.040 18.044 15.056 1.00 1.00 H new ATOM 0 HG23 THR A 51 25.939 18.612 13.779 1.00 1.00 H new ATOM 329 N GLY A 52 23.372 14.570 14.193 1.00 1.00 N ATOM 330 CA GLY A 52 22.457 13.516 14.581 1.00 1.00 C ATOM 331 C GLY A 52 21.936 12.833 13.357 1.00 1.00 C ATOM 332 O GLY A 52 21.292 13.479 12.570 1.00 1.00 O ATOM 0 H GLY A 52 23.183 14.981 13.279 1.00 1.00 H new ATOM 0 HA2 GLY A 52 22.965 12.797 15.223 1.00 1.00 H new ATOM 0 HA3 GLY A 52 21.631 13.931 15.158 1.00 1.00 H new ATOM 336 N ILE A 53 22.208 11.525 13.226 1.00 1.00 N ATOM 337 CA ILE A 53 21.749 10.702 12.095 1.00 1.00 C ATOM 338 C ILE A 53 22.879 10.477 11.111 1.00 1.00 C ATOM 339 O ILE A 53 22.817 9.579 10.273 1.00 1.00 O ATOM 340 CB ILE A 53 20.556 11.355 11.389 1.00 1.00 C ATOM 341 CG1 ILE A 53 19.361 11.462 12.369 1.00 1.00 C ATOM 342 CG2 ILE A 53 20.165 10.562 10.157 1.00 1.00 C ATOM 343 CD1 ILE A 53 18.556 10.162 12.354 1.00 1.00 C ATOM 0 H ILE A 53 22.758 11.004 13.909 1.00 1.00 H new ATOM 0 HA ILE A 53 21.427 9.738 12.489 1.00 1.00 H new ATOM 0 HB ILE A 53 20.841 12.357 11.069 1.00 1.00 H new ATOM 0 HG12 ILE A 53 19.723 11.664 13.377 1.00 1.00 H new ATOM 0 HG13 ILE A 53 18.722 12.299 12.087 1.00 1.00 H new ATOM 0 HG21 ILE A 53 19.316 11.042 9.670 1.00 1.00 H new ATOM 0 HG22 ILE A 53 21.007 10.525 9.466 1.00 1.00 H new ATOM 0 HG23 ILE A 53 19.890 9.548 10.449 1.00 1.00 H new ATOM 0 HD11 ILE A 53 17.718 10.245 13.046 1.00 1.00 H new ATOM 0 HD12 ILE A 53 18.179 9.979 11.348 1.00 1.00 H new ATOM 0 HD13 ILE A 53 19.196 9.334 12.658 1.00 1.00 H new ATOM 355 N GLY A 54 23.914 11.292 11.226 1.00 1.00 N ATOM 356 CA GLY A 54 25.063 11.172 10.339 1.00 1.00 C ATOM 357 C GLY A 54 25.922 9.977 10.731 1.00 1.00 C ATOM 358 O GLY A 54 27.137 9.982 10.536 1.00 1.00 O ATOM 0 H GLY A 54 23.984 12.038 11.918 1.00 1.00 H new ATOM 0 HA2 GLY A 54 24.724 11.060 9.309 1.00 1.00 H new ATOM 0 HA3 GLY A 54 25.658 12.084 10.381 1.00 1.00 H new ATOM 362 N ARG A 55 25.287 8.963 11.305 1.00 1.00 N ATOM 363 CA ARG A 55 26.009 7.773 11.743 1.00 1.00 C ATOM 364 C ARG A 55 26.571 7.014 10.542 1.00 1.00 C ATOM 365 O ARG A 55 27.783 6.844 10.416 1.00 1.00 O ATOM 366 CB ARG A 55 25.064 6.849 12.536 1.00 1.00 C ATOM 367 CG ARG A 55 24.023 7.692 13.277 1.00 1.00 C ATOM 368 CD ARG A 55 23.214 6.797 14.210 1.00 1.00 C ATOM 369 NE ARG A 55 22.138 7.562 14.828 1.00 1.00 N ATOM 370 CZ ARG A 55 21.503 7.109 15.902 1.00 1.00 C ATOM 371 NH1 ARG A 55 21.840 5.961 16.423 1.00 1.00 N ATOM 372 NH2 ARG A 55 20.540 7.809 16.434 1.00 1.00 N ATOM 0 H ARG A 55 24.282 8.939 11.478 1.00 1.00 H new ATOM 0 HA ARG A 55 26.835 8.086 12.381 1.00 1.00 H new ATOM 0 HB2 ARG A 55 24.568 6.153 11.860 1.00 1.00 H new ATOM 0 HB3 ARG A 55 25.635 6.251 13.246 1.00 1.00 H new ATOM 0 HG2 ARG A 55 24.516 8.479 13.848 1.00 1.00 H new ATOM 0 HG3 ARG A 55 23.362 8.183 12.563 1.00 1.00 H new ATOM 0 HD2 ARG A 55 22.800 5.957 13.652 1.00 1.00 H new ATOM 0 HD3 ARG A 55 23.863 6.380 14.980 1.00 1.00 H new ATOM 0 HE ARG A 55 21.868 8.461 14.428 1.00 1.00 H new ATOM 0 HH11 ARG A 55 22.591 5.412 16.005 1.00 1.00 H new ATOM 0 HH12 ARG A 55 21.352 5.613 17.248 1.00 1.00 H new ATOM 0 HH21 ARG A 55 20.275 8.705 16.025 1.00 1.00 H new ATOM 0 HH22 ARG A 55 20.052 7.461 17.259 1.00 1.00 H new ATOM 386 N ALA A 56 25.676 6.564 9.664 1.00 1.00 N ATOM 387 CA ALA A 56 26.086 5.822 8.477 1.00 1.00 C ATOM 388 C ALA A 56 24.864 5.271 7.751 1.00 1.00 C ATOM 389 O ALA A 56 24.607 5.616 6.598 1.00 1.00 O ATOM 390 CB ALA A 56 27.017 4.667 8.876 1.00 1.00 C ATOM 0 H ALA A 56 24.669 6.700 9.753 1.00 1.00 H new ATOM 0 HA ALA A 56 26.619 6.498 7.809 1.00 1.00 H new ATOM 0 HB1 ALA A 56 27.319 4.118 7.984 1.00 1.00 H new ATOM 0 HB2 ALA A 56 27.901 5.067 9.372 1.00 1.00 H new ATOM 0 HB3 ALA A 56 26.493 3.995 9.556 1.00 1.00 H new ATOM 396 N ARG A 57 24.113 4.414 8.433 1.00 1.00 N ATOM 397 CA ARG A 57 22.918 3.826 7.842 1.00 1.00 C ATOM 398 C ARG A 57 21.711 4.727 8.081 1.00 1.00 C ATOM 399 O ARG A 57 20.792 4.781 7.263 1.00 1.00 O ATOM 400 CB ARG A 57 22.659 2.438 8.441 1.00 1.00 C ATOM 401 CG ARG A 57 21.335 1.871 7.903 1.00 1.00 C ATOM 402 CD ARG A 57 21.374 1.829 6.369 1.00 1.00 C ATOM 403 NE ARG A 57 20.423 0.853 5.869 1.00 1.00 N ATOM 404 CZ ARG A 57 20.664 -0.448 5.967 1.00 1.00 C ATOM 405 NH1 ARG A 57 21.770 -0.869 6.521 1.00 1.00 N ATOM 406 NH2 ARG A 57 19.797 -1.306 5.509 1.00 1.00 N ATOM 0 H ARG A 57 24.308 4.113 9.388 1.00 1.00 H new ATOM 0 HA ARG A 57 23.076 3.725 6.768 1.00 1.00 H new ATOM 0 HB2 ARG A 57 23.480 1.766 8.191 1.00 1.00 H new ATOM 0 HB3 ARG A 57 22.621 2.504 9.528 1.00 1.00 H new ATOM 0 HG2 ARG A 57 21.170 0.869 8.300 1.00 1.00 H new ATOM 0 HG3 ARG A 57 20.501 2.488 8.238 1.00 1.00 H new ATOM 0 HD2 ARG A 57 21.141 2.814 5.965 1.00 1.00 H new ATOM 0 HD3 ARG A 57 22.378 1.575 6.030 1.00 1.00 H new ATOM 0 HE ARG A 57 19.556 1.172 5.436 1.00 1.00 H new ATOM 0 HH11 ARG A 57 22.449 -0.197 6.879 1.00 1.00 H new ATOM 0 HH12 ARG A 57 21.954 -1.869 6.596 1.00 1.00 H new ATOM 0 HH21 ARG A 57 18.934 -0.977 5.076 1.00 1.00 H new ATOM 0 HH22 ARG A 57 19.981 -2.306 5.584 1.00 1.00 H new ATOM 420 N ALA A 58 21.713 5.418 9.214 1.00 1.00 N ATOM 421 CA ALA A 58 20.607 6.304 9.558 1.00 1.00 C ATOM 422 C ALA A 58 20.477 7.416 8.524 1.00 1.00 C ATOM 423 O ALA A 58 19.372 7.827 8.178 1.00 1.00 O ATOM 424 CB ALA A 58 20.836 6.907 10.944 1.00 1.00 C ATOM 0 H ALA A 58 22.462 5.383 9.906 1.00 1.00 H new ATOM 0 HA ALA A 58 19.684 5.725 9.567 1.00 1.00 H new ATOM 0 HB1 ALA A 58 20.006 7.568 11.195 1.00 1.00 H new ATOM 0 HB2 ALA A 58 20.900 6.108 11.683 1.00 1.00 H new ATOM 0 HB3 ALA A 58 21.766 7.476 10.944 1.00 1.00 H new ATOM 430 N GLU A 59 21.615 7.894 8.034 1.00 1.00 N ATOM 431 CA GLU A 59 21.623 8.953 7.029 1.00 1.00 C ATOM 432 C GLU A 59 21.027 8.451 5.728 1.00 1.00 C ATOM 433 O GLU A 59 20.250 9.139 5.091 1.00 1.00 O ATOM 434 CB GLU A 59 23.053 9.449 6.798 1.00 1.00 C ATOM 435 CG GLU A 59 23.994 8.252 6.658 1.00 1.00 C ATOM 436 CD GLU A 59 25.403 8.724 6.346 1.00 1.00 C ATOM 437 OE1 GLU A 59 25.807 9.726 6.907 1.00 1.00 O ATOM 438 OE2 GLU A 59 26.060 8.072 5.552 1.00 1.00 O ATOM 0 H GLU A 59 22.540 7.568 8.314 1.00 1.00 H new ATOM 0 HA GLU A 59 21.016 9.783 7.392 1.00 1.00 H new ATOM 0 HB2 GLU A 59 23.095 10.064 5.899 1.00 1.00 H new ATOM 0 HB3 GLU A 59 23.369 10.078 7.630 1.00 1.00 H new ATOM 0 HG2 GLU A 59 23.994 7.671 7.580 1.00 1.00 H new ATOM 0 HG3 GLU A 59 23.640 7.593 5.865 1.00 1.00 H new ATOM 445 N LEU A 60 21.380 7.245 5.346 1.00 1.00 N ATOM 446 CA LEU A 60 20.861 6.660 4.119 1.00 1.00 C ATOM 447 C LEU A 60 19.348 6.872 4.012 1.00 1.00 C ATOM 448 O LEU A 60 18.746 6.634 2.968 1.00 1.00 O ATOM 449 CB LEU A 60 21.189 5.163 4.072 1.00 1.00 C ATOM 450 CG LEU A 60 21.197 4.673 2.607 1.00 1.00 C ATOM 451 CD1 LEU A 60 22.583 4.908 1.987 1.00 1.00 C ATOM 452 CD2 LEU A 60 20.868 3.183 2.561 1.00 1.00 C ATOM 0 H LEU A 60 22.024 6.646 5.863 1.00 1.00 H new ATOM 0 HA LEU A 60 21.336 7.156 3.273 1.00 1.00 H new ATOM 0 HB2 LEU A 60 22.160 4.980 4.531 1.00 1.00 H new ATOM 0 HB3 LEU A 60 20.453 4.602 4.648 1.00 1.00 H new ATOM 0 HG LEU A 60 20.449 5.229 2.042 1.00 1.00 H new ATOM 0 HD11 LEU A 60 22.583 4.561 0.954 1.00 1.00 H new ATOM 0 HD12 LEU A 60 22.817 5.972 2.012 1.00 1.00 H new ATOM 0 HD13 LEU A 60 23.334 4.358 2.555 1.00 1.00 H new ATOM 0 HD21 LEU A 60 20.874 2.841 1.526 1.00 1.00 H new ATOM 0 HD22 LEU A 60 21.613 2.628 3.131 1.00 1.00 H new ATOM 0 HD23 LEU A 60 19.881 3.015 2.993 1.00 1.00 H new ATOM 464 N PHE A 61 18.738 7.269 5.114 1.00 1.00 N ATOM 465 CA PHE A 61 17.297 7.467 5.153 1.00 1.00 C ATOM 466 C PHE A 61 16.858 8.463 4.092 1.00 1.00 C ATOM 467 O PHE A 61 15.913 8.211 3.347 1.00 1.00 O ATOM 468 CB PHE A 61 16.890 7.980 6.545 1.00 1.00 C ATOM 469 CG PHE A 61 16.809 6.824 7.528 1.00 1.00 C ATOM 470 CD1 PHE A 61 17.625 5.687 7.378 1.00 1.00 C ATOM 471 CD2 PHE A 61 15.901 6.882 8.587 1.00 1.00 C ATOM 472 CE1 PHE A 61 17.531 4.635 8.273 1.00 1.00 C ATOM 473 CE2 PHE A 61 15.805 5.817 9.486 1.00 1.00 C ATOM 474 CZ PHE A 61 16.623 4.694 9.328 1.00 1.00 C ATOM 0 H PHE A 61 19.216 7.461 5.994 1.00 1.00 H new ATOM 0 HA PHE A 61 16.808 6.514 4.952 1.00 1.00 H new ATOM 0 HB2 PHE A 61 17.615 8.715 6.896 1.00 1.00 H new ATOM 0 HB3 PHE A 61 15.926 8.485 6.487 1.00 1.00 H new ATOM 0 HD1 PHE A 61 18.328 5.635 6.560 1.00 1.00 H new ATOM 0 HD2 PHE A 61 15.272 7.751 8.711 1.00 1.00 H new ATOM 0 HE1 PHE A 61 18.163 3.767 8.153 1.00 1.00 H new ATOM 0 HE2 PHE A 61 15.099 5.861 10.302 1.00 1.00 H new ATOM 0 HZ PHE A 61 16.551 3.872 10.024 1.00 1.00 H new ATOM 484 N GLU A 62 17.553 9.581 4.022 1.00 1.00 N ATOM 485 CA GLU A 62 17.227 10.609 3.043 1.00 1.00 C ATOM 486 C GLU A 62 17.391 10.067 1.627 1.00 1.00 C ATOM 487 O GLU A 62 16.587 10.361 0.746 1.00 1.00 O ATOM 488 CB GLU A 62 18.139 11.840 3.239 1.00 1.00 C ATOM 489 CG GLU A 62 19.458 11.406 3.855 1.00 1.00 C ATOM 490 CD GLU A 62 20.488 12.520 3.745 1.00 1.00 C ATOM 491 OE1 GLU A 62 20.104 13.668 3.882 1.00 1.00 O ATOM 492 OE2 GLU A 62 21.647 12.207 3.532 1.00 1.00 O ATOM 0 H GLU A 62 18.344 9.804 4.626 1.00 1.00 H new ATOM 0 HA GLU A 62 16.189 10.907 3.189 1.00 1.00 H new ATOM 0 HB2 GLU A 62 18.317 12.329 2.281 1.00 1.00 H new ATOM 0 HB3 GLU A 62 17.648 12.570 3.883 1.00 1.00 H new ATOM 0 HG2 GLU A 62 19.308 11.143 4.902 1.00 1.00 H new ATOM 0 HG3 GLU A 62 19.825 10.512 3.351 1.00 1.00 H new ATOM 499 N LYS A 63 18.437 9.282 1.414 1.00 1.00 N ATOM 500 CA LYS A 63 18.691 8.726 0.091 1.00 1.00 C ATOM 501 C LYS A 63 17.476 7.948 -0.395 1.00 1.00 C ATOM 502 O LYS A 63 17.038 8.117 -1.532 1.00 1.00 O ATOM 503 CB LYS A 63 19.920 7.796 0.147 1.00 1.00 C ATOM 504 CG LYS A 63 21.207 8.607 -0.017 1.00 1.00 C ATOM 505 CD LYS A 63 21.343 9.594 1.141 1.00 1.00 C ATOM 506 CE LYS A 63 22.769 10.134 1.180 1.00 1.00 C ATOM 507 NZ LYS A 63 23.711 9.024 1.493 1.00 1.00 N ATOM 0 H LYS A 63 19.116 9.018 2.128 1.00 1.00 H new ATOM 0 HA LYS A 63 18.886 9.542 -0.605 1.00 1.00 H new ATOM 0 HB2 LYS A 63 19.937 7.262 1.097 1.00 1.00 H new ATOM 0 HB3 LYS A 63 19.852 7.045 -0.640 1.00 1.00 H new ATOM 0 HG2 LYS A 63 22.068 7.940 -0.042 1.00 1.00 H new ATOM 0 HG3 LYS A 63 21.192 9.144 -0.966 1.00 1.00 H new ATOM 0 HD2 LYS A 63 20.635 10.414 1.020 1.00 1.00 H new ATOM 0 HD3 LYS A 63 21.103 9.102 2.083 1.00 1.00 H new ATOM 0 HE2 LYS A 63 23.026 10.583 0.221 1.00 1.00 H new ATOM 0 HE3 LYS A 63 22.852 10.919 1.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 24.542 9.404 1.990 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 23.235 8.325 2.098 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 24.015 8.567 0.610 1.00 1.00 H new ATOM 521 N GLN A 64 16.927 7.111 0.473 1.00 1.00 N ATOM 522 CA GLN A 64 15.754 6.325 0.116 1.00 1.00 C ATOM 523 C GLN A 64 14.561 7.244 -0.132 1.00 1.00 C ATOM 524 O GLN A 64 13.765 7.013 -1.040 1.00 1.00 O ATOM 525 CB GLN A 64 15.423 5.340 1.235 1.00 1.00 C ATOM 526 CG GLN A 64 16.544 4.306 1.352 1.00 1.00 C ATOM 527 CD GLN A 64 16.211 3.299 2.448 1.00 1.00 C ATOM 528 OE1 GLN A 64 15.115 2.739 2.466 1.00 1.00 O ATOM 529 NE2 GLN A 64 17.095 3.037 3.372 1.00 1.00 N ATOM 0 H GLN A 64 17.271 6.959 1.421 1.00 1.00 H new ATOM 0 HA GLN A 64 15.970 5.769 -0.796 1.00 1.00 H new ATOM 0 HB2 GLN A 64 15.304 5.872 2.179 1.00 1.00 H new ATOM 0 HB3 GLN A 64 14.475 4.843 1.028 1.00 1.00 H new ATOM 0 HG2 GLN A 64 16.676 3.791 0.401 1.00 1.00 H new ATOM 0 HG3 GLN A 64 17.487 4.804 1.578 1.00 1.00 H new ATOM 0 HE21 GLN A 64 18.003 3.502 3.356 1.00 1.00 H new ATOM 0 HE22 GLN A 64 16.878 2.367 4.110 1.00 1.00 H new ATOM 538 N ILE A 65 14.447 8.287 0.683 1.00 1.00 N ATOM 539 CA ILE A 65 13.347 9.236 0.543 1.00 1.00 C ATOM 540 C ILE A 65 13.435 9.963 -0.800 1.00 1.00 C ATOM 541 O ILE A 65 12.428 10.137 -1.484 1.00 1.00 O ATOM 542 CB ILE A 65 13.398 10.255 1.679 1.00 1.00 C ATOM 543 CG1 ILE A 65 13.099 9.555 3.014 1.00 1.00 C ATOM 544 CG2 ILE A 65 12.347 11.351 1.437 1.00 1.00 C ATOM 545 CD1 ILE A 65 13.549 10.440 4.185 1.00 1.00 C ATOM 0 H ILE A 65 15.096 8.496 1.441 1.00 1.00 H new ATOM 0 HA ILE A 65 12.406 8.687 0.585 1.00 1.00 H new ATOM 0 HB ILE A 65 14.391 10.702 1.715 1.00 1.00 H new ATOM 0 HG12 ILE A 65 12.032 9.347 3.094 1.00 1.00 H new ATOM 0 HG13 ILE A 65 13.614 8.595 3.054 1.00 1.00 H new ATOM 0 HG21 ILE A 65 12.385 12.077 2.249 1.00 1.00 H new ATOM 0 HG22 ILE A 65 12.555 11.852 0.492 1.00 1.00 H new ATOM 0 HG23 ILE A 65 11.355 10.901 1.399 1.00 1.00 H new ATOM 0 HD11 ILE A 65 13.333 9.935 5.127 1.00 1.00 H new ATOM 0 HD12 ILE A 65 14.621 10.625 4.110 1.00 1.00 H new ATOM 0 HD13 ILE A 65 13.014 11.389 4.151 1.00 1.00 H new ATOM 557 N VAL A 66 14.644 10.386 -1.167 1.00 1.00 N ATOM 558 CA VAL A 66 14.846 11.089 -2.420 1.00 1.00 C ATOM 559 C VAL A 66 14.452 10.200 -3.593 1.00 1.00 C ATOM 560 O VAL A 66 13.768 10.642 -4.515 1.00 1.00 O ATOM 561 CB VAL A 66 16.312 11.507 -2.547 1.00 1.00 C ATOM 562 CG1 VAL A 66 16.558 12.074 -3.942 1.00 1.00 C ATOM 563 CG2 VAL A 66 16.634 12.577 -1.499 1.00 1.00 C ATOM 0 H VAL A 66 15.490 10.252 -0.614 1.00 1.00 H new ATOM 0 HA VAL A 66 14.218 11.980 -2.432 1.00 1.00 H new ATOM 0 HB VAL A 66 16.951 10.639 -2.387 1.00 1.00 H new ATOM 0 HG11 VAL A 66 17.602 12.373 -4.034 1.00 1.00 H new ATOM 0 HG12 VAL A 66 16.330 11.314 -4.689 1.00 1.00 H new ATOM 0 HG13 VAL A 66 15.917 12.941 -4.100 1.00 1.00 H new ATOM 0 HG21 VAL A 66 17.679 12.874 -1.591 1.00 1.00 H new ATOM 0 HG22 VAL A 66 15.995 13.446 -1.658 1.00 1.00 H new ATOM 0 HG23 VAL A 66 16.458 12.174 -0.502 1.00 1.00 H new ATOM 573 N GLN A 67 14.883 8.945 -3.548 1.00 1.00 N ATOM 574 CA GLN A 67 14.568 8.003 -4.614 1.00 1.00 C ATOM 575 C GLN A 67 13.058 7.835 -4.743 1.00 1.00 C ATOM 576 O GLN A 67 12.550 7.504 -5.814 1.00 1.00 O ATOM 577 CB GLN A 67 15.213 6.647 -4.316 1.00 1.00 C ATOM 578 CG GLN A 67 16.732 6.766 -4.444 1.00 1.00 C ATOM 579 CD GLN A 67 17.394 5.460 -4.020 1.00 1.00 C ATOM 580 OE1 GLN A 67 16.977 4.384 -4.447 1.00 1.00 O ATOM 581 NE2 GLN A 67 18.406 5.490 -3.196 1.00 1.00 N ATOM 0 H GLN A 67 15.447 8.559 -2.791 1.00 1.00 H new ATOM 0 HA GLN A 67 14.961 8.393 -5.553 1.00 1.00 H new ATOM 0 HB2 GLN A 67 14.947 6.319 -3.311 1.00 1.00 H new ATOM 0 HB3 GLN A 67 14.837 5.893 -5.008 1.00 1.00 H new ATOM 0 HG2 GLN A 67 17.001 7.002 -5.473 1.00 1.00 H new ATOM 0 HG3 GLN A 67 17.095 7.585 -3.823 1.00 1.00 H new ATOM 0 HE21 GLN A 67 18.750 6.383 -2.843 1.00 1.00 H new ATOM 0 HE22 GLN A 67 18.853 4.620 -2.905 1.00 1.00 H new ATOM 590 N HIS A 68 12.345 8.072 -3.645 1.00 1.00 N ATOM 591 CA HIS A 68 10.892 7.946 -3.646 1.00 1.00 C ATOM 592 C HIS A 68 10.252 9.187 -4.256 1.00 1.00 C ATOM 593 O HIS A 68 9.029 9.287 -4.340 1.00 1.00 O ATOM 594 CB HIS A 68 10.380 7.758 -2.217 1.00 1.00 C ATOM 595 CG HIS A 68 11.044 6.558 -1.603 1.00 1.00 C ATOM 596 ND1 HIS A 68 10.944 6.268 -0.252 1.00 1.00 N ATOM 597 CD2 HIS A 68 11.823 5.564 -2.142 1.00 1.00 C ATOM 598 CE1 HIS A 68 11.643 5.143 -0.024 1.00 1.00 C ATOM 599 NE2 HIS A 68 12.200 4.672 -1.143 1.00 1.00 N ATOM 0 H HIS A 68 12.747 8.350 -2.750 1.00 1.00 H new ATOM 0 HA HIS A 68 10.622 7.076 -4.244 1.00 1.00 H new ATOM 0 HB2 HIS A 68 10.591 8.648 -1.623 1.00 1.00 H new ATOM 0 HB3 HIS A 68 9.298 7.626 -2.221 1.00 1.00 H new ATOM 0 HD2 HIS A 68 12.101 5.486 -3.183 1.00 1.00 H new ATOM 0 HE1 HIS A 68 11.742 4.677 0.945 1.00 1.00 H new ATOM 0 HE2 HIS A 68 12.778 3.837 -1.244 1.00 1.00 H new ATOM 608 N GLY A 69 11.088 10.134 -4.677 1.00 1.00 N ATOM 609 CA GLY A 69 10.599 11.374 -5.280 1.00 1.00 C ATOM 610 C GLY A 69 10.593 12.508 -4.261 1.00 1.00 C ATOM 611 O GLY A 69 10.559 13.681 -4.629 1.00 1.00 O ATOM 0 H GLY A 69 12.104 10.068 -4.612 1.00 1.00 H new ATOM 0 HA2 GLY A 69 11.229 11.644 -6.127 1.00 1.00 H new ATOM 0 HA3 GLY A 69 9.592 11.222 -5.667 1.00 1.00 H new ATOM 615 N GLY A 70 10.623 12.153 -2.977 1.00 1.00 N ATOM 616 CA GLY A 70 10.617 13.153 -1.912 1.00 1.00 C ATOM 617 C GLY A 70 11.955 13.864 -1.841 1.00 1.00 C ATOM 618 O GLY A 70 12.883 13.393 -1.196 1.00 1.00 O ATOM 0 H GLY A 70 10.652 11.187 -2.651 1.00 1.00 H new ATOM 0 HA2 GLY A 70 9.823 13.878 -2.091 1.00 1.00 H new ATOM 0 HA3 GLY A 70 10.402 12.674 -0.957 1.00 1.00 H new ATOM 622 N GLN A 71 12.048 15.004 -2.521 1.00 1.00 N ATOM 623 CA GLN A 71 13.284 15.772 -2.530 1.00 1.00 C ATOM 624 C GLN A 71 13.443 16.540 -1.223 1.00 1.00 C ATOM 625 O GLN A 71 12.460 16.991 -0.638 1.00 1.00 O ATOM 626 CB GLN A 71 13.283 16.759 -3.699 1.00 1.00 C ATOM 627 CG GLN A 71 12.088 17.707 -3.561 1.00 1.00 C ATOM 628 CD GLN A 71 11.999 18.611 -4.786 1.00 1.00 C ATOM 629 OE1 GLN A 71 12.446 18.236 -5.869 1.00 1.00 O ATOM 630 NE2 GLN A 71 11.441 19.786 -4.678 1.00 1.00 N ATOM 0 H GLN A 71 11.289 15.411 -3.067 1.00 1.00 H new ATOM 0 HA GLN A 71 14.117 15.078 -2.641 1.00 1.00 H new ATOM 0 HB2 GLN A 71 14.213 17.327 -3.711 1.00 1.00 H new ATOM 0 HB3 GLN A 71 13.227 16.220 -4.645 1.00 1.00 H new ATOM 0 HG2 GLN A 71 11.168 17.133 -3.454 1.00 1.00 H new ATOM 0 HG3 GLN A 71 12.194 18.311 -2.660 1.00 1.00 H new ATOM 0 HE21 GLN A 71 11.071 20.094 -3.779 1.00 1.00 H new ATOM 0 HE22 GLN A 71 11.375 20.396 -5.493 1.00 1.00 H new ATOM 639 N LEU A 72 14.687 16.677 -0.764 1.00 1.00 N ATOM 640 CA LEU A 72 14.971 17.385 0.489 1.00 1.00 C ATOM 641 C LEU A 72 15.609 18.732 0.200 1.00 1.00 C ATOM 642 O LEU A 72 16.371 18.879 -0.754 1.00 1.00 O ATOM 643 CB LEU A 72 15.906 16.537 1.366 1.00 1.00 C ATOM 644 CG LEU A 72 15.566 15.049 1.192 1.00 1.00 C ATOM 645 CD1 LEU A 72 16.430 14.222 2.142 1.00 1.00 C ATOM 646 CD2 LEU A 72 14.068 14.790 1.485 1.00 1.00 C ATOM 0 H LEU A 72 15.513 16.310 -1.237 1.00 1.00 H new ATOM 0 HA LEU A 72 14.034 17.550 1.021 1.00 1.00 H new ATOM 0 HB2 LEU A 72 16.945 16.718 1.089 1.00 1.00 H new ATOM 0 HB3 LEU A 72 15.800 16.825 2.412 1.00 1.00 H new ATOM 0 HG LEU A 72 15.767 14.759 0.161 1.00 1.00 H new ATOM 0 HD11 LEU A 72 16.193 13.165 2.023 1.00 1.00 H new ATOM 0 HD12 LEU A 72 17.483 14.386 1.912 1.00 1.00 H new ATOM 0 HD13 LEU A 72 16.232 14.524 3.170 1.00 1.00 H new ATOM 0 HD21 LEU A 72 13.850 13.730 1.356 1.00 1.00 H new ATOM 0 HD22 LEU A 72 13.841 15.085 2.510 1.00 1.00 H new ATOM 0 HD23 LEU A 72 13.456 15.373 0.796 1.00 1.00 H new ATOM 658 N CYS A 73 15.292 19.713 1.032 1.00 1.00 N ATOM 659 CA CYS A 73 15.843 21.045 0.858 1.00 1.00 C ATOM 660 C CYS A 73 15.666 21.869 2.142 1.00 1.00 C ATOM 661 O CYS A 73 14.639 22.525 2.326 1.00 1.00 O ATOM 662 CB CYS A 73 15.160 21.747 -0.313 1.00 1.00 C ATOM 663 SG CYS A 73 16.032 21.327 -1.846 1.00 1.00 S ATOM 0 H CYS A 73 14.661 19.612 1.827 1.00 1.00 H new ATOM 0 HA CYS A 73 16.908 20.956 0.645 1.00 1.00 H new ATOM 0 HB2 CYS A 73 14.116 21.441 -0.378 1.00 1.00 H new ATOM 0 HB3 CYS A 73 15.166 22.826 -0.160 1.00 1.00 H new ATOM 0 HG CYS A 73 16.421 20.087 -1.799 1.00 1.00 H new ATOM 669 N PRO A 74 16.633 21.844 3.029 1.00 1.00 N ATOM 670 CA PRO A 74 16.566 22.603 4.315 1.00 1.00 C ATOM 671 C PRO A 74 16.671 24.106 4.096 1.00 1.00 C ATOM 672 O PRO A 74 16.551 24.583 2.972 1.00 1.00 O ATOM 673 CB PRO A 74 17.759 22.064 5.120 1.00 1.00 C ATOM 674 CG PRO A 74 18.723 21.550 4.098 1.00 1.00 C ATOM 675 CD PRO A 74 17.890 21.088 2.909 1.00 1.00 C ATOM 0 HA PRO A 74 15.614 22.465 4.829 1.00 1.00 H new ATOM 0 HB2 PRO A 74 18.210 22.848 5.727 1.00 1.00 H new ATOM 0 HB3 PRO A 74 17.448 21.272 5.801 1.00 1.00 H new ATOM 0 HG2 PRO A 74 19.425 22.329 3.800 1.00 1.00 H new ATOM 0 HG3 PRO A 74 19.313 20.727 4.501 1.00 1.00 H new ATOM 0 HD2 PRO A 74 18.393 21.299 1.965 1.00 1.00 H new ATOM 0 HD3 PRO A 74 17.712 20.013 2.942 1.00 1.00 H new ATOM 683 N ALA A 75 16.888 24.842 5.182 1.00 1.00 N ATOM 684 CA ALA A 75 17.000 26.298 5.104 1.00 1.00 C ATOM 685 C ALA A 75 17.758 26.717 3.850 1.00 1.00 C ATOM 686 O ALA A 75 17.545 27.806 3.318 1.00 1.00 O ATOM 687 CB ALA A 75 17.729 26.831 6.338 1.00 1.00 C ATOM 0 H ALA A 75 16.990 24.459 6.122 1.00 1.00 H new ATOM 0 HA ALA A 75 15.994 26.715 5.062 1.00 1.00 H new ATOM 0 HB1 ALA A 75 17.809 27.916 6.273 1.00 1.00 H new ATOM 0 HB2 ALA A 75 17.171 26.561 7.235 1.00 1.00 H new ATOM 0 HB3 ALA A 75 18.727 26.396 6.387 1.00 1.00 H new ATOM 693 N GLN A 76 18.631 25.838 3.380 1.00 1.00 N ATOM 694 CA GLN A 76 19.412 26.125 2.177 1.00 1.00 C ATOM 695 C GLN A 76 18.492 26.259 0.964 1.00 1.00 C ATOM 696 O GLN A 76 18.953 26.459 -0.160 1.00 1.00 O ATOM 697 CB GLN A 76 20.427 25.004 1.933 1.00 1.00 C ATOM 698 CG GLN A 76 19.714 23.765 1.380 1.00 1.00 C ATOM 699 CD GLN A 76 20.620 22.544 1.487 1.00 1.00 C ATOM 700 OE1 GLN A 76 21.430 22.426 2.503 1.00 1.00 O flip ATOM 701 NE2 GLN A 76 20.586 21.670 0.620 1.00 1.00 N flip ATOM 0 H GLN A 76 18.818 24.930 3.804 1.00 1.00 H new ATOM 0 HA GLN A 76 19.942 27.066 2.323 1.00 1.00 H new ATOM 0 HB2 GLN A 76 21.190 25.339 1.230 1.00 1.00 H new ATOM 0 HB3 GLN A 76 20.938 24.755 2.863 1.00 1.00 H new ATOM 0 HG2 GLN A 76 18.791 23.591 1.932 1.00 1.00 H new ATOM 0 HG3 GLN A 76 19.436 23.931 0.339 1.00 1.00 H new ATOM 0 HE21 GLN A 76 19.952 21.763 -0.174 1.00 1.00 H new ATOM 0 HE22 GLN A 76 21.192 20.853 0.696 1.00 1.00 H new ATOM 710 N GLY A 77 17.192 26.132 1.199 1.00 1.00 N ATOM 711 CA GLY A 77 16.223 26.234 0.119 1.00 1.00 C ATOM 712 C GLY A 77 14.874 25.647 0.534 1.00 1.00 C ATOM 713 O GLY A 77 14.784 24.885 1.493 1.00 1.00 O ATOM 0 H GLY A 77 16.788 25.960 2.120 1.00 1.00 H new ATOM 0 HA2 GLY A 77 16.097 27.279 -0.163 1.00 1.00 H new ATOM 0 HA3 GLY A 77 16.597 25.709 -0.760 1.00 1.00 H new ATOM 717 N PRO A 78 13.832 25.989 -0.173 1.00 1.00 N ATOM 718 CA PRO A 78 12.457 25.491 0.127 1.00 1.00 C ATOM 719 C PRO A 78 12.338 23.988 -0.095 1.00 1.00 C ATOM 720 O PRO A 78 12.927 23.441 -1.025 1.00 1.00 O ATOM 721 CB PRO A 78 11.562 26.275 -0.850 1.00 1.00 C ATOM 722 CG PRO A 78 12.473 26.675 -1.970 1.00 1.00 C ATOM 723 CD PRO A 78 13.848 26.880 -1.342 1.00 1.00 C ATOM 0 HA PRO A 78 12.179 25.643 1.170 1.00 1.00 H new ATOM 0 HB2 PRO A 78 10.738 25.660 -1.211 1.00 1.00 H new ATOM 0 HB3 PRO A 78 11.121 27.148 -0.368 1.00 1.00 H new ATOM 0 HG2 PRO A 78 12.507 25.904 -2.740 1.00 1.00 H new ATOM 0 HG3 PRO A 78 12.123 27.589 -2.450 1.00 1.00 H new ATOM 0 HD2 PRO A 78 14.648 26.618 -2.035 1.00 1.00 H new ATOM 0 HD3 PRO A 78 14.005 27.919 -1.052 1.00 1.00 H new ATOM 731 N GLY A 79 11.555 23.331 0.756 1.00 1.00 N ATOM 732 CA GLY A 79 11.344 21.889 0.644 1.00 1.00 C ATOM 733 C GLY A 79 11.882 21.157 1.865 1.00 1.00 C ATOM 734 O GLY A 79 12.838 20.389 1.767 1.00 1.00 O ATOM 0 H GLY A 79 11.057 23.772 1.529 1.00 1.00 H new ATOM 0 HA2 GLY A 79 10.280 21.682 0.533 1.00 1.00 H new ATOM 0 HA3 GLY A 79 11.837 21.515 -0.254 1.00 1.00 H new ATOM 738 N VAL A 80 11.262 21.402 3.014 1.00 1.00 N ATOM 739 CA VAL A 80 11.677 20.756 4.254 1.00 1.00 C ATOM 740 C VAL A 80 10.556 20.822 5.293 1.00 1.00 C ATOM 741 O VAL A 80 10.666 21.498 6.310 1.00 1.00 O ATOM 742 CB VAL A 80 12.941 21.430 4.803 1.00 1.00 C ATOM 743 CG1 VAL A 80 12.738 22.954 4.840 1.00 1.00 C ATOM 744 CG2 VAL A 80 13.251 20.893 6.228 1.00 1.00 C ATOM 0 H VAL A 80 10.473 22.041 3.113 1.00 1.00 H new ATOM 0 HA VAL A 80 11.896 19.709 4.043 1.00 1.00 H new ATOM 0 HB VAL A 80 13.785 21.200 4.152 1.00 1.00 H new ATOM 0 HG11 VAL A 80 13.637 23.431 5.230 1.00 1.00 H new ATOM 0 HG12 VAL A 80 12.541 23.319 3.832 1.00 1.00 H new ATOM 0 HG13 VAL A 80 11.892 23.193 5.484 1.00 1.00 H new ATOM 0 HG21 VAL A 80 14.150 21.376 6.611 1.00 1.00 H new ATOM 0 HG22 VAL A 80 12.412 21.110 6.889 1.00 1.00 H new ATOM 0 HG23 VAL A 80 13.409 19.815 6.184 1.00 1.00 H new ATOM 754 N THR A 81 9.477 20.114 5.033 1.00 1.00 N ATOM 755 CA THR A 81 8.353 20.112 5.952 1.00 1.00 C ATOM 756 C THR A 81 8.663 19.283 7.192 1.00 1.00 C ATOM 757 O THR A 81 8.199 19.591 8.285 1.00 1.00 O ATOM 758 CB THR A 81 7.115 19.544 5.259 1.00 1.00 C ATOM 759 OG1 THR A 81 5.983 19.712 6.103 1.00 1.00 O ATOM 760 CG2 THR A 81 7.324 18.055 4.979 1.00 1.00 C ATOM 0 H THR A 81 9.352 19.537 4.201 1.00 1.00 H new ATOM 0 HA THR A 81 8.164 21.141 6.259 1.00 1.00 H new ATOM 0 HB THR A 81 6.951 20.070 4.319 1.00 1.00 H new ATOM 0 HG1 THR A 81 5.188 19.350 5.660 1.00 1.00 H new ATOM 0 HG21 THR A 81 6.441 17.650 4.485 1.00 1.00 H new ATOM 0 HG22 THR A 81 8.193 17.925 4.334 1.00 1.00 H new ATOM 0 HG23 THR A 81 7.488 17.528 5.919 1.00 1.00 H new ATOM 768 N HIS A 82 9.446 18.224 7.013 1.00 1.00 N ATOM 769 CA HIS A 82 9.805 17.337 8.129 1.00 1.00 C ATOM 770 C HIS A 82 11.307 17.352 8.371 1.00 1.00 C ATOM 771 O HIS A 82 12.097 17.486 7.437 1.00 1.00 O ATOM 772 CB HIS A 82 9.352 15.908 7.807 1.00 1.00 C ATOM 773 CG HIS A 82 7.874 15.779 8.042 1.00 1.00 C ATOM 774 ND1 HIS A 82 6.998 15.389 7.044 1.00 1.00 N ATOM 775 CD2 HIS A 82 7.106 15.986 9.158 1.00 1.00 C ATOM 776 CE1 HIS A 82 5.764 15.375 7.577 1.00 1.00 C ATOM 777 NE2 HIS A 82 5.773 15.730 8.862 1.00 1.00 N ATOM 0 H HIS A 82 9.845 17.955 6.114 1.00 1.00 H new ATOM 0 HA HIS A 82 9.307 17.692 9.031 1.00 1.00 H new ATOM 0 HB2 HIS A 82 9.587 15.667 6.770 1.00 1.00 H new ATOM 0 HB3 HIS A 82 9.892 15.196 8.431 1.00 1.00 H new ATOM 0 HD2 HIS A 82 7.480 16.300 10.121 1.00 1.00 H new ATOM 0 HE1 HIS A 82 4.872 15.108 7.030 1.00 1.00 H new ATOM 0 HE2 HIS A 82 4.974 15.799 9.492 1.00 1.00 H new ATOM 786 N ILE A 83 11.695 17.222 9.641 1.00 1.00 N ATOM 787 CA ILE A 83 13.107 17.207 9.995 1.00 1.00 C ATOM 788 C ILE A 83 13.367 16.128 11.034 1.00 1.00 C ATOM 789 O ILE A 83 12.935 16.238 12.178 1.00 1.00 O ATOM 790 CB ILE A 83 13.510 18.566 10.535 1.00 1.00 C ATOM 791 CG1 ILE A 83 12.974 19.680 9.621 1.00 1.00 C ATOM 792 CG2 ILE A 83 15.038 18.662 10.609 1.00 1.00 C ATOM 793 CD1 ILE A 83 13.188 21.050 10.267 1.00 1.00 C ATOM 0 H ILE A 83 11.056 17.127 10.430 1.00 1.00 H new ATOM 0 HA ILE A 83 13.701 16.988 9.108 1.00 1.00 H new ATOM 0 HB ILE A 83 13.087 18.686 11.532 1.00 1.00 H new ATOM 0 HG12 ILE A 83 13.480 19.643 8.656 1.00 1.00 H new ATOM 0 HG13 ILE A 83 11.912 19.523 9.430 1.00 1.00 H new ATOM 0 HG21 ILE A 83 15.323 19.640 10.997 1.00 1.00 H new ATOM 0 HG22 ILE A 83 15.420 17.884 11.270 1.00 1.00 H new ATOM 0 HG23 ILE A 83 15.460 18.531 9.612 1.00 1.00 H new ATOM 0 HD11 ILE A 83 12.803 21.828 9.607 1.00 1.00 H new ATOM 0 HD12 ILE A 83 12.661 21.089 11.220 1.00 1.00 H new ATOM 0 HD13 ILE A 83 14.253 21.211 10.435 1.00 1.00 H new ATOM 805 N VAL A 84 14.080 15.090 10.637 1.00 1.00 N ATOM 806 CA VAL A 84 14.396 13.993 11.547 1.00 1.00 C ATOM 807 C VAL A 84 15.765 14.198 12.179 1.00 1.00 C ATOM 808 O VAL A 84 16.715 14.610 11.517 1.00 1.00 O ATOM 809 CB VAL A 84 14.363 12.662 10.780 1.00 1.00 C ATOM 810 CG1 VAL A 84 14.846 12.878 9.347 1.00 1.00 C ATOM 811 CG2 VAL A 84 15.260 11.623 11.474 1.00 1.00 C ATOM 0 H VAL A 84 14.453 14.979 9.694 1.00 1.00 H new ATOM 0 HA VAL A 84 13.651 13.971 12.343 1.00 1.00 H new ATOM 0 HB VAL A 84 13.338 12.292 10.766 1.00 1.00 H new ATOM 0 HG11 VAL A 84 14.821 11.931 8.808 1.00 1.00 H new ATOM 0 HG12 VAL A 84 14.196 13.597 8.848 1.00 1.00 H new ATOM 0 HG13 VAL A 84 15.867 13.260 9.361 1.00 1.00 H new ATOM 0 HG21 VAL A 84 15.227 10.685 10.919 1.00 1.00 H new ATOM 0 HG22 VAL A 84 16.286 11.990 11.504 1.00 1.00 H new ATOM 0 HG23 VAL A 84 14.904 11.456 12.491 1.00 1.00 H new ATOM 821 N VAL A 85 15.860 13.868 13.462 1.00 1.00 N ATOM 822 CA VAL A 85 17.126 13.983 14.192 1.00 1.00 C ATOM 823 C VAL A 85 17.427 12.700 14.962 1.00 1.00 C ATOM 824 O VAL A 85 16.562 11.838 15.121 1.00 1.00 O ATOM 825 CB VAL A 85 17.065 15.161 15.155 1.00 1.00 C ATOM 826 CG1 VAL A 85 16.932 16.462 14.360 1.00 1.00 C ATOM 827 CG2 VAL A 85 15.853 15.003 16.074 1.00 1.00 C ATOM 0 H VAL A 85 15.081 13.519 14.020 1.00 1.00 H new ATOM 0 HA VAL A 85 17.925 14.148 13.469 1.00 1.00 H new ATOM 0 HB VAL A 85 17.976 15.190 15.753 1.00 1.00 H new ATOM 0 HG11 VAL A 85 16.888 17.306 15.048 1.00 1.00 H new ATOM 0 HG12 VAL A 85 17.793 16.575 13.701 1.00 1.00 H new ATOM 0 HG13 VAL A 85 16.020 16.432 13.764 1.00 1.00 H new ATOM 0 HG21 VAL A 85 15.808 15.845 16.764 1.00 1.00 H new ATOM 0 HG22 VAL A 85 14.943 14.975 15.475 1.00 1.00 H new ATOM 0 HG23 VAL A 85 15.943 14.075 16.639 1.00 1.00 H new ATOM 837 N ASP A 86 18.664 12.580 15.433 1.00 1.00 N ATOM 838 CA ASP A 86 19.078 11.400 16.183 1.00 1.00 C ATOM 839 C ASP A 86 18.469 11.408 17.573 1.00 1.00 C ATOM 840 O ASP A 86 18.894 10.655 18.445 1.00 1.00 O ATOM 841 CB ASP A 86 20.600 11.355 16.300 1.00 1.00 C ATOM 842 CG ASP A 86 21.094 12.496 17.185 1.00 1.00 C ATOM 843 OD1 ASP A 86 20.274 13.306 17.587 1.00 1.00 O ATOM 844 OD2 ASP A 86 22.285 12.547 17.444 1.00 1.00 O ATOM 0 H ASP A 86 19.394 13.282 15.309 1.00 1.00 H new ATOM 0 HA ASP A 86 18.728 10.518 15.646 1.00 1.00 H new ATOM 0 HB2 ASP A 86 20.912 10.398 16.719 1.00 1.00 H new ATOM 0 HB3 ASP A 86 21.051 11.431 15.310 1.00 1.00 H new ATOM 849 N GLU A 87 17.475 12.269 17.773 1.00 1.00 N ATOM 850 CA GLU A 87 16.808 12.371 19.067 1.00 1.00 C ATOM 851 C GLU A 87 17.768 12.896 20.131 1.00 1.00 C ATOM 852 O GLU A 87 17.345 13.317 21.207 1.00 1.00 O ATOM 853 CB GLU A 87 16.272 10.998 19.491 1.00 1.00 C ATOM 854 CG GLU A 87 15.630 10.302 18.287 1.00 1.00 C ATOM 855 CD GLU A 87 14.757 9.142 18.755 1.00 1.00 C ATOM 856 OE1 GLU A 87 14.600 8.991 19.955 1.00 1.00 O ATOM 857 OE2 GLU A 87 14.264 8.420 17.905 1.00 1.00 O ATOM 0 H GLU A 87 17.115 12.903 17.060 1.00 1.00 H new ATOM 0 HA GLU A 87 15.978 13.071 18.969 1.00 1.00 H new ATOM 0 HB2 GLU A 87 17.083 10.387 19.887 1.00 1.00 H new ATOM 0 HB3 GLU A 87 15.540 11.113 20.290 1.00 1.00 H new ATOM 0 HG2 GLU A 87 15.029 11.015 17.723 1.00 1.00 H new ATOM 0 HG3 GLU A 87 16.405 9.935 17.614 1.00 1.00 H new ATOM 864 N GLY A 88 19.061 12.867 19.822 1.00 1.00 N ATOM 865 CA GLY A 88 20.070 13.338 20.757 1.00 1.00 C ATOM 866 C GLY A 88 19.911 14.829 21.023 1.00 1.00 C ATOM 867 O GLY A 88 19.891 15.264 22.172 1.00 1.00 O ATOM 0 H GLY A 88 19.431 12.524 18.935 1.00 1.00 H new ATOM 0 HA2 GLY A 88 19.989 12.787 21.694 1.00 1.00 H new ATOM 0 HA3 GLY A 88 21.064 13.140 20.356 1.00 1.00 H new ATOM 871 N MET A 89 19.799 15.609 19.953 1.00 1.00 N ATOM 872 CA MET A 89 19.641 17.056 20.080 1.00 1.00 C ATOM 873 C MET A 89 18.165 17.426 20.159 1.00 1.00 C ATOM 874 O MET A 89 17.301 16.669 19.722 1.00 1.00 O ATOM 875 CB MET A 89 20.289 17.756 18.885 1.00 1.00 C ATOM 876 CG MET A 89 19.422 17.568 17.636 1.00 1.00 C ATOM 877 SD MET A 89 20.367 18.025 16.163 1.00 1.00 S ATOM 878 CE MET A 89 21.574 16.678 16.229 1.00 1.00 C ATOM 0 H MET A 89 19.814 15.267 18.992 1.00 1.00 H new ATOM 0 HA MET A 89 20.132 17.381 20.997 1.00 1.00 H new ATOM 0 HB2 MET A 89 20.411 18.818 19.097 1.00 1.00 H new ATOM 0 HB3 MET A 89 21.285 17.350 18.711 1.00 1.00 H new ATOM 0 HG2 MET A 89 19.094 16.531 17.562 1.00 1.00 H new ATOM 0 HG3 MET A 89 18.524 18.182 17.709 1.00 1.00 H new ATOM 0 HE1 MET A 89 21.898 16.430 15.218 1.00 1.00 H new ATOM 0 HE2 MET A 89 22.435 16.990 16.820 1.00 1.00 H new ATOM 0 HE3 MET A 89 21.117 15.802 16.689 1.00 1.00 H new ATOM 888 N ASP A 90 17.886 18.598 20.712 1.00 1.00 N ATOM 889 CA ASP A 90 16.513 19.071 20.837 1.00 1.00 C ATOM 890 C ASP A 90 16.099 19.852 19.598 1.00 1.00 C ATOM 891 O ASP A 90 16.878 20.009 18.657 1.00 1.00 O ATOM 892 CB ASP A 90 16.380 19.954 22.081 1.00 1.00 C ATOM 893 CG ASP A 90 16.401 19.098 23.344 1.00 1.00 C ATOM 894 OD1 ASP A 90 16.174 17.905 23.235 1.00 1.00 O ATOM 895 OD2 ASP A 90 16.652 19.649 24.403 1.00 1.00 O ATOM 0 H ASP A 90 18.590 19.238 21.081 1.00 1.00 H new ATOM 0 HA ASP A 90 15.855 18.208 20.936 1.00 1.00 H new ATOM 0 HB2 ASP A 90 17.195 20.677 22.110 1.00 1.00 H new ATOM 0 HB3 ASP A 90 15.451 20.522 22.034 1.00 1.00 H new ATOM 900 N TYR A 91 14.867 20.337 19.607 1.00 1.00 N ATOM 901 CA TYR A 91 14.354 21.105 18.487 1.00 1.00 C ATOM 902 C TYR A 91 15.086 22.445 18.380 1.00 1.00 C ATOM 903 O TYR A 91 15.297 22.962 17.289 1.00 1.00 O ATOM 904 CB TYR A 91 12.830 21.327 18.647 1.00 1.00 C ATOM 905 CG TYR A 91 12.493 22.794 18.457 1.00 1.00 C ATOM 906 CD1 TYR A 91 12.719 23.695 19.502 1.00 1.00 C ATOM 907 CD2 TYR A 91 11.988 23.250 17.238 1.00 1.00 C ATOM 908 CE1 TYR A 91 12.435 25.053 19.329 1.00 1.00 C ATOM 909 CE2 TYR A 91 11.708 24.607 17.060 1.00 1.00 C ATOM 910 CZ TYR A 91 11.924 25.508 18.108 1.00 1.00 C ATOM 911 OH TYR A 91 11.644 26.846 17.932 1.00 1.00 O ATOM 0 H TYR A 91 14.207 20.212 20.375 1.00 1.00 H new ATOM 0 HA TYR A 91 14.528 20.546 17.568 1.00 1.00 H new ATOM 0 HB2 TYR A 91 12.289 20.724 17.918 1.00 1.00 H new ATOM 0 HB3 TYR A 91 12.509 20.997 19.635 1.00 1.00 H new ATOM 0 HD1 TYR A 91 13.113 23.342 20.443 1.00 1.00 H new ATOM 0 HD2 TYR A 91 11.814 22.553 16.432 1.00 1.00 H new ATOM 0 HE1 TYR A 91 12.610 25.749 20.136 1.00 1.00 H new ATOM 0 HE2 TYR A 91 11.325 24.960 16.114 1.00 1.00 H new ATOM 0 HH TYR A 91 11.298 26.991 17.027 1.00 1.00 H new ATOM 921 N GLU A 92 15.393 23.034 19.523 1.00 1.00 N ATOM 922 CA GLU A 92 16.035 24.340 19.543 1.00 1.00 C ATOM 923 C GLU A 92 17.359 24.306 18.802 1.00 1.00 C ATOM 924 O GLU A 92 17.659 25.193 18.001 1.00 1.00 O ATOM 925 CB GLU A 92 16.269 24.777 20.991 1.00 1.00 C ATOM 926 CG GLU A 92 17.295 23.848 21.645 1.00 1.00 C ATOM 927 CD GLU A 92 17.247 23.995 23.161 1.00 1.00 C ATOM 928 OE1 GLU A 92 16.963 25.087 23.622 1.00 1.00 O ATOM 929 OE2 GLU A 92 17.494 23.010 23.839 1.00 1.00 O ATOM 0 H GLU A 92 15.211 22.634 20.443 1.00 1.00 H new ATOM 0 HA GLU A 92 15.378 25.053 19.044 1.00 1.00 H new ATOM 0 HB2 GLU A 92 16.626 25.807 21.018 1.00 1.00 H new ATOM 0 HB3 GLU A 92 15.332 24.749 21.546 1.00 1.00 H new ATOM 0 HG2 GLU A 92 17.090 22.814 21.366 1.00 1.00 H new ATOM 0 HG3 GLU A 92 18.295 24.085 21.281 1.00 1.00 H new ATOM 936 N ARG A 93 18.154 23.283 19.079 1.00 1.00 N ATOM 937 CA ARG A 93 19.451 23.147 18.439 1.00 1.00 C ATOM 938 C ARG A 93 19.315 22.583 17.033 1.00 1.00 C ATOM 939 O ARG A 93 20.181 22.796 16.183 1.00 1.00 O ATOM 940 CB ARG A 93 20.343 22.232 19.270 1.00 1.00 C ATOM 941 CG ARG A 93 21.813 22.321 18.763 1.00 1.00 C ATOM 942 CD ARG A 93 22.270 20.969 18.248 1.00 1.00 C ATOM 943 NE ARG A 93 22.449 20.041 19.358 1.00 1.00 N ATOM 944 CZ ARG A 93 23.220 18.967 19.235 1.00 1.00 C ATOM 945 NH1 ARG A 93 23.824 18.727 18.104 1.00 1.00 N ATOM 946 NH2 ARG A 93 23.370 18.153 20.242 1.00 1.00 N ATOM 0 H ARG A 93 17.924 22.540 19.739 1.00 1.00 H new ATOM 0 HA ARG A 93 19.899 24.138 18.370 1.00 1.00 H new ATOM 0 HB2 ARG A 93 20.294 22.518 20.321 1.00 1.00 H new ATOM 0 HB3 ARG A 93 19.987 21.204 19.202 1.00 1.00 H new ATOM 0 HG2 ARG A 93 21.888 23.065 17.970 1.00 1.00 H new ATOM 0 HG3 ARG A 93 22.465 22.650 19.572 1.00 1.00 H new ATOM 0 HD2 ARG A 93 21.536 20.572 17.547 1.00 1.00 H new ATOM 0 HD3 ARG A 93 23.206 21.078 17.701 1.00 1.00 H new ATOM 0 HE ARG A 93 21.974 20.220 20.243 1.00 1.00 H new ATOM 0 HH11 ARG A 93 23.704 19.364 17.316 1.00 1.00 H new ATOM 0 HH12 ARG A 93 24.417 17.903 18.007 1.00 1.00 H new ATOM 0 HH21 ARG A 93 22.895 18.341 21.125 1.00 1.00 H new ATOM 0 HH22 ARG A 93 23.962 17.328 20.147 1.00 1.00 H new ATOM 960 N ALA A 94 18.226 21.863 16.793 1.00 1.00 N ATOM 961 CA ALA A 94 17.997 21.270 15.483 1.00 1.00 C ATOM 962 C ALA A 94 18.016 22.343 14.398 1.00 1.00 C ATOM 963 O ALA A 94 18.524 22.117 13.305 1.00 1.00 O ATOM 964 CB ALA A 94 16.652 20.558 15.468 1.00 1.00 C ATOM 0 H ALA A 94 17.495 21.677 17.480 1.00 1.00 H new ATOM 0 HA ALA A 94 18.794 20.553 15.283 1.00 1.00 H new ATOM 0 HB1 ALA A 94 16.485 20.116 14.486 1.00 1.00 H new ATOM 0 HB2 ALA A 94 16.647 19.773 16.225 1.00 1.00 H new ATOM 0 HB3 ALA A 94 15.859 21.274 15.683 1.00 1.00 H new ATOM 970 N LEU A 95 17.477 23.514 14.705 1.00 1.00 N ATOM 971 CA LEU A 95 17.452 24.609 13.740 1.00 1.00 C ATOM 972 C LEU A 95 18.865 25.008 13.344 1.00 1.00 C ATOM 973 O LEU A 95 19.114 25.370 12.195 1.00 1.00 O ATOM 974 CB LEU A 95 16.705 25.814 14.352 1.00 1.00 C ATOM 975 CG LEU A 95 15.207 25.726 14.027 1.00 1.00 C ATOM 976 CD1 LEU A 95 14.673 24.334 14.382 1.00 1.00 C ATOM 977 CD2 LEU A 95 14.456 26.786 14.825 1.00 1.00 C ATOM 0 H LEU A 95 17.054 23.732 15.607 1.00 1.00 H new ATOM 0 HA LEU A 95 16.931 24.279 12.841 1.00 1.00 H new ATOM 0 HB2 LEU A 95 16.850 25.832 15.432 1.00 1.00 H new ATOM 0 HB3 LEU A 95 17.116 26.744 13.960 1.00 1.00 H new ATOM 0 HG LEU A 95 15.059 25.898 12.961 1.00 1.00 H new ATOM 0 HD11 LEU A 95 13.610 24.282 14.148 1.00 1.00 H new ATOM 0 HD12 LEU A 95 15.209 23.581 13.805 1.00 1.00 H new ATOM 0 HD13 LEU A 95 14.820 24.148 15.446 1.00 1.00 H new ATOM 0 HD21 LEU A 95 13.392 26.727 14.597 1.00 1.00 H new ATOM 0 HD22 LEU A 95 14.609 26.615 15.891 1.00 1.00 H new ATOM 0 HD23 LEU A 95 14.830 27.775 14.559 1.00 1.00 H new ATOM 989 N ARG A 96 19.778 24.954 14.298 1.00 1.00 N ATOM 990 CA ARG A 96 21.158 25.325 14.033 1.00 1.00 C ATOM 991 C ARG A 96 21.764 24.392 12.996 1.00 1.00 C ATOM 992 O ARG A 96 22.551 24.813 12.157 1.00 1.00 O ATOM 993 CB ARG A 96 21.972 25.257 15.325 1.00 1.00 C ATOM 994 CG ARG A 96 21.304 26.130 16.394 1.00 1.00 C ATOM 995 CD ARG A 96 21.216 27.583 15.905 1.00 1.00 C ATOM 996 NE ARG A 96 19.988 27.773 15.138 1.00 1.00 N ATOM 997 CZ ARG A 96 19.884 28.747 14.239 1.00 1.00 C ATOM 998 NH1 ARG A 96 20.893 29.546 14.029 1.00 1.00 N ATOM 999 NH2 ARG A 96 18.777 28.900 13.565 1.00 1.00 N ATOM 0 H ARG A 96 19.592 24.659 15.256 1.00 1.00 H new ATOM 0 HA ARG A 96 21.179 26.344 13.647 1.00 1.00 H new ATOM 0 HB2 ARG A 96 22.039 24.226 15.672 1.00 1.00 H new ATOM 0 HB3 ARG A 96 22.991 25.600 15.144 1.00 1.00 H new ATOM 0 HG2 ARG A 96 20.306 25.750 16.614 1.00 1.00 H new ATOM 0 HG3 ARG A 96 21.874 26.084 17.322 1.00 1.00 H new ATOM 0 HD2 ARG A 96 21.233 28.264 16.756 1.00 1.00 H new ATOM 0 HD3 ARG A 96 22.082 27.822 15.288 1.00 1.00 H new ATOM 0 HE ARG A 96 19.197 27.148 15.295 1.00 1.00 H new ATOM 0 HH11 ARG A 96 21.759 29.423 14.554 1.00 1.00 H new ATOM 0 HH12 ARG A 96 20.816 30.294 13.340 1.00 1.00 H new ATOM 0 HH21 ARG A 96 17.990 28.272 13.728 1.00 1.00 H new ATOM 0 HH22 ARG A 96 18.699 29.648 12.876 1.00 1.00 H new ATOM 1013 N LEU A 97 21.396 23.124 13.058 1.00 1.00 N ATOM 1014 CA LEU A 97 21.916 22.148 12.108 1.00 1.00 C ATOM 1015 C LEU A 97 21.502 22.487 10.689 1.00 1.00 C ATOM 1016 O LEU A 97 22.289 22.364 9.752 1.00 1.00 O ATOM 1017 CB LEU A 97 21.415 20.737 12.500 1.00 1.00 C ATOM 1018 CG LEU A 97 22.410 20.088 13.469 1.00 1.00 C ATOM 1019 CD1 LEU A 97 23.753 19.811 12.735 1.00 1.00 C ATOM 1020 CD2 LEU A 97 22.643 21.021 14.669 1.00 1.00 C ATOM 0 H LEU A 97 20.746 22.746 13.747 1.00 1.00 H new ATOM 0 HA LEU A 97 23.005 22.169 12.143 1.00 1.00 H new ATOM 0 HB2 LEU A 97 20.431 20.806 12.965 1.00 1.00 H new ATOM 0 HB3 LEU A 97 21.304 20.119 11.609 1.00 1.00 H new ATOM 0 HG LEU A 97 22.004 19.142 13.828 1.00 1.00 H new ATOM 0 HD11 LEU A 97 24.458 19.350 13.427 1.00 1.00 H new ATOM 0 HD12 LEU A 97 23.577 19.139 11.895 1.00 1.00 H new ATOM 0 HD13 LEU A 97 24.167 20.750 12.368 1.00 1.00 H new ATOM 0 HD21 LEU A 97 23.351 20.559 15.357 1.00 1.00 H new ATOM 0 HD22 LEU A 97 23.046 21.971 14.318 1.00 1.00 H new ATOM 0 HD23 LEU A 97 21.698 21.195 15.183 1.00 1.00 H new ATOM 1032 N LEU A 98 20.264 22.882 10.539 1.00 1.00 N ATOM 1033 CA LEU A 98 19.712 23.219 9.223 1.00 1.00 C ATOM 1034 C LEU A 98 19.768 24.723 9.015 1.00 1.00 C ATOM 1035 O LEU A 98 19.263 25.233 8.022 1.00 1.00 O ATOM 1036 CB LEU A 98 18.243 22.730 9.099 1.00 1.00 C ATOM 1037 CG LEU A 98 17.679 22.370 10.488 1.00 1.00 C ATOM 1038 CD1 LEU A 98 16.165 22.422 10.457 1.00 1.00 C ATOM 1039 CD2 LEU A 98 18.132 20.948 10.881 1.00 1.00 C ATOM 0 H LEU A 98 19.603 22.983 11.309 1.00 1.00 H new ATOM 0 HA LEU A 98 20.309 22.720 8.460 1.00 1.00 H new ATOM 0 HB2 LEU A 98 17.631 23.507 8.641 1.00 1.00 H new ATOM 0 HB3 LEU A 98 18.196 21.860 8.444 1.00 1.00 H new ATOM 0 HG LEU A 98 18.052 23.087 11.219 1.00 1.00 H new ATOM 0 HD11 LEU A 98 15.772 22.167 11.441 1.00 1.00 H new ATOM 0 HD12 LEU A 98 15.841 23.427 10.186 1.00 1.00 H new ATOM 0 HD13 LEU A 98 15.791 21.710 9.721 1.00 1.00 H new ATOM 0 HD21 LEU A 98 17.732 20.697 11.863 1.00 1.00 H new ATOM 0 HD22 LEU A 98 17.764 20.233 10.145 1.00 1.00 H new ATOM 0 HD23 LEU A 98 19.221 20.909 10.912 1.00 1.00 H new ATOM 1051 N ARG A 99 20.377 25.422 9.958 1.00 1.00 N ATOM 1052 CA ARG A 99 20.486 26.871 9.867 1.00 1.00 C ATOM 1053 C ARG A 99 19.126 27.484 9.596 1.00 1.00 C ATOM 1054 O ARG A 99 19.029 28.588 9.050 1.00 1.00 O ATOM 1055 CB ARG A 99 21.447 27.246 8.737 1.00 1.00 C ATOM 1056 CG ARG A 99 22.785 26.523 8.931 1.00 1.00 C ATOM 1057 CD ARG A 99 23.533 27.115 10.132 1.00 1.00 C ATOM 1058 NE ARG A 99 24.921 26.683 10.120 1.00 1.00 N ATOM 1059 CZ ARG A 99 25.248 25.413 10.334 1.00 1.00 C ATOM 1060 NH1 ARG A 99 24.319 24.525 10.553 1.00 1.00 N ATOM 1061 NH2 ARG A 99 26.501 25.057 10.325 1.00 1.00 N ATOM 0 H ARG A 99 20.802 25.014 10.791 1.00 1.00 H new ATOM 0 HA ARG A 99 20.867 27.254 10.814 1.00 1.00 H new ATOM 0 HB2 ARG A 99 21.014 26.976 7.774 1.00 1.00 H new ATOM 0 HB3 ARG A 99 21.605 28.324 8.724 1.00 1.00 H new ATOM 0 HG2 ARG A 99 22.613 25.458 9.088 1.00 1.00 H new ATOM 0 HG3 ARG A 99 23.393 26.618 8.031 1.00 1.00 H new ATOM 0 HD2 ARG A 99 23.483 28.203 10.101 1.00 1.00 H new ATOM 0 HD3 ARG A 99 23.054 26.800 11.059 1.00 1.00 H new ATOM 0 HE ARG A 99 25.657 27.367 9.944 1.00 1.00 H new ATOM 0 HH11 ARG A 99 23.338 24.804 10.560 1.00 1.00 H new ATOM 0 HH12 ARG A 99 24.573 23.551 10.717 1.00 1.00 H new ATOM 0 HH21 ARG A 99 27.227 25.752 10.154 1.00 1.00 H new ATOM 0 HH22 ARG A 99 26.756 24.083 10.489 1.00 1.00 H new ATOM 1075 N LEU A 100 18.071 26.763 9.977 1.00 1.00 N ATOM 1076 CA LEU A 100 16.725 27.249 9.755 1.00 1.00 C ATOM 1077 C LEU A 100 16.273 28.147 10.913 1.00 1.00 C ATOM 1078 O LEU A 100 16.252 27.711 12.061 1.00 1.00 O ATOM 1079 CB LEU A 100 15.753 26.086 9.609 1.00 1.00 C ATOM 1080 CG LEU A 100 14.433 26.582 8.976 1.00 1.00 C ATOM 1081 CD1 LEU A 100 14.581 26.691 7.446 1.00 1.00 C ATOM 1082 CD2 LEU A 100 13.309 25.599 9.303 1.00 1.00 C ATOM 0 H LEU A 100 18.129 25.853 10.434 1.00 1.00 H new ATOM 0 HA LEU A 100 16.729 27.832 8.834 1.00 1.00 H new ATOM 0 HB2 LEU A 100 16.195 25.307 8.988 1.00 1.00 H new ATOM 0 HB3 LEU A 100 15.555 25.641 10.584 1.00 1.00 H new ATOM 0 HG LEU A 100 14.197 27.565 9.383 1.00 1.00 H new ATOM 0 HD11 LEU A 100 13.644 27.041 7.014 1.00 1.00 H new ATOM 0 HD12 LEU A 100 15.377 27.396 7.207 1.00 1.00 H new ATOM 0 HD13 LEU A 100 14.827 25.713 7.034 1.00 1.00 H new ATOM 0 HD21 LEU A 100 12.378 25.949 8.857 1.00 1.00 H new ATOM 0 HD22 LEU A 100 13.557 24.616 8.902 1.00 1.00 H new ATOM 0 HD23 LEU A 100 13.189 25.530 10.384 1.00 1.00 H new ATOM 1094 N PRO A 101 15.920 29.382 10.649 1.00 1.00 N ATOM 1095 CA PRO A 101 15.486 30.336 11.712 1.00 1.00 C ATOM 1096 C PRO A 101 14.129 29.974 12.297 1.00 1.00 C ATOM 1097 O PRO A 101 13.768 30.458 13.368 1.00 1.00 O ATOM 1098 CB PRO A 101 15.441 31.692 10.985 1.00 1.00 C ATOM 1099 CG PRO A 101 15.233 31.358 9.543 1.00 1.00 C ATOM 1100 CD PRO A 101 15.890 30.009 9.315 1.00 1.00 C ATOM 0 HA PRO A 101 16.161 30.332 12.568 1.00 1.00 H new ATOM 0 HB2 PRO A 101 14.632 32.316 11.365 1.00 1.00 H new ATOM 0 HB3 PRO A 101 16.367 32.248 11.131 1.00 1.00 H new ATOM 0 HG2 PRO A 101 14.170 31.318 9.303 1.00 1.00 H new ATOM 0 HG3 PRO A 101 15.676 32.119 8.901 1.00 1.00 H new ATOM 0 HD2 PRO A 101 15.323 29.406 8.606 1.00 1.00 H new ATOM 0 HD3 PRO A 101 16.894 30.121 8.906 1.00 1.00 H new ATOM 1108 N GLN A 102 13.382 29.134 11.586 1.00 1.00 N ATOM 1109 CA GLN A 102 12.059 28.730 12.041 1.00 1.00 C ATOM 1110 C GLN A 102 11.393 27.833 11.009 1.00 1.00 C ATOM 1111 O GLN A 102 11.688 27.916 9.813 1.00 1.00 O ATOM 1112 CB GLN A 102 11.179 29.963 12.270 1.00 1.00 C ATOM 1113 CG GLN A 102 11.284 30.899 11.062 1.00 1.00 C ATOM 1114 CD GLN A 102 10.357 32.092 11.247 1.00 1.00 C ATOM 1115 OE1 GLN A 102 10.613 32.955 12.089 1.00 1.00 O ATOM 1116 NE2 GLN A 102 9.283 32.189 10.514 1.00 1.00 N ATOM 0 H GLN A 102 13.670 28.723 10.698 1.00 1.00 H new ATOM 0 HA GLN A 102 12.174 28.183 12.976 1.00 1.00 H new ATOM 0 HB2 GLN A 102 10.143 29.660 12.420 1.00 1.00 H new ATOM 0 HB3 GLN A 102 11.493 30.484 13.175 1.00 1.00 H new ATOM 0 HG2 GLN A 102 12.312 31.241 10.945 1.00 1.00 H new ATOM 0 HG3 GLN A 102 11.021 30.361 10.151 1.00 1.00 H new ATOM 0 HE21 GLN A 102 9.074 31.473 9.818 1.00 1.00 H new ATOM 0 HE22 GLN A 102 8.652 32.981 10.636 1.00 1.00 H new ATOM 1125 N LEU A 103 10.494 26.965 11.479 1.00 1.00 N ATOM 1126 CA LEU A 103 9.802 26.052 10.586 1.00 1.00 C ATOM 1127 C LEU A 103 8.552 26.709 9.992 1.00 1.00 C ATOM 1128 O LEU A 103 7.833 27.425 10.690 1.00 1.00 O ATOM 1129 CB LEU A 103 9.384 24.780 11.320 1.00 1.00 C ATOM 1130 CG LEU A 103 10.634 24.111 11.902 1.00 1.00 C ATOM 1131 CD1 LEU A 103 11.152 24.906 13.120 1.00 1.00 C ATOM 1132 CD2 LEU A 103 10.294 22.677 12.323 1.00 1.00 C ATOM 0 H LEU A 103 10.235 26.880 12.462 1.00 1.00 H new ATOM 0 HA LEU A 103 10.496 25.798 9.785 1.00 1.00 H new ATOM 0 HB2 LEU A 103 8.678 25.018 12.116 1.00 1.00 H new ATOM 0 HB3 LEU A 103 8.876 24.100 10.637 1.00 1.00 H new ATOM 0 HG LEU A 103 11.415 24.093 11.142 1.00 1.00 H new ATOM 0 HD11 LEU A 103 12.040 24.418 13.522 1.00 1.00 H new ATOM 0 HD12 LEU A 103 11.404 25.921 12.812 1.00 1.00 H new ATOM 0 HD13 LEU A 103 10.379 24.941 13.887 1.00 1.00 H new ATOM 0 HD21 LEU A 103 11.182 22.199 12.737 1.00 1.00 H new ATOM 0 HD22 LEU A 103 9.507 22.696 13.077 1.00 1.00 H new ATOM 0 HD23 LEU A 103 9.951 22.114 11.455 1.00 1.00 H new ATOM 1144 N PRO A 104 8.272 26.473 8.732 1.00 1.00 N ATOM 1145 CA PRO A 104 7.072 27.045 8.060 1.00 1.00 C ATOM 1146 C PRO A 104 5.777 26.381 8.538 1.00 1.00 C ATOM 1147 O PRO A 104 5.805 25.308 9.143 1.00 1.00 O ATOM 1148 CB PRO A 104 7.325 26.766 6.565 1.00 1.00 C ATOM 1149 CG PRO A 104 8.247 25.591 6.532 1.00 1.00 C ATOM 1150 CD PRO A 104 9.071 25.649 7.811 1.00 1.00 C ATOM 0 HA PRO A 104 6.940 28.105 8.279 1.00 1.00 H new ATOM 0 HB2 PRO A 104 6.393 26.549 6.042 1.00 1.00 H new ATOM 0 HB3 PRO A 104 7.772 27.630 6.074 1.00 1.00 H new ATOM 0 HG2 PRO A 104 7.685 24.659 6.475 1.00 1.00 H new ATOM 0 HG3 PRO A 104 8.891 25.629 5.654 1.00 1.00 H new ATOM 0 HD2 PRO A 104 9.242 24.652 8.218 1.00 1.00 H new ATOM 0 HD3 PRO A 104 10.051 26.092 7.631 1.00 1.00 H new ATOM 1158 N PRO A 105 4.652 26.993 8.267 1.00 1.00 N ATOM 1159 CA PRO A 105 3.327 26.449 8.668 1.00 1.00 C ATOM 1160 C PRO A 105 3.241 24.936 8.472 1.00 1.00 C ATOM 1161 O PRO A 105 3.659 24.405 7.443 1.00 1.00 O ATOM 1162 CB PRO A 105 2.350 27.176 7.731 1.00 1.00 C ATOM 1163 CG PRO A 105 3.012 28.482 7.389 1.00 1.00 C ATOM 1164 CD PRO A 105 4.525 28.281 7.563 1.00 1.00 C ATOM 0 HA PRO A 105 3.118 26.608 9.726 1.00 1.00 H new ATOM 0 HB2 PRO A 105 2.157 26.588 6.834 1.00 1.00 H new ATOM 0 HB3 PRO A 105 1.389 27.340 8.218 1.00 1.00 H new ATOM 0 HG2 PRO A 105 2.778 28.776 6.366 1.00 1.00 H new ATOM 0 HG3 PRO A 105 2.652 29.278 8.040 1.00 1.00 H new ATOM 0 HD2 PRO A 105 5.035 28.258 6.600 1.00 1.00 H new ATOM 0 HD3 PRO A 105 4.969 29.093 8.139 1.00 1.00 H new ATOM 1172 N GLY A 106 2.698 24.250 9.471 1.00 1.00 N ATOM 1173 CA GLY A 106 2.560 22.801 9.404 1.00 1.00 C ATOM 1174 C GLY A 106 3.869 22.133 9.758 1.00 1.00 C ATOM 1175 O GLY A 106 3.962 21.499 10.806 1.00 1.00 O ATOM 0 H GLY A 106 2.348 24.671 10.332 1.00 1.00 H new ATOM 0 HA2 GLY A 106 1.779 22.471 10.089 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.252 22.504 8.402 1.00 1.00 H new ATOM 1179 N ALA A 107 4.870 22.266 8.870 1.00 1.00 N ATOM 1180 CA ALA A 107 6.190 21.666 9.084 1.00 1.00 C ATOM 1181 C ALA A 107 6.502 21.550 10.573 1.00 1.00 C ATOM 1182 O ALA A 107 6.025 22.345 11.381 1.00 1.00 O ATOM 1183 CB ALA A 107 7.255 22.514 8.406 1.00 1.00 C ATOM 0 H ALA A 107 4.785 22.786 7.997 1.00 1.00 H new ATOM 0 HA ALA A 107 6.185 20.665 8.652 1.00 1.00 H new ATOM 0 HB1 ALA A 107 8.235 22.065 8.567 1.00 1.00 H new ATOM 0 HB2 ALA A 107 7.052 22.567 7.336 1.00 1.00 H new ATOM 0 HB3 ALA A 107 7.243 23.519 8.828 1.00 1.00 H new ATOM 1189 N GLN A 108 7.293 20.557 10.933 1.00 1.00 N ATOM 1190 CA GLN A 108 7.622 20.346 12.336 1.00 1.00 C ATOM 1191 C GLN A 108 8.839 19.449 12.464 1.00 1.00 C ATOM 1192 O GLN A 108 9.120 18.640 11.580 1.00 1.00 O ATOM 1193 CB GLN A 108 6.426 19.701 13.062 1.00 1.00 C ATOM 1194 CG GLN A 108 5.773 18.645 12.160 1.00 1.00 C ATOM 1195 CD GLN A 108 4.483 18.144 12.788 1.00 1.00 C ATOM 1196 OE1 GLN A 108 4.326 18.190 14.008 1.00 1.00 O ATOM 1197 NE2 GLN A 108 3.543 17.666 12.022 1.00 1.00 N ATOM 0 H GLN A 108 7.716 19.891 10.287 1.00 1.00 H new ATOM 0 HA GLN A 108 7.845 21.311 12.791 1.00 1.00 H new ATOM 0 HB2 GLN A 108 6.760 19.241 13.992 1.00 1.00 H new ATOM 0 HB3 GLN A 108 5.696 20.466 13.328 1.00 1.00 H new ATOM 0 HG2 GLN A 108 5.566 19.072 11.179 1.00 1.00 H new ATOM 0 HG3 GLN A 108 6.459 17.812 12.007 1.00 1.00 H new ATOM 0 HE21 GLN A 108 3.678 17.630 11.012 1.00 1.00 H new ATOM 0 HE22 GLN A 108 2.673 17.328 12.433 1.00 1.00 H new ATOM 1206 N LEU A 109 9.563 19.595 13.562 1.00 1.00 N ATOM 1207 CA LEU A 109 10.752 18.787 13.781 1.00 1.00 C ATOM 1208 C LEU A 109 10.394 17.459 14.408 1.00 1.00 C ATOM 1209 O LEU A 109 9.978 17.413 15.554 1.00 1.00 O ATOM 1210 CB LEU A 109 11.722 19.552 14.708 1.00 1.00 C ATOM 1211 CG LEU A 109 12.921 20.102 13.911 1.00 1.00 C ATOM 1212 CD1 LEU A 109 13.452 21.363 14.559 1.00 1.00 C ATOM 1213 CD2 LEU A 109 14.025 19.033 13.879 1.00 1.00 C ATOM 0 H LEU A 109 9.352 20.258 14.308 1.00 1.00 H new ATOM 0 HA LEU A 109 11.227 18.595 12.819 1.00 1.00 H new ATOM 0 HB2 LEU A 109 11.196 20.373 15.195 1.00 1.00 H new ATOM 0 HB3 LEU A 109 12.077 18.889 15.497 1.00 1.00 H new ATOM 0 HG LEU A 109 12.602 20.343 12.897 1.00 1.00 H new ATOM 0 HD11 LEU A 109 14.298 21.739 13.984 1.00 1.00 H new ATOM 0 HD12 LEU A 109 12.666 22.118 14.584 1.00 1.00 H new ATOM 0 HD13 LEU A 109 13.774 21.141 15.576 1.00 1.00 H new ATOM 0 HD21 LEU A 109 14.880 19.410 13.318 1.00 1.00 H new ATOM 0 HD22 LEU A 109 14.334 18.799 14.898 1.00 1.00 H new ATOM 0 HD23 LEU A 109 13.645 18.131 13.399 1.00 1.00 H new ATOM 1225 N VAL A 110 10.581 16.379 13.650 1.00 1.00 N ATOM 1226 CA VAL A 110 10.268 15.047 14.140 1.00 1.00 C ATOM 1227 C VAL A 110 11.551 14.314 14.488 1.00 1.00 C ATOM 1228 O VAL A 110 12.647 14.812 14.241 1.00 1.00 O ATOM 1229 CB VAL A 110 9.531 14.260 13.052 1.00 1.00 C ATOM 1230 CG1 VAL A 110 8.338 15.067 12.543 1.00 1.00 C ATOM 1231 CG2 VAL A 110 10.479 13.971 11.884 1.00 1.00 C ATOM 0 H VAL A 110 10.947 16.405 12.698 1.00 1.00 H new ATOM 0 HA VAL A 110 9.640 15.134 15.027 1.00 1.00 H new ATOM 0 HB VAL A 110 9.179 13.320 13.477 1.00 1.00 H new ATOM 0 HG11 VAL A 110 7.819 14.501 11.770 1.00 1.00 H new ATOM 0 HG12 VAL A 110 7.654 15.265 13.368 1.00 1.00 H new ATOM 0 HG13 VAL A 110 8.688 16.012 12.127 1.00 1.00 H new ATOM 0 HG21 VAL A 110 9.948 13.411 11.114 1.00 1.00 H new ATOM 0 HG22 VAL A 110 10.838 14.911 11.466 1.00 1.00 H new ATOM 0 HG23 VAL A 110 11.326 13.385 12.240 1.00 1.00 H new ATOM 1241 N LYS A 111 11.407 13.142 15.091 1.00 1.00 N ATOM 1242 CA LYS A 111 12.568 12.344 15.491 1.00 1.00 C ATOM 1243 C LYS A 111 12.800 11.203 14.509 1.00 1.00 C ATOM 1244 O LYS A 111 12.136 11.115 13.477 1.00 1.00 O ATOM 1245 CB LYS A 111 12.349 11.780 16.910 1.00 1.00 C ATOM 1246 CG LYS A 111 12.844 12.785 17.960 1.00 1.00 C ATOM 1247 CD LYS A 111 12.764 12.149 19.347 1.00 1.00 C ATOM 1248 CE LYS A 111 11.310 11.783 19.669 1.00 1.00 C ATOM 1249 NZ LYS A 111 11.018 10.421 19.136 1.00 1.00 N ATOM 0 H LYS A 111 10.505 12.721 15.315 1.00 1.00 H new ATOM 0 HA LYS A 111 13.449 12.986 15.489 1.00 1.00 H new ATOM 0 HB2 LYS A 111 11.291 11.570 17.067 1.00 1.00 H new ATOM 0 HB3 LYS A 111 12.881 10.835 17.020 1.00 1.00 H new ATOM 0 HG2 LYS A 111 13.870 13.080 17.742 1.00 1.00 H new ATOM 0 HG3 LYS A 111 12.238 13.690 17.927 1.00 1.00 H new ATOM 0 HD2 LYS A 111 13.390 11.257 19.385 1.00 1.00 H new ATOM 0 HD3 LYS A 111 13.149 12.840 20.097 1.00 1.00 H new ATOM 0 HE2 LYS A 111 11.146 11.808 20.746 1.00 1.00 H new ATOM 0 HE3 LYS A 111 10.632 12.513 19.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 10.435 10.501 18.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 11.911 9.940 18.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 10.505 9.870 19.853 1.00 1.00 H new ATOM 1263 N SER A 112 13.749 10.338 14.845 1.00 1.00 N ATOM 1264 CA SER A 112 14.067 9.198 13.998 1.00 1.00 C ATOM 1265 C SER A 112 12.879 8.253 13.894 1.00 1.00 C ATOM 1266 O SER A 112 12.632 7.668 12.840 1.00 1.00 O ATOM 1267 CB SER A 112 15.276 8.450 14.551 1.00 1.00 C ATOM 1268 OG SER A 112 16.341 9.368 14.763 1.00 1.00 O ATOM 0 H SER A 112 14.309 10.405 15.695 1.00 1.00 H new ATOM 0 HA SER A 112 14.302 9.571 13.001 1.00 1.00 H new ATOM 0 HB2 SER A 112 15.015 7.956 15.487 1.00 1.00 H new ATOM 0 HB3 SER A 112 15.586 7.671 13.854 1.00 1.00 H new ATOM 0 HG SER A 112 16.045 10.272 14.527 1.00 1.00 H new ATOM 1274 N ALA A 113 12.153 8.104 14.995 1.00 1.00 N ATOM 1275 CA ALA A 113 11.000 7.216 15.018 1.00 1.00 C ATOM 1276 C ALA A 113 10.023 7.581 13.907 1.00 1.00 C ATOM 1277 O ALA A 113 9.397 6.712 13.313 1.00 1.00 O ATOM 1278 CB ALA A 113 10.291 7.317 16.369 1.00 1.00 C ATOM 0 H ALA A 113 12.341 8.582 15.876 1.00 1.00 H new ATOM 0 HA ALA A 113 11.349 6.195 14.863 1.00 1.00 H new ATOM 0 HB1 ALA A 113 9.429 6.650 16.378 1.00 1.00 H new ATOM 0 HB2 ALA A 113 10.980 7.031 17.164 1.00 1.00 H new ATOM 0 HB3 ALA A 113 9.958 8.342 16.529 1.00 1.00 H new ATOM 1284 N TRP A 114 9.893 8.870 13.633 1.00 1.00 N ATOM 1285 CA TRP A 114 8.987 9.325 12.587 1.00 1.00 C ATOM 1286 C TRP A 114 9.502 8.911 11.218 1.00 1.00 C ATOM 1287 O TRP A 114 8.742 8.446 10.372 1.00 1.00 O ATOM 1288 CB TRP A 114 8.844 10.841 12.651 1.00 1.00 C ATOM 1289 CG TRP A 114 7.875 11.303 11.609 1.00 1.00 C ATOM 1290 CD1 TRP A 114 6.540 11.444 11.793 1.00 1.00 C ATOM 1291 CD2 TRP A 114 8.137 11.683 10.226 1.00 1.00 C ATOM 1292 NE1 TRP A 114 5.975 11.894 10.615 1.00 1.00 N ATOM 1293 CE2 TRP A 114 6.914 12.051 9.621 1.00 1.00 C ATOM 1294 CE3 TRP A 114 9.303 11.744 9.448 1.00 1.00 C ATOM 1295 CZ2 TRP A 114 6.849 12.464 8.291 1.00 1.00 C ATOM 1296 CZ3 TRP A 114 9.243 12.161 8.110 1.00 1.00 C ATOM 1297 CH2 TRP A 114 8.016 12.519 7.534 1.00 1.00 C ATOM 0 H TRP A 114 10.398 9.614 14.115 1.00 1.00 H new ATOM 0 HA TRP A 114 8.012 8.864 12.745 1.00 1.00 H new ATOM 0 HB2 TRP A 114 8.499 11.141 13.640 1.00 1.00 H new ATOM 0 HB3 TRP A 114 9.814 11.314 12.494 1.00 1.00 H new ATOM 0 HD1 TRP A 114 6.006 11.239 12.709 1.00 1.00 H new ATOM 0 HE1 TRP A 114 4.980 12.087 10.496 1.00 1.00 H new ATOM 0 HE3 TRP A 114 10.253 11.468 9.882 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 5.901 12.739 7.852 1.00 1.00 H new ATOM 0 HZ3 TRP A 114 10.147 12.207 7.520 1.00 1.00 H new ATOM 0 HH2 TRP A 114 7.976 12.838 6.503 1.00 1.00 H new ATOM 1308 N LEU A 115 10.795 9.100 10.994 1.00 1.00 N ATOM 1309 CA LEU A 115 11.380 8.754 9.714 1.00 1.00 C ATOM 1310 C LEU A 115 11.356 7.246 9.491 1.00 1.00 C ATOM 1311 O LEU A 115 10.783 6.756 8.518 1.00 1.00 O ATOM 1312 CB LEU A 115 12.835 9.253 9.651 1.00 1.00 C ATOM 1313 CG LEU A 115 13.230 9.557 8.194 1.00 1.00 C ATOM 1314 CD1 LEU A 115 12.912 8.342 7.301 1.00 1.00 C ATOM 1315 CD2 LEU A 115 12.463 10.802 7.682 1.00 1.00 C ATOM 0 H LEU A 115 11.449 9.486 11.675 1.00 1.00 H new ATOM 0 HA LEU A 115 10.790 9.233 8.933 1.00 1.00 H new ATOM 0 HB2 LEU A 115 12.946 10.150 10.260 1.00 1.00 H new ATOM 0 HB3 LEU A 115 13.504 8.500 10.067 1.00 1.00 H new ATOM 0 HG LEU A 115 14.300 9.761 8.154 1.00 1.00 H new ATOM 0 HD11 LEU A 115 13.194 8.563 6.272 1.00 1.00 H new ATOM 0 HD12 LEU A 115 13.472 7.476 7.652 1.00 1.00 H new ATOM 0 HD13 LEU A 115 11.845 8.126 7.347 1.00 1.00 H new ATOM 0 HD21 LEU A 115 12.750 11.008 6.651 1.00 1.00 H new ATOM 0 HD22 LEU A 115 11.390 10.613 7.729 1.00 1.00 H new ATOM 0 HD23 LEU A 115 12.708 11.662 8.305 1.00 1.00 H new ATOM 1327 N SER A 116 12.002 6.520 10.393 1.00 1.00 N ATOM 1328 CA SER A 116 12.073 5.070 10.278 1.00 1.00 C ATOM 1329 C SER A 116 10.707 4.492 9.931 1.00 1.00 C ATOM 1330 O SER A 116 10.549 3.820 8.912 1.00 1.00 O ATOM 1331 CB SER A 116 12.559 4.465 11.597 1.00 1.00 C ATOM 1332 OG SER A 116 13.578 5.289 12.144 1.00 1.00 O ATOM 0 H SER A 116 12.481 6.907 11.206 1.00 1.00 H new ATOM 0 HA SER A 116 12.775 4.823 9.481 1.00 1.00 H new ATOM 0 HB2 SER A 116 11.729 4.379 12.299 1.00 1.00 H new ATOM 0 HB3 SER A 116 12.941 3.458 11.430 1.00 1.00 H new ATOM 0 HG SER A 116 13.174 5.969 12.722 1.00 1.00 H new ATOM 1338 N LEU A 117 9.722 4.758 10.783 1.00 1.00 N ATOM 1339 CA LEU A 117 8.382 4.244 10.550 1.00 1.00 C ATOM 1340 C LEU A 117 7.834 4.756 9.228 1.00 1.00 C ATOM 1341 O LEU A 117 7.417 3.974 8.390 1.00 1.00 O ATOM 1342 CB LEU A 117 7.454 4.693 11.694 1.00 1.00 C ATOM 1343 CG LEU A 117 7.532 3.694 12.853 1.00 1.00 C ATOM 1344 CD1 LEU A 117 8.999 3.471 13.252 1.00 1.00 C ATOM 1345 CD2 LEU A 117 6.748 4.243 14.049 1.00 1.00 C ATOM 0 H LEU A 117 9.826 5.319 11.629 1.00 1.00 H new ATOM 0 HA LEU A 117 8.428 3.156 10.513 1.00 1.00 H new ATOM 0 HB2 LEU A 117 7.742 5.686 12.039 1.00 1.00 H new ATOM 0 HB3 LEU A 117 6.428 4.766 11.334 1.00 1.00 H new ATOM 0 HG LEU A 117 7.101 2.743 12.541 1.00 1.00 H new ATOM 0 HD11 LEU A 117 9.048 2.760 14.077 1.00 1.00 H new ATOM 0 HD12 LEU A 117 9.552 3.077 12.399 1.00 1.00 H new ATOM 0 HD13 LEU A 117 9.439 4.418 13.563 1.00 1.00 H new ATOM 0 HD21 LEU A 117 6.802 3.534 14.875 1.00 1.00 H new ATOM 0 HD22 LEU A 117 7.178 5.196 14.359 1.00 1.00 H new ATOM 0 HD23 LEU A 117 5.706 4.390 13.764 1.00 1.00 H new ATOM 1357 N CYS A 118 7.858 6.063 9.039 1.00 1.00 N ATOM 1358 CA CYS A 118 7.353 6.648 7.806 1.00 1.00 C ATOM 1359 C CYS A 118 8.047 6.038 6.598 1.00 1.00 C ATOM 1360 O CYS A 118 7.461 5.934 5.524 1.00 1.00 O ATOM 1361 CB CYS A 118 7.572 8.161 7.818 1.00 1.00 C ATOM 1362 SG CYS A 118 6.807 8.897 6.354 1.00 1.00 S ATOM 0 H CYS A 118 8.218 6.736 9.716 1.00 1.00 H new ATOM 0 HA CYS A 118 6.286 6.438 7.737 1.00 1.00 H new ATOM 0 HB2 CYS A 118 7.142 8.594 8.721 1.00 1.00 H new ATOM 0 HB3 CYS A 118 8.639 8.384 7.834 1.00 1.00 H new ATOM 0 HG CYS A 118 5.552 8.560 6.304 1.00 1.00 H new ATOM 1368 N LEU A 119 9.300 5.648 6.776 1.00 1.00 N ATOM 1369 CA LEU A 119 10.060 5.059 5.688 1.00 1.00 C ATOM 1370 C LEU A 119 9.521 3.686 5.296 1.00 1.00 C ATOM 1371 O LEU A 119 9.195 3.440 4.134 1.00 1.00 O ATOM 1372 CB LEU A 119 11.529 4.924 6.099 1.00 1.00 C ATOM 1373 CG LEU A 119 12.403 4.753 4.848 1.00 1.00 C ATOM 1374 CD1 LEU A 119 12.451 6.072 4.044 1.00 1.00 C ATOM 1375 CD2 LEU A 119 13.822 4.353 5.270 1.00 1.00 C ATOM 0 H LEU A 119 9.808 5.728 7.657 1.00 1.00 H new ATOM 0 HA LEU A 119 9.966 5.719 4.826 1.00 1.00 H new ATOM 0 HB2 LEU A 119 11.843 5.807 6.656 1.00 1.00 H new ATOM 0 HB3 LEU A 119 11.654 4.068 6.762 1.00 1.00 H new ATOM 0 HG LEU A 119 11.974 3.974 4.218 1.00 1.00 H new ATOM 0 HD11 LEU A 119 13.074 5.937 3.160 1.00 1.00 H new ATOM 0 HD12 LEU A 119 11.442 6.349 3.738 1.00 1.00 H new ATOM 0 HD13 LEU A 119 12.871 6.862 4.666 1.00 1.00 H new ATOM 0 HD21 LEU A 119 14.444 4.231 4.384 1.00 1.00 H new ATOM 0 HD22 LEU A 119 14.245 5.130 5.906 1.00 1.00 H new ATOM 0 HD23 LEU A 119 13.786 3.413 5.821 1.00 1.00 H new ATOM 1387 N GLN A 120 9.439 2.797 6.274 1.00 1.00 N ATOM 1388 CA GLN A 120 8.955 1.445 6.029 1.00 1.00 C ATOM 1389 C GLN A 120 7.439 1.424 5.898 1.00 1.00 C ATOM 1390 O GLN A 120 6.891 0.695 5.072 1.00 1.00 O ATOM 1391 CB GLN A 120 9.380 0.521 7.174 1.00 1.00 C ATOM 1392 CG GLN A 120 8.745 1.002 8.477 1.00 1.00 C ATOM 1393 CD GLN A 120 9.372 0.281 9.665 1.00 1.00 C ATOM 1394 OE1 GLN A 120 8.943 -0.815 10.026 1.00 1.00 O ATOM 1395 NE2 GLN A 120 10.370 0.834 10.299 1.00 1.00 N ATOM 0 H GLN A 120 9.700 2.985 7.242 1.00 1.00 H new ATOM 0 HA GLN A 120 9.391 1.094 5.093 1.00 1.00 H new ATOM 0 HB2 GLN A 120 9.072 -0.503 6.963 1.00 1.00 H new ATOM 0 HB3 GLN A 120 10.466 0.515 7.267 1.00 1.00 H new ATOM 0 HG2 GLN A 120 8.882 2.078 8.582 1.00 1.00 H new ATOM 0 HG3 GLN A 120 7.671 0.818 8.456 1.00 1.00 H new ATOM 0 HE21 GLN A 120 10.725 1.742 9.999 1.00 1.00 H new ATOM 0 HE22 GLN A 120 10.795 0.358 11.095 1.00 1.00 H new ATOM 1404 N GLU A 121 6.768 2.223 6.724 1.00 1.00 N ATOM 1405 CA GLU A 121 5.312 2.266 6.703 1.00 1.00 C ATOM 1406 C GLU A 121 4.813 2.531 5.304 1.00 1.00 C ATOM 1407 O GLU A 121 3.923 1.830 4.835 1.00 1.00 O ATOM 1408 CB GLU A 121 4.806 3.364 7.640 1.00 1.00 C ATOM 1409 CG GLU A 121 4.951 2.902 9.094 1.00 1.00 C ATOM 1410 CD GLU A 121 3.893 1.852 9.406 1.00 1.00 C ATOM 1411 OE1 GLU A 121 2.894 1.819 8.707 1.00 1.00 O ATOM 1412 OE2 GLU A 121 4.095 1.098 10.342 1.00 1.00 O ATOM 0 H GLU A 121 7.204 2.842 7.408 1.00 1.00 H new ATOM 0 HA GLU A 121 4.934 1.300 7.039 1.00 1.00 H new ATOM 0 HB2 GLU A 121 5.372 4.282 7.481 1.00 1.00 H new ATOM 0 HB3 GLU A 121 3.762 3.591 7.422 1.00 1.00 H new ATOM 0 HG2 GLU A 121 5.946 2.489 9.257 1.00 1.00 H new ATOM 0 HG3 GLU A 121 4.844 3.752 9.768 1.00 1.00 H new ATOM 1419 N ARG A 122 5.387 3.539 4.645 1.00 1.00 N ATOM 1420 CA ARG A 122 4.995 3.890 3.280 1.00 1.00 C ATOM 1421 C ARG A 122 3.813 4.850 3.277 1.00 1.00 C ATOM 1422 O ARG A 122 3.025 4.878 2.331 1.00 1.00 O ATOM 1423 CB ARG A 122 4.631 2.618 2.485 1.00 1.00 C ATOM 1424 CG ARG A 122 4.899 2.832 0.991 1.00 1.00 C ATOM 1425 CD ARG A 122 6.344 2.451 0.677 1.00 1.00 C ATOM 1426 NE ARG A 122 6.671 2.832 -0.687 1.00 1.00 N ATOM 1427 CZ ARG A 122 7.860 2.563 -1.209 1.00 1.00 C ATOM 1428 NH1 ARG A 122 8.761 1.948 -0.494 1.00 1.00 N ATOM 1429 NH2 ARG A 122 8.129 2.921 -2.433 1.00 1.00 N ATOM 0 H ARG A 122 6.124 4.126 5.035 1.00 1.00 H new ATOM 0 HA ARG A 122 5.843 4.384 2.806 1.00 1.00 H new ATOM 0 HB2 ARG A 122 5.215 1.773 2.849 1.00 1.00 H new ATOM 0 HB3 ARG A 122 3.581 2.371 2.642 1.00 1.00 H new ATOM 0 HG2 ARG A 122 4.214 2.227 0.397 1.00 1.00 H new ATOM 0 HG3 ARG A 122 4.719 3.873 0.723 1.00 1.00 H new ATOM 0 HD2 ARG A 122 7.020 2.947 1.374 1.00 1.00 H new ATOM 0 HD3 ARG A 122 6.483 1.378 0.807 1.00 1.00 H new ATOM 0 HE ARG A 122 5.973 3.315 -1.253 1.00 1.00 H new ATOM 0 HH11 ARG A 122 8.551 1.674 0.466 1.00 1.00 H new ATOM 0 HH12 ARG A 122 9.676 1.741 -0.895 1.00 1.00 H new ATOM 0 HH21 ARG A 122 7.425 3.408 -2.988 1.00 1.00 H new ATOM 0 HH22 ARG A 122 9.043 2.715 -2.835 1.00 1.00 H new ATOM 1443 N ARG A 123 3.689 5.628 4.340 1.00 1.00 N ATOM 1444 CA ARG A 123 2.584 6.578 4.449 1.00 1.00 C ATOM 1445 C ARG A 123 2.918 7.668 5.455 1.00 1.00 C ATOM 1446 O ARG A 123 4.046 7.756 5.937 1.00 1.00 O ATOM 1447 CB ARG A 123 1.302 5.848 4.876 1.00 1.00 C ATOM 1448 CG ARG A 123 1.627 4.833 5.982 1.00 1.00 C ATOM 1449 CD ARG A 123 2.106 5.565 7.246 1.00 1.00 C ATOM 1450 NE ARG A 123 1.888 4.736 8.417 1.00 1.00 N ATOM 1451 CZ ARG A 123 0.662 4.500 8.868 1.00 1.00 C ATOM 1452 NH1 ARG A 123 -0.372 5.010 8.252 1.00 1.00 N ATOM 1453 NH2 ARG A 123 0.490 3.758 9.925 1.00 1.00 N ATOM 0 H ARG A 123 4.330 5.625 5.134 1.00 1.00 H new ATOM 0 HA ARG A 123 2.425 7.038 3.474 1.00 1.00 H new ATOM 0 HB2 ARG A 123 0.565 6.567 5.234 1.00 1.00 H new ATOM 0 HB3 ARG A 123 0.860 5.338 4.020 1.00 1.00 H new ATOM 0 HG2 ARG A 123 0.744 4.237 6.210 1.00 1.00 H new ATOM 0 HG3 ARG A 123 2.397 4.143 5.638 1.00 1.00 H new ATOM 0 HD2 ARG A 123 3.165 5.808 7.155 1.00 1.00 H new ATOM 0 HD3 ARG A 123 1.570 6.508 7.354 1.00 1.00 H new ATOM 0 HE ARG A 123 2.688 4.329 8.901 1.00 1.00 H new ATOM 0 HH11 ARG A 123 -0.237 5.590 7.424 1.00 1.00 H new ATOM 0 HH12 ARG A 123 -1.314 4.828 8.599 1.00 1.00 H new ATOM 0 HH21 ARG A 123 1.297 3.359 10.405 1.00 1.00 H new ATOM 0 HH22 ARG A 123 -0.452 3.576 10.273 1.00 1.00 H new ATOM 1467 N LEU A 124 1.930 8.493 5.776 1.00 1.00 N ATOM 1468 CA LEU A 124 2.130 9.573 6.735 1.00 1.00 C ATOM 1469 C LEU A 124 1.779 9.106 8.144 1.00 1.00 C ATOM 1470 O LEU A 124 0.757 8.454 8.352 1.00 1.00 O ATOM 1471 CB LEU A 124 1.248 10.763 6.368 1.00 1.00 C ATOM 1472 CG LEU A 124 1.730 12.018 7.132 1.00 1.00 C ATOM 1473 CD1 LEU A 124 2.788 12.748 6.301 1.00 1.00 C ATOM 1474 CD2 LEU A 124 0.546 12.956 7.382 1.00 1.00 C ATOM 0 H LEU A 124 0.988 8.437 5.390 1.00 1.00 H new ATOM 0 HA LEU A 124 3.179 9.869 6.707 1.00 1.00 H new ATOM 0 HB2 LEU A 124 1.288 10.941 5.293 1.00 1.00 H new ATOM 0 HB3 LEU A 124 0.209 10.549 6.617 1.00 1.00 H new ATOM 0 HG LEU A 124 2.160 11.714 8.086 1.00 1.00 H new ATOM 0 HD11 LEU A 124 3.127 13.633 6.840 1.00 1.00 H new ATOM 0 HD12 LEU A 124 3.634 12.084 6.124 1.00 1.00 H new ATOM 0 HD13 LEU A 124 2.357 13.048 5.346 1.00 1.00 H new ATOM 0 HD21 LEU A 124 0.889 13.839 7.921 1.00 1.00 H new ATOM 0 HD22 LEU A 124 0.113 13.258 6.428 1.00 1.00 H new ATOM 0 HD23 LEU A 124 -0.208 12.439 7.975 1.00 1.00 H new ATOM 1486 N VAL A 125 2.630 9.450 9.108 1.00 1.00 N ATOM 1487 CA VAL A 125 2.414 9.067 10.508 1.00 1.00 C ATOM 1488 C VAL A 125 2.315 10.309 11.388 1.00 1.00 C ATOM 1489 O VAL A 125 2.839 11.369 11.048 1.00 1.00 O ATOM 1490 CB VAL A 125 3.562 8.171 10.991 1.00 1.00 C ATOM 1491 CG1 VAL A 125 3.330 6.735 10.516 1.00 1.00 C ATOM 1492 CG2 VAL A 125 4.878 8.685 10.412 1.00 1.00 C ATOM 0 H VAL A 125 3.478 9.994 8.948 1.00 1.00 H new ATOM 0 HA VAL A 125 1.478 8.513 10.578 1.00 1.00 H new ATOM 0 HB VAL A 125 3.603 8.190 12.080 1.00 1.00 H new ATOM 0 HG11 VAL A 125 4.147 6.101 10.861 1.00 1.00 H new ATOM 0 HG12 VAL A 125 2.388 6.365 10.921 1.00 1.00 H new ATOM 0 HG13 VAL A 125 3.289 6.714 9.427 1.00 1.00 H new ATOM 0 HG21 VAL A 125 5.697 8.052 10.752 1.00 1.00 H new ATOM 0 HG22 VAL A 125 4.830 8.662 9.323 1.00 1.00 H new ATOM 0 HG23 VAL A 125 5.048 9.708 10.747 1.00 1.00 H new ATOM 1502 N ASP A 126 1.625 10.166 12.511 1.00 1.00 N ATOM 1503 CA ASP A 126 1.442 11.280 13.432 1.00 1.00 C ATOM 1504 C ASP A 126 2.788 11.756 13.961 1.00 1.00 C ATOM 1505 O ASP A 126 3.706 10.959 14.142 1.00 1.00 O ATOM 1506 CB ASP A 126 0.562 10.847 14.607 1.00 1.00 C ATOM 1507 CG ASP A 126 1.243 9.725 15.386 1.00 1.00 C ATOM 1508 OD1 ASP A 126 2.280 9.264 14.939 1.00 1.00 O ATOM 1509 OD2 ASP A 126 0.715 9.341 16.417 1.00 1.00 O ATOM 0 H ASP A 126 1.185 9.294 12.806 1.00 1.00 H new ATOM 0 HA ASP A 126 0.959 12.097 12.895 1.00 1.00 H new ATOM 0 HB2 ASP A 126 0.376 11.696 15.265 1.00 1.00 H new ATOM 0 HB3 ASP A 126 -0.407 10.510 14.240 1.00 1.00 H new ATOM 1514 N VAL A 127 2.907 13.064 14.202 1.00 1.00 N ATOM 1515 CA VAL A 127 4.139 13.637 14.704 1.00 1.00 C ATOM 1516 C VAL A 127 3.999 13.973 16.180 1.00 1.00 C ATOM 1517 O VAL A 127 4.997 14.071 16.883 1.00 1.00 O ATOM 1518 CB VAL A 127 4.479 14.909 13.902 1.00 1.00 C ATOM 1519 CG1 VAL A 127 5.450 15.774 14.705 1.00 1.00 C ATOM 1520 CG2 VAL A 127 5.122 14.525 12.561 1.00 1.00 C ATOM 0 H VAL A 127 2.158 13.740 14.054 1.00 1.00 H new ATOM 0 HA VAL A 127 4.944 12.912 14.588 1.00 1.00 H new ATOM 0 HB VAL A 127 3.563 15.469 13.712 1.00 1.00 H new ATOM 0 HG11 VAL A 127 5.690 16.673 14.138 1.00 1.00 H new ATOM 0 HG12 VAL A 127 4.989 16.055 15.652 1.00 1.00 H new ATOM 0 HG13 VAL A 127 6.364 15.212 14.898 1.00 1.00 H new ATOM 0 HG21 VAL A 127 5.360 15.429 11.999 1.00 1.00 H new ATOM 0 HG22 VAL A 127 6.036 13.961 12.744 1.00 1.00 H new ATOM 0 HG23 VAL A 127 4.427 13.913 11.986 1.00 1.00 H new ATOM 1530 N ALA A 128 2.768 14.166 16.631 1.00 1.00 N ATOM 1531 CA ALA A 128 2.525 14.507 18.027 1.00 1.00 C ATOM 1532 C ALA A 128 3.026 13.396 18.943 1.00 1.00 C ATOM 1533 O ALA A 128 2.239 12.699 19.582 1.00 1.00 O ATOM 1534 CB ALA A 128 1.028 14.720 18.256 1.00 1.00 C ATOM 0 H ALA A 128 1.928 14.093 16.057 1.00 1.00 H new ATOM 0 HA ALA A 128 3.064 15.426 18.258 1.00 1.00 H new ATOM 0 HB1 ALA A 128 0.852 14.975 19.301 1.00 1.00 H new ATOM 0 HB2 ALA A 128 0.675 15.532 17.620 1.00 1.00 H new ATOM 0 HB3 ALA A 128 0.489 13.805 18.010 1.00 1.00 H new ATOM 1540 N GLY A 129 4.341 13.235 18.997 1.00 1.00 N ATOM 1541 CA GLY A 129 4.944 12.206 19.833 1.00 1.00 C ATOM 1542 C GLY A 129 6.406 11.989 19.468 1.00 1.00 C ATOM 1543 O GLY A 129 7.205 11.571 20.305 1.00 1.00 O ATOM 0 H GLY A 129 5.009 13.801 18.474 1.00 1.00 H new ATOM 0 HA2 GLY A 129 4.867 12.494 20.881 1.00 1.00 H new ATOM 0 HA3 GLY A 129 4.395 11.272 19.718 1.00 1.00 H new ATOM 1547 N PHE A 130 6.752 12.270 18.212 1.00 1.00 N ATOM 1548 CA PHE A 130 8.128 12.098 17.744 1.00 1.00 C ATOM 1549 C PHE A 130 8.807 13.452 17.566 1.00 1.00 C ATOM 1550 O PHE A 130 9.985 13.522 17.230 1.00 1.00 O ATOM 1551 CB PHE A 130 8.132 11.348 16.416 1.00 1.00 C ATOM 1552 CG PHE A 130 7.290 10.098 16.541 1.00 1.00 C ATOM 1553 CD1 PHE A 130 7.625 9.115 17.485 1.00 1.00 C ATOM 1554 CD2 PHE A 130 6.175 9.916 15.714 1.00 1.00 C ATOM 1555 CE1 PHE A 130 6.846 7.960 17.601 1.00 1.00 C ATOM 1556 CE2 PHE A 130 5.397 8.761 15.831 1.00 1.00 C ATOM 1557 CZ PHE A 130 5.732 7.782 16.774 1.00 1.00 C ATOM 0 H PHE A 130 6.104 12.615 17.504 1.00 1.00 H new ATOM 0 HA PHE A 130 8.678 11.524 18.490 1.00 1.00 H new ATOM 0 HB2 PHE A 130 7.739 11.986 15.624 1.00 1.00 H new ATOM 0 HB3 PHE A 130 9.153 11.086 16.137 1.00 1.00 H new ATOM 0 HD1 PHE A 130 8.486 9.251 18.123 1.00 1.00 H new ATOM 0 HD2 PHE A 130 5.916 10.669 14.985 1.00 1.00 H new ATOM 0 HE1 PHE A 130 7.104 7.205 18.329 1.00 1.00 H new ATOM 0 HE2 PHE A 130 4.536 8.623 15.193 1.00 1.00 H new ATOM 0 HZ PHE A 130 5.130 6.889 16.863 1.00 1.00 H new ATOM 1567 N SER A 131 8.058 14.529 17.791 1.00 1.00 N ATOM 1568 CA SER A 131 8.599 15.879 17.658 1.00 1.00 C ATOM 1569 C SER A 131 8.850 16.498 19.028 1.00 1.00 C ATOM 1570 O SER A 131 7.954 16.565 19.865 1.00 1.00 O ATOM 1571 CB SER A 131 7.621 16.743 16.858 1.00 1.00 C ATOM 1572 OG SER A 131 7.865 16.587 15.470 1.00 1.00 O ATOM 0 H SER A 131 7.076 14.493 18.066 1.00 1.00 H new ATOM 0 HA SER A 131 9.552 15.827 17.131 1.00 1.00 H new ATOM 0 HB2 SER A 131 6.595 16.457 17.090 1.00 1.00 H new ATOM 0 HB3 SER A 131 7.732 17.790 17.140 1.00 1.00 H new ATOM 0 HG SER A 131 7.781 17.455 15.023 1.00 1.00 H new ATOM 1578 N ILE A 132 10.079 16.952 19.241 1.00 1.00 N ATOM 1579 CA ILE A 132 10.445 17.567 20.506 1.00 1.00 C ATOM 1580 C ILE A 132 9.674 18.839 20.710 1.00 1.00 C ATOM 1581 O ILE A 132 9.085 19.030 21.767 1.00 1.00 O ATOM 1582 CB ILE A 132 11.940 17.872 20.529 1.00 1.00 C ATOM 1583 CG1 ILE A 132 12.729 16.597 20.135 1.00 1.00 C ATOM 1584 CG2 ILE A 132 12.344 18.319 21.942 1.00 1.00 C ATOM 1585 CD1 ILE A 132 13.241 16.722 18.700 1.00 1.00 C ATOM 0 H ILE A 132 10.834 16.905 18.557 1.00 1.00 H new ATOM 0 HA ILE A 132 10.206 16.870 21.309 1.00 1.00 H new ATOM 0 HB ILE A 132 12.166 18.669 19.820 1.00 1.00 H new ATOM 0 HG12 ILE A 132 13.567 16.452 20.817 1.00 1.00 H new ATOM 0 HG13 ILE A 132 12.088 15.720 20.226 1.00 1.00 H new ATOM 0 HG21 ILE A 132 13.412 18.538 21.963 1.00 1.00 H new ATOM 0 HG22 ILE A 132 11.785 19.214 22.214 1.00 1.00 H new ATOM 0 HG23 ILE A 132 12.123 17.523 22.653 1.00 1.00 H new ATOM 0 HD11 ILE A 132 13.794 15.822 18.431 1.00 1.00 H new ATOM 0 HD12 ILE A 132 12.397 16.845 18.022 1.00 1.00 H new ATOM 0 HD13 ILE A 132 13.898 17.588 18.622 1.00 1.00 H new ATOM 1597 N PHE A 133 9.688 19.699 19.693 1.00 1.00 N ATOM 1598 CA PHE A 133 8.981 20.971 19.757 1.00 1.00 C ATOM 1599 C PHE A 133 9.583 21.879 20.804 1.00 1.00 C ATOM 1600 O PHE A 133 9.612 23.077 20.590 1.00 1.00 O ATOM 1601 CB PHE A 133 7.482 20.744 20.045 1.00 1.00 C ATOM 1602 CG PHE A 133 6.809 22.052 20.417 1.00 1.00 C ATOM 1603 CD1 PHE A 133 6.896 23.154 19.560 1.00 1.00 C ATOM 1604 CD2 PHE A 133 6.105 22.162 21.626 1.00 1.00 C ATOM 1605 CE1 PHE A 133 6.283 24.358 19.907 1.00 1.00 C ATOM 1606 CE2 PHE A 133 5.495 23.367 21.973 1.00 1.00 C ATOM 1607 CZ PHE A 133 5.581 24.466 21.112 1.00 1.00 C ATOM 0 H PHE A 133 10.182 19.535 18.816 1.00 1.00 H new ATOM 0 HA PHE A 133 9.083 21.458 18.787 1.00 1.00 H new ATOM 0 HB2 PHE A 133 6.998 20.316 19.167 1.00 1.00 H new ATOM 0 HB3 PHE A 133 7.366 20.025 20.856 1.00 1.00 H new ATOM 0 HD1 PHE A 133 7.438 23.073 18.629 1.00 1.00 H new ATOM 0 HD2 PHE A 133 6.036 21.312 22.289 1.00 1.00 H new ATOM 0 HE1 PHE A 133 6.351 25.208 19.244 1.00 1.00 H new ATOM 0 HE2 PHE A 133 4.957 23.452 22.905 1.00 1.00 H new ATOM 0 HZ PHE A 133 5.105 25.398 21.378 1.00 1.00 H new ATOM 1617 N ILE A 134 10.027 21.294 21.925 1.00 1.00 N ATOM 1618 CA ILE A 134 10.608 22.020 23.045 1.00 1.00 C ATOM 1619 C ILE A 134 10.478 21.205 24.337 1.00 1.00 C ATOM 1620 O ILE A 134 11.471 20.981 25.035 1.00 1.00 O ATOM 1621 CB ILE A 134 9.919 23.398 23.216 1.00 1.00 C ATOM 1622 CG1 ILE A 134 10.719 24.471 22.439 1.00 1.00 C ATOM 1623 CG2 ILE A 134 9.832 23.795 24.714 1.00 1.00 C ATOM 1624 CD1 ILE A 134 11.785 25.093 23.334 1.00 1.00 C ATOM 0 H ILE A 134 9.988 20.286 22.074 1.00 1.00 H new ATOM 0 HA ILE A 134 11.666 22.181 22.836 1.00 1.00 H new ATOM 0 HB ILE A 134 8.905 23.331 22.821 1.00 1.00 H new ATOM 0 HG12 ILE A 134 11.188 24.021 21.564 1.00 1.00 H new ATOM 0 HG13 ILE A 134 10.043 25.245 22.076 1.00 1.00 H new ATOM 0 HG21 ILE A 134 9.344 24.766 24.805 1.00 1.00 H new ATOM 0 HG22 ILE A 134 9.254 23.046 25.256 1.00 1.00 H new ATOM 0 HG23 ILE A 134 10.836 23.852 25.134 1.00 1.00 H new ATOM 0 HD11 ILE A 134 12.338 25.845 22.772 1.00 1.00 H new ATOM 0 HD12 ILE A 134 11.309 25.561 24.196 1.00 1.00 H new ATOM 0 HD13 ILE A 134 12.471 24.318 23.675 1.00 1.00 H new ATOM 1636 N PRO A 135 9.283 20.797 24.681 1.00 1.00 N ATOM 1637 CA PRO A 135 9.033 20.028 25.933 1.00 1.00 C ATOM 1638 C PRO A 135 9.801 18.711 25.948 1.00 1.00 C ATOM 1639 O PRO A 135 10.158 18.268 27.027 1.00 1.00 O ATOM 1640 CB PRO A 135 7.507 19.794 25.914 1.00 1.00 C ATOM 1641 CG PRO A 135 7.101 19.969 24.487 1.00 1.00 C ATOM 1642 CD PRO A 135 8.035 21.013 23.926 1.00 1.00 C ATOM 1643 OXT PRO A 135 10.017 18.165 24.880 1.00 1.00 O ATOM 0 HA PRO A 135 9.369 20.557 26.825 1.00 1.00 H new ATOM 0 HB2 PRO A 135 7.257 18.796 26.275 1.00 1.00 H new ATOM 0 HB3 PRO A 135 6.992 20.505 26.560 1.00 1.00 H new ATOM 0 HG2 PRO A 135 7.185 19.031 23.937 1.00 1.00 H new ATOM 0 HG3 PRO A 135 6.062 20.291 24.411 1.00 1.00 H new ATOM 0 HD2 PRO A 135 8.186 20.883 22.854 1.00 1.00 H new ATOM 0 HD3 PRO A 135 7.646 22.021 24.073 1.00 1.00 H new