USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 774 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 77 HIS : no HE2:sc= 0.319 K(o=0.61,f=-2.2) USER MOD Set 1.2: B 159 THR OG1 : rot 180:sc= 0.295 USER MOD Set 2.1: A 85 GLN : amide:sc= -1.91! C(o=-1.5!,f=-5.2!) USER MOD Set 2.2: B 160 GLN : amide:sc= 0.417 K(o=-1.5,f=-5.4!) USER MOD Set 3.1: A 79 GLN : amide:sc= 0.696 K(o=1.7,f=-6!) USER MOD Set 3.2: A 82 LYS NZ :NH3+ 171:sc= 1.01 (180deg=-0.0459) USER MOD Set 4.1: A 30 THR OG1 : rot -150:sc= -0.219 USER MOD Set 4.2: A 44 LYS NZ :NH3+ 159:sc= 0.89 (180deg=-0.0195) USER MOD Set 4.3: A 45 SER OG : rot -24:sc= 0.697 USER MOD Single : A 5 THR OG1 : rot -54:sc= 0.369 USER MOD Single : A 7 ASN : amide:sc= 0.379 K(o=0.38,f=-0.44) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= -0.138 (180deg=-1.56!) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0593) USER MOD Single : A 17 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-3.1) USER MOD Single : A 18 THR OG1 : rot -100:sc= -0.641 USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.133 (180deg=-0.73) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= -1.43 (180deg=-1.54) USER MOD Single : A 23 SER OG : rot 75:sc= 1.25 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 144:sc= -3.28! (180deg=-5.34!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.288 USER MOD Single : A 66 SER OG : rot 115:sc= 0.862 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0409 F(o=-1.4!,f=-0.041) USER MOD Single : A 70 THR OG1 : rot -11:sc= 0.714 USER MOD Single : A 71 CYS SG : rot -90:sc= -0.231 USER MOD Single : A 75 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-2.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -82:sc= 1.31 USER MOD Single : A 92 SER OG : rot -170:sc= -2.4! USER MOD Single : A 98 CYS SG : rot -141:sc= -0.495 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 5 110.996 12.414 -6.215 1.00 0.00 N ATOM 121 CA THR A 5 110.118 13.378 -5.594 1.00 0.00 C ATOM 122 C THR A 5 109.278 12.700 -4.466 1.00 0.00 C ATOM 123 O THR A 5 108.078 12.959 -4.322 1.00 0.00 O ATOM 124 CB THR A 5 109.216 14.090 -6.646 1.00 0.00 C ATOM 125 OG1 THR A 5 108.438 15.139 -6.045 1.00 0.00 O ATOM 126 CG2 THR A 5 108.307 13.103 -7.361 1.00 0.00 C ATOM 0 HA THR A 5 110.730 14.153 -5.134 1.00 0.00 H new ATOM 0 HB THR A 5 109.881 14.537 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 5 107.938 14.780 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 5 107.692 13.635 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 5 108.913 12.357 -7.875 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.663 12.609 -6.634 1.00 0.00 H new ATOM 134 N ARG A 6 109.949 11.787 -3.691 1.00 0.00 N ATOM 135 CA ARG A 6 109.400 11.073 -2.477 1.00 0.00 C ATOM 136 C ARG A 6 108.090 10.324 -2.747 1.00 0.00 C ATOM 137 O ARG A 6 107.354 9.951 -1.852 1.00 0.00 O ATOM 138 CB ARG A 6 109.223 12.069 -1.356 1.00 0.00 C ATOM 139 CG ARG A 6 107.966 12.893 -1.408 1.00 0.00 C ATOM 140 CD ARG A 6 108.058 13.953 -0.418 1.00 0.00 C ATOM 141 NE ARG A 6 106.848 14.764 -0.342 1.00 0.00 N ATOM 142 CZ ARG A 6 106.694 15.836 0.435 1.00 0.00 C ATOM 143 NH1 ARG A 6 107.675 16.221 1.253 1.00 0.00 N ATOM 144 NH2 ARG A 6 105.547 16.511 0.408 1.00 0.00 N ATOM 0 H ARG A 6 110.911 11.518 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 6 110.124 10.308 -2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 6 109.243 11.530 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 6 110.079 12.744 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 6 107.834 13.317 -2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 6 107.096 12.267 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 6 108.257 13.514 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 6 108.905 14.595 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 6 106.060 14.490 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 6 108.548 15.694 1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 6 107.552 17.042 1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 6 104.791 16.207 -0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 6 105.424 17.332 1.001 1.00 0.00 H new ATOM 158 N ASN A 7 107.808 10.140 -3.943 1.00 0.00 N ATOM 159 CA ASN A 7 106.596 9.447 -4.344 1.00 0.00 C ATOM 160 C ASN A 7 106.780 7.961 -4.599 1.00 0.00 C ATOM 161 O ASN A 7 107.430 7.542 -5.546 1.00 0.00 O ATOM 162 CB ASN A 7 105.940 10.103 -5.561 1.00 0.00 C ATOM 163 CG ASN A 7 104.859 11.090 -5.186 1.00 0.00 C ATOM 164 OD1 ASN A 7 103.686 10.731 -5.080 1.00 0.00 O ATOM 165 ND2 ASN A 7 105.225 12.306 -4.981 1.00 0.00 N ATOM 0 H ASN A 7 108.390 10.453 -4.720 1.00 0.00 H new ATOM 0 HA ASN A 7 105.935 9.538 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 7 106.704 10.614 -6.148 1.00 0.00 H new ATOM 0 HB3 ASN A 7 105.513 9.329 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 7 104.534 13.010 -4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 7 106.206 12.567 -5.078 1.00 0.00 H new ATOM 172 N PRO A 8 106.153 7.105 -3.770 1.00 0.00 N ATOM 173 CA PRO A 8 106.102 5.672 -4.047 1.00 0.00 C ATOM 174 C PRO A 8 105.457 5.449 -5.364 1.00 0.00 C ATOM 175 O PRO A 8 105.704 4.479 -6.066 1.00 0.00 O ATOM 176 CB PRO A 8 105.100 5.148 -3.079 1.00 0.00 C ATOM 177 CG PRO A 8 104.737 6.225 -2.126 1.00 0.00 C ATOM 178 CD PRO A 8 105.517 7.439 -2.473 1.00 0.00 C ATOM 0 HA PRO A 8 107.097 5.228 -4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 8 104.213 4.799 -3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.508 4.292 -2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.668 6.433 -2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.952 5.915 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.874 8.315 -2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 8 106.262 7.665 -1.710 1.00 0.00 H new ATOM 186 N SER A 9 104.594 6.360 -5.648 1.00 0.00 N ATOM 187 CA SER A 9 103.804 6.322 -6.760 1.00 0.00 C ATOM 188 C SER A 9 104.623 6.634 -8.047 1.00 0.00 C ATOM 189 O SER A 9 104.249 6.210 -9.145 1.00 0.00 O ATOM 190 CB SER A 9 102.672 7.293 -6.554 1.00 0.00 C ATOM 191 OG SER A 9 101.732 7.257 -7.607 1.00 0.00 O ATOM 0 H SER A 9 104.436 7.180 -5.062 1.00 0.00 H new ATOM 0 HA SER A 9 103.399 5.320 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 9 102.169 7.066 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 9 103.074 8.302 -6.465 1.00 0.00 H new ATOM 0 HG SER A 9 101.016 7.902 -7.429 1.00 0.00 H new ATOM 197 N GLU A 10 105.743 7.377 -7.910 1.00 0.00 N ATOM 198 CA GLU A 10 106.572 7.672 -9.063 1.00 0.00 C ATOM 199 C GLU A 10 107.354 6.424 -9.390 1.00 0.00 C ATOM 200 O GLU A 10 107.607 6.118 -10.561 1.00 0.00 O ATOM 201 CB GLU A 10 107.521 8.879 -8.810 1.00 0.00 C ATOM 202 CG GLU A 10 108.674 8.620 -7.846 1.00 0.00 C ATOM 203 CD GLU A 10 109.422 9.845 -7.478 1.00 0.00 C ATOM 204 OE1 GLU A 10 109.864 10.564 -8.392 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.536 10.144 -6.258 1.00 0.00 O ATOM 0 H GLU A 10 106.075 7.768 -7.028 1.00 0.00 H new ATOM 0 HA GLU A 10 105.941 7.961 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 10 107.935 9.199 -9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 10 106.929 9.709 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 10 108.283 8.157 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 10 109.362 7.906 -8.298 1.00 0.00 H new ATOM 212 N LEU A 11 107.717 5.691 -8.327 1.00 0.00 N ATOM 213 CA LEU A 11 108.419 4.434 -8.443 1.00 0.00 C ATOM 214 C LEU A 11 107.679 3.459 -9.330 1.00 0.00 C ATOM 215 O LEU A 11 106.454 3.257 -9.224 1.00 0.00 O ATOM 216 CB LEU A 11 108.722 3.851 -7.071 1.00 0.00 C ATOM 217 CG LEU A 11 109.714 4.659 -6.219 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.870 4.037 -4.853 1.00 0.00 C ATOM 219 CD2 LEU A 11 111.071 4.741 -6.911 1.00 0.00 C ATOM 0 H LEU A 11 107.524 5.967 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 11 109.375 4.628 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 11 107.787 3.758 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 11 109.117 2.844 -7.202 1.00 0.00 H new ATOM 0 HG LEU A 11 109.317 5.668 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.576 4.623 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 11 108.904 4.020 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.243 3.018 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 11 111.760 5.317 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.467 3.736 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 11 110.957 5.229 -7.879 1.00 0.00 H new ATOM 231 N LYS A 12 108.441 2.917 -10.240 1.00 0.00 N ATOM 232 CA LYS A 12 107.968 2.017 -11.269 1.00 0.00 C ATOM 233 C LYS A 12 107.582 0.663 -10.714 1.00 0.00 C ATOM 234 O LYS A 12 107.880 0.339 -9.567 1.00 0.00 O ATOM 235 CB LYS A 12 109.032 1.834 -12.342 1.00 0.00 C ATOM 236 CG LYS A 12 110.299 1.242 -11.797 1.00 0.00 C ATOM 237 CD LYS A 12 111.261 0.731 -12.873 1.00 0.00 C ATOM 238 CE LYS A 12 111.958 1.841 -13.688 1.00 0.00 C ATOM 239 NZ LYS A 12 111.081 2.515 -14.670 1.00 0.00 N ATOM 0 H LYS A 12 109.444 3.093 -10.292 1.00 0.00 H new ATOM 0 HA LYS A 12 107.076 2.471 -11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 12 108.642 1.189 -13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 12 109.252 2.799 -12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 12 110.810 1.994 -11.195 1.00 0.00 H new ATOM 0 HG3 LYS A 12 110.045 0.418 -11.130 1.00 0.00 H new ATOM 0 HD2 LYS A 12 112.023 0.114 -12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 12 110.711 0.086 -13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 12 112.354 2.587 -12.999 1.00 0.00 H new ATOM 0 HE3 LYS A 12 112.809 1.409 -14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 111.621 2.718 -15.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 110.278 1.896 -14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 110.727 3.405 -14.266 1.00 0.00 H new ATOM 253 N GLY A 13 106.974 -0.130 -11.558 1.00 0.00 N ATOM 254 CA GLY A 13 106.531 -1.432 -11.177 1.00 0.00 C ATOM 255 C GLY A 13 105.210 -1.391 -10.457 1.00 0.00 C ATOM 256 O GLY A 13 104.175 -1.078 -11.052 1.00 0.00 O ATOM 0 H GLY A 13 106.775 0.116 -12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.441 -2.058 -12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.280 -1.896 -10.535 1.00 0.00 H new ATOM 260 N LYS A 14 105.241 -1.663 -9.192 1.00 0.00 N ATOM 261 CA LYS A 14 104.054 -1.733 -8.371 1.00 0.00 C ATOM 262 C LYS A 14 104.353 -1.276 -6.962 1.00 0.00 C ATOM 263 O LYS A 14 105.424 -1.526 -6.442 1.00 0.00 O ATOM 264 CB LYS A 14 103.494 -3.162 -8.376 1.00 0.00 C ATOM 265 CG LYS A 14 104.552 -4.221 -8.126 1.00 0.00 C ATOM 266 CD LYS A 14 104.615 -5.234 -9.259 1.00 0.00 C ATOM 267 CE LYS A 14 103.365 -6.096 -9.331 1.00 0.00 C ATOM 268 NZ LYS A 14 103.254 -7.028 -8.193 1.00 0.00 N ATOM 0 H LYS A 14 106.104 -1.848 -8.681 1.00 0.00 H new ATOM 0 HA LYS A 14 103.300 -1.065 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 14 102.720 -3.244 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.017 -3.355 -9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.525 -3.743 -8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.337 -4.736 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 14 104.747 -4.710 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 14 105.487 -5.873 -9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 14 102.485 -5.453 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 14 103.372 -6.663 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 102.474 -7.694 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 104.144 -7.557 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 103.066 -6.492 -7.322 1.00 0.00 H new ATOM 282 N PHE A 15 103.405 -0.645 -6.372 1.00 0.00 N ATOM 283 CA PHE A 15 103.489 -0.099 -5.061 1.00 0.00 C ATOM 284 C PHE A 15 102.593 -0.927 -4.179 1.00 0.00 C ATOM 285 O PHE A 15 101.359 -0.910 -4.322 1.00 0.00 O ATOM 286 CB PHE A 15 103.009 1.349 -5.149 1.00 0.00 C ATOM 287 CG PHE A 15 102.860 2.132 -3.870 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.540 1.799 -2.708 1.00 0.00 C ATOM 289 CD2 PHE A 15 102.021 3.227 -3.859 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.375 2.553 -1.560 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.855 3.989 -2.728 1.00 0.00 C ATOM 292 CZ PHE A 15 102.528 3.656 -1.573 1.00 0.00 C ATOM 0 H PHE A 15 102.499 -0.485 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 15 104.499 -0.113 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.703 1.891 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 15 102.043 1.349 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.202 0.946 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.484 3.491 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 15 103.902 2.286 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.199 4.847 -2.744 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.398 4.250 -0.680 1.00 0.00 H new ATOM 302 N ILE A 16 103.187 -1.651 -3.298 1.00 0.00 N ATOM 303 CA ILE A 16 102.465 -2.529 -2.436 1.00 0.00 C ATOM 304 C ILE A 16 102.737 -2.247 -0.980 1.00 0.00 C ATOM 305 O ILE A 16 103.824 -1.817 -0.590 1.00 0.00 O ATOM 306 CB ILE A 16 102.660 -4.058 -2.735 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.151 -4.475 -2.866 1.00 0.00 C ATOM 308 CG2 ILE A 16 101.847 -4.496 -3.952 1.00 0.00 C ATOM 309 CD1 ILE A 16 104.826 -4.085 -4.191 1.00 0.00 C ATOM 0 H ILE A 16 104.196 -1.653 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 16 101.421 -2.308 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 16 102.277 -4.587 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 16 104.711 -4.026 -2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.221 -5.556 -2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.005 -5.560 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 16 100.789 -4.312 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.167 -3.929 -4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 16 105.863 -4.420 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.298 -4.556 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 16 104.796 -3.002 -4.310 1.00 0.00 H new ATOM 321 N HIS A 17 101.735 -2.481 -0.207 1.00 0.00 N ATOM 322 CA HIS A 17 101.724 -2.282 1.213 1.00 0.00 C ATOM 323 C HIS A 17 101.486 -3.652 1.822 1.00 0.00 C ATOM 324 O HIS A 17 100.362 -4.158 1.827 1.00 0.00 O ATOM 325 CB HIS A 17 100.561 -1.329 1.474 1.00 0.00 C ATOM 326 CG HIS A 17 100.242 -0.903 2.882 1.00 0.00 C ATOM 327 ND1 HIS A 17 100.381 0.395 3.333 1.00 0.00 N ATOM 328 CD2 HIS A 17 99.632 -1.573 3.882 1.00 0.00 C ATOM 329 CE1 HIS A 17 99.857 0.472 4.553 1.00 0.00 C ATOM 330 NE2 HIS A 17 99.381 -0.697 4.939 1.00 0.00 N ATOM 0 H HIS A 17 100.847 -2.837 -0.562 1.00 0.00 H new ATOM 0 HA HIS A 17 102.639 -1.864 1.633 1.00 0.00 H new ATOM 0 HB2 HIS A 17 100.746 -0.424 0.895 1.00 0.00 H new ATOM 0 HB3 HIS A 17 99.664 -1.792 1.064 1.00 0.00 H new ATOM 0 HD2 HIS A 17 99.378 -2.623 3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 17 99.825 1.372 5.149 1.00 0.00 H new ATOM 0 HE2 HIS A 17 98.925 -0.915 5.825 1.00 0.00 H new ATOM 338 N THR A 18 102.526 -4.265 2.263 1.00 0.00 N ATOM 339 CA THR A 18 102.428 -5.612 2.772 1.00 0.00 C ATOM 340 C THR A 18 103.093 -5.745 4.156 1.00 0.00 C ATOM 341 O THR A 18 104.157 -5.206 4.407 1.00 0.00 O ATOM 342 CB THR A 18 103.003 -6.643 1.746 1.00 0.00 C ATOM 343 OG1 THR A 18 102.636 -7.975 2.123 1.00 0.00 O ATOM 344 CG2 THR A 18 104.529 -6.547 1.614 1.00 0.00 C ATOM 0 H THR A 18 103.464 -3.865 2.287 1.00 0.00 H new ATOM 0 HA THR A 18 101.371 -5.841 2.907 1.00 0.00 H new ATOM 0 HB THR A 18 102.571 -6.400 0.775 1.00 0.00 H new ATOM 0 HG1 THR A 18 103.391 -8.407 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 18 104.879 -7.283 0.890 1.00 0.00 H new ATOM 0 HG22 THR A 18 104.803 -5.548 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 18 104.991 -6.742 2.582 1.00 0.00 H new ATOM 352 N LYS A 19 102.426 -6.445 5.031 1.00 0.00 N ATOM 353 CA LYS A 19 102.838 -6.630 6.403 1.00 0.00 C ATOM 354 C LYS A 19 104.018 -7.580 6.520 1.00 0.00 C ATOM 355 O LYS A 19 104.027 -8.660 5.921 1.00 0.00 O ATOM 356 CB LYS A 19 101.606 -7.131 7.209 1.00 0.00 C ATOM 357 CG LYS A 19 101.741 -7.406 8.734 1.00 0.00 C ATOM 358 CD LYS A 19 102.578 -8.651 9.075 1.00 0.00 C ATOM 359 CE LYS A 19 102.129 -9.297 10.374 1.00 0.00 C ATOM 360 NZ LYS A 19 100.724 -9.786 10.292 1.00 0.00 N ATOM 0 H LYS A 19 101.552 -6.920 4.806 1.00 0.00 H new ATOM 0 HA LYS A 19 103.186 -5.682 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.812 -6.396 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.264 -8.054 6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.192 -6.536 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.745 -7.523 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.499 -9.375 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.629 -8.372 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.790 -10.130 10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.216 -8.577 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.589 -10.569 10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.072 -9.011 10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.528 -10.120 9.327 1.00 0.00 H new ATOM 374 N LEU A 20 104.996 -7.175 7.304 1.00 0.00 N ATOM 375 CA LEU A 20 106.102 -8.015 7.616 1.00 0.00 C ATOM 376 C LEU A 20 106.186 -8.105 9.100 1.00 0.00 C ATOM 377 O LEU A 20 106.026 -7.091 9.818 1.00 0.00 O ATOM 378 CB LEU A 20 107.416 -7.510 7.030 1.00 0.00 C ATOM 379 CG LEU A 20 108.168 -8.529 6.180 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.340 -9.003 5.001 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.461 -7.946 5.708 1.00 0.00 C ATOM 0 H LEU A 20 105.034 -6.252 7.736 1.00 0.00 H new ATOM 0 HA LEU A 20 105.941 -8.996 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.212 -6.629 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.063 -7.190 7.847 1.00 0.00 H new ATOM 0 HG LEU A 20 108.371 -9.399 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.913 -9.727 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.425 -9.471 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 20 107.087 -8.152 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 20 109.991 -8.680 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.262 -7.057 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.073 -7.675 6.568 1.00 0.00 H new ATOM 393 N ARG A 21 106.364 -9.280 9.576 1.00 0.00 N ATOM 394 CA ARG A 21 106.400 -9.511 10.958 1.00 0.00 C ATOM 395 C ARG A 21 107.840 -9.475 11.471 1.00 0.00 C ATOM 396 O ARG A 21 108.657 -10.276 11.041 1.00 0.00 O ATOM 397 CB ARG A 21 105.779 -10.871 11.266 1.00 0.00 C ATOM 398 CG ARG A 21 105.677 -11.180 12.742 1.00 0.00 C ATOM 399 CD ARG A 21 105.245 -12.605 12.977 1.00 0.00 C ATOM 400 NE ARG A 21 105.199 -12.918 14.413 1.00 0.00 N ATOM 401 CZ ARG A 21 105.973 -13.833 15.027 1.00 0.00 C ATOM 402 NH1 ARG A 21 106.900 -14.509 14.330 1.00 0.00 N ATOM 403 NH2 ARG A 21 105.831 -14.053 16.339 1.00 0.00 N ATOM 0 H ARG A 21 106.490 -10.115 9.004 1.00 0.00 H new ATOM 0 HA ARG A 21 105.832 -8.727 11.459 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.782 -10.912 10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 21 106.372 -11.648 10.783 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.642 -11.007 13.219 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.964 -10.500 13.209 1.00 0.00 H new ATOM 0 HD2 ARG A 21 104.262 -12.767 12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.935 -13.284 12.476 1.00 0.00 H new ATOM 0 HE ARG A 21 104.531 -12.404 14.987 1.00 0.00 H new ATOM 0 HH11 ARG A 21 107.019 -14.330 13.333 1.00 0.00 H new ATOM 0 HH12 ARG A 21 107.485 -15.202 14.797 1.00 0.00 H new ATOM 0 HH21 ARG A 21 105.138 -13.528 16.872 1.00 0.00 H new ATOM 0 HH22 ARG A 21 106.416 -14.746 16.806 1.00 0.00 H new ATOM 417 N LYS A 22 108.137 -8.490 12.309 1.00 0.00 N ATOM 418 CA LYS A 22 109.364 -8.402 13.098 1.00 0.00 C ATOM 419 C LYS A 22 109.717 -9.719 13.686 1.00 0.00 C ATOM 420 O LYS A 22 109.146 -10.116 14.722 1.00 0.00 O ATOM 421 CB LYS A 22 109.165 -7.435 14.248 1.00 0.00 C ATOM 422 CG LYS A 22 109.615 -6.040 13.976 1.00 0.00 C ATOM 423 CD LYS A 22 108.892 -5.362 12.822 1.00 0.00 C ATOM 424 CE LYS A 22 107.502 -4.876 13.193 1.00 0.00 C ATOM 425 NZ LYS A 22 107.506 -3.688 14.088 1.00 0.00 N ATOM 0 H LYS A 22 107.509 -7.701 12.465 1.00 0.00 H new ATOM 0 HA LYS A 22 110.159 -8.067 12.432 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.107 -7.416 14.510 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.702 -7.812 15.118 1.00 0.00 H new ATOM 0 HG2 LYS A 22 109.475 -5.443 14.877 1.00 0.00 H new ATOM 0 HG3 LYS A 22 110.684 -6.051 13.763 1.00 0.00 H new ATOM 0 HD2 LYS A 22 109.486 -4.516 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 22 108.816 -6.060 11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 22 106.956 -4.632 12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 22 106.961 -5.687 13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 106.530 -3.359 14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 107.924 -3.946 15.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 108.067 -2.928 13.653 1.00 0.00 H new ATOM 439 N SER A 23 110.629 -10.368 13.033 1.00 0.00 N ATOM 440 CA SER A 23 111.123 -11.646 13.395 1.00 0.00 C ATOM 441 C SER A 23 112.620 -11.501 13.682 1.00 0.00 C ATOM 442 O SER A 23 113.367 -10.987 12.845 1.00 0.00 O ATOM 443 CB SER A 23 110.840 -12.626 12.239 1.00 0.00 C ATOM 444 OG SER A 23 109.437 -12.703 11.993 1.00 0.00 O ATOM 0 H SER A 23 111.067 -9.996 12.191 1.00 0.00 H new ATOM 0 HA SER A 23 110.637 -12.040 14.288 1.00 0.00 H new ATOM 0 HB2 SER A 23 111.357 -12.297 11.338 1.00 0.00 H new ATOM 0 HB3 SER A 23 111.228 -13.614 12.486 1.00 0.00 H new ATOM 0 HG SER A 23 109.141 -11.891 11.532 1.00 0.00 H new ATOM 450 N SER A 24 113.035 -11.936 14.877 1.00 0.00 N ATOM 451 CA SER A 24 114.399 -11.760 15.373 1.00 0.00 C ATOM 452 C SER A 24 114.782 -10.262 15.425 1.00 0.00 C ATOM 453 O SER A 24 115.835 -9.846 14.946 1.00 0.00 O ATOM 454 CB SER A 24 115.377 -12.584 14.548 1.00 0.00 C ATOM 455 OG SER A 24 114.963 -13.950 14.540 1.00 0.00 O ATOM 0 H SER A 24 112.425 -12.425 15.532 1.00 0.00 H new ATOM 0 HA SER A 24 114.451 -12.130 16.397 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.422 -12.201 13.529 1.00 0.00 H new ATOM 0 HB3 SER A 24 116.381 -12.500 14.964 1.00 0.00 H new ATOM 0 HG SER A 24 115.592 -14.479 14.007 1.00 0.00 H new ATOM 461 N ARG A 25 113.865 -9.477 15.999 1.00 0.00 N ATOM 462 CA ARG A 25 113.964 -8.034 16.216 1.00 0.00 C ATOM 463 C ARG A 25 113.541 -7.269 15.018 1.00 0.00 C ATOM 464 O ARG A 25 112.543 -6.582 15.050 1.00 0.00 O ATOM 465 CB ARG A 25 115.328 -7.507 16.744 1.00 0.00 C ATOM 466 CG ARG A 25 115.625 -7.787 18.207 1.00 0.00 C ATOM 467 CD ARG A 25 116.063 -9.204 18.458 1.00 0.00 C ATOM 468 NE ARG A 25 116.276 -9.450 19.885 1.00 0.00 N ATOM 469 CZ ARG A 25 117.312 -10.117 20.408 1.00 0.00 C ATOM 470 NH1 ARG A 25 118.292 -10.572 19.629 1.00 0.00 N ATOM 471 NH2 ARG A 25 117.377 -10.303 21.712 1.00 0.00 N ATOM 0 H ARG A 25 112.983 -9.856 16.344 1.00 0.00 H new ATOM 0 HA ARG A 25 113.267 -7.859 17.035 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.123 -7.946 16.141 1.00 0.00 H new ATOM 0 HB3 ARG A 25 115.365 -6.429 16.585 1.00 0.00 H new ATOM 0 HG2 ARG A 25 116.403 -7.106 18.551 1.00 0.00 H new ATOM 0 HG3 ARG A 25 114.734 -7.578 18.799 1.00 0.00 H new ATOM 0 HD2 ARG A 25 115.309 -9.893 18.077 1.00 0.00 H new ATOM 0 HD3 ARG A 25 116.984 -9.405 17.911 1.00 0.00 H new ATOM 0 HE ARG A 25 115.579 -9.084 20.533 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.258 -10.414 18.622 1.00 0.00 H new ATOM 0 HH12 ARG A 25 119.076 -11.079 20.040 1.00 0.00 H new ATOM 0 HH21 ARG A 25 116.640 -9.939 22.316 1.00 0.00 H new ATOM 0 HH22 ARG A 25 118.164 -10.811 22.116 1.00 0.00 H new ATOM 485 N GLY A 26 114.249 -7.448 13.962 1.00 0.00 N ATOM 486 CA GLY A 26 113.997 -6.704 12.796 1.00 0.00 C ATOM 487 C GLY A 26 113.219 -7.489 11.820 1.00 0.00 C ATOM 488 O GLY A 26 112.080 -7.884 12.068 1.00 0.00 O ATOM 0 H GLY A 26 115.017 -8.115 13.888 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.453 -5.795 13.052 1.00 0.00 H new ATOM 0 HA3 GLY A 26 114.941 -6.395 12.348 1.00 0.00 H new ATOM 492 N PHE A 27 113.822 -7.755 10.740 1.00 0.00 N ATOM 493 CA PHE A 27 113.184 -8.388 9.671 1.00 0.00 C ATOM 494 C PHE A 27 114.001 -9.574 9.172 1.00 0.00 C ATOM 495 O PHE A 27 113.837 -10.696 9.658 1.00 0.00 O ATOM 496 CB PHE A 27 112.987 -7.347 8.587 1.00 0.00 C ATOM 497 CG PHE A 27 111.991 -6.289 8.951 1.00 0.00 C ATOM 498 CD1 PHE A 27 110.630 -6.535 8.918 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.428 -5.060 9.384 1.00 0.00 C ATOM 500 CE1 PHE A 27 109.734 -5.555 9.303 1.00 0.00 C ATOM 501 CE2 PHE A 27 111.548 -4.096 9.773 1.00 0.00 C ATOM 502 CZ PHE A 27 110.204 -4.333 9.734 1.00 0.00 C ATOM 0 H PHE A 27 114.803 -7.532 10.569 1.00 0.00 H new ATOM 0 HA PHE A 27 112.220 -8.792 9.981 1.00 0.00 H new ATOM 0 HB2 PHE A 27 113.945 -6.874 8.369 1.00 0.00 H new ATOM 0 HB3 PHE A 27 112.661 -7.843 7.673 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.266 -7.497 8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.488 -4.855 9.416 1.00 0.00 H new ATOM 0 HE1 PHE A 27 108.672 -5.746 9.266 1.00 0.00 H new ATOM 0 HE2 PHE A 27 111.915 -3.139 10.114 1.00 0.00 H new ATOM 0 HZ PHE A 27 109.510 -3.564 10.040 1.00 0.00 H new ATOM 512 N GLY A 28 114.944 -9.326 8.320 1.00 0.00 N ATOM 513 CA GLY A 28 115.628 -10.408 7.650 1.00 0.00 C ATOM 514 C GLY A 28 115.774 -10.153 6.160 1.00 0.00 C ATOM 515 O GLY A 28 115.333 -10.948 5.331 1.00 0.00 O ATOM 0 H GLY A 28 115.264 -8.391 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.615 -10.543 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.079 -11.336 7.807 1.00 0.00 H new ATOM 519 N PHE A 29 116.333 -9.022 5.831 1.00 0.00 N ATOM 520 CA PHE A 29 116.668 -8.640 4.480 1.00 0.00 C ATOM 521 C PHE A 29 117.677 -7.518 4.548 1.00 0.00 C ATOM 522 O PHE A 29 117.616 -6.694 5.451 1.00 0.00 O ATOM 523 CB PHE A 29 115.427 -8.292 3.614 1.00 0.00 C ATOM 524 CG PHE A 29 114.512 -7.236 4.130 1.00 0.00 C ATOM 525 CD1 PHE A 29 114.757 -5.925 3.864 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.385 -7.569 4.837 1.00 0.00 C ATOM 527 CE1 PHE A 29 113.894 -4.933 4.291 1.00 0.00 C ATOM 528 CE2 PHE A 29 112.522 -6.590 5.275 1.00 0.00 C ATOM 529 CZ PHE A 29 112.775 -5.270 5.002 1.00 0.00 C ATOM 0 H PHE A 29 116.579 -8.311 6.520 1.00 0.00 H new ATOM 0 HA PHE A 29 117.110 -9.493 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.778 -7.983 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 29 114.846 -9.204 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 29 115.643 -5.654 3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 29 113.173 -8.606 5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 29 114.102 -3.898 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 29 111.641 -6.863 5.837 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.097 -4.503 5.345 1.00 0.00 H new ATOM 539 N THR A 30 118.626 -7.486 3.665 1.00 0.00 N ATOM 540 CA THR A 30 119.591 -6.450 3.742 1.00 0.00 C ATOM 541 C THR A 30 119.320 -5.422 2.682 1.00 0.00 C ATOM 542 O THR A 30 119.044 -5.752 1.501 1.00 0.00 O ATOM 543 CB THR A 30 121.046 -6.984 3.719 1.00 0.00 C ATOM 544 OG1 THR A 30 121.316 -7.715 2.502 1.00 0.00 O ATOM 545 CG2 THR A 30 121.247 -7.906 4.910 1.00 0.00 C ATOM 0 H THR A 30 118.748 -8.151 2.901 1.00 0.00 H new ATOM 0 HA THR A 30 119.494 -5.962 4.712 1.00 0.00 H new ATOM 0 HB THR A 30 121.730 -6.136 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 30 121.986 -8.408 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.268 -8.289 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.071 -7.352 5.832 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.547 -8.739 4.848 1.00 0.00 H new ATOM 553 N VAL A 31 119.388 -4.192 3.073 1.00 0.00 N ATOM 554 CA VAL A 31 118.981 -3.138 2.216 1.00 0.00 C ATOM 555 C VAL A 31 120.177 -2.257 1.878 1.00 0.00 C ATOM 556 O VAL A 31 121.198 -2.321 2.555 1.00 0.00 O ATOM 557 CB VAL A 31 117.850 -2.278 2.906 1.00 0.00 C ATOM 558 CG1 VAL A 31 116.953 -3.095 3.810 1.00 0.00 C ATOM 559 CG2 VAL A 31 118.390 -1.088 3.620 1.00 0.00 C ATOM 0 H VAL A 31 119.725 -3.895 3.989 1.00 0.00 H new ATOM 0 HA VAL A 31 118.581 -3.564 1.296 1.00 0.00 H new ATOM 0 HB VAL A 31 117.229 -1.913 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 31 116.197 -2.447 4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 31 116.465 -3.877 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 31 117.550 -3.550 4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 31 117.569 -0.534 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 31 119.083 -1.413 4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 31 118.913 -0.445 2.912 1.00 0.00 H new ATOM 569 N VAL A 32 120.039 -1.467 0.844 1.00 0.00 N ATOM 570 CA VAL A 32 121.009 -0.473 0.469 1.00 0.00 C ATOM 571 C VAL A 32 120.298 0.795 0.093 1.00 0.00 C ATOM 572 O VAL A 32 119.350 0.770 -0.649 1.00 0.00 O ATOM 573 CB VAL A 32 121.969 -0.909 -0.680 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.986 -1.912 -0.188 1.00 0.00 C ATOM 575 CG2 VAL A 32 121.201 -1.462 -1.889 1.00 0.00 C ATOM 0 H VAL A 32 119.229 -1.499 0.225 1.00 0.00 H new ATOM 0 HA VAL A 32 121.647 -0.322 1.340 1.00 0.00 H new ATOM 0 HB VAL A 32 122.500 -0.016 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 32 123.642 -2.198 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.579 -1.467 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 32 122.472 -2.796 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 32 121.907 -1.754 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 32 120.618 -2.331 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 32 120.531 -0.694 -2.277 1.00 0.00 H new ATOM 585 N GLY A 33 120.749 1.879 0.610 1.00 0.00 N ATOM 586 CA GLY A 33 120.138 3.136 0.325 1.00 0.00 C ATOM 587 C GLY A 33 119.915 3.869 1.586 1.00 0.00 C ATOM 588 O GLY A 33 120.715 3.719 2.519 1.00 0.00 O ATOM 0 H GLY A 33 121.549 1.926 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 33 120.774 3.720 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.191 2.984 -0.192 1.00 0.00 H new ATOM 592 N GLY A 34 118.846 4.646 1.588 1.00 0.00 N ATOM 593 CA GLY A 34 118.363 5.430 2.720 1.00 0.00 C ATOM 594 C GLY A 34 119.430 6.142 3.421 1.00 0.00 C ATOM 595 O GLY A 34 119.700 5.924 4.592 1.00 0.00 O ATOM 0 H GLY A 34 118.260 4.755 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.625 6.150 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.854 4.769 3.421 1.00 0.00 H new ATOM 599 N ASP A 35 120.054 6.969 2.711 1.00 0.00 N ATOM 600 CA ASP A 35 121.117 7.699 3.250 1.00 0.00 C ATOM 601 C ASP A 35 120.683 9.095 3.473 1.00 0.00 C ATOM 602 O ASP A 35 121.198 9.782 4.359 1.00 0.00 O ATOM 603 CB ASP A 35 122.298 7.616 2.314 1.00 0.00 C ATOM 604 CG ASP A 35 123.602 8.051 2.984 1.00 0.00 C ATOM 605 OD1 ASP A 35 124.268 7.224 3.640 1.00 0.00 O ATOM 606 OD2 ASP A 35 123.982 9.233 2.889 1.00 0.00 O ATOM 0 H ASP A 35 119.847 7.166 1.732 1.00 0.00 H new ATOM 0 HA ASP A 35 121.422 7.287 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.401 6.593 1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 35 122.113 8.244 1.443 1.00 0.00 H new ATOM 611 N GLU A 36 119.683 9.511 2.728 1.00 0.00 N ATOM 612 CA GLU A 36 119.273 10.876 2.749 1.00 0.00 C ATOM 613 C GLU A 36 117.876 11.004 2.270 1.00 0.00 C ATOM 614 O GLU A 36 117.337 10.060 1.771 1.00 0.00 O ATOM 615 CB GLU A 36 120.291 11.706 1.948 1.00 0.00 C ATOM 616 CG GLU A 36 120.844 11.007 0.747 1.00 0.00 C ATOM 617 CD GLU A 36 121.803 11.901 0.007 1.00 0.00 C ATOM 618 OE1 GLU A 36 121.344 12.726 -0.780 1.00 0.00 O ATOM 619 OE2 GLU A 36 123.020 11.854 0.258 1.00 0.00 O ATOM 0 H GLU A 36 119.144 8.913 2.102 1.00 0.00 H new ATOM 0 HA GLU A 36 119.265 11.269 3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.815 12.633 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 36 121.116 11.982 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 36 121.353 10.094 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 36 120.030 10.711 0.085 1.00 0.00 H new ATOM 626 N PRO A 37 117.269 12.174 2.368 1.00 0.00 N ATOM 627 CA PRO A 37 115.887 12.401 1.924 1.00 0.00 C ATOM 628 C PRO A 37 115.817 12.286 0.418 1.00 0.00 C ATOM 629 O PRO A 37 114.753 12.134 -0.182 1.00 0.00 O ATOM 630 CB PRO A 37 115.664 13.854 2.359 1.00 0.00 C ATOM 631 CG PRO A 37 116.644 14.057 3.439 1.00 0.00 C ATOM 632 CD PRO A 37 117.840 13.398 2.902 1.00 0.00 C ATOM 0 HA PRO A 37 115.155 11.700 2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 37 115.829 14.547 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.644 14.014 2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 37 116.817 15.115 3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.317 13.606 4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.328 13.995 2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.584 13.203 3.674 1.00 0.00 H new ATOM 640 N ASP A 38 116.980 12.337 -0.147 1.00 0.00 N ATOM 641 CA ASP A 38 117.211 12.287 -1.537 1.00 0.00 C ATOM 642 C ASP A 38 117.461 10.841 -2.003 1.00 0.00 C ATOM 643 O ASP A 38 117.216 10.499 -3.164 1.00 0.00 O ATOM 644 CB ASP A 38 118.401 13.176 -1.821 1.00 0.00 C ATOM 645 CG ASP A 38 118.810 13.216 -3.268 1.00 0.00 C ATOM 646 OD1 ASP A 38 118.220 14.013 -4.024 1.00 0.00 O ATOM 647 OD2 ASP A 38 119.756 12.505 -3.677 1.00 0.00 O ATOM 0 H ASP A 38 117.842 12.420 0.393 1.00 0.00 H new ATOM 0 HA ASP A 38 116.338 12.638 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 38 118.170 14.189 -1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 38 119.247 12.833 -1.225 1.00 0.00 H new ATOM 652 N GLU A 39 117.908 9.988 -1.093 1.00 0.00 N ATOM 653 CA GLU A 39 118.162 8.605 -1.433 1.00 0.00 C ATOM 654 C GLU A 39 117.342 7.705 -0.513 1.00 0.00 C ATOM 655 O GLU A 39 117.587 7.667 0.724 1.00 0.00 O ATOM 656 CB GLU A 39 119.668 8.289 -1.312 1.00 0.00 C ATOM 657 CG GLU A 39 120.061 6.880 -1.756 1.00 0.00 C ATOM 658 CD GLU A 39 121.556 6.628 -1.673 1.00 0.00 C ATOM 659 OE1 GLU A 39 122.300 7.094 -2.565 1.00 0.00 O ATOM 660 OE2 GLU A 39 121.999 5.930 -0.759 1.00 0.00 O ATOM 0 H GLU A 39 118.100 10.231 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 39 117.866 8.423 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 39 120.226 9.012 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.972 8.427 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 39 119.540 6.151 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.728 6.722 -2.782 1.00 0.00 H new ATOM 667 N PHE A 40 116.438 6.940 -1.166 1.00 0.00 N ATOM 668 CA PHE A 40 115.446 6.005 -0.565 1.00 0.00 C ATOM 669 C PHE A 40 116.122 4.673 -0.324 1.00 0.00 C ATOM 670 O PHE A 40 117.234 4.451 -0.820 1.00 0.00 O ATOM 671 CB PHE A 40 114.246 5.745 -1.519 1.00 0.00 C ATOM 672 CG PHE A 40 113.559 6.944 -2.160 1.00 0.00 C ATOM 673 CD1 PHE A 40 113.100 8.021 -1.411 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.331 6.951 -3.536 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.434 9.082 -2.026 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.673 8.005 -4.154 1.00 0.00 C ATOM 677 CZ PHE A 40 112.221 9.072 -3.406 1.00 0.00 C ATOM 0 H PHE A 40 116.373 6.956 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 40 115.080 6.456 0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.594 5.094 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.492 5.189 -0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.260 8.037 -0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.674 6.119 -4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 40 112.082 9.913 -1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.515 7.990 -5.222 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.707 9.893 -3.884 1.00 0.00 H new ATOM 687 N LEU A 41 115.506 3.794 0.470 1.00 0.00 N ATOM 688 CA LEU A 41 116.169 2.539 0.745 1.00 0.00 C ATOM 689 C LEU A 41 115.744 1.536 -0.260 1.00 0.00 C ATOM 690 O LEU A 41 114.649 1.575 -0.705 1.00 0.00 O ATOM 691 CB LEU A 41 115.914 1.974 2.133 1.00 0.00 C ATOM 692 CG LEU A 41 116.351 2.777 3.335 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.416 3.946 3.630 1.00 0.00 C ATOM 694 CD2 LEU A 41 116.490 1.875 4.521 1.00 0.00 C ATOM 0 H LEU A 41 114.595 3.925 0.910 1.00 0.00 H new ATOM 0 HA LEU A 41 117.237 2.750 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.843 1.797 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.404 1.002 2.189 1.00 0.00 H new ATOM 0 HG LEU A 41 117.321 3.218 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.777 4.489 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.390 4.617 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.412 3.569 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.805 2.458 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 41 115.531 1.401 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 41 117.235 1.108 4.309 1.00 0.00 H new ATOM 706 N GLN A 42 116.611 0.689 -0.638 1.00 0.00 N ATOM 707 CA GLN A 42 116.325 -0.335 -1.585 1.00 0.00 C ATOM 708 C GLN A 42 116.776 -1.635 -0.939 1.00 0.00 C ATOM 709 O GLN A 42 117.424 -1.597 0.069 1.00 0.00 O ATOM 710 CB GLN A 42 117.170 -0.076 -2.804 1.00 0.00 C ATOM 711 CG GLN A 42 116.793 -0.851 -4.040 1.00 0.00 C ATOM 712 CD GLN A 42 117.973 -1.008 -4.974 1.00 0.00 C ATOM 713 OE1 GLN A 42 118.869 -0.155 -5.025 1.00 0.00 O ATOM 714 NE2 GLN A 42 118.019 -2.095 -5.685 1.00 0.00 N ATOM 0 H GLN A 42 117.571 0.678 -0.295 1.00 0.00 H new ATOM 0 HA GLN A 42 115.272 -0.371 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 42 117.122 0.988 -3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 42 118.208 -0.302 -2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.419 -1.834 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.982 -0.340 -4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.265 -2.779 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.809 -2.264 -6.307 1.00 0.00 H new ATOM 723 N ILE A 43 116.442 -2.752 -1.503 1.00 0.00 N ATOM 724 CA ILE A 43 116.835 -4.043 -0.941 1.00 0.00 C ATOM 725 C ILE A 43 117.816 -4.719 -1.874 1.00 0.00 C ATOM 726 O ILE A 43 117.564 -4.773 -3.077 1.00 0.00 O ATOM 727 CB ILE A 43 115.631 -5.002 -0.811 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.447 -4.296 -0.148 1.00 0.00 C ATOM 729 CG2 ILE A 43 116.032 -6.273 -0.028 1.00 0.00 C ATOM 730 CD1 ILE A 43 114.742 -3.762 1.208 1.00 0.00 C ATOM 0 H ILE A 43 115.893 -2.815 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 43 117.264 -3.845 0.042 1.00 0.00 H new ATOM 0 HB ILE A 43 115.322 -5.306 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 43 114.122 -3.475 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.613 -4.995 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 43 115.171 -6.937 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.837 -6.786 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.371 -5.994 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 43 113.852 -3.277 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 43 115.037 -4.580 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 43 115.554 -3.037 1.145 1.00 0.00 H new ATOM 742 N LYS A 44 118.884 -5.286 -1.332 1.00 0.00 N ATOM 743 CA LYS A 44 119.879 -5.941 -2.174 1.00 0.00 C ATOM 744 C LYS A 44 119.943 -7.419 -1.930 1.00 0.00 C ATOM 745 O LYS A 44 120.579 -8.129 -2.700 1.00 0.00 O ATOM 746 CB LYS A 44 121.274 -5.372 -2.002 1.00 0.00 C ATOM 747 CG LYS A 44 121.862 -5.597 -0.614 1.00 0.00 C ATOM 748 CD LYS A 44 123.348 -5.331 -0.600 1.00 0.00 C ATOM 749 CE LYS A 44 123.931 -5.486 0.791 1.00 0.00 C ATOM 750 NZ LYS A 44 123.837 -6.872 1.319 1.00 0.00 N ATOM 0 H LYS A 44 119.084 -5.307 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 44 119.544 -5.748 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 44 121.934 -5.822 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.248 -4.302 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 44 121.366 -4.944 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 44 121.671 -6.622 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 44 123.847 -6.018 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 44 123.541 -4.322 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 44 124.978 -5.182 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 44 123.413 -4.810 1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 124.537 -7.003 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 122.882 -7.035 1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 124.026 -7.549 0.552 1.00 0.00 H new ATOM 764 N SER A 45 119.348 -7.896 -0.858 1.00 0.00 N ATOM 765 CA SER A 45 119.326 -9.324 -0.585 1.00 0.00 C ATOM 766 C SER A 45 118.197 -9.621 0.380 1.00 0.00 C ATOM 767 O SER A 45 118.091 -8.963 1.405 1.00 0.00 O ATOM 768 CB SER A 45 120.656 -9.761 0.075 1.00 0.00 C ATOM 769 OG SER A 45 121.793 -9.360 -0.687 1.00 0.00 O ATOM 0 H SER A 45 118.874 -7.322 -0.161 1.00 0.00 H new ATOM 0 HA SER A 45 119.188 -9.863 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.721 -9.332 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.663 -10.845 0.192 1.00 0.00 H new ATOM 0 HG SER A 45 121.532 -9.237 -1.624 1.00 0.00 H new ATOM 775 N LEU A 46 117.341 -10.554 0.062 1.00 0.00 N ATOM 776 CA LEU A 46 116.383 -10.970 1.013 1.00 0.00 C ATOM 777 C LEU A 46 116.980 -12.118 1.782 1.00 0.00 C ATOM 778 O LEU A 46 117.380 -13.125 1.202 1.00 0.00 O ATOM 779 CB LEU A 46 115.007 -11.280 0.391 1.00 0.00 C ATOM 780 CG LEU A 46 114.892 -12.407 -0.631 1.00 0.00 C ATOM 781 CD1 LEU A 46 114.492 -13.707 0.009 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.888 -12.034 -1.630 1.00 0.00 C ATOM 0 H LEU A 46 117.298 -11.027 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 46 116.161 -10.155 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 46 114.321 -11.505 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 46 114.648 -10.367 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 46 115.869 -12.550 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 46 114.422 -14.482 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 46 115.239 -13.993 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.524 -13.590 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 46 113.795 -12.831 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 46 112.927 -11.879 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.194 -11.113 -2.127 1.00 0.00 H new ATOM 794 N VAL A 47 117.117 -11.943 3.050 1.00 0.00 N ATOM 795 CA VAL A 47 117.750 -12.915 3.878 1.00 0.00 C ATOM 796 C VAL A 47 116.806 -14.084 4.110 1.00 0.00 C ATOM 797 O VAL A 47 115.640 -13.901 4.489 1.00 0.00 O ATOM 798 CB VAL A 47 118.205 -12.295 5.240 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.806 -13.345 6.138 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.207 -11.157 5.029 1.00 0.00 C ATOM 0 H VAL A 47 116.791 -11.115 3.548 1.00 0.00 H new ATOM 0 HA VAL A 47 118.644 -13.272 3.367 1.00 0.00 H new ATOM 0 HB VAL A 47 117.316 -11.887 5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.114 -12.887 7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 47 118.066 -14.120 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.674 -13.788 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.502 -10.749 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.087 -11.539 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.746 -10.372 4.429 1.00 0.00 H new ATOM 810 N LEU A 48 117.292 -15.265 3.818 1.00 0.00 N ATOM 811 CA LEU A 48 116.561 -16.481 4.049 1.00 0.00 C ATOM 812 C LEU A 48 116.346 -16.621 5.519 1.00 0.00 C ATOM 813 O LEU A 48 117.285 -16.390 6.296 1.00 0.00 O ATOM 814 CB LEU A 48 117.324 -17.677 3.479 1.00 0.00 C ATOM 815 CG LEU A 48 117.566 -17.637 1.965 1.00 0.00 C ATOM 816 CD1 LEU A 48 118.431 -18.804 1.525 1.00 0.00 C ATOM 817 CD2 LEU A 48 116.240 -17.640 1.208 1.00 0.00 C ATOM 0 H LEU A 48 118.216 -15.408 3.409 1.00 0.00 H new ATOM 0 HA LEU A 48 115.596 -16.447 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 48 118.288 -17.746 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 48 116.773 -18.587 3.719 1.00 0.00 H new ATOM 0 HG LEU A 48 118.095 -16.713 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 48 118.589 -18.754 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 48 119.393 -18.756 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 48 117.933 -19.741 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 48 116.433 -17.611 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 48 115.684 -18.545 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.655 -16.766 1.495 1.00 0.00 H new ATOM 829 N ASP A 49 115.110 -16.980 5.882 1.00 0.00 N ATOM 830 CA ASP A 49 114.612 -17.054 7.274 1.00 0.00 C ATOM 831 C ASP A 49 114.066 -15.683 7.719 1.00 0.00 C ATOM 832 O ASP A 49 113.587 -15.497 8.832 1.00 0.00 O ATOM 833 CB ASP A 49 115.660 -17.653 8.241 1.00 0.00 C ATOM 834 CG ASP A 49 115.188 -17.845 9.668 1.00 0.00 C ATOM 835 OD1 ASP A 49 114.391 -18.778 9.929 1.00 0.00 O ATOM 836 OD2 ASP A 49 115.644 -17.087 10.568 1.00 0.00 O ATOM 0 H ASP A 49 114.399 -17.237 5.197 1.00 0.00 H new ATOM 0 HA ASP A 49 113.777 -17.753 7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.982 -18.618 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.536 -17.004 8.249 1.00 0.00 H new ATOM 841 N GLY A 50 114.098 -14.741 6.796 1.00 0.00 N ATOM 842 CA GLY A 50 113.532 -13.427 7.002 1.00 0.00 C ATOM 843 C GLY A 50 112.057 -13.431 6.728 1.00 0.00 C ATOM 844 O GLY A 50 111.628 -14.226 5.926 1.00 0.00 O ATOM 0 H GLY A 50 114.521 -14.870 5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.715 -13.104 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 50 114.025 -12.707 6.349 1.00 0.00 H new ATOM 848 N PRO A 51 111.247 -12.470 7.227 1.00 0.00 N ATOM 849 CA PRO A 51 109.811 -12.592 7.130 1.00 0.00 C ATOM 850 C PRO A 51 109.360 -12.368 5.688 1.00 0.00 C ATOM 851 O PRO A 51 108.360 -12.888 5.247 1.00 0.00 O ATOM 852 CB PRO A 51 109.286 -11.564 8.150 1.00 0.00 C ATOM 853 CG PRO A 51 110.375 -10.558 8.334 1.00 0.00 C ATOM 854 CD PRO A 51 111.625 -11.114 7.685 1.00 0.00 C ATOM 0 HA PRO A 51 109.417 -13.580 7.366 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.375 -11.088 7.788 1.00 0.00 H new ATOM 0 HB3 PRO A 51 109.039 -12.047 9.096 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.098 -9.607 7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.546 -10.368 9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.947 -10.491 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.453 -11.153 8.392 1.00 0.00 H new ATOM 862 N ALA A 52 110.177 -11.625 4.962 1.00 0.00 N ATOM 863 CA ALA A 52 109.992 -11.362 3.554 1.00 0.00 C ATOM 864 C ALA A 52 110.184 -12.650 2.768 1.00 0.00 C ATOM 865 O ALA A 52 109.397 -12.976 1.873 1.00 0.00 O ATOM 866 CB ALA A 52 111.022 -10.346 3.119 1.00 0.00 C ATOM 0 H ALA A 52 111.008 -11.178 5.350 1.00 0.00 H new ATOM 0 HA ALA A 52 108.988 -10.980 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 52 110.898 -10.134 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 52 110.890 -9.427 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.022 -10.743 3.296 1.00 0.00 H new ATOM 872 N ALA A 53 111.214 -13.386 3.155 1.00 0.00 N ATOM 873 CA ALA A 53 111.587 -14.643 2.536 1.00 0.00 C ATOM 874 C ALA A 53 110.513 -15.656 2.762 1.00 0.00 C ATOM 875 O ALA A 53 110.062 -16.345 1.862 1.00 0.00 O ATOM 876 CB ALA A 53 112.867 -15.149 3.192 1.00 0.00 C ATOM 0 H ALA A 53 111.826 -13.118 3.926 1.00 0.00 H new ATOM 0 HA ALA A 53 111.732 -14.491 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 53 113.160 -16.095 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.662 -14.417 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.695 -15.298 4.258 1.00 0.00 H new ATOM 882 N LEU A 54 110.117 -15.702 3.973 1.00 0.00 N ATOM 883 CA LEU A 54 109.208 -16.633 4.488 1.00 0.00 C ATOM 884 C LEU A 54 107.797 -16.440 4.052 1.00 0.00 C ATOM 885 O LEU A 54 107.082 -17.411 3.779 1.00 0.00 O ATOM 886 CB LEU A 54 109.335 -16.542 5.902 1.00 0.00 C ATOM 887 CG LEU A 54 110.730 -16.902 6.343 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.751 -16.699 7.708 1.00 0.00 C ATOM 889 CD2 LEU A 54 111.103 -18.342 6.004 1.00 0.00 C ATOM 0 H LEU A 54 110.446 -15.041 4.677 1.00 0.00 H new ATOM 0 HA LEU A 54 109.449 -17.624 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 54 109.097 -15.529 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.616 -17.208 6.379 1.00 0.00 H new ATOM 0 HG LEU A 54 111.464 -16.288 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.740 -16.942 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.523 -15.655 7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.007 -17.339 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 54 112.118 -18.545 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.411 -19.023 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.047 -18.488 4.925 1.00 0.00 H new ATOM 901 N ASP A 55 107.373 -15.198 3.983 1.00 0.00 N ATOM 902 CA ASP A 55 106.013 -14.901 3.558 1.00 0.00 C ATOM 903 C ASP A 55 105.934 -14.917 2.050 1.00 0.00 C ATOM 904 O ASP A 55 104.870 -15.068 1.442 1.00 0.00 O ATOM 905 CB ASP A 55 105.534 -13.553 4.109 1.00 0.00 C ATOM 906 CG ASP A 55 104.038 -13.340 3.945 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.248 -14.173 4.452 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.620 -12.324 3.363 1.00 0.00 O ATOM 0 H ASP A 55 107.939 -14.381 4.212 1.00 0.00 H new ATOM 0 HA ASP A 55 105.354 -15.670 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.791 -13.487 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 55 106.067 -12.749 3.601 1.00 0.00 H new ATOM 913 N GLY A 56 107.140 -14.825 1.464 1.00 0.00 N ATOM 914 CA GLY A 56 107.342 -14.872 0.023 1.00 0.00 C ATOM 915 C GLY A 56 106.533 -13.856 -0.716 1.00 0.00 C ATOM 916 O GLY A 56 105.903 -14.161 -1.728 1.00 0.00 O ATOM 0 H GLY A 56 108.006 -14.715 1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.398 -14.715 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 56 107.086 -15.867 -0.342 1.00 0.00 H new ATOM 920 N LYS A 57 106.553 -12.653 -0.227 1.00 0.00 N ATOM 921 CA LYS A 57 105.720 -11.607 -0.773 1.00 0.00 C ATOM 922 C LYS A 57 106.561 -10.365 -1.137 1.00 0.00 C ATOM 923 O LYS A 57 106.037 -9.334 -1.583 1.00 0.00 O ATOM 924 CB LYS A 57 104.632 -11.287 0.274 1.00 0.00 C ATOM 925 CG LYS A 57 103.594 -10.196 -0.066 1.00 0.00 C ATOM 926 CD LYS A 57 102.456 -10.650 -1.005 1.00 0.00 C ATOM 927 CE LYS A 57 102.916 -11.061 -2.395 1.00 0.00 C ATOM 928 NZ LYS A 57 101.778 -11.341 -3.282 1.00 0.00 N ATOM 0 H LYS A 57 107.140 -12.363 0.555 1.00 0.00 H new ATOM 0 HA LYS A 57 105.249 -11.932 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.090 -12.209 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.133 -10.995 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.155 -9.831 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.111 -9.354 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 57 101.935 -11.489 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 57 101.734 -9.839 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 57 103.527 -10.268 -2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 57 103.548 -11.946 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 102.130 -11.618 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 101.209 -12.115 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 101.189 -10.488 -3.371 1.00 0.00 H new ATOM 942 N MET A 58 107.850 -10.505 -1.022 1.00 0.00 N ATOM 943 CA MET A 58 108.799 -9.425 -1.239 1.00 0.00 C ATOM 944 C MET A 58 110.082 -10.034 -1.803 1.00 0.00 C ATOM 945 O MET A 58 110.361 -11.209 -1.518 1.00 0.00 O ATOM 946 CB MET A 58 109.000 -8.705 0.111 1.00 0.00 C ATOM 947 CG MET A 58 110.144 -7.741 0.199 1.00 0.00 C ATOM 948 SD MET A 58 111.702 -8.562 0.511 1.00 0.00 S ATOM 949 CE MET A 58 112.724 -7.159 0.667 1.00 0.00 C ATOM 0 H MET A 58 108.291 -11.389 -0.769 1.00 0.00 H new ATOM 0 HA MET A 58 108.451 -8.684 -1.958 1.00 0.00 H new ATOM 0 HB2 MET A 58 108.083 -8.166 0.348 1.00 0.00 H new ATOM 0 HB3 MET A 58 109.134 -9.462 0.883 1.00 0.00 H new ATOM 0 HG2 MET A 58 110.213 -7.177 -0.731 1.00 0.00 H new ATOM 0 HG3 MET A 58 109.949 -7.022 0.994 1.00 0.00 H new ATOM 0 HE1 MET A 58 113.482 -7.344 1.428 1.00 0.00 H new ATOM 0 HE2 MET A 58 113.210 -6.955 -0.287 1.00 0.00 H new ATOM 0 HE3 MET A 58 112.120 -6.299 0.958 1.00 0.00 H new ATOM 959 N GLU A 59 110.836 -9.292 -2.609 1.00 0.00 N ATOM 960 CA GLU A 59 112.003 -9.841 -3.263 1.00 0.00 C ATOM 961 C GLU A 59 113.195 -8.865 -3.186 1.00 0.00 C ATOM 962 O GLU A 59 113.065 -7.691 -2.817 1.00 0.00 O ATOM 963 CB GLU A 59 111.671 -10.134 -4.742 1.00 0.00 C ATOM 964 CG GLU A 59 111.566 -8.911 -5.615 1.00 0.00 C ATOM 965 CD GLU A 59 111.160 -9.226 -7.032 1.00 0.00 C ATOM 966 OE1 GLU A 59 110.023 -9.714 -7.243 1.00 0.00 O ATOM 967 OE2 GLU A 59 111.928 -8.936 -7.970 1.00 0.00 O ATOM 0 H GLU A 59 110.654 -8.311 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 59 112.282 -10.763 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 59 112.439 -10.791 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.728 -10.679 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 59 110.840 -8.223 -5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 59 112.527 -8.396 -5.625 1.00 0.00 H new ATOM 974 N THR A 60 114.346 -9.380 -3.509 1.00 0.00 N ATOM 975 CA THR A 60 115.537 -8.632 -3.594 1.00 0.00 C ATOM 976 C THR A 60 115.422 -7.692 -4.791 1.00 0.00 C ATOM 977 O THR A 60 115.262 -8.144 -5.923 1.00 0.00 O ATOM 978 CB THR A 60 116.660 -9.610 -3.838 1.00 0.00 C ATOM 979 OG1 THR A 60 116.685 -10.593 -2.796 1.00 0.00 O ATOM 980 CG2 THR A 60 117.949 -8.926 -3.887 1.00 0.00 C ATOM 0 H THR A 60 114.470 -10.369 -3.726 1.00 0.00 H new ATOM 0 HA THR A 60 115.718 -8.055 -2.687 1.00 0.00 H new ATOM 0 HB THR A 60 116.485 -10.094 -4.799 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.415 -11.226 -2.961 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.741 -9.654 -4.064 1.00 0.00 H new ATOM 0 HG22 THR A 60 117.942 -8.194 -4.695 1.00 0.00 H new ATOM 0 HG23 THR A 60 118.128 -8.419 -2.939 1.00 0.00 H new ATOM 988 N GLY A 61 115.499 -6.423 -4.548 1.00 0.00 N ATOM 989 CA GLY A 61 115.318 -5.478 -5.603 1.00 0.00 C ATOM 990 C GLY A 61 114.299 -4.439 -5.244 1.00 0.00 C ATOM 991 O GLY A 61 114.353 -3.329 -5.766 1.00 0.00 O ATOM 0 H GLY A 61 115.685 -6.017 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 61 116.269 -4.994 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 61 115.005 -5.998 -6.508 1.00 0.00 H new ATOM 995 N ASP A 62 113.371 -4.794 -4.340 1.00 0.00 N ATOM 996 CA ASP A 62 112.328 -3.855 -3.873 1.00 0.00 C ATOM 997 C ASP A 62 112.926 -2.588 -3.332 1.00 0.00 C ATOM 998 O ASP A 62 114.040 -2.580 -2.820 1.00 0.00 O ATOM 999 CB ASP A 62 111.462 -4.444 -2.756 1.00 0.00 C ATOM 1000 CG ASP A 62 110.355 -5.355 -3.209 1.00 0.00 C ATOM 1001 OD1 ASP A 62 109.309 -4.853 -3.668 1.00 0.00 O ATOM 1002 OD2 ASP A 62 110.479 -6.576 -3.075 1.00 0.00 O ATOM 0 H ASP A 62 113.319 -5.721 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 62 111.717 -3.655 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 62 112.107 -4.996 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 62 111.024 -3.623 -2.188 1.00 0.00 H new ATOM 1007 N VAL A 63 112.209 -1.527 -3.443 1.00 0.00 N ATOM 1008 CA VAL A 63 112.639 -0.292 -2.875 1.00 0.00 C ATOM 1009 C VAL A 63 111.702 0.156 -1.768 1.00 0.00 C ATOM 1010 O VAL A 63 110.493 0.316 -1.972 1.00 0.00 O ATOM 1011 CB VAL A 63 112.997 0.816 -3.940 1.00 0.00 C ATOM 1012 CG1 VAL A 63 112.054 0.789 -5.105 1.00 0.00 C ATOM 1013 CG2 VAL A 63 113.039 2.218 -3.332 1.00 0.00 C ATOM 0 H VAL A 63 111.312 -1.486 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 63 113.601 -0.474 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 63 113.999 0.578 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.333 1.566 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 63 112.105 -0.185 -5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 63 111.037 0.966 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.290 2.943 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 63 112.064 2.461 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.793 2.251 -2.546 1.00 0.00 H new ATOM 1023 N ILE A 64 112.281 0.302 -0.592 1.00 0.00 N ATOM 1024 CA ILE A 64 111.588 0.641 0.612 1.00 0.00 C ATOM 1025 C ILE A 64 111.275 2.126 0.645 1.00 0.00 C ATOM 1026 O ILE A 64 112.219 3.022 0.632 1.00 0.00 O ATOM 1027 CB ILE A 64 112.387 0.257 1.888 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.628 -1.247 1.950 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.699 0.749 3.170 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.373 -2.095 2.033 1.00 0.00 C ATOM 0 H ILE A 64 113.285 0.181 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 64 110.663 0.064 0.611 1.00 0.00 H new ATOM 0 HB ILE A 64 113.352 0.760 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 64 113.192 -1.546 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 64 113.253 -1.464 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 64 112.293 0.458 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.608 1.835 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.707 0.304 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.648 -3.149 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.815 -1.832 2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.753 -1.915 1.155 1.00 0.00 H new ATOM 1042 N VAL A 65 109.978 2.373 0.706 1.00 0.00 N ATOM 1043 CA VAL A 65 109.392 3.673 0.698 1.00 0.00 C ATOM 1044 C VAL A 65 109.009 4.086 2.120 1.00 0.00 C ATOM 1045 O VAL A 65 109.410 5.130 2.582 1.00 0.00 O ATOM 1046 CB VAL A 65 108.122 3.660 -0.195 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.500 5.028 -0.297 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.439 3.122 -1.579 1.00 0.00 C ATOM 0 H VAL A 65 109.285 1.627 0.765 1.00 0.00 H new ATOM 0 HA VAL A 65 110.114 4.387 0.302 1.00 0.00 H new ATOM 0 HB VAL A 65 107.399 2.998 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.614 4.979 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.217 5.374 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 65 108.218 5.723 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.534 3.123 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 65 109.193 3.753 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.819 2.104 -1.495 1.00 0.00 H new ATOM 1058 N SER A 66 108.258 3.253 2.812 1.00 0.00 N ATOM 1059 CA SER A 66 107.799 3.592 4.150 1.00 0.00 C ATOM 1060 C SER A 66 107.293 2.362 4.897 1.00 0.00 C ATOM 1061 O SER A 66 107.242 1.266 4.340 1.00 0.00 O ATOM 1062 CB SER A 66 106.738 4.714 4.092 1.00 0.00 C ATOM 1063 OG SER A 66 105.722 4.431 3.144 1.00 0.00 O ATOM 0 H SER A 66 107.952 2.340 2.475 1.00 0.00 H new ATOM 0 HA SER A 66 108.650 3.971 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 66 106.290 4.842 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.221 5.657 3.837 1.00 0.00 H new ATOM 0 HG SER A 66 104.867 4.311 3.607 1.00 0.00 H new ATOM 1069 N VAL A 67 106.967 2.532 6.155 1.00 0.00 N ATOM 1070 CA VAL A 67 106.492 1.456 6.970 1.00 0.00 C ATOM 1071 C VAL A 67 105.436 2.006 7.916 1.00 0.00 C ATOM 1072 O VAL A 67 105.413 3.215 8.158 1.00 0.00 O ATOM 1073 CB VAL A 67 107.679 0.810 7.767 1.00 0.00 C ATOM 1074 CG1 VAL A 67 108.258 1.740 8.809 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.284 -0.497 8.391 1.00 0.00 C ATOM 0 H VAL A 67 107.026 3.428 6.639 1.00 0.00 H new ATOM 0 HA VAL A 67 106.054 0.676 6.347 1.00 0.00 H new ATOM 0 HB VAL A 67 108.462 0.618 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 67 109.075 1.240 9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 67 108.634 2.641 8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 67 107.483 2.010 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 67 108.133 -0.912 8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 67 106.456 -0.335 9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 67 106.976 -1.194 7.612 1.00 0.00 H new ATOM 1085 N ASN A 68 104.517 1.139 8.322 1.00 0.00 N ATOM 1086 CA ASN A 68 103.487 1.398 9.347 1.00 0.00 C ATOM 1087 C ASN A 68 103.912 2.459 10.353 1.00 0.00 C ATOM 1088 O ASN A 68 104.804 2.234 11.178 1.00 0.00 O ATOM 1089 CB ASN A 68 103.168 0.061 10.017 1.00 0.00 C ATOM 1090 CG ASN A 68 102.431 0.094 11.332 1.00 0.00 C ATOM 1091 OD1 ASN A 68 103.158 0.003 12.409 1.00 0.00 O flip ATOM 1092 ND2 ASN A 68 101.213 0.134 11.367 1.00 0.00 N flip ATOM 0 H ASN A 68 104.458 0.196 7.937 1.00 0.00 H new ATOM 0 HA ASN A 68 102.593 1.809 8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.579 -0.533 9.318 1.00 0.00 H new ATOM 0 HB3 ASN A 68 104.108 -0.469 10.172 1.00 0.00 H new ATOM 0 HD21 ASN A 68 100.680 0.205 10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.727 0.096 12.263 1.00 0.00 H new ATOM 1099 N ASP A 69 103.294 3.639 10.190 1.00 0.00 N ATOM 1100 CA ASP A 69 103.529 4.867 10.982 1.00 0.00 C ATOM 1101 C ASP A 69 104.690 5.714 10.485 1.00 0.00 C ATOM 1102 O ASP A 69 104.525 6.901 10.213 1.00 0.00 O ATOM 1103 CB ASP A 69 103.680 4.610 12.492 1.00 0.00 C ATOM 1104 CG ASP A 69 104.149 5.836 13.253 1.00 0.00 C ATOM 1105 OD1 ASP A 69 103.304 6.686 13.631 1.00 0.00 O ATOM 1106 OD2 ASP A 69 105.366 5.981 13.479 1.00 0.00 O ATOM 0 H ASP A 69 102.583 3.774 9.471 1.00 0.00 H new ATOM 0 HA ASP A 69 102.614 5.439 10.827 1.00 0.00 H new ATOM 0 HB2 ASP A 69 102.723 4.280 12.897 1.00 0.00 H new ATOM 0 HB3 ASP A 69 104.389 3.797 12.648 1.00 0.00 H new ATOM 1111 N THR A 70 105.824 5.121 10.323 1.00 0.00 N ATOM 1112 CA THR A 70 107.011 5.890 10.103 1.00 0.00 C ATOM 1113 C THR A 70 107.342 6.084 8.619 1.00 0.00 C ATOM 1114 O THR A 70 107.426 5.128 7.823 1.00 0.00 O ATOM 1115 CB THR A 70 108.186 5.289 10.892 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.785 5.150 12.286 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.419 6.185 10.817 1.00 0.00 C ATOM 0 H THR A 70 105.959 4.110 10.338 1.00 0.00 H new ATOM 0 HA THR A 70 106.822 6.895 10.481 1.00 0.00 H new ATOM 0 HB THR A 70 108.440 4.321 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 70 106.943 5.629 12.434 1.00 0.00 H new ATOM 0 HG21 THR A 70 110.232 5.733 11.385 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.723 6.300 9.776 1.00 0.00 H new ATOM 0 HG23 THR A 70 109.184 7.163 11.236 1.00 0.00 H new ATOM 1125 N CYS A 71 107.524 7.326 8.265 1.00 0.00 N ATOM 1126 CA CYS A 71 107.845 7.722 6.938 1.00 0.00 C ATOM 1127 C CYS A 71 109.332 7.528 6.722 1.00 0.00 C ATOM 1128 O CYS A 71 110.135 8.409 6.971 1.00 0.00 O ATOM 1129 CB CYS A 71 107.439 9.182 6.734 1.00 0.00 C ATOM 1130 SG CYS A 71 107.610 9.791 5.041 1.00 0.00 S ATOM 0 H CYS A 71 107.449 8.107 8.917 1.00 0.00 H new ATOM 0 HA CYS A 71 107.303 7.116 6.211 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.401 9.302 7.044 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.043 9.807 7.392 1.00 0.00 H new ATOM 0 HG CYS A 71 108.798 10.292 4.878 1.00 0.00 H new ATOM 1136 N VAL A 72 109.682 6.345 6.276 1.00 0.00 N ATOM 1137 CA VAL A 72 111.071 5.961 6.026 1.00 0.00 C ATOM 1138 C VAL A 72 111.496 6.438 4.615 1.00 0.00 C ATOM 1139 O VAL A 72 112.568 6.103 4.097 1.00 0.00 O ATOM 1140 CB VAL A 72 111.222 4.407 6.189 1.00 0.00 C ATOM 1141 CG1 VAL A 72 112.662 3.941 6.090 1.00 0.00 C ATOM 1142 CG2 VAL A 72 110.645 3.972 7.517 1.00 0.00 C ATOM 0 H VAL A 72 109.010 5.606 6.071 1.00 0.00 H new ATOM 0 HA VAL A 72 111.730 6.439 6.751 1.00 0.00 H new ATOM 0 HB VAL A 72 110.675 3.948 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.703 2.858 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 72 113.066 4.213 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 72 113.253 4.416 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 72 110.753 2.893 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 72 111.177 4.472 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 72 109.589 4.237 7.559 1.00 0.00 H new ATOM 1152 N LEU A 73 110.637 7.242 4.021 1.00 0.00 N ATOM 1153 CA LEU A 73 110.856 7.805 2.720 1.00 0.00 C ATOM 1154 C LEU A 73 112.057 8.710 2.806 1.00 0.00 C ATOM 1155 O LEU A 73 111.987 9.804 3.395 1.00 0.00 O ATOM 1156 CB LEU A 73 109.616 8.618 2.412 1.00 0.00 C ATOM 1157 CG LEU A 73 109.395 9.132 1.029 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.378 7.991 0.039 1.00 0.00 C ATOM 1159 CD2 LEU A 73 108.070 9.862 1.037 1.00 0.00 C ATOM 0 H LEU A 73 109.752 7.523 4.444 1.00 0.00 H new ATOM 0 HA LEU A 73 111.032 7.052 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.752 8.007 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.615 9.477 3.083 1.00 0.00 H new ATOM 0 HG LEU A 73 110.199 9.804 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.216 8.383 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.332 7.465 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.574 7.301 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.866 10.257 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.276 9.172 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 73 108.112 10.684 1.752 1.00 0.00 H new ATOM 1171 N GLY A 74 113.131 8.283 2.182 1.00 0.00 N ATOM 1172 CA GLY A 74 114.372 8.997 2.261 1.00 0.00 C ATOM 1173 C GLY A 74 114.822 9.197 3.697 1.00 0.00 C ATOM 1174 O GLY A 74 115.211 10.300 4.086 1.00 0.00 O ATOM 0 H GLY A 74 113.163 7.438 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 74 115.140 8.451 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 74 114.264 9.967 1.776 1.00 0.00 H new ATOM 1178 N HIS A 75 114.708 8.163 4.491 1.00 0.00 N ATOM 1179 CA HIS A 75 115.115 8.221 5.866 1.00 0.00 C ATOM 1180 C HIS A 75 116.615 8.172 5.887 1.00 0.00 C ATOM 1181 O HIS A 75 117.229 7.605 4.993 1.00 0.00 O ATOM 1182 CB HIS A 75 114.557 7.023 6.627 1.00 0.00 C ATOM 1183 CG HIS A 75 113.901 7.351 7.932 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.815 8.185 8.075 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.183 6.902 9.160 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.479 8.211 9.365 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.283 7.444 10.073 1.00 0.00 N ATOM 0 H HIS A 75 114.331 7.261 4.201 1.00 0.00 H new ATOM 0 HA HIS A 75 114.744 9.131 6.338 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.833 6.514 5.992 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.369 6.320 6.812 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.349 8.694 7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 75 114.986 6.223 9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.659 8.783 9.774 1.00 0.00 H new ATOM 1195 N THR A 76 117.191 8.771 6.866 1.00 0.00 N ATOM 1196 CA THR A 76 118.608 8.798 6.995 1.00 0.00 C ATOM 1197 C THR A 76 119.077 7.444 7.532 1.00 0.00 C ATOM 1198 O THR A 76 118.369 6.878 8.367 1.00 0.00 O ATOM 1199 CB THR A 76 118.964 9.919 7.996 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.437 11.172 7.520 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.455 10.049 8.232 1.00 0.00 C ATOM 0 H THR A 76 116.691 9.261 7.608 1.00 0.00 H new ATOM 0 HA THR A 76 119.092 8.986 6.037 1.00 0.00 H new ATOM 0 HB THR A 76 118.514 9.652 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 76 118.661 11.884 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 76 120.642 10.853 8.944 1.00 0.00 H new ATOM 0 HG22 THR A 76 120.843 9.112 8.632 1.00 0.00 H new ATOM 0 HG23 THR A 76 120.954 10.276 7.290 1.00 0.00 H new ATOM 1209 N HIS A 77 120.224 6.934 7.080 1.00 0.00 N ATOM 1210 CA HIS A 77 120.737 5.609 7.493 1.00 0.00 C ATOM 1211 C HIS A 77 120.688 5.420 8.989 1.00 0.00 C ATOM 1212 O HIS A 77 120.094 4.458 9.472 1.00 0.00 O ATOM 1213 CB HIS A 77 122.169 5.404 6.958 1.00 0.00 C ATOM 1214 CG HIS A 77 122.852 4.119 7.383 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.384 2.851 7.102 1.00 0.00 N ATOM 1216 CD2 HIS A 77 124.008 3.938 8.072 1.00 0.00 C ATOM 1217 CE1 HIS A 77 123.243 1.969 7.607 1.00 0.00 C ATOM 1218 NE2 HIS A 77 124.252 2.572 8.207 1.00 0.00 N ATOM 0 H HIS A 77 120.829 7.420 6.418 1.00 0.00 H new ATOM 0 HA HIS A 77 120.084 4.852 7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 77 122.138 5.434 5.869 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.782 6.244 7.283 1.00 0.00 H new ATOM 0 HD1 HIS A 77 121.527 2.629 6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 77 124.638 4.727 8.455 1.00 0.00 H new ATOM 0 HE1 HIS A 77 123.129 0.897 7.535 1.00 0.00 H new ATOM 1226 N ALA A 78 121.208 6.388 9.701 1.00 0.00 N ATOM 1227 CA ALA A 78 121.271 6.350 11.155 1.00 0.00 C ATOM 1228 C ALA A 78 119.883 6.268 11.755 1.00 0.00 C ATOM 1229 O ALA A 78 119.665 5.594 12.763 1.00 0.00 O ATOM 1230 CB ALA A 78 121.988 7.576 11.688 1.00 0.00 C ATOM 0 H ALA A 78 121.605 7.234 9.293 1.00 0.00 H new ATOM 0 HA ALA A 78 121.828 5.458 11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.026 7.531 12.776 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.003 7.606 11.291 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.452 8.474 11.381 1.00 0.00 H new ATOM 1236 N GLN A 79 118.940 6.915 11.116 1.00 0.00 N ATOM 1237 CA GLN A 79 117.598 6.952 11.612 1.00 0.00 C ATOM 1238 C GLN A 79 116.884 5.642 11.338 1.00 0.00 C ATOM 1239 O GLN A 79 116.324 5.020 12.253 1.00 0.00 O ATOM 1240 CB GLN A 79 116.825 8.115 11.012 1.00 0.00 C ATOM 1241 CG GLN A 79 117.375 9.489 11.376 1.00 0.00 C ATOM 1242 CD GLN A 79 117.546 9.688 12.868 1.00 0.00 C ATOM 1243 OE1 GLN A 79 116.821 9.116 13.683 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.482 10.521 13.234 1.00 0.00 N ATOM 0 H GLN A 79 119.085 7.425 10.245 1.00 0.00 H new ATOM 0 HA GLN A 79 117.647 7.097 12.691 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.823 8.013 9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.787 8.054 11.340 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.338 9.629 10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.704 10.256 10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.063 10.976 12.530 1.00 0.00 H new ATOM 0 HE22 GLN A 79 118.632 10.717 14.224 1.00 0.00 H new ATOM 1253 N VAL A 80 116.951 5.203 10.092 1.00 0.00 N ATOM 1254 CA VAL A 80 116.293 3.989 9.681 1.00 0.00 C ATOM 1255 C VAL A 80 116.867 2.768 10.410 1.00 0.00 C ATOM 1256 O VAL A 80 116.110 1.952 10.946 1.00 0.00 O ATOM 1257 CB VAL A 80 116.286 3.791 8.126 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.695 3.776 7.546 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.539 2.511 7.774 1.00 0.00 C ATOM 0 H VAL A 80 117.461 5.679 9.347 1.00 0.00 H new ATOM 0 HA VAL A 80 115.248 4.090 9.974 1.00 0.00 H new ATOM 0 HB VAL A 80 115.771 4.641 7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.643 3.637 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.189 4.722 7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.263 2.958 7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.536 2.377 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 80 116.033 1.661 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.512 2.578 8.134 1.00 0.00 H new ATOM 1269 N VAL A 81 118.198 2.692 10.507 1.00 0.00 N ATOM 1270 CA VAL A 81 118.842 1.553 11.167 1.00 0.00 C ATOM 1271 C VAL A 81 118.490 1.519 12.636 1.00 0.00 C ATOM 1272 O VAL A 81 118.280 0.470 13.193 1.00 0.00 O ATOM 1273 CB VAL A 81 120.400 1.469 10.948 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.155 2.607 11.619 1.00 0.00 C ATOM 1275 CG2 VAL A 81 120.954 0.122 11.406 1.00 0.00 C ATOM 0 H VAL A 81 118.842 3.394 10.143 1.00 0.00 H new ATOM 0 HA VAL A 81 118.441 0.663 10.681 1.00 0.00 H new ATOM 0 HB VAL A 81 120.558 1.568 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.223 2.495 11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.814 3.559 11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 81 120.969 2.583 12.693 1.00 0.00 H new ATOM 0 HG21 VAL A 81 122.031 0.097 11.241 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.746 -0.015 12.467 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.481 -0.678 10.837 1.00 0.00 H new ATOM 1285 N LYS A 82 118.376 2.678 13.234 1.00 0.00 N ATOM 1286 CA LYS A 82 118.007 2.782 14.614 1.00 0.00 C ATOM 1287 C LYS A 82 116.618 2.174 14.880 1.00 0.00 C ATOM 1288 O LYS A 82 116.461 1.380 15.797 1.00 0.00 O ATOM 1289 CB LYS A 82 118.147 4.251 15.048 1.00 0.00 C ATOM 1290 CG LYS A 82 117.587 4.659 16.417 1.00 0.00 C ATOM 1291 CD LYS A 82 116.116 5.090 16.345 1.00 0.00 C ATOM 1292 CE LYS A 82 115.915 6.337 15.461 1.00 0.00 C ATOM 1293 NZ LYS A 82 116.646 7.535 15.961 1.00 0.00 N ATOM 0 H LYS A 82 118.537 3.574 12.773 1.00 0.00 H new ATOM 0 HA LYS A 82 118.681 2.189 15.233 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.207 4.503 15.034 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.662 4.869 14.292 1.00 0.00 H new ATOM 0 HG2 LYS A 82 117.684 3.823 17.109 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.183 5.478 16.820 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.518 4.268 15.952 1.00 0.00 H new ATOM 0 HD3 LYS A 82 115.751 5.297 17.351 1.00 0.00 H new ATOM 0 HE2 LYS A 82 116.248 6.113 14.447 1.00 0.00 H new ATOM 0 HE3 LYS A 82 114.851 6.566 15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 116.598 8.293 15.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 116.211 7.863 16.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 117.641 7.287 16.135 1.00 0.00 H new ATOM 1307 N ILE A 83 115.639 2.486 14.043 1.00 0.00 N ATOM 1308 CA ILE A 83 114.274 2.015 14.272 1.00 0.00 C ATOM 1309 C ILE A 83 114.194 0.531 13.965 1.00 0.00 C ATOM 1310 O ILE A 83 113.776 -0.300 14.793 1.00 0.00 O ATOM 1311 CB ILE A 83 113.244 2.803 13.416 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.324 4.297 13.764 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.822 2.272 13.650 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.406 5.177 12.952 1.00 0.00 C ATOM 0 H ILE A 83 115.758 3.057 13.206 1.00 0.00 H new ATOM 0 HA ILE A 83 114.023 2.186 15.319 1.00 0.00 H new ATOM 0 HB ILE A 83 113.483 2.667 12.361 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.088 4.424 14.821 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.350 4.636 13.623 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.117 2.838 13.041 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.777 1.219 13.373 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.561 2.382 14.703 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.527 6.215 13.263 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.654 5.084 11.895 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.372 4.869 13.111 1.00 0.00 H new ATOM 1326 N PHE A 84 114.694 0.214 12.807 1.00 0.00 N ATOM 1327 CA PHE A 84 114.674 -1.113 12.270 1.00 0.00 C ATOM 1328 C PHE A 84 115.516 -2.107 13.078 1.00 0.00 C ATOM 1329 O PHE A 84 115.265 -3.297 13.055 1.00 0.00 O ATOM 1330 CB PHE A 84 115.069 -1.070 10.801 1.00 0.00 C ATOM 1331 CG PHE A 84 113.958 -0.617 9.870 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.406 0.652 9.973 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.462 -1.470 8.902 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.390 1.055 9.131 1.00 0.00 C ATOM 1335 CE2 PHE A 84 112.444 -1.072 8.055 1.00 0.00 C ATOM 1336 CZ PHE A 84 111.908 0.192 8.171 1.00 0.00 C ATOM 0 H PHE A 84 115.141 0.894 12.192 1.00 0.00 H new ATOM 0 HA PHE A 84 113.655 -1.493 12.348 1.00 0.00 H new ATOM 0 HB2 PHE A 84 115.921 -0.400 10.685 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.401 -2.063 10.496 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.777 1.334 10.723 1.00 0.00 H new ATOM 0 HD2 PHE A 84 113.876 -2.463 8.806 1.00 0.00 H new ATOM 0 HE1 PHE A 84 111.973 2.047 9.224 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.069 -1.751 7.303 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.112 0.505 7.511 1.00 0.00 H new ATOM 1346 N GLN A 85 116.541 -1.636 13.724 1.00 0.00 N ATOM 1347 CA GLN A 85 117.295 -2.485 14.613 1.00 0.00 C ATOM 1348 C GLN A 85 116.758 -2.520 16.050 1.00 0.00 C ATOM 1349 O GLN A 85 117.108 -3.427 16.825 1.00 0.00 O ATOM 1350 CB GLN A 85 118.789 -2.204 14.545 1.00 0.00 C ATOM 1351 CG GLN A 85 119.428 -2.670 13.250 1.00 0.00 C ATOM 1352 CD GLN A 85 119.448 -4.188 13.092 1.00 0.00 C ATOM 1353 OE1 GLN A 85 118.593 -4.922 13.607 1.00 0.00 O ATOM 1354 NE2 GLN A 85 120.402 -4.669 12.375 1.00 0.00 N ATOM 0 H GLN A 85 116.877 -0.675 13.657 1.00 0.00 H new ATOM 0 HA GLN A 85 117.148 -3.499 14.241 1.00 0.00 H new ATOM 0 HB2 GLN A 85 118.956 -1.133 14.660 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.283 -2.695 15.383 1.00 0.00 H new ATOM 0 HG2 GLN A 85 118.889 -2.232 12.410 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.450 -2.294 13.203 1.00 0.00 H new ATOM 0 HE21 GLN A 85 121.094 -4.044 11.961 1.00 0.00 H new ATOM 0 HE22 GLN A 85 120.466 -5.675 12.220 1.00 0.00 H new ATOM 1363 N SER A 86 115.928 -1.548 16.432 1.00 0.00 N ATOM 1364 CA SER A 86 115.410 -1.520 17.796 1.00 0.00 C ATOM 1365 C SER A 86 114.033 -2.169 17.935 1.00 0.00 C ATOM 1366 O SER A 86 113.490 -2.250 19.048 1.00 0.00 O ATOM 1367 CB SER A 86 115.417 -0.107 18.384 1.00 0.00 C ATOM 1368 OG SER A 86 114.665 0.798 17.590 1.00 0.00 O ATOM 0 H SER A 86 115.608 -0.788 15.831 1.00 0.00 H new ATOM 0 HA SER A 86 116.099 -2.130 18.381 1.00 0.00 H new ATOM 0 HB2 SER A 86 115.007 -0.131 19.394 1.00 0.00 H new ATOM 0 HB3 SER A 86 116.444 0.248 18.465 1.00 0.00 H new ATOM 0 HG SER A 86 115.213 1.107 16.839 1.00 0.00 H new ATOM 1374 N ILE A 87 113.442 -2.595 16.828 1.00 0.00 N ATOM 1375 CA ILE A 87 112.203 -3.330 16.883 1.00 0.00 C ATOM 1376 C ILE A 87 112.375 -4.658 17.651 1.00 0.00 C ATOM 1377 O ILE A 87 113.482 -5.185 17.765 1.00 0.00 O ATOM 1378 CB ILE A 87 111.597 -3.617 15.492 1.00 0.00 C ATOM 1379 CG1 ILE A 87 112.584 -3.419 14.370 1.00 0.00 C ATOM 1380 CG2 ILE A 87 110.286 -2.888 15.248 1.00 0.00 C ATOM 1381 CD1 ILE A 87 112.003 -3.718 13.029 1.00 0.00 C ATOM 0 H ILE A 87 113.805 -2.441 15.887 1.00 0.00 H new ATOM 0 HA ILE A 87 111.506 -2.683 17.415 1.00 0.00 H new ATOM 0 HB ILE A 87 111.351 -4.679 15.497 1.00 0.00 H new ATOM 0 HG12 ILE A 87 112.942 -2.389 14.384 1.00 0.00 H new ATOM 0 HG13 ILE A 87 113.450 -4.060 14.537 1.00 0.00 H new ATOM 0 HG21 ILE A 87 109.913 -3.133 14.253 1.00 0.00 H new ATOM 0 HG22 ILE A 87 109.554 -3.195 15.995 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.449 -1.813 15.320 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.760 -3.558 12.261 1.00 0.00 H new ATOM 0 HD12 ILE A 87 111.670 -4.756 13.000 1.00 0.00 H new ATOM 0 HD13 ILE A 87 111.154 -3.059 12.845 1.00 0.00 H new ATOM 1393 N PRO A 88 111.292 -5.162 18.219 1.00 0.00 N ATOM 1394 CA PRO A 88 111.264 -6.373 19.020 1.00 0.00 C ATOM 1395 C PRO A 88 110.692 -7.580 18.253 1.00 0.00 C ATOM 1396 O PRO A 88 109.894 -7.443 17.313 1.00 0.00 O ATOM 1397 CB PRO A 88 110.287 -5.957 20.136 1.00 0.00 C ATOM 1398 CG PRO A 88 109.464 -4.818 19.553 1.00 0.00 C ATOM 1399 CD PRO A 88 109.977 -4.592 18.153 1.00 0.00 C ATOM 0 HA PRO A 88 112.253 -6.694 19.346 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.650 -6.791 20.430 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.824 -5.636 21.028 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.404 -5.072 19.541 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.569 -3.916 20.155 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.355 -5.086 17.406 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.004 -3.533 17.895 1.00 0.00 H new ATOM 1407 N ILE A 89 111.111 -8.752 18.661 1.00 0.00 N ATOM 1408 CA ILE A 89 110.646 -9.990 18.075 1.00 0.00 C ATOM 1409 C ILE A 89 109.156 -10.177 18.361 1.00 0.00 C ATOM 1410 O ILE A 89 108.719 -10.071 19.512 1.00 0.00 O ATOM 1411 CB ILE A 89 111.400 -11.203 18.675 1.00 0.00 C ATOM 1412 CG1 ILE A 89 112.898 -11.006 18.542 1.00 0.00 C ATOM 1413 CG2 ILE A 89 110.977 -12.485 17.971 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.743 -12.033 19.224 1.00 0.00 C ATOM 0 H ILE A 89 111.788 -8.877 19.413 1.00 0.00 H new ATOM 0 HA ILE A 89 110.828 -9.936 17.002 1.00 0.00 H new ATOM 0 HB ILE A 89 111.148 -11.283 19.733 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.153 -10.996 17.482 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.155 -10.025 18.941 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.514 -13.331 18.401 1.00 0.00 H new ATOM 0 HG22 ILE A 89 109.905 -12.633 18.098 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.209 -12.410 16.909 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.796 -11.800 19.068 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.526 -12.032 20.292 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.524 -13.017 18.810 1.00 0.00 H new ATOM 1426 N GLY A 90 108.403 -10.442 17.330 1.00 0.00 N ATOM 1427 CA GLY A 90 107.007 -10.701 17.474 1.00 0.00 C ATOM 1428 C GLY A 90 106.156 -9.539 17.043 1.00 0.00 C ATOM 1429 O GLY A 90 104.938 -9.544 17.265 1.00 0.00 O ATOM 0 H GLY A 90 108.744 -10.483 16.370 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.742 -11.579 16.885 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.791 -10.938 18.516 1.00 0.00 H new ATOM 1433 N ALA A 91 106.745 -8.544 16.401 1.00 0.00 N ATOM 1434 CA ALA A 91 105.949 -7.369 16.071 1.00 0.00 C ATOM 1435 C ALA A 91 105.491 -7.396 14.612 1.00 0.00 C ATOM 1436 O ALA A 91 105.843 -8.286 13.876 1.00 0.00 O ATOM 1437 CB ALA A 91 106.694 -6.094 16.429 1.00 0.00 C ATOM 0 H ALA A 91 107.722 -8.519 16.109 1.00 0.00 H new ATOM 0 HA ALA A 91 105.042 -7.388 16.676 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.080 -5.230 16.174 1.00 0.00 H new ATOM 0 HB2 ALA A 91 106.907 -6.085 17.498 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.630 -6.051 15.872 1.00 0.00 H new ATOM 1443 N SER A 92 104.721 -6.425 14.214 1.00 0.00 N ATOM 1444 CA SER A 92 104.150 -6.357 12.899 1.00 0.00 C ATOM 1445 C SER A 92 104.189 -4.932 12.386 1.00 0.00 C ATOM 1446 O SER A 92 104.229 -3.986 13.179 1.00 0.00 O ATOM 1447 CB SER A 92 102.707 -6.840 12.987 1.00 0.00 C ATOM 1448 OG SER A 92 102.032 -6.666 11.775 1.00 0.00 O ATOM 0 H SER A 92 104.466 -5.638 14.810 1.00 0.00 H new ATOM 0 HA SER A 92 104.718 -6.982 12.210 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.692 -7.894 13.265 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.188 -6.295 13.775 1.00 0.00 H new ATOM 0 HG SER A 92 101.076 -6.835 11.906 1.00 0.00 H new ATOM 1454 N VAL A 93 104.276 -4.807 11.074 1.00 0.00 N ATOM 1455 CA VAL A 93 104.217 -3.546 10.353 1.00 0.00 C ATOM 1456 C VAL A 93 103.764 -3.778 8.970 1.00 0.00 C ATOM 1457 O VAL A 93 103.817 -4.877 8.474 1.00 0.00 O ATOM 1458 CB VAL A 93 105.550 -2.794 10.229 1.00 0.00 C ATOM 1459 CG1 VAL A 93 105.928 -2.051 11.460 1.00 0.00 C ATOM 1460 CG2 VAL A 93 106.652 -3.717 9.796 1.00 0.00 C ATOM 0 H VAL A 93 104.394 -5.611 10.457 1.00 0.00 H new ATOM 0 HA VAL A 93 103.534 -2.938 10.947 1.00 0.00 H new ATOM 0 HB VAL A 93 105.400 -2.040 9.456 1.00 0.00 H new ATOM 0 HG11 VAL A 93 106.880 -1.544 11.301 1.00 0.00 H new ATOM 0 HG12 VAL A 93 105.158 -1.315 11.691 1.00 0.00 H new ATOM 0 HG13 VAL A 93 106.024 -2.749 12.292 1.00 0.00 H new ATOM 0 HG21 VAL A 93 107.584 -3.158 9.716 1.00 0.00 H new ATOM 0 HG22 VAL A 93 106.768 -4.514 10.530 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.404 -4.150 8.827 1.00 0.00 H new ATOM 1470 N ASP A 94 103.393 -2.717 8.360 1.00 0.00 N ATOM 1471 CA ASP A 94 102.963 -2.672 7.020 1.00 0.00 C ATOM 1472 C ASP A 94 104.055 -2.025 6.262 1.00 0.00 C ATOM 1473 O ASP A 94 104.286 -0.829 6.404 1.00 0.00 O ATOM 1474 CB ASP A 94 101.720 -1.815 6.915 1.00 0.00 C ATOM 1475 CG ASP A 94 100.501 -2.433 7.551 1.00 0.00 C ATOM 1476 OD1 ASP A 94 99.830 -3.278 6.918 1.00 0.00 O ATOM 1477 OD2 ASP A 94 100.190 -2.082 8.697 1.00 0.00 O ATOM 0 H ASP A 94 103.382 -1.803 8.812 1.00 0.00 H new ATOM 0 HA ASP A 94 102.735 -3.668 6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 94 101.914 -0.851 7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.511 -1.621 5.863 1.00 0.00 H new ATOM 1482 N LEU A 95 104.734 -2.782 5.508 1.00 0.00 N ATOM 1483 CA LEU A 95 105.858 -2.314 4.779 1.00 0.00 C ATOM 1484 C LEU A 95 105.395 -1.859 3.406 1.00 0.00 C ATOM 1485 O LEU A 95 104.771 -2.620 2.658 1.00 0.00 O ATOM 1486 CB LEU A 95 106.857 -3.448 4.655 1.00 0.00 C ATOM 1487 CG LEU A 95 108.303 -3.054 4.455 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.820 -2.346 5.702 1.00 0.00 C ATOM 1489 CD2 LEU A 95 109.121 -4.288 4.168 1.00 0.00 C ATOM 0 H LEU A 95 104.529 -3.771 5.368 1.00 0.00 H new ATOM 0 HA LEU A 95 106.331 -1.474 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.791 -4.060 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.556 -4.078 3.818 1.00 0.00 H new ATOM 0 HG LEU A 95 108.386 -2.371 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.862 -2.064 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 95 108.224 -1.452 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 95 108.743 -3.016 6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 95 110.164 -4.007 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 95 109.044 -4.979 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 95 108.747 -4.771 3.265 1.00 0.00 H new ATOM 1501 N GLU A 96 105.660 -0.624 3.107 1.00 0.00 N ATOM 1502 CA GLU A 96 105.274 -0.023 1.862 1.00 0.00 C ATOM 1503 C GLU A 96 106.490 0.060 0.986 1.00 0.00 C ATOM 1504 O GLU A 96 107.441 0.821 1.271 1.00 0.00 O ATOM 1505 CB GLU A 96 104.705 1.356 2.124 1.00 0.00 C ATOM 1506 CG GLU A 96 103.516 1.333 3.053 1.00 0.00 C ATOM 1507 CD GLU A 96 103.062 2.699 3.444 1.00 0.00 C ATOM 1508 OE1 GLU A 96 103.636 3.265 4.396 1.00 0.00 O ATOM 1509 OE2 GLU A 96 102.115 3.230 2.840 1.00 0.00 O ATOM 0 H GLU A 96 106.160 0.008 3.732 1.00 0.00 H new ATOM 0 HA GLU A 96 104.508 -0.618 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 96 105.482 1.989 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 96 104.411 1.808 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 96 102.693 0.806 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.772 0.770 3.950 1.00 0.00 H new ATOM 1516 N LEU A 97 106.491 -0.719 -0.039 1.00 0.00 N ATOM 1517 CA LEU A 97 107.626 -0.814 -0.897 1.00 0.00 C ATOM 1518 C LEU A 97 107.181 -0.935 -2.328 1.00 0.00 C ATOM 1519 O LEU A 97 106.033 -1.323 -2.605 1.00 0.00 O ATOM 1520 CB LEU A 97 108.553 -1.993 -0.477 1.00 0.00 C ATOM 1521 CG LEU A 97 108.098 -3.469 -0.699 1.00 0.00 C ATOM 1522 CD1 LEU A 97 109.144 -4.385 -0.137 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.764 -3.787 -0.047 1.00 0.00 C ATOM 0 H LEU A 97 105.705 -1.310 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 97 108.214 0.099 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.498 -1.864 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.762 -1.876 0.586 1.00 0.00 H new ATOM 0 HG LEU A 97 107.973 -3.612 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.838 -5.421 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 97 110.092 -4.210 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 97 109.263 -4.191 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.504 -4.828 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.836 -3.623 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.992 -3.139 -0.462 1.00 0.00 H new ATOM 1535 N CYS A 98 108.042 -0.568 -3.216 1.00 0.00 N ATOM 1536 CA CYS A 98 107.749 -0.644 -4.603 1.00 0.00 C ATOM 1537 C CYS A 98 108.596 -1.707 -5.263 1.00 0.00 C ATOM 1538 O CYS A 98 109.837 -1.715 -5.143 1.00 0.00 O ATOM 1539 CB CYS A 98 107.922 0.714 -5.274 1.00 0.00 C ATOM 1540 SG CYS A 98 106.851 2.007 -4.586 1.00 0.00 S ATOM 0 H CYS A 98 108.970 -0.206 -2.998 1.00 0.00 H new ATOM 0 HA CYS A 98 106.704 -0.930 -4.722 1.00 0.00 H new ATOM 0 HB2 CYS A 98 108.962 1.027 -5.179 1.00 0.00 H new ATOM 0 HB3 CYS A 98 107.716 0.612 -6.339 1.00 0.00 H new ATOM 0 HG CYS A 98 106.406 2.759 -5.548 1.00 0.00 H new ATOM 1546 N ARG A 99 107.925 -2.589 -5.937 1.00 0.00 N ATOM 1547 CA ARG A 99 108.525 -3.688 -6.621 1.00 0.00 C ATOM 1548 C ARG A 99 108.673 -3.278 -8.072 1.00 0.00 C ATOM 1549 O ARG A 99 107.821 -2.567 -8.586 1.00 0.00 O ATOM 1550 CB ARG A 99 107.586 -4.890 -6.538 1.00 0.00 C ATOM 1551 CG ARG A 99 108.167 -6.169 -7.053 1.00 0.00 C ATOM 1552 CD ARG A 99 109.116 -6.744 -6.046 1.00 0.00 C ATOM 1553 NE ARG A 99 108.559 -7.934 -5.400 1.00 0.00 N ATOM 1554 CZ ARG A 99 107.717 -7.949 -4.389 1.00 0.00 C ATOM 1555 NH1 ARG A 99 107.617 -6.907 -3.580 1.00 0.00 N ATOM 1556 NH2 ARG A 99 107.065 -9.066 -4.113 1.00 0.00 N ATOM 0 H ARG A 99 106.909 -2.561 -6.028 1.00 0.00 H new ATOM 0 HA ARG A 99 109.489 -3.949 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 99 107.290 -5.033 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 99 106.679 -4.666 -7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.369 -6.882 -7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.687 -5.989 -7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 99 110.055 -7.001 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 99 109.345 -5.993 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 99 108.852 -8.839 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.196 -6.082 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 99 106.961 -6.929 -2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 99 107.218 -9.900 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.409 -9.094 -3.333 1.00 0.00 H new ATOM 1570 N GLY A 100 109.705 -3.721 -8.731 1.00 0.00 N ATOM 1571 CA GLY A 100 109.900 -3.328 -10.103 1.00 0.00 C ATOM 1572 C GLY A 100 111.341 -3.064 -10.379 1.00 0.00 C ATOM 1573 O GLY A 100 111.778 -3.053 -11.527 1.00 0.00 O ATOM 0 H GLY A 100 110.416 -4.345 -8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 100 109.536 -4.113 -10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.315 -2.434 -10.316 1.00 0.00 H new ATOM 1577 N TYR A 101 112.082 -2.834 -9.334 1.00 0.00 N ATOM 1578 CA TYR A 101 113.496 -2.640 -9.449 1.00 0.00 C ATOM 1579 C TYR A 101 114.230 -3.962 -9.358 1.00 0.00 C ATOM 1580 O TYR A 101 113.953 -4.779 -8.473 1.00 0.00 O ATOM 1581 CB TYR A 101 114.010 -1.630 -8.421 1.00 0.00 C ATOM 1582 CG TYR A 101 113.864 -0.203 -8.877 1.00 0.00 C ATOM 1583 CD1 TYR A 101 112.690 0.507 -8.681 1.00 0.00 C ATOM 1584 CD2 TYR A 101 114.914 0.430 -9.527 1.00 0.00 C ATOM 1585 CE1 TYR A 101 112.572 1.811 -9.118 1.00 0.00 C ATOM 1586 CE2 TYR A 101 114.803 1.726 -9.969 1.00 0.00 C ATOM 1587 CZ TYR A 101 113.635 2.412 -9.762 1.00 0.00 C ATOM 1588 OH TYR A 101 113.519 3.698 -10.207 1.00 0.00 O ATOM 0 H TYR A 101 111.723 -2.776 -8.381 1.00 0.00 H new ATOM 0 HA TYR A 101 113.698 -2.218 -10.433 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.468 -1.764 -7.485 1.00 0.00 H new ATOM 0 HB3 TYR A 101 115.060 -1.834 -8.213 1.00 0.00 H new ATOM 0 HD1 TYR A 101 111.858 0.034 -8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 101 115.837 -0.107 -9.689 1.00 0.00 H new ATOM 0 HE1 TYR A 101 111.654 2.357 -8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 101 115.630 2.201 -10.476 1.00 0.00 H new ATOM 0 HH TYR A 101 114.356 3.972 -10.637 1.00 0.00 H new ATOM 2091 N GLU B 158 124.142 -0.016 3.448 1.00 0.00 N ATOM 2092 CA GLU B 158 123.674 -1.309 3.835 1.00 0.00 C ATOM 2093 C GLU B 158 123.084 -1.257 5.225 1.00 0.00 C ATOM 2094 O GLU B 158 123.785 -1.024 6.217 1.00 0.00 O ATOM 2095 CB GLU B 158 124.788 -2.358 3.782 1.00 0.00 C ATOM 2096 CG GLU B 158 124.331 -3.759 4.182 1.00 0.00 C ATOM 2097 CD GLU B 158 125.455 -4.755 4.221 1.00 0.00 C ATOM 2098 OE1 GLU B 158 125.748 -5.389 3.188 1.00 0.00 O ATOM 2099 OE2 GLU B 158 126.061 -4.941 5.298 1.00 0.00 O ATOM 0 HA GLU B 158 122.903 -1.604 3.123 1.00 0.00 H new ATOM 0 HB2 GLU B 158 125.195 -2.393 2.771 1.00 0.00 H new ATOM 0 HB3 GLU B 158 125.599 -2.048 4.441 1.00 0.00 H new ATOM 0 HG2 GLU B 158 123.858 -3.715 5.163 1.00 0.00 H new ATOM 0 HG3 GLU B 158 123.573 -4.103 3.478 1.00 0.00 H new ATOM 2106 N THR B 159 121.816 -1.418 5.283 1.00 0.00 N ATOM 2107 CA THR B 159 121.130 -1.508 6.517 1.00 0.00 C ATOM 2108 C THR B 159 120.555 -2.907 6.578 1.00 0.00 C ATOM 2109 O THR B 159 119.566 -3.206 5.913 1.00 0.00 O ATOM 2110 CB THR B 159 120.004 -0.454 6.604 1.00 0.00 C ATOM 2111 OG1 THR B 159 120.524 0.834 6.196 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.470 -0.358 8.037 1.00 0.00 C ATOM 0 H THR B 159 121.215 -1.492 4.462 1.00 0.00 H new ATOM 0 HA THR B 159 121.802 -1.316 7.353 1.00 0.00 H new ATOM 0 HB THR B 159 119.188 -0.752 5.945 1.00 0.00 H new ATOM 0 HG1 THR B 159 119.812 1.506 6.248 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.677 0.389 8.081 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.073 -1.326 8.343 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.279 -0.069 8.708 1.00 0.00 H new ATOM 2120 N GLN B 160 121.242 -3.788 7.258 1.00 0.00 N ATOM 2121 CA GLN B 160 120.770 -5.135 7.388 1.00 0.00 C ATOM 2122 C GLN B 160 119.665 -5.160 8.407 1.00 0.00 C ATOM 2123 O GLN B 160 119.850 -4.727 9.542 1.00 0.00 O ATOM 2124 CB GLN B 160 121.914 -6.147 7.725 1.00 0.00 C ATOM 2125 CG GLN B 160 122.527 -6.124 9.130 1.00 0.00 C ATOM 2126 CD GLN B 160 123.128 -4.793 9.555 1.00 0.00 C ATOM 2127 OE1 GLN B 160 123.593 -3.996 8.736 1.00 0.00 O ATOM 2128 NE2 GLN B 160 123.142 -4.557 10.834 1.00 0.00 N ATOM 0 H GLN B 160 122.127 -3.595 7.727 1.00 0.00 H new ATOM 0 HA GLN B 160 120.379 -5.466 6.426 1.00 0.00 H new ATOM 0 HB2 GLN B 160 121.529 -7.151 7.549 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.720 -5.984 7.010 1.00 0.00 H new ATOM 0 HG2 GLN B 160 121.757 -6.402 9.849 1.00 0.00 H new ATOM 0 HG3 GLN B 160 123.303 -6.888 9.183 1.00 0.00 H new ATOM 0 HE21 GLN B 160 122.748 -5.239 11.483 1.00 0.00 H new ATOM 0 HE22 GLN B 160 123.546 -3.690 11.188 1.00 0.00 H new ATOM 2137 N VAL B 161 118.513 -5.581 8.003 1.00 0.00 N ATOM 2138 CA VAL B 161 117.416 -5.611 8.897 1.00 0.00 C ATOM 2139 C VAL B 161 116.958 -7.020 9.036 1.00 0.00 C ATOM 2140 O VAL B 161 116.384 -7.380 10.064 1.00 0.00 O ATOM 2141 CB VAL B 161 116.233 -4.680 8.501 1.00 0.00 C ATOM 2142 CG1 VAL B 161 116.667 -3.259 8.350 1.00 0.00 C ATOM 2143 CG2 VAL B 161 115.574 -5.108 7.236 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.255 -7.814 8.144 1.00 0.00 O ATOM 0 H VAL B 161 118.312 -5.908 7.058 1.00 0.00 H new ATOM 0 HA VAL B 161 117.768 -5.217 9.850 1.00 0.00 H new ATOM 0 HB VAL B 161 115.518 -4.758 9.320 1.00 0.00 H new ATOM 0 HG11 VAL B 161 115.810 -2.644 8.073 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.080 -2.902 9.294 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.428 -3.192 7.573 1.00 0.00 H new ATOM 0 HG21 VAL B 161 114.756 -4.427 7.003 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.301 -5.093 6.424 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.182 -6.118 7.354 1.00 0.00 H new