USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 741 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 83 ASN : amide:sc= -1.1 K(o=0.17,f=-6.8!) USER MOD Set 1.2: A 103 THR OG1 : rot 125:sc= 1.27 USER MOD Set 2.1: A 48 SER OG : rot 68:sc= 1.04 USER MOD Set 2.2: A 50 ASN : amide:sc=-0.00196 X(o=2,f=1.8) USER MOD Set 2.3: A 53 LYS NZ :NH3+ -132:sc= 0.931 (180deg=0.0168) USER MOD Single : A 14 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.03) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 152:sc= -0.184 (180deg=-0.445) USER MOD Single : A 22 GLN : amide:sc= -0.965! X(o=-0.97!,f=-0.97) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.322 K(o=-0.32,f=-3.2!) USER MOD Single : A 65 SER OG : rot 150:sc= 0.0016 USER MOD Single : A 74 LYS NZ :NH3+ 153:sc= -0.622 (180deg=-1.4!) USER MOD Single : A 76 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.9) USER MOD Single : A 78 GLN : amide:sc= -4.78! C(o=-4.8!,f=-7.3!) USER MOD Single : A 84 HIS : no HD1:sc= -0.0871 X(o=-0.087,f=-0.21) USER MOD Single : A 85 THR OG1 : rot -9:sc= 1.01 USER MOD Single : A 89 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4!) USER MOD Single : A 90 ASN : amide:sc= -0.0343 K(o=-0.034,f=-0.61) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -2.43 F(o=-3.8!,f=-2.4) USER MOD Single : A 94 GLN : amide:sc= -0.0926 K(o=-0.093,f=-1.2!) USER MOD Single : A 95 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 101 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.33) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.121 F(o=-1.8!,f=-0.12) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N ASP A 12 3.978 -12.549 -12.696 1.00 0.00 N ATOM 122 CA ASP A 12 3.483 -11.328 -13.321 1.00 0.00 C ATOM 123 C ASP A 12 2.912 -10.376 -12.275 1.00 0.00 C ATOM 124 O ASP A 12 2.392 -10.807 -11.245 1.00 0.00 O ATOM 125 CB ASP A 12 2.414 -11.661 -14.363 1.00 0.00 C ATOM 126 CG ASP A 12 1.023 -11.728 -13.765 1.00 0.00 C ATOM 127 OD1 ASP A 12 0.538 -10.689 -13.270 1.00 0.00 O ATOM 128 OD2 ASP A 12 0.418 -12.821 -13.792 1.00 0.00 O ATOM 0 HA ASP A 12 4.321 -10.836 -13.815 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.432 -10.908 -15.151 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.652 -12.617 -14.830 1.00 0.00 H new ATOM 133 N PHE A 13 3.013 -9.079 -12.545 1.00 0.00 N ATOM 134 CA PHE A 13 2.508 -8.065 -11.627 1.00 0.00 C ATOM 135 C PHE A 13 1.244 -8.549 -10.923 1.00 0.00 C ATOM 136 O PHE A 13 1.207 -8.662 -9.698 1.00 0.00 O ATOM 137 CB PHE A 13 2.220 -6.763 -12.378 1.00 0.00 C ATOM 138 CG PHE A 13 1.685 -5.669 -11.499 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.139 -5.522 -10.199 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.726 -4.788 -11.973 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.649 -4.517 -9.387 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.232 -3.781 -11.167 1.00 0.00 C ATOM 143 CZ PHE A 13 0.693 -3.645 -9.872 1.00 0.00 C ATOM 0 H PHE A 13 3.440 -8.705 -13.392 1.00 0.00 H new ATOM 0 HA PHE A 13 3.274 -7.880 -10.874 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.137 -6.418 -12.856 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.502 -6.963 -13.173 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.885 -6.201 -9.815 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.361 -4.890 -12.984 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.012 -4.413 -8.375 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.514 -3.100 -11.549 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.307 -2.859 -9.240 1.00 0.00 H new ATOM 153 N ASN A 14 0.209 -8.834 -11.707 1.00 0.00 N ATOM 154 CA ASN A 14 -1.058 -9.305 -11.159 1.00 0.00 C ATOM 155 C ASN A 14 -0.846 -10.529 -10.273 1.00 0.00 C ATOM 156 O ASN A 14 -1.514 -10.692 -9.253 1.00 0.00 O ATOM 157 CB ASN A 14 -2.031 -9.642 -12.290 1.00 0.00 C ATOM 158 CG ASN A 14 -2.330 -8.446 -13.173 1.00 0.00 C ATOM 159 OD1 ASN A 14 -3.103 -7.563 -12.801 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.715 -8.411 -14.350 1.00 0.00 N ATOM 0 H ASN A 14 0.223 -8.747 -12.723 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.482 -8.507 -10.549 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.612 -10.444 -12.899 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.962 -10.018 -11.865 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.876 -7.630 -14.986 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.082 -9.165 -14.617 1.00 0.00 H new ATOM 167 N SER A 15 0.089 -11.386 -10.671 1.00 0.00 N ATOM 168 CA SER A 15 0.387 -12.597 -9.916 1.00 0.00 C ATOM 169 C SER A 15 1.046 -12.257 -8.582 1.00 0.00 C ATOM 170 O SER A 15 0.558 -12.640 -7.519 1.00 0.00 O ATOM 171 CB SER A 15 1.299 -13.519 -10.728 1.00 0.00 C ATOM 172 OG SER A 15 1.121 -14.873 -10.351 1.00 0.00 O ATOM 0 H SER A 15 0.653 -11.264 -11.512 1.00 0.00 H new ATOM 0 HA SER A 15 -0.553 -13.112 -9.717 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.086 -13.403 -11.791 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.339 -13.230 -10.578 1.00 0.00 H new ATOM 0 HG SER A 15 1.714 -15.442 -10.885 1.00 0.00 H new ATOM 178 N VAL A 16 2.160 -11.534 -8.647 1.00 0.00 N ATOM 179 CA VAL A 16 2.887 -11.140 -7.446 1.00 0.00 C ATOM 180 C VAL A 16 1.970 -10.427 -6.458 1.00 0.00 C ATOM 181 O VAL A 16 2.022 -10.681 -5.254 1.00 0.00 O ATOM 182 CB VAL A 16 4.074 -10.219 -7.785 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.632 -9.099 -8.715 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.690 -9.655 -6.514 1.00 0.00 C ATOM 0 H VAL A 16 2.578 -11.209 -9.519 1.00 0.00 H new ATOM 0 HA VAL A 16 3.266 -12.055 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 16 4.833 -10.808 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.484 -8.458 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.241 -9.526 -9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.854 -8.509 -8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.527 -9.007 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.940 -9.080 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.045 -10.473 -5.887 1.00 0.00 H new ATOM 194 N ILE A 17 1.132 -9.535 -6.975 1.00 0.00 N ATOM 195 CA ILE A 17 0.203 -8.786 -6.138 1.00 0.00 C ATOM 196 C ILE A 17 -0.822 -9.712 -5.490 1.00 0.00 C ATOM 197 O ILE A 17 -1.030 -9.671 -4.278 1.00 0.00 O ATOM 198 CB ILE A 17 -0.538 -7.705 -6.947 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.427 -6.587 -7.347 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.701 -7.145 -6.142 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.145 -5.959 -6.174 1.00 0.00 C ATOM 0 H ILE A 17 1.077 -9.313 -7.969 1.00 0.00 H new ATOM 0 HA ILE A 17 0.796 -8.304 -5.361 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.935 -8.159 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.165 -6.987 -8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.127 -5.814 -7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.215 -6.382 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.397 -7.948 -5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.325 -6.703 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.812 -5.175 -6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.415 -5.529 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.727 -6.720 -5.654 1.00 0.00 H new ATOM 213 N GLN A 18 -1.456 -10.547 -6.307 1.00 0.00 N ATOM 214 CA GLN A 18 -2.459 -11.483 -5.813 1.00 0.00 C ATOM 215 C GLN A 18 -1.865 -12.408 -4.756 1.00 0.00 C ATOM 216 O GLN A 18 -2.580 -12.924 -3.898 1.00 0.00 O ATOM 217 CB GLN A 18 -3.029 -12.309 -6.968 1.00 0.00 C ATOM 218 CG GLN A 18 -3.807 -11.484 -7.979 1.00 0.00 C ATOM 219 CD GLN A 18 -5.275 -11.357 -7.623 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.972 -12.358 -7.449 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.754 -10.124 -7.512 1.00 0.00 N ATOM 0 H GLN A 18 -1.293 -10.594 -7.313 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.264 -10.907 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.211 -12.817 -7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.682 -13.082 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.366 -10.489 -8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.714 -11.942 -8.964 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.141 -9.323 -7.665 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.735 -9.977 -7.274 1.00 0.00 H new ATOM 230 N GLN A 19 -0.553 -12.613 -4.825 1.00 0.00 N ATOM 231 CA GLN A 19 0.136 -13.477 -3.874 1.00 0.00 C ATOM 232 C GLN A 19 0.366 -12.755 -2.550 1.00 0.00 C ATOM 233 O GLN A 19 0.238 -13.347 -1.479 1.00 0.00 O ATOM 234 CB GLN A 19 1.472 -13.945 -4.453 1.00 0.00 C ATOM 235 CG GLN A 19 1.342 -15.110 -5.420 1.00 0.00 C ATOM 236 CD GLN A 19 2.575 -15.992 -5.441 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.536 -15.718 -6.161 1.00 0.00 O ATOM 238 NE2 GLN A 19 2.555 -17.058 -4.649 1.00 0.00 N ATOM 0 H GLN A 19 0.053 -12.193 -5.529 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.495 -14.346 -3.688 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.949 -13.110 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.131 -14.235 -3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.475 -15.711 -5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.158 -14.726 -6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.738 -17.247 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.357 -17.688 -4.621 1.00 0.00 H new ATOM 247 N MET A 20 0.706 -11.473 -2.633 1.00 0.00 N ATOM 248 CA MET A 20 0.954 -10.671 -1.441 1.00 0.00 C ATOM 249 C MET A 20 -0.352 -10.356 -0.717 1.00 0.00 C ATOM 250 O MET A 20 -0.390 -10.288 0.511 1.00 0.00 O ATOM 251 CB MET A 20 1.669 -9.371 -1.814 1.00 0.00 C ATOM 252 CG MET A 20 2.946 -9.588 -2.611 1.00 0.00 C ATOM 253 SD MET A 20 3.336 -8.196 -3.689 1.00 0.00 S ATOM 254 CE MET A 20 3.997 -7.026 -2.504 1.00 0.00 C ATOM 0 H MET A 20 0.816 -10.968 -3.512 1.00 0.00 H new ATOM 0 HA MET A 20 1.591 -11.248 -0.771 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.990 -8.746 -2.394 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.908 -8.823 -0.903 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.775 -9.754 -1.923 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.845 -10.491 -3.212 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.709 -6.368 -3.001 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.184 -6.432 -2.087 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.501 -7.566 -1.702 1.00 0.00 H new ATOM 264 N ALA A 21 -1.418 -10.164 -1.486 1.00 0.00 N ATOM 265 CA ALA A 21 -2.725 -9.858 -0.917 1.00 0.00 C ATOM 266 C ALA A 21 -3.384 -11.112 -0.350 1.00 0.00 C ATOM 267 O ALA A 21 -4.101 -11.049 0.648 1.00 0.00 O ATOM 268 CB ALA A 21 -3.621 -9.218 -1.967 1.00 0.00 C ATOM 0 H ALA A 21 -1.403 -10.215 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.581 -9.152 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.594 -8.995 -1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.163 -8.295 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.749 -9.905 -2.803 1.00 0.00 H new ATOM 274 N GLN A 22 -3.137 -12.247 -0.995 1.00 0.00 N ATOM 275 CA GLN A 22 -3.708 -13.515 -0.554 1.00 0.00 C ATOM 276 C GLN A 22 -5.231 -13.478 -0.622 1.00 0.00 C ATOM 277 O GLN A 22 -5.914 -13.904 0.308 1.00 0.00 O ATOM 278 CB GLN A 22 -3.256 -13.834 0.872 1.00 0.00 C ATOM 279 CG GLN A 22 -1.748 -13.791 1.057 1.00 0.00 C ATOM 280 CD GLN A 22 -1.085 -15.119 0.750 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.796 -15.905 1.653 1.00 0.00 O ATOM 282 NE2 GLN A 22 -0.840 -15.378 -0.529 1.00 0.00 N ATOM 0 H GLN A 22 -2.546 -12.315 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.352 -14.298 -1.223 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.718 -13.124 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.619 -14.825 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.328 -13.021 0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.520 -13.504 2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.096 -14.698 -1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.396 -16.257 -0.795 1.00 0.00 H new ATOM 291 N GLY A 23 -5.757 -12.965 -1.730 1.00 0.00 N ATOM 292 CA GLY A 23 -7.196 -12.882 -1.899 1.00 0.00 C ATOM 293 C GLY A 23 -7.769 -11.588 -1.355 1.00 0.00 C ATOM 294 O GLY A 23 -8.800 -11.110 -1.830 1.00 0.00 O ATOM 0 H GLY A 23 -5.212 -12.605 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.440 -12.967 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.667 -13.725 -1.394 1.00 0.00 H new ATOM 298 N ARG A 24 -7.102 -11.021 -0.355 1.00 0.00 N ATOM 299 CA ARG A 24 -7.554 -9.777 0.256 1.00 0.00 C ATOM 300 C ARG A 24 -8.070 -8.807 -0.803 1.00 0.00 C ATOM 301 O ARG A 24 -7.678 -8.880 -1.967 1.00 0.00 O ATOM 302 CB ARG A 24 -6.414 -9.129 1.045 1.00 0.00 C ATOM 303 CG ARG A 24 -6.267 -9.669 2.458 1.00 0.00 C ATOM 304 CD ARG A 24 -5.084 -9.038 3.175 1.00 0.00 C ATOM 305 NE ARG A 24 -3.846 -9.779 2.944 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.649 -9.346 3.324 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.529 -8.184 3.951 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.570 -10.077 3.078 1.00 0.00 N ATOM 0 H ARG A 24 -6.247 -11.403 0.049 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.372 -10.012 0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.478 -9.283 0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.582 -8.053 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.180 -9.474 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.138 -10.751 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.960 -8.010 2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.288 -8.997 4.245 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.904 -10.678 2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.357 -7.620 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.609 -7.854 4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.659 -10.972 2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.651 -9.744 3.370 1.00 0.00 H new ATOM 322 N GLN A 25 -8.950 -7.902 -0.390 1.00 0.00 N ATOM 323 CA GLN A 25 -9.520 -6.919 -1.304 1.00 0.00 C ATOM 324 C GLN A 25 -8.487 -5.862 -1.680 1.00 0.00 C ATOM 325 O GLN A 25 -8.074 -5.059 -0.844 1.00 0.00 O ATOM 326 CB GLN A 25 -10.743 -6.251 -0.671 1.00 0.00 C ATOM 327 CG GLN A 25 -10.998 -4.842 -1.180 1.00 0.00 C ATOM 328 CD GLN A 25 -12.261 -4.233 -0.603 1.00 0.00 C ATOM 329 OE1 GLN A 25 -12.689 -4.588 0.496 1.00 0.00 O ATOM 330 NE2 GLN A 25 -12.864 -3.310 -1.342 1.00 0.00 N ATOM 0 H GLN A 25 -9.284 -7.829 0.571 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.828 -7.439 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.623 -6.864 -0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.610 -6.219 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.147 -4.209 -0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.072 -4.860 -2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.474 -3.046 -2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.717 -2.864 -1.005 1.00 0.00 H new ATOM 339 N ILE A 26 -8.075 -5.869 -2.943 1.00 0.00 N ATOM 340 CA ILE A 26 -7.090 -4.910 -3.430 1.00 0.00 C ATOM 341 C ILE A 26 -7.768 -3.704 -4.072 1.00 0.00 C ATOM 342 O ILE A 26 -8.752 -3.847 -4.796 1.00 0.00 O ATOM 343 CB ILE A 26 -6.136 -5.554 -4.453 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.529 -6.836 -3.881 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.042 -4.573 -4.847 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.853 -7.701 -4.921 1.00 0.00 C ATOM 0 H ILE A 26 -8.407 -6.527 -3.648 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.514 -4.582 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.705 -5.812 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.803 -6.573 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.314 -7.414 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.376 -5.043 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.492 -3.685 -5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.473 -4.287 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.446 -8.592 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.580 -7.995 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.045 -7.140 -5.392 1.00 0.00 H new ATOM 358 N GLU A 27 -7.232 -2.518 -3.802 1.00 0.00 N ATOM 359 CA GLU A 27 -7.786 -1.287 -4.354 1.00 0.00 C ATOM 360 C GLU A 27 -6.674 -0.361 -4.839 1.00 0.00 C ATOM 361 O GLU A 27 -5.528 -0.467 -4.402 1.00 0.00 O ATOM 362 CB GLU A 27 -8.641 -0.571 -3.307 1.00 0.00 C ATOM 363 CG GLU A 27 -10.102 -0.989 -3.326 1.00 0.00 C ATOM 364 CD GLU A 27 -10.665 -1.081 -4.731 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.688 -0.047 -5.430 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.081 -2.188 -5.131 1.00 0.00 O ATOM 0 H GLU A 27 -6.416 -2.383 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.414 -1.551 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.228 -0.767 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.577 0.505 -3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.206 -1.956 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.688 -0.273 -2.750 1.00 0.00 H new ATOM 373 N TYR A 28 -7.022 0.547 -5.744 1.00 0.00 N ATOM 374 CA TYR A 28 -6.054 1.491 -6.291 1.00 0.00 C ATOM 375 C TYR A 28 -6.215 2.867 -5.654 1.00 0.00 C ATOM 376 O TYR A 28 -7.122 3.624 -6.005 1.00 0.00 O ATOM 377 CB TYR A 28 -6.215 1.597 -7.809 1.00 0.00 C ATOM 378 CG TYR A 28 -6.508 0.274 -8.481 1.00 0.00 C ATOM 379 CD1 TYR A 28 -5.646 -0.806 -8.337 1.00 0.00 C ATOM 380 CD2 TYR A 28 -7.646 0.105 -9.260 1.00 0.00 C ATOM 381 CE1 TYR A 28 -5.909 -2.016 -8.949 1.00 0.00 C ATOM 382 CE2 TYR A 28 -7.918 -1.102 -9.875 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.046 -2.159 -9.717 1.00 0.00 C ATOM 384 OH TYR A 28 -7.313 -3.362 -10.329 1.00 0.00 O ATOM 0 H TYR A 28 -7.967 0.649 -6.114 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.055 1.120 -6.063 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.022 2.295 -8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.303 2.017 -8.234 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.755 -0.698 -7.736 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.330 0.931 -9.387 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.228 -2.846 -8.827 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.808 -1.217 -10.476 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.152 -3.295 -10.831 1.00 0.00 H new ATOM 394 N ILE A 29 -5.329 3.185 -4.716 1.00 0.00 N ATOM 395 CA ILE A 29 -5.371 4.471 -4.031 1.00 0.00 C ATOM 396 C ILE A 29 -4.574 5.526 -4.791 1.00 0.00 C ATOM 397 O ILE A 29 -3.346 5.568 -4.711 1.00 0.00 O ATOM 398 CB ILE A 29 -4.820 4.362 -2.597 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.542 3.250 -1.833 1.00 0.00 C ATOM 400 CG2 ILE A 29 -4.967 5.691 -1.871 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.029 3.483 -1.686 1.00 0.00 C ATOM 0 H ILE A 29 -4.574 2.570 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.418 4.772 -3.988 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.760 4.113 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.380 2.303 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.098 3.154 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.573 5.598 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.413 6.462 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.021 5.967 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.474 2.655 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.200 4.413 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.486 3.549 -2.673 1.00 0.00 H new ATOM 413 N ASP A 30 -5.280 6.376 -5.527 1.00 0.00 N ATOM 414 CA ASP A 30 -4.639 7.434 -6.299 1.00 0.00 C ATOM 415 C ASP A 30 -4.656 8.753 -5.534 1.00 0.00 C ATOM 416 O ASP A 30 -5.679 9.437 -5.478 1.00 0.00 O ATOM 417 CB ASP A 30 -5.338 7.604 -7.649 1.00 0.00 C ATOM 418 CG ASP A 30 -4.877 6.586 -8.673 1.00 0.00 C ATOM 419 OD1 ASP A 30 -3.886 6.862 -9.380 1.00 0.00 O ATOM 420 OD2 ASP A 30 -5.507 5.512 -8.766 1.00 0.00 O ATOM 0 H ASP A 30 -6.297 6.353 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.601 7.148 -6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.415 7.513 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.149 8.608 -8.029 1.00 0.00 H new ATOM 425 N ILE A 31 -3.518 9.104 -4.944 1.00 0.00 N ATOM 426 CA ILE A 31 -3.403 10.341 -4.182 1.00 0.00 C ATOM 427 C ILE A 31 -2.825 11.463 -5.038 1.00 0.00 C ATOM 428 O ILE A 31 -1.781 11.299 -5.670 1.00 0.00 O ATOM 429 CB ILE A 31 -2.518 10.154 -2.935 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.174 9.174 -1.960 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.264 11.493 -2.260 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.268 8.755 -0.824 1.00 0.00 C ATOM 0 H ILE A 31 -2.663 8.549 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.410 10.611 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.559 9.740 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.073 9.632 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.491 8.286 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.637 11.344 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.759 12.162 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.214 11.934 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.799 8.060 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.380 8.268 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.971 9.634 -0.252 1.00 0.00 H new ATOM 444 N GLU A 32 -3.509 12.602 -5.052 1.00 0.00 N ATOM 445 CA GLU A 32 -3.062 13.751 -5.830 1.00 0.00 C ATOM 446 C GLU A 32 -2.044 14.576 -5.047 1.00 0.00 C ATOM 447 O GLU A 32 -2.408 15.491 -4.307 1.00 0.00 O ATOM 448 CB GLU A 32 -4.255 14.628 -6.218 1.00 0.00 C ATOM 449 CG GLU A 32 -4.081 15.338 -7.549 1.00 0.00 C ATOM 450 CD GLU A 32 -4.811 16.666 -7.602 1.00 0.00 C ATOM 451 OE1 GLU A 32 -6.059 16.655 -7.642 1.00 0.00 O ATOM 452 OE2 GLU A 32 -4.135 17.716 -7.604 1.00 0.00 O ATOM 0 H GLU A 32 -4.374 12.754 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.583 13.379 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.151 14.009 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.418 15.372 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.019 15.504 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.446 14.695 -8.350 1.00 0.00 H new ATOM 459 N ARG A 33 -0.768 14.245 -5.215 1.00 0.00 N ATOM 460 CA ARG A 33 0.302 14.952 -4.523 1.00 0.00 C ATOM 461 C ARG A 33 0.075 16.461 -4.568 1.00 0.00 C ATOM 462 O ARG A 33 -0.012 17.068 -5.636 1.00 0.00 O ATOM 463 CB ARG A 33 1.656 14.611 -5.149 1.00 0.00 C ATOM 464 CG ARG A 33 2.361 13.445 -4.475 1.00 0.00 C ATOM 465 CD ARG A 33 2.934 13.845 -3.125 1.00 0.00 C ATOM 466 NE ARG A 33 4.152 13.106 -2.806 1.00 0.00 N ATOM 467 CZ ARG A 33 5.067 13.534 -1.943 1.00 0.00 C ATOM 468 NH1 ARG A 33 4.902 14.690 -1.315 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.150 12.805 -1.706 1.00 0.00 N ATOM 0 H ARG A 33 -0.450 13.491 -5.825 1.00 0.00 H new ATOM 0 HA ARG A 33 0.300 14.632 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.511 14.377 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.300 15.489 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.660 12.621 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.162 13.082 -5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.148 14.914 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.189 13.669 -2.349 1.00 0.00 H new ATOM 0 HE ARG A 33 4.309 12.212 -3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.071 15.253 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.606 15.016 -0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.281 11.915 -2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.852 13.135 -1.043 1.00 0.00 H new ATOM 536 N LEU A 39 1.705 13.696 1.753 1.00 0.00 N ATOM 537 CA LEU A 39 0.747 12.611 1.574 1.00 0.00 C ATOM 538 C LEU A 39 -0.277 12.596 2.705 1.00 0.00 C ATOM 539 O LEU A 39 -1.411 12.157 2.523 1.00 0.00 O ATOM 540 CB LEU A 39 1.474 11.267 1.511 1.00 0.00 C ATOM 541 CG LEU A 39 2.901 11.300 0.962 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.435 9.889 0.776 1.00 0.00 C ATOM 543 CD2 LEU A 39 2.949 12.068 -0.351 1.00 0.00 C ATOM 0 HA LEU A 39 0.220 12.776 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.502 10.845 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.885 10.587 0.896 1.00 0.00 H new ATOM 0 HG LEU A 39 3.536 11.813 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.451 9.933 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.438 9.372 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.799 9.349 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.972 12.082 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.300 11.583 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.609 13.091 -0.187 1.00 0.00 H new ATOM 555 N GLY A 40 0.133 13.081 3.873 1.00 0.00 N ATOM 556 CA GLY A 40 -0.761 13.116 5.016 1.00 0.00 C ATOM 557 C GLY A 40 -0.952 11.750 5.645 1.00 0.00 C ATOM 558 O GLY A 40 -1.921 11.522 6.370 1.00 0.00 O ATOM 0 H GLY A 40 1.068 13.450 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.364 13.804 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.729 13.508 4.704 1.00 0.00 H new ATOM 562 N PHE A 41 -0.027 10.837 5.366 1.00 0.00 N ATOM 563 CA PHE A 41 -0.100 9.485 5.907 1.00 0.00 C ATOM 564 C PHE A 41 1.295 8.889 6.071 1.00 0.00 C ATOM 565 O PHE A 41 2.158 9.055 5.208 1.00 0.00 O ATOM 566 CB PHE A 41 -0.944 8.593 4.996 1.00 0.00 C ATOM 567 CG PHE A 41 -0.184 8.044 3.822 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.717 7.004 3.989 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.370 8.567 2.553 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.419 6.498 2.911 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.329 8.064 1.471 1.00 0.00 C ATOM 572 CZ PHE A 41 1.224 7.028 1.651 1.00 0.00 C ATOM 0 H PHE A 41 0.782 11.009 4.769 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.571 9.538 6.889 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.342 7.764 5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.797 9.164 4.631 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.872 6.584 4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.069 9.377 2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.120 5.689 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.175 8.481 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.771 6.633 0.808 1.00 0.00 H new ATOM 582 N SER A 42 1.509 8.196 7.184 1.00 0.00 N ATOM 583 CA SER A 42 2.801 7.578 7.464 1.00 0.00 C ATOM 584 C SER A 42 2.782 6.095 7.109 1.00 0.00 C ATOM 585 O SER A 42 1.746 5.549 6.728 1.00 0.00 O ATOM 586 CB SER A 42 3.166 7.756 8.939 1.00 0.00 C ATOM 587 OG SER A 42 3.780 9.014 9.164 1.00 0.00 O ATOM 0 H SER A 42 0.805 8.048 7.907 1.00 0.00 H new ATOM 0 HA SER A 42 3.553 8.072 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.269 7.671 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.841 6.958 9.249 1.00 0.00 H new ATOM 0 HG SER A 42 4.002 9.104 10.114 1.00 0.00 H new ATOM 593 N VAL A 43 3.936 5.448 7.235 1.00 0.00 N ATOM 594 CA VAL A 43 4.054 4.027 6.929 1.00 0.00 C ATOM 595 C VAL A 43 4.966 3.323 7.928 1.00 0.00 C ATOM 596 O VAL A 43 5.869 3.935 8.498 1.00 0.00 O ATOM 597 CB VAL A 43 4.600 3.803 5.506 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.573 4.226 4.467 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.907 4.557 5.313 1.00 0.00 C ATOM 0 H VAL A 43 4.803 5.885 7.547 1.00 0.00 H new ATOM 0 HA VAL A 43 3.051 3.605 6.997 1.00 0.00 H new ATOM 0 HB VAL A 43 4.797 2.739 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.977 4.060 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.664 3.638 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.341 5.283 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.279 4.388 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.738 5.623 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.642 4.201 6.035 1.00 0.00 H new ATOM 609 N VAL A 44 4.722 2.033 8.136 1.00 0.00 N ATOM 610 CA VAL A 44 5.522 1.244 9.065 1.00 0.00 C ATOM 611 C VAL A 44 6.138 0.035 8.370 1.00 0.00 C ATOM 612 O VAL A 44 5.474 -0.655 7.597 1.00 0.00 O ATOM 613 CB VAL A 44 4.680 0.762 10.261 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.321 1.929 11.167 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.427 0.048 9.776 1.00 0.00 C ATOM 0 H VAL A 44 3.977 1.512 7.674 1.00 0.00 H new ATOM 0 HA VAL A 44 6.318 1.894 9.429 1.00 0.00 H new ATOM 0 HB VAL A 44 5.274 0.054 10.839 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.726 1.569 12.006 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.233 2.393 11.542 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.746 2.664 10.603 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.843 -0.286 10.634 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.828 0.732 9.174 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.710 -0.814 9.172 1.00 0.00 H new ATOM 625 N ALA A 45 7.412 -0.217 8.652 1.00 0.00 N ATOM 626 CA ALA A 45 8.118 -1.344 8.056 1.00 0.00 C ATOM 627 C ALA A 45 8.108 -2.552 8.987 1.00 0.00 C ATOM 628 O ALA A 45 8.607 -2.486 10.112 1.00 0.00 O ATOM 629 CB ALA A 45 9.547 -0.951 7.713 1.00 0.00 C ATOM 0 H ALA A 45 7.976 0.345 9.290 1.00 0.00 H new ATOM 0 HA ALA A 45 7.600 -1.621 7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.062 -1.803 7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.536 -0.123 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.068 -0.645 8.620 1.00 0.00 H new ATOM 635 N LEU A 46 7.537 -3.654 8.514 1.00 0.00 N ATOM 636 CA LEU A 46 7.462 -4.877 9.305 1.00 0.00 C ATOM 637 C LEU A 46 7.806 -6.097 8.456 1.00 0.00 C ATOM 638 O LEU A 46 7.035 -6.493 7.581 1.00 0.00 O ATOM 639 CB LEU A 46 6.063 -5.036 9.903 1.00 0.00 C ATOM 640 CG LEU A 46 5.515 -3.825 10.660 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.996 -3.872 10.714 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.099 -3.766 12.064 1.00 0.00 C ATOM 0 H LEU A 46 7.119 -3.726 7.586 1.00 0.00 H new ATOM 0 HA LEU A 46 8.190 -4.803 10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.371 -5.279 9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.074 -5.889 10.582 1.00 0.00 H new ATOM 0 HG LEU A 46 5.811 -2.922 10.126 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.624 -3.003 11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.596 -3.866 9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.678 -4.781 11.224 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.699 -2.898 12.588 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.833 -4.673 12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.184 -3.684 12.004 1.00 0.00 H new ATOM 654 N ARG A 47 8.965 -6.688 8.721 1.00 0.00 N ATOM 655 CA ARG A 47 9.410 -7.864 7.982 1.00 0.00 C ATOM 656 C ARG A 47 8.288 -8.891 7.868 1.00 0.00 C ATOM 657 O ARG A 47 7.693 -9.289 8.869 1.00 0.00 O ATOM 658 CB ARG A 47 10.625 -8.493 8.667 1.00 0.00 C ATOM 659 CG ARG A 47 11.568 -9.199 7.706 1.00 0.00 C ATOM 660 CD ARG A 47 10.964 -10.492 7.182 1.00 0.00 C ATOM 661 NE ARG A 47 10.588 -11.398 8.264 1.00 0.00 N ATOM 662 CZ ARG A 47 11.447 -12.202 8.882 1.00 0.00 C ATOM 663 NH1 ARG A 47 12.724 -12.211 8.527 1.00 0.00 N ATOM 664 NH2 ARG A 47 11.028 -12.998 9.858 1.00 0.00 N ATOM 0 H ARG A 47 9.614 -6.372 9.442 1.00 0.00 H new ATOM 0 HA ARG A 47 9.691 -7.547 6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.175 -7.716 9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.281 -9.207 9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.798 -8.539 6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.510 -9.414 8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.085 -10.263 6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.680 -10.987 6.527 1.00 0.00 H new ATOM 0 HE ARG A 47 9.613 -11.415 8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.049 -11.600 7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.381 -12.829 9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.046 -12.993 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.688 -13.615 10.332 1.00 0.00 H new ATOM 678 N SER A 48 8.005 -9.316 6.641 1.00 0.00 N ATOM 679 CA SER A 48 6.951 -10.294 6.395 1.00 0.00 C ATOM 680 C SER A 48 7.466 -11.713 6.610 1.00 0.00 C ATOM 681 O SER A 48 8.657 -11.924 6.840 1.00 0.00 O ATOM 682 CB SER A 48 6.411 -10.145 4.971 1.00 0.00 C ATOM 683 OG SER A 48 5.081 -10.625 4.878 1.00 0.00 O ATOM 0 H SER A 48 8.490 -8.999 5.802 1.00 0.00 H new ATOM 0 HA SER A 48 6.144 -10.108 7.104 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.444 -9.097 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.048 -10.694 4.278 1.00 0.00 H new ATOM 0 HG SER A 48 4.486 -10.042 5.394 1.00 0.00 H new ATOM 689 N GLN A 49 6.560 -12.683 6.534 1.00 0.00 N ATOM 690 CA GLN A 49 6.923 -14.083 6.721 1.00 0.00 C ATOM 691 C GLN A 49 7.030 -14.801 5.380 1.00 0.00 C ATOM 692 O GLN A 49 7.487 -15.941 5.311 1.00 0.00 O ATOM 693 CB GLN A 49 5.892 -14.784 7.608 1.00 0.00 C ATOM 694 CG GLN A 49 6.165 -14.630 9.096 1.00 0.00 C ATOM 695 CD GLN A 49 5.245 -15.482 9.949 1.00 0.00 C ATOM 696 OE1 GLN A 49 4.124 -15.796 9.549 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.716 -15.861 11.131 1.00 0.00 N ATOM 0 H GLN A 49 5.570 -12.525 6.344 1.00 0.00 H new ATOM 0 HA GLN A 49 7.897 -14.118 7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.902 -14.385 7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.872 -15.845 7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.200 -14.902 9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.049 -13.583 9.377 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.652 -15.577 11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.142 -16.436 11.748 1.00 0.00 H new ATOM 706 N ASN A 50 6.605 -14.127 4.317 1.00 0.00 N ATOM 707 CA ASN A 50 6.652 -14.702 2.978 1.00 0.00 C ATOM 708 C ASN A 50 8.049 -15.227 2.661 1.00 0.00 C ATOM 709 O ASN A 50 8.286 -16.436 2.667 1.00 0.00 O ATOM 710 CB ASN A 50 6.239 -13.659 1.937 1.00 0.00 C ATOM 711 CG ASN A 50 4.735 -13.581 1.762 1.00 0.00 C ATOM 712 OD1 ASN A 50 4.000 -13.329 2.717 1.00 0.00 O ATOM 713 ND2 ASN A 50 4.270 -13.798 0.538 1.00 0.00 N ATOM 0 H ASN A 50 6.224 -13.182 4.357 1.00 0.00 H new ATOM 0 HA ASN A 50 5.952 -15.537 2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.618 -12.682 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.701 -13.902 0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.267 -13.759 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.916 -14.004 -0.224 1.00 0.00 H new ATOM 720 N LEU A 51 8.971 -14.311 2.384 1.00 0.00 N ATOM 721 CA LEU A 51 10.345 -14.681 2.065 1.00 0.00 C ATOM 722 C LEU A 51 11.221 -13.442 1.909 1.00 0.00 C ATOM 723 O LEU A 51 11.113 -12.713 0.923 1.00 0.00 O ATOM 724 CB LEU A 51 10.386 -15.513 0.782 1.00 0.00 C ATOM 725 CG LEU A 51 11.658 -16.329 0.551 1.00 0.00 C ATOM 726 CD1 LEU A 51 12.864 -15.413 0.422 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.863 -17.328 1.680 1.00 0.00 C ATOM 0 H LEU A 51 8.792 -13.307 2.374 1.00 0.00 H new ATOM 0 HA LEU A 51 10.735 -15.277 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.537 -16.196 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.249 -14.842 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 51 11.547 -16.882 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.760 -16.012 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.719 -14.738 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.979 -14.831 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.773 -17.900 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.952 -16.794 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.011 -18.006 1.725 1.00 0.00 H new ATOM 739 N GLY A 52 12.089 -13.209 2.888 1.00 0.00 N ATOM 740 CA GLY A 52 12.972 -12.059 2.839 1.00 0.00 C ATOM 741 C GLY A 52 12.308 -10.844 2.221 1.00 0.00 C ATOM 742 O GLY A 52 12.564 -10.507 1.065 1.00 0.00 O ATOM 0 H GLY A 52 12.197 -13.797 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.302 -11.815 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.863 -12.313 2.265 1.00 0.00 H new ATOM 746 N LYS A 53 11.450 -10.185 2.993 1.00 0.00 N ATOM 747 CA LYS A 53 10.746 -9.001 2.516 1.00 0.00 C ATOM 748 C LYS A 53 10.111 -8.241 3.676 1.00 0.00 C ATOM 749 O LYS A 53 10.129 -8.702 4.817 1.00 0.00 O ATOM 750 CB LYS A 53 9.670 -9.396 1.501 1.00 0.00 C ATOM 751 CG LYS A 53 8.420 -9.980 2.137 1.00 0.00 C ATOM 752 CD LYS A 53 7.307 -10.157 1.117 1.00 0.00 C ATOM 753 CE LYS A 53 7.648 -11.237 0.102 1.00 0.00 C ATOM 754 NZ LYS A 53 6.476 -11.590 -0.747 1.00 0.00 N ATOM 0 H LYS A 53 11.226 -10.451 3.952 1.00 0.00 H new ATOM 0 HA LYS A 53 11.472 -8.348 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.394 -8.518 0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.088 -10.124 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.657 -10.943 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.079 -9.326 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.381 -10.417 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.132 -9.213 0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.466 -10.894 -0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.000 -12.127 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.375 -12.624 -0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.614 -11.173 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.619 -11.220 -1.708 1.00 0.00 H new ATOM 768 N VAL A 54 9.547 -7.075 3.376 1.00 0.00 N ATOM 769 CA VAL A 54 8.904 -6.253 4.394 1.00 0.00 C ATOM 770 C VAL A 54 7.512 -5.818 3.950 1.00 0.00 C ATOM 771 O VAL A 54 7.264 -5.611 2.762 1.00 0.00 O ATOM 772 CB VAL A 54 9.742 -5.001 4.717 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.174 -4.276 5.927 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.197 -5.380 4.946 1.00 0.00 C ATOM 0 H VAL A 54 9.523 -6.679 2.436 1.00 0.00 H new ATOM 0 HA VAL A 54 8.821 -6.867 5.291 1.00 0.00 H new ATOM 0 HB VAL A 54 9.697 -4.324 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.779 -3.395 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.148 -3.971 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.187 -4.942 6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.775 -4.484 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.264 -6.077 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.596 -5.851 4.048 1.00 0.00 H new ATOM 784 N ASP A 55 6.606 -5.681 4.912 1.00 0.00 N ATOM 785 CA ASP A 55 5.238 -5.269 4.621 1.00 0.00 C ATOM 786 C ASP A 55 5.003 -3.824 5.049 1.00 0.00 C ATOM 787 O ASP A 55 5.033 -3.505 6.238 1.00 0.00 O ATOM 788 CB ASP A 55 4.244 -6.191 5.329 1.00 0.00 C ATOM 789 CG ASP A 55 4.310 -7.616 4.816 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.670 -7.806 3.635 1.00 0.00 O ATOM 791 OD2 ASP A 55 4.004 -8.542 5.596 1.00 0.00 O ATOM 0 H ASP A 55 6.794 -5.849 5.900 1.00 0.00 H new ATOM 0 HA ASP A 55 5.085 -5.340 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.446 -6.184 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.234 -5.805 5.192 1.00 0.00 H new ATOM 796 N ILE A 56 4.770 -2.953 4.073 1.00 0.00 N ATOM 797 CA ILE A 56 4.530 -1.542 4.348 1.00 0.00 C ATOM 798 C ILE A 56 3.055 -1.281 4.632 1.00 0.00 C ATOM 799 O ILE A 56 2.200 -1.486 3.770 1.00 0.00 O ATOM 800 CB ILE A 56 4.981 -0.654 3.174 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.383 -1.057 2.711 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.951 0.812 3.576 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.468 -0.726 3.712 1.00 0.00 C ATOM 0 H ILE A 56 4.742 -3.200 3.084 1.00 0.00 H new ATOM 0 HA ILE A 56 5.118 -1.288 5.230 1.00 0.00 H new ATOM 0 HB ILE A 56 4.289 -0.796 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.397 -2.129 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.604 -0.556 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.273 1.427 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.937 1.090 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.622 0.972 4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.435 -1.039 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.481 0.349 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.271 -1.249 4.648 1.00 0.00 H new ATOM 815 N PHE A 57 2.763 -0.824 5.845 1.00 0.00 N ATOM 816 CA PHE A 57 1.390 -0.533 6.242 1.00 0.00 C ATOM 817 C PHE A 57 1.193 0.965 6.458 1.00 0.00 C ATOM 818 O PHE A 57 2.063 1.646 7.000 1.00 0.00 O ATOM 819 CB PHE A 57 1.035 -1.295 7.521 1.00 0.00 C ATOM 820 CG PHE A 57 1.177 -2.784 7.390 1.00 0.00 C ATOM 821 CD1 PHE A 57 0.149 -3.548 6.861 1.00 0.00 C ATOM 822 CD2 PHE A 57 2.339 -3.421 7.796 1.00 0.00 C ATOM 823 CE1 PHE A 57 0.277 -4.919 6.741 1.00 0.00 C ATOM 824 CE2 PHE A 57 2.473 -4.791 7.678 1.00 0.00 C ATOM 825 CZ PHE A 57 1.441 -5.541 7.148 1.00 0.00 C ATOM 0 H PHE A 57 3.458 -0.647 6.570 1.00 0.00 H new ATOM 0 HA PHE A 57 0.729 -0.857 5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.675 -0.947 8.331 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.009 -1.059 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.763 -3.067 6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.150 -2.839 8.210 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.533 -5.503 6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.383 -5.275 8.000 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.544 -6.612 7.052 1.00 0.00 H new ATOM 835 N VAL A 58 0.041 1.471 6.029 1.00 0.00 N ATOM 836 CA VAL A 58 -0.273 2.888 6.175 1.00 0.00 C ATOM 837 C VAL A 58 -0.783 3.196 7.577 1.00 0.00 C ATOM 838 O VAL A 58 -1.802 2.658 8.012 1.00 0.00 O ATOM 839 CB VAL A 58 -1.327 3.338 5.146 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.602 4.828 5.280 1.00 0.00 C ATOM 841 CG2 VAL A 58 -0.874 2.995 3.735 1.00 0.00 C ATOM 0 H VAL A 58 -0.690 0.921 5.578 1.00 0.00 H new ATOM 0 HA VAL A 58 0.652 3.437 6.000 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.256 2.803 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.349 5.128 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.973 5.041 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.681 5.385 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.631 3.320 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.067 3.501 3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.734 1.917 3.650 1.00 0.00 H new ATOM 851 N LYS A 59 -0.069 4.067 8.283 1.00 0.00 N ATOM 852 CA LYS A 59 -0.450 4.450 9.637 1.00 0.00 C ATOM 853 C LYS A 59 -0.387 5.964 9.812 1.00 0.00 C ATOM 854 O LYS A 59 0.269 6.661 9.039 1.00 0.00 O ATOM 855 CB LYS A 59 0.466 3.770 10.658 1.00 0.00 C ATOM 856 CG LYS A 59 0.362 2.254 10.653 1.00 0.00 C ATOM 857 CD LYS A 59 0.473 1.684 12.057 1.00 0.00 C ATOM 858 CE LYS A 59 -0.060 0.261 12.124 1.00 0.00 C ATOM 859 NZ LYS A 59 0.036 -0.304 13.499 1.00 0.00 N ATOM 0 H LYS A 59 0.777 4.521 7.939 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.477 4.124 9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.498 4.056 10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.223 4.139 11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.589 1.955 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.150 1.836 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.515 1.699 12.376 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.082 2.315 12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.100 0.247 11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.500 -0.369 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.337 -1.275 13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.031 -0.315 13.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.519 0.282 14.155 1.00 0.00 H new ATOM 873 N ASP A 60 -1.073 6.465 10.834 1.00 0.00 N ATOM 874 CA ASP A 60 -1.093 7.897 11.112 1.00 0.00 C ATOM 875 C ASP A 60 -1.751 8.663 9.969 1.00 0.00 C ATOM 876 O ASP A 60 -1.198 9.639 9.462 1.00 0.00 O ATOM 877 CB ASP A 60 0.329 8.414 11.337 1.00 0.00 C ATOM 878 CG ASP A 60 0.367 9.622 12.253 1.00 0.00 C ATOM 879 OD1 ASP A 60 -0.096 9.506 13.407 1.00 0.00 O ATOM 880 OD2 ASP A 60 0.860 10.682 11.816 1.00 0.00 O ATOM 0 H ASP A 60 -1.622 5.901 11.483 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.678 8.058 12.018 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.939 7.618 11.765 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.774 8.675 10.377 1.00 0.00 H new ATOM 885 N VAL A 61 -2.935 8.213 9.566 1.00 0.00 N ATOM 886 CA VAL A 61 -3.670 8.856 8.483 1.00 0.00 C ATOM 887 C VAL A 61 -4.243 10.197 8.928 1.00 0.00 C ATOM 888 O VAL A 61 -5.366 10.268 9.426 1.00 0.00 O ATOM 889 CB VAL A 61 -4.817 7.963 7.975 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.604 8.673 6.885 1.00 0.00 C ATOM 891 CG2 VAL A 61 -4.274 6.634 7.472 1.00 0.00 C ATOM 0 H VAL A 61 -3.406 7.405 9.973 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.960 9.019 7.672 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.493 7.762 8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.410 8.026 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.025 9.596 7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.942 8.906 6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.098 6.015 7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.575 6.812 6.654 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.759 6.121 8.284 1.00 0.00 H new ATOM 901 N GLN A 62 -3.464 11.258 8.744 1.00 0.00 N ATOM 902 CA GLN A 62 -3.894 12.597 9.126 1.00 0.00 C ATOM 903 C GLN A 62 -5.356 12.825 8.757 1.00 0.00 C ATOM 904 O GLN A 62 -5.753 12.715 7.597 1.00 0.00 O ATOM 905 CB GLN A 62 -3.015 13.651 8.451 1.00 0.00 C ATOM 906 CG GLN A 62 -1.659 13.828 9.115 1.00 0.00 C ATOM 907 CD GLN A 62 -0.973 15.117 8.707 1.00 0.00 C ATOM 908 OE1 GLN A 62 -0.735 15.360 7.524 1.00 0.00 O ATOM 909 NE2 GLN A 62 -0.652 15.953 9.688 1.00 0.00 N ATOM 0 H GLN A 62 -2.532 11.216 8.333 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.792 12.689 10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.866 13.374 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.540 14.606 8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.784 13.815 10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.020 12.983 8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.868 15.711 10.655 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.189 16.837 9.474 1.00 0.00 H new ATOM 918 N PRO A 63 -6.178 13.151 9.766 1.00 0.00 N ATOM 919 CA PRO A 63 -7.609 13.401 9.571 1.00 0.00 C ATOM 920 C PRO A 63 -7.873 14.695 8.809 1.00 0.00 C ATOM 921 O PRO A 63 -8.992 14.948 8.364 1.00 0.00 O ATOM 922 CB PRO A 63 -8.149 13.502 11.000 1.00 0.00 C ATOM 923 CG PRO A 63 -6.979 13.927 11.818 1.00 0.00 C ATOM 924 CD PRO A 63 -5.774 13.300 11.174 1.00 0.00 C ATOM 0 HA PRO A 63 -8.082 12.620 8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.962 14.225 11.066 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.545 12.546 11.342 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.890 15.013 11.837 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.085 13.597 12.852 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.891 13.931 11.274 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.531 12.338 11.626 1.00 0.00 H new ATOM 932 N GLY A 64 -6.834 15.512 8.661 1.00 0.00 N ATOM 933 CA GLY A 64 -6.975 16.770 7.952 1.00 0.00 C ATOM 934 C GLY A 64 -5.958 16.925 6.839 1.00 0.00 C ATOM 935 O GLY A 64 -5.117 17.823 6.877 1.00 0.00 O ATOM 0 H GLY A 64 -5.898 15.325 9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.979 16.837 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.867 17.595 8.656 1.00 0.00 H new ATOM 939 N SER A 65 -6.034 16.047 5.844 1.00 0.00 N ATOM 940 CA SER A 65 -5.109 16.086 4.717 1.00 0.00 C ATOM 941 C SER A 65 -5.746 15.480 3.470 1.00 0.00 C ATOM 942 O SER A 65 -6.903 15.060 3.491 1.00 0.00 O ATOM 943 CB SER A 65 -3.820 15.337 5.061 1.00 0.00 C ATOM 944 OG SER A 65 -2.719 15.860 4.339 1.00 0.00 O ATOM 0 H SER A 65 -6.727 15.300 5.795 1.00 0.00 H new ATOM 0 HA SER A 65 -4.870 17.129 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.626 15.412 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.939 14.278 4.832 1.00 0.00 H new ATOM 0 HG SER A 65 -1.900 15.748 4.865 1.00 0.00 H new ATOM 950 N VAL A 66 -4.981 15.436 2.384 1.00 0.00 N ATOM 951 CA VAL A 66 -5.468 14.881 1.127 1.00 0.00 C ATOM 952 C VAL A 66 -5.947 13.445 1.310 1.00 0.00 C ATOM 953 O VAL A 66 -7.013 13.069 0.825 1.00 0.00 O ATOM 954 CB VAL A 66 -4.378 14.912 0.040 1.00 0.00 C ATOM 955 CG1 VAL A 66 -3.148 14.142 0.494 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.915 14.352 -1.269 1.00 0.00 C ATOM 0 H VAL A 66 -4.021 15.778 2.350 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.305 15.503 0.809 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.086 15.949 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.389 14.175 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.752 14.593 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.420 13.105 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.131 14.382 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.236 13.321 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.763 14.952 -1.601 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.029 5.886 1.042 1.00 0.00 N ATOM 1066 CA LEU A 73 -6.968 5.240 1.806 1.00 0.00 C ATOM 1067 C LEU A 73 -7.380 5.058 3.264 1.00 0.00 C ATOM 1068 O LEU A 73 -7.807 6.006 3.923 1.00 0.00 O ATOM 1069 CB LEU A 73 -5.682 6.064 1.728 1.00 0.00 C ATOM 1070 CG LEU A 73 -4.374 5.278 1.831 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.220 6.085 1.256 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.093 4.899 3.278 1.00 0.00 C ATOM 0 HA LEU A 73 -6.789 4.256 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.681 6.610 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.701 6.806 2.526 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.475 4.362 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.298 5.510 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.418 6.306 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.116 7.018 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.159 4.340 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.011 5.803 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.908 4.282 3.657 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.247 3.834 3.762 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.602 3.526 5.142 1.00 0.00 C ATOM 1086 C LYS A 74 -6.359 3.198 5.964 1.00 0.00 C ATOM 1087 O LYS A 74 -5.278 2.991 5.413 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.582 2.352 5.189 1.00 0.00 C ATOM 1089 CG LYS A 74 -9.802 2.541 4.304 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.934 3.223 5.053 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.809 2.213 5.780 1.00 0.00 C ATOM 1092 NZ LYS A 74 -11.181 1.746 7.047 1.00 0.00 N ATOM 0 H LYS A 74 -6.895 3.038 3.230 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.079 4.406 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.062 1.443 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.910 2.204 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.531 3.136 3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.140 1.572 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.522 3.932 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.542 3.796 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.778 2.663 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.994 1.358 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.923 1.453 7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.556 0.939 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.625 2.519 7.464 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.522 3.151 7.282 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.412 2.847 8.178 1.00 0.00 C ATOM 1108 C GLU A 75 -5.078 1.358 8.144 1.00 0.00 C ATOM 1109 O GLU A 75 -5.934 0.526 7.847 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.751 3.272 9.608 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.532 3.635 10.440 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.841 4.665 11.509 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -5.887 4.530 12.178 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -4.037 5.607 11.676 1.00 0.00 O ATOM 0 H GLU A 75 -7.411 3.319 7.753 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.540 3.406 7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.425 4.128 9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.289 2.462 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.137 2.735 10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.751 4.020 9.785 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.826 1.032 8.450 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.378 -0.356 8.454 1.00 0.00 C ATOM 1123 C ASN A 76 -3.513 -0.975 7.066 1.00 0.00 C ATOM 1124 O ASN A 76 -3.635 -2.192 6.928 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.181 -1.171 9.469 1.00 0.00 C ATOM 1126 CG ASN A 76 -4.164 -0.549 10.852 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -3.381 0.360 11.127 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -5.031 -1.039 11.732 1.00 0.00 N ATOM 0 H ASN A 76 -3.105 1.709 8.698 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.326 -0.371 8.738 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.212 -1.260 9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.775 -2.181 9.523 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.066 -0.661 12.679 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.662 -1.793 11.461 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.491 -0.129 6.042 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.610 -0.593 4.665 1.00 0.00 C ATOM 1137 C ASP A 77 -2.240 -0.933 4.086 1.00 0.00 C ATOM 1138 O ASP A 77 -1.484 -0.045 3.694 1.00 0.00 O ATOM 1139 CB ASP A 77 -4.292 0.471 3.803 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.803 0.360 3.835 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.339 -0.161 4.836 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.451 0.797 2.861 1.00 0.00 O ATOM 0 H ASP A 77 -3.392 0.881 6.140 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.220 -1.497 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.996 1.461 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.945 0.378 2.774 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.928 -2.224 4.036 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.649 -2.681 3.506 1.00 0.00 C ATOM 1149 C GLN A 78 -0.517 -2.335 2.027 1.00 0.00 C ATOM 1150 O GLN A 78 -1.301 -2.799 1.199 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.500 -4.190 3.704 1.00 0.00 C ATOM 1152 CG GLN A 78 0.943 -4.646 3.850 1.00 0.00 C ATOM 1153 CD GLN A 78 1.735 -4.494 2.567 1.00 0.00 C ATOM 1154 OE1 GLN A 78 2.030 -3.380 2.134 1.00 0.00 O ATOM 1155 NE2 GLN A 78 2.086 -5.618 1.951 1.00 0.00 N ATOM 0 H GLN A 78 -2.543 -2.972 4.356 1.00 0.00 H new ATOM 0 HA GLN A 78 0.144 -2.170 4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.058 -4.488 4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.951 -4.705 2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.424 -4.069 4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.960 -5.690 4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.820 -6.520 2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.621 -5.578 1.084 1.00 0.00 H new ATOM 1164 N ILE A 79 0.478 -1.517 1.702 1.00 0.00 N ATOM 1165 CA ILE A 79 0.712 -1.110 0.322 1.00 0.00 C ATOM 1166 C ILE A 79 1.427 -2.206 -0.461 1.00 0.00 C ATOM 1167 O ILE A 79 2.637 -2.391 -0.328 1.00 0.00 O ATOM 1168 CB ILE A 79 1.546 0.183 0.251 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.898 1.281 1.097 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.695 0.638 -1.193 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.619 2.609 1.018 1.00 0.00 C ATOM 0 H ILE A 79 1.135 -1.123 2.375 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.266 -0.928 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 79 2.539 -0.020 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.134 1.417 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.865 0.956 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.287 1.553 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.196 -0.140 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.709 0.827 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.105 3.340 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.644 2.488 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.629 2.957 -0.015 1.00 0.00 H new ATOM 1183 N LEU A 80 0.671 -2.929 -1.280 1.00 0.00 N ATOM 1184 CA LEU A 80 1.231 -4.007 -2.087 1.00 0.00 C ATOM 1185 C LEU A 80 2.146 -3.453 -3.175 1.00 0.00 C ATOM 1186 O LEU A 80 3.237 -3.972 -3.406 1.00 0.00 O ATOM 1187 CB LEU A 80 0.110 -4.833 -2.719 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.883 -5.472 -1.748 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.926 -6.280 -2.505 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.153 -6.350 -0.741 1.00 0.00 C ATOM 0 H LEU A 80 -0.332 -2.788 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 80 1.821 -4.649 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.444 -4.192 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.562 -5.624 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.394 -4.677 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.624 -6.727 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.470 -5.625 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.433 -7.067 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.875 -6.797 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.384 -7.139 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.555 -5.744 -0.176 1.00 0.00 H new ATOM 1202 N ALA A 81 1.693 -2.394 -3.839 1.00 0.00 N ATOM 1203 CA ALA A 81 2.473 -1.767 -4.899 1.00 0.00 C ATOM 1204 C ALA A 81 2.408 -0.247 -4.802 1.00 0.00 C ATOM 1205 O ALA A 81 1.445 0.310 -4.274 1.00 0.00 O ATOM 1206 CB ALA A 81 1.980 -2.233 -6.262 1.00 0.00 C ATOM 0 H ALA A 81 0.791 -1.953 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 81 3.514 -2.068 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.571 -1.757 -7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.084 -3.315 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.932 -1.960 -6.382 1.00 0.00 H new ATOM 1212 N ILE A 82 3.438 0.418 -5.314 1.00 0.00 N ATOM 1213 CA ILE A 82 3.497 1.874 -5.284 1.00 0.00 C ATOM 1214 C ILE A 82 3.871 2.437 -6.652 1.00 0.00 C ATOM 1215 O ILE A 82 4.996 2.264 -7.119 1.00 0.00 O ATOM 1216 CB ILE A 82 4.513 2.376 -4.241 1.00 0.00 C ATOM 1217 CG1 ILE A 82 4.170 1.822 -2.856 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.540 3.897 -4.216 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.150 2.233 -1.781 1.00 0.00 C ATOM 0 H ILE A 82 4.243 -0.028 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 82 2.502 2.224 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 82 5.504 2.019 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.173 2.160 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.135 0.734 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.263 4.236 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.826 4.272 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.551 4.274 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.844 1.804 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.146 1.872 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.168 3.320 -1.701 1.00 0.00 H new ATOM 1231 N ASN A 83 2.919 3.113 -7.287 1.00 0.00 N ATOM 1232 CA ASN A 83 3.149 3.703 -8.601 1.00 0.00 C ATOM 1233 C ASN A 83 3.453 2.624 -9.636 1.00 0.00 C ATOM 1234 O ASN A 83 4.411 2.736 -10.402 1.00 0.00 O ATOM 1235 CB ASN A 83 4.303 4.705 -8.539 1.00 0.00 C ATOM 1236 CG ASN A 83 4.045 5.823 -7.547 1.00 0.00 C ATOM 1237 OD1 ASN A 83 2.951 6.385 -7.499 1.00 0.00 O ATOM 1238 ND2 ASN A 83 5.056 6.152 -6.750 1.00 0.00 N ATOM 0 H ASN A 83 1.982 3.266 -6.914 1.00 0.00 H new ATOM 0 HA ASN A 83 2.240 4.224 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.219 4.183 -8.264 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.464 5.131 -9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.942 6.898 -6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.946 5.659 -6.825 1.00 0.00 H new ATOM 1245 N HIS A 84 2.630 1.580 -9.654 1.00 0.00 N ATOM 1246 CA HIS A 84 2.809 0.482 -10.596 1.00 0.00 C ATOM 1247 C HIS A 84 4.102 -0.276 -10.307 1.00 0.00 C ATOM 1248 O HIS A 84 4.944 -0.448 -11.189 1.00 0.00 O ATOM 1249 CB HIS A 84 2.824 1.009 -12.031 1.00 0.00 C ATOM 1250 CG HIS A 84 2.620 -0.057 -13.063 1.00 0.00 C ATOM 1251 ND1 HIS A 84 1.659 -1.039 -12.951 1.00 0.00 N ATOM 1252 CD2 HIS A 84 3.259 -0.290 -14.234 1.00 0.00 C ATOM 1253 CE1 HIS A 84 1.717 -1.832 -14.007 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.680 -1.398 -14.800 1.00 0.00 N ATOM 0 H HIS A 84 1.833 1.472 -9.027 1.00 0.00 H new ATOM 0 HA HIS A 84 1.971 -0.205 -10.478 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.045 1.763 -12.141 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.776 1.506 -12.217 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.073 0.288 -14.646 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.085 -2.688 -14.190 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.950 -1.818 -15.689 1.00 0.00 H new ATOM 1263 N THR A 85 4.253 -0.726 -9.066 1.00 0.00 N ATOM 1264 CA THR A 85 5.444 -1.463 -8.660 1.00 0.00 C ATOM 1265 C THR A 85 5.232 -2.154 -7.317 1.00 0.00 C ATOM 1266 O THR A 85 5.124 -1.512 -6.272 1.00 0.00 O ATOM 1267 CB THR A 85 6.671 -0.538 -8.561 1.00 0.00 C ATOM 1268 OG1 THR A 85 6.994 -0.012 -9.853 1.00 0.00 O ATOM 1269 CG2 THR A 85 7.869 -1.287 -7.998 1.00 0.00 C ATOM 0 H THR A 85 3.566 -0.593 -8.324 1.00 0.00 H new ATOM 0 HA THR A 85 5.627 -2.215 -9.427 1.00 0.00 H new ATOM 0 HB THR A 85 6.426 0.283 -7.887 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.456 -0.466 -10.535 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.724 -0.613 -7.937 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.630 -1.660 -7.002 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.113 -2.125 -8.650 1.00 0.00 H new ATOM 1277 N PRO A 86 5.171 -3.493 -7.343 1.00 0.00 N ATOM 1278 CA PRO A 86 4.973 -4.300 -6.135 1.00 0.00 C ATOM 1279 C PRO A 86 6.189 -4.274 -5.215 1.00 0.00 C ATOM 1280 O PRO A 86 7.330 -4.262 -5.678 1.00 0.00 O ATOM 1281 CB PRO A 86 4.747 -5.711 -6.683 1.00 0.00 C ATOM 1282 CG PRO A 86 5.433 -5.717 -8.006 1.00 0.00 C ATOM 1283 CD PRO A 86 5.292 -4.324 -8.553 1.00 0.00 C ATOM 0 HA PRO A 86 4.149 -3.928 -5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.164 -6.466 -6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.684 -5.930 -6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.483 -5.990 -7.900 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.980 -6.447 -8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.157 -4.038 -9.152 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.415 -4.231 -9.194 1.00 0.00 H new ATOM 1291 N LEU A 87 5.938 -4.268 -3.910 1.00 0.00 N ATOM 1292 CA LEU A 87 7.013 -4.245 -2.925 1.00 0.00 C ATOM 1293 C LEU A 87 7.375 -5.658 -2.481 1.00 0.00 C ATOM 1294 O LEU A 87 7.467 -5.940 -1.286 1.00 0.00 O ATOM 1295 CB LEU A 87 6.602 -3.407 -1.713 1.00 0.00 C ATOM 1296 CG LEU A 87 5.868 -2.100 -2.018 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.468 -1.400 -0.729 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.734 -1.190 -2.875 1.00 0.00 C ATOM 0 H LEU A 87 5.000 -4.279 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 87 7.890 -3.795 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.965 -4.018 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.498 -3.172 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 87 4.962 -2.336 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.947 -0.472 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.809 -2.049 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.360 -1.176 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.196 -0.265 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.658 -0.961 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.970 -1.691 -3.814 1.00 0.00 H new ATOM 1310 N ASP A 88 7.582 -6.543 -3.450 1.00 0.00 N ATOM 1311 CA ASP A 88 7.938 -7.927 -3.160 1.00 0.00 C ATOM 1312 C ASP A 88 9.374 -8.024 -2.655 1.00 0.00 C ATOM 1313 O ASP A 88 10.094 -7.027 -2.610 1.00 0.00 O ATOM 1314 CB ASP A 88 7.762 -8.793 -4.408 1.00 0.00 C ATOM 1315 CG ASP A 88 7.660 -10.269 -4.078 1.00 0.00 C ATOM 1316 OD1 ASP A 88 6.634 -10.677 -3.493 1.00 0.00 O ATOM 1317 OD2 ASP A 88 8.605 -11.017 -4.404 1.00 0.00 O ATOM 0 H ASP A 88 7.509 -6.326 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 88 7.272 -8.292 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.864 -8.480 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.604 -8.631 -5.081 1.00 0.00 H new ATOM 1322 N GLN A 89 9.782 -9.231 -2.276 1.00 0.00 N ATOM 1323 CA GLN A 89 11.132 -9.457 -1.773 1.00 0.00 C ATOM 1324 C GLN A 89 12.139 -8.573 -2.500 1.00 0.00 C ATOM 1325 O GLN A 89 13.084 -8.067 -1.897 1.00 0.00 O ATOM 1326 CB GLN A 89 11.518 -10.929 -1.933 1.00 0.00 C ATOM 1327 CG GLN A 89 11.965 -11.291 -3.340 1.00 0.00 C ATOM 1328 CD GLN A 89 13.438 -11.018 -3.572 1.00 0.00 C ATOM 1329 OE1 GLN A 89 14.189 -10.757 -2.632 1.00 0.00 O ATOM 1330 NE2 GLN A 89 13.860 -11.079 -4.830 1.00 0.00 N ATOM 0 H GLN A 89 9.198 -10.067 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 89 11.147 -9.197 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.321 -11.164 -1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.666 -11.551 -1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.762 -12.346 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.376 -10.724 -4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.203 -11.299 -5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.841 -10.906 -5.048 1.00 0.00 H new ATOM 1339 N ASN A 90 11.930 -8.392 -3.800 1.00 0.00 N ATOM 1340 CA ASN A 90 12.821 -7.569 -4.610 1.00 0.00 C ATOM 1341 C ASN A 90 13.049 -6.209 -3.957 1.00 0.00 C ATOM 1342 O ASN A 90 14.188 -5.799 -3.735 1.00 0.00 O ATOM 1343 CB ASN A 90 12.242 -7.383 -6.014 1.00 0.00 C ATOM 1344 CG ASN A 90 12.070 -8.699 -6.748 1.00 0.00 C ATOM 1345 OD1 ASN A 90 11.043 -9.365 -6.619 1.00 0.00 O ATOM 1346 ND2 ASN A 90 13.079 -9.079 -7.523 1.00 0.00 N ATOM 0 H ASN A 90 11.152 -8.804 -4.315 1.00 0.00 H new ATOM 0 HA ASN A 90 13.780 -8.081 -4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.277 -6.881 -5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.898 -6.731 -6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 90 13.022 -9.955 -8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.911 -8.495 -7.600 1.00 0.00 H new ATOM 1353 N ILE A 91 11.957 -5.515 -3.653 1.00 0.00 N ATOM 1354 CA ILE A 91 12.038 -4.202 -3.024 1.00 0.00 C ATOM 1355 C ILE A 91 11.898 -4.309 -1.509 1.00 0.00 C ATOM 1356 O ILE A 91 11.036 -5.028 -1.004 1.00 0.00 O ATOM 1357 CB ILE A 91 10.952 -3.252 -3.563 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.458 -2.516 -4.805 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.533 -2.261 -2.487 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.519 -1.434 -5.290 1.00 0.00 C ATOM 0 H ILE A 91 11.007 -5.840 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 91 13.019 -3.795 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 91 10.080 -3.843 -3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.428 -2.071 -4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.613 -3.238 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.765 -1.597 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.136 -2.803 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.397 -1.673 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.941 -0.955 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.555 -1.875 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.383 -0.691 -4.504 1.00 0.00 H new ATOM 1372 N SER A 92 12.751 -3.586 -0.790 1.00 0.00 N ATOM 1373 CA SER A 92 12.724 -3.601 0.668 1.00 0.00 C ATOM 1374 C SER A 92 11.805 -2.508 1.206 1.00 0.00 C ATOM 1375 O SER A 92 11.130 -1.818 0.442 1.00 0.00 O ATOM 1376 CB SER A 92 14.137 -3.415 1.227 1.00 0.00 C ATOM 1377 OG SER A 92 14.950 -4.539 0.940 1.00 0.00 O ATOM 0 H SER A 92 13.468 -2.983 -1.193 1.00 0.00 H new ATOM 0 HA SER A 92 12.337 -4.568 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.586 -2.519 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.088 -3.263 2.305 1.00 0.00 H new ATOM 0 HG SER A 92 15.848 -4.395 1.306 1.00 0.00 H new ATOM 1383 N HIS A 93 11.785 -2.357 2.526 1.00 0.00 N ATOM 1384 CA HIS A 93 10.949 -1.349 3.168 1.00 0.00 C ATOM 1385 C HIS A 93 11.415 0.057 2.800 1.00 0.00 C ATOM 1386 O HIS A 93 10.600 0.950 2.568 1.00 0.00 O ATOM 1387 CB HIS A 93 10.974 -1.526 4.686 1.00 0.00 C ATOM 1388 CG HIS A 93 12.054 -0.740 5.363 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.143 0.580 5.647 1.00 0.00 N flip ATOM 1390 CD2 HIS A 93 13.218 -1.311 5.833 1.00 0.00 C flip ATOM 1391 CE1 HIS A 93 13.346 0.781 6.278 1.00 0.00 C flip ATOM 1392 NE2 HIS A 93 13.975 -0.376 6.378 1.00 0.00 N flip ATOM 0 H HIS A 93 12.338 -2.920 3.172 1.00 0.00 H new ATOM 0 HA HIS A 93 9.927 -1.479 2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 93 10.008 -1.227 5.094 1.00 0.00 H new ATOM 0 HB3 HIS A 93 11.105 -2.583 4.918 1.00 0.00 H new ATOM 0 HD2 HIS A 93 13.471 -2.359 5.766 1.00 0.00 H new ATOM 0 HE1 HIS A 93 13.717 1.730 6.634 1.00 0.00 H new ATOM 0 HE2 HIS A 93 14.890 -0.523 6.804 1.00 0.00 H new ATOM 1401 N GLN A 94 12.730 0.245 2.749 1.00 0.00 N ATOM 1402 CA GLN A 94 13.303 1.542 2.411 1.00 0.00 C ATOM 1403 C GLN A 94 12.812 2.015 1.047 1.00 0.00 C ATOM 1404 O GLN A 94 12.146 3.044 0.941 1.00 0.00 O ATOM 1405 CB GLN A 94 14.831 1.465 2.418 1.00 0.00 C ATOM 1406 CG GLN A 94 15.411 1.009 3.747 1.00 0.00 C ATOM 1407 CD GLN A 94 16.808 0.436 3.608 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.137 -0.191 2.601 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.639 0.650 4.621 1.00 0.00 N ATOM 0 H GLN A 94 13.418 -0.484 2.937 1.00 0.00 H new ATOM 0 HA GLN A 94 12.979 2.262 3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.156 0.780 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.237 2.446 2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 94 15.435 1.852 4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.756 0.257 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 94 17.324 1.175 5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.592 0.289 4.584 1.00 0.00 H new ATOM 1418 N GLN A 95 13.147 1.258 0.008 1.00 0.00 N ATOM 1419 CA GLN A 95 12.741 1.602 -1.350 1.00 0.00 C ATOM 1420 C GLN A 95 11.274 2.020 -1.390 1.00 0.00 C ATOM 1421 O GLN A 95 10.915 2.996 -2.047 1.00 0.00 O ATOM 1422 CB GLN A 95 12.971 0.417 -2.289 1.00 0.00 C ATOM 1423 CG GLN A 95 14.353 0.402 -2.922 1.00 0.00 C ATOM 1424 CD GLN A 95 14.439 1.276 -4.157 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.304 0.796 -5.283 1.00 0.00 O ATOM 1426 NE2 GLN A 95 14.665 2.569 -3.953 1.00 0.00 N ATOM 0 H GLN A 95 13.698 0.403 0.080 1.00 0.00 H new ATOM 0 HA GLN A 95 13.349 2.443 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.825 -0.510 -1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.219 0.438 -3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 95 15.087 0.740 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.616 -0.622 -3.187 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.771 2.925 -3.003 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.733 3.206 -4.747 1.00 0.00 H new ATOM 1435 N ALA A 96 10.432 1.275 -0.682 1.00 0.00 N ATOM 1436 CA ALA A 96 9.005 1.569 -0.635 1.00 0.00 C ATOM 1437 C ALA A 96 8.757 3.017 -0.227 1.00 0.00 C ATOM 1438 O ALA A 96 7.971 3.724 -0.859 1.00 0.00 O ATOM 1439 CB ALA A 96 8.302 0.620 0.324 1.00 0.00 C ATOM 0 H ALA A 96 10.713 0.463 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 96 8.596 1.425 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.237 0.851 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.443 -0.407 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.722 0.735 1.323 1.00 0.00 H new ATOM 1445 N ILE A 97 9.431 3.452 0.832 1.00 0.00 N ATOM 1446 CA ILE A 97 9.283 4.817 1.324 1.00 0.00 C ATOM 1447 C ILE A 97 9.747 5.829 0.283 1.00 0.00 C ATOM 1448 O ILE A 97 9.138 6.886 0.115 1.00 0.00 O ATOM 1449 CB ILE A 97 10.076 5.035 2.626 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.761 3.927 3.633 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.758 6.401 3.217 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.514 4.064 4.937 1.00 0.00 C ATOM 0 H ILE A 97 10.085 2.880 1.366 1.00 0.00 H new ATOM 0 HA ILE A 97 8.222 4.967 1.525 1.00 0.00 H new ATOM 0 HB ILE A 97 11.141 4.999 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.691 3.928 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.999 2.962 3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.326 6.541 4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.028 7.178 2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.692 6.464 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.241 3.245 5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.586 4.033 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.258 5.014 5.407 1.00 0.00 H new ATOM 1464 N ALA A 98 10.829 5.499 -0.415 1.00 0.00 N ATOM 1465 CA ALA A 98 11.373 6.377 -1.443 1.00 0.00 C ATOM 1466 C ALA A 98 10.324 6.698 -2.503 1.00 0.00 C ATOM 1467 O ALA A 98 9.960 7.858 -2.700 1.00 0.00 O ATOM 1468 CB ALA A 98 12.598 5.743 -2.085 1.00 0.00 C ATOM 0 H ALA A 98 11.346 4.629 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 98 11.669 7.312 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.994 6.410 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.360 5.571 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.319 4.793 -2.540 1.00 0.00 H new ATOM 1474 N LEU A 99 9.842 5.664 -3.183 1.00 0.00 N ATOM 1475 CA LEU A 99 8.835 5.835 -4.224 1.00 0.00 C ATOM 1476 C LEU A 99 7.813 6.895 -3.824 1.00 0.00 C ATOM 1477 O LEU A 99 7.216 7.551 -4.679 1.00 0.00 O ATOM 1478 CB LEU A 99 8.127 4.508 -4.501 1.00 0.00 C ATOM 1479 CG LEU A 99 9.035 3.309 -4.780 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.215 2.032 -4.886 1.00 0.00 C ATOM 1481 CD2 LEU A 99 9.840 3.535 -6.051 1.00 0.00 C ATOM 0 H LEU A 99 10.132 4.698 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 99 9.340 6.166 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.497 4.270 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.465 4.644 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 99 9.730 3.202 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.878 1.190 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.683 1.862 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.496 2.128 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.480 2.672 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.161 3.668 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.456 4.427 -5.938 1.00 0.00 H new ATOM 1493 N LEU A 100 7.619 7.060 -2.520 1.00 0.00 N ATOM 1494 CA LEU A 100 6.671 8.042 -2.006 1.00 0.00 C ATOM 1495 C LEU A 100 7.284 9.439 -2.000 1.00 0.00 C ATOM 1496 O LEU A 100 6.844 10.322 -2.736 1.00 0.00 O ATOM 1497 CB LEU A 100 6.228 7.661 -0.592 1.00 0.00 C ATOM 1498 CG LEU A 100 5.617 6.269 -0.432 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.486 5.909 1.040 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.263 6.198 -1.123 1.00 0.00 C ATOM 0 H LEU A 100 8.106 6.526 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 100 5.801 8.050 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.091 7.735 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.500 8.397 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 100 6.282 5.545 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.049 4.915 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.471 5.918 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.843 6.636 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.843 5.200 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.590 6.933 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.385 6.411 -2.185 1.00 0.00 H new ATOM 1512 N GLN A 101 8.302 9.630 -1.167 1.00 0.00 N ATOM 1513 CA GLN A 101 8.976 10.919 -1.068 1.00 0.00 C ATOM 1514 C GLN A 101 9.594 11.315 -2.405 1.00 0.00 C ATOM 1515 O GLN A 101 10.013 12.457 -2.591 1.00 0.00 O ATOM 1516 CB GLN A 101 10.057 10.871 0.013 1.00 0.00 C ATOM 1517 CG GLN A 101 9.540 10.426 1.372 1.00 0.00 C ATOM 1518 CD GLN A 101 10.378 10.959 2.518 1.00 0.00 C ATOM 1519 OE1 GLN A 101 10.688 12.149 2.575 1.00 0.00 O ATOM 1520 NE2 GLN A 101 10.749 10.077 3.439 1.00 0.00 N ATOM 0 H GLN A 101 8.678 8.909 -0.551 1.00 0.00 H new ATOM 0 HA GLN A 101 8.233 11.669 -0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.848 10.192 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.506 11.860 0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.510 10.762 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.526 9.337 1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.469 9.100 3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.314 10.377 4.234 1.00 0.00 H new ATOM 1529 N GLN A 102 9.647 10.363 -3.331 1.00 0.00 N ATOM 1530 CA GLN A 102 10.215 10.613 -4.650 1.00 0.00 C ATOM 1531 C GLN A 102 9.144 10.515 -5.732 1.00 0.00 C ATOM 1532 O GLN A 102 9.358 9.904 -6.780 1.00 0.00 O ATOM 1533 CB GLN A 102 11.342 9.620 -4.940 1.00 0.00 C ATOM 1534 CG GLN A 102 12.479 9.679 -3.932 1.00 0.00 C ATOM 1535 CD GLN A 102 13.791 9.177 -4.502 1.00 0.00 C ATOM 1536 OE1 GLN A 102 13.928 7.860 -4.603 1.00 0.00 O flip ATOM 1537 NE2 GLN A 102 14.672 9.965 -4.848 1.00 0.00 N flip ATOM 0 H GLN A 102 9.304 9.413 -3.192 1.00 0.00 H new ATOM 0 HA GLN A 102 10.621 11.625 -4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.931 8.610 -4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.740 9.815 -5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.605 10.707 -3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.216 9.084 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.524 10.970 -4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.550 9.613 -5.230 1.00 0.00 H new ATOM 1546 N THR A 103 7.989 11.120 -5.471 1.00 0.00 N ATOM 1547 CA THR A 103 6.884 11.099 -6.421 1.00 0.00 C ATOM 1548 C THR A 103 5.976 12.309 -6.235 1.00 0.00 C ATOM 1549 O THR A 103 5.246 12.405 -5.248 1.00 0.00 O ATOM 1550 CB THR A 103 6.045 9.815 -6.279 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.693 8.730 -6.953 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.650 10.014 -6.852 1.00 0.00 C ATOM 0 H THR A 103 7.795 11.630 -4.609 1.00 0.00 H new ATOM 0 HA THR A 103 7.324 11.128 -7.418 1.00 0.00 H new ATOM 0 HB THR A 103 5.955 9.581 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.818 7.985 -6.329 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.076 9.094 -6.740 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.149 10.821 -6.318 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.724 10.270 -7.909 1.00 0.00 H new ATOM 1560 N THR A 104 6.025 13.233 -7.190 1.00 0.00 N ATOM 1561 CA THR A 104 5.207 14.437 -7.130 1.00 0.00 C ATOM 1562 C THR A 104 4.030 14.351 -8.095 1.00 0.00 C ATOM 1563 O THR A 104 3.979 13.468 -8.950 1.00 0.00 O ATOM 1564 CB THR A 104 6.034 15.695 -7.459 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.263 15.678 -6.724 1.00 0.00 O ATOM 1566 CG2 THR A 104 5.254 16.958 -7.125 1.00 0.00 C ATOM 0 H THR A 104 6.623 13.170 -8.014 1.00 0.00 H new ATOM 0 HA THR A 104 4.832 14.513 -6.109 1.00 0.00 H new ATOM 0 HB THR A 104 6.250 15.693 -8.527 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.784 16.480 -6.939 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.858 17.833 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.333 16.981 -7.707 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.012 16.966 -6.062 1.00 0.00 H new ATOM 1574 N GLY A 105 3.084 15.274 -7.952 1.00 0.00 N ATOM 1575 CA GLY A 105 1.920 15.285 -8.819 1.00 0.00 C ATOM 1576 C GLY A 105 0.918 14.206 -8.456 1.00 0.00 C ATOM 1577 O GLY A 105 -0.053 14.465 -7.745 1.00 0.00 O ATOM 0 H GLY A 105 3.103 16.015 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.437 16.260 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.239 15.148 -9.852 1.00 0.00 H new ATOM 1581 N SER A 106 1.152 12.994 -8.948 1.00 0.00 N ATOM 1582 CA SER A 106 0.259 11.873 -8.676 1.00 0.00 C ATOM 1583 C SER A 106 0.991 10.765 -7.925 1.00 0.00 C ATOM 1584 O SER A 106 2.185 10.543 -8.131 1.00 0.00 O ATOM 1585 CB SER A 106 -0.318 11.325 -9.982 1.00 0.00 C ATOM 1586 OG SER A 106 -1.593 10.743 -9.772 1.00 0.00 O ATOM 0 H SER A 106 1.952 12.763 -9.537 1.00 0.00 H new ATOM 0 HA SER A 106 -0.557 12.234 -8.050 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.398 12.129 -10.714 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.361 10.581 -10.399 1.00 0.00 H new ATOM 0 HG SER A 106 -1.941 10.402 -10.622 1.00 0.00 H new ATOM 1592 N LEU A 107 0.267 10.072 -7.053 1.00 0.00 N ATOM 1593 CA LEU A 107 0.846 8.985 -6.271 1.00 0.00 C ATOM 1594 C LEU A 107 -0.118 7.807 -6.178 1.00 0.00 C ATOM 1595 O LEU A 107 -1.106 7.857 -5.445 1.00 0.00 O ATOM 1596 CB LEU A 107 1.205 9.477 -4.867 1.00 0.00 C ATOM 1597 CG LEU A 107 1.780 8.427 -3.915 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.021 7.785 -4.514 1.00 0.00 C ATOM 1599 CD2 LEU A 107 2.099 9.051 -2.564 1.00 0.00 C ATOM 0 H LEU A 107 -0.722 10.243 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 107 1.752 8.650 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.928 10.288 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.309 9.900 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 107 1.031 7.650 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.416 7.041 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.762 7.303 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.776 8.550 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.507 8.290 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.830 9.848 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.188 9.462 -2.129 1.00 0.00 H new ATOM 1611 N ARG A 108 0.177 6.748 -6.924 1.00 0.00 N ATOM 1612 CA ARG A 108 -0.663 5.556 -6.925 1.00 0.00 C ATOM 1613 C ARG A 108 -0.187 4.554 -5.878 1.00 0.00 C ATOM 1614 O ARG A 108 1.000 4.233 -5.805 1.00 0.00 O ATOM 1615 CB ARG A 108 -0.659 4.904 -8.309 1.00 0.00 C ATOM 1616 CG ARG A 108 -1.900 4.074 -8.596 1.00 0.00 C ATOM 1617 CD ARG A 108 -1.596 2.930 -9.550 1.00 0.00 C ATOM 1618 NE ARG A 108 -1.761 3.324 -10.946 1.00 0.00 N ATOM 1619 CZ ARG A 108 -1.239 2.651 -11.966 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -0.524 1.556 -11.746 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -1.433 3.072 -13.209 1.00 0.00 N ATOM 0 H ARG A 108 0.991 6.691 -7.536 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.680 5.859 -6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -0.569 5.682 -9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.222 4.268 -8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.296 3.675 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -2.674 4.711 -9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.575 2.585 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.255 2.090 -9.330 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.307 4.161 -11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.374 1.228 -10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.125 1.041 -12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.983 3.913 -13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -1.032 2.555 -13.991 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.119 4.063 -5.069 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.795 3.097 -4.025 1.00 0.00 C ATOM 1637 C LEU A 109 -1.802 1.952 -4.011 1.00 0.00 C ATOM 1638 O LEU A 109 -2.992 2.161 -3.772 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.768 3.784 -2.658 1.00 0.00 C ATOM 1640 CG LEU A 109 0.092 5.044 -2.558 1.00 0.00 C ATOM 1641 CD1 LEU A 109 -0.040 5.672 -1.179 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.548 4.722 -2.862 1.00 0.00 C ATOM 0 H LEU A 109 -2.106 4.318 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 109 0.192 2.686 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.791 4.043 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.412 3.066 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.262 5.762 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.579 6.568 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.081 5.940 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.287 4.960 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.145 5.631 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.915 3.986 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.628 4.318 -3.871 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.317 0.742 -4.267 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.175 -0.437 -4.280 1.00 0.00 C ATOM 1656 C ILE A 110 -2.181 -1.128 -2.921 1.00 0.00 C ATOM 1657 O ILE A 110 -1.254 -1.864 -2.582 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.727 -1.447 -5.354 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -1.868 -0.835 -6.750 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.539 -2.729 -5.247 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.281 -1.695 -7.847 1.00 0.00 C ATOM 0 H ILE A 110 -0.335 0.552 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.182 -0.092 -4.514 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.678 -1.690 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.924 -0.665 -6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.379 0.139 -6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.211 -3.432 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.393 -3.171 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.596 -2.503 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.416 -1.200 -8.809 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.217 -1.845 -7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.786 -2.661 -7.862 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.234 -0.887 -2.145 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.363 -1.488 -0.823 1.00 0.00 C ATOM 1675 C VAL A 111 -4.393 -2.612 -0.829 1.00 0.00 C ATOM 1676 O VAL A 111 -5.219 -2.707 -1.737 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.768 -0.441 0.232 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.706 0.641 0.346 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.122 0.163 -0.110 1.00 0.00 C ATOM 0 H VAL A 111 -4.010 -0.280 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.386 -1.896 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.851 -0.938 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.010 1.371 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.758 0.191 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.588 1.138 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.393 0.901 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.069 0.646 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.876 -0.624 -0.135 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.338 -3.463 0.191 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.268 -4.580 0.305 1.00 0.00 C ATOM 1691 C ALA A 112 -6.181 -4.413 1.514 1.00 0.00 C ATOM 1692 O ALA A 112 -5.939 -3.565 2.374 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.505 -5.894 0.393 1.00 0.00 C ATOM 0 H ALA A 112 -3.659 -3.400 0.950 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.892 -4.594 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.211 -6.720 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.900 -6.024 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.856 -5.880 1.269 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.231 -5.226 1.574 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.181 -5.166 2.678 1.00 0.00 C ATOM 1701 C ARG A 113 -8.612 -6.567 3.100 1.00 0.00 C ATOM 1702 O ARG A 113 -8.588 -7.502 2.300 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.407 -4.342 2.280 1.00 0.00 C ATOM 1704 CG ARG A 113 -9.285 -2.866 2.621 1.00 0.00 C ATOM 1705 CD ARG A 113 -8.650 -2.081 1.484 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.647 -1.579 0.542 1.00 0.00 N ATOM 1707 CZ ARG A 113 -10.357 -0.473 0.744 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -10.179 0.241 1.846 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -11.246 -0.081 -0.160 1.00 0.00 N ATOM 0 H ARG A 113 -7.445 -5.934 0.871 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.688 -4.686 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.572 -4.446 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.286 -4.750 2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.273 -2.459 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.686 -2.749 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.084 -1.244 1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.940 -2.718 0.956 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.807 -2.105 -0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.496 -0.057 2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.725 1.089 1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.385 -0.628 -1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.791 0.767 -0.005 1.00 0.00 H new ATOM 1723 N GLU A 114 -9.007 -6.705 4.362 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.442 -7.992 4.890 1.00 0.00 C ATOM 1725 C GLU A 114 -10.965 -8.063 4.964 1.00 0.00 C ATOM 1726 O GLU A 114 -11.628 -7.167 5.486 1.00 0.00 O ATOM 1727 CB GLU A 114 -8.841 -8.230 6.277 1.00 0.00 C ATOM 1728 CG GLU A 114 -8.649 -9.699 6.614 1.00 0.00 C ATOM 1729 CD GLU A 114 -8.008 -9.907 7.972 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -8.378 -9.182 8.919 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -7.137 -10.794 8.088 1.00 0.00 O ATOM 0 H GLU A 114 -9.035 -5.941 5.037 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.092 -8.771 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.878 -7.723 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.488 -7.776 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.616 -10.202 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.029 -10.165 5.848 1.00 0.00 H new