USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 758 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.35 USER MOD Set 2.1: A 58 SER OG : rot -82:sc= 0.111 USER MOD Set 2.2: A 67 HIS : no HD1:sc= 0.109 X(o=0.22,f=0) USER MOD Set 3.1: A 38 GLN : amide:sc= -2.06 K(o=-3.7,f=-5!) USER MOD Set 3.2: A 42 MET CE :methyl -127:sc= -1.64 (180deg=-0.977) USER MOD Single : A 15 SER OG : rot 160:sc= 0.00441 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 19 SER OG : rot -28:sc= 0.404 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 178:sc= -0.222 (180deg=-0.233) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.7!) USER MOD Single : A 32 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.011) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.00087) USER MOD Single : A 40 HIS : no HE2:sc= -0.254 X(o=-0.25,f=-0.27) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 101:sc= 1.06 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.63! C(o=-3.6!,f=-14!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.6) USER MOD Single : A 87 HIS : no HD1:sc= -7.46! C(o=-7.5!,f=-9.3!) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -135:sc= 0.744 (180deg=-0.183) USER MOD Single : A 98 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.0036) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -38:sc= 0.306 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0296 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.740 12.335 -4.506 1.00 0.00 N ATOM 106 CA ALA A 11 -4.737 10.887 -4.344 1.00 0.00 C ATOM 107 C ALA A 11 -5.468 10.204 -5.495 1.00 0.00 C ATOM 108 O ALA A 11 -6.366 9.391 -5.277 1.00 0.00 O ATOM 109 CB ALA A 11 -5.369 10.503 -3.014 1.00 0.00 C ATOM 0 HA ALA A 11 -3.701 10.548 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.360 9.418 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.803 10.953 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.398 10.862 -2.983 1.00 0.00 H new ATOM 115 N ARG A 12 -5.078 10.541 -6.720 1.00 0.00 N ATOM 116 CA ARG A 12 -5.698 9.961 -7.906 1.00 0.00 C ATOM 117 C ARG A 12 -4.764 8.954 -8.571 1.00 0.00 C ATOM 118 O ARG A 12 -3.881 9.327 -9.344 1.00 0.00 O ATOM 119 CB ARG A 12 -6.072 11.061 -8.901 1.00 0.00 C ATOM 120 CG ARG A 12 -7.114 10.631 -9.921 1.00 0.00 C ATOM 121 CD ARG A 12 -6.468 10.030 -11.159 1.00 0.00 C ATOM 122 NE ARG A 12 -7.373 10.033 -12.305 1.00 0.00 N ATOM 123 CZ ARG A 12 -6.966 9.913 -13.564 1.00 0.00 C ATOM 124 NH1 ARG A 12 -5.675 9.781 -13.836 1.00 0.00 N ATOM 125 NH2 ARG A 12 -7.850 9.924 -14.553 1.00 0.00 N ATOM 0 H ARG A 12 -4.336 11.212 -6.917 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.603 9.439 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.448 11.924 -8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.174 11.385 -9.426 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.787 9.901 -9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.721 11.490 -10.207 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.567 10.592 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.157 9.007 -10.945 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.373 10.133 -12.129 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.992 9.771 -13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.364 9.689 -14.803 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.844 10.025 -14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.536 9.832 -15.519 1.00 0.00 H new ATOM 139 N PHE A 13 -4.964 7.677 -8.263 1.00 0.00 N ATOM 140 CA PHE A 13 -4.139 6.616 -8.830 1.00 0.00 C ATOM 141 C PHE A 13 -4.931 5.317 -8.952 1.00 0.00 C ATOM 142 O PHE A 13 -6.011 5.180 -8.378 1.00 0.00 O ATOM 143 CB PHE A 13 -2.897 6.389 -7.964 1.00 0.00 C ATOM 144 CG PHE A 13 -3.216 6.020 -6.544 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.617 6.986 -5.636 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.116 4.705 -6.117 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.910 6.649 -4.328 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.408 4.362 -4.810 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.806 5.335 -3.915 1.00 0.00 C ATOM 0 H PHE A 13 -5.690 7.352 -7.624 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.827 6.926 -9.827 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.293 5.599 -8.409 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.290 7.295 -7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.702 8.015 -5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.806 3.940 -6.813 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.220 7.412 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.325 3.334 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.036 5.069 -2.894 1.00 0.00 H new ATOM 159 N ASP A 14 -4.386 4.368 -9.705 1.00 0.00 N ATOM 160 CA ASP A 14 -5.040 3.080 -9.903 1.00 0.00 C ATOM 161 C ASP A 14 -4.688 2.112 -8.778 1.00 0.00 C ATOM 162 O ASP A 14 -3.587 1.564 -8.740 1.00 0.00 O ATOM 163 CB ASP A 14 -4.637 2.482 -11.252 1.00 0.00 C ATOM 164 CG ASP A 14 -5.081 3.338 -12.421 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.188 3.912 -12.350 1.00 0.00 O ATOM 166 OD2 ASP A 14 -4.322 3.435 -13.409 1.00 0.00 O ATOM 0 H ASP A 14 -3.493 4.466 -10.188 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.118 3.243 -9.893 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.554 2.362 -11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.071 1.487 -11.349 1.00 0.00 H new ATOM 171 N SER A 15 -5.630 1.909 -7.863 1.00 0.00 N ATOM 172 CA SER A 15 -5.418 1.011 -6.733 1.00 0.00 C ATOM 173 C SER A 15 -5.310 -0.437 -7.203 1.00 0.00 C ATOM 174 O SER A 15 -4.594 -1.242 -6.608 1.00 0.00 O ATOM 175 CB SER A 15 -6.559 1.148 -5.724 1.00 0.00 C ATOM 176 OG SER A 15 -7.820 1.085 -6.368 1.00 0.00 O ATOM 0 H SER A 15 -6.548 2.354 -7.882 1.00 0.00 H new ATOM 0 HA SER A 15 -4.481 1.289 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.487 0.355 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.466 2.095 -5.192 1.00 0.00 H new ATOM 0 HG SER A 15 -8.511 0.854 -5.713 1.00 0.00 H new ATOM 182 N SER A 16 -6.027 -0.760 -8.275 1.00 0.00 N ATOM 183 CA SER A 16 -6.015 -2.111 -8.823 1.00 0.00 C ATOM 184 C SER A 16 -4.736 -2.365 -9.614 1.00 0.00 C ATOM 185 O SER A 16 -4.166 -3.456 -9.559 1.00 0.00 O ATOM 186 CB SER A 16 -7.235 -2.330 -9.720 1.00 0.00 C ATOM 187 OG SER A 16 -7.048 -1.729 -10.990 1.00 0.00 O ATOM 0 H SER A 16 -6.623 -0.105 -8.781 1.00 0.00 H new ATOM 0 HA SER A 16 -6.053 -2.815 -7.991 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.413 -3.398 -9.842 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.121 -1.911 -9.243 1.00 0.00 H new ATOM 0 HG SER A 16 -7.840 -1.884 -11.545 1.00 0.00 H new ATOM 193 N ASP A 17 -4.290 -1.352 -10.348 1.00 0.00 N ATOM 194 CA ASP A 17 -3.077 -1.465 -11.150 1.00 0.00 C ATOM 195 C ASP A 17 -1.870 -1.771 -10.269 1.00 0.00 C ATOM 196 O ASP A 17 -1.228 -0.863 -9.741 1.00 0.00 O ATOM 197 CB ASP A 17 -2.838 -0.174 -11.934 1.00 0.00 C ATOM 198 CG ASP A 17 -1.844 -0.358 -13.064 1.00 0.00 C ATOM 199 OD1 ASP A 17 -2.092 -1.215 -13.938 1.00 0.00 O ATOM 200 OD2 ASP A 17 -0.817 0.352 -13.074 1.00 0.00 O ATOM 0 H ASP A 17 -4.750 -0.443 -10.404 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.209 -2.288 -11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.785 0.181 -12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.474 0.597 -11.256 1.00 0.00 H new ATOM 205 N ARG A 18 -1.567 -3.056 -10.115 1.00 0.00 N ATOM 206 CA ARG A 18 -0.439 -3.482 -9.297 1.00 0.00 C ATOM 207 C ARG A 18 0.879 -2.994 -9.892 1.00 0.00 C ATOM 208 O ARG A 18 1.806 -2.638 -9.164 1.00 0.00 O ATOM 209 CB ARG A 18 -0.420 -5.006 -9.169 1.00 0.00 C ATOM 210 CG ARG A 18 -1.199 -5.527 -7.972 1.00 0.00 C ATOM 211 CD ARG A 18 -1.783 -6.904 -8.244 1.00 0.00 C ATOM 212 NE ARG A 18 -2.929 -6.844 -9.148 1.00 0.00 N ATOM 213 CZ ARG A 18 -3.733 -7.874 -9.385 1.00 0.00 C ATOM 214 NH1 ARG A 18 -3.519 -9.038 -8.786 1.00 0.00 N ATOM 215 NH2 ARG A 18 -4.755 -7.742 -10.221 1.00 0.00 N ATOM 0 H ARG A 18 -2.087 -3.820 -10.546 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.555 -3.043 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.832 -5.444 -10.078 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.614 -5.343 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.544 -5.574 -7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.002 -4.832 -7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.014 -7.545 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.088 -7.361 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.122 -5.962 -9.623 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.735 -9.143 -8.142 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.138 -9.828 -8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.924 -6.848 -10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.372 -8.534 -10.402 1.00 0.00 H new ATOM 229 N SER A 19 0.955 -2.983 -11.219 1.00 0.00 N ATOM 230 CA SER A 19 2.160 -2.544 -11.912 1.00 0.00 C ATOM 231 C SER A 19 2.387 -1.048 -11.714 1.00 0.00 C ATOM 232 O SER A 19 3.366 -0.487 -12.203 1.00 0.00 O ATOM 233 CB SER A 19 2.061 -2.863 -13.405 1.00 0.00 C ATOM 234 OG SER A 19 3.296 -2.630 -14.060 1.00 0.00 O ATOM 0 H SER A 19 0.196 -3.273 -11.836 1.00 0.00 H new ATOM 0 HA SER A 19 3.008 -3.082 -11.488 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.766 -3.904 -13.539 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.283 -2.250 -13.860 1.00 0.00 H new ATOM 0 HG SER A 19 3.789 -1.927 -13.588 1.00 0.00 H new ATOM 240 N ALA A 20 1.472 -0.408 -10.992 1.00 0.00 N ATOM 241 CA ALA A 20 1.572 1.022 -10.727 1.00 0.00 C ATOM 242 C ALA A 20 2.012 1.284 -9.290 1.00 0.00 C ATOM 243 O ALA A 20 2.619 2.314 -8.996 1.00 0.00 O ATOM 244 CB ALA A 20 0.241 1.704 -11.006 1.00 0.00 C ATOM 0 H ALA A 20 0.654 -0.857 -10.581 1.00 0.00 H new ATOM 0 HA ALA A 20 2.328 1.439 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.330 2.771 -10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.033 1.554 -12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.529 1.276 -10.364 1.00 0.00 H new ATOM 250 N TRP A 21 1.701 0.348 -8.401 1.00 0.00 N ATOM 251 CA TRP A 21 2.064 0.480 -6.995 1.00 0.00 C ATOM 252 C TRP A 21 2.772 -0.775 -6.496 1.00 0.00 C ATOM 253 O TRP A 21 3.787 -0.693 -5.804 1.00 0.00 O ATOM 254 CB TRP A 21 0.819 0.749 -6.148 1.00 0.00 C ATOM 255 CG TRP A 21 -0.307 -0.198 -6.430 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.337 -0.009 -7.308 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.519 -1.481 -5.831 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.175 -1.098 -7.290 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.695 -2.015 -6.392 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.172 -2.232 -4.876 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.194 -3.263 -6.029 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.324 -3.470 -4.515 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.497 -3.976 -5.091 1.00 0.00 C ATOM 0 H TRP A 21 1.199 -0.510 -8.629 1.00 0.00 H new ATOM 0 HA TRP A 21 2.748 1.323 -6.900 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.085 0.682 -5.093 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.480 1.769 -6.327 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.472 0.867 -7.925 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.018 -1.206 -7.854 1.00 0.00 H new ATOM 0 HE3 TRP A 21 1.078 -1.851 -4.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.098 -3.654 -6.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.201 -4.058 -3.777 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.858 -4.948 -4.789 1.00 0.00 H new ATOM 274 N TYR A 22 2.230 -1.935 -6.850 1.00 0.00 N ATOM 275 CA TYR A 22 2.809 -3.207 -6.436 1.00 0.00 C ATOM 276 C TYR A 22 4.226 -3.364 -6.979 1.00 0.00 C ATOM 277 O TYR A 22 4.423 -3.597 -8.171 1.00 0.00 O ATOM 278 CB TYR A 22 1.936 -4.369 -6.915 1.00 0.00 C ATOM 279 CG TYR A 22 2.309 -5.700 -6.302 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.510 -5.825 -4.933 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.459 -6.833 -7.092 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.852 -7.038 -4.369 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.800 -8.051 -6.537 1.00 0.00 C ATOM 284 CZ TYR A 22 2.995 -8.149 -5.175 1.00 0.00 C ATOM 285 OH TYR A 22 3.334 -9.360 -4.617 1.00 0.00 O ATOM 0 H TYR A 22 1.390 -2.020 -7.423 1.00 0.00 H new ATOM 0 HA TYR A 22 2.853 -3.219 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.894 -4.150 -6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.010 -4.445 -8.000 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.397 -4.958 -4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.306 -6.760 -8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.007 -7.117 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.913 -8.922 -7.166 1.00 0.00 H new ATOM 0 HH TYR A 22 3.393 -10.039 -5.321 1.00 0.00 H new ATOM 295 N MET A 23 5.209 -3.235 -6.094 1.00 0.00 N ATOM 296 CA MET A 23 6.608 -3.363 -6.483 1.00 0.00 C ATOM 297 C MET A 23 7.038 -4.827 -6.491 1.00 0.00 C ATOM 298 O MET A 23 8.164 -5.151 -6.866 1.00 0.00 O ATOM 299 CB MET A 23 7.500 -2.563 -5.532 1.00 0.00 C ATOM 300 CG MET A 23 7.018 -1.140 -5.300 1.00 0.00 C ATOM 301 SD MET A 23 7.700 0.028 -6.492 1.00 0.00 S ATOM 302 CE MET A 23 6.269 1.055 -6.818 1.00 0.00 C ATOM 0 H MET A 23 5.062 -3.042 -5.103 1.00 0.00 H new ATOM 0 HA MET A 23 6.716 -2.965 -7.492 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.553 -3.081 -4.574 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.512 -2.534 -5.935 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.930 -1.116 -5.355 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.293 -0.827 -4.293 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.542 1.849 -7.513 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.477 0.447 -7.255 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.916 1.494 -5.885 1.00 0.00 H new ATOM 312 N GLY A 24 6.133 -5.707 -6.073 1.00 0.00 N ATOM 313 CA GLY A 24 6.439 -7.126 -6.039 1.00 0.00 C ATOM 314 C GLY A 24 7.914 -7.396 -5.821 1.00 0.00 C ATOM 315 O GLY A 24 8.389 -7.491 -4.689 1.00 0.00 O ATOM 0 H GLY A 24 5.194 -5.463 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.865 -7.599 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.123 -7.585 -6.976 1.00 0.00 H new ATOM 319 N PRO A 25 8.665 -7.527 -6.925 1.00 0.00 N ATOM 320 CA PRO A 25 10.106 -7.791 -6.874 1.00 0.00 C ATOM 321 C PRO A 25 10.898 -6.594 -6.359 1.00 0.00 C ATOM 322 O PRO A 25 11.496 -5.851 -7.137 1.00 0.00 O ATOM 323 CB PRO A 25 10.465 -8.081 -8.334 1.00 0.00 C ATOM 324 CG PRO A 25 9.424 -7.370 -9.128 1.00 0.00 C ATOM 325 CD PRO A 25 8.166 -7.426 -8.306 1.00 0.00 C ATOM 0 HA PRO A 25 10.347 -8.606 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.464 -7.718 -8.576 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.457 -9.152 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.718 -6.338 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.279 -7.847 -10.097 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.553 -6.536 -8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.549 -8.284 -8.574 1.00 0.00 H new ATOM 333 N VAL A 26 10.897 -6.413 -5.042 1.00 0.00 N ATOM 334 CA VAL A 26 11.617 -5.307 -4.422 1.00 0.00 C ATOM 335 C VAL A 26 11.999 -5.637 -2.984 1.00 0.00 C ATOM 336 O VAL A 26 11.234 -6.271 -2.257 1.00 0.00 O ATOM 337 CB VAL A 26 10.779 -4.015 -4.435 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.354 -2.995 -3.464 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.706 -3.441 -5.843 1.00 0.00 C ATOM 0 H VAL A 26 10.406 -7.018 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 26 12.522 -5.150 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 26 9.766 -4.257 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.749 -2.089 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.349 -3.409 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.377 -2.755 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.110 -2.528 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.712 -3.214 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.244 -4.169 -6.509 1.00 0.00 H new ATOM 349 N SER A 27 13.188 -5.202 -2.579 1.00 0.00 N ATOM 350 CA SER A 27 13.675 -5.454 -1.228 1.00 0.00 C ATOM 351 C SER A 27 13.612 -4.186 -0.382 1.00 0.00 C ATOM 352 O SER A 27 13.703 -3.074 -0.903 1.00 0.00 O ATOM 353 CB SER A 27 15.110 -5.982 -1.270 1.00 0.00 C ATOM 354 OG SER A 27 15.162 -7.274 -1.850 1.00 0.00 O ATOM 0 H SER A 27 13.832 -4.673 -3.167 1.00 0.00 H new ATOM 0 HA SER A 27 13.032 -6.207 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.736 -5.298 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.518 -6.017 -0.260 1.00 0.00 H new ATOM 0 HG SER A 27 16.090 -7.588 -1.867 1.00 0.00 H new ATOM 360 N ARG A 28 13.456 -4.361 0.926 1.00 0.00 N ATOM 361 CA ARG A 28 13.380 -3.232 1.845 1.00 0.00 C ATOM 362 C ARG A 28 14.410 -2.166 1.483 1.00 0.00 C ATOM 363 O ARG A 28 14.088 -0.982 1.396 1.00 0.00 O ATOM 364 CB ARG A 28 13.599 -3.701 3.284 1.00 0.00 C ATOM 365 CG ARG A 28 12.870 -2.859 4.318 1.00 0.00 C ATOM 366 CD ARG A 28 13.617 -2.834 5.642 1.00 0.00 C ATOM 367 NE ARG A 28 12.764 -2.392 6.743 1.00 0.00 N ATOM 368 CZ ARG A 28 13.230 -1.852 7.863 1.00 0.00 C ATOM 369 NH1 ARG A 28 14.535 -1.686 8.029 1.00 0.00 N ATOM 370 NH2 ARG A 28 12.391 -1.474 8.819 1.00 0.00 N ATOM 0 H ARG A 28 13.380 -5.274 1.373 1.00 0.00 H new ATOM 0 HA ARG A 28 12.385 -2.795 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.270 -4.736 3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.667 -3.686 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.755 -1.841 3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.867 -3.258 4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.003 -3.830 5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.477 -2.170 5.561 1.00 0.00 H new ATOM 0 HE ARG A 28 11.755 -2.504 6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.183 -1.973 7.296 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.891 -1.271 8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.386 -1.598 8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.751 -1.059 9.679 1.00 0.00 H new ATOM 384 N GLN A 29 15.650 -2.596 1.274 1.00 0.00 N ATOM 385 CA GLN A 29 16.728 -1.679 0.924 1.00 0.00 C ATOM 386 C GLN A 29 16.322 -0.781 -0.240 1.00 0.00 C ATOM 387 O GLN A 29 16.490 0.436 -0.185 1.00 0.00 O ATOM 388 CB GLN A 29 17.994 -2.459 0.564 1.00 0.00 C ATOM 389 CG GLN A 29 17.796 -3.447 -0.574 1.00 0.00 C ATOM 390 CD GLN A 29 18.721 -4.644 -0.475 1.00 0.00 C ATOM 391 OE1 GLN A 29 19.120 -5.046 0.619 1.00 0.00 O ATOM 392 NE2 GLN A 29 19.067 -5.222 -1.619 1.00 0.00 N ATOM 0 H GLN A 29 15.933 -3.574 1.341 1.00 0.00 H new ATOM 0 HA GLN A 29 16.932 -1.050 1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.779 -1.755 0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.342 -2.998 1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.762 -3.791 -0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.965 -2.940 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.713 -4.856 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.687 -6.032 -1.614 1.00 0.00 H new ATOM 401 N GLU A 30 15.786 -1.391 -1.293 1.00 0.00 N ATOM 402 CA GLU A 30 15.357 -0.646 -2.470 1.00 0.00 C ATOM 403 C GLU A 30 14.189 0.277 -2.135 1.00 0.00 C ATOM 404 O GLU A 30 14.321 1.500 -2.171 1.00 0.00 O ATOM 405 CB GLU A 30 14.956 -1.607 -3.592 1.00 0.00 C ATOM 406 CG GLU A 30 14.828 -0.939 -4.950 1.00 0.00 C ATOM 407 CD GLU A 30 15.153 -1.878 -6.095 1.00 0.00 C ATOM 408 OE1 GLU A 30 15.021 -3.106 -5.912 1.00 0.00 O ATOM 409 OE2 GLU A 30 15.538 -1.384 -7.176 1.00 0.00 O ATOM 0 H GLU A 30 15.639 -2.398 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 30 16.195 -0.035 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.696 -2.405 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.005 -2.075 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.812 -0.562 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.495 -0.078 -4.991 1.00 0.00 H new ATOM 416 N ALA A 31 13.047 -0.319 -1.808 1.00 0.00 N ATOM 417 CA ALA A 31 11.856 0.448 -1.465 1.00 0.00 C ATOM 418 C ALA A 31 12.225 1.744 -0.750 1.00 0.00 C ATOM 419 O ALA A 31 11.602 2.782 -0.967 1.00 0.00 O ATOM 420 CB ALA A 31 10.922 -0.386 -0.601 1.00 0.00 C ATOM 0 H ALA A 31 12.922 -1.331 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 31 11.342 0.708 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.037 0.199 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.624 -1.281 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.435 -0.675 0.316 1.00 0.00 H new ATOM 426 N GLN A 32 13.242 1.674 0.104 1.00 0.00 N ATOM 427 CA GLN A 32 13.692 2.842 0.851 1.00 0.00 C ATOM 428 C GLN A 32 14.228 3.917 -0.089 1.00 0.00 C ATOM 429 O GLN A 32 13.796 5.069 -0.043 1.00 0.00 O ATOM 430 CB GLN A 32 14.772 2.444 1.858 1.00 0.00 C ATOM 431 CG GLN A 32 14.218 2.018 3.209 1.00 0.00 C ATOM 432 CD GLN A 32 15.226 2.179 4.330 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.557 1.218 5.025 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.720 3.398 4.512 1.00 0.00 N ATOM 0 H GLN A 32 13.769 0.822 0.295 1.00 0.00 H new ATOM 0 HA GLN A 32 12.836 3.250 1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.361 1.627 1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.450 3.285 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.330 2.609 3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.903 0.976 3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.417 4.166 3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.402 3.567 5.251 1.00 0.00 H new ATOM 443 N THR A 33 15.172 3.533 -0.942 1.00 0.00 N ATOM 444 CA THR A 33 15.769 4.464 -1.892 1.00 0.00 C ATOM 445 C THR A 33 14.716 5.039 -2.832 1.00 0.00 C ATOM 446 O THR A 33 14.880 6.136 -3.366 1.00 0.00 O ATOM 447 CB THR A 33 16.871 3.785 -2.726 1.00 0.00 C ATOM 448 OG1 THR A 33 17.668 4.777 -3.384 1.00 0.00 O ATOM 449 CG2 THR A 33 16.267 2.846 -3.760 1.00 0.00 C ATOM 0 H THR A 33 15.540 2.583 -0.995 1.00 0.00 H new ATOM 0 HA THR A 33 16.211 5.272 -1.309 1.00 0.00 H new ATOM 0 HB THR A 33 17.499 3.202 -2.052 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.368 4.338 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.065 2.378 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.684 2.075 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.619 3.411 -4.430 1.00 0.00 H new ATOM 457 N ARG A 34 13.635 4.291 -3.031 1.00 0.00 N ATOM 458 CA ARG A 34 12.555 4.727 -3.908 1.00 0.00 C ATOM 459 C ARG A 34 11.664 5.748 -3.207 1.00 0.00 C ATOM 460 O ARG A 34 11.048 6.598 -3.852 1.00 0.00 O ATOM 461 CB ARG A 34 11.719 3.528 -4.358 1.00 0.00 C ATOM 462 CG ARG A 34 12.552 2.321 -4.758 1.00 0.00 C ATOM 463 CD ARG A 34 11.855 1.492 -5.825 1.00 0.00 C ATOM 464 NE ARG A 34 12.808 0.815 -6.701 1.00 0.00 N ATOM 465 CZ ARG A 34 12.448 0.055 -7.730 1.00 0.00 C ATOM 466 NH1 ARG A 34 11.165 -0.123 -8.011 1.00 0.00 N ATOM 467 NH2 ARG A 34 13.374 -0.528 -8.481 1.00 0.00 N ATOM 0 H ARG A 34 13.484 3.380 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 34 13.000 5.200 -4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.045 3.242 -3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.097 3.826 -5.202 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.521 2.654 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.742 1.702 -3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.213 0.752 -5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.209 2.137 -6.421 1.00 0.00 H new ATOM 0 HE ARG A 34 13.804 0.932 -6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.450 0.324 -7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.892 -0.707 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.362 -0.393 -8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.097 -1.111 -9.271 1.00 0.00 H new ATOM 481 N LEU A 35 11.598 5.658 -1.883 1.00 0.00 N ATOM 482 CA LEU A 35 10.781 6.573 -1.094 1.00 0.00 C ATOM 483 C LEU A 35 11.647 7.394 -0.143 1.00 0.00 C ATOM 484 O LEU A 35 11.139 8.034 0.777 1.00 0.00 O ATOM 485 CB LEU A 35 9.730 5.795 -0.301 1.00 0.00 C ATOM 486 CG LEU A 35 8.901 4.785 -1.096 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.114 3.884 -0.157 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.966 5.503 -2.058 1.00 0.00 C ATOM 0 H LEU A 35 12.100 4.961 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 35 10.278 7.255 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.233 5.265 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.049 6.510 0.161 1.00 0.00 H new ATOM 0 HG LEU A 35 9.581 4.163 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.530 3.172 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.803 3.343 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.443 4.490 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.384 4.769 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.292 6.150 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.551 6.105 -2.753 1.00 0.00 H new ATOM 500 N GLN A 36 12.956 7.372 -0.375 1.00 0.00 N ATOM 501 CA GLN A 36 13.891 8.115 0.460 1.00 0.00 C ATOM 502 C GLN A 36 14.015 9.560 -0.014 1.00 0.00 C ATOM 503 O GLN A 36 14.446 9.821 -1.136 1.00 0.00 O ATOM 504 CB GLN A 36 15.265 7.443 0.447 1.00 0.00 C ATOM 505 CG GLN A 36 16.370 8.304 1.037 1.00 0.00 C ATOM 506 CD GLN A 36 16.368 8.299 2.553 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.307 7.815 3.185 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.310 8.840 3.146 1.00 0.00 N ATOM 0 H GLN A 36 13.392 6.848 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 36 13.505 8.117 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.208 6.508 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.525 7.187 -0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.335 7.946 0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.257 9.328 0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.554 9.230 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.254 8.866 4.164 1.00 0.00 H new ATOM 517 N GLY A 37 13.633 10.496 0.850 1.00 0.00 N ATOM 518 CA GLY A 37 13.708 11.902 0.501 1.00 0.00 C ATOM 519 C GLY A 37 12.676 12.298 -0.536 1.00 0.00 C ATOM 520 O GLY A 37 12.795 13.347 -1.170 1.00 0.00 O ATOM 0 H GLY A 37 13.273 10.305 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.566 12.504 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.705 12.126 0.121 1.00 0.00 H new ATOM 524 N GLN A 38 11.662 11.457 -0.711 1.00 0.00 N ATOM 525 CA GLN A 38 10.607 11.724 -1.681 1.00 0.00 C ATOM 526 C GLN A 38 9.482 12.539 -1.051 1.00 0.00 C ATOM 527 O GLN A 38 9.476 12.776 0.157 1.00 0.00 O ATOM 528 CB GLN A 38 10.052 10.412 -2.238 1.00 0.00 C ATOM 529 CG GLN A 38 10.954 9.761 -3.275 1.00 0.00 C ATOM 530 CD GLN A 38 10.720 10.299 -4.673 1.00 0.00 C ATOM 531 OE1 GLN A 38 10.070 9.656 -5.497 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.249 11.486 -4.947 1.00 0.00 N ATOM 0 H GLN A 38 11.549 10.585 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 38 11.038 12.303 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.896 9.715 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.076 10.601 -2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.996 9.922 -2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.787 8.684 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.781 11.984 -4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.123 11.899 -5.871 1.00 0.00 H new ATOM 541 N ARG A 39 8.532 12.964 -1.877 1.00 0.00 N ATOM 542 CA ARG A 39 7.402 13.754 -1.401 1.00 0.00 C ATOM 543 C ARG A 39 6.561 12.955 -0.410 1.00 0.00 C ATOM 544 O ARG A 39 6.395 11.744 -0.554 1.00 0.00 O ATOM 545 CB ARG A 39 6.534 14.203 -2.578 1.00 0.00 C ATOM 546 CG ARG A 39 5.633 13.107 -3.123 1.00 0.00 C ATOM 547 CD ARG A 39 4.896 13.562 -4.373 1.00 0.00 C ATOM 548 NE ARG A 39 3.962 14.650 -4.092 1.00 0.00 N ATOM 549 CZ ARG A 39 4.300 15.934 -4.123 1.00 0.00 C ATOM 550 NH1 ARG A 39 5.542 16.289 -4.421 1.00 0.00 N ATOM 551 NH2 ARG A 39 3.394 16.866 -3.856 1.00 0.00 N ATOM 0 H ARG A 39 8.522 12.775 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 39 7.794 14.634 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.918 15.045 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.180 14.562 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.230 12.224 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.912 12.815 -2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.618 13.888 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.353 12.719 -4.801 1.00 0.00 H new ATOM 0 HE ARG A 39 2.998 14.410 -3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.241 15.575 -4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.799 17.276 -4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.437 16.596 -3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.654 17.852 -3.880 1.00 0.00 H new ATOM 565 N HIS A 40 6.032 13.643 0.598 1.00 0.00 N ATOM 566 CA HIS A 40 5.207 12.998 1.614 1.00 0.00 C ATOM 567 C HIS A 40 3.921 12.451 1.002 1.00 0.00 C ATOM 568 O HIS A 40 3.164 13.183 0.366 1.00 0.00 O ATOM 569 CB HIS A 40 4.875 13.985 2.733 1.00 0.00 C ATOM 570 CG HIS A 40 6.029 14.268 3.644 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.069 15.354 4.494 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.189 13.598 3.838 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.204 15.340 5.169 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.902 14.285 4.789 1.00 0.00 N ATOM 0 H HIS A 40 6.160 14.646 0.733 1.00 0.00 H new ATOM 0 HA HIS A 40 5.772 12.165 2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.534 14.921 2.291 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.047 13.590 3.321 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.336 16.058 4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.496 12.692 3.338 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.510 16.068 5.906 1.00 0.00 H new ATOM 583 N GLY A 41 3.679 11.159 1.200 1.00 0.00 N ATOM 584 CA GLY A 41 2.484 10.536 0.661 1.00 0.00 C ATOM 585 C GLY A 41 2.798 9.332 -0.205 1.00 0.00 C ATOM 586 O GLY A 41 2.006 8.394 -0.285 1.00 0.00 O ATOM 0 H GLY A 41 4.289 10.532 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.836 10.230 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.930 11.268 0.073 1.00 0.00 H new ATOM 590 N MET A 42 3.956 9.360 -0.856 1.00 0.00 N ATOM 591 CA MET A 42 4.371 8.262 -1.722 1.00 0.00 C ATOM 592 C MET A 42 4.301 6.930 -0.982 1.00 0.00 C ATOM 593 O MET A 42 4.681 6.836 0.186 1.00 0.00 O ATOM 594 CB MET A 42 5.793 8.499 -2.235 1.00 0.00 C ATOM 595 CG MET A 42 6.063 7.866 -3.591 1.00 0.00 C ATOM 596 SD MET A 42 7.688 8.292 -4.245 1.00 0.00 S ATOM 597 CE MET A 42 7.357 9.906 -4.948 1.00 0.00 C ATOM 0 H MET A 42 4.623 10.130 -0.801 1.00 0.00 H new ATOM 0 HA MET A 42 3.688 8.223 -2.570 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.972 9.572 -2.302 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.503 8.102 -1.510 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.983 6.782 -3.504 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.296 8.186 -4.296 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.684 9.924 -5.988 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.288 10.111 -4.900 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.898 10.666 -4.385 1.00 0.00 H new ATOM 607 N PHE A 43 3.812 5.902 -1.668 1.00 0.00 N ATOM 608 CA PHE A 43 3.691 4.575 -1.074 1.00 0.00 C ATOM 609 C PHE A 43 3.990 3.490 -2.104 1.00 0.00 C ATOM 610 O PHE A 43 4.106 3.766 -3.299 1.00 0.00 O ATOM 611 CB PHE A 43 2.286 4.376 -0.501 1.00 0.00 C ATOM 612 CG PHE A 43 1.273 3.959 -1.528 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.209 2.645 -1.963 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.384 4.880 -2.057 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.278 2.258 -2.908 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.550 4.499 -3.003 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.603 3.186 -3.428 1.00 0.00 C ATOM 0 H PHE A 43 3.493 5.962 -2.635 1.00 0.00 H new ATOM 0 HA PHE A 43 4.420 4.497 -0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.326 3.622 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.958 5.305 -0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.895 1.915 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.421 5.908 -1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.239 1.231 -3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.237 5.227 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.332 2.885 -4.166 1.00 0.00 H new ATOM 627 N LEU A 44 4.115 2.254 -1.632 1.00 0.00 N ATOM 628 CA LEU A 44 4.402 1.125 -2.511 1.00 0.00 C ATOM 629 C LEU A 44 4.223 -0.198 -1.773 1.00 0.00 C ATOM 630 O LEU A 44 4.533 -0.307 -0.587 1.00 0.00 O ATOM 631 CB LEU A 44 5.827 1.228 -3.058 1.00 0.00 C ATOM 632 CG LEU A 44 6.950 0.923 -2.066 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.144 -0.578 -1.925 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.245 1.591 -2.505 1.00 0.00 C ATOM 0 H LEU A 44 4.022 2.008 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 44 3.698 1.155 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.921 0.546 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.975 2.236 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 44 6.669 1.325 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.947 -0.776 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.221 -1.032 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.403 -1.004 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.033 1.363 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.531 1.219 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.099 2.670 -2.554 1.00 0.00 H new ATOM 646 N VAL A 45 3.721 -1.203 -2.485 1.00 0.00 N ATOM 647 CA VAL A 45 3.504 -2.520 -1.899 1.00 0.00 C ATOM 648 C VAL A 45 4.384 -3.571 -2.568 1.00 0.00 C ATOM 649 O VAL A 45 4.225 -3.865 -3.752 1.00 0.00 O ATOM 650 CB VAL A 45 2.030 -2.950 -2.017 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.790 -4.248 -1.260 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.112 -1.849 -1.508 1.00 0.00 C ATOM 0 H VAL A 45 3.457 -1.130 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 45 3.770 -2.445 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 45 1.803 -3.124 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.743 -4.536 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.422 -5.033 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.033 -4.105 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.074 -2.170 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.338 -1.642 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.265 -0.946 -2.098 1.00 0.00 H new ATOM 662 N ARG A 46 5.311 -4.133 -1.800 1.00 0.00 N ATOM 663 CA ARG A 46 6.217 -5.151 -2.318 1.00 0.00 C ATOM 664 C ARG A 46 6.024 -6.475 -1.583 1.00 0.00 C ATOM 665 O ARG A 46 5.430 -6.518 -0.506 1.00 0.00 O ATOM 666 CB ARG A 46 7.669 -4.688 -2.184 1.00 0.00 C ATOM 667 CG ARG A 46 8.111 -4.479 -0.745 1.00 0.00 C ATOM 668 CD ARG A 46 9.585 -4.115 -0.663 1.00 0.00 C ATOM 669 NE ARG A 46 10.199 -4.591 0.574 1.00 0.00 N ATOM 670 CZ ARG A 46 10.433 -5.873 0.832 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.107 -6.802 -0.056 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.995 -6.228 1.981 1.00 0.00 N ATOM 0 H ARG A 46 5.455 -3.901 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 46 5.987 -5.303 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.321 -5.425 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.796 -3.755 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.514 -3.688 -0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.927 -5.387 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.112 -4.542 -1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.695 -3.033 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 46 10.462 -3.902 1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.675 -6.533 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.288 -7.785 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.247 -5.516 2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.174 -7.213 2.178 1.00 0.00 H new ATOM 686 N ASP A 47 6.531 -7.552 -2.174 1.00 0.00 N ATOM 687 CA ASP A 47 6.415 -8.877 -1.576 1.00 0.00 C ATOM 688 C ASP A 47 7.297 -8.993 -0.337 1.00 0.00 C ATOM 689 O ASP A 47 8.508 -8.779 -0.402 1.00 0.00 O ATOM 690 CB ASP A 47 6.798 -9.954 -2.592 1.00 0.00 C ATOM 691 CG ASP A 47 6.211 -11.309 -2.249 1.00 0.00 C ATOM 692 OD1 ASP A 47 4.972 -11.450 -2.308 1.00 0.00 O ATOM 693 OD2 ASP A 47 6.991 -12.228 -1.921 1.00 0.00 O ATOM 0 H ASP A 47 7.026 -7.533 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 47 5.377 -9.024 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.456 -9.653 -3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.884 -10.034 -2.641 1.00 0.00 H new ATOM 698 N SER A 48 6.682 -9.332 0.792 1.00 0.00 N ATOM 699 CA SER A 48 7.411 -9.472 2.047 1.00 0.00 C ATOM 700 C SER A 48 8.399 -10.632 1.976 1.00 0.00 C ATOM 701 O SER A 48 8.067 -11.717 1.499 1.00 0.00 O ATOM 702 CB SER A 48 6.435 -9.689 3.206 1.00 0.00 C ATOM 703 OG SER A 48 7.047 -9.395 4.450 1.00 0.00 O ATOM 0 H SER A 48 5.681 -9.515 0.863 1.00 0.00 H new ATOM 0 HA SER A 48 7.970 -8.552 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.558 -9.056 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.087 -10.722 3.204 1.00 0.00 H new ATOM 0 HG SER A 48 6.403 -9.540 5.174 1.00 0.00 H new ATOM 766 N ASP A 54 3.014 -12.525 3.294 1.00 0.00 N ATOM 767 CA ASP A 54 2.663 -11.201 3.795 1.00 0.00 C ATOM 768 C ASP A 54 3.184 -10.112 2.862 1.00 0.00 C ATOM 769 O ASP A 54 3.853 -10.398 1.869 1.00 0.00 O ATOM 770 CB ASP A 54 3.227 -10.999 5.202 1.00 0.00 C ATOM 771 CG ASP A 54 2.325 -11.575 6.276 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.687 -12.617 6.018 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.259 -10.984 7.373 1.00 0.00 O ATOM 0 HA ASP A 54 1.576 -11.130 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.209 -11.467 5.267 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.369 -9.934 5.384 1.00 0.00 H new ATOM 778 N TYR A 55 2.872 -8.862 3.188 1.00 0.00 N ATOM 779 CA TYR A 55 3.306 -7.730 2.379 1.00 0.00 C ATOM 780 C TYR A 55 3.740 -6.564 3.261 1.00 0.00 C ATOM 781 O TYR A 55 3.402 -6.505 4.443 1.00 0.00 O ATOM 782 CB TYR A 55 2.181 -7.285 1.442 1.00 0.00 C ATOM 783 CG TYR A 55 1.720 -8.368 0.493 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.530 -8.794 -0.553 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.474 -8.964 0.640 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.113 -9.782 -1.423 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.049 -9.954 -0.225 1.00 0.00 C ATOM 788 CZ TYR A 55 0.872 -10.359 -1.255 1.00 0.00 C ATOM 789 OH TYR A 55 0.451 -11.344 -2.119 1.00 0.00 O ATOM 0 H TYR A 55 2.320 -8.608 4.007 1.00 0.00 H new ATOM 0 HA TYR A 55 4.161 -8.049 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.332 -6.952 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.520 -6.426 0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.503 -8.344 -0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.174 -8.648 1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.755 -10.101 -2.231 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.922 -10.408 -0.095 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.445 -11.645 -1.861 1.00 0.00 H new ATOM 799 N VAL A 56 4.491 -5.636 2.677 1.00 0.00 N ATOM 800 CA VAL A 56 4.971 -4.469 3.407 1.00 0.00 C ATOM 801 C VAL A 56 4.706 -3.186 2.628 1.00 0.00 C ATOM 802 O VAL A 56 5.295 -2.955 1.571 1.00 0.00 O ATOM 803 CB VAL A 56 6.478 -4.574 3.705 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.951 -3.368 4.503 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.786 -5.867 4.445 1.00 0.00 C ATOM 0 H VAL A 56 4.780 -5.670 1.699 1.00 0.00 H new ATOM 0 HA VAL A 56 4.424 -4.438 4.349 1.00 0.00 H new ATOM 0 HB VAL A 56 7.017 -4.587 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.018 -3.460 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.767 -2.458 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.407 -3.320 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.856 -5.925 4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.237 -5.887 5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.487 -6.717 3.832 1.00 0.00 H new ATOM 815 N LEU A 57 3.817 -2.352 3.157 1.00 0.00 N ATOM 816 CA LEU A 57 3.473 -1.090 2.512 1.00 0.00 C ATOM 817 C LEU A 57 4.402 0.028 2.974 1.00 0.00 C ATOM 818 O LEU A 57 4.225 0.589 4.055 1.00 0.00 O ATOM 819 CB LEU A 57 2.020 -0.719 2.814 1.00 0.00 C ATOM 820 CG LEU A 57 1.542 0.624 2.262 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.986 1.762 3.167 1.00 0.00 C ATOM 822 CD2 LEU A 57 2.059 0.834 0.846 1.00 0.00 C ATOM 0 H LEU A 57 3.321 -2.527 4.031 1.00 0.00 H new ATOM 0 HA LEU A 57 3.593 -1.216 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.376 -1.503 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.885 -0.714 3.896 1.00 0.00 H new ATOM 0 HG LEU A 57 0.452 0.615 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.637 2.710 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.566 1.620 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.074 1.773 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.709 1.795 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.149 0.822 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.690 0.036 0.202 1.00 0.00 H new ATOM 834 N SER A 58 5.391 0.349 2.146 1.00 0.00 N ATOM 835 CA SER A 58 6.349 1.399 2.470 1.00 0.00 C ATOM 836 C SER A 58 5.806 2.770 2.077 1.00 0.00 C ATOM 837 O SER A 58 5.450 3.002 0.921 1.00 0.00 O ATOM 838 CB SER A 58 7.679 1.143 1.759 1.00 0.00 C ATOM 839 OG SER A 58 8.130 -0.182 1.983 1.00 0.00 O ATOM 0 H SER A 58 5.550 -0.103 1.246 1.00 0.00 H new ATOM 0 HA SER A 58 6.513 1.387 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.562 1.315 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.428 1.851 2.115 1.00 0.00 H new ATOM 0 HG SER A 58 8.583 -0.231 2.851 1.00 0.00 H new ATOM 845 N VAL A 59 5.745 3.676 3.048 1.00 0.00 N ATOM 846 CA VAL A 59 5.247 5.024 2.805 1.00 0.00 C ATOM 847 C VAL A 59 6.272 6.073 3.221 1.00 0.00 C ATOM 848 O VAL A 59 6.965 5.913 4.226 1.00 0.00 O ATOM 849 CB VAL A 59 3.930 5.281 3.562 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.925 6.677 4.166 1.00 0.00 C ATOM 851 CG2 VAL A 59 2.738 5.087 2.637 1.00 0.00 C ATOM 0 H VAL A 59 6.034 3.500 4.010 1.00 0.00 H new ATOM 0 HA VAL A 59 5.064 5.105 1.734 1.00 0.00 H new ATOM 0 HB VAL A 59 3.851 4.559 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.987 6.840 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.758 6.775 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.027 7.417 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.816 5.272 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.808 5.784 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.735 4.065 2.257 1.00 0.00 H new ATOM 861 N SER A 60 6.363 7.146 2.442 1.00 0.00 N ATOM 862 CA SER A 60 7.307 8.220 2.728 1.00 0.00 C ATOM 863 C SER A 60 6.674 9.272 3.634 1.00 0.00 C ATOM 864 O SER A 60 5.707 9.931 3.255 1.00 0.00 O ATOM 865 CB SER A 60 7.782 8.870 1.427 1.00 0.00 C ATOM 866 OG SER A 60 8.974 9.608 1.632 1.00 0.00 O ATOM 0 H SER A 60 5.795 7.295 1.608 1.00 0.00 H new ATOM 0 HA SER A 60 8.165 7.789 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.952 8.101 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.004 9.529 1.041 1.00 0.00 H new ATOM 0 HG SER A 60 9.742 9.081 1.326 1.00 0.00 H new ATOM 872 N GLU A 61 7.229 9.423 4.833 1.00 0.00 N ATOM 873 CA GLU A 61 6.718 10.394 5.793 1.00 0.00 C ATOM 874 C GLU A 61 7.697 10.583 6.949 1.00 0.00 C ATOM 875 O GLU A 61 8.485 9.691 7.261 1.00 0.00 O ATOM 876 CB GLU A 61 5.358 9.946 6.331 1.00 0.00 C ATOM 877 CG GLU A 61 4.681 10.981 7.214 1.00 0.00 C ATOM 878 CD GLU A 61 4.622 12.351 6.567 1.00 0.00 C ATOM 879 OE1 GLU A 61 4.067 12.457 5.454 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.131 13.317 7.174 1.00 0.00 O ATOM 0 H GLU A 61 8.031 8.886 5.162 1.00 0.00 H new ATOM 0 HA GLU A 61 6.601 11.348 5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.703 9.713 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.487 9.025 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.669 10.649 7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.218 11.053 8.160 1.00 0.00 H new ATOM 887 N ASN A 62 7.641 11.752 7.579 1.00 0.00 N ATOM 888 CA ASN A 62 8.523 12.060 8.699 1.00 0.00 C ATOM 889 C ASN A 62 9.986 12.007 8.270 1.00 0.00 C ATOM 890 O ASN A 62 10.828 11.441 8.966 1.00 0.00 O ATOM 891 CB ASN A 62 8.282 11.080 9.849 1.00 0.00 C ATOM 892 CG ASN A 62 7.077 11.459 10.689 1.00 0.00 C ATOM 893 OD1 ASN A 62 6.976 12.585 11.177 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.156 10.518 10.861 1.00 0.00 N ATOM 0 H ASN A 62 6.994 12.501 7.333 1.00 0.00 H new ATOM 0 HA ASN A 62 8.299 13.071 9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.139 10.078 9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.167 11.044 10.484 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.323 10.715 11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.281 9.598 10.438 1.00 0.00 H new ATOM 901 N SER A 63 10.281 12.602 7.118 1.00 0.00 N ATOM 902 CA SER A 63 11.641 12.620 6.594 1.00 0.00 C ATOM 903 C SER A 63 12.276 11.236 6.681 1.00 0.00 C ATOM 904 O SER A 63 13.486 11.106 6.870 1.00 0.00 O ATOM 905 CB SER A 63 12.493 13.633 7.362 1.00 0.00 C ATOM 906 OG SER A 63 12.212 14.957 6.943 1.00 0.00 O ATOM 0 H SER A 63 9.596 13.078 6.530 1.00 0.00 H new ATOM 0 HA SER A 63 11.595 12.914 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.301 13.538 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.550 13.416 7.207 1.00 0.00 H new ATOM 0 HG SER A 63 12.768 15.585 7.450 1.00 0.00 H new ATOM 912 N ARG A 64 11.450 10.203 6.542 1.00 0.00 N ATOM 913 CA ARG A 64 11.929 8.828 6.606 1.00 0.00 C ATOM 914 C ARG A 64 11.047 7.906 5.769 1.00 0.00 C ATOM 915 O ARG A 64 10.101 8.353 5.122 1.00 0.00 O ATOM 916 CB ARG A 64 11.961 8.343 8.056 1.00 0.00 C ATOM 917 CG ARG A 64 10.593 8.317 8.719 1.00 0.00 C ATOM 918 CD ARG A 64 10.533 7.281 9.831 1.00 0.00 C ATOM 919 NE ARG A 64 9.571 7.645 10.867 1.00 0.00 N ATOM 920 CZ ARG A 64 9.851 8.467 11.873 1.00 0.00 C ATOM 921 NH1 ARG A 64 11.057 9.007 11.977 1.00 0.00 N ATOM 922 NH2 ARG A 64 8.922 8.750 12.778 1.00 0.00 N ATOM 0 H ARG A 64 10.446 10.293 6.384 1.00 0.00 H new ATOM 0 HA ARG A 64 12.940 8.803 6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.389 7.341 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.623 8.990 8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.366 9.302 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.830 8.096 7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.263 6.313 9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.521 7.170 10.277 1.00 0.00 H new ATOM 0 HE ARG A 64 8.633 7.247 10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.774 8.792 11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.268 9.638 12.750 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.993 8.336 12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.137 9.381 13.550 1.00 0.00 H new ATOM 936 N VAL A 65 11.366 6.615 5.786 1.00 0.00 N ATOM 937 CA VAL A 65 10.602 5.629 5.030 1.00 0.00 C ATOM 938 C VAL A 65 9.778 4.744 5.958 1.00 0.00 C ATOM 939 O VAL A 65 10.297 3.804 6.560 1.00 0.00 O ATOM 940 CB VAL A 65 11.525 4.740 4.176 1.00 0.00 C ATOM 941 CG1 VAL A 65 10.714 3.697 3.423 1.00 0.00 C ATOM 942 CG2 VAL A 65 12.341 5.590 3.213 1.00 0.00 C ATOM 0 H VAL A 65 12.148 6.228 6.315 1.00 0.00 H new ATOM 0 HA VAL A 65 9.932 6.183 4.372 1.00 0.00 H new ATOM 0 HB VAL A 65 12.215 4.219 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.383 3.078 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.178 3.069 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.999 4.195 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.988 4.946 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.669 6.139 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.952 6.295 3.777 1.00 0.00 H new ATOM 952 N SER A 66 8.489 5.050 6.068 1.00 0.00 N ATOM 953 CA SER A 66 7.592 4.283 6.925 1.00 0.00 C ATOM 954 C SER A 66 7.363 2.885 6.359 1.00 0.00 C ATOM 955 O SER A 66 7.245 2.705 5.147 1.00 0.00 O ATOM 956 CB SER A 66 6.254 5.009 7.077 1.00 0.00 C ATOM 957 OG SER A 66 6.340 6.040 8.046 1.00 0.00 O ATOM 0 H SER A 66 8.043 5.823 5.575 1.00 0.00 H new ATOM 0 HA SER A 66 8.059 4.187 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.955 5.431 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.481 4.297 7.367 1.00 0.00 H new ATOM 0 HG SER A 66 5.473 6.490 8.123 1.00 0.00 H new ATOM 963 N HIS A 67 7.302 1.897 7.247 1.00 0.00 N ATOM 964 CA HIS A 67 7.087 0.514 6.838 1.00 0.00 C ATOM 965 C HIS A 67 5.855 -0.070 7.522 1.00 0.00 C ATOM 966 O HIS A 67 5.930 -0.551 8.653 1.00 0.00 O ATOM 967 CB HIS A 67 8.317 -0.334 7.165 1.00 0.00 C ATOM 968 CG HIS A 67 9.519 0.010 6.342 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.606 -0.253 4.991 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.687 0.603 6.684 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.777 0.161 4.539 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.451 0.684 5.546 1.00 0.00 N ATOM 0 H HIS A 67 7.398 2.029 8.254 1.00 0.00 H new ATOM 0 HA HIS A 67 6.922 0.501 5.761 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.562 -0.211 8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.073 -1.386 7.015 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.966 0.948 7.669 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.123 0.084 3.519 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.388 1.084 5.488 1.00 0.00 H new ATOM 981 N TYR A 68 4.722 -0.023 6.829 1.00 0.00 N ATOM 982 CA TYR A 68 3.473 -0.545 7.371 1.00 0.00 C ATOM 983 C TYR A 68 3.214 -1.964 6.876 1.00 0.00 C ATOM 984 O TYR A 68 2.759 -2.167 5.750 1.00 0.00 O ATOM 985 CB TYR A 68 2.306 0.364 6.983 1.00 0.00 C ATOM 986 CG TYR A 68 2.418 1.766 7.539 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.421 1.992 8.910 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.522 2.863 6.693 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.523 3.271 9.422 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.625 4.146 7.197 1.00 0.00 C ATOM 991 CZ TYR A 68 2.625 4.344 8.562 1.00 0.00 C ATOM 992 OH TYR A 68 2.728 5.620 9.068 1.00 0.00 O ATOM 0 H TYR A 68 4.643 0.371 5.891 1.00 0.00 H new ATOM 0 HA TYR A 68 3.560 -0.570 8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.244 0.417 5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.376 -0.083 7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.342 1.154 9.587 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.522 2.711 5.624 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.523 3.430 10.490 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.705 4.988 6.526 1.00 0.00 H new ATOM 0 HH TYR A 68 2.793 6.261 8.329 1.00 0.00 H new ATOM 1002 N ILE A 69 3.507 -2.943 7.725 1.00 0.00 N ATOM 1003 CA ILE A 69 3.305 -4.343 7.375 1.00 0.00 C ATOM 1004 C ILE A 69 1.821 -4.666 7.234 1.00 0.00 C ATOM 1005 O ILE A 69 0.991 -4.157 7.988 1.00 0.00 O ATOM 1006 CB ILE A 69 3.925 -5.282 8.427 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.431 -5.034 8.539 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.646 -6.734 8.072 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.084 -5.786 9.677 1.00 0.00 C ATOM 0 H ILE A 69 3.885 -2.792 8.660 1.00 0.00 H new ATOM 0 HA ILE A 69 3.802 -4.504 6.418 1.00 0.00 H new ATOM 0 HB ILE A 69 3.468 -5.072 9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.909 -5.322 7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.606 -3.966 8.672 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.091 -7.385 8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.569 -6.900 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.078 -6.960 7.097 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.151 -5.563 9.696 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.633 -5.481 10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.940 -6.857 9.535 1.00 0.00 H new ATOM 1021 N ILE A 70 1.495 -5.516 6.266 1.00 0.00 N ATOM 1022 CA ILE A 70 0.112 -5.909 6.029 1.00 0.00 C ATOM 1023 C ILE A 70 -0.090 -7.397 6.295 1.00 0.00 C ATOM 1024 O ILE A 70 0.314 -8.241 5.496 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.323 -5.593 4.586 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.327 -4.081 4.350 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.698 -6.182 4.306 1.00 0.00 C ATOM 1028 CD1 ILE A 70 0.993 -3.545 3.843 1.00 0.00 C ATOM 0 H ILE A 70 2.170 -5.946 5.633 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.503 -5.332 6.720 1.00 0.00 H new ATOM 0 HB ILE A 70 0.392 -6.047 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.109 -3.836 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.581 -3.577 5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.992 -5.950 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.664 -7.263 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.424 -5.755 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.917 -2.467 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.776 -3.759 4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.239 -4.022 2.894 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.721 -7.710 7.422 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.978 -9.097 7.793 1.00 0.00 C ATOM 1042 C ASN A 71 -1.933 -9.757 6.802 1.00 0.00 C ATOM 1043 O ASN A 71 -2.890 -9.137 6.340 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.562 -9.169 9.206 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.599 -8.648 10.256 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.956 -7.800 11.074 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.628 -9.155 10.237 1.00 0.00 N ATOM 0 H ASN A 71 -1.063 -7.023 8.094 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.030 -9.635 7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.485 -8.591 9.245 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.823 -10.202 9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.319 -8.843 10.919 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.879 -9.856 9.540 1.00 0.00 H new ATOM 1054 N SER A 72 -1.664 -11.018 6.481 1.00 0.00 N ATOM 1055 CA SER A 72 -2.497 -11.762 5.543 1.00 0.00 C ATOM 1056 C SER A 72 -3.499 -12.642 6.285 1.00 0.00 C ATOM 1057 O SER A 72 -3.133 -13.662 6.870 1.00 0.00 O ATOM 1058 CB SER A 72 -1.626 -12.623 4.627 1.00 0.00 C ATOM 1059 OG SER A 72 -2.410 -13.283 3.648 1.00 0.00 O ATOM 0 H SER A 72 -0.876 -11.546 6.856 1.00 0.00 H new ATOM 0 HA SER A 72 -3.050 -11.043 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.879 -11.998 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.086 -13.360 5.221 1.00 0.00 H new ATOM 0 HG SER A 72 -1.829 -13.825 3.075 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.764 -12.238 6.257 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.821 -12.989 6.927 1.00 0.00 C ATOM 1067 C LEU A 73 -6.251 -14.189 6.090 1.00 0.00 C ATOM 1068 O LEU A 73 -6.181 -14.177 4.861 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.024 -12.083 7.196 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.726 -10.767 7.915 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.991 -9.933 8.048 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.114 -11.033 9.283 1.00 0.00 C ATOM 0 H LEU A 73 -5.083 -11.396 5.778 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.428 -13.354 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.501 -11.853 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.749 -12.641 7.788 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.006 -10.205 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.759 -9.000 8.562 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.387 -9.712 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.734 -10.488 8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.909 -10.085 9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.810 -11.616 9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.184 -11.589 9.164 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.709 -15.251 6.769 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.162 -16.478 6.108 1.00 0.00 C ATOM 1086 C PRO A 74 -8.468 -16.279 5.347 1.00 0.00 C ATOM 1087 O PRO A 74 -8.861 -17.118 4.538 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.365 -17.453 7.270 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.628 -16.585 8.452 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.821 -15.335 8.235 1.00 0.00 C ATOM 0 HA PRO A 74 -6.448 -16.825 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.201 -18.127 7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.483 -18.075 7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.690 -16.354 8.538 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.334 -17.084 9.376 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.318 -14.459 8.651 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.842 -15.401 8.710 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.137 -15.161 5.611 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.400 -14.851 4.951 1.00 0.00 C ATOM 1100 C ASN A 75 -10.170 -13.982 3.718 1.00 0.00 C ATOM 1101 O ASN A 75 -10.925 -13.045 3.457 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.346 -14.140 5.921 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.627 -13.129 6.793 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.501 -12.728 6.498 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.276 -12.712 7.873 1.00 0.00 N ATOM 0 H ASN A 75 -8.825 -14.455 6.278 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.855 -15.789 4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.130 -13.636 5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.835 -14.880 6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.843 -12.032 8.498 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.208 -13.072 8.078 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.123 -14.300 2.963 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.793 -13.549 1.758 1.00 0.00 C ATOM 1114 C ARG A 76 -8.875 -12.047 2.015 1.00 0.00 C ATOM 1115 O ARG A 76 -9.332 -11.285 1.162 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.736 -13.934 0.617 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.780 -15.428 0.342 1.00 0.00 C ATOM 1118 CD ARG A 76 -10.841 -16.119 1.184 1.00 0.00 C ATOM 1119 NE ARG A 76 -12.170 -16.011 0.587 1.00 0.00 N ATOM 1120 CZ ARG A 76 -13.297 -16.058 1.289 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -13.256 -16.209 2.606 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -14.468 -15.952 0.674 1.00 0.00 N ATOM 0 H ARG A 76 -8.489 -15.073 3.165 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.770 -13.797 1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.742 -13.587 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.426 -13.415 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.985 -15.599 -0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.805 -15.867 0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.581 -17.171 1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.855 -15.680 2.181 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.236 -15.893 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.358 -16.289 3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.123 -16.245 3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.503 -15.834 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.333 -15.988 1.214 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.430 -11.628 3.195 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.454 -10.218 3.565 1.00 0.00 C ATOM 1138 C ARG A 77 -7.111 -9.784 4.144 1.00 0.00 C ATOM 1139 O ARG A 77 -6.390 -10.588 4.736 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.568 -9.954 4.579 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.930 -9.728 3.944 1.00 0.00 C ATOM 1142 CD ARG A 77 -12.032 -9.679 4.990 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.323 -9.320 4.410 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.483 -9.486 5.036 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.512 -10.002 6.257 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.616 -9.135 4.442 1.00 0.00 N ATOM 0 H ARG A 77 -8.048 -12.245 3.912 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.646 -9.635 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.632 -10.800 5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.305 -9.080 5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.920 -8.795 3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.138 -10.527 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.112 -10.650 5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.768 -8.956 5.761 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.335 -8.919 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.643 -10.272 6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.404 -10.129 6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.598 -8.737 3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.506 -9.263 4.924 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.781 -8.509 3.968 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.523 -7.969 4.472 1.00 0.00 C ATOM 1162 C PHE A 78 -5.759 -7.100 5.703 1.00 0.00 C ATOM 1163 O PHE A 78 -6.716 -6.326 5.758 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.823 -7.152 3.384 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.270 -7.990 2.267 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -3.232 -8.879 2.499 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.788 -7.890 0.986 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.721 -9.651 1.472 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.281 -8.660 -0.044 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.247 -9.542 0.200 1.00 0.00 C ATOM 0 H PHE A 78 -7.366 -7.831 3.481 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.885 -8.806 4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.529 -6.431 2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.011 -6.581 3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.818 -8.970 3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.597 -7.202 0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.911 -10.339 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.693 -8.572 -1.038 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.850 -10.146 -0.603 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.881 -7.233 6.691 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.991 -6.461 7.923 1.00 0.00 C ATOM 1182 C LYS A 79 -3.712 -5.672 8.187 1.00 0.00 C ATOM 1183 O LYS A 79 -2.698 -6.236 8.598 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.285 -7.387 9.105 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.356 -6.666 10.440 1.00 0.00 C ATOM 1186 CD LYS A 79 -5.152 -7.622 11.603 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.591 -7.001 12.920 1.00 0.00 C ATOM 1188 NZ LYS A 79 -6.031 -8.032 13.900 1.00 0.00 N ATOM 0 H LYS A 79 -4.084 -7.869 6.662 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.814 -5.756 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.231 -7.899 8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.512 -8.153 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.597 -5.885 10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.324 -6.174 10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.716 -8.538 11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.100 -7.902 11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.767 -6.426 13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.407 -6.302 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.322 -7.569 14.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.834 -8.564 13.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.245 -8.685 14.094 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.769 -4.366 7.950 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.615 -3.500 8.165 1.00 0.00 C ATOM 1204 C ILE A 80 -2.696 -2.803 9.519 1.00 0.00 C ATOM 1205 O ILE A 80 -3.457 -1.852 9.694 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.496 -2.436 7.058 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.388 -1.437 7.398 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -3.824 -1.719 6.868 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -0.912 -0.635 6.208 1.00 0.00 C ATOM 0 H ILE A 80 -4.601 -3.884 7.609 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.732 -4.138 8.140 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.237 -2.933 6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.750 -0.753 8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.542 -1.976 7.824 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.724 -0.970 6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.590 -2.441 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.111 -1.231 7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.127 0.052 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.520 -1.310 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.746 -0.068 5.794 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.905 -3.282 10.474 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.901 -2.691 11.799 1.00 0.00 C ATOM 1223 C GLY A 81 -3.101 -3.110 12.624 1.00 0.00 C ATOM 1224 O GLY A 81 -3.204 -4.264 13.042 1.00 0.00 O ATOM 0 H GLY A 81 -1.267 -4.069 10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.988 -2.979 12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.887 -1.605 11.709 1.00 0.00 H new ATOM 1228 N ASP A 82 -4.011 -2.172 12.862 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.210 -2.449 13.643 1.00 0.00 C ATOM 1230 C ASP A 82 -6.465 -2.266 12.796 1.00 0.00 C ATOM 1231 O ASP A 82 -7.535 -1.950 13.316 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.269 -1.536 14.868 1.00 0.00 C ATOM 1233 CG ASP A 82 -4.101 -1.753 15.810 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -4.216 -2.613 16.708 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -3.072 -1.064 15.649 1.00 0.00 O ATOM 0 H ASP A 82 -3.941 -1.212 12.525 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.166 -3.486 13.975 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.280 -0.496 14.542 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.202 -1.712 15.404 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.326 -2.466 11.489 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.448 -2.321 10.570 1.00 0.00 C ATOM 1242 C GLN A 83 -7.507 -3.491 9.594 1.00 0.00 C ATOM 1243 O GLN A 83 -6.528 -4.215 9.419 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.338 -1.003 9.801 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.649 0.222 10.644 1.00 0.00 C ATOM 1246 CD GLN A 83 -9.098 0.271 11.090 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -9.943 -0.462 10.576 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -9.393 1.139 12.051 1.00 0.00 N ATOM 0 H GLN A 83 -5.447 -2.729 11.043 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.367 -2.315 11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.329 -0.910 9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.019 -1.031 8.950 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.002 0.228 11.521 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.418 1.120 10.072 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.661 1.727 12.449 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.351 1.217 12.391 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.662 -3.669 8.960 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.848 -4.752 8.002 1.00 0.00 C ATOM 1259 C GLU A 84 -9.630 -4.272 6.782 1.00 0.00 C ATOM 1260 O GLU A 84 -10.586 -3.507 6.906 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.577 -5.925 8.660 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.834 -6.517 9.845 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.611 -7.627 10.526 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.858 -7.587 10.490 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -8.970 -8.535 11.096 1.00 0.00 O ATOM 0 H GLU A 84 -9.482 -3.077 9.093 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.863 -5.084 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.561 -5.591 8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.737 -6.705 7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.872 -6.905 9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.624 -5.729 10.568 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.215 -4.727 5.605 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.875 -4.344 4.362 1.00 0.00 C ATOM 1274 C PHE A 85 -10.224 -5.574 3.529 1.00 0.00 C ATOM 1275 O PHE A 85 -9.860 -6.697 3.878 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.978 -3.404 3.553 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.619 -2.142 4.283 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.499 -1.072 4.319 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.401 -2.025 4.934 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.170 0.091 4.990 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.067 -0.865 5.607 1.00 0.00 C ATOM 1282 CZ PHE A 85 -7.954 0.194 5.635 1.00 0.00 C ATOM 0 H PHE A 85 -8.425 -5.361 5.485 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.799 -3.825 4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.063 -3.931 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.483 -3.145 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.452 -1.148 3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.705 -2.850 4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.864 0.918 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.115 -0.786 6.110 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.696 1.101 6.161 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.933 -5.353 2.428 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.332 -6.443 1.544 1.00 0.00 C ATOM 1294 C ASP A 86 -10.123 -7.024 0.818 1.00 0.00 C ATOM 1295 O ASP A 86 -10.046 -8.231 0.586 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.366 -5.952 0.529 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.250 -7.071 0.017 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.621 -7.950 0.822 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -13.572 -7.069 -1.190 1.00 0.00 O ATOM 0 H ASP A 86 -11.243 -4.430 2.126 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.778 -7.228 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.987 -5.184 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.853 -5.485 -0.311 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.182 -6.157 0.460 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.976 -6.584 -0.242 1.00 0.00 C ATOM 1306 C HIS A 87 -6.966 -5.443 -0.330 1.00 0.00 C ATOM 1307 O HIS A 87 -7.177 -4.368 0.233 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.325 -7.081 -1.644 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.464 -6.341 -2.276 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.339 -5.071 -2.799 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.755 -6.700 -2.468 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.504 -4.680 -3.284 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.380 -5.650 -3.096 1.00 0.00 N ATOM 0 H HIS A 87 -9.231 -5.155 0.644 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.527 -7.401 0.323 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.446 -6.991 -2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.575 -8.141 -1.593 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.209 -7.637 -2.181 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.706 -3.729 -3.754 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.362 -5.624 -3.372 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.869 -5.685 -1.039 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.825 -4.679 -1.200 1.00 0.00 C ATOM 1324 C LEU A 88 -5.396 -3.392 -1.787 1.00 0.00 C ATOM 1325 O LEU A 88 -5.338 -2.324 -1.178 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.710 -5.213 -2.101 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.510 -5.836 -1.386 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.558 -6.466 -2.391 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.789 -4.793 -0.546 1.00 0.00 C ATOM 0 H LEU A 88 -5.679 -6.569 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.413 -4.457 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.137 -5.960 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.351 -4.395 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.874 -6.619 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.710 -6.904 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.080 -7.244 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.200 -5.702 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.938 -5.254 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.437 -3.987 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.474 -4.389 0.199 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.964 -3.494 -2.998 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.559 -2.349 -3.693 1.00 0.00 C ATOM 1343 C PRO A 89 -7.842 -1.868 -3.024 1.00 0.00 C ATOM 1344 O PRO A 89 -8.615 -1.114 -3.613 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.857 -2.897 -5.090 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.008 -4.367 -4.896 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.068 -4.736 -3.783 1.00 0.00 C ATOM 0 HA PRO A 89 -5.897 -1.483 -3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.765 -2.457 -5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.048 -2.670 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.036 -4.623 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.763 -4.908 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.458 -5.559 -3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.097 -5.052 -4.165 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.062 -2.310 -1.790 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.250 -1.922 -1.040 1.00 0.00 C ATOM 1357 C ALA A 90 -8.882 -1.075 0.173 1.00 0.00 C ATOM 1358 O ALA A 90 -9.698 -0.298 0.671 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.028 -3.157 -0.608 1.00 0.00 C ATOM 0 H ALA A 90 -7.433 -2.937 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.880 -1.319 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.913 -2.853 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.332 -3.722 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.397 -3.782 0.024 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.651 -1.231 0.645 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.174 -0.480 1.802 1.00 0.00 C ATOM 1367 C LEU A 91 -6.584 0.860 1.376 1.00 0.00 C ATOM 1368 O LEU A 91 -6.816 1.885 2.018 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.127 -1.292 2.566 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.781 -1.481 1.864 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.826 -0.356 2.231 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.179 -2.832 2.221 1.00 0.00 C ATOM 0 H LEU A 91 -6.964 -1.870 0.245 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.025 -0.290 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.949 -0.806 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.544 -2.276 2.779 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.947 -1.453 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.874 -0.507 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.254 0.599 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.665 -0.352 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.222 -2.950 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.027 -2.889 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.856 -3.626 1.907 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.821 0.845 0.288 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.199 2.060 -0.226 1.00 0.00 C ATOM 1386 C LEU A 92 -6.248 3.129 -0.516 1.00 0.00 C ATOM 1387 O LEU A 92 -6.006 4.319 -0.318 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.404 1.752 -1.496 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.347 0.653 -1.376 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.912 0.178 -2.754 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.150 1.149 -0.578 1.00 0.00 C ATOM 0 H LEU A 92 -5.619 0.005 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.520 2.441 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.106 1.469 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.912 2.668 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.787 -0.191 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.160 -0.604 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.774 -0.218 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.490 1.015 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.408 0.354 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.709 2.010 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.474 1.439 0.422 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.414 2.695 -0.985 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.500 3.615 -1.301 1.00 0.00 C ATOM 1405 C GLU A 93 -9.130 4.170 -0.027 1.00 0.00 C ATOM 1406 O GLU A 93 -9.583 5.315 0.007 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.565 2.911 -2.145 1.00 0.00 C ATOM 1408 CG GLU A 93 -9.055 2.434 -3.494 1.00 0.00 C ATOM 1409 CD GLU A 93 -8.903 3.565 -4.493 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -9.937 4.099 -4.946 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -7.750 3.915 -4.822 1.00 0.00 O ATOM 0 H GLU A 93 -7.630 1.713 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.085 4.445 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.951 2.056 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.401 3.593 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.092 1.940 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.742 1.689 -3.896 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.156 3.351 1.019 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.731 3.759 2.296 1.00 0.00 C ATOM 1420 C PHE A 94 -8.788 4.698 3.042 1.00 0.00 C ATOM 1421 O PHE A 94 -9.218 5.484 3.888 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.035 2.532 3.158 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.142 2.755 4.148 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.467 2.614 3.769 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.857 3.104 5.458 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.488 2.819 4.678 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.874 3.310 6.372 1.00 0.00 C ATOM 1428 CZ PHE A 94 -13.191 3.166 5.982 1.00 0.00 C ATOM 0 H PHE A 94 -8.786 2.401 1.008 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.660 4.291 2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.302 1.698 2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.132 2.242 3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.705 2.341 2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.829 3.216 5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.517 2.708 4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.639 3.583 7.390 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.987 3.324 6.695 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.502 4.611 2.724 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.497 5.450 3.366 1.00 0.00 C ATOM 1440 C TYR A 95 -6.474 6.843 2.746 1.00 0.00 C ATOM 1441 O TYR A 95 -5.966 7.793 3.342 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.114 4.805 3.250 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.763 3.912 4.419 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -4.954 4.340 5.727 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.239 2.642 4.215 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -4.634 3.528 6.798 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -3.917 1.822 5.280 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.116 2.270 6.569 1.00 0.00 C ATOM 1449 OH TYR A 95 -3.796 1.458 7.632 1.00 0.00 O ATOM 0 H TYR A 95 -7.130 3.968 2.025 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.759 5.545 4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.071 4.220 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.362 5.590 3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.360 5.324 5.910 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.080 2.289 3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.788 3.876 7.809 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.512 0.836 5.104 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.386 1.661 8.388 1.00 0.00 H new ATOM 1459 N LYS A 96 -7.029 6.958 1.544 1.00 0.00 N ATOM 1460 CA LYS A 96 -7.075 8.235 0.841 1.00 0.00 C ATOM 1461 C LYS A 96 -7.694 9.317 1.719 1.00 0.00 C ATOM 1462 O LYS A 96 -7.481 10.509 1.494 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.875 8.097 -0.457 1.00 0.00 C ATOM 1464 CG LYS A 96 -7.156 7.301 -1.532 1.00 0.00 C ATOM 1465 CD LYS A 96 -8.039 7.086 -2.750 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.211 6.823 -3.999 1.00 0.00 C ATOM 1467 NZ LYS A 96 -7.978 7.109 -5.243 1.00 0.00 N ATOM 0 H LYS A 96 -7.453 6.182 1.036 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.052 8.527 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.828 7.616 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.101 9.091 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.247 7.825 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.850 6.336 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.708 6.244 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.666 7.964 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.313 7.440 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.883 5.783 -4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.833 6.338 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.990 7.185 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.647 8.004 -5.657 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.460 8.895 2.720 1.00 0.00 N ATOM 1482 CA ILE A 97 -9.107 9.829 3.633 1.00 0.00 C ATOM 1483 C ILE A 97 -8.506 9.736 5.032 1.00 0.00 C ATOM 1484 O ILE A 97 -8.414 10.734 5.747 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.623 9.573 3.719 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.896 8.182 4.295 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -11.263 9.720 2.347 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.348 7.947 4.645 1.00 0.00 C ATOM 0 H ILE A 97 -8.647 7.912 2.919 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.938 10.829 3.234 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.065 10.314 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.579 7.430 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.288 8.042 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.335 9.536 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.094 10.730 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.820 9.000 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.467 6.941 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.665 8.676 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.960 8.054 3.749 1.00 0.00 H new ATOM 1500 N HIS A 98 -8.098 8.530 5.415 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.504 8.306 6.728 1.00 0.00 C ATOM 1502 C HIS A 98 -5.987 8.465 6.672 1.00 0.00 C ATOM 1503 O HIS A 98 -5.321 7.866 5.828 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.864 6.912 7.243 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.273 6.801 7.738 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -9.863 5.599 8.065 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.210 7.752 7.962 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.103 5.815 8.467 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.338 7.114 8.415 1.00 0.00 N ATOM 0 H HIS A 98 -8.168 7.694 4.835 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.905 9.053 7.413 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.711 6.188 6.443 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.182 6.645 8.050 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.092 8.815 7.812 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -11.805 5.058 8.784 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.215 7.569 8.670 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.449 9.276 7.576 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.012 9.516 7.628 1.00 0.00 C ATOM 1520 C TYR A 99 -3.308 8.436 8.444 1.00 0.00 C ATOM 1521 O TYR A 99 -3.507 8.327 9.655 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.725 10.893 8.229 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.353 12.033 7.458 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.725 12.249 7.494 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.574 12.892 6.693 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.303 13.288 6.791 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.143 13.935 5.988 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.508 14.129 6.040 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.079 15.165 5.338 1.00 0.00 O ATOM 0 H TYR A 99 -5.986 9.778 8.283 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.627 9.484 6.609 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.090 10.915 9.256 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.646 11.044 8.271 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.350 11.593 8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.505 12.742 6.649 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.371 13.441 6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.523 14.595 5.399 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.381 15.662 4.863 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.483 7.640 7.773 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.748 6.568 8.434 1.00 0.00 C ATOM 1541 C LEU A 100 -1.145 7.051 9.749 1.00 0.00 C ATOM 1542 O LEU A 100 -1.489 6.554 10.821 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.643 6.040 7.517 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.080 5.617 6.114 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.776 6.714 5.106 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -0.398 4.317 5.712 1.00 0.00 C ATOM 0 H LEU A 100 -2.306 7.717 6.771 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.448 5.761 8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.121 6.811 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.173 5.185 8.003 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.157 5.451 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.094 6.395 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.311 7.622 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.296 6.913 5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.721 4.031 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.683 4.456 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.667 3.531 6.418 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.245 8.024 9.658 1.00 0.00 N ATOM 1559 CA ASP A 101 0.404 8.578 10.841 1.00 0.00 C ATOM 1560 C ASP A 101 0.279 10.098 10.868 1.00 0.00 C ATOM 1561 O ASP A 101 -0.364 10.664 11.753 1.00 0.00 O ATOM 1562 CB ASP A 101 1.879 8.174 10.876 1.00 0.00 C ATOM 1563 CG ASP A 101 2.107 6.880 11.631 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.259 5.970 11.518 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.132 6.777 12.337 1.00 0.00 O ATOM 0 H ASP A 101 0.052 8.445 8.778 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.096 8.175 11.722 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.247 8.066 9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.460 8.970 11.342 1.00 0.00 H new ATOM 1570 N THR A 102 0.899 10.755 9.892 1.00 0.00 N ATOM 1571 CA THR A 102 0.859 12.209 9.805 1.00 0.00 C ATOM 1572 C THR A 102 0.480 12.666 8.401 1.00 0.00 C ATOM 1573 O THR A 102 0.297 13.858 8.152 1.00 0.00 O ATOM 1574 CB THR A 102 2.216 12.832 10.186 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.082 14.251 10.325 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.270 12.518 9.135 1.00 0.00 C ATOM 0 H THR A 102 1.435 10.303 9.151 1.00 0.00 H new ATOM 0 HA THR A 102 0.101 12.547 10.511 1.00 0.00 H new ATOM 0 HB THR A 102 2.534 12.403 11.136 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.476 14.592 9.634 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.219 12.968 9.426 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.391 11.438 9.052 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.956 12.923 8.173 1.00 0.00 H new ATOM 1584 N THR A 103 0.363 11.710 7.484 1.00 0.00 N ATOM 1585 CA THR A 103 0.006 12.014 6.104 1.00 0.00 C ATOM 1586 C THR A 103 -0.817 10.888 5.488 1.00 0.00 C ATOM 1587 O THR A 103 -0.957 9.814 6.075 1.00 0.00 O ATOM 1588 CB THR A 103 1.258 12.252 5.239 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.892 12.896 4.014 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.965 10.939 4.937 1.00 0.00 C ATOM 0 H THR A 103 0.510 10.719 7.673 1.00 0.00 H new ATOM 0 HA THR A 103 -0.590 12.926 6.126 1.00 0.00 H new ATOM 0 HB THR A 103 1.941 12.894 5.796 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.694 13.045 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.846 11.133 4.325 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.269 10.466 5.871 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.287 10.276 4.398 1.00 0.00 H new ATOM 1598 N THR A 104 -1.359 11.138 4.301 1.00 0.00 N ATOM 1599 CA THR A 104 -2.168 10.146 3.605 1.00 0.00 C ATOM 1600 C THR A 104 -1.474 9.661 2.338 1.00 0.00 C ATOM 1601 O THR A 104 -0.385 10.126 1.996 1.00 0.00 O ATOM 1602 CB THR A 104 -3.553 10.710 3.235 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.427 12.065 2.790 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.499 10.646 4.424 1.00 0.00 C ATOM 0 H THR A 104 -1.252 12.020 3.801 1.00 0.00 H new ATOM 0 HA THR A 104 -2.297 9.307 4.289 1.00 0.00 H new ATOM 0 HB THR A 104 -3.966 10.101 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.311 12.416 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.470 11.050 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.616 9.610 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.090 11.233 5.246 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.109 8.723 1.643 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.552 8.175 0.411 1.00 0.00 C ATOM 1614 C LEU A 105 -1.843 9.091 -0.773 1.00 0.00 C ATOM 1615 O LEU A 105 -3.000 9.400 -1.062 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.124 6.781 0.146 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.746 5.697 1.155 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.380 4.368 0.774 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.234 5.561 1.251 1.00 0.00 C ATOM 0 H LEU A 105 -3.010 8.326 1.912 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.471 8.101 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.211 6.856 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.798 6.458 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.127 5.990 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.100 3.609 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.465 4.473 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.031 4.068 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.016 4.785 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.170 5.292 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.197 6.509 1.573 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.787 9.520 -1.457 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.931 10.397 -2.612 1.00 0.00 C ATOM 1633 C ILE A 106 -0.813 9.614 -3.915 1.00 0.00 C ATOM 1634 O ILE A 106 -1.777 9.502 -4.672 1.00 0.00 O ATOM 1635 CB ILE A 106 0.126 11.518 -2.602 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.023 12.334 -1.312 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.043 12.415 -3.819 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.249 13.146 -1.210 1.00 0.00 C ATOM 0 H ILE A 106 0.177 9.274 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.923 10.843 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 106 1.116 11.065 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.082 11.658 -0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.879 13.005 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.711 13.202 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.075 11.823 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.036 12.863 -3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.254 13.699 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.301 13.847 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.110 12.479 -1.243 1.00 0.00 H new ATOM 1650 N GLU A 107 0.374 9.072 -4.169 1.00 0.00 N ATOM 1651 CA GLU A 107 0.616 8.299 -5.381 1.00 0.00 C ATOM 1652 C GLU A 107 1.772 7.322 -5.180 1.00 0.00 C ATOM 1653 O GLU A 107 2.693 7.562 -4.399 1.00 0.00 O ATOM 1654 CB GLU A 107 0.920 9.231 -6.555 1.00 0.00 C ATOM 1655 CG GLU A 107 2.324 9.809 -6.527 1.00 0.00 C ATOM 1656 CD GLU A 107 3.328 8.940 -7.261 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.930 8.275 -8.241 1.00 0.00 O ATOM 1658 OE2 GLU A 107 4.509 8.925 -6.857 1.00 0.00 O ATOM 0 H GLU A 107 1.182 9.154 -3.552 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.286 7.729 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.780 8.684 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.200 10.049 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.313 10.802 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.642 9.930 -5.492 1.00 0.00 H new ATOM 1665 N PRO A 108 1.723 6.193 -5.902 1.00 0.00 N ATOM 1666 CA PRO A 108 2.757 5.157 -5.822 1.00 0.00 C ATOM 1667 C PRO A 108 4.079 5.608 -6.435 1.00 0.00 C ATOM 1668 O PRO A 108 4.099 6.259 -7.479 1.00 0.00 O ATOM 1669 CB PRO A 108 2.162 3.998 -6.627 1.00 0.00 C ATOM 1670 CG PRO A 108 1.213 4.645 -7.575 1.00 0.00 C ATOM 1671 CD PRO A 108 0.655 5.840 -6.853 1.00 0.00 C ATOM 0 HA PRO A 108 2.996 4.899 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.937 3.445 -7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.651 3.287 -5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.721 4.945 -8.491 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.418 3.957 -7.862 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.440 6.660 -7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.277 5.601 -6.340 1.00 0.00 H new ATOM 1679 N ALA A 109 5.180 5.256 -5.780 1.00 0.00 N ATOM 1680 CA ALA A 109 6.506 5.623 -6.262 1.00 0.00 C ATOM 1681 C ALA A 109 6.727 5.130 -7.688 1.00 0.00 C ATOM 1682 O ALA A 109 6.015 4.258 -8.187 1.00 0.00 O ATOM 1683 CB ALA A 109 7.577 5.066 -5.336 1.00 0.00 C ATOM 0 H ALA A 109 5.180 4.717 -4.914 1.00 0.00 H new ATOM 0 HA ALA A 109 6.576 6.711 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.562 5.348 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.438 5.471 -4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.499 3.979 -5.302 1.00 0.00 H new ATOM 1689 N PRO A 110 7.738 5.699 -8.362 1.00 0.00 N ATOM 1690 CA PRO A 110 8.076 5.332 -9.740 1.00 0.00 C ATOM 1691 C PRO A 110 8.670 3.931 -9.838 1.00 0.00 C ATOM 1692 O PRO A 110 9.338 3.464 -8.915 1.00 0.00 O ATOM 1693 CB PRO A 110 9.114 6.382 -10.143 1.00 0.00 C ATOM 1694 CG PRO A 110 9.724 6.824 -8.857 1.00 0.00 C ATOM 1695 CD PRO A 110 8.628 6.744 -7.830 1.00 0.00 C ATOM 0 HA PRO A 110 7.197 5.313 -10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.864 5.961 -10.813 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.650 7.216 -10.669 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.563 6.185 -8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.110 7.840 -8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.017 6.478 -6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.109 7.696 -7.721 1.00 0.00 H new