USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 742 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 89 ASN : amide:sc= -0.0807 X(o=-0.16,f=-0.16) USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= -0.0768 USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0.328 USER MOD Set 2.2: A 51 THR OG1 : rot -82:sc= 0.349 USER MOD Single : A 13 MET CE :methyl 165:sc= -3.01! (180deg=-3.53!) USER MOD Single : A 22 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.59) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0518) USER MOD Single : A 31 GLN : amide:sc= -5.96! C(o=-6!,f=-2.7!) USER MOD Single : A 34 ASN : amide:sc= -1.88! C(o=-1.9!,f=-6.7!) USER MOD Single : A 35 MET CE :methyl -112:sc= -0.296 (180deg=-3.41!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0375 USER MOD Single : A 57 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.83) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 0.0363 (180deg=0.0356) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0337) USER MOD Single : A 66 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.13) USER MOD Single : A 69 THR OG1 : rot -53:sc= 1.14 USER MOD Single : A 71 MET CE :methyl -148:sc= -0.387 (180deg=-3.53!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.77 K(o=-1.8,f=-7.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.262 K(o=0.26,f=-1) USER MOD Single : A 80 TYR OH : rot -31:sc= 0.0135 USER MOD Single : A 86 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.847) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.01 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -6.15! C(o=-6.1!,f=-5.9!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N MET A 13 -14.764 14.419 3.277 1.00 0.00 N ATOM 138 CA MET A 13 -15.632 14.285 2.112 1.00 0.00 C ATOM 139 C MET A 13 -15.753 12.825 1.689 1.00 0.00 C ATOM 140 O MET A 13 -14.973 11.967 2.102 1.00 0.00 O ATOM 141 CB MET A 13 -15.094 15.122 0.950 1.00 0.00 C ATOM 142 CG MET A 13 -15.758 16.483 0.822 1.00 0.00 C ATOM 143 SD MET A 13 -15.708 17.125 -0.862 1.00 0.00 S ATOM 144 CE MET A 13 -14.030 16.712 -1.332 1.00 0.00 C ATOM 0 HA MET A 13 -16.623 14.649 2.384 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.021 15.261 1.080 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.234 14.570 0.020 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.796 16.409 1.148 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.264 17.188 1.490 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.924 16.797 -2.413 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.336 17.397 -0.844 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.807 15.690 -1.025 1.00 0.00 H new ATOM 154 N PRO A 14 -16.756 12.533 0.847 1.00 0.00 N ATOM 155 CA PRO A 14 -17.003 11.176 0.350 1.00 0.00 C ATOM 156 C PRO A 14 -15.922 10.708 -0.618 1.00 0.00 C ATOM 157 O PRO A 14 -14.898 11.370 -0.786 1.00 0.00 O ATOM 158 CB PRO A 14 -18.348 11.302 -0.370 1.00 0.00 C ATOM 159 CG PRO A 14 -18.434 12.735 -0.765 1.00 0.00 C ATOM 160 CD PRO A 14 -17.725 13.506 0.314 1.00 0.00 C ATOM 0 HA PRO A 14 -17.002 10.440 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.393 10.648 -1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.174 11.021 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.966 12.901 -1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.473 13.054 -0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.228 14.391 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.416 13.848 1.084 1.00 0.00 H new ATOM 168 N GLU A 15 -16.157 9.564 -1.253 1.00 0.00 N ATOM 169 CA GLU A 15 -15.202 9.008 -2.204 1.00 0.00 C ATOM 170 C GLU A 15 -15.398 9.617 -3.590 1.00 0.00 C ATOM 171 O GLU A 15 -14.431 9.892 -4.300 1.00 0.00 O ATOM 172 CB GLU A 15 -15.349 7.487 -2.278 1.00 0.00 C ATOM 173 CG GLU A 15 -14.141 6.788 -2.878 1.00 0.00 C ATOM 174 CD GLU A 15 -14.253 5.276 -2.820 1.00 0.00 C ATOM 175 OE1 GLU A 15 -13.995 4.703 -1.741 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.599 4.667 -3.853 1.00 0.00 O ATOM 0 H GLU A 15 -17.000 9.004 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.198 9.252 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.522 7.098 -1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.231 7.244 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.023 7.100 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.243 7.103 -2.347 1.00 0.00 H new ATOM 183 N GLU A 16 -16.656 9.824 -3.967 1.00 0.00 N ATOM 184 CA GLU A 16 -16.978 10.398 -5.268 1.00 0.00 C ATOM 185 C GLU A 16 -16.442 11.823 -5.381 1.00 0.00 C ATOM 186 O GLU A 16 -15.625 12.121 -6.251 1.00 0.00 O ATOM 187 CB GLU A 16 -18.491 10.392 -5.492 1.00 0.00 C ATOM 188 CG GLU A 16 -18.889 10.276 -6.954 1.00 0.00 C ATOM 189 CD GLU A 16 -18.826 11.604 -7.683 1.00 0.00 C ATOM 190 OE1 GLU A 16 -19.833 12.343 -7.660 1.00 0.00 O ATOM 191 OE2 GLU A 16 -17.769 11.905 -8.277 1.00 0.00 O ATOM 0 H GLU A 16 -17.468 9.603 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.502 9.787 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.929 9.562 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.914 11.308 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.232 9.562 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.901 9.877 -7.021 1.00 0.00 H new ATOM 198 N GLU A 17 -16.910 12.697 -4.496 1.00 0.00 N ATOM 199 CA GLU A 17 -16.479 14.090 -4.497 1.00 0.00 C ATOM 200 C GLU A 17 -14.964 14.191 -4.353 1.00 0.00 C ATOM 201 O GLU A 17 -14.294 14.841 -5.157 1.00 0.00 O ATOM 202 CB GLU A 17 -17.162 14.860 -3.365 1.00 0.00 C ATOM 203 CG GLU A 17 -18.678 14.749 -3.382 1.00 0.00 C ATOM 204 CD GLU A 17 -19.301 15.456 -4.570 1.00 0.00 C ATOM 205 OE1 GLU A 17 -19.426 14.823 -5.639 1.00 0.00 O ATOM 206 OE2 GLU A 17 -19.665 16.642 -4.430 1.00 0.00 O ATOM 0 H GLU A 17 -17.587 12.465 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.766 14.531 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.790 14.491 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.882 15.911 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.961 13.697 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.080 15.171 -2.461 1.00 0.00 H new ATOM 213 N PHE A 18 -14.429 13.543 -3.324 1.00 0.00 N ATOM 214 CA PHE A 18 -12.992 13.561 -3.072 1.00 0.00 C ATOM 215 C PHE A 18 -12.210 13.511 -4.382 1.00 0.00 C ATOM 216 O PHE A 18 -11.448 14.426 -4.698 1.00 0.00 O ATOM 217 CB PHE A 18 -12.594 12.381 -2.183 1.00 0.00 C ATOM 218 CG PHE A 18 -11.124 12.075 -2.215 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.218 12.894 -1.562 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.649 10.967 -2.899 1.00 0.00 C ATOM 221 CE1 PHE A 18 -8.865 12.615 -1.591 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.297 10.683 -2.932 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.404 11.507 -2.276 1.00 0.00 C ATOM 0 H PHE A 18 -14.968 12.999 -2.651 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.750 14.492 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.890 12.594 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.148 11.497 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.573 13.761 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.343 10.318 -3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.169 13.262 -1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.939 9.818 -3.470 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.347 11.286 -2.298 1.00 0.00 H new ATOM 233 N LEU A 19 -12.405 12.438 -5.139 1.00 0.00 N ATOM 234 CA LEU A 19 -11.718 12.267 -6.415 1.00 0.00 C ATOM 235 C LEU A 19 -11.762 13.554 -7.233 1.00 0.00 C ATOM 236 O LEU A 19 -10.807 13.887 -7.935 1.00 0.00 O ATOM 237 CB LEU A 19 -12.351 11.123 -7.209 1.00 0.00 C ATOM 238 CG LEU A 19 -12.191 9.724 -6.612 1.00 0.00 C ATOM 239 CD1 LEU A 19 -12.833 8.682 -7.516 1.00 0.00 C ATOM 240 CD2 LEU A 19 -10.721 9.405 -6.387 1.00 0.00 C ATOM 0 H LEU A 19 -13.033 11.673 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.676 12.024 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.415 11.330 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.921 11.121 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.698 9.701 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.710 7.693 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.895 8.900 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.355 8.706 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.626 8.406 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.190 9.446 -7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.292 10.134 -5.700 1.00 0.00 H new ATOM 252 N ARG A 20 -12.875 14.273 -7.136 1.00 0.00 N ATOM 253 CA ARG A 20 -13.043 15.524 -7.867 1.00 0.00 C ATOM 254 C ARG A 20 -12.017 16.559 -7.414 1.00 0.00 C ATOM 255 O ARG A 20 -11.530 17.356 -8.217 1.00 0.00 O ATOM 256 CB ARG A 20 -14.457 16.070 -7.666 1.00 0.00 C ATOM 257 CG ARG A 20 -15.548 15.039 -7.906 1.00 0.00 C ATOM 258 CD ARG A 20 -15.998 15.032 -9.359 1.00 0.00 C ATOM 259 NE ARG A 20 -17.078 15.985 -9.602 1.00 0.00 N ATOM 260 CZ ARG A 20 -17.828 15.983 -10.698 1.00 0.00 C ATOM 261 NH1 ARG A 20 -17.616 15.082 -11.648 1.00 0.00 N ATOM 262 NH2 ARG A 20 -18.792 16.882 -10.847 1.00 0.00 N ATOM 0 H ARG A 20 -13.674 14.011 -6.559 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.886 15.322 -8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.548 16.453 -6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.611 16.913 -8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.182 14.050 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.400 15.253 -7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.151 15.272 -10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.331 14.030 -9.631 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.267 16.691 -8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.876 14.389 -11.538 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.193 15.082 -12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.958 17.577 -10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.367 16.879 -11.690 1.00 0.00 H new ATOM 276 N ARG A 21 -11.695 16.541 -6.125 1.00 0.00 N ATOM 277 CA ARG A 21 -10.729 17.479 -5.566 1.00 0.00 C ATOM 278 C ARG A 21 -9.303 16.974 -5.765 1.00 0.00 C ATOM 279 O ARG A 21 -8.485 17.632 -6.407 1.00 0.00 O ATOM 280 CB ARG A 21 -11.001 17.698 -4.077 1.00 0.00 C ATOM 281 CG ARG A 21 -12.239 18.535 -3.800 1.00 0.00 C ATOM 282 CD ARG A 21 -11.932 20.023 -3.871 1.00 0.00 C ATOM 283 NE ARG A 21 -12.124 20.558 -5.217 1.00 0.00 N ATOM 284 CZ ARG A 21 -13.304 20.936 -5.696 1.00 0.00 C ATOM 285 NH1 ARG A 21 -14.391 20.839 -4.943 1.00 0.00 N ATOM 286 NH2 ARG A 21 -13.397 21.413 -6.930 1.00 0.00 N ATOM 0 H ARG A 21 -12.089 15.887 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.837 18.428 -6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.112 16.729 -3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.136 18.184 -3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.016 18.288 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.632 18.290 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.574 20.559 -3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.903 20.196 -3.555 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.307 20.646 -5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.323 20.473 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.296 21.130 -5.313 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.562 21.490 -7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.303 21.703 -7.298 1.00 0.00 H new ATOM 300 N ASN A 22 -9.013 15.802 -5.209 1.00 0.00 N ATOM 301 CA ASN A 22 -7.685 15.209 -5.324 1.00 0.00 C ATOM 302 C ASN A 22 -7.585 14.337 -6.572 1.00 0.00 C ATOM 303 O ASN A 22 -7.602 13.109 -6.488 1.00 0.00 O ATOM 304 CB ASN A 22 -7.365 14.378 -4.080 1.00 0.00 C ATOM 305 CG ASN A 22 -7.320 15.219 -2.819 1.00 0.00 C ATOM 306 OD1 ASN A 22 -6.248 15.493 -2.280 1.00 0.00 O ATOM 307 ND2 ASN A 22 -8.488 15.632 -2.342 1.00 0.00 N ATOM 0 H ASN A 22 -9.679 15.244 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.959 16.018 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.116 13.596 -3.966 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.405 13.880 -4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.521 16.200 -1.496 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.352 15.381 -2.822 1.00 0.00 H new ATOM 314 N LYS A 23 -7.480 14.980 -7.730 1.00 0.00 N ATOM 315 CA LYS A 23 -7.376 14.265 -8.996 1.00 0.00 C ATOM 316 C LYS A 23 -6.211 13.280 -8.970 1.00 0.00 C ATOM 317 O LYS A 23 -6.294 12.191 -9.536 1.00 0.00 O ATOM 318 CB LYS A 23 -7.196 15.254 -10.151 1.00 0.00 C ATOM 319 CG LYS A 23 -7.317 14.615 -11.523 1.00 0.00 C ATOM 320 CD LYS A 23 -6.661 15.468 -12.596 1.00 0.00 C ATOM 321 CE LYS A 23 -7.499 16.695 -12.921 1.00 0.00 C ATOM 322 NZ LYS A 23 -6.766 17.651 -13.796 1.00 0.00 N ATOM 0 H LYS A 23 -7.465 15.996 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.299 13.705 -9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.941 16.045 -10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.218 15.727 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.854 13.628 -11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.370 14.469 -11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.672 15.780 -12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.519 14.874 -13.499 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.421 16.385 -13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.785 17.195 -11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.371 18.474 -13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.899 17.966 -13.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.516 17.182 -14.690 1.00 0.00 H new ATOM 336 N GLY A 24 -5.126 13.671 -8.309 1.00 0.00 N ATOM 337 CA GLY A 24 -3.961 12.810 -8.220 1.00 0.00 C ATOM 338 C GLY A 24 -3.222 12.697 -9.539 1.00 0.00 C ATOM 339 O GLY A 24 -3.495 13.428 -10.492 1.00 0.00 O ATOM 0 H GLY A 24 -5.033 14.569 -7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.283 13.198 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.271 11.817 -7.894 1.00 0.00 H new ATOM 343 N PRO A 25 -2.261 11.764 -9.605 1.00 0.00 N ATOM 344 CA PRO A 25 -1.927 10.890 -8.477 1.00 0.00 C ATOM 345 C PRO A 25 -1.251 11.646 -7.338 1.00 0.00 C ATOM 346 O PRO A 25 -0.764 12.761 -7.523 1.00 0.00 O ATOM 347 CB PRO A 25 -0.962 9.872 -9.090 1.00 0.00 C ATOM 348 CG PRO A 25 -0.356 10.578 -10.254 1.00 0.00 C ATOM 349 CD PRO A 25 -1.425 11.492 -10.787 1.00 0.00 C ATOM 0 HA PRO A 25 -2.815 10.441 -8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.201 9.566 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.486 8.969 -9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.526 11.143 -9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.034 9.868 -11.016 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.002 12.408 -11.199 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.998 11.018 -11.584 1.00 0.00 H new ATOM 357 N VAL A 26 -1.225 11.031 -6.160 1.00 0.00 N ATOM 358 CA VAL A 26 -0.607 11.645 -4.991 1.00 0.00 C ATOM 359 C VAL A 26 0.738 10.999 -4.677 1.00 0.00 C ATOM 360 O VAL A 26 0.992 9.855 -5.054 1.00 0.00 O ATOM 361 CB VAL A 26 -1.517 11.537 -3.753 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.803 12.322 -3.966 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.818 10.080 -3.439 1.00 0.00 C ATOM 0 H VAL A 26 -1.625 10.108 -5.990 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.454 12.697 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.993 11.968 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.434 12.234 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.564 13.371 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.334 11.923 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.462 10.022 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.322 9.621 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.886 9.551 -3.240 1.00 0.00 H new ATOM 373 N SER A 27 1.596 11.740 -3.983 1.00 0.00 N ATOM 374 CA SER A 27 2.918 11.241 -3.620 1.00 0.00 C ATOM 375 C SER A 27 3.027 11.039 -2.112 1.00 0.00 C ATOM 376 O SER A 27 3.123 12.002 -1.351 1.00 0.00 O ATOM 377 CB SER A 27 4.001 12.211 -4.096 1.00 0.00 C ATOM 378 OG SER A 27 4.251 12.055 -5.482 1.00 0.00 O ATOM 0 H SER A 27 1.400 12.688 -3.661 1.00 0.00 H new ATOM 0 HA SER A 27 3.063 10.278 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.691 13.236 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.920 12.039 -3.536 1.00 0.00 H new ATOM 0 HG SER A 27 4.946 12.687 -5.762 1.00 0.00 H new ATOM 384 N ILE A 28 3.011 9.780 -1.687 1.00 0.00 N ATOM 385 CA ILE A 28 3.110 9.451 -0.271 1.00 0.00 C ATOM 386 C ILE A 28 4.514 8.975 0.087 1.00 0.00 C ATOM 387 O ILE A 28 5.186 8.328 -0.717 1.00 0.00 O ATOM 388 CB ILE A 28 2.095 8.362 0.126 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.555 6.995 -0.383 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.716 8.700 -0.420 1.00 0.00 C ATOM 391 CD1 ILE A 28 3.436 6.251 0.597 1.00 0.00 C ATOM 0 H ILE A 28 2.930 8.971 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 28 2.887 10.364 0.281 1.00 0.00 H new ATOM 0 HB ILE A 28 2.034 8.322 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.679 6.386 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.098 7.128 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.010 7.922 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.388 9.657 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.761 8.764 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.725 5.290 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.330 6.840 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.889 6.086 1.525 1.00 0.00 H new ATOM 403 N LYS A 29 4.952 9.299 1.299 1.00 0.00 N ATOM 404 CA LYS A 29 6.275 8.903 1.766 1.00 0.00 C ATOM 405 C LYS A 29 6.170 7.932 2.937 1.00 0.00 C ATOM 406 O LYS A 29 5.530 8.227 3.947 1.00 0.00 O ATOM 407 CB LYS A 29 7.081 10.136 2.183 1.00 0.00 C ATOM 408 CG LYS A 29 8.580 9.895 2.230 1.00 0.00 C ATOM 409 CD LYS A 29 9.282 10.921 3.102 1.00 0.00 C ATOM 410 CE LYS A 29 9.706 12.140 2.298 1.00 0.00 C ATOM 411 NZ LYS A 29 8.646 13.186 2.275 1.00 0.00 N ATOM 0 H LYS A 29 4.409 9.835 1.976 1.00 0.00 H new ATOM 0 HA LYS A 29 6.788 8.401 0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.874 10.948 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.743 10.465 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.777 8.894 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.988 9.935 1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.618 11.229 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.158 10.467 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.618 12.557 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.940 11.838 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.641 13.655 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.720 12.745 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.836 13.889 3.017 1.00 0.00 H new ATOM 425 N VAL A 30 6.803 6.771 2.796 1.00 0.00 N ATOM 426 CA VAL A 30 6.783 5.757 3.844 1.00 0.00 C ATOM 427 C VAL A 30 8.052 5.812 4.686 1.00 0.00 C ATOM 428 O VAL A 30 9.129 5.428 4.229 1.00 0.00 O ATOM 429 CB VAL A 30 6.633 4.343 3.253 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.637 3.299 4.359 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.363 4.246 2.420 1.00 0.00 C ATOM 0 H VAL A 30 7.336 6.510 1.966 1.00 0.00 H new ATOM 0 HA VAL A 30 5.922 5.972 4.476 1.00 0.00 H new ATOM 0 HB VAL A 30 7.484 4.148 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.530 2.306 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.577 3.355 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.807 3.487 5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.273 3.240 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.499 4.461 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.407 4.968 1.604 1.00 0.00 H new ATOM 441 N GLN A 31 7.918 6.292 5.918 1.00 0.00 N ATOM 442 CA GLN A 31 9.055 6.397 6.825 1.00 0.00 C ATOM 443 C GLN A 31 9.504 5.018 7.297 1.00 0.00 C ATOM 444 O GLN A 31 8.836 4.381 8.111 1.00 0.00 O ATOM 445 CB GLN A 31 8.696 7.269 8.029 1.00 0.00 C ATOM 446 CG GLN A 31 9.897 7.943 8.673 1.00 0.00 C ATOM 447 CD GLN A 31 11.100 7.026 8.765 1.00 0.00 C ATOM 448 OE1 GLN A 31 12.185 7.356 8.286 1.00 0.00 O ATOM 449 NE2 GLN A 31 10.915 5.865 9.384 1.00 0.00 N ATOM 0 H GLN A 31 7.034 6.614 6.311 1.00 0.00 H new ATOM 0 HA GLN A 31 9.878 6.861 6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.986 8.034 7.714 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.192 6.654 8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.164 8.829 8.097 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.626 8.282 9.673 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.999 5.631 9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.689 5.207 9.477 1.00 0.00 H new ATOM 458 N VAL A 32 10.641 4.562 6.780 1.00 0.00 N ATOM 459 CA VAL A 32 11.180 3.259 7.150 1.00 0.00 C ATOM 460 C VAL A 32 12.197 3.384 8.278 1.00 0.00 C ATOM 461 O VAL A 32 13.213 4.069 8.159 1.00 0.00 O ATOM 462 CB VAL A 32 11.848 2.566 5.947 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.279 1.155 6.314 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.907 2.551 4.751 1.00 0.00 C ATOM 0 H VAL A 32 11.206 5.076 6.104 1.00 0.00 H new ATOM 0 HA VAL A 32 10.339 2.654 7.489 1.00 0.00 H new ATOM 0 HB VAL A 32 12.739 3.132 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.749 0.682 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.991 1.195 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.407 0.575 6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.395 2.058 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.997 2.010 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.654 3.574 4.474 1.00 0.00 H new ATOM 474 N PRO A 33 11.919 2.707 9.403 1.00 0.00 N ATOM 475 CA PRO A 33 12.798 2.726 10.576 1.00 0.00 C ATOM 476 C PRO A 33 14.106 1.980 10.333 1.00 0.00 C ATOM 477 O PRO A 33 14.303 1.384 9.275 1.00 0.00 O ATOM 478 CB PRO A 33 11.970 2.019 11.651 1.00 0.00 C ATOM 479 CG PRO A 33 11.036 1.141 10.893 1.00 0.00 C ATOM 480 CD PRO A 33 10.726 1.871 9.615 1.00 0.00 C ATOM 0 HA PRO A 33 13.096 3.739 10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.604 1.438 12.321 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.427 2.735 12.268 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.491 0.172 10.688 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.127 0.952 11.465 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.566 1.181 8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.823 2.475 9.706 1.00 0.00 H new ATOM 488 N ASN A 34 14.995 2.016 11.320 1.00 0.00 N ATOM 489 CA ASN A 34 16.284 1.342 11.212 1.00 0.00 C ATOM 490 C ASN A 34 16.413 0.245 12.264 1.00 0.00 C ATOM 491 O ASN A 34 16.806 0.504 13.401 1.00 0.00 O ATOM 492 CB ASN A 34 17.424 2.350 11.368 1.00 0.00 C ATOM 493 CG ASN A 34 18.774 1.677 11.524 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.866 0.450 11.570 1.00 0.00 O ATOM 495 ND2 ASN A 34 19.829 2.479 11.606 1.00 0.00 N ATOM 0 H ASN A 34 14.847 2.504 12.203 1.00 0.00 H new ATOM 0 HA ASN A 34 16.345 0.884 10.225 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.447 3.006 10.498 1.00 0.00 H new ATOM 0 HB3 ASN A 34 17.232 2.979 12.237 1.00 0.00 H new ATOM 0 HD21 ASN A 34 20.763 2.084 11.712 1.00 0.00 H new ATOM 0 HD22 ASN A 34 19.705 3.491 11.563 1.00 0.00 H new ATOM 502 N MET A 35 16.080 -0.982 11.875 1.00 0.00 N ATOM 503 CA MET A 35 16.161 -2.119 12.784 1.00 0.00 C ATOM 504 C MET A 35 17.258 -3.086 12.350 1.00 0.00 C ATOM 505 O MET A 35 17.097 -3.825 11.379 1.00 0.00 O ATOM 506 CB MET A 35 14.817 -2.849 12.844 1.00 0.00 C ATOM 507 CG MET A 35 13.786 -2.152 13.717 1.00 0.00 C ATOM 508 SD MET A 35 12.442 -3.247 14.212 1.00 0.00 S ATOM 509 CE MET A 35 11.026 -2.180 13.962 1.00 0.00 C ATOM 0 H MET A 35 15.752 -1.214 10.937 1.00 0.00 H new ATOM 0 HA MET A 35 16.406 -1.741 13.777 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.420 -2.946 11.834 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.978 -3.859 13.221 1.00 0.00 H new ATOM 0 HG2 MET A 35 14.276 -1.759 14.608 1.00 0.00 H new ATOM 0 HG3 MET A 35 13.375 -1.299 13.177 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.581 -1.934 14.926 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.344 -1.264 13.465 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.289 -2.692 13.343 1.00 0.00 H new ATOM 584 N GLU A 40 13.446 -9.413 10.963 1.00 0.00 N ATOM 585 CA GLU A 40 14.034 -10.072 9.803 1.00 0.00 C ATOM 586 C GLU A 40 13.577 -9.406 8.509 1.00 0.00 C ATOM 587 O GLU A 40 13.165 -10.080 7.564 1.00 0.00 O ATOM 588 CB GLU A 40 13.658 -11.556 9.787 1.00 0.00 C ATOM 589 CG GLU A 40 12.163 -11.806 9.901 1.00 0.00 C ATOM 590 CD GLU A 40 11.762 -13.180 9.403 1.00 0.00 C ATOM 591 OE1 GLU A 40 12.146 -13.536 8.269 1.00 0.00 O ATOM 592 OE2 GLU A 40 11.063 -13.900 10.147 1.00 0.00 O ATOM 0 HA GLU A 40 15.118 -9.980 9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.024 -12.005 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.166 -12.060 10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.859 -11.698 10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.627 -11.047 9.332 1.00 0.00 H new ATOM 599 N TRP A 41 13.652 -8.081 8.474 1.00 0.00 N ATOM 600 CA TRP A 41 13.245 -7.323 7.296 1.00 0.00 C ATOM 601 C TRP A 41 14.307 -6.297 6.916 1.00 0.00 C ATOM 602 O TRP A 41 15.351 -6.200 7.562 1.00 0.00 O ATOM 603 CB TRP A 41 11.909 -6.623 7.551 1.00 0.00 C ATOM 604 CG TRP A 41 10.853 -7.538 8.092 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.607 -8.825 7.707 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.899 -7.234 9.116 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.558 -9.339 8.429 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.106 -8.384 9.301 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.638 -6.104 9.895 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.072 -8.433 10.232 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.611 -6.154 10.819 1.00 0.00 C ATOM 612 CH2 TRP A 41 7.839 -7.312 10.981 1.00 0.00 C ATOM 0 H TRP A 41 13.991 -7.509 9.247 1.00 0.00 H new ATOM 0 HA TRP A 41 13.128 -8.021 6.467 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.064 -5.804 8.253 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.555 -6.182 6.620 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.157 -9.360 6.947 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.177 -10.280 8.332 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.228 -5.207 9.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.475 -9.324 10.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.400 -5.286 11.426 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.044 -7.320 11.712 1.00 0.00 H new ATOM 623 N LYS A 42 14.034 -5.532 5.864 1.00 0.00 N ATOM 624 CA LYS A 42 14.965 -4.511 5.398 1.00 0.00 C ATOM 625 C LYS A 42 14.600 -3.143 5.964 1.00 0.00 C ATOM 626 O LYS A 42 13.815 -2.403 5.368 1.00 0.00 O ATOM 627 CB LYS A 42 14.972 -4.458 3.869 1.00 0.00 C ATOM 628 CG LYS A 42 15.373 -5.769 3.216 1.00 0.00 C ATOM 629 CD LYS A 42 16.878 -5.859 3.024 1.00 0.00 C ATOM 630 CE LYS A 42 17.337 -7.303 2.890 1.00 0.00 C ATOM 631 NZ LYS A 42 18.819 -7.424 2.980 1.00 0.00 N ATOM 0 H LYS A 42 13.175 -5.600 5.318 1.00 0.00 H new ATOM 0 HA LYS A 42 15.962 -4.775 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.979 -4.177 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.658 -3.676 3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.033 -6.602 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.876 -5.863 2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.166 -5.300 2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.382 -5.393 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.875 -7.905 3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.997 -7.705 1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.092 -8.423 2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.259 -6.870 2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.141 -7.064 3.901 1.00 0.00 H new ATOM 645 N LEU A 43 15.174 -2.811 7.115 1.00 0.00 N ATOM 646 CA LEU A 43 14.910 -1.529 7.760 1.00 0.00 C ATOM 647 C LEU A 43 16.212 -0.833 8.141 1.00 0.00 C ATOM 648 O LEU A 43 16.838 -1.172 9.144 1.00 0.00 O ATOM 649 CB LEU A 43 14.043 -1.732 9.004 1.00 0.00 C ATOM 650 CG LEU A 43 12.701 -2.430 8.781 1.00 0.00 C ATOM 651 CD1 LEU A 43 12.121 -2.906 10.104 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.727 -1.499 8.073 1.00 0.00 C ATOM 0 H LEU A 43 15.825 -3.411 7.621 1.00 0.00 H new ATOM 0 HA LEU A 43 14.376 -0.896 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.614 -2.311 9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.852 -0.757 9.452 1.00 0.00 H new ATOM 0 HG LEU A 43 12.867 -3.301 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.166 -3.400 9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.811 -3.608 10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.970 -2.051 10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.777 -2.012 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.566 -0.609 8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.139 -1.208 7.107 1.00 0.00 H new ATOM 664 N ASN A 44 16.613 0.144 7.334 1.00 0.00 N ATOM 665 CA ASN A 44 17.840 0.890 7.588 1.00 0.00 C ATOM 666 C ASN A 44 17.614 2.388 7.405 1.00 0.00 C ATOM 667 O ASN A 44 18.150 2.999 6.482 1.00 0.00 O ATOM 668 CB ASN A 44 18.954 0.413 6.653 1.00 0.00 C ATOM 669 CG ASN A 44 19.553 -0.908 7.094 1.00 0.00 C ATOM 670 OD1 ASN A 44 20.194 -0.993 8.141 1.00 0.00 O ATOM 671 ND2 ASN A 44 19.345 -1.948 6.294 1.00 0.00 N ATOM 0 H ASN A 44 16.106 0.437 6.499 1.00 0.00 H new ATOM 0 HA ASN A 44 18.139 0.709 8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.557 0.310 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.738 1.169 6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 44 19.723 -2.863 6.539 1.00 0.00 H new ATOM 0 HD22 ASN A 44 18.807 -1.831 5.435 1.00 0.00 H new ATOM 678 N GLY A 45 16.816 2.973 8.294 1.00 0.00 N ATOM 679 CA GLY A 45 16.534 4.394 8.214 1.00 0.00 C ATOM 680 C GLY A 45 16.475 4.894 6.784 1.00 0.00 C ATOM 681 O GLY A 45 17.478 5.356 6.240 1.00 0.00 O ATOM 0 H GLY A 45 16.360 2.488 9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.584 4.601 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.302 4.945 8.757 1.00 0.00 H new ATOM 685 N GLN A 46 15.298 4.801 6.174 1.00 0.00 N ATOM 686 CA GLN A 46 15.115 5.246 4.797 1.00 0.00 C ATOM 687 C GLN A 46 13.667 5.655 4.546 1.00 0.00 C ATOM 688 O GLN A 46 12.846 5.665 5.462 1.00 0.00 O ATOM 689 CB GLN A 46 15.520 4.139 3.823 1.00 0.00 C ATOM 690 CG GLN A 46 14.618 2.917 3.880 1.00 0.00 C ATOM 691 CD GLN A 46 14.933 1.907 2.795 1.00 0.00 C ATOM 692 OE1 GLN A 46 15.590 2.228 1.804 1.00 0.00 O ATOM 693 NE2 GLN A 46 14.465 0.677 2.976 1.00 0.00 N ATOM 0 H GLN A 46 14.458 4.422 6.611 1.00 0.00 H new ATOM 0 HA GLN A 46 15.753 6.115 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.513 4.538 2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.544 3.834 4.038 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.720 2.440 4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.579 3.233 3.786 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.925 0.455 3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.646 -0.045 2.279 1.00 0.00 H new ATOM 702 N GLY A 47 13.361 5.993 3.297 1.00 0.00 N ATOM 703 CA GLY A 47 12.012 6.400 2.948 1.00 0.00 C ATOM 704 C GLY A 47 11.581 5.875 1.592 1.00 0.00 C ATOM 705 O GLY A 47 12.300 6.023 0.603 1.00 0.00 O ATOM 0 H GLY A 47 14.023 5.992 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.319 6.042 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.952 7.488 2.949 1.00 0.00 H new ATOM 709 N LEU A 48 10.406 5.258 1.545 1.00 0.00 N ATOM 710 CA LEU A 48 9.880 4.708 0.301 1.00 0.00 C ATOM 711 C LEU A 48 8.722 5.552 -0.222 1.00 0.00 C ATOM 712 O LEU A 48 7.679 5.661 0.424 1.00 0.00 O ATOM 713 CB LEU A 48 9.419 3.265 0.513 1.00 0.00 C ATOM 714 CG LEU A 48 10.465 2.302 1.077 1.00 0.00 C ATOM 715 CD1 LEU A 48 9.869 0.916 1.264 1.00 0.00 C ATOM 716 CD2 LEU A 48 11.682 2.243 0.166 1.00 0.00 C ATOM 0 H LEU A 48 9.799 5.126 2.354 1.00 0.00 H new ATOM 0 HA LEU A 48 10.679 4.723 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.562 3.274 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.070 2.872 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 48 10.783 2.672 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.628 0.245 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.030 0.971 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.521 0.537 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.416 1.553 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.380 1.897 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.124 3.236 0.084 1.00 0.00 H new ATOM 728 N VAL A 49 8.911 6.145 -1.396 1.00 0.00 N ATOM 729 CA VAL A 49 7.881 6.977 -2.007 1.00 0.00 C ATOM 730 C VAL A 49 7.331 6.329 -3.272 1.00 0.00 C ATOM 731 O VAL A 49 8.077 5.748 -4.060 1.00 0.00 O ATOM 732 CB VAL A 49 8.422 8.377 -2.354 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.346 9.214 -3.027 1.00 0.00 C ATOM 734 CG2 VAL A 49 8.945 9.070 -1.105 1.00 0.00 C ATOM 0 H VAL A 49 9.768 6.065 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 49 7.080 7.077 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 49 9.250 8.264 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.747 10.199 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.024 8.722 -3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.495 9.321 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.323 10.058 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.137 9.172 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.750 8.477 -0.670 1.00 0.00 H new ATOM 744 N PHE A 50 6.020 6.433 -3.462 1.00 0.00 N ATOM 745 CA PHE A 50 5.368 5.856 -4.632 1.00 0.00 C ATOM 746 C PHE A 50 4.210 6.734 -5.098 1.00 0.00 C ATOM 747 O PHE A 50 3.257 6.971 -4.356 1.00 0.00 O ATOM 748 CB PHE A 50 4.860 4.447 -4.317 1.00 0.00 C ATOM 749 CG PHE A 50 5.926 3.529 -3.792 1.00 0.00 C ATOM 750 CD1 PHE A 50 6.887 3.004 -4.642 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.967 3.189 -2.450 1.00 0.00 C ATOM 752 CE1 PHE A 50 7.870 2.159 -4.163 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.948 2.345 -1.964 1.00 0.00 C ATOM 754 CZ PHE A 50 7.900 1.828 -2.822 1.00 0.00 C ATOM 0 H PHE A 50 5.388 6.912 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 50 6.103 5.798 -5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.057 4.515 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.431 4.014 -5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.867 3.258 -5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.224 3.588 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.614 1.758 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.970 2.090 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.666 1.167 -2.445 1.00 0.00 H new ATOM 764 N THR A 51 4.301 7.216 -6.334 1.00 0.00 N ATOM 765 CA THR A 51 3.264 8.069 -6.899 1.00 0.00 C ATOM 766 C THR A 51 2.195 7.242 -7.604 1.00 0.00 C ATOM 767 O THR A 51 2.407 6.749 -8.713 1.00 0.00 O ATOM 768 CB THR A 51 3.853 9.083 -7.898 1.00 0.00 C ATOM 769 OG1 THR A 51 4.990 9.735 -7.321 1.00 0.00 O ATOM 770 CG2 THR A 51 2.813 10.121 -8.292 1.00 0.00 C ATOM 0 H THR A 51 5.083 7.030 -6.962 1.00 0.00 H new ATOM 0 HA THR A 51 2.812 8.609 -6.067 1.00 0.00 H new ATOM 0 HB THR A 51 4.160 8.542 -8.793 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.689 10.468 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.252 10.826 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.961 9.624 -8.757 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.479 10.657 -7.404 1.00 0.00 H new ATOM 778 N LEU A 52 1.046 7.093 -6.955 1.00 0.00 N ATOM 779 CA LEU A 52 -0.058 6.325 -7.521 1.00 0.00 C ATOM 780 C LEU A 52 -1.387 7.041 -7.304 1.00 0.00 C ATOM 781 O LEU A 52 -1.582 7.757 -6.321 1.00 0.00 O ATOM 782 CB LEU A 52 -0.109 4.930 -6.894 1.00 0.00 C ATOM 783 CG LEU A 52 1.231 4.206 -6.758 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.072 2.940 -5.930 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.802 3.880 -8.131 1.00 0.00 C ATOM 0 H LEU A 52 0.854 7.493 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 52 0.111 6.229 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.556 5.015 -5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.776 4.309 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 52 1.929 4.866 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.036 2.438 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.708 3.199 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.359 2.275 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.756 3.365 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.106 3.238 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.954 4.803 -8.691 1.00 0.00 H new ATOM 797 N PRO A 53 -2.326 6.843 -8.241 1.00 0.00 N ATOM 798 CA PRO A 53 -3.655 7.459 -8.173 1.00 0.00 C ATOM 799 C PRO A 53 -4.509 6.873 -7.054 1.00 0.00 C ATOM 800 O PRO A 53 -4.162 5.848 -6.466 1.00 0.00 O ATOM 801 CB PRO A 53 -4.267 7.135 -9.538 1.00 0.00 C ATOM 802 CG PRO A 53 -3.561 5.901 -9.986 1.00 0.00 C ATOM 803 CD PRO A 53 -2.164 6.002 -9.439 1.00 0.00 C ATOM 0 HA PRO A 53 -3.599 8.526 -7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.342 6.970 -9.461 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.119 7.954 -10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.062 5.008 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.550 5.831 -11.074 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.758 5.022 -9.190 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.482 6.455 -10.159 1.00 0.00 H new ATOM 811 N LEU A 54 -5.627 7.530 -6.763 1.00 0.00 N ATOM 812 CA LEU A 54 -6.532 7.073 -5.714 1.00 0.00 C ATOM 813 C LEU A 54 -7.601 6.146 -6.283 1.00 0.00 C ATOM 814 O LEU A 54 -8.703 6.581 -6.617 1.00 0.00 O ATOM 815 CB LEU A 54 -7.192 8.270 -5.027 1.00 0.00 C ATOM 816 CG LEU A 54 -6.317 9.043 -4.040 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.625 8.089 -3.079 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.294 9.890 -4.783 1.00 0.00 C ATOM 0 H LEU A 54 -5.928 8.381 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.948 6.517 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.535 8.962 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.077 7.917 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.957 9.708 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.007 8.657 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.374 7.527 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.997 7.398 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.680 10.433 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.658 9.244 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.810 10.600 -5.429 1.00 0.00 H new ATOM 830 N THR A 55 -7.269 4.863 -6.387 1.00 0.00 N ATOM 831 CA THR A 55 -8.200 3.873 -6.914 1.00 0.00 C ATOM 832 C THR A 55 -8.343 2.691 -5.961 1.00 0.00 C ATOM 833 O THR A 55 -9.433 2.414 -5.461 1.00 0.00 O ATOM 834 CB THR A 55 -7.748 3.354 -8.292 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.368 2.977 -8.246 1.00 0.00 O ATOM 836 CG2 THR A 55 -7.954 4.415 -9.363 1.00 0.00 C ATOM 0 H THR A 55 -6.362 4.485 -6.113 1.00 0.00 H new ATOM 0 HA THR A 55 -9.164 4.371 -7.020 1.00 0.00 H new ATOM 0 HB THR A 55 -8.353 2.483 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.090 2.647 -9.126 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.628 4.026 -10.328 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.010 4.678 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.371 5.302 -9.113 1.00 0.00 H new ATOM 844 N ASP A 56 -7.236 1.999 -5.714 1.00 0.00 N ATOM 845 CA ASP A 56 -7.239 0.848 -4.819 1.00 0.00 C ATOM 846 C ASP A 56 -7.216 1.293 -3.360 1.00 0.00 C ATOM 847 O ASP A 56 -7.301 2.485 -3.065 1.00 0.00 O ATOM 848 CB ASP A 56 -6.037 -0.053 -5.109 1.00 0.00 C ATOM 849 CG ASP A 56 -6.330 -1.515 -4.837 1.00 0.00 C ATOM 850 OD1 ASP A 56 -6.237 -1.931 -3.663 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.653 -2.244 -5.798 1.00 0.00 O ATOM 0 H ASP A 56 -6.326 2.215 -6.121 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.156 0.286 -4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.740 0.067 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.192 0.265 -4.498 1.00 0.00 H new ATOM 856 N GLN A 57 -7.103 0.328 -2.454 1.00 0.00 N ATOM 857 CA GLN A 57 -7.072 0.622 -1.026 1.00 0.00 C ATOM 858 C GLN A 57 -5.636 0.713 -0.520 1.00 0.00 C ATOM 859 O GLN A 57 -4.686 0.639 -1.300 1.00 0.00 O ATOM 860 CB GLN A 57 -7.832 -0.452 -0.246 1.00 0.00 C ATOM 861 CG GLN A 57 -9.315 -0.510 -0.578 1.00 0.00 C ATOM 862 CD GLN A 57 -9.943 -1.840 -0.210 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.312 -2.682 0.429 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.194 -2.035 -0.612 1.00 0.00 N ATOM 0 H GLN A 57 -7.031 -0.663 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.556 1.586 -0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.384 -1.424 -0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.714 -0.266 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.833 0.291 -0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.452 -0.330 -1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.679 -1.309 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.669 -2.910 -0.393 1.00 0.00 H new ATOM 873 N VAL A 58 -5.484 0.876 0.790 1.00 0.00 N ATOM 874 CA VAL A 58 -4.164 0.977 1.400 1.00 0.00 C ATOM 875 C VAL A 58 -3.347 -0.286 1.154 1.00 0.00 C ATOM 876 O VAL A 58 -2.119 -0.269 1.237 1.00 0.00 O ATOM 877 CB VAL A 58 -4.264 1.223 2.918 1.00 0.00 C ATOM 878 CG1 VAL A 58 -2.894 1.114 3.568 1.00 0.00 C ATOM 879 CG2 VAL A 58 -4.890 2.581 3.197 1.00 0.00 C ATOM 0 H VAL A 58 -6.259 0.941 1.450 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.664 1.826 0.934 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.907 0.457 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.985 1.291 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.489 0.117 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.225 1.856 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.953 2.738 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.276 3.363 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.891 2.616 2.766 1.00 0.00 H new ATOM 889 N SER A 59 -4.036 -1.381 0.851 1.00 0.00 N ATOM 890 CA SER A 59 -3.375 -2.655 0.595 1.00 0.00 C ATOM 891 C SER A 59 -2.246 -2.487 -0.417 1.00 0.00 C ATOM 892 O SER A 59 -1.134 -2.972 -0.210 1.00 0.00 O ATOM 893 CB SER A 59 -4.384 -3.685 0.084 1.00 0.00 C ATOM 894 OG SER A 59 -3.734 -4.738 -0.605 1.00 0.00 O ATOM 0 H SER A 59 -5.053 -1.412 0.777 1.00 0.00 H new ATOM 0 HA SER A 59 -2.949 -3.010 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.951 -4.090 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.100 -3.199 -0.580 1.00 0.00 H new ATOM 0 HG SER A 59 -4.401 -5.383 -0.920 1.00 0.00 H new ATOM 900 N VAL A 60 -2.541 -1.796 -1.514 1.00 0.00 N ATOM 901 CA VAL A 60 -1.552 -1.563 -2.560 1.00 0.00 C ATOM 902 C VAL A 60 -0.291 -0.922 -1.990 1.00 0.00 C ATOM 903 O VAL A 60 0.789 -1.030 -2.572 1.00 0.00 O ATOM 904 CB VAL A 60 -2.115 -0.660 -3.673 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.242 -1.365 -4.413 1.00 0.00 C ATOM 906 CG2 VAL A 60 -2.591 0.664 -3.096 1.00 0.00 C ATOM 0 H VAL A 60 -3.457 -1.388 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.303 -2.536 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.318 -0.452 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.628 -0.712 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.864 -2.284 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.043 -1.605 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.986 1.289 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.374 0.480 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.755 1.173 -2.616 1.00 0.00 H new ATOM 916 N ILE A 61 -0.436 -0.256 -0.850 1.00 0.00 N ATOM 917 CA ILE A 61 0.692 0.401 -0.201 1.00 0.00 C ATOM 918 C ILE A 61 1.534 -0.600 0.583 1.00 0.00 C ATOM 919 O ILE A 61 2.759 -0.485 0.644 1.00 0.00 O ATOM 920 CB ILE A 61 0.222 1.516 0.752 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.712 2.482 0.020 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.418 2.260 1.328 1.00 0.00 C ATOM 923 CD1 ILE A 61 -1.429 3.444 0.942 1.00 0.00 C ATOM 0 H ILE A 61 -1.323 -0.157 -0.356 1.00 0.00 H new ATOM 0 HA ILE A 61 1.298 0.842 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.329 1.062 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.134 3.051 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.451 1.907 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.069 3.045 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.048 1.563 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.994 2.706 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.073 4.098 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.034 2.883 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.697 4.045 1.482 1.00 0.00 H new ATOM 935 N LYS A 62 0.871 -1.585 1.179 1.00 0.00 N ATOM 936 CA LYS A 62 1.557 -2.609 1.957 1.00 0.00 C ATOM 937 C LYS A 62 2.286 -3.589 1.043 1.00 0.00 C ATOM 938 O LYS A 62 3.444 -3.932 1.280 1.00 0.00 O ATOM 939 CB LYS A 62 0.560 -3.364 2.839 1.00 0.00 C ATOM 940 CG LYS A 62 -0.087 -2.496 3.905 1.00 0.00 C ATOM 941 CD LYS A 62 -0.820 -3.335 4.938 1.00 0.00 C ATOM 942 CE LYS A 62 -1.084 -2.546 6.211 1.00 0.00 C ATOM 943 NZ LYS A 62 -1.628 -3.410 7.295 1.00 0.00 N ATOM 0 H LYS A 62 -0.142 -1.696 1.138 1.00 0.00 H new ATOM 0 HA LYS A 62 2.292 -2.115 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.219 -3.792 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.072 -4.196 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.676 -1.895 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.785 -1.802 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.765 -3.683 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.230 -4.221 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.158 -2.080 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.788 -1.741 6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.827 -2.830 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.507 -3.862 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.931 -4.143 7.538 1.00 0.00 H new ATOM 957 N VAL A 63 1.600 -4.036 -0.005 1.00 0.00 N ATOM 958 CA VAL A 63 2.183 -4.974 -0.956 1.00 0.00 C ATOM 959 C VAL A 63 3.492 -4.439 -1.525 1.00 0.00 C ATOM 960 O VAL A 63 4.464 -5.179 -1.678 1.00 0.00 O ATOM 961 CB VAL A 63 1.215 -5.270 -2.117 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.204 -4.119 -3.111 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.591 -6.574 -2.805 1.00 0.00 C ATOM 0 H VAL A 63 0.640 -3.763 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 63 2.378 -5.897 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 63 0.210 -5.376 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.514 -4.347 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.883 -3.207 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.207 -3.977 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.897 -6.767 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.604 -6.498 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.542 -7.392 -2.086 1.00 0.00 H new ATOM 973 N LYS A 64 3.511 -3.147 -1.835 1.00 0.00 N ATOM 974 CA LYS A 64 4.702 -2.510 -2.386 1.00 0.00 C ATOM 975 C LYS A 64 5.857 -2.566 -1.392 1.00 0.00 C ATOM 976 O LYS A 64 6.938 -3.063 -1.710 1.00 0.00 O ATOM 977 CB LYS A 64 4.402 -1.055 -2.754 1.00 0.00 C ATOM 978 CG LYS A 64 3.436 -0.908 -3.917 1.00 0.00 C ATOM 979 CD LYS A 64 4.160 -0.946 -5.252 1.00 0.00 C ATOM 980 CE LYS A 64 3.402 -0.172 -6.319 1.00 0.00 C ATOM 981 NZ LYS A 64 2.044 -0.735 -6.553 1.00 0.00 N ATOM 0 H LYS A 64 2.715 -2.520 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 64 4.993 -3.054 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.989 -0.547 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.336 -0.552 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.697 -1.708 -3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.893 0.032 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.159 -0.526 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.284 -1.981 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.315 0.872 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.968 -0.189 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.612 -0.269 -7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.118 -1.757 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.452 -0.573 -5.714 1.00 0.00 H new ATOM 995 N ILE A 65 5.622 -2.054 -0.188 1.00 0.00 N ATOM 996 CA ILE A 65 6.643 -2.049 0.852 1.00 0.00 C ATOM 997 C ILE A 65 7.234 -3.441 1.049 1.00 0.00 C ATOM 998 O ILE A 65 8.448 -3.599 1.186 1.00 0.00 O ATOM 999 CB ILE A 65 6.077 -1.549 2.194 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.617 -0.096 2.068 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.120 -1.687 3.293 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.629 0.320 3.136 1.00 0.00 C ATOM 0 H ILE A 65 4.734 -1.638 0.091 1.00 0.00 H new ATOM 0 HA ILE A 65 7.427 -1.368 0.521 1.00 0.00 H new ATOM 0 HB ILE A 65 5.215 -2.162 2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.488 0.558 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.163 0.049 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.705 -1.329 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.404 -2.734 3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.999 -1.096 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.347 1.362 2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.741 -0.309 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.087 0.207 4.119 1.00 0.00 H new ATOM 1014 N HIS A 66 6.368 -4.450 1.060 1.00 0.00 N ATOM 1015 CA HIS A 66 6.804 -5.830 1.238 1.00 0.00 C ATOM 1016 C HIS A 66 7.587 -6.314 0.021 1.00 0.00 C ATOM 1017 O HIS A 66 8.520 -7.106 0.147 1.00 0.00 O ATOM 1018 CB HIS A 66 5.600 -6.741 1.479 1.00 0.00 C ATOM 1019 CG HIS A 66 5.928 -8.200 1.405 1.00 0.00 C ATOM 1020 ND1 HIS A 66 5.323 -9.064 0.516 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.806 -8.947 2.114 1.00 0.00 C ATOM 1022 CE1 HIS A 66 5.813 -10.279 0.684 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.715 -10.235 1.647 1.00 0.00 N ATOM 0 H HIS A 66 5.360 -4.337 0.948 1.00 0.00 H new ATOM 0 HA HIS A 66 7.459 -5.868 2.108 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.179 -6.521 2.460 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.829 -6.513 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.457 -8.595 2.901 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.525 -11.159 0.128 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.256 -11.029 1.989 1.00 0.00 H new ATOM 1032 N GLU A 67 7.200 -5.831 -1.156 1.00 0.00 N ATOM 1033 CA GLU A 67 7.865 -6.216 -2.395 1.00 0.00 C ATOM 1034 C GLU A 67 9.320 -5.756 -2.397 1.00 0.00 C ATOM 1035 O GLU A 67 10.178 -6.380 -3.020 1.00 0.00 O ATOM 1036 CB GLU A 67 7.130 -5.625 -3.600 1.00 0.00 C ATOM 1037 CG GLU A 67 6.053 -6.537 -4.163 1.00 0.00 C ATOM 1038 CD GLU A 67 6.622 -7.660 -5.008 1.00 0.00 C ATOM 1039 OE1 GLU A 67 7.236 -7.361 -6.054 1.00 0.00 O ATOM 1040 OE2 GLU A 67 6.454 -8.836 -4.624 1.00 0.00 O ATOM 0 H GLU A 67 6.430 -5.173 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 67 7.846 -7.304 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.676 -4.677 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.854 -5.405 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.476 -6.962 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.362 -5.948 -4.766 1.00 0.00 H new ATOM 1047 N ALA A 68 9.588 -4.659 -1.696 1.00 0.00 N ATOM 1048 CA ALA A 68 10.938 -4.115 -1.616 1.00 0.00 C ATOM 1049 C ALA A 68 11.657 -4.613 -0.367 1.00 0.00 C ATOM 1050 O ALA A 68 12.754 -5.167 -0.447 1.00 0.00 O ATOM 1051 CB ALA A 68 10.897 -2.595 -1.632 1.00 0.00 C ATOM 0 H ALA A 68 8.888 -4.130 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 68 11.494 -4.461 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.912 -2.203 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.430 -2.253 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.319 -2.238 -0.780 1.00 0.00 H new ATOM 1057 N THR A 69 11.032 -4.412 0.790 1.00 0.00 N ATOM 1058 CA THR A 69 11.613 -4.839 2.056 1.00 0.00 C ATOM 1059 C THR A 69 11.052 -6.187 2.492 1.00 0.00 C ATOM 1060 O THR A 69 9.976 -6.593 2.056 1.00 0.00 O ATOM 1061 CB THR A 69 11.356 -3.805 3.169 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.952 -3.706 3.430 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.902 -2.440 2.776 1.00 0.00 C ATOM 0 H THR A 69 10.124 -3.956 0.875 1.00 0.00 H new ATOM 0 HA THR A 69 12.687 -4.931 1.895 1.00 0.00 H new ATOM 0 HB THR A 69 11.870 -4.138 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.476 -3.526 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.709 -1.726 3.577 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.976 -2.513 2.606 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.412 -2.101 1.863 1.00 0.00 H new ATOM 1071 N GLY A 70 11.789 -6.879 3.357 1.00 0.00 N ATOM 1072 CA GLY A 70 11.347 -8.175 3.838 1.00 0.00 C ATOM 1073 C GLY A 70 10.099 -8.081 4.693 1.00 0.00 C ATOM 1074 O GLY A 70 9.487 -9.097 5.023 1.00 0.00 O ATOM 0 H GLY A 70 12.684 -6.565 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.152 -8.828 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.147 -8.636 4.417 1.00 0.00 H new ATOM 1078 N MET A 71 9.722 -6.860 5.055 1.00 0.00 N ATOM 1079 CA MET A 71 8.539 -6.638 5.879 1.00 0.00 C ATOM 1080 C MET A 71 7.285 -7.150 5.177 1.00 0.00 C ATOM 1081 O MET A 71 6.972 -6.763 4.051 1.00 0.00 O ATOM 1082 CB MET A 71 8.386 -5.150 6.200 1.00 0.00 C ATOM 1083 CG MET A 71 7.592 -4.880 7.467 1.00 0.00 C ATOM 1084 SD MET A 71 7.614 -3.142 7.944 1.00 0.00 S ATOM 1085 CE MET A 71 7.219 -3.263 9.687 1.00 0.00 C ATOM 0 H MET A 71 10.218 -6.009 4.791 1.00 0.00 H new ATOM 0 HA MET A 71 8.666 -7.191 6.810 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.376 -4.705 6.300 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.896 -4.654 5.362 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.560 -5.199 7.319 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.998 -5.481 8.281 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.656 -2.382 9.995 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.619 -4.156 9.863 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.141 -3.325 10.265 1.00 0.00 H new ATOM 1095 N PRO A 72 6.548 -8.042 5.856 1.00 0.00 N ATOM 1096 CA PRO A 72 5.316 -8.626 5.317 1.00 0.00 C ATOM 1097 C PRO A 72 4.183 -7.610 5.230 1.00 0.00 C ATOM 1098 O PRO A 72 4.127 -6.660 6.010 1.00 0.00 O ATOM 1099 CB PRO A 72 4.973 -9.724 6.327 1.00 0.00 C ATOM 1100 CG PRO A 72 5.609 -9.282 7.599 1.00 0.00 C ATOM 1101 CD PRO A 72 6.861 -8.549 7.203 1.00 0.00 C ATOM 0 HA PRO A 72 5.449 -8.991 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.895 -9.834 6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.360 -10.691 6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.940 -8.634 8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.841 -10.135 8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.088 -7.738 7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.727 -9.210 7.192 1.00 0.00 H new ATOM 1109 N ALA A 73 3.281 -7.817 4.276 1.00 0.00 N ATOM 1110 CA ALA A 73 2.148 -6.920 4.089 1.00 0.00 C ATOM 1111 C ALA A 73 1.034 -7.227 5.084 1.00 0.00 C ATOM 1112 O ALA A 73 -0.041 -7.688 4.704 1.00 0.00 O ATOM 1113 CB ALA A 73 1.626 -7.019 2.663 1.00 0.00 C ATOM 0 H ALA A 73 3.313 -8.598 3.621 1.00 0.00 H new ATOM 0 HA ALA A 73 2.490 -5.901 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.780 -6.344 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.417 -6.743 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.307 -8.042 2.463 1.00 0.00 H new ATOM 1119 N GLY A 74 1.300 -6.968 6.361 1.00 0.00 N ATOM 1120 CA GLY A 74 0.310 -7.225 7.391 1.00 0.00 C ATOM 1121 C GLY A 74 0.772 -6.774 8.763 1.00 0.00 C ATOM 1122 O GLY A 74 0.133 -5.933 9.396 1.00 0.00 O ATOM 0 H GLY A 74 2.182 -6.585 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.617 -6.712 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.087 -8.292 7.418 1.00 0.00 H new ATOM 1126 N LYS A 75 1.884 -7.336 9.225 1.00 0.00 N ATOM 1127 CA LYS A 75 2.431 -6.988 10.531 1.00 0.00 C ATOM 1128 C LYS A 75 2.715 -5.492 10.622 1.00 0.00 C ATOM 1129 O LYS A 75 2.510 -4.875 11.667 1.00 0.00 O ATOM 1130 CB LYS A 75 3.715 -7.778 10.796 1.00 0.00 C ATOM 1131 CG LYS A 75 3.472 -9.149 11.403 1.00 0.00 C ATOM 1132 CD LYS A 75 4.707 -9.668 12.119 1.00 0.00 C ATOM 1133 CE LYS A 75 4.925 -8.953 13.444 1.00 0.00 C ATOM 1134 NZ LYS A 75 6.220 -9.332 14.073 1.00 0.00 N ATOM 0 H LYS A 75 2.424 -8.034 8.714 1.00 0.00 H new ATOM 0 HA LYS A 75 1.690 -7.246 11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.259 -7.896 9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.354 -7.202 11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.639 -9.095 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.184 -9.849 10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.604 -10.739 12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.582 -9.532 11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.901 -7.875 13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.107 -9.192 14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.331 -8.823 14.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.233 -10.357 14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.002 -9.081 13.435 1.00 0.00 H new ATOM 1148 N GLN A 76 3.185 -4.915 9.520 1.00 0.00 N ATOM 1149 CA GLN A 76 3.495 -3.491 9.477 1.00 0.00 C ATOM 1150 C GLN A 76 2.224 -2.654 9.580 1.00 0.00 C ATOM 1151 O GLN A 76 1.252 -2.891 8.863 1.00 0.00 O ATOM 1152 CB GLN A 76 4.241 -3.150 8.186 1.00 0.00 C ATOM 1153 CG GLN A 76 3.398 -3.320 6.932 1.00 0.00 C ATOM 1154 CD GLN A 76 4.111 -2.846 5.681 1.00 0.00 C ATOM 1155 OE1 GLN A 76 4.982 -1.978 5.740 1.00 0.00 O ATOM 1156 NE2 GLN A 76 3.745 -3.416 4.539 1.00 0.00 N ATOM 0 H GLN A 76 3.359 -5.412 8.646 1.00 0.00 H new ATOM 0 HA GLN A 76 4.132 -3.257 10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.592 -2.120 8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.124 -3.784 8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.131 -4.371 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.467 -2.766 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.018 -4.132 4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.191 -3.138 3.665 1.00 0.00 H new ATOM 1165 N LYS A 77 2.238 -1.675 10.478 1.00 0.00 N ATOM 1166 CA LYS A 77 1.088 -0.801 10.675 1.00 0.00 C ATOM 1167 C LYS A 77 1.341 0.577 10.071 1.00 0.00 C ATOM 1168 O LYS A 77 2.253 1.291 10.488 1.00 0.00 O ATOM 1169 CB LYS A 77 0.775 -0.665 12.167 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.638 -0.187 12.451 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.839 0.113 13.927 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.841 -1.160 14.760 1.00 0.00 C ATOM 1173 NZ LYS A 77 -2.211 -1.726 14.906 1.00 0.00 N ATOM 0 H LYS A 77 3.034 -1.467 11.081 1.00 0.00 H new ATOM 0 HA LYS A 77 0.233 -1.249 10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.927 -1.630 12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.482 0.032 12.616 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.845 0.709 11.865 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.351 -0.947 12.133 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.047 0.776 14.276 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.782 0.642 14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.190 -1.900 14.294 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.428 -0.949 15.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.169 -2.592 15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.826 -1.030 15.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.595 -1.951 13.966 1.00 0.00 H new ATOM 1187 N LEU A 78 0.527 0.944 9.087 1.00 0.00 N ATOM 1188 CA LEU A 78 0.661 2.237 8.425 1.00 0.00 C ATOM 1189 C LEU A 78 -0.127 3.312 9.166 1.00 0.00 C ATOM 1190 O LEU A 78 -1.354 3.251 9.247 1.00 0.00 O ATOM 1191 CB LEU A 78 0.180 2.144 6.976 1.00 0.00 C ATOM 1192 CG LEU A 78 0.890 1.112 6.099 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.362 1.170 4.674 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.395 1.339 6.121 1.00 0.00 C ATOM 0 H LEU A 78 -0.233 0.364 8.730 1.00 0.00 H new ATOM 0 HA LEU A 78 1.715 2.514 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.886 1.915 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.293 3.124 6.513 1.00 0.00 H new ATOM 0 HG LEU A 78 0.686 0.120 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.879 0.429 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.707 0.959 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.536 2.164 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.884 0.596 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.618 2.337 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.762 1.247 7.143 1.00 0.00 H new ATOM 1206 N GLN A 79 0.586 4.297 9.704 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.048 5.387 10.436 1.00 0.00 C ATOM 1208 C GLN A 79 -0.018 6.678 9.626 1.00 0.00 C ATOM 1209 O GLN A 79 1.052 7.196 9.304 1.00 0.00 O ATOM 1210 CB GLN A 79 0.649 5.598 11.781 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.214 6.312 12.809 1.00 0.00 C ATOM 1212 CD GLN A 79 0.515 6.560 14.114 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.746 6.539 14.164 1.00 0.00 O ATOM 1214 NE2 GLN A 79 -0.241 6.796 15.180 1.00 0.00 N ATOM 0 H GLN A 79 1.602 4.362 9.647 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.089 5.116 10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.949 4.629 12.181 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.561 6.174 11.622 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.549 7.264 12.398 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.107 5.718 13.004 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.257 6.804 15.093 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.195 6.969 16.086 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.198 7.193 9.298 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.306 8.423 8.522 1.00 0.00 C ATOM 1225 C TYR A 80 -1.662 9.604 9.420 1.00 0.00 C ATOM 1226 O TYR A 80 -2.818 9.779 9.804 1.00 0.00 O ATOM 1227 CB TYR A 80 -2.360 8.267 7.425 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.806 9.580 6.823 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.894 10.597 6.571 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -4.141 9.804 6.507 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.297 11.799 6.022 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.552 11.002 5.956 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.627 11.996 5.716 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.034 13.192 5.168 1.00 0.00 O ATOM 0 H TYR A 80 -2.093 6.778 9.557 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.338 8.619 8.062 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.959 7.632 6.635 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.228 7.752 7.837 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.851 10.445 6.808 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.869 9.029 6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.575 12.580 5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.593 11.159 5.714 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.460 13.915 5.497 1.00 0.00 H new ATOM 1244 N GLU A 81 -0.659 10.411 9.750 1.00 0.00 N ATOM 1245 CA GLU A 81 -0.865 11.576 10.603 1.00 0.00 C ATOM 1246 C GLU A 81 -1.509 11.174 11.927 1.00 0.00 C ATOM 1247 O GLU A 81 -2.309 11.918 12.492 1.00 0.00 O ATOM 1248 CB GLU A 81 -1.741 12.609 9.890 1.00 0.00 C ATOM 1249 CG GLU A 81 -1.040 13.312 8.740 1.00 0.00 C ATOM 1250 CD GLU A 81 -1.928 14.330 8.051 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -2.862 14.841 8.704 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -1.690 14.615 6.859 1.00 0.00 O ATOM 0 H GLU A 81 0.304 10.280 9.440 1.00 0.00 H new ATOM 0 HA GLU A 81 0.109 12.018 10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.636 12.115 9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.071 13.355 10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.146 13.810 9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.711 12.570 8.012 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.154 9.989 12.415 1.00 0.00 N ATOM 1260 CA GLY A 82 -1.706 9.507 13.668 1.00 0.00 C ATOM 1261 C GLY A 82 -2.774 8.451 13.462 1.00 0.00 C ATOM 1262 O GLY A 82 -2.935 7.554 14.290 1.00 0.00 O ATOM 0 H GLY A 82 -0.494 9.354 11.965 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.904 9.094 14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.130 10.345 14.221 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.505 8.558 12.358 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.563 7.605 12.048 1.00 0.00 C ATOM 1268 C ILE A 83 -3.985 6.243 11.680 1.00 0.00 C ATOM 1269 O ILE A 83 -2.970 6.153 10.990 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.449 8.104 10.891 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.088 9.446 11.251 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.518 7.074 10.560 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.710 10.156 10.069 1.00 0.00 C ATOM 0 H ILE A 83 -3.384 9.295 11.663 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.173 7.508 12.946 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.824 8.246 10.010 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.853 9.283 12.010 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.331 10.092 11.695 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.136 7.441 9.741 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.043 6.138 10.265 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.142 6.903 11.437 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.144 11.100 10.399 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.945 10.351 9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.490 9.529 9.638 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.640 5.184 12.144 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.193 3.825 11.863 1.00 0.00 C ATOM 1287 C PHE A 84 -4.912 3.256 10.643 1.00 0.00 C ATOM 1288 O PHE A 84 -5.864 2.486 10.774 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.433 2.925 13.077 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.533 3.232 14.239 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.182 2.929 14.186 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.038 3.826 15.385 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.352 3.211 15.254 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -3.213 4.110 16.457 1.00 0.00 C ATOM 1295 CZ PHE A 84 -1.868 3.803 16.391 1.00 0.00 C ATOM 0 H PHE A 84 -5.482 5.241 12.716 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.125 3.858 11.650 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.471 3.027 13.395 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.290 1.885 12.782 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.773 2.467 13.300 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.089 4.070 15.441 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.301 2.969 15.200 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.619 4.571 17.345 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.221 4.025 17.227 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.450 3.641 9.459 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.048 3.170 8.216 1.00 0.00 C ATOM 1307 C ILE A 85 -4.699 1.708 7.958 1.00 0.00 C ATOM 1308 O ILE A 85 -3.592 1.260 8.257 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.589 4.016 7.014 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.064 3.984 6.893 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.085 5.447 7.153 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.554 4.467 5.553 1.00 0.00 C ATOM 0 H ILE A 85 -3.663 4.278 9.334 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.128 3.269 8.328 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.016 3.591 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.632 4.601 7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.716 2.965 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.752 6.032 6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.174 5.452 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.684 5.884 8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.465 4.417 5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.957 3.835 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.872 5.497 5.393 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.651 0.969 7.398 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.445 -0.443 7.096 1.00 0.00 C ATOM 1326 C LYS A 86 -5.826 -0.751 5.651 1.00 0.00 C ATOM 1327 O LYS A 86 -6.420 0.081 4.965 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.266 -1.315 8.048 1.00 0.00 C ATOM 1329 CG LYS A 86 -5.559 -1.618 9.358 1.00 0.00 C ATOM 1330 CD LYS A 86 -5.852 -0.560 10.408 1.00 0.00 C ATOM 1331 CE LYS A 86 -5.738 -1.124 11.815 1.00 0.00 C ATOM 1332 NZ LYS A 86 -6.257 -0.174 12.838 1.00 0.00 N ATOM 0 H LYS A 86 -6.573 1.324 7.144 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.387 -0.667 7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.211 -0.815 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.508 -2.254 7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.875 -2.594 9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.484 -1.675 9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.158 0.272 10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.855 -0.162 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.291 -2.061 11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.695 -1.355 12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.721 -0.289 13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.150 0.801 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.263 -0.370 13.015 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.483 -1.951 5.196 1.00 0.00 N ATOM 1347 CA ASP A 87 -5.792 -2.369 3.834 1.00 0.00 C ATOM 1348 C ASP A 87 -7.299 -2.383 3.598 1.00 0.00 C ATOM 1349 O ASP A 87 -7.763 -2.190 2.474 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.208 -3.756 3.559 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.185 -4.630 4.797 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -4.236 -4.499 5.599 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -6.115 -5.447 4.964 1.00 0.00 O ATOM 0 H ASP A 87 -4.991 -2.651 5.751 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.342 -1.651 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.795 -4.247 2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.194 -3.650 3.174 1.00 0.00 H new ATOM 1358 N SER A 88 -8.058 -2.612 4.665 1.00 0.00 N ATOM 1359 CA SER A 88 -9.512 -2.656 4.573 1.00 0.00 C ATOM 1360 C SER A 88 -10.074 -1.287 4.203 1.00 0.00 C ATOM 1361 O SER A 88 -11.098 -1.186 3.528 1.00 0.00 O ATOM 1362 CB SER A 88 -10.114 -3.126 5.899 1.00 0.00 C ATOM 1363 OG SER A 88 -11.412 -3.662 5.708 1.00 0.00 O ATOM 0 H SER A 88 -7.690 -2.770 5.603 1.00 0.00 H new ATOM 0 HA SER A 88 -9.781 -3.364 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.468 -3.880 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.161 -2.290 6.597 1.00 0.00 H new ATOM 0 HG SER A 88 -11.774 -3.957 6.570 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.396 -0.235 4.651 1.00 0.00 N ATOM 1370 CA ASN A 89 -9.827 1.129 4.368 1.00 0.00 C ATOM 1371 C ASN A 89 -9.185 1.648 3.085 1.00 0.00 C ATOM 1372 O ASN A 89 -7.992 1.452 2.853 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.473 2.051 5.537 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.311 1.769 6.770 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.390 2.335 6.943 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -9.815 0.890 7.633 1.00 0.00 N ATOM 0 H ASN A 89 -8.546 -0.301 5.211 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.909 1.121 4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.418 1.932 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.615 3.088 5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.333 0.660 8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.916 0.445 7.448 1.00 0.00 H new ATOM 1383 N SER A 90 -9.985 2.310 2.255 1.00 0.00 N ATOM 1384 CA SER A 90 -9.497 2.854 0.993 1.00 0.00 C ATOM 1385 C SER A 90 -8.881 4.234 1.199 1.00 0.00 C ATOM 1386 O SER A 90 -9.287 4.981 2.091 1.00 0.00 O ATOM 1387 CB SER A 90 -10.635 2.937 -0.026 1.00 0.00 C ATOM 1388 OG SER A 90 -11.781 3.549 0.540 1.00 0.00 O ATOM 0 H SER A 90 -10.974 2.483 2.434 1.00 0.00 H new ATOM 0 HA SER A 90 -8.726 2.185 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.307 3.505 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.888 1.936 -0.376 1.00 0.00 H new ATOM 0 HG SER A 90 -12.494 3.592 -0.131 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.899 4.567 0.369 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.226 5.858 0.458 1.00 0.00 C ATOM 1396 C LEU A 91 -8.206 7.001 0.212 1.00 0.00 C ATOM 1397 O LEU A 91 -8.250 7.968 0.972 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.079 5.928 -0.551 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.078 4.773 -0.511 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -5.493 3.673 -1.475 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -3.677 5.270 -0.837 1.00 0.00 C ATOM 0 H LEU A 91 -7.551 3.961 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.822 5.961 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.506 5.978 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.536 6.859 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.070 4.360 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.769 2.860 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.477 3.297 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.531 4.073 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.978 4.435 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.670 5.710 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.379 6.022 -0.107 1.00 0.00 H new ATOM 1413 N ALA A 92 -8.991 6.882 -0.853 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.973 7.903 -1.196 1.00 0.00 C ATOM 1415 C ALA A 92 -10.853 8.244 0.002 1.00 0.00 C ATOM 1416 O ALA A 92 -10.968 9.407 0.388 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.829 7.440 -2.367 1.00 0.00 C ATOM 0 H ALA A 92 -8.966 6.089 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.435 8.805 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.558 8.212 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.192 7.254 -3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.350 6.522 -2.096 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.471 7.223 0.585 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.343 7.416 1.738 1.00 0.00 C ATOM 1425 C TYR A 93 -11.759 8.450 2.696 1.00 0.00 C ATOM 1426 O TYR A 93 -12.386 9.471 2.982 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.555 6.090 2.470 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.351 6.225 3.749 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.758 6.701 4.912 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.695 5.875 3.795 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.480 6.826 6.083 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.425 5.998 4.961 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.814 6.473 6.102 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.538 6.595 7.266 1.00 0.00 O ATOM 0 H TYR A 93 -11.385 6.254 0.279 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.304 7.783 1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.067 5.395 1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.584 5.653 2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.714 6.978 4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.177 5.500 2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.003 7.198 6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.469 5.723 4.979 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.461 6.306 7.109 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.555 8.179 3.187 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.886 9.085 4.113 1.00 0.00 C ATOM 1446 C TYR A 94 -9.764 10.484 3.516 1.00 0.00 C ATOM 1447 O TYR A 94 -9.854 11.484 4.226 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.499 8.549 4.471 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.533 7.340 5.379 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.964 7.447 6.695 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -8.135 6.090 4.919 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.996 6.345 7.528 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.165 4.983 5.744 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.596 5.115 7.048 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.628 4.015 7.874 1.00 0.00 O ATOM 0 H TYR A 94 -10.022 7.339 2.959 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.489 9.148 5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.971 8.289 3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.927 9.340 4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.280 8.408 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.797 5.983 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.332 6.446 8.549 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.853 4.019 5.370 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.346 4.121 8.533 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.560 10.544 2.204 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.425 11.819 1.509 1.00 0.00 C ATOM 1467 C ASN A 95 -8.068 12.454 1.795 1.00 0.00 C ATOM 1468 O ASN A 95 -7.982 13.633 2.135 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.545 12.773 1.929 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.818 12.040 2.308 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -12.141 11.903 3.488 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.546 11.564 1.305 1.00 0.00 N ATOM 0 H ASN A 95 -9.485 9.725 1.601 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.499 11.630 0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.209 13.373 2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.756 13.463 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.412 11.061 1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.239 11.701 0.342 1.00 0.00 H new ATOM 1479 N MET A 96 -7.009 11.663 1.652 1.00 0.00 N ATOM 1480 CA MET A 96 -5.655 12.148 1.893 1.00 0.00 C ATOM 1481 C MET A 96 -5.322 13.311 0.965 1.00 0.00 C ATOM 1482 O MET A 96 -6.110 13.664 0.088 1.00 0.00 O ATOM 1483 CB MET A 96 -4.643 11.017 1.697 1.00 0.00 C ATOM 1484 CG MET A 96 -4.760 9.911 2.733 1.00 0.00 C ATOM 1485 SD MET A 96 -3.740 8.478 2.336 1.00 0.00 S ATOM 1486 CE MET A 96 -4.476 7.235 3.395 1.00 0.00 C ATOM 0 H MET A 96 -7.063 10.684 1.371 1.00 0.00 H new ATOM 0 HA MET A 96 -5.599 12.501 2.923 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.777 10.589 0.704 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.636 11.432 1.732 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.469 10.300 3.709 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.802 9.600 2.811 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.952 6.288 3.263 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.398 7.551 4.435 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.526 7.109 3.132 1.00 0.00 H new ATOM 1496 N ALA A 97 -4.149 13.904 1.164 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.711 15.027 0.344 1.00 0.00 C ATOM 1498 C ALA A 97 -2.328 14.770 -0.244 1.00 0.00 C ATOM 1499 O ALA A 97 -1.442 14.248 0.433 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.709 16.309 1.162 1.00 0.00 C ATOM 0 H ALA A 97 -3.485 13.625 1.886 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.414 15.138 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.380 17.139 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.716 16.508 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.030 16.200 2.008 1.00 0.00 H new ATOM 1506 N SER A 98 -2.149 15.140 -1.508 1.00 0.00 N ATOM 1507 CA SER A 98 -0.874 14.946 -2.189 1.00 0.00 C ATOM 1508 C SER A 98 0.293 15.203 -1.240 1.00 0.00 C ATOM 1509 O SER A 98 0.170 15.959 -0.277 1.00 0.00 O ATOM 1510 CB SER A 98 -0.773 15.871 -3.403 1.00 0.00 C ATOM 1511 OG SER A 98 -0.823 17.232 -3.011 1.00 0.00 O ATOM 0 H SER A 98 -2.871 15.576 -2.082 1.00 0.00 H new ATOM 0 HA SER A 98 -0.824 13.911 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.158 15.677 -3.936 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.588 15.658 -4.095 1.00 0.00 H new ATOM 0 HG SER A 98 -0.755 17.804 -3.804 1.00 0.00 H new ATOM 1517 N GLY A 99 1.427 14.568 -1.521 1.00 0.00 N ATOM 1518 CA GLY A 99 2.600 14.741 -0.684 1.00 0.00 C ATOM 1519 C GLY A 99 2.379 14.249 0.732 1.00 0.00 C ATOM 1520 O GLY A 99 2.867 14.851 1.688 1.00 0.00 O ATOM 0 H GLY A 99 1.554 13.937 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.440 14.204 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.873 15.796 -0.660 1.00 0.00 H new ATOM 1524 N ALA A 100 1.641 13.152 0.868 1.00 0.00 N ATOM 1525 CA ALA A 100 1.357 12.580 2.178 1.00 0.00 C ATOM 1526 C ALA A 100 2.587 11.883 2.751 1.00 0.00 C ATOM 1527 O ALA A 100 3.597 11.722 2.066 1.00 0.00 O ATOM 1528 CB ALA A 100 0.191 11.606 2.087 1.00 0.00 C ATOM 0 H ALA A 100 1.229 12.642 0.087 1.00 0.00 H new ATOM 0 HA ALA A 100 1.086 13.393 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.010 11.186 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.694 12.131 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.441 10.802 1.395 1.00 0.00 H new ATOM 1534 N VAL A 101 2.495 11.472 4.012 1.00 0.00 N ATOM 1535 CA VAL A 101 3.600 10.792 4.677 1.00 0.00 C ATOM 1536 C VAL A 101 3.091 9.704 5.615 1.00 0.00 C ATOM 1537 O VAL A 101 2.555 9.994 6.685 1.00 0.00 O ATOM 1538 CB VAL A 101 4.467 11.781 5.478 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.663 12.400 6.611 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.711 11.087 6.013 1.00 0.00 C ATOM 0 H VAL A 101 1.666 11.598 4.593 1.00 0.00 H new ATOM 0 HA VAL A 101 4.209 10.338 3.895 1.00 0.00 H new ATOM 0 HB VAL A 101 4.785 12.582 4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.292 13.096 7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.806 12.934 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.313 11.614 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.312 11.801 6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.417 10.265 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.297 10.697 5.180 1.00 0.00 H new ATOM 1550 N ILE A 102 3.262 8.451 5.208 1.00 0.00 N ATOM 1551 CA ILE A 102 2.821 7.319 6.013 1.00 0.00 C ATOM 1552 C ILE A 102 3.938 6.827 6.928 1.00 0.00 C ATOM 1553 O ILE A 102 4.962 6.325 6.461 1.00 0.00 O ATOM 1554 CB ILE A 102 2.344 6.151 5.130 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.225 6.614 4.195 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.874 4.991 5.995 1.00 0.00 C ATOM 1557 CD1 ILE A 102 -0.078 6.899 4.908 1.00 0.00 C ATOM 0 H ILE A 102 3.703 8.194 4.325 1.00 0.00 H new ATOM 0 HA ILE A 102 1.986 7.670 6.619 1.00 0.00 H new ATOM 0 HB ILE A 102 3.181 5.809 4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.548 7.514 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.056 5.849 3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.540 4.173 5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.697 4.649 6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.048 5.319 6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.826 7.222 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.424 5.995 5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.076 7.686 5.647 1.00 0.00 H new ATOM 1569 N HIS A 103 3.734 6.972 8.233 1.00 0.00 N ATOM 1570 CA HIS A 103 4.723 6.540 9.215 1.00 0.00 C ATOM 1571 C HIS A 103 4.613 5.040 9.472 1.00 0.00 C ATOM 1572 O HIS A 103 3.522 4.518 9.709 1.00 0.00 O ATOM 1573 CB HIS A 103 4.543 7.309 10.524 1.00 0.00 C ATOM 1574 CG HIS A 103 4.706 8.790 10.376 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.901 9.442 10.600 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.818 9.748 10.021 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.739 10.736 10.392 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.484 10.948 10.039 1.00 0.00 N ATOM 0 H HIS A 103 2.893 7.385 8.636 1.00 0.00 H new ATOM 0 HA HIS A 103 5.714 6.750 8.813 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.552 7.099 10.926 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.266 6.943 11.253 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.779 9.596 9.770 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.503 11.493 10.493 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.076 11.856 9.816 1.00 0.00 H new ATOM 1587 N LEU A 104 5.748 4.352 9.425 1.00 0.00 N ATOM 1588 CA LEU A 104 5.779 2.911 9.653 1.00 0.00 C ATOM 1589 C LEU A 104 6.003 2.598 11.128 1.00 0.00 C ATOM 1590 O LEU A 104 6.811 3.245 11.795 1.00 0.00 O ATOM 1591 CB LEU A 104 6.880 2.265 8.810 1.00 0.00 C ATOM 1592 CG LEU A 104 6.908 0.737 8.799 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.694 0.186 8.067 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.193 0.231 8.160 1.00 0.00 C ATOM 0 H LEU A 104 6.659 4.768 9.231 1.00 0.00 H new ATOM 0 HA LEU A 104 4.814 2.500 9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.775 2.614 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.844 2.623 9.171 1.00 0.00 H new ATOM 0 HG LEU A 104 6.876 0.385 9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.731 -0.903 8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.785 0.519 8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.695 0.547 7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.195 -0.859 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.256 0.593 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.049 0.596 8.727 1.00 0.00 H new ATOM 1606 N ALA A 105 5.284 1.600 11.632 1.00 0.00 N ATOM 1607 CA ALA A 105 5.408 1.198 13.028 1.00 0.00 C ATOM 1608 C ALA A 105 5.106 -0.286 13.200 1.00 0.00 C ATOM 1609 O ALA A 105 4.440 -0.897 12.363 1.00 0.00 O ATOM 1610 CB ALA A 105 4.482 2.032 13.901 1.00 0.00 C ATOM 0 H ALA A 105 4.610 1.055 11.094 1.00 0.00 H new ATOM 0 HA ALA A 105 6.438 1.371 13.341 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.585 1.721 14.941 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.746 3.085 13.809 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.451 1.887 13.579 1.00 0.00 H new ATOM 1616 N LEU A 106 5.601 -0.863 14.290 1.00 0.00 N ATOM 1617 CA LEU A 106 5.384 -2.278 14.572 1.00 0.00 C ATOM 1618 C LEU A 106 4.014 -2.504 15.202 1.00 0.00 C ATOM 1619 O LEU A 106 3.658 -1.860 16.189 1.00 0.00 O ATOM 1620 CB LEU A 106 6.479 -2.806 15.502 1.00 0.00 C ATOM 1621 CG LEU A 106 7.696 -3.430 14.819 1.00 0.00 C ATOM 1622 CD1 LEU A 106 8.716 -3.880 15.853 1.00 0.00 C ATOM 1623 CD2 LEU A 106 7.273 -4.598 13.940 1.00 0.00 C ATOM 0 H LEU A 106 6.155 -0.373 14.992 1.00 0.00 H new ATOM 0 HA LEU A 106 5.423 -2.822 13.628 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.822 -1.984 16.130 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.037 -3.551 16.164 1.00 0.00 H new ATOM 0 HG LEU A 106 8.161 -2.674 14.186 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.575 -4.322 15.348 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.042 -3.021 16.440 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.263 -4.620 16.513 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.152 -5.030 13.462 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.784 -5.356 14.552 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.580 -4.246 13.176 1.00 0.00 H new ATOM 1635 N LYS A 107 3.248 -3.425 14.626 1.00 0.00 N ATOM 1636 CA LYS A 107 1.917 -3.740 15.131 1.00 0.00 C ATOM 1637 C LYS A 107 1.990 -4.271 16.559 1.00 0.00 C ATOM 1638 O LYS A 107 2.966 -4.915 16.942 1.00 0.00 O ATOM 1639 CB LYS A 107 1.236 -4.769 14.227 1.00 0.00 C ATOM 1640 CG LYS A 107 -0.109 -5.242 14.749 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.692 -6.341 13.875 1.00 0.00 C ATOM 1642 CE LYS A 107 -2.085 -6.739 14.337 1.00 0.00 C ATOM 1643 NZ LYS A 107 -3.143 -5.929 13.671 1.00 0.00 N ATOM 0 H LYS A 107 3.527 -3.967 13.808 1.00 0.00 H new ATOM 0 HA LYS A 107 1.329 -2.822 15.132 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.100 -4.336 13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.894 -5.630 14.111 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.004 -5.609 15.769 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.801 -4.401 14.788 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.734 -6.001 12.840 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.037 -7.212 13.898 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.250 -7.796 14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.159 -6.615 15.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.078 -6.231 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.001 -4.923 13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.090 -6.067 12.642 1.00 0.00 H new