USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=24 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 HD1:sc= 0.889 K(o=2,f=-4.6!) USER MOD Set 1.2: B 159 THR OG1 : rot -69:sc= 1.08 USER MOD Set 2.1: A 30 THR OG1 : rot -82:sc= -1.98! USER MOD Set 2.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 45 SER OG : rot 0:sc= 0.22 USER MOD Set 3.1: A 19 LYS NZ :NH3+ 162:sc= -0.0301 (180deg=-0.271) USER MOD Set 3.2: A 92 SER OG : rot 180:sc= -2.09! USER MOD Single : A 5 THR OG1 : rot -51:sc= 0.472 USER MOD Single : A 7 ASN : amide:sc= 0.82 K(o=0.82,f=-1.7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= 1.26 (180deg=0.248) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= -0.0682 (180deg=-0.0682) USER MOD Single : A 17 HIS : no HE2:sc= -3.3! C(o=-3.3!,f=-4.6!) USER MOD Single : A 18 THR OG1 : rot -110:sc= -1.76! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= -1.31 (180deg=-1.31) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0848 K(o=-0.085,f=-4.4!) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00749) USER MOD Single : A 58 MET CE :methyl 145:sc= -0.501 (180deg=-2.46) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.25 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.688 X(o=-0.69,f=-0.66) USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.0426 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.0705 USER MOD Single : A 75 HIS : no HE2:sc= -2.18 K(o=-2.2,f=-5.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.045 K(o=-0.045,f=-0.57) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -0.0234 (180deg=-0.292) USER MOD Single : A 85 GLN : amide:sc= -2.29! C(o=-2.3!,f=-4.2!) USER MOD Single : A 86 SER OG : rot 92:sc= 0.168 USER MOD Single : A 98 CYS SG : rot -23:sc= -0.113 USER MOD Single : A 101 TYR OH : rot 30:sc= -0.673 USER MOD Single : B 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 5 111.155 12.685 -5.576 1.00 0.00 N ATOM 121 CA THR A 5 110.249 13.631 -5.030 1.00 0.00 C ATOM 122 C THR A 5 109.297 12.927 -4.049 1.00 0.00 C ATOM 123 O THR A 5 108.098 13.171 -4.061 1.00 0.00 O ATOM 124 CB THR A 5 109.485 14.401 -6.145 1.00 0.00 C ATOM 125 OG1 THR A 5 108.609 15.412 -5.583 1.00 0.00 O ATOM 126 CG2 THR A 5 108.702 13.451 -7.044 1.00 0.00 C ATOM 0 HA THR A 5 110.812 14.382 -4.477 1.00 0.00 H new ATOM 0 HB THR A 5 110.232 14.904 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.050 15.010 -4.886 1.00 0.00 H new ATOM 0 HG21 THR A 5 108.181 14.023 -7.811 1.00 0.00 H new ATOM 0 HG22 THR A 5 109.389 12.750 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.976 12.900 -6.446 1.00 0.00 H new ATOM 134 N ARG A 6 109.875 11.991 -3.226 1.00 0.00 N ATOM 135 CA ARG A 6 109.193 11.238 -2.101 1.00 0.00 C ATOM 136 C ARG A 6 107.950 10.471 -2.543 1.00 0.00 C ATOM 137 O ARG A 6 107.136 10.020 -1.742 1.00 0.00 O ATOM 138 CB ARG A 6 108.863 12.192 -0.975 1.00 0.00 C ATOM 139 CG ARG A 6 107.669 13.082 -1.199 1.00 0.00 C ATOM 140 CD ARG A 6 107.651 14.137 -0.187 1.00 0.00 C ATOM 141 NE ARG A 6 107.397 13.610 1.164 1.00 0.00 N ATOM 142 CZ ARG A 6 108.193 13.783 2.233 1.00 0.00 C ATOM 143 NH1 ARG A 6 109.310 14.504 2.141 1.00 0.00 N ATOM 144 NH2 ARG A 6 107.862 13.239 3.394 1.00 0.00 N ATOM 0 H ARG A 6 110.856 11.728 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 6 109.898 10.482 -1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 6 108.694 11.610 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 6 109.733 12.822 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 6 107.711 13.520 -2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 6 106.751 12.497 -1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 6 108.606 14.663 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 6 106.883 14.867 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 6 106.544 13.067 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 6 109.569 14.932 1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 6 109.906 14.628 2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 6 107.006 12.691 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 6 108.464 13.368 4.208 1.00 0.00 H new ATOM 158 N ASN A 7 107.814 10.347 -3.780 1.00 0.00 N ATOM 159 CA ASN A 7 106.679 9.672 -4.370 1.00 0.00 C ATOM 160 C ASN A 7 106.902 8.199 -4.668 1.00 0.00 C ATOM 161 O ASN A 7 107.675 7.820 -5.554 1.00 0.00 O ATOM 162 CB ASN A 7 106.212 10.385 -5.637 1.00 0.00 C ATOM 163 CG ASN A 7 105.118 11.389 -5.375 1.00 0.00 C ATOM 164 OD1 ASN A 7 103.937 11.061 -5.461 1.00 0.00 O ATOM 165 ND2 ASN A 7 105.482 12.587 -5.026 1.00 0.00 N ATOM 0 H ASN A 7 108.483 10.707 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 7 105.904 9.716 -3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 7 107.061 10.891 -6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 7 105.856 9.645 -6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 7 104.777 13.292 -4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 7 106.473 12.822 -4.966 1.00 0.00 H new ATOM 172 N PRO A 8 106.154 7.307 -3.977 1.00 0.00 N ATOM 173 CA PRO A 8 106.148 5.885 -4.327 1.00 0.00 C ATOM 174 C PRO A 8 105.622 5.755 -5.699 1.00 0.00 C ATOM 175 O PRO A 8 105.916 4.830 -6.441 1.00 0.00 O ATOM 176 CB PRO A 8 105.057 5.306 -3.493 1.00 0.00 C ATOM 177 CG PRO A 8 104.616 6.312 -2.502 1.00 0.00 C ATOM 178 CD PRO A 8 105.299 7.603 -2.801 1.00 0.00 C ATOM 0 HA PRO A 8 107.134 5.436 -4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 8 104.220 5.008 -4.124 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.409 4.408 -2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.534 6.437 -2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.858 5.980 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.579 8.391 -3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.894 7.943 -1.953 1.00 0.00 H new ATOM 186 N SER A 9 104.790 6.695 -5.970 1.00 0.00 N ATOM 187 CA SER A 9 104.091 6.797 -7.125 1.00 0.00 C ATOM 188 C SER A 9 105.031 7.155 -8.316 1.00 0.00 C ATOM 189 O SER A 9 104.721 6.831 -9.462 1.00 0.00 O ATOM 190 CB SER A 9 102.992 7.827 -6.910 1.00 0.00 C ATOM 191 OG SER A 9 102.078 7.877 -7.987 1.00 0.00 O ATOM 0 H SER A 9 104.591 7.453 -5.317 1.00 0.00 H new ATOM 0 HA SER A 9 103.635 5.843 -7.389 1.00 0.00 H new ATOM 0 HB2 SER A 9 102.454 7.593 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 9 103.442 8.810 -6.774 1.00 0.00 H new ATOM 0 HG SER A 9 101.391 8.551 -7.802 1.00 0.00 H new ATOM 197 N GLU A 10 106.190 7.818 -8.037 1.00 0.00 N ATOM 198 CA GLU A 10 107.132 8.143 -9.107 1.00 0.00 C ATOM 199 C GLU A 10 107.896 6.903 -9.431 1.00 0.00 C ATOM 200 O GLU A 10 108.322 6.689 -10.577 1.00 0.00 O ATOM 201 CB GLU A 10 108.103 9.286 -8.741 1.00 0.00 C ATOM 202 CG GLU A 10 109.197 8.950 -7.739 1.00 0.00 C ATOM 203 CD GLU A 10 109.932 10.159 -7.278 1.00 0.00 C ATOM 204 OE1 GLU A 10 110.424 10.932 -8.147 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.990 10.393 -6.038 1.00 0.00 O ATOM 0 H GLU A 10 106.473 8.122 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 10 106.564 8.501 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 10 108.576 9.639 -9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 10 107.519 10.116 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 10 108.756 8.446 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 10 109.900 8.251 -8.193 1.00 0.00 H new ATOM 212 N LEU A 11 108.080 6.085 -8.400 1.00 0.00 N ATOM 213 CA LEU A 11 108.684 4.809 -8.552 1.00 0.00 C ATOM 214 C LEU A 11 107.802 3.961 -9.453 1.00 0.00 C ATOM 215 O LEU A 11 106.578 3.946 -9.321 1.00 0.00 O ATOM 216 CB LEU A 11 108.906 4.146 -7.195 1.00 0.00 C ATOM 217 CG LEU A 11 109.822 4.890 -6.208 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.941 4.110 -4.926 1.00 0.00 C ATOM 219 CD2 LEU A 11 111.204 5.124 -6.800 1.00 0.00 C ATOM 0 H LEU A 11 107.807 6.308 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 11 109.666 4.916 -9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 11 107.935 4.007 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 11 109.323 3.153 -7.365 1.00 0.00 H new ATOM 0 HG LEU A 11 109.373 5.862 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.591 4.645 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 11 108.954 3.992 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.364 3.128 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 11 111.825 5.652 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.663 4.166 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 11 111.115 5.723 -7.707 1.00 0.00 H new ATOM 231 N LYS A 12 108.417 3.318 -10.380 1.00 0.00 N ATOM 232 CA LYS A 12 107.702 2.559 -11.396 1.00 0.00 C ATOM 233 C LYS A 12 107.493 1.120 -10.979 1.00 0.00 C ATOM 234 O LYS A 12 107.978 0.685 -9.928 1.00 0.00 O ATOM 235 CB LYS A 12 108.433 2.636 -12.742 1.00 0.00 C ATOM 236 CG LYS A 12 109.808 2.006 -12.742 1.00 0.00 C ATOM 237 CD LYS A 12 109.847 0.692 -13.514 1.00 0.00 C ATOM 238 CE LYS A 12 111.272 0.176 -13.629 1.00 0.00 C ATOM 239 NZ LYS A 12 111.352 -1.111 -14.349 1.00 0.00 N ATOM 0 H LYS A 12 109.432 3.290 -10.473 1.00 0.00 H new ATOM 0 HA LYS A 12 106.716 3.010 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 12 107.823 2.148 -13.502 1.00 0.00 H new ATOM 0 HB3 LYS A 12 108.526 3.683 -13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 12 110.523 2.702 -13.180 1.00 0.00 H new ATOM 0 HG3 LYS A 12 110.123 1.829 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 12 109.226 -0.049 -13.011 1.00 0.00 H new ATOM 0 HD3 LYS A 12 109.426 0.837 -14.509 1.00 0.00 H new ATOM 0 HE2 LYS A 12 111.882 0.916 -14.146 1.00 0.00 H new ATOM 0 HE3 LYS A 12 111.693 0.057 -12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 112.297 -1.215 -14.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 111.181 -1.892 -13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 110.634 -1.133 -15.101 1.00 0.00 H new ATOM 253 N GLY A 13 106.785 0.395 -11.810 1.00 0.00 N ATOM 254 CA GLY A 13 106.527 -0.976 -11.542 1.00 0.00 C ATOM 255 C GLY A 13 105.173 -1.165 -10.906 1.00 0.00 C ATOM 256 O GLY A 13 104.143 -0.872 -11.521 1.00 0.00 O ATOM 0 H GLY A 13 106.381 0.745 -12.679 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.578 -1.546 -12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.299 -1.371 -10.882 1.00 0.00 H new ATOM 260 N LYS A 14 105.173 -1.638 -9.704 1.00 0.00 N ATOM 261 CA LYS A 14 103.976 -1.857 -8.923 1.00 0.00 C ATOM 262 C LYS A 14 104.232 -1.390 -7.519 1.00 0.00 C ATOM 263 O LYS A 14 105.376 -1.340 -7.077 1.00 0.00 O ATOM 264 CB LYS A 14 103.541 -3.335 -8.925 1.00 0.00 C ATOM 265 CG LYS A 14 104.652 -4.296 -8.546 1.00 0.00 C ATOM 266 CD LYS A 14 105.233 -5.021 -9.758 1.00 0.00 C ATOM 267 CE LYS A 14 104.507 -6.340 -10.075 1.00 0.00 C ATOM 268 NZ LYS A 14 103.045 -6.206 -10.302 1.00 0.00 N ATOM 0 H LYS A 14 106.029 -1.895 -9.212 1.00 0.00 H new ATOM 0 HA LYS A 14 103.160 -1.291 -9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 14 102.710 -3.461 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.170 -3.594 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.446 -3.748 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.268 -5.029 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 14 105.179 -4.365 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 14 106.288 -5.227 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 14 104.959 -6.784 -10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 14 104.671 -7.036 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 102.639 -7.141 -10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 102.596 -5.814 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 102.876 -5.570 -11.107 1.00 0.00 H new ATOM 282 N PHE A 15 103.196 -1.074 -6.838 1.00 0.00 N ATOM 283 CA PHE A 15 103.260 -0.524 -5.544 1.00 0.00 C ATOM 284 C PHE A 15 102.489 -1.441 -4.627 1.00 0.00 C ATOM 285 O PHE A 15 101.268 -1.563 -4.741 1.00 0.00 O ATOM 286 CB PHE A 15 102.627 0.859 -5.608 1.00 0.00 C ATOM 287 CG PHE A 15 102.700 1.691 -4.364 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.468 1.311 -3.278 1.00 0.00 C ATOM 289 CD2 PHE A 15 102.017 2.880 -4.310 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.550 2.110 -2.160 1.00 0.00 C ATOM 291 CE2 PHE A 15 102.083 3.684 -3.202 1.00 0.00 C ATOM 292 CZ PHE A 15 102.855 3.302 -2.122 1.00 0.00 C ATOM 0 H PHE A 15 102.244 -1.197 -7.183 1.00 0.00 H new ATOM 0 HA PHE A 15 104.281 -0.429 -5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.103 1.414 -6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.577 0.741 -5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.009 0.377 -3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.418 3.187 -5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 15 104.154 1.806 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.533 4.613 -3.173 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.915 3.935 -1.249 1.00 0.00 H new ATOM 302 N ILE A 16 103.178 -2.075 -3.752 1.00 0.00 N ATOM 303 CA ILE A 16 102.582 -3.020 -2.864 1.00 0.00 C ATOM 304 C ILE A 16 102.777 -2.603 -1.435 1.00 0.00 C ATOM 305 O ILE A 16 103.724 -1.890 -1.102 1.00 0.00 O ATOM 306 CB ILE A 16 103.051 -4.503 -3.075 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.588 -4.654 -3.122 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.409 -5.111 -4.310 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.240 -4.218 -4.435 1.00 0.00 C ATOM 0 H ILE A 16 104.183 -1.956 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 16 101.520 -3.014 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 16 102.713 -5.055 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 16 105.020 -4.072 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.841 -5.698 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.753 -6.138 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 16 101.325 -5.102 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.688 -4.530 -5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.319 -4.361 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.842 -4.816 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 16 105.024 -3.165 -4.616 1.00 0.00 H new ATOM 321 N HIS A 17 101.872 -3.009 -0.609 1.00 0.00 N ATOM 322 CA HIS A 17 101.907 -2.667 0.775 1.00 0.00 C ATOM 323 C HIS A 17 101.654 -3.935 1.559 1.00 0.00 C ATOM 324 O HIS A 17 100.509 -4.381 1.715 1.00 0.00 O ATOM 325 CB HIS A 17 100.844 -1.602 1.025 1.00 0.00 C ATOM 326 CG HIS A 17 100.782 -1.037 2.401 1.00 0.00 C ATOM 327 ND1 HIS A 17 99.608 -0.689 3.022 1.00 0.00 N ATOM 328 CD2 HIS A 17 101.768 -0.664 3.232 1.00 0.00 C ATOM 329 CE1 HIS A 17 99.905 -0.119 4.177 1.00 0.00 C ATOM 330 NE2 HIS A 17 101.213 -0.075 4.358 1.00 0.00 N ATOM 0 H HIS A 17 101.080 -3.593 -0.877 1.00 0.00 H new ATOM 0 HA HIS A 17 102.867 -2.256 1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 17 101.011 -0.782 0.327 1.00 0.00 H new ATOM 0 HB3 HIS A 17 99.870 -2.029 0.787 1.00 0.00 H new ATOM 0 HD1 HIS A 17 98.669 -0.844 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 17 102.824 -0.801 3.052 1.00 0.00 H new ATOM 0 HE1 HIS A 17 99.176 0.260 4.878 1.00 0.00 H new ATOM 338 N THR A 18 102.712 -4.505 2.034 1.00 0.00 N ATOM 339 CA THR A 18 102.646 -5.797 2.676 1.00 0.00 C ATOM 340 C THR A 18 103.273 -5.793 4.090 1.00 0.00 C ATOM 341 O THR A 18 104.267 -5.141 4.340 1.00 0.00 O ATOM 342 CB THR A 18 103.289 -6.885 1.773 1.00 0.00 C ATOM 343 OG1 THR A 18 103.077 -8.178 2.326 1.00 0.00 O ATOM 344 CG2 THR A 18 104.787 -6.654 1.578 1.00 0.00 C ATOM 0 H THR A 18 103.647 -4.099 1.994 1.00 0.00 H new ATOM 0 HA THR A 18 101.591 -6.037 2.812 1.00 0.00 H new ATOM 0 HB THR A 18 102.806 -6.818 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 18 103.928 -8.536 2.655 1.00 0.00 H new ATOM 0 HG21 THR A 18 105.196 -7.438 0.940 1.00 0.00 H new ATOM 0 HG22 THR A 18 104.947 -5.684 1.108 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.288 -6.676 2.546 1.00 0.00 H new ATOM 352 N LYS A 19 102.652 -6.523 4.985 1.00 0.00 N ATOM 353 CA LYS A 19 103.039 -6.598 6.383 1.00 0.00 C ATOM 354 C LYS A 19 104.104 -7.668 6.616 1.00 0.00 C ATOM 355 O LYS A 19 103.977 -8.797 6.145 1.00 0.00 O ATOM 356 CB LYS A 19 101.744 -6.862 7.217 1.00 0.00 C ATOM 357 CG LYS A 19 101.840 -7.036 8.768 1.00 0.00 C ATOM 358 CD LYS A 19 102.518 -8.351 9.212 1.00 0.00 C ATOM 359 CE LYS A 19 102.221 -8.694 10.658 1.00 0.00 C ATOM 360 NZ LYS A 19 100.809 -9.042 10.873 1.00 0.00 N ATOM 0 H LYS A 19 101.841 -7.099 4.760 1.00 0.00 H new ATOM 0 HA LYS A 19 103.495 -5.660 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 19 101.059 -6.036 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.278 -7.762 6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.395 -6.195 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.836 -6.996 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.180 -9.165 8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.596 -8.265 9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.849 -9.529 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.484 -7.846 11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.711 -9.552 11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.238 -8.173 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.478 -9.647 10.094 1.00 0.00 H new ATOM 374 N LEU A 20 105.129 -7.304 7.357 1.00 0.00 N ATOM 375 CA LEU A 20 106.147 -8.227 7.777 1.00 0.00 C ATOM 376 C LEU A 20 106.087 -8.331 9.255 1.00 0.00 C ATOM 377 O LEU A 20 106.074 -7.305 9.976 1.00 0.00 O ATOM 378 CB LEU A 20 107.544 -7.793 7.342 1.00 0.00 C ATOM 379 CG LEU A 20 108.247 -8.719 6.362 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.406 -9.005 5.141 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.559 -8.122 5.961 1.00 0.00 C ATOM 0 H LEU A 20 105.275 -6.349 7.685 1.00 0.00 H new ATOM 0 HA LEU A 20 105.960 -9.191 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.473 -6.803 6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.167 -7.694 8.231 1.00 0.00 H new ATOM 0 HG LEU A 20 108.413 -9.672 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.951 -9.670 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.473 -9.480 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 20 107.186 -8.071 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 20 110.062 -8.787 5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.389 -7.155 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.183 -7.989 6.845 1.00 0.00 H new ATOM 393 N ARG A 21 105.997 -9.523 9.723 1.00 0.00 N ATOM 394 CA ARG A 21 105.930 -9.752 11.103 1.00 0.00 C ATOM 395 C ARG A 21 107.339 -9.869 11.639 1.00 0.00 C ATOM 396 O ARG A 21 108.014 -10.869 11.381 1.00 0.00 O ATOM 397 CB ARG A 21 105.168 -11.030 11.391 1.00 0.00 C ATOM 398 CG ARG A 21 104.899 -11.248 12.856 1.00 0.00 C ATOM 399 CD ARG A 21 104.327 -12.615 13.106 1.00 0.00 C ATOM 400 NE ARG A 21 104.050 -12.814 14.524 1.00 0.00 N ATOM 401 CZ ARG A 21 104.726 -13.620 15.341 1.00 0.00 C ATOM 402 NH1 ARG A 21 105.805 -14.284 14.912 1.00 0.00 N ATOM 403 NH2 ARG A 21 104.333 -13.742 16.599 1.00 0.00 N ATOM 0 H ARG A 21 105.968 -10.365 9.149 1.00 0.00 H new ATOM 0 HA ARG A 21 105.409 -8.925 11.585 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.220 -11.008 10.854 1.00 0.00 H new ATOM 0 HB3 ARG A 21 105.734 -11.877 11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 21 105.824 -11.129 13.420 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.206 -10.489 13.218 1.00 0.00 H new ATOM 0 HD2 ARG A 21 103.409 -12.740 12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.027 -13.375 12.758 1.00 0.00 H new ATOM 0 HE ARG A 21 103.271 -12.291 14.925 1.00 0.00 H new ATOM 0 HH11 ARG A 21 106.120 -14.177 13.948 1.00 0.00 H new ATOM 0 HH12 ARG A 21 106.313 -14.898 15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 21 103.521 -13.222 16.932 1.00 0.00 H new ATOM 0 HH22 ARG A 21 104.842 -14.356 17.235 1.00 0.00 H new ATOM 417 N LYS A 22 107.797 -8.815 12.299 1.00 0.00 N ATOM 418 CA LYS A 22 109.055 -8.782 12.968 1.00 0.00 C ATOM 419 C LYS A 22 109.371 -10.013 13.706 1.00 0.00 C ATOM 420 O LYS A 22 108.679 -10.370 14.677 1.00 0.00 O ATOM 421 CB LYS A 22 109.079 -7.673 13.927 1.00 0.00 C ATOM 422 CG LYS A 22 109.634 -6.454 13.360 1.00 0.00 C ATOM 423 CD LYS A 22 108.810 -5.786 12.336 1.00 0.00 C ATOM 424 CE LYS A 22 107.734 -4.951 12.965 1.00 0.00 C ATOM 425 NZ LYS A 22 108.267 -3.798 13.742 1.00 0.00 N ATOM 0 H LYS A 22 107.275 -7.942 12.376 1.00 0.00 H new ATOM 0 HA LYS A 22 109.801 -8.662 12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.065 -7.478 14.276 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.666 -7.964 14.798 1.00 0.00 H new ATOM 0 HG2 LYS A 22 109.814 -5.748 14.171 1.00 0.00 H new ATOM 0 HG3 LYS A 22 110.604 -6.689 12.921 1.00 0.00 H new ATOM 0 HD2 LYS A 22 109.443 -5.157 11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 22 108.359 -6.534 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 22 107.069 -4.579 12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 22 107.134 -5.579 13.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 107.477 -3.260 14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 108.880 -4.148 14.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 108.817 -3.180 13.112 1.00 0.00 H new ATOM 439 N SER A 23 110.437 -10.607 13.268 1.00 0.00 N ATOM 440 CA SER A 23 110.957 -11.796 13.802 1.00 0.00 C ATOM 441 C SER A 23 112.001 -11.384 14.878 1.00 0.00 C ATOM 442 O SER A 23 111.730 -10.453 15.642 1.00 0.00 O ATOM 443 CB SER A 23 111.557 -12.608 12.634 1.00 0.00 C ATOM 444 OG SER A 23 111.927 -13.916 13.044 1.00 0.00 O ATOM 0 H SER A 23 110.985 -10.245 12.488 1.00 0.00 H new ATOM 0 HA SER A 23 110.212 -12.430 14.283 1.00 0.00 H new ATOM 0 HB2 SER A 23 110.831 -12.672 11.823 1.00 0.00 H new ATOM 0 HB3 SER A 23 112.430 -12.089 12.240 1.00 0.00 H new ATOM 0 HG SER A 23 112.302 -14.404 12.281 1.00 0.00 H new ATOM 450 N SER A 24 113.157 -12.024 14.941 1.00 0.00 N ATOM 451 CA SER A 24 114.155 -11.732 15.978 1.00 0.00 C ATOM 452 C SER A 24 114.741 -10.289 15.918 1.00 0.00 C ATOM 453 O SER A 24 115.799 -10.053 15.335 1.00 0.00 O ATOM 454 CB SER A 24 115.266 -12.757 15.929 1.00 0.00 C ATOM 455 OG SER A 24 114.728 -14.064 15.996 1.00 0.00 O ATOM 0 H SER A 24 113.436 -12.754 14.286 1.00 0.00 H new ATOM 0 HA SER A 24 113.627 -11.792 16.930 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.840 -12.639 15.010 1.00 0.00 H new ATOM 0 HB3 SER A 24 115.955 -12.597 16.758 1.00 0.00 H new ATOM 0 HG SER A 24 115.456 -14.719 15.962 1.00 0.00 H new ATOM 461 N ARG A 25 114.004 -9.347 16.514 1.00 0.00 N ATOM 462 CA ARG A 25 114.377 -7.928 16.700 1.00 0.00 C ATOM 463 C ARG A 25 114.601 -7.228 15.389 1.00 0.00 C ATOM 464 O ARG A 25 115.376 -6.282 15.305 1.00 0.00 O ATOM 465 CB ARG A 25 115.612 -7.700 17.613 1.00 0.00 C ATOM 466 CG ARG A 25 115.531 -8.277 19.014 1.00 0.00 C ATOM 467 CD ARG A 25 116.050 -9.706 19.054 1.00 0.00 C ATOM 468 NE ARG A 25 117.471 -9.792 18.658 1.00 0.00 N ATOM 469 CZ ARG A 25 118.377 -10.622 19.201 1.00 0.00 C ATOM 470 NH1 ARG A 25 118.032 -11.438 20.190 1.00 0.00 N ATOM 471 NH2 ARG A 25 119.626 -10.622 18.758 1.00 0.00 N ATOM 0 H ARG A 25 113.084 -9.556 16.902 1.00 0.00 H new ATOM 0 HA ARG A 25 113.516 -7.496 17.210 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.486 -8.125 17.119 1.00 0.00 H new ATOM 0 HB3 ARG A 25 115.783 -6.627 17.695 1.00 0.00 H new ATOM 0 HG2 ARG A 25 116.111 -7.658 19.699 1.00 0.00 H new ATOM 0 HG3 ARG A 25 114.498 -8.253 19.360 1.00 0.00 H new ATOM 0 HD2 ARG A 25 115.930 -10.107 20.060 1.00 0.00 H new ATOM 0 HD3 ARG A 25 115.450 -10.328 18.389 1.00 0.00 H new ATOM 0 HE ARG A 25 117.789 -9.172 17.913 1.00 0.00 H new ATOM 0 HH11 ARG A 25 117.074 -11.437 20.542 1.00 0.00 H new ATOM 0 HH12 ARG A 25 118.724 -12.066 20.598 1.00 0.00 H new ATOM 0 HH21 ARG A 25 119.900 -9.992 18.004 1.00 0.00 H new ATOM 0 HH22 ARG A 25 120.313 -11.252 19.171 1.00 0.00 H new ATOM 485 N GLY A 26 113.947 -7.683 14.371 1.00 0.00 N ATOM 486 CA GLY A 26 114.132 -7.090 13.100 1.00 0.00 C ATOM 487 C GLY A 26 113.466 -7.863 12.036 1.00 0.00 C ATOM 488 O GLY A 26 112.354 -8.398 12.233 1.00 0.00 O ATOM 0 H GLY A 26 113.285 -8.459 14.400 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.739 -6.073 13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.198 -7.017 12.884 1.00 0.00 H new ATOM 492 N PHE A 27 114.131 -7.974 10.941 1.00 0.00 N ATOM 493 CA PHE A 27 113.576 -8.530 9.772 1.00 0.00 C ATOM 494 C PHE A 27 114.400 -9.694 9.225 1.00 0.00 C ATOM 495 O PHE A 27 114.185 -10.852 9.614 1.00 0.00 O ATOM 496 CB PHE A 27 113.485 -7.413 8.758 1.00 0.00 C ATOM 497 CG PHE A 27 112.491 -6.409 9.091 1.00 0.00 C ATOM 498 CD1 PHE A 27 111.152 -6.680 9.012 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.902 -5.187 9.539 1.00 0.00 C ATOM 500 CE1 PHE A 27 110.246 -5.739 9.388 1.00 0.00 C ATOM 501 CE2 PHE A 27 112.016 -4.251 9.896 1.00 0.00 C ATOM 502 CZ PHE A 27 110.687 -4.515 9.836 1.00 0.00 C ATOM 0 H PHE A 27 115.100 -7.671 10.837 1.00 0.00 H new ATOM 0 HA PHE A 27 112.594 -8.948 9.996 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.460 -6.933 8.670 1.00 0.00 H new ATOM 0 HB3 PHE A 27 113.249 -7.837 7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.815 -7.641 8.651 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.958 -4.973 9.606 1.00 0.00 H new ATOM 0 HE1 PHE A 27 109.188 -5.950 9.336 1.00 0.00 H new ATOM 0 HE2 PHE A 27 112.359 -3.284 10.232 1.00 0.00 H new ATOM 0 HZ PHE A 27 109.974 -3.763 10.140 1.00 0.00 H new ATOM 512 N GLY A 28 115.361 -9.409 8.405 1.00 0.00 N ATOM 513 CA GLY A 28 116.030 -10.455 7.691 1.00 0.00 C ATOM 514 C GLY A 28 116.112 -10.168 6.211 1.00 0.00 C ATOM 515 O GLY A 28 115.684 -10.970 5.372 1.00 0.00 O ATOM 0 H GLY A 28 115.700 -8.467 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 28 117.036 -10.582 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.503 -11.396 7.849 1.00 0.00 H new ATOM 519 N PHE A 29 116.608 -9.023 5.892 1.00 0.00 N ATOM 520 CA PHE A 29 116.902 -8.643 4.551 1.00 0.00 C ATOM 521 C PHE A 29 117.872 -7.487 4.596 1.00 0.00 C ATOM 522 O PHE A 29 117.792 -6.646 5.464 1.00 0.00 O ATOM 523 CB PHE A 29 115.628 -8.357 3.687 1.00 0.00 C ATOM 524 CG PHE A 29 114.650 -7.346 4.224 1.00 0.00 C ATOM 525 CD1 PHE A 29 114.813 -6.019 3.958 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.551 -7.738 4.964 1.00 0.00 C ATOM 527 CE1 PHE A 29 113.907 -5.080 4.416 1.00 0.00 C ATOM 528 CE2 PHE A 29 112.649 -6.810 5.428 1.00 0.00 C ATOM 529 CZ PHE A 29 112.825 -5.479 5.154 1.00 0.00 C ATOM 0 H PHE A 29 116.828 -8.301 6.578 1.00 0.00 H new ATOM 0 HA PHE A 29 117.367 -9.483 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.955 -8.022 2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 29 115.098 -9.298 3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 29 115.665 -5.695 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 29 113.399 -8.785 5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 29 114.053 -4.034 4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 29 111.798 -7.131 6.011 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.116 -4.750 5.517 1.00 0.00 H new ATOM 539 N THR A 30 118.793 -7.453 3.715 1.00 0.00 N ATOM 540 CA THR A 30 119.755 -6.415 3.736 1.00 0.00 C ATOM 541 C THR A 30 119.479 -5.471 2.588 1.00 0.00 C ATOM 542 O THR A 30 119.116 -5.909 1.489 1.00 0.00 O ATOM 543 CB THR A 30 121.190 -6.982 3.772 1.00 0.00 C ATOM 544 OG1 THR A 30 121.376 -7.925 2.706 1.00 0.00 O ATOM 545 CG2 THR A 30 121.427 -7.698 5.097 1.00 0.00 C ATOM 0 H THR A 30 118.906 -8.134 2.964 1.00 0.00 H new ATOM 0 HA THR A 30 119.672 -5.833 4.654 1.00 0.00 H new ATOM 0 HB THR A 30 121.892 -6.156 3.660 1.00 0.00 H new ATOM 0 HG1 THR A 30 121.018 -8.797 2.974 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.441 -8.097 5.119 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.296 -6.994 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.713 -8.515 5.202 1.00 0.00 H new ATOM 553 N VAL A 31 119.582 -4.192 2.840 1.00 0.00 N ATOM 554 CA VAL A 31 119.094 -3.196 1.910 1.00 0.00 C ATOM 555 C VAL A 31 120.178 -2.164 1.497 1.00 0.00 C ATOM 556 O VAL A 31 121.181 -1.998 2.185 1.00 0.00 O ATOM 557 CB VAL A 31 117.868 -2.462 2.555 1.00 0.00 C ATOM 558 CG1 VAL A 31 116.789 -3.429 2.958 1.00 0.00 C ATOM 559 CG2 VAL A 31 118.274 -1.669 3.740 1.00 0.00 C ATOM 0 H VAL A 31 120.002 -3.809 3.687 1.00 0.00 H new ATOM 0 HA VAL A 31 118.800 -3.712 0.996 1.00 0.00 H new ATOM 0 HB VAL A 31 117.474 -1.791 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 31 115.957 -2.882 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 31 116.440 -3.972 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 31 117.187 -4.136 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 31 117.400 -1.173 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 31 118.713 -2.330 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 31 119.008 -0.920 3.442 1.00 0.00 H new ATOM 569 N VAL A 32 119.950 -1.506 0.362 1.00 0.00 N ATOM 570 CA VAL A 32 120.788 -0.436 -0.152 1.00 0.00 C ATOM 571 C VAL A 32 120.016 0.846 -0.187 1.00 0.00 C ATOM 572 O VAL A 32 118.879 0.869 -0.594 1.00 0.00 O ATOM 573 CB VAL A 32 121.395 -0.687 -1.583 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.513 -1.684 -1.537 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.324 -1.127 -2.601 1.00 0.00 C ATOM 0 H VAL A 32 119.152 -1.712 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 32 121.631 -0.389 0.538 1.00 0.00 H new ATOM 0 HB VAL A 32 121.798 0.268 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 32 122.909 -1.833 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.305 -1.313 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 32 122.140 -2.632 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 32 120.790 -1.288 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 32 119.860 -2.054 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 32 119.564 -0.351 -2.688 1.00 0.00 H new ATOM 585 N GLY A 33 120.604 1.881 0.277 1.00 0.00 N ATOM 586 CA GLY A 33 119.972 3.150 0.190 1.00 0.00 C ATOM 587 C GLY A 33 119.676 3.699 1.528 1.00 0.00 C ATOM 588 O GLY A 33 120.465 3.482 2.463 1.00 0.00 O ATOM 0 H GLY A 33 121.522 1.881 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 33 120.615 3.842 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.047 3.059 -0.380 1.00 0.00 H new ATOM 592 N GLY A 34 118.532 4.385 1.606 1.00 0.00 N ATOM 593 CA GLY A 34 118.046 5.071 2.792 1.00 0.00 C ATOM 594 C GLY A 34 119.112 5.808 3.447 1.00 0.00 C ATOM 595 O GLY A 34 119.445 5.576 4.593 1.00 0.00 O ATOM 0 H GLY A 34 117.900 4.477 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.244 5.755 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.622 4.346 3.486 1.00 0.00 H new ATOM 599 N ASP A 35 119.676 6.667 2.724 1.00 0.00 N ATOM 600 CA ASP A 35 120.776 7.359 3.217 1.00 0.00 C ATOM 601 C ASP A 35 120.358 8.716 3.623 1.00 0.00 C ATOM 602 O ASP A 35 120.778 9.220 4.662 1.00 0.00 O ATOM 603 CB ASP A 35 121.867 7.389 2.174 1.00 0.00 C ATOM 604 CG ASP A 35 123.238 7.630 2.776 1.00 0.00 C ATOM 605 OD1 ASP A 35 123.479 8.676 3.385 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.092 6.745 2.680 1.00 0.00 O ATOM 0 H ASP A 35 119.392 6.913 1.776 1.00 0.00 H new ATOM 0 HA ASP A 35 121.177 6.856 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 35 121.873 6.444 1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.650 8.172 1.448 1.00 0.00 H new ATOM 611 N GLU A 36 119.435 9.278 2.887 1.00 0.00 N ATOM 612 CA GLU A 36 119.126 10.657 3.070 1.00 0.00 C ATOM 613 C GLU A 36 117.780 10.929 2.548 1.00 0.00 C ATOM 614 O GLU A 36 117.193 10.065 1.924 1.00 0.00 O ATOM 615 CB GLU A 36 120.289 11.515 2.494 1.00 0.00 C ATOM 616 CG GLU A 36 120.867 11.024 1.210 1.00 0.00 C ATOM 617 CD GLU A 36 122.163 11.758 0.879 1.00 0.00 C ATOM 618 OE1 GLU A 36 122.207 12.998 0.962 1.00 0.00 O ATOM 619 OE2 GLU A 36 123.182 11.125 0.612 1.00 0.00 O ATOM 0 H GLU A 36 118.894 8.802 2.165 1.00 0.00 H new ATOM 0 HA GLU A 36 119.067 10.941 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.929 12.533 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 36 121.085 11.564 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 36 121.059 9.953 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 36 120.147 11.168 0.404 1.00 0.00 H new ATOM 626 N PRO A 37 117.220 12.098 2.835 1.00 0.00 N ATOM 627 CA PRO A 37 115.865 12.471 2.462 1.00 0.00 C ATOM 628 C PRO A 37 115.803 12.811 1.004 1.00 0.00 C ATOM 629 O PRO A 37 115.427 13.907 0.593 1.00 0.00 O ATOM 630 CB PRO A 37 115.612 13.695 3.320 1.00 0.00 C ATOM 631 CG PRO A 37 116.708 13.706 4.311 1.00 0.00 C ATOM 632 CD PRO A 37 117.848 13.184 3.532 1.00 0.00 C ATOM 0 HA PRO A 37 115.130 11.681 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 37 115.615 14.605 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.639 13.639 3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 37 116.901 14.709 4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.483 13.077 5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.260 13.929 2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.666 12.848 4.170 1.00 0.00 H new ATOM 640 N ASP A 38 116.185 11.849 0.274 1.00 0.00 N ATOM 641 CA ASP A 38 116.373 11.878 -1.126 1.00 0.00 C ATOM 642 C ASP A 38 116.609 10.435 -1.568 1.00 0.00 C ATOM 643 O ASP A 38 115.971 9.931 -2.488 1.00 0.00 O ATOM 644 CB ASP A 38 117.593 12.755 -1.424 1.00 0.00 C ATOM 645 CG ASP A 38 117.967 12.825 -2.902 1.00 0.00 C ATOM 646 OD1 ASP A 38 118.432 11.820 -3.466 1.00 0.00 O ATOM 647 OD2 ASP A 38 117.837 13.933 -3.521 1.00 0.00 O ATOM 0 H ASP A 38 116.396 10.933 0.670 1.00 0.00 H new ATOM 0 HA ASP A 38 115.515 12.290 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 38 117.398 13.764 -1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 38 118.446 12.374 -0.862 1.00 0.00 H new ATOM 652 N GLU A 39 117.469 9.749 -0.842 1.00 0.00 N ATOM 653 CA GLU A 39 117.772 8.366 -1.129 1.00 0.00 C ATOM 654 C GLU A 39 116.937 7.468 -0.220 1.00 0.00 C ATOM 655 O GLU A 39 117.124 7.491 1.038 1.00 0.00 O ATOM 656 CB GLU A 39 119.266 8.099 -0.909 1.00 0.00 C ATOM 657 CG GLU A 39 119.700 6.653 -1.148 1.00 0.00 C ATOM 658 CD GLU A 39 119.524 6.178 -2.578 1.00 0.00 C ATOM 659 OE1 GLU A 39 118.382 5.975 -3.018 1.00 0.00 O ATOM 660 OE2 GLU A 39 120.526 5.947 -3.265 1.00 0.00 O ATOM 0 H GLU A 39 117.973 10.133 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 39 117.531 8.150 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 39 119.838 8.749 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.524 8.377 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 39 120.749 6.550 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.129 6.000 -0.488 1.00 0.00 H new ATOM 667 N PHE A 40 116.092 6.645 -0.894 1.00 0.00 N ATOM 668 CA PHE A 40 115.104 5.676 -0.327 1.00 0.00 C ATOM 669 C PHE A 40 115.795 4.334 -0.155 1.00 0.00 C ATOM 670 O PHE A 40 116.906 4.149 -0.655 1.00 0.00 O ATOM 671 CB PHE A 40 113.903 5.438 -1.286 1.00 0.00 C ATOM 672 CG PHE A 40 113.180 6.647 -1.856 1.00 0.00 C ATOM 673 CD1 PHE A 40 112.820 7.728 -1.071 1.00 0.00 C ATOM 674 CD2 PHE A 40 112.821 6.660 -3.202 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.121 8.801 -1.618 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.129 7.724 -3.753 1.00 0.00 C ATOM 677 CZ PHE A 40 111.777 8.797 -2.969 1.00 0.00 C ATOM 0 H PHE A 40 116.078 6.636 -1.914 1.00 0.00 H new ATOM 0 HA PHE A 40 114.738 6.090 0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.261 4.840 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.169 4.833 -0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.084 7.740 -0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.088 5.822 -3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 40 111.845 9.638 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 40 111.865 7.712 -4.800 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.238 9.630 -3.396 1.00 0.00 H new ATOM 687 N LEU A 41 115.200 3.409 0.589 1.00 0.00 N ATOM 688 CA LEU A 41 115.879 2.134 0.789 1.00 0.00 C ATOM 689 C LEU A 41 115.377 1.137 -0.203 1.00 0.00 C ATOM 690 O LEU A 41 114.252 1.164 -0.540 1.00 0.00 O ATOM 691 CB LEU A 41 115.717 1.531 2.181 1.00 0.00 C ATOM 692 CG LEU A 41 116.221 2.310 3.377 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.278 3.443 3.777 1.00 0.00 C ATOM 694 CD2 LEU A 41 116.485 1.375 4.529 1.00 0.00 C ATOM 0 H LEU A 41 114.293 3.507 1.044 1.00 0.00 H new ATOM 0 HA LEU A 41 116.939 2.354 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.655 1.339 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.219 0.564 2.182 1.00 0.00 H new ATOM 0 HG LEU A 41 117.159 2.786 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.687 3.969 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.171 4.139 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.302 3.031 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.847 1.945 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 41 115.562 0.861 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 41 117.237 0.641 4.237 1.00 0.00 H new ATOM 706 N GLN A 42 116.218 0.295 -0.663 1.00 0.00 N ATOM 707 CA GLN A 42 115.866 -0.747 -1.582 1.00 0.00 C ATOM 708 C GLN A 42 116.439 -2.028 -1.007 1.00 0.00 C ATOM 709 O GLN A 42 117.361 -1.969 -0.266 1.00 0.00 O ATOM 710 CB GLN A 42 116.538 -0.456 -2.902 1.00 0.00 C ATOM 711 CG GLN A 42 116.177 -1.398 -4.032 1.00 0.00 C ATOM 712 CD GLN A 42 117.180 -1.351 -5.162 1.00 0.00 C ATOM 713 OE1 GLN A 42 118.345 -1.048 -4.972 1.00 0.00 O ATOM 714 NE2 GLN A 42 116.769 -1.683 -6.326 1.00 0.00 N ATOM 0 H GLN A 42 117.206 0.300 -0.411 1.00 0.00 H new ATOM 0 HA GLN A 42 114.789 -0.823 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.286 0.561 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.618 -0.486 -2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.114 -2.416 -3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.189 -1.141 -4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 42 115.791 -1.934 -6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.419 -1.697 -7.112 1.00 0.00 H new ATOM 723 N ILE A 43 115.909 -3.148 -1.348 1.00 0.00 N ATOM 724 CA ILE A 43 116.389 -4.425 -0.792 1.00 0.00 C ATOM 725 C ILE A 43 117.492 -4.958 -1.698 1.00 0.00 C ATOM 726 O ILE A 43 117.270 -5.106 -2.891 1.00 0.00 O ATOM 727 CB ILE A 43 115.269 -5.512 -0.759 1.00 0.00 C ATOM 728 CG1 ILE A 43 113.918 -4.945 -0.286 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.686 -6.706 0.105 1.00 0.00 C ATOM 730 CD1 ILE A 43 113.926 -4.303 1.067 1.00 0.00 C ATOM 0 H ILE A 43 115.138 -3.237 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 43 116.731 -4.233 0.225 1.00 0.00 H new ATOM 0 HB ILE A 43 115.134 -5.856 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.577 -4.210 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.186 -5.753 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.887 -7.448 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.593 -7.152 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 43 115.875 -6.369 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 43 112.926 -3.938 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.231 -5.035 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 114.627 -3.468 1.070 1.00 0.00 H new ATOM 742 N LYS A 44 118.643 -5.280 -1.144 1.00 0.00 N ATOM 743 CA LYS A 44 119.761 -5.745 -1.953 1.00 0.00 C ATOM 744 C LYS A 44 120.025 -7.225 -1.785 1.00 0.00 C ATOM 745 O LYS A 44 120.696 -7.838 -2.625 1.00 0.00 O ATOM 746 CB LYS A 44 121.024 -4.892 -1.730 1.00 0.00 C ATOM 747 CG LYS A 44 121.695 -4.941 -0.330 1.00 0.00 C ATOM 748 CD LYS A 44 122.555 -6.174 -0.124 1.00 0.00 C ATOM 749 CE LYS A 44 123.406 -6.044 1.115 1.00 0.00 C ATOM 750 NZ LYS A 44 124.258 -7.220 1.321 1.00 0.00 N ATOM 0 H LYS A 44 118.833 -5.230 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 44 119.470 -5.610 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 44 121.767 -5.195 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 44 120.768 -3.854 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 44 122.310 -4.051 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 44 120.922 -4.912 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 44 121.918 -7.055 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 44 123.195 -6.324 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 44 124.030 -5.154 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 44 122.763 -5.905 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 124.826 -7.090 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 123.663 -8.066 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 124.890 -7.338 0.504 1.00 0.00 H new ATOM 764 N SER A 45 119.542 -7.798 -0.704 1.00 0.00 N ATOM 765 CA SER A 45 119.621 -9.227 -0.495 1.00 0.00 C ATOM 766 C SER A 45 118.525 -9.674 0.455 1.00 0.00 C ATOM 767 O SER A 45 118.356 -9.106 1.529 1.00 0.00 O ATOM 768 CB SER A 45 120.994 -9.638 0.072 1.00 0.00 C ATOM 769 OG SER A 45 122.057 -9.316 -0.821 1.00 0.00 O ATOM 0 H SER A 45 119.085 -7.288 0.052 1.00 0.00 H new ATOM 0 HA SER A 45 119.491 -9.713 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 45 121.157 -9.137 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.999 -10.710 0.270 1.00 0.00 H new ATOM 0 HG SER A 45 121.692 -8.891 -1.625 1.00 0.00 H new ATOM 775 N LEU A 46 117.772 -10.644 0.041 1.00 0.00 N ATOM 776 CA LEU A 46 116.794 -11.252 0.841 1.00 0.00 C ATOM 777 C LEU A 46 117.458 -12.301 1.707 1.00 0.00 C ATOM 778 O LEU A 46 118.009 -13.289 1.197 1.00 0.00 O ATOM 779 CB LEU A 46 115.718 -11.867 -0.061 1.00 0.00 C ATOM 780 CG LEU A 46 114.727 -12.810 0.593 1.00 0.00 C ATOM 781 CD1 LEU A 46 114.088 -12.151 1.773 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.677 -13.234 -0.408 1.00 0.00 C ATOM 0 H LEU A 46 117.835 -11.037 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 46 116.313 -10.521 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 46 115.158 -11.054 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 46 116.218 -12.406 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 46 115.258 -13.697 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 46 113.379 -12.838 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.855 -11.881 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.564 -11.252 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 46 112.970 -13.911 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 46 113.147 -12.355 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.156 -13.742 -1.245 1.00 0.00 H new ATOM 794 N VAL A 47 117.435 -12.077 2.989 1.00 0.00 N ATOM 795 CA VAL A 47 118.018 -12.979 3.912 1.00 0.00 C ATOM 796 C VAL A 47 116.977 -14.022 4.255 1.00 0.00 C ATOM 797 O VAL A 47 115.858 -13.701 4.686 1.00 0.00 O ATOM 798 CB VAL A 47 118.476 -12.241 5.195 1.00 0.00 C ATOM 799 CG1 VAL A 47 119.111 -13.196 6.167 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.439 -11.112 4.865 1.00 0.00 C ATOM 0 H VAL A 47 117.006 -11.256 3.416 1.00 0.00 H new ATOM 0 HA VAL A 47 118.899 -13.444 3.470 1.00 0.00 H new ATOM 0 HB VAL A 47 117.589 -11.811 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.424 -12.653 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 47 118.390 -13.965 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.980 -13.663 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.743 -10.613 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.318 -11.518 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.947 -10.395 4.208 1.00 0.00 H new ATOM 810 N LEU A 48 117.309 -15.248 4.027 1.00 0.00 N ATOM 811 CA LEU A 48 116.408 -16.315 4.303 1.00 0.00 C ATOM 812 C LEU A 48 116.266 -16.460 5.779 1.00 0.00 C ATOM 813 O LEU A 48 117.232 -16.174 6.521 1.00 0.00 O ATOM 814 CB LEU A 48 116.868 -17.579 3.618 1.00 0.00 C ATOM 815 CG LEU A 48 117.035 -17.426 2.100 1.00 0.00 C ATOM 816 CD1 LEU A 48 117.474 -18.728 1.458 1.00 0.00 C ATOM 817 CD2 LEU A 48 115.752 -16.881 1.445 1.00 0.00 C ATOM 0 H LEU A 48 118.209 -15.538 3.645 1.00 0.00 H new ATOM 0 HA LEU A 48 115.419 -16.098 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 48 117.818 -17.892 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 48 116.149 -18.374 3.818 1.00 0.00 H new ATOM 0 HG LEU A 48 117.825 -16.694 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 48 117.583 -18.585 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 48 118.429 -19.039 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 48 116.726 -19.498 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 48 115.905 -16.785 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 48 114.927 -17.568 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.515 -15.904 1.867 1.00 0.00 H new ATOM 829 N ASP A 49 115.058 -16.844 6.194 1.00 0.00 N ATOM 830 CA ASP A 49 114.627 -16.909 7.603 1.00 0.00 C ATOM 831 C ASP A 49 114.142 -15.521 8.065 1.00 0.00 C ATOM 832 O ASP A 49 113.757 -15.307 9.212 1.00 0.00 O ATOM 833 CB ASP A 49 115.713 -17.519 8.505 1.00 0.00 C ATOM 834 CG ASP A 49 115.301 -17.755 9.939 1.00 0.00 C ATOM 835 OD1 ASP A 49 114.501 -18.658 10.188 1.00 0.00 O ATOM 836 OD2 ASP A 49 115.848 -17.101 10.858 1.00 0.00 O ATOM 0 H ASP A 49 114.325 -17.128 5.544 1.00 0.00 H new ATOM 0 HA ASP A 49 113.779 -17.589 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 49 116.029 -18.469 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.581 -16.860 8.497 1.00 0.00 H new ATOM 841 N GLY A 50 114.146 -14.590 7.120 1.00 0.00 N ATOM 842 CA GLY A 50 113.600 -13.275 7.316 1.00 0.00 C ATOM 843 C GLY A 50 112.143 -13.288 7.005 1.00 0.00 C ATOM 844 O GLY A 50 111.747 -14.086 6.191 1.00 0.00 O ATOM 0 H GLY A 50 114.535 -14.739 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.760 -12.954 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 50 114.113 -12.558 6.675 1.00 0.00 H new ATOM 848 N PRO A 51 111.310 -12.347 7.482 1.00 0.00 N ATOM 849 CA PRO A 51 109.889 -12.491 7.337 1.00 0.00 C ATOM 850 C PRO A 51 109.467 -12.261 5.875 1.00 0.00 C ATOM 851 O PRO A 51 108.477 -12.804 5.400 1.00 0.00 O ATOM 852 CB PRO A 51 109.309 -11.523 8.390 1.00 0.00 C ATOM 853 CG PRO A 51 110.419 -10.575 8.749 1.00 0.00 C ATOM 854 CD PRO A 51 111.642 -10.990 7.961 1.00 0.00 C ATOM 0 HA PRO A 51 109.501 -13.492 7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.451 -10.983 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.963 -12.067 9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.139 -9.549 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.622 -10.610 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.833 -10.309 7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.537 -10.993 8.584 1.00 0.00 H new ATOM 862 N ALA A 52 110.301 -11.494 5.164 1.00 0.00 N ATOM 863 CA ALA A 52 110.166 -11.242 3.736 1.00 0.00 C ATOM 864 C ALA A 52 110.324 -12.553 2.978 1.00 0.00 C ATOM 865 O ALA A 52 109.566 -12.846 2.066 1.00 0.00 O ATOM 866 CB ALA A 52 111.252 -10.265 3.291 1.00 0.00 C ATOM 0 H ALA A 52 111.105 -11.023 5.580 1.00 0.00 H new ATOM 0 HA ALA A 52 109.184 -10.816 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.154 -10.074 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.145 -9.328 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.233 -10.694 3.494 1.00 0.00 H new ATOM 872 N ALA A 53 111.297 -13.345 3.412 1.00 0.00 N ATOM 873 CA ALA A 53 111.618 -14.641 2.820 1.00 0.00 C ATOM 874 C ALA A 53 110.490 -15.595 3.032 1.00 0.00 C ATOM 875 O ALA A 53 110.044 -16.306 2.133 1.00 0.00 O ATOM 876 CB ALA A 53 112.851 -15.214 3.514 1.00 0.00 C ATOM 0 H ALA A 53 111.897 -13.101 4.200 1.00 0.00 H new ATOM 0 HA ALA A 53 111.797 -14.506 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 53 113.097 -16.182 3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.692 -14.533 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.646 -15.337 4.577 1.00 0.00 H new ATOM 882 N LEU A 54 110.038 -15.569 4.223 1.00 0.00 N ATOM 883 CA LEU A 54 109.080 -16.455 4.743 1.00 0.00 C ATOM 884 C LEU A 54 107.697 -16.248 4.221 1.00 0.00 C ATOM 885 O LEU A 54 107.012 -17.206 3.846 1.00 0.00 O ATOM 886 CB LEU A 54 109.165 -16.311 6.167 1.00 0.00 C ATOM 887 CG LEU A 54 110.576 -16.611 6.634 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.590 -16.442 8.002 1.00 0.00 C ATOM 889 CD2 LEU A 54 111.023 -18.022 6.272 1.00 0.00 C ATOM 0 H LEU A 54 110.350 -14.880 4.907 1.00 0.00 H new ATOM 0 HA LEU A 54 109.297 -17.474 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 54 108.885 -15.298 6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.461 -16.987 6.652 1.00 0.00 H new ATOM 0 HG LEU A 54 111.274 -15.937 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.590 -16.648 8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.313 -15.416 8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.878 -17.128 8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 54 112.040 -18.184 6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.355 -18.746 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.995 -18.146 5.189 1.00 0.00 H new ATOM 901 N ASP A 55 107.273 -15.001 4.161 1.00 0.00 N ATOM 902 CA ASP A 55 105.958 -14.690 3.606 1.00 0.00 C ATOM 903 C ASP A 55 106.062 -14.719 2.096 1.00 0.00 C ATOM 904 O ASP A 55 105.073 -14.888 1.365 1.00 0.00 O ATOM 905 CB ASP A 55 105.460 -13.320 4.089 1.00 0.00 C ATOM 906 CG ASP A 55 103.951 -13.168 3.944 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.206 -14.051 4.422 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.471 -12.155 3.404 1.00 0.00 O ATOM 0 H ASP A 55 107.806 -14.193 4.483 1.00 0.00 H new ATOM 0 HA ASP A 55 105.234 -15.431 3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.738 -13.183 5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 55 105.958 -12.534 3.521 1.00 0.00 H new ATOM 913 N GLY A 56 107.314 -14.595 1.652 1.00 0.00 N ATOM 914 CA GLY A 56 107.689 -14.640 0.246 1.00 0.00 C ATOM 915 C GLY A 56 107.049 -13.585 -0.572 1.00 0.00 C ATOM 916 O GLY A 56 106.869 -13.735 -1.783 1.00 0.00 O ATOM 0 H GLY A 56 108.109 -14.458 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.772 -14.545 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 56 107.423 -15.615 -0.161 1.00 0.00 H new ATOM 920 N LYS A 57 106.751 -12.511 0.066 1.00 0.00 N ATOM 921 CA LYS A 57 106.016 -11.454 -0.537 1.00 0.00 C ATOM 922 C LYS A 57 106.957 -10.312 -0.938 1.00 0.00 C ATOM 923 O LYS A 57 106.586 -9.412 -1.695 1.00 0.00 O ATOM 924 CB LYS A 57 105.005 -10.986 0.475 1.00 0.00 C ATOM 925 CG LYS A 57 103.952 -10.028 -0.050 1.00 0.00 C ATOM 926 CD LYS A 57 102.980 -10.750 -0.971 1.00 0.00 C ATOM 927 CE LYS A 57 101.889 -9.831 -1.493 1.00 0.00 C ATOM 928 NZ LYS A 57 102.405 -8.799 -2.423 1.00 0.00 N ATOM 0 H LYS A 57 107.014 -12.337 1.036 1.00 0.00 H new ATOM 0 HA LYS A 57 105.517 -11.794 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.502 -11.859 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.535 -10.502 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.409 -9.584 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.432 -9.211 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 57 103.528 -11.175 -1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 57 102.525 -11.582 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 57 101.131 -10.427 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 57 101.398 -9.343 -0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 101.614 -8.222 -2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 103.083 -8.189 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 102.880 -9.261 -3.225 1.00 0.00 H new ATOM 942 N MET A 58 108.165 -10.364 -0.443 1.00 0.00 N ATOM 943 CA MET A 58 109.178 -9.375 -0.759 1.00 0.00 C ATOM 944 C MET A 58 110.356 -10.118 -1.334 1.00 0.00 C ATOM 945 O MET A 58 110.641 -11.244 -0.898 1.00 0.00 O ATOM 946 CB MET A 58 109.604 -8.591 0.486 1.00 0.00 C ATOM 947 CG MET A 58 108.519 -7.767 1.134 1.00 0.00 C ATOM 948 SD MET A 58 109.063 -7.005 2.684 1.00 0.00 S ATOM 949 CE MET A 58 110.585 -6.207 2.180 1.00 0.00 C ATOM 0 H MET A 58 108.482 -11.094 0.194 1.00 0.00 H new ATOM 0 HA MET A 58 108.782 -8.649 -1.469 1.00 0.00 H new ATOM 0 HB2 MET A 58 109.991 -9.295 1.223 1.00 0.00 H new ATOM 0 HB3 MET A 58 110.426 -7.929 0.214 1.00 0.00 H new ATOM 0 HG2 MET A 58 108.197 -6.988 0.443 1.00 0.00 H new ATOM 0 HG3 MET A 58 107.653 -8.400 1.328 1.00 0.00 H new ATOM 0 HE1 MET A 58 110.704 -5.272 2.727 1.00 0.00 H new ATOM 0 HE2 MET A 58 111.428 -6.863 2.395 1.00 0.00 H new ATOM 0 HE3 MET A 58 110.550 -5.999 1.111 1.00 0.00 H new ATOM 959 N GLU A 59 111.023 -9.523 -2.290 1.00 0.00 N ATOM 960 CA GLU A 59 112.106 -10.168 -3.025 1.00 0.00 C ATOM 961 C GLU A 59 113.117 -9.120 -3.404 1.00 0.00 C ATOM 962 O GLU A 59 112.740 -8.034 -3.852 1.00 0.00 O ATOM 963 CB GLU A 59 111.575 -10.793 -4.309 1.00 0.00 C ATOM 964 CG GLU A 59 110.580 -11.926 -4.133 1.00 0.00 C ATOM 965 CD GLU A 59 109.992 -12.348 -5.443 1.00 0.00 C ATOM 966 OE1 GLU A 59 110.722 -12.892 -6.288 1.00 0.00 O ATOM 967 OE2 GLU A 59 108.796 -12.087 -5.682 1.00 0.00 O ATOM 0 H GLU A 59 110.835 -8.567 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 59 112.550 -10.941 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 59 111.103 -10.010 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.421 -11.165 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 59 111.075 -12.777 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.783 -11.610 -3.460 1.00 0.00 H new ATOM 974 N THR A 60 114.390 -9.498 -3.324 1.00 0.00 N ATOM 975 CA THR A 60 115.519 -8.629 -3.537 1.00 0.00 C ATOM 976 C THR A 60 115.325 -7.762 -4.773 1.00 0.00 C ATOM 977 O THR A 60 115.314 -8.256 -5.896 1.00 0.00 O ATOM 978 CB THR A 60 116.743 -9.491 -3.763 1.00 0.00 C ATOM 979 OG1 THR A 60 116.873 -10.464 -2.715 1.00 0.00 O ATOM 980 CG2 THR A 60 117.955 -8.656 -3.800 1.00 0.00 C ATOM 0 H THR A 60 114.662 -10.455 -3.100 1.00 0.00 H new ATOM 0 HA THR A 60 115.629 -7.983 -2.666 1.00 0.00 H new ATOM 0 HB THR A 60 116.625 -10.004 -4.718 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.668 -11.014 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.828 -9.288 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 60 117.874 -7.933 -4.612 1.00 0.00 H new ATOM 0 HG23 THR A 60 118.062 -8.128 -2.853 1.00 0.00 H new ATOM 988 N GLY A 61 115.215 -6.486 -4.551 1.00 0.00 N ATOM 989 CA GLY A 61 114.929 -5.577 -5.606 1.00 0.00 C ATOM 990 C GLY A 61 113.792 -4.648 -5.243 1.00 0.00 C ATOM 991 O GLY A 61 113.617 -3.604 -5.894 1.00 0.00 O ATOM 0 H GLY A 61 115.322 -6.053 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 61 115.820 -4.992 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 61 114.672 -6.133 -6.508 1.00 0.00 H new ATOM 995 N ASP A 62 112.981 -5.028 -4.225 1.00 0.00 N ATOM 996 CA ASP A 62 111.865 -4.163 -3.758 1.00 0.00 C ATOM 997 C ASP A 62 112.464 -2.859 -3.278 1.00 0.00 C ATOM 998 O ASP A 62 113.563 -2.852 -2.742 1.00 0.00 O ATOM 999 CB ASP A 62 111.110 -4.695 -2.508 1.00 0.00 C ATOM 1000 CG ASP A 62 110.724 -6.156 -2.438 1.00 0.00 C ATOM 1001 OD1 ASP A 62 109.679 -6.564 -2.994 1.00 0.00 O ATOM 1002 OD2 ASP A 62 111.417 -6.895 -1.758 1.00 0.00 O ATOM 0 H ASP A 62 113.074 -5.909 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 62 111.176 -4.098 -4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 62 111.727 -4.478 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.196 -4.110 -2.405 1.00 0.00 H new ATOM 1007 N VAL A 63 111.784 -1.780 -3.445 1.00 0.00 N ATOM 1008 CA VAL A 63 112.261 -0.537 -2.893 1.00 0.00 C ATOM 1009 C VAL A 63 111.305 0.031 -1.871 1.00 0.00 C ATOM 1010 O VAL A 63 110.156 0.356 -2.181 1.00 0.00 O ATOM 1011 CB VAL A 63 112.777 0.498 -3.953 1.00 0.00 C ATOM 1012 CG1 VAL A 63 111.896 0.527 -5.154 1.00 0.00 C ATOM 1013 CG2 VAL A 63 112.928 1.906 -3.372 1.00 0.00 C ATOM 0 H VAL A 63 110.902 -1.720 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 63 113.170 -0.785 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 63 113.769 0.160 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.280 1.254 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 63 111.876 -0.461 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 63 110.886 0.809 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.288 2.583 -4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 63 111.962 2.254 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.642 1.885 -2.549 1.00 0.00 H new ATOM 1023 N ILE A 64 111.797 0.106 -0.647 1.00 0.00 N ATOM 1024 CA ILE A 64 111.056 0.552 0.484 1.00 0.00 C ATOM 1025 C ILE A 64 110.897 2.064 0.491 1.00 0.00 C ATOM 1026 O ILE A 64 111.905 2.857 0.547 1.00 0.00 O ATOM 1027 CB ILE A 64 111.631 0.061 1.845 1.00 0.00 C ATOM 1028 CG1 ILE A 64 111.558 -1.465 1.933 1.00 0.00 C ATOM 1029 CG2 ILE A 64 110.886 0.706 3.030 1.00 0.00 C ATOM 1030 CD1 ILE A 64 112.023 -2.018 3.262 1.00 0.00 C ATOM 0 H ILE A 64 112.757 -0.154 -0.422 1.00 0.00 H new ATOM 0 HA ILE A 64 110.073 0.094 0.378 1.00 0.00 H new ATOM 0 HB ILE A 64 112.676 0.367 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 64 110.530 -1.782 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 64 112.165 -1.896 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 64 111.310 0.344 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 64 110.991 1.790 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 64 109.830 0.441 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.943 -3.105 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 64 113.061 -1.732 3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 64 111.400 -1.616 4.061 1.00 0.00 H new ATOM 1042 N VAL A 65 109.642 2.432 0.463 1.00 0.00 N ATOM 1043 CA VAL A 65 109.172 3.777 0.418 1.00 0.00 C ATOM 1044 C VAL A 65 108.763 4.240 1.820 1.00 0.00 C ATOM 1045 O VAL A 65 108.953 5.380 2.157 1.00 0.00 O ATOM 1046 CB VAL A 65 107.944 3.858 -0.536 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.475 5.271 -0.739 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.240 3.201 -1.872 1.00 0.00 C ATOM 0 H VAL A 65 108.881 1.753 0.472 1.00 0.00 H new ATOM 0 HA VAL A 65 109.969 4.424 0.051 1.00 0.00 H new ATOM 0 HB VAL A 65 107.136 3.310 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.617 5.277 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.187 5.700 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 65 108.281 5.863 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.363 3.274 -2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 65 109.082 3.705 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.488 2.151 -1.714 1.00 0.00 H new ATOM 1058 N SER A 66 108.216 3.347 2.634 1.00 0.00 N ATOM 1059 CA SER A 66 107.776 3.717 3.974 1.00 0.00 C ATOM 1060 C SER A 66 107.414 2.451 4.741 1.00 0.00 C ATOM 1061 O SER A 66 107.331 1.369 4.137 1.00 0.00 O ATOM 1062 CB SER A 66 106.566 4.688 3.904 1.00 0.00 C ATOM 1063 OG SER A 66 106.290 5.269 5.169 1.00 0.00 O ATOM 0 H SER A 66 108.067 2.367 2.393 1.00 0.00 H new ATOM 0 HA SER A 66 108.582 4.235 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 66 106.771 5.475 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 66 105.687 4.150 3.550 1.00 0.00 H new ATOM 0 HG SER A 66 105.525 5.876 5.090 1.00 0.00 H new ATOM 1069 N VAL A 67 107.196 2.567 6.043 1.00 0.00 N ATOM 1070 CA VAL A 67 106.895 1.412 6.850 1.00 0.00 C ATOM 1071 C VAL A 67 106.107 1.741 8.122 1.00 0.00 C ATOM 1072 O VAL A 67 106.573 2.483 8.980 1.00 0.00 O ATOM 1073 CB VAL A 67 108.173 0.586 7.194 1.00 0.00 C ATOM 1074 CG1 VAL A 67 109.213 1.432 7.869 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.835 -0.583 8.067 1.00 0.00 C ATOM 0 H VAL A 67 107.224 3.449 6.554 1.00 0.00 H new ATOM 0 HA VAL A 67 106.245 0.796 6.229 1.00 0.00 H new ATOM 0 HB VAL A 67 108.582 0.223 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 67 110.088 0.822 8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 67 109.500 2.251 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 67 108.807 1.838 8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 67 108.743 -1.143 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 67 107.388 -0.227 8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 67 107.128 -1.231 7.549 1.00 0.00 H new ATOM 1085 N ASN A 68 104.890 1.214 8.165 1.00 0.00 N ATOM 1086 CA ASN A 68 103.966 1.242 9.323 1.00 0.00 C ATOM 1087 C ASN A 68 104.007 2.535 10.110 1.00 0.00 C ATOM 1088 O ASN A 68 104.638 2.620 11.175 1.00 0.00 O ATOM 1089 CB ASN A 68 104.327 0.139 10.224 1.00 0.00 C ATOM 1090 CG ASN A 68 103.267 -0.240 11.224 1.00 0.00 C ATOM 1091 OD1 ASN A 68 102.073 -0.201 10.957 1.00 0.00 O ATOM 1092 ND2 ASN A 68 103.700 -0.561 12.375 1.00 0.00 N ATOM 0 H ASN A 68 104.489 0.729 7.362 1.00 0.00 H new ATOM 0 HA ASN A 68 102.955 1.147 8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 68 104.567 -0.738 9.622 1.00 0.00 H new ATOM 0 HB3 ASN A 68 105.233 0.413 10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 68 103.044 -0.799 13.119 1.00 0.00 H new ATOM 0 HD22 ASN A 68 104.704 -0.581 12.555 1.00 0.00 H new ATOM 1099 N ASP A 69 103.399 3.519 9.569 1.00 0.00 N ATOM 1100 CA ASP A 69 103.278 4.883 10.194 1.00 0.00 C ATOM 1101 C ASP A 69 104.613 5.678 10.223 1.00 0.00 C ATOM 1102 O ASP A 69 104.623 6.915 10.330 1.00 0.00 O ATOM 1103 CB ASP A 69 102.648 4.784 11.618 1.00 0.00 C ATOM 1104 CG ASP A 69 102.641 6.084 12.396 1.00 0.00 C ATOM 1105 OD1 ASP A 69 101.841 6.982 12.076 1.00 0.00 O ATOM 1106 OD2 ASP A 69 103.398 6.210 13.391 1.00 0.00 O ATOM 0 H ASP A 69 102.943 3.452 8.659 1.00 0.00 H new ATOM 0 HA ASP A 69 102.610 5.455 9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 69 101.623 4.427 11.523 1.00 0.00 H new ATOM 0 HB3 ASP A 69 103.195 4.035 12.192 1.00 0.00 H new ATOM 1111 N THR A 70 105.715 4.993 10.082 1.00 0.00 N ATOM 1112 CA THR A 70 107.007 5.607 10.148 1.00 0.00 C ATOM 1113 C THR A 70 107.426 6.034 8.753 1.00 0.00 C ATOM 1114 O THR A 70 107.493 5.205 7.826 1.00 0.00 O ATOM 1115 CB THR A 70 108.012 4.618 10.752 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.392 4.000 11.902 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.280 5.338 11.195 1.00 0.00 C ATOM 0 H THR A 70 105.739 3.987 9.917 1.00 0.00 H new ATOM 0 HA THR A 70 106.975 6.491 10.785 1.00 0.00 H new ATOM 0 HB THR A 70 108.284 3.873 10.004 1.00 0.00 H new ATOM 0 HG1 THR A 70 106.755 3.318 11.603 1.00 0.00 H new ATOM 0 HG21 THR A 70 109.978 4.617 11.620 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.740 5.826 10.336 1.00 0.00 H new ATOM 0 HG23 THR A 70 109.030 6.087 11.946 1.00 0.00 H new ATOM 1125 N CYS A 71 107.700 7.308 8.606 1.00 0.00 N ATOM 1126 CA CYS A 71 108.002 7.885 7.331 1.00 0.00 C ATOM 1127 C CYS A 71 109.460 7.633 6.974 1.00 0.00 C ATOM 1128 O CYS A 71 110.320 8.510 7.080 1.00 0.00 O ATOM 1129 CB CYS A 71 107.679 9.375 7.351 1.00 0.00 C ATOM 1130 SG CYS A 71 107.772 10.185 5.737 1.00 0.00 S ATOM 0 H CYS A 71 107.718 7.974 9.379 1.00 0.00 H new ATOM 0 HA CYS A 71 107.388 7.416 6.563 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.675 9.511 7.754 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.367 9.874 8.034 1.00 0.00 H new ATOM 0 HG CYS A 71 107.478 11.445 5.866 1.00 0.00 H new ATOM 1136 N VAL A 72 109.720 6.422 6.553 1.00 0.00 N ATOM 1137 CA VAL A 72 111.047 5.988 6.170 1.00 0.00 C ATOM 1138 C VAL A 72 111.374 6.445 4.731 1.00 0.00 C ATOM 1139 O VAL A 72 112.468 6.220 4.195 1.00 0.00 O ATOM 1140 CB VAL A 72 111.193 4.451 6.426 1.00 0.00 C ATOM 1141 CG1 VAL A 72 112.514 3.879 5.947 1.00 0.00 C ATOM 1142 CG2 VAL A 72 111.069 4.212 7.916 1.00 0.00 C ATOM 0 H VAL A 72 109.009 5.696 6.464 1.00 0.00 H new ATOM 0 HA VAL A 72 111.803 6.466 6.793 1.00 0.00 H new ATOM 0 HB VAL A 72 110.410 3.948 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.545 2.810 6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.613 4.041 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 72 113.335 4.375 6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 72 111.167 3.146 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 72 111.855 4.757 8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 72 110.095 4.560 8.261 1.00 0.00 H new ATOM 1152 N LEU A 73 110.407 7.108 4.130 1.00 0.00 N ATOM 1153 CA LEU A 73 110.578 7.778 2.879 1.00 0.00 C ATOM 1154 C LEU A 73 111.681 8.803 3.069 1.00 0.00 C ATOM 1155 O LEU A 73 111.484 9.817 3.752 1.00 0.00 O ATOM 1156 CB LEU A 73 109.260 8.496 2.602 1.00 0.00 C ATOM 1157 CG LEU A 73 109.049 9.141 1.267 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.198 8.127 0.164 1.00 0.00 C ATOM 1159 CD2 LEU A 73 107.661 9.744 1.256 1.00 0.00 C ATOM 0 H LEU A 73 109.466 7.191 4.514 1.00 0.00 H new ATOM 0 HA LEU A 73 110.834 7.103 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.456 7.775 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.140 9.268 3.362 1.00 0.00 H new ATOM 0 HG LEU A 73 109.795 9.918 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.042 8.612 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.200 7.699 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.461 7.335 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.480 10.222 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 73 106.922 8.959 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.580 10.486 2.050 1.00 0.00 H new ATOM 1171 N GLY A 74 112.808 8.553 2.445 1.00 0.00 N ATOM 1172 CA GLY A 74 113.949 9.400 2.617 1.00 0.00 C ATOM 1173 C GLY A 74 114.417 9.451 4.063 1.00 0.00 C ATOM 1174 O GLY A 74 114.580 10.531 4.637 1.00 0.00 O ATOM 0 H GLY A 74 112.953 7.766 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 74 114.763 9.042 1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.705 10.408 2.281 1.00 0.00 H new ATOM 1178 N HIS A 75 114.560 8.309 4.667 1.00 0.00 N ATOM 1179 CA HIS A 75 115.051 8.228 6.007 1.00 0.00 C ATOM 1180 C HIS A 75 116.545 8.129 5.918 1.00 0.00 C ATOM 1181 O HIS A 75 117.068 7.493 5.016 1.00 0.00 O ATOM 1182 CB HIS A 75 114.503 6.991 6.697 1.00 0.00 C ATOM 1183 CG HIS A 75 113.931 7.234 8.050 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.793 7.969 8.302 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.361 6.808 9.233 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.583 7.963 9.618 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.516 7.267 10.236 1.00 0.00 N ATOM 0 H HIS A 75 114.339 7.408 4.243 1.00 0.00 H new ATOM 0 HA HIS A 75 114.742 9.101 6.582 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.731 6.551 6.065 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.303 6.255 6.783 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.213 8.435 7.604 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.237 6.196 9.391 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.761 8.460 10.111 1.00 0.00 H new ATOM 1195 N THR A 76 117.215 8.778 6.806 1.00 0.00 N ATOM 1196 CA THR A 76 118.646 8.762 6.836 1.00 0.00 C ATOM 1197 C THR A 76 119.127 7.400 7.366 1.00 0.00 C ATOM 1198 O THR A 76 118.459 6.854 8.245 1.00 0.00 O ATOM 1199 CB THR A 76 119.098 9.879 7.796 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.442 11.105 7.438 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.605 10.088 7.798 1.00 0.00 C ATOM 0 H THR A 76 116.787 9.341 7.541 1.00 0.00 H new ATOM 0 HA THR A 76 119.060 8.919 5.840 1.00 0.00 H new ATOM 0 HB THR A 76 118.820 9.571 8.804 1.00 0.00 H new ATOM 0 HG1 THR A 76 118.726 11.818 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 76 120.861 10.887 8.494 1.00 0.00 H new ATOM 0 HG22 THR A 76 121.100 9.167 8.106 1.00 0.00 H new ATOM 0 HG23 THR A 76 120.936 10.360 6.796 1.00 0.00 H new ATOM 1209 N HIS A 77 120.237 6.861 6.859 1.00 0.00 N ATOM 1210 CA HIS A 77 120.752 5.530 7.271 1.00 0.00 C ATOM 1211 C HIS A 77 120.773 5.340 8.773 1.00 0.00 C ATOM 1212 O HIS A 77 120.239 4.359 9.270 1.00 0.00 O ATOM 1213 CB HIS A 77 122.158 5.299 6.675 1.00 0.00 C ATOM 1214 CG HIS A 77 122.893 4.069 7.180 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.538 2.758 6.912 1.00 0.00 N ATOM 1216 CD2 HIS A 77 123.989 3.996 7.961 1.00 0.00 C ATOM 1217 CE1 HIS A 77 123.414 1.960 7.526 1.00 0.00 C ATOM 1218 NE2 HIS A 77 124.323 2.666 8.180 1.00 0.00 N ATOM 0 H HIS A 77 120.811 7.323 6.153 1.00 0.00 H new ATOM 0 HA HIS A 77 120.060 4.786 6.877 1.00 0.00 H new ATOM 0 HB2 HIS A 77 122.066 5.225 5.591 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.770 6.177 6.884 1.00 0.00 H new ATOM 0 HD2 HIS A 77 124.527 4.845 8.357 1.00 0.00 H new ATOM 0 HE1 HIS A 77 123.385 0.881 7.494 1.00 0.00 H new ATOM 0 HE2 HIS A 77 125.104 2.308 8.729 1.00 0.00 H new ATOM 1226 N ALA A 78 121.288 6.310 9.476 1.00 0.00 N ATOM 1227 CA ALA A 78 121.415 6.240 10.922 1.00 0.00 C ATOM 1228 C ALA A 78 120.036 6.170 11.595 1.00 0.00 C ATOM 1229 O ALA A 78 119.840 5.499 12.627 1.00 0.00 O ATOM 1230 CB ALA A 78 122.192 7.439 11.410 1.00 0.00 C ATOM 0 H ALA A 78 121.635 7.179 9.069 1.00 0.00 H new ATOM 0 HA ALA A 78 121.952 5.330 11.189 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.290 7.392 12.495 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.183 7.440 10.955 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.665 8.352 11.133 1.00 0.00 H new ATOM 1236 N GLN A 79 119.075 6.806 10.969 1.00 0.00 N ATOM 1237 CA GLN A 79 117.744 6.867 11.488 1.00 0.00 C ATOM 1238 C GLN A 79 117.022 5.555 11.203 1.00 0.00 C ATOM 1239 O GLN A 79 116.452 4.921 12.099 1.00 0.00 O ATOM 1240 CB GLN A 79 116.990 8.030 10.849 1.00 0.00 C ATOM 1241 CG GLN A 79 117.622 9.395 11.064 1.00 0.00 C ATOM 1242 CD GLN A 79 117.813 9.759 12.511 1.00 0.00 C ATOM 1243 OE1 GLN A 79 117.065 9.337 13.382 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.817 10.544 12.770 1.00 0.00 N ATOM 0 H GLN A 79 119.202 7.295 10.083 1.00 0.00 H new ATOM 0 HA GLN A 79 117.785 7.024 12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.910 7.847 9.777 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.975 8.049 11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.590 9.419 10.563 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.998 10.152 10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.416 10.873 12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 79 119.005 10.831 13.730 1.00 0.00 H new ATOM 1253 N VAL A 80 117.090 5.132 9.962 1.00 0.00 N ATOM 1254 CA VAL A 80 116.433 3.922 9.552 1.00 0.00 C ATOM 1255 C VAL A 80 117.031 2.694 10.255 1.00 0.00 C ATOM 1256 O VAL A 80 116.292 1.836 10.745 1.00 0.00 O ATOM 1257 CB VAL A 80 116.382 3.753 7.997 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.764 3.652 7.378 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.524 2.558 7.632 1.00 0.00 C ATOM 0 H VAL A 80 117.597 5.613 9.219 1.00 0.00 H new ATOM 0 HA VAL A 80 115.394 4.005 9.872 1.00 0.00 H new ATOM 0 HB VAL A 80 115.928 4.653 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.671 3.536 6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.329 4.558 7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.286 2.789 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.495 2.449 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 80 115.947 1.657 8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.512 2.708 8.009 1.00 0.00 H new ATOM 1269 N VAL A 81 118.356 2.667 10.390 1.00 0.00 N ATOM 1270 CA VAL A 81 119.028 1.544 11.021 1.00 0.00 C ATOM 1271 C VAL A 81 118.645 1.399 12.471 1.00 0.00 C ATOM 1272 O VAL A 81 118.302 0.317 12.901 1.00 0.00 O ATOM 1273 CB VAL A 81 120.602 1.522 10.839 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.308 2.635 11.601 1.00 0.00 C ATOM 1275 CG2 VAL A 81 121.184 0.163 11.219 1.00 0.00 C ATOM 0 H VAL A 81 118.979 3.409 10.071 1.00 0.00 H new ATOM 0 HA VAL A 81 118.664 0.672 10.477 1.00 0.00 H new ATOM 0 HB VAL A 81 120.784 1.700 9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.383 2.564 11.435 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.949 3.602 11.248 1.00 0.00 H new ATOM 0 HG13 VAL A 81 121.098 2.537 12.666 1.00 0.00 H new ATOM 0 HG21 VAL A 81 122.265 0.180 11.083 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.952 -0.053 12.262 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.750 -0.609 10.583 1.00 0.00 H new ATOM 1285 N LYS A 82 118.609 2.487 13.212 1.00 0.00 N ATOM 1286 CA LYS A 82 118.346 2.346 14.607 1.00 0.00 C ATOM 1287 C LYS A 82 116.880 1.989 14.917 1.00 0.00 C ATOM 1288 O LYS A 82 116.606 1.352 15.918 1.00 0.00 O ATOM 1289 CB LYS A 82 118.946 3.502 15.435 1.00 0.00 C ATOM 1290 CG LYS A 82 118.005 4.577 15.989 1.00 0.00 C ATOM 1291 CD LYS A 82 117.343 5.386 14.907 1.00 0.00 C ATOM 1292 CE LYS A 82 116.486 6.508 15.468 1.00 0.00 C ATOM 1293 NZ LYS A 82 115.463 6.028 16.422 1.00 0.00 N ATOM 0 H LYS A 82 118.754 3.440 12.878 1.00 0.00 H new ATOM 0 HA LYS A 82 118.888 1.465 14.951 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.478 3.063 16.278 1.00 0.00 H new ATOM 0 HB3 LYS A 82 119.690 4.002 14.814 1.00 0.00 H new ATOM 0 HG2 LYS A 82 117.239 4.102 16.602 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.567 5.244 16.643 1.00 0.00 H new ATOM 0 HD2 LYS A 82 118.106 5.807 14.253 1.00 0.00 H new ATOM 0 HD3 LYS A 82 116.724 4.731 14.294 1.00 0.00 H new ATOM 0 HE2 LYS A 82 117.128 7.234 15.966 1.00 0.00 H new ATOM 0 HE3 LYS A 82 115.994 7.028 14.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 114.719 6.748 16.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 115.044 5.145 16.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 115.906 5.853 17.347 1.00 0.00 H new ATOM 1307 N ILE A 83 115.943 2.374 14.045 1.00 0.00 N ATOM 1308 CA ILE A 83 114.546 2.002 14.273 1.00 0.00 C ATOM 1309 C ILE A 83 114.375 0.515 13.985 1.00 0.00 C ATOM 1310 O ILE A 83 113.925 -0.276 14.837 1.00 0.00 O ATOM 1311 CB ILE A 83 113.572 2.830 13.384 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.693 4.318 13.726 1.00 0.00 C ATOM 1313 CG2 ILE A 83 112.124 2.349 13.565 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.811 5.220 12.896 1.00 0.00 C ATOM 0 H ILE A 83 116.117 2.924 13.204 1.00 0.00 H new ATOM 0 HA ILE A 83 114.300 2.217 15.313 1.00 0.00 H new ATOM 0 HB ILE A 83 113.845 2.685 12.339 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.448 4.458 14.779 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.731 4.625 13.597 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.462 2.942 12.934 1.00 0.00 H new ATOM 0 HG22 ILE A 83 112.051 1.299 13.281 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.830 2.464 14.608 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.958 6.256 13.203 1.00 0.00 H new ATOM 0 HD12 ILE A 83 113.070 5.113 11.843 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.767 4.943 13.043 1.00 0.00 H new ATOM 1326 N PHE A 84 114.847 0.147 12.822 1.00 0.00 N ATOM 1327 CA PHE A 84 114.754 -1.191 12.304 1.00 0.00 C ATOM 1328 C PHE A 84 115.492 -2.203 13.158 1.00 0.00 C ATOM 1329 O PHE A 84 115.010 -3.308 13.376 1.00 0.00 O ATOM 1330 CB PHE A 84 115.271 -1.210 10.874 1.00 0.00 C ATOM 1331 CG PHE A 84 114.250 -0.852 9.826 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.607 0.371 9.839 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.932 -1.750 8.831 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.675 0.683 8.877 1.00 0.00 C ATOM 1335 CE2 PHE A 84 113.002 -1.447 7.866 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.373 -0.232 7.886 1.00 0.00 C ATOM 0 H PHE A 84 115.322 0.792 12.190 1.00 0.00 H new ATOM 0 HA PHE A 84 113.705 -1.486 12.324 1.00 0.00 H new ATOM 0 HB2 PHE A 84 116.108 -0.517 10.797 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.660 -2.205 10.657 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.839 1.089 10.612 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.423 -2.711 8.809 1.00 0.00 H new ATOM 0 HE1 PHE A 84 112.179 1.642 8.896 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.768 -2.165 7.094 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.642 0.012 7.129 1.00 0.00 H new ATOM 1346 N GLN A 85 116.632 -1.819 13.656 1.00 0.00 N ATOM 1347 CA GLN A 85 117.428 -2.715 14.437 1.00 0.00 C ATOM 1348 C GLN A 85 117.044 -2.741 15.908 1.00 0.00 C ATOM 1349 O GLN A 85 117.354 -3.692 16.599 1.00 0.00 O ATOM 1350 CB GLN A 85 118.914 -2.465 14.201 1.00 0.00 C ATOM 1351 CG GLN A 85 119.302 -2.710 12.762 1.00 0.00 C ATOM 1352 CD GLN A 85 119.014 -4.125 12.333 1.00 0.00 C ATOM 1353 OE1 GLN A 85 117.926 -4.447 11.895 1.00 0.00 O ATOM 1354 NE2 GLN A 85 119.978 -4.971 12.439 1.00 0.00 N ATOM 0 H GLN A 85 117.030 -0.888 13.533 1.00 0.00 H new ATOM 0 HA GLN A 85 117.212 -3.725 14.089 1.00 0.00 H new ATOM 0 HB2 GLN A 85 119.158 -1.438 14.473 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.500 -3.115 14.851 1.00 0.00 H new ATOM 0 HG2 GLN A 85 118.760 -2.018 12.117 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.364 -2.501 12.632 1.00 0.00 H new ATOM 0 HE21 GLN A 85 120.880 -4.672 12.810 1.00 0.00 H new ATOM 0 HE22 GLN A 85 119.840 -5.940 12.152 1.00 0.00 H new ATOM 1363 N SER A 86 116.361 -1.713 16.395 1.00 0.00 N ATOM 1364 CA SER A 86 115.905 -1.740 17.780 1.00 0.00 C ATOM 1365 C SER A 86 114.449 -2.225 17.877 1.00 0.00 C ATOM 1366 O SER A 86 113.830 -2.170 18.948 1.00 0.00 O ATOM 1367 CB SER A 86 116.098 -0.392 18.456 1.00 0.00 C ATOM 1368 OG SER A 86 117.482 -0.009 18.433 1.00 0.00 O ATOM 0 H SER A 86 116.116 -0.873 15.871 1.00 0.00 H new ATOM 0 HA SER A 86 116.523 -2.459 18.318 1.00 0.00 H new ATOM 0 HB2 SER A 86 115.497 0.364 17.950 1.00 0.00 H new ATOM 0 HB3 SER A 86 115.746 -0.442 19.486 1.00 0.00 H new ATOM 0 HG SER A 86 117.660 0.525 17.631 1.00 0.00 H new ATOM 1374 N ILE A 87 113.905 -2.624 16.738 1.00 0.00 N ATOM 1375 CA ILE A 87 112.631 -3.294 16.636 1.00 0.00 C ATOM 1376 C ILE A 87 112.491 -4.493 17.650 1.00 0.00 C ATOM 1377 O ILE A 87 113.468 -5.169 17.972 1.00 0.00 O ATOM 1378 CB ILE A 87 112.453 -3.814 15.172 1.00 0.00 C ATOM 1379 CG1 ILE A 87 111.891 -2.748 14.237 1.00 0.00 C ATOM 1380 CG2 ILE A 87 111.666 -5.062 15.078 1.00 0.00 C ATOM 1381 CD1 ILE A 87 111.460 -3.308 12.883 1.00 0.00 C ATOM 0 H ILE A 87 114.357 -2.483 15.835 1.00 0.00 H new ATOM 0 HA ILE A 87 111.853 -2.575 16.890 1.00 0.00 H new ATOM 0 HB ILE A 87 113.463 -4.054 14.839 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.036 -2.268 14.714 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.644 -1.976 14.081 1.00 0.00 H new ATOM 0 HG21 ILE A 87 111.584 -5.363 14.033 1.00 0.00 H new ATOM 0 HG22 ILE A 87 112.164 -5.849 15.644 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.669 -4.895 15.487 1.00 0.00 H new ATOM 0 HD11 ILE A 87 111.069 -2.501 12.263 1.00 0.00 H new ATOM 0 HD12 ILE A 87 112.318 -3.763 12.388 1.00 0.00 H new ATOM 0 HD13 ILE A 87 110.685 -4.060 13.030 1.00 0.00 H new ATOM 1393 N PRO A 88 111.258 -4.748 18.149 1.00 0.00 N ATOM 1394 CA PRO A 88 110.973 -5.862 19.041 1.00 0.00 C ATOM 1395 C PRO A 88 110.473 -7.100 18.258 1.00 0.00 C ATOM 1396 O PRO A 88 109.899 -6.992 17.160 1.00 0.00 O ATOM 1397 CB PRO A 88 109.845 -5.295 19.916 1.00 0.00 C ATOM 1398 CG PRO A 88 109.172 -4.230 19.085 1.00 0.00 C ATOM 1399 CD PRO A 88 110.036 -3.984 17.867 1.00 0.00 C ATOM 0 HA PRO A 88 111.846 -6.201 19.598 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.138 -6.076 20.197 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.241 -4.876 20.841 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.174 -4.551 18.787 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.053 -3.313 19.662 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.550 -4.329 16.954 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.248 -2.923 17.734 1.00 0.00 H new ATOM 1407 N ILE A 89 110.753 -8.255 18.799 1.00 0.00 N ATOM 1408 CA ILE A 89 110.328 -9.534 18.238 1.00 0.00 C ATOM 1409 C ILE A 89 108.800 -9.665 18.370 1.00 0.00 C ATOM 1410 O ILE A 89 108.228 -9.204 19.366 1.00 0.00 O ATOM 1411 CB ILE A 89 110.964 -10.701 19.036 1.00 0.00 C ATOM 1412 CG1 ILE A 89 112.459 -10.471 19.244 1.00 0.00 C ATOM 1413 CG2 ILE A 89 110.721 -12.033 18.339 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.122 -11.488 20.129 1.00 0.00 C ATOM 0 H ILE A 89 111.293 -8.348 19.659 1.00 0.00 H new ATOM 0 HA ILE A 89 110.637 -9.575 17.193 1.00 0.00 H new ATOM 0 HB ILE A 89 110.485 -10.735 20.015 1.00 0.00 H new ATOM 0 HG12 ILE A 89 112.954 -10.473 18.273 1.00 0.00 H new ATOM 0 HG13 ILE A 89 112.606 -9.480 19.674 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.177 -12.836 18.919 1.00 0.00 H new ATOM 0 HG22 ILE A 89 109.649 -12.210 18.256 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.163 -12.008 17.343 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.182 -11.252 20.224 1.00 0.00 H new ATOM 0 HD12 ILE A 89 112.656 -11.472 21.114 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.010 -12.480 19.691 1.00 0.00 H new ATOM 1426 N GLY A 90 108.151 -10.263 17.379 1.00 0.00 N ATOM 1427 CA GLY A 90 106.725 -10.498 17.472 1.00 0.00 C ATOM 1428 C GLY A 90 105.942 -9.314 16.996 1.00 0.00 C ATOM 1429 O GLY A 90 104.722 -9.236 17.182 1.00 0.00 O ATOM 0 H GLY A 90 108.586 -10.588 16.516 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.460 -11.373 16.879 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.458 -10.720 18.505 1.00 0.00 H new ATOM 1433 N ALA A 91 106.629 -8.399 16.364 1.00 0.00 N ATOM 1434 CA ALA A 91 106.025 -7.127 16.016 1.00 0.00 C ATOM 1435 C ALA A 91 105.494 -7.139 14.584 1.00 0.00 C ATOM 1436 O ALA A 91 105.581 -8.143 13.891 1.00 0.00 O ATOM 1437 CB ALA A 91 107.007 -5.979 16.264 1.00 0.00 C ATOM 0 H ALA A 91 107.603 -8.504 16.078 1.00 0.00 H new ATOM 0 HA ALA A 91 105.165 -6.964 16.665 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.536 -5.033 15.997 1.00 0.00 H new ATOM 0 HB2 ALA A 91 107.287 -5.961 17.317 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.899 -6.125 15.654 1.00 0.00 H new ATOM 1443 N SER A 92 104.993 -6.020 14.134 1.00 0.00 N ATOM 1444 CA SER A 92 104.332 -5.934 12.840 1.00 0.00 C ATOM 1445 C SER A 92 104.554 -4.591 12.203 1.00 0.00 C ATOM 1446 O SER A 92 104.650 -3.580 12.896 1.00 0.00 O ATOM 1447 CB SER A 92 102.838 -6.190 13.019 1.00 0.00 C ATOM 1448 OG SER A 92 102.112 -5.946 11.836 1.00 0.00 O ATOM 0 H SER A 92 105.026 -5.138 14.646 1.00 0.00 H new ATOM 0 HA SER A 92 104.759 -6.689 12.180 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.683 -7.222 13.332 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.455 -5.554 13.817 1.00 0.00 H new ATOM 0 HG SER A 92 101.161 -6.123 11.993 1.00 0.00 H new ATOM 1454 N VAL A 93 104.717 -4.611 10.896 1.00 0.00 N ATOM 1455 CA VAL A 93 104.841 -3.415 10.082 1.00 0.00 C ATOM 1456 C VAL A 93 104.353 -3.658 8.702 1.00 0.00 C ATOM 1457 O VAL A 93 104.514 -4.732 8.165 1.00 0.00 O ATOM 1458 CB VAL A 93 106.273 -2.843 9.949 1.00 0.00 C ATOM 1459 CG1 VAL A 93 106.759 -2.116 11.180 1.00 0.00 C ATOM 1460 CG2 VAL A 93 107.255 -3.896 9.489 1.00 0.00 C ATOM 0 H VAL A 93 104.768 -5.476 10.357 1.00 0.00 H new ATOM 0 HA VAL A 93 104.237 -2.685 10.620 1.00 0.00 H new ATOM 0 HB VAL A 93 106.213 -2.081 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 93 107.769 -1.745 11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 93 106.096 -1.278 11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 93 106.763 -2.800 12.029 1.00 0.00 H new ATOM 0 HG21 VAL A 93 108.249 -3.456 9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 93 107.278 -4.712 10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.948 -4.280 8.516 1.00 0.00 H new ATOM 1470 N ASP A 94 103.759 -2.662 8.164 1.00 0.00 N ATOM 1471 CA ASP A 94 103.333 -2.640 6.807 1.00 0.00 C ATOM 1472 C ASP A 94 104.368 -1.916 5.988 1.00 0.00 C ATOM 1473 O ASP A 94 104.632 -0.735 6.212 1.00 0.00 O ATOM 1474 CB ASP A 94 102.013 -1.912 6.684 1.00 0.00 C ATOM 1475 CG ASP A 94 100.814 -2.699 7.127 1.00 0.00 C ATOM 1476 OD1 ASP A 94 100.552 -2.765 8.332 1.00 0.00 O ATOM 1477 OD2 ASP A 94 100.069 -3.219 6.265 1.00 0.00 O ATOM 0 H ASP A 94 103.545 -1.803 8.671 1.00 0.00 H new ATOM 0 HA ASP A 94 103.210 -3.663 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 94 102.064 -0.995 7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.872 -1.618 5.644 1.00 0.00 H new ATOM 1482 N LEU A 95 104.945 -2.607 5.074 1.00 0.00 N ATOM 1483 CA LEU A 95 105.946 -2.046 4.182 1.00 0.00 C ATOM 1484 C LEU A 95 105.294 -1.495 2.933 1.00 0.00 C ATOM 1485 O LEU A 95 104.591 -2.217 2.217 1.00 0.00 O ATOM 1486 CB LEU A 95 106.999 -3.098 3.700 1.00 0.00 C ATOM 1487 CG LEU A 95 108.016 -3.685 4.694 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.720 -2.619 5.472 1.00 0.00 C ATOM 1489 CD2 LEU A 95 107.423 -4.732 5.602 1.00 0.00 C ATOM 0 H LEU A 95 104.747 -3.593 4.906 1.00 0.00 H new ATOM 0 HA LEU A 95 106.445 -1.270 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.447 -3.934 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 95 107.566 -2.640 2.890 1.00 0.00 H new ATOM 0 HG LEU A 95 108.762 -4.196 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.428 -3.079 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 95 109.255 -1.962 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 95 107.990 -2.038 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 95 108.192 -5.105 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 95 106.612 -4.293 6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 95 107.036 -5.556 5.003 1.00 0.00 H new ATOM 1501 N GLU A 96 105.506 -0.224 2.690 1.00 0.00 N ATOM 1502 CA GLU A 96 105.131 0.392 1.440 1.00 0.00 C ATOM 1503 C GLU A 96 106.328 0.269 0.550 1.00 0.00 C ATOM 1504 O GLU A 96 107.350 0.918 0.801 1.00 0.00 O ATOM 1505 CB GLU A 96 104.791 1.882 1.606 1.00 0.00 C ATOM 1506 CG GLU A 96 103.497 2.177 2.327 1.00 0.00 C ATOM 1507 CD GLU A 96 103.205 3.659 2.390 1.00 0.00 C ATOM 1508 OE1 GLU A 96 103.259 4.337 1.350 1.00 0.00 O ATOM 1509 OE2 GLU A 96 102.935 4.182 3.496 1.00 0.00 O ATOM 0 H GLU A 96 105.944 0.414 3.355 1.00 0.00 H new ATOM 0 HA GLU A 96 104.243 -0.095 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 96 105.606 2.365 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 96 104.748 2.339 0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 96 102.677 1.668 1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.547 1.775 3.339 1.00 0.00 H new ATOM 1516 N LEU A 97 106.259 -0.575 -0.432 1.00 0.00 N ATOM 1517 CA LEU A 97 107.400 -0.796 -1.271 1.00 0.00 C ATOM 1518 C LEU A 97 106.989 -0.970 -2.708 1.00 0.00 C ATOM 1519 O LEU A 97 105.890 -1.439 -3.003 1.00 0.00 O ATOM 1520 CB LEU A 97 108.291 -1.975 -0.749 1.00 0.00 C ATOM 1521 CG LEU A 97 107.799 -3.450 -0.848 1.00 0.00 C ATOM 1522 CD1 LEU A 97 108.784 -4.327 -0.122 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.430 -3.653 -0.231 1.00 0.00 C ATOM 0 H LEU A 97 105.431 -1.120 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 97 108.025 0.096 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.241 -1.918 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.501 -1.777 0.302 1.00 0.00 H new ATOM 0 HG LEU A 97 107.725 -3.705 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.458 -5.365 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 97 109.767 -4.229 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.842 -4.022 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.138 -4.699 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.463 -3.383 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.703 -3.024 -0.744 1.00 0.00 H new ATOM 1535 N CYS A 98 107.830 -0.542 -3.588 1.00 0.00 N ATOM 1536 CA CYS A 98 107.569 -0.657 -4.982 1.00 0.00 C ATOM 1537 C CYS A 98 108.419 -1.768 -5.576 1.00 0.00 C ATOM 1538 O CYS A 98 109.603 -1.913 -5.241 1.00 0.00 O ATOM 1539 CB CYS A 98 107.804 0.682 -5.690 1.00 0.00 C ATOM 1540 SG CYS A 98 106.768 2.032 -5.053 1.00 0.00 S ATOM 0 H CYS A 98 108.721 -0.101 -3.359 1.00 0.00 H new ATOM 0 HA CYS A 98 106.521 -0.918 -5.130 1.00 0.00 H new ATOM 0 HB2 CYS A 98 108.853 0.960 -5.586 1.00 0.00 H new ATOM 0 HB3 CYS A 98 107.611 0.559 -6.756 1.00 0.00 H new ATOM 0 HG CYS A 98 105.714 1.535 -4.477 1.00 0.00 H new ATOM 1546 N ARG A 99 107.811 -2.554 -6.410 1.00 0.00 N ATOM 1547 CA ARG A 99 108.458 -3.660 -7.059 1.00 0.00 C ATOM 1548 C ARG A 99 108.505 -3.343 -8.547 1.00 0.00 C ATOM 1549 O ARG A 99 107.631 -2.647 -9.050 1.00 0.00 O ATOM 1550 CB ARG A 99 107.652 -4.949 -6.801 1.00 0.00 C ATOM 1551 CG ARG A 99 108.215 -6.198 -7.434 1.00 0.00 C ATOM 1552 CD ARG A 99 109.440 -6.690 -6.706 1.00 0.00 C ATOM 1553 NE ARG A 99 109.106 -7.294 -5.434 1.00 0.00 N ATOM 1554 CZ ARG A 99 108.800 -8.564 -5.232 1.00 0.00 C ATOM 1555 NH1 ARG A 99 108.871 -9.449 -6.218 1.00 0.00 N ATOM 1556 NH2 ARG A 99 108.485 -8.951 -4.017 1.00 0.00 N ATOM 0 H ARG A 99 106.830 -2.445 -6.666 1.00 0.00 H new ATOM 0 HA ARG A 99 109.467 -3.812 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 99 107.584 -5.106 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 99 106.636 -4.802 -7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.455 -6.979 -7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.467 -5.996 -8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 99 109.964 -7.417 -7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 99 110.125 -5.858 -6.544 1.00 0.00 H new ATOM 0 HE ARG A 99 109.107 -6.683 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 99 109.165 -9.153 -7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 99 108.631 -10.425 -6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.480 -8.276 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 99 108.245 -9.926 -3.838 1.00 0.00 H new ATOM 1570 N GLY A 100 109.499 -3.832 -9.231 1.00 0.00 N ATOM 1571 CA GLY A 100 109.639 -3.557 -10.642 1.00 0.00 C ATOM 1572 C GLY A 100 111.002 -2.994 -10.949 1.00 0.00 C ATOM 1573 O GLY A 100 111.293 -2.618 -12.070 1.00 0.00 O ATOM 0 H GLY A 100 110.229 -4.426 -8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 100 109.483 -4.473 -11.212 1.00 0.00 H new ATOM 0 HA3 GLY A 100 108.871 -2.851 -10.957 1.00 0.00 H new ATOM 1577 N TYR A 101 111.825 -2.929 -9.943 1.00 0.00 N ATOM 1578 CA TYR A 101 113.173 -2.434 -10.068 1.00 0.00 C ATOM 1579 C TYR A 101 114.178 -3.550 -9.977 1.00 0.00 C ATOM 1580 O TYR A 101 113.982 -4.517 -9.241 1.00 0.00 O ATOM 1581 CB TYR A 101 113.480 -1.416 -8.985 1.00 0.00 C ATOM 1582 CG TYR A 101 112.847 -0.090 -9.215 1.00 0.00 C ATOM 1583 CD1 TYR A 101 113.470 0.847 -10.023 1.00 0.00 C ATOM 1584 CD2 TYR A 101 111.646 0.239 -8.631 1.00 0.00 C ATOM 1585 CE1 TYR A 101 112.911 2.075 -10.237 1.00 0.00 C ATOM 1586 CE2 TYR A 101 111.078 1.463 -8.841 1.00 0.00 C ATOM 1587 CZ TYR A 101 111.714 2.377 -9.647 1.00 0.00 C ATOM 1588 OH TYR A 101 111.159 3.605 -9.844 1.00 0.00 O ATOM 0 H TYR A 101 111.579 -3.222 -8.997 1.00 0.00 H new ATOM 0 HA TYR A 101 113.247 -1.962 -11.048 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.144 -1.808 -8.025 1.00 0.00 H new ATOM 0 HB3 TYR A 101 114.560 -1.286 -8.916 1.00 0.00 H new ATOM 0 HD1 TYR A 101 114.412 0.603 -10.491 1.00 0.00 H new ATOM 0 HD2 TYR A 101 111.146 -0.480 -7.999 1.00 0.00 H new ATOM 0 HE1 TYR A 101 113.408 2.799 -10.865 1.00 0.00 H new ATOM 0 HE2 TYR A 101 110.135 1.711 -8.377 1.00 0.00 H new ATOM 0 HH TYR A 101 111.423 3.946 -10.724 1.00 0.00 H new ATOM 2091 N GLU B 158 124.367 0.212 3.140 1.00 0.00 N ATOM 2092 CA GLU B 158 123.934 -1.143 3.234 1.00 0.00 C ATOM 2093 C GLU B 158 123.392 -1.396 4.637 1.00 0.00 C ATOM 2094 O GLU B 158 124.128 -1.841 5.528 1.00 0.00 O ATOM 2095 CB GLU B 158 125.121 -2.099 2.967 1.00 0.00 C ATOM 2096 CG GLU B 158 126.196 -1.550 2.017 1.00 0.00 C ATOM 2097 CD GLU B 158 127.291 -0.745 2.736 1.00 0.00 C ATOM 2098 OE1 GLU B 158 126.987 0.206 3.522 1.00 0.00 O ATOM 2099 OE2 GLU B 158 128.478 -1.089 2.569 1.00 0.00 O ATOM 0 HA GLU B 158 123.156 -1.324 2.493 1.00 0.00 H new ATOM 0 HB2 GLU B 158 125.591 -2.345 3.919 1.00 0.00 H new ATOM 0 HB3 GLU B 158 124.733 -3.029 2.553 1.00 0.00 H new ATOM 0 HG2 GLU B 158 126.657 -2.381 1.483 1.00 0.00 H new ATOM 0 HG3 GLU B 158 125.720 -0.915 1.269 1.00 0.00 H new ATOM 2106 N THR B 159 122.142 -1.092 4.846 1.00 0.00 N ATOM 2107 CA THR B 159 121.527 -1.304 6.138 1.00 0.00 C ATOM 2108 C THR B 159 121.121 -2.777 6.239 1.00 0.00 C ATOM 2109 O THR B 159 120.507 -3.322 5.320 1.00 0.00 O ATOM 2110 CB THR B 159 120.270 -0.393 6.323 1.00 0.00 C ATOM 2111 OG1 THR B 159 120.601 0.969 5.943 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.768 -0.410 7.793 1.00 0.00 C ATOM 0 H THR B 159 121.522 -0.695 4.140 1.00 0.00 H new ATOM 0 HA THR B 159 122.239 -1.047 6.922 1.00 0.00 H new ATOM 0 HB THR B 159 119.474 -0.780 5.687 1.00 0.00 H new ATOM 0 HG1 THR B 159 121.224 1.349 6.597 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.893 0.234 7.886 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.501 -1.429 8.074 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.557 -0.047 8.451 1.00 0.00 H new ATOM 2120 N GLN B 160 121.517 -3.430 7.289 1.00 0.00 N ATOM 2121 CA GLN B 160 121.123 -4.798 7.497 1.00 0.00 C ATOM 2122 C GLN B 160 119.971 -4.789 8.440 1.00 0.00 C ATOM 2123 O GLN B 160 120.085 -4.190 9.505 1.00 0.00 O ATOM 2124 CB GLN B 160 122.261 -5.622 8.090 1.00 0.00 C ATOM 2125 CG GLN B 160 123.500 -5.711 7.230 1.00 0.00 C ATOM 2126 CD GLN B 160 124.554 -6.579 7.865 1.00 0.00 C ATOM 2127 OE1 GLN B 160 125.413 -6.104 8.601 1.00 0.00 O ATOM 2128 NE2 GLN B 160 124.506 -7.850 7.587 1.00 0.00 N ATOM 0 H GLN B 160 122.114 -3.041 8.019 1.00 0.00 H new ATOM 0 HA GLN B 160 120.855 -5.251 6.542 1.00 0.00 H new ATOM 0 HB2 GLN B 160 122.536 -5.193 9.054 1.00 0.00 H new ATOM 0 HB3 GLN B 160 121.897 -6.631 8.282 1.00 0.00 H new ATOM 0 HG2 GLN B 160 123.237 -6.114 6.252 1.00 0.00 H new ATOM 0 HG3 GLN B 160 123.902 -4.711 7.065 1.00 0.00 H new ATOM 0 HE21 GLN B 160 123.777 -8.210 6.971 1.00 0.00 H new ATOM 0 HE22 GLN B 160 125.197 -8.486 7.985 1.00 0.00 H new ATOM 2137 N VAL B 161 118.866 -5.388 8.059 1.00 0.00 N ATOM 2138 CA VAL B 161 117.699 -5.400 8.896 1.00 0.00 C ATOM 2139 C VAL B 161 117.214 -6.826 9.028 1.00 0.00 C ATOM 2140 O VAL B 161 116.625 -7.193 10.055 1.00 0.00 O ATOM 2141 CB VAL B 161 116.543 -4.474 8.377 1.00 0.00 C ATOM 2142 CG1 VAL B 161 117.023 -3.085 8.095 1.00 0.00 C ATOM 2143 CG2 VAL B 161 115.867 -5.003 7.154 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.491 -7.624 8.112 1.00 0.00 O ATOM 0 H VAL B 161 118.756 -5.874 7.169 1.00 0.00 H new ATOM 0 HA VAL B 161 117.986 -4.995 9.866 1.00 0.00 H new ATOM 0 HB VAL B 161 115.816 -4.455 9.189 1.00 0.00 H new ATOM 0 HG11 VAL B 161 116.191 -2.478 7.738 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.426 -2.647 9.008 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.802 -3.117 7.333 1.00 0.00 H new ATOM 0 HG21 VAL B 161 115.078 -4.316 6.848 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.596 -5.101 6.349 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.433 -5.979 7.371 1.00 0.00 H new