USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=12 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= -4.28! C(o=-3.7!,f=-9.8!) USER MOD Set 1.2: A 103 THR OG1 : rot 160:sc= 0.582 USER MOD Set 2.1: A 48 SER OG : rot -101:sc= -0.146 USER MOD Set 2.2: A 50 ASN : amide:sc= 0 X(o=0.1,f=-0.32) USER MOD Set 2.3: A 53 LYS NZ :NH3+ -145:sc= 0.251 (180deg=-1.1) USER MOD Single : A 14 ASN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.627 K(o=-0.63,f=-2.3) USER MOD Single : A 19 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.3!) USER MOD Single : A 20 MET CE :methyl 161:sc=-0.00296 (180deg=-0.0422) USER MOD Single : A 22 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.27) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.5) 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 X(o=0,f=-0.15) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.184 K(o=-0.18,f=-4.4!) USER MOD Single : A 65 SER OG : rot 130:sc= -1 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 78 GLN : amide:sc= 0.767 K(o=0.77,f=-6.4!) USER MOD Single : A 84 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.17) USER MOD Single : A 85 THR OG1 : rot 6:sc= 0.584 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.0825 K(o=-0.082,f=-2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -5.32 K(o=-5.3,f=-4.2!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc=-0.00707 K(o=-0.0071,f=-1.3) USER MOD Single : A 101 GLN : amide:sc= -0.891 K(o=-0.89,f=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) 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 4.208 -12.078 -13.094 1.00 0.00 N ATOM 122 CA ASP A 12 3.621 -10.858 -13.635 1.00 0.00 C ATOM 123 C ASP A 12 3.052 -9.987 -12.519 1.00 0.00 C ATOM 124 O ASP A 12 2.632 -10.491 -11.477 1.00 0.00 O ATOM 125 CB ASP A 12 2.522 -11.199 -14.643 1.00 0.00 C ATOM 126 CG ASP A 12 1.165 -11.361 -13.988 1.00 0.00 C ATOM 127 OD1 ASP A 12 0.666 -10.377 -13.403 1.00 0.00 O ATOM 128 OD2 ASP A 12 0.601 -12.473 -14.059 1.00 0.00 O ATOM 0 HA ASP A 12 4.408 -10.299 -14.142 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.467 -10.413 -15.396 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.783 -12.121 -15.163 1.00 0.00 H new ATOM 133 N PHE A 13 3.042 -8.677 -12.744 1.00 0.00 N ATOM 134 CA PHE A 13 2.526 -7.736 -11.757 1.00 0.00 C ATOM 135 C PHE A 13 1.276 -8.289 -11.079 1.00 0.00 C ATOM 136 O PHE A 13 1.256 -8.499 -9.867 1.00 0.00 O ATOM 137 CB PHE A 13 2.210 -6.393 -12.419 1.00 0.00 C ATOM 138 CG PHE A 13 1.635 -5.379 -11.471 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.198 -5.183 -10.220 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.532 -4.621 -11.832 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.672 -4.250 -9.346 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.003 -3.687 -10.962 1.00 0.00 C ATOM 143 CZ PHE A 13 0.572 -3.502 -9.718 1.00 0.00 C ATOM 0 H PHE A 13 3.385 -8.243 -13.601 1.00 0.00 H new ATOM 0 HA PHE A 13 3.293 -7.587 -10.997 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.122 -5.991 -12.860 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.506 -6.556 -13.235 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.058 -5.766 -9.924 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.081 -4.762 -12.803 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.120 -4.106 -8.374 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.856 -3.102 -11.255 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.158 -2.774 -9.037 1.00 0.00 H new ATOM 153 N ASN A 14 0.234 -8.521 -11.871 1.00 0.00 N ATOM 154 CA ASN A 14 -1.021 -9.048 -11.348 1.00 0.00 C ATOM 155 C ASN A 14 -0.778 -10.303 -10.515 1.00 0.00 C ATOM 156 O ASN A 14 -1.498 -10.571 -9.553 1.00 0.00 O ATOM 157 CB ASN A 14 -1.984 -9.362 -12.495 1.00 0.00 C ATOM 158 CG ASN A 14 -2.842 -8.170 -12.871 1.00 0.00 C ATOM 159 OD1 ASN A 14 -4.071 -8.239 -12.834 1.00 0.00 O ATOM 160 ND2 ASN A 14 -2.197 -7.068 -13.236 1.00 0.00 N ATOM 0 H ASN A 14 0.234 -8.352 -12.877 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.467 -8.288 -10.706 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.414 -9.685 -13.366 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.628 -10.194 -12.208 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.721 -6.234 -13.500 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.177 -7.056 -13.252 1.00 0.00 H new ATOM 167 N SER A 15 0.240 -11.069 -10.892 1.00 0.00 N ATOM 168 CA SER A 15 0.576 -12.298 -10.182 1.00 0.00 C ATOM 169 C SER A 15 1.205 -11.988 -8.827 1.00 0.00 C ATOM 170 O SER A 15 0.742 -12.464 -7.791 1.00 0.00 O ATOM 171 CB SER A 15 1.533 -13.150 -11.018 1.00 0.00 C ATOM 172 OG SER A 15 1.531 -14.498 -10.580 1.00 0.00 O ATOM 0 H SER A 15 0.847 -10.861 -11.685 1.00 0.00 H new ATOM 0 HA SER A 15 -0.346 -12.856 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.243 -13.105 -12.068 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.542 -12.743 -10.949 1.00 0.00 H new ATOM 0 HG SER A 15 2.149 -15.022 -11.131 1.00 0.00 H new ATOM 178 N VAL A 16 2.265 -11.186 -8.843 1.00 0.00 N ATOM 179 CA VAL A 16 2.958 -10.810 -7.617 1.00 0.00 C ATOM 180 C VAL A 16 2.007 -10.145 -6.629 1.00 0.00 C ATOM 181 O VAL A 16 2.046 -10.422 -5.430 1.00 0.00 O ATOM 182 CB VAL A 16 4.132 -9.855 -7.905 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.690 -8.731 -8.830 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.697 -9.298 -6.607 1.00 0.00 C ATOM 0 H VAL A 16 2.662 -10.784 -9.692 1.00 0.00 H new ATOM 0 HA VAL A 16 3.347 -11.730 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 16 4.921 -10.417 -8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.532 -8.066 -9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.337 -9.152 -9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.884 -8.168 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.525 -8.625 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.918 -8.751 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.053 -10.118 -5.984 1.00 0.00 H new ATOM 194 N ILE A 17 1.151 -9.266 -7.141 1.00 0.00 N ATOM 195 CA ILE A 17 0.188 -8.562 -6.304 1.00 0.00 C ATOM 196 C ILE A 17 -0.858 -9.520 -5.744 1.00 0.00 C ATOM 197 O ILE A 17 -1.165 -9.492 -4.553 1.00 0.00 O ATOM 198 CB ILE A 17 -0.524 -7.442 -7.085 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.466 -6.332 -7.445 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.682 -6.883 -6.272 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.063 -5.641 -6.239 1.00 0.00 C ATOM 0 H ILE A 17 1.105 -9.025 -8.131 1.00 0.00 H new ATOM 0 HA ILE A 17 0.750 -8.120 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.923 -7.861 -8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.271 -6.755 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.040 -5.592 -8.064 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.175 -6.092 -6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.397 -7.679 -6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.305 -6.477 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.755 -4.866 -6.569 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.267 -5.188 -5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.598 -6.370 -5.630 1.00 0.00 H new ATOM 213 N GLN A 18 -1.400 -10.368 -6.613 1.00 0.00 N ATOM 214 CA GLN A 18 -2.411 -11.336 -6.204 1.00 0.00 C ATOM 215 C GLN A 18 -1.837 -12.334 -5.204 1.00 0.00 C ATOM 216 O GLN A 18 -2.568 -12.908 -4.398 1.00 0.00 O ATOM 217 CB GLN A 18 -2.960 -12.077 -7.424 1.00 0.00 C ATOM 218 CG GLN A 18 -3.958 -11.263 -8.233 1.00 0.00 C ATOM 219 CD GLN A 18 -5.173 -10.858 -7.422 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.391 -11.356 -6.316 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.973 -9.949 -7.967 1.00 0.00 N ATOM 0 H GLN A 18 -1.156 -10.404 -7.603 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.223 -10.793 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.129 -12.363 -8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.439 -12.999 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.466 -10.369 -8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.280 -11.844 -9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.755 -9.563 -8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.806 -9.637 -7.467 1.00 0.00 H new ATOM 230 N GLN A 19 -0.525 -12.535 -5.264 1.00 0.00 N ATOM 231 CA GLN A 19 0.147 -13.465 -4.364 1.00 0.00 C ATOM 232 C GLN A 19 0.399 -12.821 -3.005 1.00 0.00 C ATOM 233 O GLN A 19 0.290 -13.474 -1.968 1.00 0.00 O ATOM 234 CB GLN A 19 1.470 -13.932 -4.973 1.00 0.00 C ATOM 235 CG GLN A 19 1.307 -15.033 -6.009 1.00 0.00 C ATOM 236 CD GLN A 19 2.507 -15.958 -6.070 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.451 -15.823 -5.291 1.00 0.00 O ATOM 238 NE2 GLN A 19 2.476 -16.907 -6.999 1.00 0.00 N ATOM 0 H GLN A 19 0.094 -12.067 -5.926 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.504 -14.328 -4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.968 -13.080 -5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.122 -14.288 -4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.415 -15.615 -5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.149 -14.584 -6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.673 -16.983 -7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.255 -17.560 -7.087 1.00 0.00 H new ATOM 247 N MET A 20 0.737 -11.535 -3.018 1.00 0.00 N ATOM 248 CA MET A 20 1.004 -10.803 -1.786 1.00 0.00 C ATOM 249 C MET A 20 -0.290 -10.526 -1.027 1.00 0.00 C ATOM 250 O MET A 20 -0.312 -10.528 0.203 1.00 0.00 O ATOM 251 CB MET A 20 1.719 -9.486 -2.095 1.00 0.00 C ATOM 252 CG MET A 20 3.037 -9.669 -2.830 1.00 0.00 C ATOM 253 SD MET A 20 3.441 -8.268 -3.890 1.00 0.00 S ATOM 254 CE MET A 20 4.106 -7.116 -2.691 1.00 0.00 C ATOM 0 H MET A 20 0.832 -10.979 -3.868 1.00 0.00 H new ATOM 0 HA MET A 20 1.648 -11.420 -1.159 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.062 -8.857 -2.695 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.904 -8.954 -1.162 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.837 -9.813 -2.104 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.989 -10.575 -3.434 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.699 -6.359 -3.204 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.287 -6.634 -2.156 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.737 -7.652 -1.982 1.00 0.00 H new ATOM 264 N ALA A 21 -1.367 -10.288 -1.769 1.00 0.00 N ATOM 265 CA ALA A 21 -2.665 -10.011 -1.166 1.00 0.00 C ATOM 266 C ALA A 21 -3.207 -11.239 -0.443 1.00 0.00 C ATOM 267 O ALA A 21 -3.799 -11.127 0.630 1.00 0.00 O ATOM 268 CB ALA A 21 -3.650 -9.542 -2.226 1.00 0.00 C ATOM 0 H ALA A 21 -1.366 -10.282 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.535 -9.217 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.615 -9.339 -1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.274 -8.633 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.768 -10.318 -2.982 1.00 0.00 H new ATOM 274 N GLN A 22 -3.002 -12.409 -1.038 1.00 0.00 N ATOM 275 CA GLN A 22 -3.472 -13.658 -0.450 1.00 0.00 C ATOM 276 C GLN A 22 -4.995 -13.674 -0.354 1.00 0.00 C ATOM 277 O GLN A 22 -5.558 -14.094 0.656 1.00 0.00 O ATOM 278 CB GLN A 22 -2.860 -13.856 0.937 1.00 0.00 C ATOM 279 CG GLN A 22 -1.341 -13.798 0.945 1.00 0.00 C ATOM 280 CD GLN A 22 -0.704 -15.128 0.593 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.147 -15.810 1.454 1.00 0.00 O ATOM 282 NE2 GLN A 22 -0.784 -15.505 -0.677 1.00 0.00 N ATOM 0 H GLN A 22 -2.514 -12.519 -1.927 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.157 -14.476 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.248 -13.091 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.181 -14.820 1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.006 -13.040 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.998 -13.485 1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.255 -14.909 -1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.375 -16.391 -0.973 1.00 0.00 H new ATOM 291 N GLY A 23 -5.655 -13.214 -1.412 1.00 0.00 N ATOM 292 CA GLY A 23 -7.106 -13.185 -1.426 1.00 0.00 C ATOM 293 C GLY A 23 -7.663 -11.862 -0.939 1.00 0.00 C ATOM 294 O GLY A 23 -8.695 -11.398 -1.426 1.00 0.00 O ATOM 0 H GLY A 23 -5.211 -12.861 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.461 -13.374 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.489 -13.990 -0.799 1.00 0.00 H new ATOM 298 N ARG A 24 -6.981 -11.254 0.026 1.00 0.00 N ATOM 299 CA ARG A 24 -7.416 -9.978 0.581 1.00 0.00 C ATOM 300 C ARG A 24 -7.888 -9.036 -0.523 1.00 0.00 C ATOM 301 O ARG A 24 -7.241 -8.913 -1.563 1.00 0.00 O ATOM 302 CB ARG A 24 -6.279 -9.327 1.371 1.00 0.00 C ATOM 303 CG ARG A 24 -5.917 -10.073 2.644 1.00 0.00 C ATOM 304 CD ARG A 24 -4.790 -9.379 3.395 1.00 0.00 C ATOM 305 NE ARG A 24 -3.476 -9.857 2.973 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.348 -9.189 3.186 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.374 -8.021 3.813 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.191 -9.689 2.771 1.00 0.00 N ATOM 0 H ARG A 24 -6.125 -11.624 0.440 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.253 -10.169 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.396 -9.262 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.563 -8.306 1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.794 -10.145 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.618 -11.092 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.854 -8.303 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.910 -9.547 4.465 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.422 -10.753 2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.262 -7.634 4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.506 -7.510 3.975 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.167 -10.587 2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.325 -9.175 2.935 1.00 0.00 H new ATOM 322 N GLN A 25 -9.017 -8.376 -0.289 1.00 0.00 N ATOM 323 CA GLN A 25 -9.575 -7.447 -1.265 1.00 0.00 C ATOM 324 C GLN A 25 -8.612 -6.295 -1.532 1.00 0.00 C ATOM 325 O GLN A 25 -8.336 -5.486 -0.646 1.00 0.00 O ATOM 326 CB GLN A 25 -10.917 -6.902 -0.772 1.00 0.00 C ATOM 327 CG GLN A 25 -11.493 -5.812 -1.661 1.00 0.00 C ATOM 328 CD GLN A 25 -12.767 -5.213 -1.098 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.520 -5.881 -0.389 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.015 -3.946 -1.412 1.00 0.00 N ATOM 0 H GLN A 25 -9.563 -8.467 0.567 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.731 -7.989 -2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.632 -7.723 -0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.792 -6.509 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.751 -5.024 -1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.696 -6.224 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.363 -3.430 -2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.857 -3.489 -1.062 1.00 0.00 H new ATOM 339 N ILE A 26 -8.102 -6.229 -2.758 1.00 0.00 N ATOM 340 CA ILE A 26 -7.171 -5.176 -3.141 1.00 0.00 C ATOM 341 C ILE A 26 -7.913 -3.921 -3.587 1.00 0.00 C ATOM 342 O ILE A 26 -8.945 -4.002 -4.251 1.00 0.00 O ATOM 343 CB ILE A 26 -6.236 -5.636 -4.275 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.492 -6.909 -3.867 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.252 -4.532 -4.631 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.854 -7.635 -5.031 1.00 0.00 C ATOM 0 H ILE A 26 -8.318 -6.892 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.573 -4.947 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.839 -5.856 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.720 -6.652 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.188 -7.582 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.598 -4.872 -5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.800 -3.648 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.652 -4.283 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.344 -8.527 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.624 -7.923 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.133 -6.978 -5.518 1.00 0.00 H new ATOM 358 N GLU A 27 -7.378 -2.761 -3.218 1.00 0.00 N ATOM 359 CA GLU A 27 -7.990 -1.488 -3.582 1.00 0.00 C ATOM 360 C GLU A 27 -6.938 -0.500 -4.077 1.00 0.00 C ATOM 361 O GLU A 27 -6.069 -0.070 -3.318 1.00 0.00 O ATOM 362 CB GLU A 27 -8.738 -0.896 -2.386 1.00 0.00 C ATOM 363 CG GLU A 27 -10.165 -1.401 -2.250 1.00 0.00 C ATOM 364 CD GLU A 27 -11.037 -1.007 -3.426 1.00 0.00 C ATOM 365 OE1 GLU A 27 -11.014 -1.725 -4.448 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.743 0.018 -3.325 1.00 0.00 O ATOM 0 H GLU A 27 -6.523 -2.677 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.698 -1.673 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.190 -1.130 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.753 0.190 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.155 -2.487 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.600 -1.007 -1.332 1.00 0.00 H new ATOM 373 N TYR A 28 -7.023 -0.145 -5.354 1.00 0.00 N ATOM 374 CA TYR A 28 -6.077 0.790 -5.952 1.00 0.00 C ATOM 375 C TYR A 28 -6.324 2.210 -5.452 1.00 0.00 C ATOM 376 O TYR A 28 -7.243 2.889 -5.910 1.00 0.00 O ATOM 377 CB TYR A 28 -6.182 0.749 -7.478 1.00 0.00 C ATOM 378 CG TYR A 28 -6.251 -0.652 -8.042 1.00 0.00 C ATOM 379 CD1 TYR A 28 -7.457 -1.340 -8.101 1.00 0.00 C ATOM 380 CD2 TYR A 28 -5.111 -1.288 -8.518 1.00 0.00 C ATOM 381 CE1 TYR A 28 -7.524 -2.621 -8.615 1.00 0.00 C ATOM 382 CE2 TYR A 28 -5.169 -2.567 -9.036 1.00 0.00 C ATOM 383 CZ TYR A 28 -6.378 -3.230 -9.082 1.00 0.00 C ATOM 384 OH TYR A 28 -6.441 -4.504 -9.596 1.00 0.00 O ATOM 0 H TYR A 28 -7.737 -0.490 -5.995 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.072 0.490 -5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.070 1.301 -7.788 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.322 1.263 -7.907 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.357 -0.865 -7.739 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.162 -0.773 -8.482 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.469 -3.143 -8.651 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.273 -3.045 -9.403 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.547 -4.786 -9.882 1.00 0.00 H new ATOM 394 N ILE A 29 -5.496 2.651 -4.511 1.00 0.00 N ATOM 395 CA ILE A 29 -5.623 3.990 -3.949 1.00 0.00 C ATOM 396 C ILE A 29 -4.783 4.995 -4.730 1.00 0.00 C ATOM 397 O ILE A 29 -3.568 5.075 -4.552 1.00 0.00 O ATOM 398 CB ILE A 29 -5.197 4.022 -2.469 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.839 2.862 -1.706 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.577 5.353 -1.838 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.328 3.027 -1.495 1.00 0.00 C ATOM 0 H ILE A 29 -4.730 2.101 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.675 4.265 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.114 3.912 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.658 1.935 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.352 2.762 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.270 5.361 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.077 6.163 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.657 5.490 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.715 2.168 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.516 3.936 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.827 3.096 -2.462 1.00 0.00 H new ATOM 413 N ASP A 30 -5.440 5.761 -5.595 1.00 0.00 N ATOM 414 CA ASP A 30 -4.755 6.764 -6.402 1.00 0.00 C ATOM 415 C ASP A 30 -4.694 8.101 -5.670 1.00 0.00 C ATOM 416 O ASP A 30 -5.671 8.851 -5.645 1.00 0.00 O ATOM 417 CB ASP A 30 -5.461 6.936 -7.747 1.00 0.00 C ATOM 418 CG ASP A 30 -4.547 7.512 -8.811 1.00 0.00 C ATOM 419 OD1 ASP A 30 -3.314 7.376 -8.670 1.00 0.00 O ATOM 420 OD2 ASP A 30 -5.065 8.098 -9.785 1.00 0.00 O ATOM 0 H ASP A 30 -6.446 5.706 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.736 6.420 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.840 5.970 -8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.324 7.590 -7.620 1.00 0.00 H new ATOM 425 N ILE A 31 -3.543 8.393 -5.075 1.00 0.00 N ATOM 426 CA ILE A 31 -3.355 9.639 -4.343 1.00 0.00 C ATOM 427 C ILE A 31 -2.758 10.718 -5.239 1.00 0.00 C ATOM 428 O ILE A 31 -1.791 10.475 -5.960 1.00 0.00 O ATOM 429 CB ILE A 31 -2.443 9.441 -3.118 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.072 8.445 -2.142 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.183 10.773 -2.431 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.115 7.958 -1.076 1.00 0.00 C ATOM 0 H ILE A 31 -2.726 7.783 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.341 9.957 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.489 9.036 -3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.931 8.913 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.447 7.588 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.537 10.617 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.697 11.454 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.129 11.204 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.628 7.255 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.267 7.461 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.759 8.806 -0.492 1.00 0.00 H new ATOM 444 N GLU A 32 -3.340 11.913 -5.186 1.00 0.00 N ATOM 445 CA GLU A 32 -2.863 13.030 -5.993 1.00 0.00 C ATOM 446 C GLU A 32 -1.840 13.860 -5.223 1.00 0.00 C ATOM 447 O GLU A 32 -2.198 14.668 -4.367 1.00 0.00 O ATOM 448 CB GLU A 32 -4.036 13.915 -6.421 1.00 0.00 C ATOM 449 CG GLU A 32 -3.607 15.235 -7.041 1.00 0.00 C ATOM 450 CD GLU A 32 -3.376 15.129 -8.536 1.00 0.00 C ATOM 451 OE1 GLU A 32 -2.660 14.197 -8.960 1.00 0.00 O ATOM 452 OE2 GLU A 32 -3.909 15.976 -9.281 1.00 0.00 O ATOM 0 H GLU A 32 -4.141 12.132 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.380 12.623 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.650 13.369 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.663 14.118 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.371 15.988 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.692 15.578 -6.559 1.00 0.00 H new ATOM 459 N ARG A 33 -0.564 13.652 -5.534 1.00 0.00 N ATOM 460 CA ARG A 33 0.512 14.379 -4.871 1.00 0.00 C ATOM 461 C ARG A 33 0.388 15.879 -5.120 1.00 0.00 C ATOM 462 O ARG A 33 0.369 16.345 -6.260 1.00 0.00 O ATOM 463 CB ARG A 33 1.872 13.880 -5.363 1.00 0.00 C ATOM 464 CG ARG A 33 2.430 12.728 -4.543 1.00 0.00 C ATOM 465 CD ARG A 33 3.133 13.226 -3.290 1.00 0.00 C ATOM 466 NE ARG A 33 4.068 14.310 -3.581 1.00 0.00 N ATOM 467 CZ ARG A 33 4.489 15.182 -2.671 1.00 0.00 C ATOM 468 NH1 ARG A 33 4.060 15.098 -1.419 1.00 0.00 N ATOM 469 NH2 ARG A 33 5.341 16.140 -3.013 1.00 0.00 N ATOM 0 H ARG A 33 -0.251 12.986 -6.241 1.00 0.00 H new ATOM 0 HA ARG A 33 0.433 14.198 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.780 13.564 -6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.582 14.707 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.621 12.053 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.129 12.153 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.390 13.571 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.670 12.400 -2.823 1.00 0.00 H new ATOM 0 HE ARG A 33 4.417 14.403 -4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.405 14.363 -1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.385 15.769 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.673 16.207 -3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.664 16.809 -2.314 1.00 0.00 H new ATOM 536 N LEU A 39 1.958 13.488 1.286 1.00 0.00 N ATOM 537 CA LEU A 39 0.949 12.437 1.212 1.00 0.00 C ATOM 538 C LEU A 39 -0.096 12.608 2.310 1.00 0.00 C ATOM 539 O LEU A 39 -1.281 12.355 2.098 1.00 0.00 O ATOM 540 CB LEU A 39 1.607 11.061 1.328 1.00 0.00 C ATOM 541 CG LEU A 39 3.041 10.957 0.809 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.532 9.520 0.880 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.132 11.484 -0.616 1.00 0.00 C ATOM 0 HA LEU A 39 0.450 12.514 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.599 10.764 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.993 10.340 0.788 1.00 0.00 H new ATOM 0 HG LEU A 39 3.682 11.569 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.555 9.466 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.505 9.177 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.889 8.885 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.160 11.402 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.478 10.899 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.823 12.529 -0.638 1.00 0.00 H new ATOM 555 N GLY A 40 0.353 13.041 3.485 1.00 0.00 N ATOM 556 CA GLY A 40 -0.556 13.240 4.598 1.00 0.00 C ATOM 557 C GLY A 40 -0.754 11.980 5.418 1.00 0.00 C ATOM 558 O GLY A 40 -1.676 11.897 6.230 1.00 0.00 O ATOM 0 H GLY A 40 1.330 13.257 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.170 14.031 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.520 13.579 4.219 1.00 0.00 H new ATOM 562 N PHE A 41 0.114 10.996 5.206 1.00 0.00 N ATOM 563 CA PHE A 41 0.029 9.733 5.930 1.00 0.00 C ATOM 564 C PHE A 41 1.421 9.176 6.216 1.00 0.00 C ATOM 565 O PHE A 41 2.402 9.575 5.589 1.00 0.00 O ATOM 566 CB PHE A 41 -0.785 8.716 5.129 1.00 0.00 C ATOM 567 CG PHE A 41 -0.110 8.269 3.864 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.970 7.402 3.909 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.554 8.716 2.631 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.594 6.990 2.747 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.066 8.308 1.465 1.00 0.00 C ATOM 572 CZ PHE A 41 1.140 7.442 1.523 1.00 0.00 C ATOM 0 H PHE A 41 0.884 11.049 4.539 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.471 9.920 6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.979 7.845 5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.752 9.152 4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.328 7.044 4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.395 9.392 2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.436 6.315 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.289 8.666 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.624 7.119 0.613 1.00 0.00 H new ATOM 582 N SER A 42 1.497 8.252 7.169 1.00 0.00 N ATOM 583 CA SER A 42 2.768 7.642 7.542 1.00 0.00 C ATOM 584 C SER A 42 2.844 6.200 7.050 1.00 0.00 C ATOM 585 O SER A 42 1.884 5.672 6.489 1.00 0.00 O ATOM 586 CB SER A 42 2.952 7.685 9.060 1.00 0.00 C ATOM 587 OG SER A 42 4.316 7.854 9.404 1.00 0.00 O ATOM 0 H SER A 42 0.694 7.910 7.696 1.00 0.00 H new ATOM 0 HA SER A 42 3.568 8.211 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.364 8.503 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.574 6.763 9.502 1.00 0.00 H new ATOM 0 HG SER A 42 4.407 7.880 10.379 1.00 0.00 H new ATOM 593 N VAL A 43 3.994 5.569 7.263 1.00 0.00 N ATOM 594 CA VAL A 43 4.198 4.188 6.842 1.00 0.00 C ATOM 595 C VAL A 43 5.151 3.461 7.785 1.00 0.00 C ATOM 596 O VAL A 43 6.253 3.936 8.058 1.00 0.00 O ATOM 597 CB VAL A 43 4.755 4.114 5.408 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.697 4.538 4.402 1.00 0.00 C ATOM 599 CG2 VAL A 43 6.003 4.974 5.277 1.00 0.00 C ATOM 0 H VAL A 43 4.799 5.992 7.725 1.00 0.00 H new ATOM 0 HA VAL A 43 3.223 3.702 6.870 1.00 0.00 H new ATOM 0 HB VAL A 43 5.030 3.081 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.109 4.479 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.834 3.876 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.388 5.563 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.384 4.910 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.757 6.010 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.764 4.619 5.971 1.00 0.00 H new ATOM 609 N VAL A 44 4.719 2.305 8.279 1.00 0.00 N ATOM 610 CA VAL A 44 5.534 1.511 9.190 1.00 0.00 C ATOM 611 C VAL A 44 6.038 0.242 8.512 1.00 0.00 C ATOM 612 O VAL A 44 5.274 -0.475 7.866 1.00 0.00 O ATOM 613 CB VAL A 44 4.747 1.125 10.456 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.606 2.323 11.383 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.383 0.564 10.085 1.00 0.00 C ATOM 0 H VAL A 44 3.809 1.898 8.063 1.00 0.00 H new ATOM 0 HA VAL A 44 6.385 2.130 9.475 1.00 0.00 H new ATOM 0 HB VAL A 44 5.301 0.350 10.985 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.047 2.031 12.272 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.595 2.675 11.675 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.074 3.122 10.866 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.841 0.297 10.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.818 1.315 9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.511 -0.323 9.464 1.00 0.00 H new ATOM 625 N ALA A 45 7.330 -0.031 8.663 1.00 0.00 N ATOM 626 CA ALA A 45 7.936 -1.215 8.068 1.00 0.00 C ATOM 627 C ALA A 45 7.814 -2.420 8.995 1.00 0.00 C ATOM 628 O ALA A 45 8.056 -2.317 10.198 1.00 0.00 O ATOM 629 CB ALA A 45 9.397 -0.949 7.734 1.00 0.00 C ATOM 0 H ALA A 45 7.977 0.553 9.193 1.00 0.00 H new ATOM 0 HA ALA A 45 7.400 -1.443 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.837 -1.842 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.464 -0.122 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.938 -0.692 8.645 1.00 0.00 H new ATOM 635 N LEU A 46 7.435 -3.560 8.428 1.00 0.00 N ATOM 636 CA LEU A 46 7.280 -4.785 9.204 1.00 0.00 C ATOM 637 C LEU A 46 7.515 -6.015 8.333 1.00 0.00 C ATOM 638 O LEU A 46 6.685 -6.360 7.491 1.00 0.00 O ATOM 639 CB LEU A 46 5.883 -4.845 9.825 1.00 0.00 C ATOM 640 CG LEU A 46 5.482 -3.652 10.693 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.970 -3.582 10.839 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.148 -3.738 12.058 1.00 0.00 C ATOM 0 H LEU A 46 7.229 -3.661 7.434 1.00 0.00 H new ATOM 0 HA LEU A 46 8.025 -4.779 10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.154 -4.945 9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.815 -5.749 10.431 1.00 0.00 H new ATOM 0 HG LEU A 46 5.821 -2.740 10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.704 -2.727 11.460 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.514 -3.472 9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.607 -4.497 11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.851 -2.881 12.662 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.840 -4.657 12.556 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.231 -3.738 11.935 1.00 0.00 H new ATOM 654 N ARG A 47 8.650 -6.674 8.543 1.00 0.00 N ATOM 655 CA ARG A 47 8.994 -7.867 7.778 1.00 0.00 C ATOM 656 C ARG A 47 7.746 -8.682 7.452 1.00 0.00 C ATOM 657 O ARG A 47 6.952 -9.001 8.338 1.00 0.00 O ATOM 658 CB ARG A 47 9.990 -8.728 8.556 1.00 0.00 C ATOM 659 CG ARG A 47 10.928 -9.527 7.667 1.00 0.00 C ATOM 660 CD ARG A 47 10.250 -10.773 7.119 1.00 0.00 C ATOM 661 NE ARG A 47 9.796 -11.663 8.184 1.00 0.00 N ATOM 662 CZ ARG A 47 9.457 -12.932 7.987 1.00 0.00 C ATOM 663 NH1 ARG A 47 9.521 -13.458 6.772 1.00 0.00 N ATOM 664 NH2 ARG A 47 9.053 -13.678 9.007 1.00 0.00 N ATOM 0 H ARG A 47 9.347 -6.402 9.236 1.00 0.00 H new ATOM 0 HA ARG A 47 9.453 -7.548 6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.581 -8.085 9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.439 -9.415 9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.267 -8.903 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.813 -9.813 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.399 -10.481 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.944 -11.308 6.471 1.00 0.00 H new ATOM 0 HE ARG A 47 9.736 -11.290 9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.831 -12.888 5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.260 -14.433 6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.002 -13.277 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.793 -14.652 8.855 1.00 0.00 H new ATOM 678 N SER A 48 7.579 -9.015 6.177 1.00 0.00 N ATOM 679 CA SER A 48 6.426 -9.790 5.733 1.00 0.00 C ATOM 680 C SER A 48 6.587 -11.262 6.099 1.00 0.00 C ATOM 681 O SER A 48 7.697 -11.794 6.101 1.00 0.00 O ATOM 682 CB SER A 48 6.239 -9.646 4.221 1.00 0.00 C ATOM 683 OG SER A 48 4.901 -9.920 3.844 1.00 0.00 O ATOM 0 H SER A 48 8.228 -8.760 5.432 1.00 0.00 H new ATOM 0 HA SER A 48 5.542 -9.402 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.507 -8.635 3.913 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.913 -10.327 3.702 1.00 0.00 H new ATOM 0 HG SER A 48 4.844 -10.827 3.477 1.00 0.00 H new ATOM 689 N GLN A 49 5.471 -11.914 6.408 1.00 0.00 N ATOM 690 CA GLN A 49 5.488 -13.325 6.776 1.00 0.00 C ATOM 691 C GLN A 49 5.509 -14.211 5.535 1.00 0.00 C ATOM 692 O GLN A 49 5.175 -15.394 5.599 1.00 0.00 O ATOM 693 CB GLN A 49 4.271 -13.663 7.638 1.00 0.00 C ATOM 694 CG GLN A 49 2.945 -13.485 6.916 1.00 0.00 C ATOM 695 CD GLN A 49 1.801 -13.181 7.862 1.00 0.00 C ATOM 696 OE1 GLN A 49 1.761 -13.680 8.987 1.00 0.00 O ATOM 697 NE2 GLN A 49 0.861 -12.358 7.411 1.00 0.00 N ATOM 0 H GLN A 49 4.544 -11.488 6.411 1.00 0.00 H new ATOM 0 HA GLN A 49 6.395 -13.514 7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.353 -14.695 7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.279 -13.032 8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.036 -12.676 6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.717 -14.391 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.933 -11.967 6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.067 -12.117 8.004 1.00 0.00 H new ATOM 706 N ASN A 50 5.904 -13.631 4.406 1.00 0.00 N ATOM 707 CA ASN A 50 5.967 -14.369 3.149 1.00 0.00 C ATOM 708 C ASN A 50 7.378 -14.891 2.896 1.00 0.00 C ATOM 709 O ASN A 50 7.643 -16.087 3.031 1.00 0.00 O ATOM 710 CB ASN A 50 5.526 -13.476 1.987 1.00 0.00 C ATOM 711 CG ASN A 50 4.045 -13.606 1.689 1.00 0.00 C ATOM 712 OD1 ASN A 50 3.224 -12.865 2.230 1.00 0.00 O ATOM 713 ND2 ASN A 50 3.696 -14.552 0.825 1.00 0.00 N ATOM 0 H ASN A 50 6.185 -12.653 4.336 1.00 0.00 H new ATOM 0 HA ASN A 50 5.290 -15.221 3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.757 -12.437 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.097 -13.735 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.714 -14.687 0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.410 -15.144 0.400 1.00 0.00 H new ATOM 720 N LEU A 51 8.281 -13.988 2.530 1.00 0.00 N ATOM 721 CA LEU A 51 9.666 -14.357 2.259 1.00 0.00 C ATOM 722 C LEU A 51 10.525 -13.118 2.030 1.00 0.00 C ATOM 723 O LEU A 51 10.076 -12.141 1.431 1.00 0.00 O ATOM 724 CB LEU A 51 9.740 -15.276 1.038 1.00 0.00 C ATOM 725 CG LEU A 51 9.904 -14.582 -0.315 1.00 0.00 C ATOM 726 CD1 LEU A 51 8.842 -13.508 -0.496 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.297 -13.984 -0.442 1.00 0.00 C ATOM 0 H LEU A 51 8.079 -12.995 2.414 1.00 0.00 H new ATOM 0 HA LEU A 51 10.052 -14.888 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.575 -15.963 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.833 -15.879 1.007 1.00 0.00 H new ATOM 0 HG LEU A 51 9.777 -15.326 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.974 -13.025 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.853 -13.963 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.937 -12.765 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.396 -13.494 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.453 -13.253 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.042 -14.775 -0.358 1.00 0.00 H new ATOM 739 N GLY A 52 11.764 -13.166 2.509 1.00 0.00 N ATOM 740 CA GLY A 52 12.667 -12.042 2.344 1.00 0.00 C ATOM 741 C GLY A 52 11.975 -10.821 1.770 1.00 0.00 C ATOM 742 O GLY A 52 12.091 -10.537 0.577 1.00 0.00 O ATOM 0 H GLY A 52 12.159 -13.963 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.105 -11.787 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.488 -12.333 1.688 1.00 0.00 H new ATOM 746 N LYS A 53 11.253 -10.098 2.618 1.00 0.00 N ATOM 747 CA LYS A 53 10.538 -8.902 2.189 1.00 0.00 C ATOM 748 C LYS A 53 9.866 -8.215 3.374 1.00 0.00 C ATOM 749 O LYS A 53 9.680 -8.820 4.430 1.00 0.00 O ATOM 750 CB LYS A 53 9.491 -9.260 1.132 1.00 0.00 C ATOM 751 CG LYS A 53 8.268 -9.959 1.700 1.00 0.00 C ATOM 752 CD LYS A 53 7.412 -10.566 0.601 1.00 0.00 C ATOM 753 CE LYS A 53 6.393 -9.568 0.073 1.00 0.00 C ATOM 754 NZ LYS A 53 5.421 -9.159 1.125 1.00 0.00 N ATOM 0 H LYS A 53 11.147 -10.320 3.608 1.00 0.00 H new ATOM 0 HA LYS A 53 11.262 -8.212 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.175 -8.350 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.950 -9.903 0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.583 -10.741 2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.674 -9.247 2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.051 -10.902 -0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.896 -11.446 0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.910 -8.687 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.855 -10.008 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.486 -9.008 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.354 -9.906 1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.743 -8.276 1.571 1.00 0.00 H new ATOM 768 N VAL A 54 9.503 -6.950 3.191 1.00 0.00 N ATOM 769 CA VAL A 54 8.850 -6.182 4.244 1.00 0.00 C ATOM 770 C VAL A 54 7.458 -5.731 3.813 1.00 0.00 C ATOM 771 O VAL A 54 7.181 -5.595 2.621 1.00 0.00 O ATOM 772 CB VAL A 54 9.680 -4.945 4.635 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.045 -4.227 5.816 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.113 -5.344 4.950 1.00 0.00 C ATOM 0 H VAL A 54 9.650 -6.435 2.323 1.00 0.00 H new ATOM 0 HA VAL A 54 8.764 -6.840 5.108 1.00 0.00 H new ATOM 0 HB VAL A 54 9.696 -4.257 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.645 -3.356 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.038 -3.907 5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.996 -4.903 6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.685 -4.458 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.120 -6.051 5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.562 -5.809 4.073 1.00 0.00 H new ATOM 784 N ASP A 55 6.588 -5.501 4.789 1.00 0.00 N ATOM 785 CA ASP A 55 5.225 -5.064 4.511 1.00 0.00 C ATOM 786 C ASP A 55 4.984 -3.658 5.054 1.00 0.00 C ATOM 787 O ASP A 55 5.039 -3.431 6.263 1.00 0.00 O ATOM 788 CB ASP A 55 4.219 -6.040 5.123 1.00 0.00 C ATOM 789 CG ASP A 55 3.919 -7.211 4.209 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.525 -7.284 3.119 1.00 0.00 O ATOM 791 OD2 ASP A 55 3.079 -8.056 4.584 1.00 0.00 O ATOM 0 H ASP A 55 6.802 -5.610 5.780 1.00 0.00 H new ATOM 0 HA ASP A 55 5.089 -5.045 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.609 -6.413 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.293 -5.510 5.346 1.00 0.00 H new ATOM 796 N ILE A 56 4.718 -2.719 4.152 1.00 0.00 N ATOM 797 CA ILE A 56 4.469 -1.337 4.541 1.00 0.00 C ATOM 798 C ILE A 56 2.999 -1.118 4.883 1.00 0.00 C ATOM 799 O ILE A 56 2.109 -1.528 4.137 1.00 0.00 O ATOM 800 CB ILE A 56 4.876 -0.356 3.425 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.297 -0.657 2.945 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.769 1.080 3.916 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.350 -0.454 4.012 1.00 0.00 C ATOM 0 H ILE A 56 4.669 -2.890 3.148 1.00 0.00 H new ATOM 0 HA ILE A 56 5.078 -1.143 5.424 1.00 0.00 H new ATOM 0 HB ILE A 56 4.194 -0.483 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.342 -1.687 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.527 -0.018 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.060 1.761 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.741 1.287 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.429 1.222 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.333 -0.686 3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.332 0.583 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.145 -1.113 4.856 1.00 0.00 H new ATOM 815 N PHE A 57 2.751 -0.468 6.015 1.00 0.00 N ATOM 816 CA PHE A 57 1.388 -0.194 6.456 1.00 0.00 C ATOM 817 C PHE A 57 1.183 1.300 6.692 1.00 0.00 C ATOM 818 O PHE A 57 1.996 1.954 7.345 1.00 0.00 O ATOM 819 CB PHE A 57 1.078 -0.971 7.737 1.00 0.00 C ATOM 820 CG PHE A 57 1.214 -2.459 7.583 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.438 -3.080 7.777 1.00 0.00 C ATOM 822 CD2 PHE A 57 0.119 -3.237 7.244 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.567 -4.448 7.636 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.242 -4.607 7.103 1.00 0.00 C ATOM 825 CZ PHE A 57 1.468 -5.213 7.298 1.00 0.00 C ATOM 0 H PHE A 57 3.476 -0.121 6.644 1.00 0.00 H new ATOM 0 HA PHE A 57 0.706 -0.517 5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.747 -0.633 8.528 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.062 -0.738 8.057 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.301 -2.487 8.042 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.841 -2.768 7.088 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.527 -4.919 7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.620 -5.203 6.841 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.567 -6.283 7.186 1.00 0.00 H new ATOM 835 N VAL A 58 0.091 1.833 6.154 1.00 0.00 N ATOM 836 CA VAL A 58 -0.223 3.249 6.306 1.00 0.00 C ATOM 837 C VAL A 58 -0.624 3.573 7.741 1.00 0.00 C ATOM 838 O VAL A 58 -1.645 3.095 8.235 1.00 0.00 O ATOM 839 CB VAL A 58 -1.359 3.677 5.358 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.616 5.172 5.473 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.028 3.294 3.924 1.00 0.00 C ATOM 0 H VAL A 58 -0.591 1.306 5.609 1.00 0.00 H new ATOM 0 HA VAL A 58 0.681 3.802 6.051 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.269 3.153 5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.422 5.456 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.900 5.415 6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.711 5.718 5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.841 3.604 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.106 3.789 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.899 2.214 3.856 1.00 0.00 H new ATOM 851 N LYS A 59 0.187 4.388 8.406 1.00 0.00 N ATOM 852 CA LYS A 59 -0.082 4.779 9.785 1.00 0.00 C ATOM 853 C LYS A 59 -0.338 6.279 9.885 1.00 0.00 C ATOM 854 O LYS A 59 -0.101 7.024 8.934 1.00 0.00 O ATOM 855 CB LYS A 59 1.092 4.389 10.686 1.00 0.00 C ATOM 856 CG LYS A 59 1.208 2.893 10.920 1.00 0.00 C ATOM 857 CD LYS A 59 0.406 2.455 12.134 1.00 0.00 C ATOM 858 CE LYS A 59 0.924 3.104 13.409 1.00 0.00 C ATOM 859 NZ LYS A 59 0.567 2.314 14.619 1.00 0.00 N ATOM 0 H LYS A 59 1.037 4.791 8.012 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.977 4.253 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.018 4.751 10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.984 4.891 11.647 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.857 2.357 10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.256 2.626 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.643 2.716 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.454 1.370 12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.007 3.207 13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.513 4.109 13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.938 2.790 15.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.468 2.237 14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.981 1.363 14.547 1.00 0.00 H new ATOM 873 N ASP A 60 -0.820 6.716 11.043 1.00 0.00 N ATOM 874 CA ASP A 60 -1.105 8.128 11.269 1.00 0.00 C ATOM 875 C ASP A 60 -1.773 8.750 10.046 1.00 0.00 C ATOM 876 O ASP A 60 -1.298 9.750 9.508 1.00 0.00 O ATOM 877 CB ASP A 60 0.183 8.884 11.601 1.00 0.00 C ATOM 878 CG ASP A 60 -0.064 10.083 12.495 1.00 0.00 C ATOM 879 OD1 ASP A 60 -1.105 10.749 12.320 1.00 0.00 O ATOM 880 OD2 ASP A 60 0.786 10.356 13.369 1.00 0.00 O ATOM 0 H ASP A 60 -1.022 6.112 11.840 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.790 8.204 12.114 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.882 8.207 12.091 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.655 9.215 10.676 1.00 0.00 H new ATOM 885 N VAL A 61 -2.876 8.150 9.612 1.00 0.00 N ATOM 886 CA VAL A 61 -3.610 8.644 8.453 1.00 0.00 C ATOM 887 C VAL A 61 -4.377 9.917 8.790 1.00 0.00 C ATOM 888 O VAL A 61 -5.525 9.863 9.230 1.00 0.00 O ATOM 889 CB VAL A 61 -4.597 7.588 7.921 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.509 8.193 6.865 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.845 6.389 7.364 1.00 0.00 C ATOM 0 H VAL A 61 -3.281 7.321 10.046 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.872 8.862 7.681 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.217 7.246 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.199 7.432 6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.074 9.017 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.908 8.565 6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.558 5.653 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.199 6.712 6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.239 5.942 8.152 1.00 0.00 H new ATOM 901 N GLN A 62 -3.736 11.062 8.580 1.00 0.00 N ATOM 902 CA GLN A 62 -4.359 12.350 8.862 1.00 0.00 C ATOM 903 C GLN A 62 -5.807 12.370 8.383 1.00 0.00 C ATOM 904 O GLN A 62 -6.110 12.054 7.233 1.00 0.00 O ATOM 905 CB GLN A 62 -3.572 13.478 8.194 1.00 0.00 C ATOM 906 CG GLN A 62 -2.253 13.791 8.883 1.00 0.00 C ATOM 907 CD GLN A 62 -2.401 14.822 9.985 1.00 0.00 C ATOM 908 OE1 GLN A 62 -3.392 14.829 10.716 1.00 0.00 O ATOM 909 NE2 GLN A 62 -1.413 15.700 10.111 1.00 0.00 N ATOM 0 H GLN A 62 -2.785 11.124 8.215 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.351 12.501 9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.375 13.208 7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.186 14.378 8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.840 12.874 9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.539 14.154 8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.610 15.658 9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.457 16.417 10.835 1.00 0.00 H new ATOM 918 N PRO A 63 -6.723 12.751 9.285 1.00 0.00 N ATOM 919 CA PRO A 63 -8.155 12.822 8.977 1.00 0.00 C ATOM 920 C PRO A 63 -8.485 13.959 8.017 1.00 0.00 C ATOM 921 O PRO A 63 -9.586 14.024 7.470 1.00 0.00 O ATOM 922 CB PRO A 63 -8.800 13.072 10.343 1.00 0.00 C ATOM 923 CG PRO A 63 -7.734 13.728 11.151 1.00 0.00 C ATOM 924 CD PRO A 63 -6.433 13.142 10.675 1.00 0.00 C ATOM 0 HA PRO A 63 -8.510 11.919 8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.679 13.710 10.255 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.128 12.140 10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.749 14.809 11.012 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.880 13.541 12.215 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.622 13.869 10.727 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.133 12.286 11.279 1.00 0.00 H new ATOM 932 N GLY A 64 -7.524 14.856 7.814 1.00 0.00 N ATOM 933 CA GLY A 64 -7.733 15.978 6.919 1.00 0.00 C ATOM 934 C GLY A 64 -6.592 16.157 5.937 1.00 0.00 C ATOM 935 O GLY A 64 -5.827 17.117 6.032 1.00 0.00 O ATOM 0 H GLY A 64 -6.604 14.825 8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.662 15.831 6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.850 16.889 7.505 1.00 0.00 H new ATOM 939 N SER A 65 -6.475 15.229 4.993 1.00 0.00 N ATOM 940 CA SER A 65 -5.415 15.286 3.993 1.00 0.00 C ATOM 941 C SER A 65 -5.843 14.584 2.708 1.00 0.00 C ATOM 942 O SER A 65 -6.751 13.753 2.713 1.00 0.00 O ATOM 943 CB SER A 65 -4.137 14.644 4.537 1.00 0.00 C ATOM 944 OG SER A 65 -2.985 15.240 3.966 1.00 0.00 O ATOM 0 H SER A 65 -7.101 14.429 4.899 1.00 0.00 H new ATOM 0 HA SER A 65 -5.219 16.334 3.766 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.106 14.750 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.143 13.576 4.321 1.00 0.00 H new ATOM 0 HG SER A 65 -2.359 15.490 4.678 1.00 0.00 H new ATOM 950 N VAL A 66 -5.181 14.924 1.606 1.00 0.00 N ATOM 951 CA VAL A 66 -5.490 14.327 0.313 1.00 0.00 C ATOM 952 C VAL A 66 -5.747 12.830 0.446 1.00 0.00 C ATOM 953 O VAL A 66 -6.792 12.330 0.031 1.00 0.00 O ATOM 954 CB VAL A 66 -4.350 14.553 -0.697 1.00 0.00 C ATOM 955 CG1 VAL A 66 -3.030 14.048 -0.135 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.669 13.876 -2.021 1.00 0.00 C ATOM 0 H VAL A 66 -4.427 15.610 1.584 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.392 14.817 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.255 15.624 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.236 14.216 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.798 14.584 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.109 12.981 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.852 14.046 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.793 12.805 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.591 14.291 -2.429 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.627 6.423 1.745 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.545 5.631 2.319 1.00 0.00 C ATOM 1067 C LEU A 73 -7.804 5.344 3.794 1.00 0.00 C ATOM 1068 O LEU A 73 -8.127 6.247 4.567 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.210 6.362 2.157 1.00 0.00 C ATOM 1070 CG LEU A 73 -4.972 5.475 2.026 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.793 6.279 1.500 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.629 4.836 3.364 1.00 0.00 C ATOM 0 HA LEU A 73 -7.500 4.682 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.272 6.998 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.072 7.020 3.015 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.192 4.681 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.921 5.631 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.040 6.688 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.572 7.094 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.745 4.208 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.429 5.616 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.467 4.226 3.701 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.659 4.081 4.180 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.873 3.673 5.563 1.00 0.00 C ATOM 1086 C LYS A 74 -6.550 3.340 6.244 1.00 0.00 C ATOM 1087 O LYS A 74 -5.517 3.218 5.586 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.808 2.462 5.621 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.171 2.716 5.002 1.00 0.00 C ATOM 1090 CD LYS A 74 -11.003 3.661 5.853 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.559 2.960 7.083 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.693 3.714 7.686 1.00 0.00 N ATOM 0 H LYS A 74 -7.394 3.321 3.553 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.334 4.506 6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.336 1.624 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.940 2.165 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.046 3.138 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.700 1.770 4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.391 4.509 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.824 4.060 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.893 1.959 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.767 2.842 7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.044 3.204 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.369 4.661 7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.459 3.805 6.989 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.589 3.192 7.565 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.392 2.872 8.333 1.00 0.00 C ATOM 1108 C GLU A 75 -5.098 1.376 8.284 1.00 0.00 C ATOM 1109 O GLU A 75 -5.977 0.570 7.982 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.555 3.324 9.786 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.269 3.256 10.593 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.474 3.624 12.049 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.735 4.813 12.330 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -4.374 2.723 12.908 1.00 0.00 O ATOM 0 H GLU A 75 -7.436 3.289 8.125 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.552 3.404 7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.929 4.348 9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.310 2.703 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.859 2.248 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.532 3.928 10.153 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.855 1.013 8.584 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.444 -0.387 8.573 1.00 0.00 C ATOM 1123 C ASN A 76 -3.564 -0.979 7.172 1.00 0.00 C ATOM 1124 O ASN A 76 -3.760 -2.183 7.011 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.292 -1.196 9.556 1.00 0.00 C ATOM 1126 CG ASN A 76 -4.110 -0.739 10.990 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.986 -0.549 11.455 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -5.219 -0.559 11.699 1.00 0.00 N ATOM 0 H ASN A 76 -3.115 1.668 8.838 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.399 -0.436 8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.343 -1.110 9.281 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.027 -2.250 9.477 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.159 -0.251 12.670 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.130 -0.729 11.273 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.445 -0.123 6.163 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.539 -0.561 4.775 1.00 0.00 C ATOM 1137 C ASP A 77 -2.174 -0.994 4.248 1.00 0.00 C ATOM 1138 O ASP A 77 -1.331 -0.158 3.924 1.00 0.00 O ATOM 1139 CB ASP A 77 -4.105 0.559 3.901 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.614 0.667 4.003 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.254 -0.328 4.405 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.154 1.746 3.682 1.00 0.00 O ATOM 0 H ASP A 77 -3.283 0.877 6.280 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.212 -1.417 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.655 1.507 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.826 0.382 2.862 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.964 -2.304 4.167 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.701 -2.846 3.681 1.00 0.00 C ATOM 1149 C GLN A 78 -0.498 -2.516 2.206 1.00 0.00 C ATOM 1150 O GLN A 78 -1.196 -3.045 1.340 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.660 -4.361 3.888 1.00 0.00 C ATOM 1152 CG GLN A 78 0.749 -4.932 3.920 1.00 0.00 C ATOM 1153 CD GLN A 78 0.814 -6.354 3.397 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.262 -7.275 4.000 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.491 -6.540 2.270 1.00 0.00 N ATOM 0 H GLN A 78 -2.652 -3.009 4.432 1.00 0.00 H new ATOM 0 HA GLN A 78 0.107 -2.386 4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.164 -4.605 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.221 -4.844 3.088 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.407 -4.299 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.124 -4.908 4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.933 -5.748 1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.569 -7.475 1.871 1.00 0.00 H new ATOM 1164 N ILE A 79 0.460 -1.639 1.928 1.00 0.00 N ATOM 1165 CA ILE A 79 0.755 -1.239 0.557 1.00 0.00 C ATOM 1166 C ILE A 79 1.508 -2.338 -0.186 1.00 0.00 C ATOM 1167 O ILE A 79 2.646 -2.666 0.155 1.00 0.00 O ATOM 1168 CB ILE A 79 1.586 0.056 0.515 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.909 1.150 1.343 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.779 0.515 -0.922 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.659 2.463 1.339 1.00 0.00 C ATOM 0 H ILE A 79 1.045 -1.192 2.633 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.202 -1.062 0.067 1.00 0.00 H new ATOM 0 HB ILE A 79 2.567 -0.145 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.097 1.315 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.805 0.804 2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.368 1.432 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.300 -0.260 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.807 0.702 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.121 3.191 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.657 2.313 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.741 2.832 0.317 1.00 0.00 H new ATOM 1183 N LEU A 80 0.867 -2.902 -1.203 1.00 0.00 N ATOM 1184 CA LEU A 80 1.477 -3.964 -1.997 1.00 0.00 C ATOM 1185 C LEU A 80 2.376 -3.383 -3.083 1.00 0.00 C ATOM 1186 O LEU A 80 3.514 -3.817 -3.258 1.00 0.00 O ATOM 1187 CB LEU A 80 0.394 -4.840 -2.630 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.614 -5.464 -1.664 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.656 -6.267 -2.427 1.00 0.00 C ATOM 1190 CD2 LEU A 80 0.097 -6.341 -0.644 1.00 0.00 C ATOM 0 H LEU A 80 -0.074 -2.642 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 80 2.088 -4.575 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.153 -4.239 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.881 -5.643 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.123 -4.661 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.365 -6.704 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.187 -5.611 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.164 -7.062 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.636 -6.777 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.632 -7.138 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.805 -5.737 -0.075 1.00 0.00 H new ATOM 1202 N ALA A 81 1.858 -2.397 -3.809 1.00 0.00 N ATOM 1203 CA ALA A 81 2.616 -1.753 -4.875 1.00 0.00 C ATOM 1204 C ALA A 81 2.523 -0.235 -4.775 1.00 0.00 C ATOM 1205 O ALA A 81 1.494 0.308 -4.371 1.00 0.00 O ATOM 1206 CB ALA A 81 2.122 -2.227 -6.234 1.00 0.00 C ATOM 0 H ALA A 81 0.917 -2.027 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 81 3.663 -2.034 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.697 -1.738 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.248 -3.307 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.067 -1.976 -6.346 1.00 0.00 H new ATOM 1212 N ILE A 82 3.603 0.446 -5.145 1.00 0.00 N ATOM 1213 CA ILE A 82 3.641 1.902 -5.097 1.00 0.00 C ATOM 1214 C ILE A 82 4.061 2.485 -6.442 1.00 0.00 C ATOM 1215 O ILE A 82 5.169 2.242 -6.916 1.00 0.00 O ATOM 1216 CB ILE A 82 4.608 2.404 -4.008 1.00 0.00 C ATOM 1217 CG1 ILE A 82 4.180 1.882 -2.635 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.662 3.925 -4.009 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.131 2.260 -1.521 1.00 0.00 C ATOM 0 H ILE A 82 4.463 0.012 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 82 2.632 2.237 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 82 5.606 2.024 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.188 2.269 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.097 0.796 -2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.349 4.265 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.008 4.276 -4.981 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.667 4.325 -3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.764 1.857 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.119 1.850 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.196 3.346 -1.451 1.00 0.00 H new ATOM 1231 N ASN A 83 3.167 3.257 -7.051 1.00 0.00 N ATOM 1232 CA ASN A 83 3.444 3.877 -8.341 1.00 0.00 C ATOM 1233 C ASN A 83 3.670 2.818 -9.416 1.00 0.00 C ATOM 1234 O ASN A 83 4.665 2.856 -10.141 1.00 0.00 O ATOM 1235 CB ASN A 83 4.671 4.787 -8.240 1.00 0.00 C ATOM 1236 CG ASN A 83 4.346 6.126 -7.607 1.00 0.00 C ATOM 1237 OD1 ASN A 83 4.900 6.485 -6.568 1.00 0.00 O ATOM 1238 ND2 ASN A 83 3.444 6.873 -8.234 1.00 0.00 N ATOM 0 H ASN A 83 2.244 3.468 -6.671 1.00 0.00 H new ATOM 0 HA ASN A 83 2.578 4.476 -8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.443 4.288 -7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.083 4.949 -9.236 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.185 7.785 -7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.010 6.535 -9.093 1.00 0.00 H new ATOM 1245 N HIS A 84 2.740 1.874 -9.513 1.00 0.00 N ATOM 1246 CA HIS A 84 2.836 0.804 -10.500 1.00 0.00 C ATOM 1247 C HIS A 84 4.108 -0.013 -10.293 1.00 0.00 C ATOM 1248 O HIS A 84 4.836 -0.300 -11.244 1.00 0.00 O ATOM 1249 CB HIS A 84 2.813 1.384 -11.915 1.00 0.00 C ATOM 1250 CG HIS A 84 2.610 0.352 -12.981 1.00 0.00 C ATOM 1251 ND1 HIS A 84 3.266 0.384 -14.194 1.00 0.00 N ATOM 1252 CD2 HIS A 84 1.820 -0.746 -13.012 1.00 0.00 C ATOM 1253 CE1 HIS A 84 2.887 -0.650 -14.924 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.009 -1.351 -14.230 1.00 0.00 N ATOM 0 H HIS A 84 1.911 1.828 -8.920 1.00 0.00 H new ATOM 0 HA HIS A 84 1.977 0.145 -10.371 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.017 2.126 -11.982 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.752 1.906 -12.100 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.163 -1.084 -12.225 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.236 -0.882 -15.919 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.547 -2.203 -14.547 1.00 0.00 H new ATOM 1263 N THR A 85 4.370 -0.385 -9.044 1.00 0.00 N ATOM 1264 CA THR A 85 5.554 -1.167 -8.712 1.00 0.00 C ATOM 1265 C THR A 85 5.347 -1.959 -7.426 1.00 0.00 C ATOM 1266 O THR A 85 5.168 -1.398 -6.345 1.00 0.00 O ATOM 1267 CB THR A 85 6.795 -0.268 -8.553 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.166 0.282 -9.822 1.00 0.00 O ATOM 1269 CG2 THR A 85 7.962 -1.054 -7.975 1.00 0.00 C ATOM 0 H THR A 85 3.778 -0.157 -8.245 1.00 0.00 H new ATOM 0 HA THR A 85 5.718 -1.858 -9.539 1.00 0.00 H new ATOM 0 HB THR A 85 6.546 0.540 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.491 0.044 -10.491 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.827 -0.398 -7.872 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.686 -1.448 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.210 -1.880 -8.642 1.00 0.00 H new ATOM 1277 N PRO A 86 5.372 -3.295 -7.542 1.00 0.00 N ATOM 1278 CA PRO A 86 5.190 -4.193 -6.398 1.00 0.00 C ATOM 1279 C PRO A 86 6.374 -4.156 -5.438 1.00 0.00 C ATOM 1280 O PRO A 86 7.527 -4.063 -5.861 1.00 0.00 O ATOM 1281 CB PRO A 86 5.070 -5.574 -7.046 1.00 0.00 C ATOM 1282 CG PRO A 86 5.794 -5.449 -8.342 1.00 0.00 C ATOM 1283 CD PRO A 86 5.581 -4.032 -8.800 1.00 0.00 C ATOM 0 HA PRO A 86 4.326 -3.914 -5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.514 -6.346 -6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.027 -5.849 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.855 -5.664 -8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.408 -6.158 -9.075 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.443 -3.653 -9.349 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.719 -3.949 -9.462 1.00 0.00 H new ATOM 1291 N LEU A 87 6.083 -4.231 -4.144 1.00 0.00 N ATOM 1292 CA LEU A 87 7.125 -4.207 -3.123 1.00 0.00 C ATOM 1293 C LEU A 87 7.542 -5.622 -2.737 1.00 0.00 C ATOM 1294 O LEU A 87 7.892 -5.885 -1.586 1.00 0.00 O ATOM 1295 CB LEU A 87 6.636 -3.451 -1.886 1.00 0.00 C ATOM 1296 CG LEU A 87 6.007 -2.081 -2.141 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.412 -1.520 -0.859 1.00 0.00 C ATOM 1298 CD2 LEU A 87 7.036 -1.121 -2.719 1.00 0.00 C ATOM 0 H LEU A 87 5.135 -4.309 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 87 7.993 -3.693 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.905 -4.074 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.479 -3.321 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 87 5.204 -2.201 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.969 -0.545 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.644 -2.198 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.196 -1.415 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.571 -0.151 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.861 -1.006 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.414 -1.517 -3.661 1.00 0.00 H new ATOM 1310 N ASP A 88 7.503 -6.530 -3.706 1.00 0.00 N ATOM 1311 CA ASP A 88 7.879 -7.919 -3.468 1.00 0.00 C ATOM 1312 C ASP A 88 9.312 -8.012 -2.952 1.00 0.00 C ATOM 1313 O ASP A 88 9.958 -6.996 -2.700 1.00 0.00 O ATOM 1314 CB ASP A 88 7.732 -8.736 -4.753 1.00 0.00 C ATOM 1315 CG ASP A 88 7.418 -10.194 -4.478 1.00 0.00 C ATOM 1316 OD1 ASP A 88 6.620 -10.466 -3.557 1.00 0.00 O ATOM 1317 OD2 ASP A 88 7.968 -11.062 -5.186 1.00 0.00 O ATOM 0 H ASP A 88 7.215 -6.329 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 88 7.211 -8.327 -2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.940 -8.306 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.654 -8.668 -5.331 1.00 0.00 H new ATOM 1322 N GLN A 89 9.800 -9.239 -2.796 1.00 0.00 N ATOM 1323 CA GLN A 89 11.156 -9.464 -2.308 1.00 0.00 C ATOM 1324 C GLN A 89 12.144 -8.527 -2.994 1.00 0.00 C ATOM 1325 O GLN A 89 13.196 -8.207 -2.442 1.00 0.00 O ATOM 1326 CB GLN A 89 11.568 -10.919 -2.540 1.00 0.00 C ATOM 1327 CG GLN A 89 11.791 -11.262 -4.004 1.00 0.00 C ATOM 1328 CD GLN A 89 12.770 -12.404 -4.193 1.00 0.00 C ATOM 1329 OE1 GLN A 89 12.385 -13.512 -4.567 1.00 0.00 O ATOM 1330 NE2 GLN A 89 14.046 -12.139 -3.937 1.00 0.00 N ATOM 0 H GLN A 89 9.278 -10.091 -3.000 1.00 0.00 H new ATOM 0 HA GLN A 89 11.170 -9.256 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.484 -11.122 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.798 -11.575 -2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.837 -11.527 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.161 -10.381 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.321 -11.206 -3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.751 -12.868 -4.048 1.00 0.00 H new ATOM 1339 N ASN A 90 11.799 -8.091 -4.201 1.00 0.00 N ATOM 1340 CA ASN A 90 12.657 -7.191 -4.963 1.00 0.00 C ATOM 1341 C ASN A 90 12.882 -5.885 -4.208 1.00 0.00 C ATOM 1342 O ASN A 90 14.020 -5.509 -3.925 1.00 0.00 O ATOM 1343 CB ASN A 90 12.038 -6.901 -6.333 1.00 0.00 C ATOM 1344 CG ASN A 90 12.424 -7.936 -7.372 1.00 0.00 C ATOM 1345 OD1 ASN A 90 13.157 -8.881 -7.081 1.00 0.00 O ATOM 1346 ND2 ASN A 90 11.930 -7.761 -8.592 1.00 0.00 N ATOM 0 H ASN A 90 10.931 -8.346 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 90 13.621 -7.680 -5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.952 -6.871 -6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.356 -5.915 -6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.154 -8.425 -9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.326 -6.963 -8.788 1.00 0.00 H new ATOM 1353 N ILE A 91 11.792 -5.200 -3.883 1.00 0.00 N ATOM 1354 CA ILE A 91 11.871 -3.937 -3.159 1.00 0.00 C ATOM 1355 C ILE A 91 11.604 -4.139 -1.671 1.00 0.00 C ATOM 1356 O ILE A 91 10.673 -4.847 -1.288 1.00 0.00 O ATOM 1357 CB ILE A 91 10.869 -2.906 -3.713 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.498 -2.122 -4.867 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.415 -1.963 -2.610 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.659 -0.951 -5.329 1.00 0.00 C ATOM 0 H ILE A 91 10.843 -5.498 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 91 12.884 -3.558 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 91 9.996 -3.437 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.477 -1.757 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.661 -2.796 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.708 -1.241 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.933 -2.535 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.278 -1.436 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.166 -0.441 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.688 -1.311 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.518 -0.256 -4.501 1.00 0.00 H new ATOM 1372 N SER A 92 12.426 -3.510 -0.837 1.00 0.00 N ATOM 1373 CA SER A 92 12.281 -3.622 0.609 1.00 0.00 C ATOM 1374 C SER A 92 11.450 -2.468 1.162 1.00 0.00 C ATOM 1375 O SER A 92 10.922 -1.651 0.408 1.00 0.00 O ATOM 1376 CB SER A 92 13.655 -3.644 1.281 1.00 0.00 C ATOM 1377 OG SER A 92 14.201 -4.952 1.283 1.00 0.00 O ATOM 0 H SER A 92 13.200 -2.917 -1.138 1.00 0.00 H new ATOM 0 HA SER A 92 11.764 -4.557 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.330 -2.966 0.759 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.568 -3.281 2.305 1.00 0.00 H new ATOM 0 HG SER A 92 15.080 -4.939 1.716 1.00 0.00 H new ATOM 1383 N HIS A 93 11.339 -2.409 2.486 1.00 0.00 N ATOM 1384 CA HIS A 93 10.573 -1.355 3.142 1.00 0.00 C ATOM 1385 C HIS A 93 11.173 0.017 2.848 1.00 0.00 C ATOM 1386 O HIS A 93 10.454 0.964 2.532 1.00 0.00 O ATOM 1387 CB HIS A 93 10.529 -1.592 4.652 1.00 0.00 C ATOM 1388 CG HIS A 93 11.648 -0.929 5.395 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.765 -1.607 5.835 1.00 0.00 N ATOM 1390 CD2 HIS A 93 11.818 0.359 5.774 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.573 -0.765 6.454 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.022 0.435 6.430 1.00 0.00 N ATOM 0 H HIS A 93 11.769 -3.078 3.125 1.00 0.00 H new ATOM 0 HA HIS A 93 9.557 -1.380 2.748 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.579 -1.227 5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.561 -2.664 4.844 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.134 1.175 5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.523 -1.015 6.903 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.425 1.281 6.833 1.00 0.00 H new ATOM 1401 N GLN A 94 12.495 0.114 2.955 1.00 0.00 N ATOM 1402 CA GLN A 94 13.190 1.370 2.702 1.00 0.00 C ATOM 1403 C GLN A 94 12.825 1.928 1.330 1.00 0.00 C ATOM 1404 O GLN A 94 12.277 3.025 1.223 1.00 0.00 O ATOM 1405 CB GLN A 94 14.704 1.168 2.796 1.00 0.00 C ATOM 1406 CG GLN A 94 15.153 0.543 4.107 1.00 0.00 C ATOM 1407 CD GLN A 94 16.662 0.474 4.233 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.340 -0.125 3.397 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.198 1.088 5.281 1.00 0.00 N ATOM 0 H GLN A 94 13.105 -0.661 3.215 1.00 0.00 H new ATOM 0 HA GLN A 94 12.878 2.087 3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.030 0.535 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.199 2.131 2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.749 1.121 4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.739 -0.462 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.599 1.573 5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.209 1.075 5.418 1.00 0.00 H new ATOM 1418 N GLN A 95 13.132 1.166 0.286 1.00 0.00 N ATOM 1419 CA GLN A 95 12.836 1.586 -1.079 1.00 0.00 C ATOM 1420 C GLN A 95 11.385 2.040 -1.207 1.00 0.00 C ATOM 1421 O GLN A 95 11.094 3.046 -1.851 1.00 0.00 O ATOM 1422 CB GLN A 95 13.114 0.444 -2.058 1.00 0.00 C ATOM 1423 CG GLN A 95 14.550 0.405 -2.556 1.00 0.00 C ATOM 1424 CD GLN A 95 14.892 -0.898 -3.250 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.771 -1.976 -2.667 1.00 0.00 O ATOM 1426 NE2 GLN A 95 15.321 -0.807 -4.503 1.00 0.00 N ATOM 0 H GLN A 95 13.585 0.255 0.359 1.00 0.00 H new ATOM 0 HA GLN A 95 13.484 2.429 -1.321 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.881 -0.504 -1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.444 0.538 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.714 1.233 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.227 0.552 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.406 0.107 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.565 -1.651 -5.021 1.00 0.00 H new ATOM 1435 N ALA A 96 10.479 1.289 -0.589 1.00 0.00 N ATOM 1436 CA ALA A 96 9.059 1.615 -0.632 1.00 0.00 C ATOM 1437 C ALA A 96 8.813 3.054 -0.193 1.00 0.00 C ATOM 1438 O ALA A 96 8.037 3.779 -0.817 1.00 0.00 O ATOM 1439 CB ALA A 96 8.270 0.651 0.242 1.00 0.00 C ATOM 0 H ALA A 96 10.703 0.451 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 96 8.719 1.515 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.211 0.906 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.412 -0.367 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.621 0.723 1.272 1.00 0.00 H new ATOM 1445 N ILE A 97 9.476 3.461 0.885 1.00 0.00 N ATOM 1446 CA ILE A 97 9.328 4.814 1.406 1.00 0.00 C ATOM 1447 C ILE A 97 9.812 5.848 0.396 1.00 0.00 C ATOM 1448 O ILE A 97 9.140 6.849 0.147 1.00 0.00 O ATOM 1449 CB ILE A 97 10.104 4.997 2.724 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.706 3.916 3.731 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.852 6.383 3.298 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.330 4.102 5.096 1.00 0.00 C ATOM 0 H ILE A 97 10.120 2.873 1.414 1.00 0.00 H new ATOM 0 HA ILE A 97 8.265 4.965 1.595 1.00 0.00 H new ATOM 0 HB ILE A 97 11.170 4.899 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.621 3.909 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.995 2.941 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.407 6.498 4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.181 7.138 2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.787 6.508 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.004 3.300 5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.416 4.079 5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.021 5.062 5.510 1.00 0.00 H new ATOM 1464 N ALA A 98 10.981 5.599 -0.185 1.00 0.00 N ATOM 1465 CA ALA A 98 11.553 6.506 -1.172 1.00 0.00 C ATOM 1466 C ALA A 98 10.554 6.809 -2.283 1.00 0.00 C ATOM 1467 O ALA A 98 10.192 7.965 -2.509 1.00 0.00 O ATOM 1468 CB ALA A 98 12.830 5.917 -1.753 1.00 0.00 C ATOM 0 H ALA A 98 11.551 4.776 0.011 1.00 0.00 H new ATOM 0 HA ALA A 98 11.794 7.443 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.246 6.605 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.554 5.759 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.606 4.965 -2.233 1.00 0.00 H new ATOM 1474 N LEU A 99 10.112 5.765 -2.976 1.00 0.00 N ATOM 1475 CA LEU A 99 9.155 5.920 -4.066 1.00 0.00 C ATOM 1476 C LEU A 99 8.117 6.987 -3.731 1.00 0.00 C ATOM 1477 O LEU A 99 7.655 7.716 -4.610 1.00 0.00 O ATOM 1478 CB LEU A 99 8.459 4.588 -4.353 1.00 0.00 C ATOM 1479 CG LEU A 99 9.378 3.393 -4.612 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.567 2.113 -4.738 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.212 3.624 -5.863 1.00 0.00 C ATOM 0 H LEU A 99 10.401 4.802 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 99 9.701 6.236 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.814 4.348 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.812 4.718 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 99 10.054 3.288 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.238 1.274 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.014 1.940 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.867 2.206 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.860 2.764 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.552 3.756 -6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.822 4.518 -5.734 1.00 0.00 H new ATOM 1493 N LEU A 100 7.756 7.074 -2.456 1.00 0.00 N ATOM 1494 CA LEU A 100 6.774 8.054 -2.004 1.00 0.00 C ATOM 1495 C LEU A 100 7.411 9.431 -1.847 1.00 0.00 C ATOM 1496 O LEU A 100 7.056 10.373 -2.555 1.00 0.00 O ATOM 1497 CB LEU A 100 6.156 7.611 -0.677 1.00 0.00 C ATOM 1498 CG LEU A 100 5.334 6.322 -0.716 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.229 5.714 0.674 1.00 0.00 C ATOM 1500 CD2 LEU A 100 3.950 6.589 -1.290 1.00 0.00 C ATOM 0 H LEU A 100 8.128 6.478 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 100 5.990 8.121 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.958 7.485 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.517 8.415 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 100 5.843 5.609 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.641 4.798 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.227 5.486 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.744 6.422 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.379 5.661 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.433 7.320 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.045 6.978 -2.304 1.00 0.00 H new ATOM 1512 N GLN A 101 8.354 9.538 -0.917 1.00 0.00 N ATOM 1513 CA GLN A 101 9.042 10.800 -0.669 1.00 0.00 C ATOM 1514 C GLN A 101 9.650 11.351 -1.955 1.00 0.00 C ATOM 1515 O GLN A 101 10.032 12.518 -2.020 1.00 0.00 O ATOM 1516 CB GLN A 101 10.134 10.611 0.385 1.00 0.00 C ATOM 1517 CG GLN A 101 9.607 10.134 1.729 1.00 0.00 C ATOM 1518 CD GLN A 101 10.492 10.553 2.885 1.00 0.00 C ATOM 1519 OE1 GLN A 101 10.560 11.732 3.235 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.177 9.588 3.487 1.00 0.00 N ATOM 0 H GLN A 101 8.659 8.767 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 101 8.310 11.517 -0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.864 9.892 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.660 11.556 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.603 10.530 1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.522 9.047 1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.091 8.624 3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.789 9.811 4.272 1.00 0.00 H new ATOM 1529 N GLN A 102 9.735 10.502 -2.974 1.00 0.00 N ATOM 1530 CA GLN A 102 10.298 10.904 -4.258 1.00 0.00 C ATOM 1531 C GLN A 102 9.193 11.207 -5.265 1.00 0.00 C ATOM 1532 O GLN A 102 9.044 12.343 -5.717 1.00 0.00 O ATOM 1533 CB GLN A 102 11.215 9.809 -4.802 1.00 0.00 C ATOM 1534 CG GLN A 102 12.551 9.720 -4.082 1.00 0.00 C ATOM 1535 CD GLN A 102 13.593 8.956 -4.876 1.00 0.00 C ATOM 1536 OE1 GLN A 102 14.670 9.476 -5.170 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.277 7.715 -5.228 1.00 0.00 N ATOM 0 H GLN A 102 9.421 9.532 -2.936 1.00 0.00 H new ATOM 0 HA GLN A 102 10.882 11.811 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.705 8.849 -4.725 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.394 9.990 -5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.919 10.726 -3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.407 9.234 -3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.373 7.324 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.938 7.153 -5.764 1.00 0.00 H new ATOM 1546 N THR A 103 8.421 10.182 -5.614 1.00 0.00 N ATOM 1547 CA THR A 103 7.331 10.338 -6.570 1.00 0.00 C ATOM 1548 C THR A 103 6.585 11.648 -6.345 1.00 0.00 C ATOM 1549 O THR A 103 6.241 11.993 -5.213 1.00 0.00 O ATOM 1550 CB THR A 103 6.332 9.169 -6.477 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.924 7.976 -7.003 1.00 0.00 O ATOM 1552 CG2 THR A 103 5.056 9.487 -7.241 1.00 0.00 C ATOM 0 H THR A 103 8.530 9.236 -5.249 1.00 0.00 H new ATOM 0 HA THR A 103 7.780 10.345 -7.563 1.00 0.00 H new ATOM 0 HB THR A 103 6.080 9.017 -5.427 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.437 7.194 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.365 8.647 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.593 10.379 -6.820 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.294 9.663 -8.290 1.00 0.00 H new ATOM 1560 N THR A 104 6.337 12.376 -7.429 1.00 0.00 N ATOM 1561 CA THR A 104 5.632 13.649 -7.349 1.00 0.00 C ATOM 1562 C THR A 104 4.502 13.716 -8.370 1.00 0.00 C ATOM 1563 O THR A 104 4.337 12.813 -9.189 1.00 0.00 O ATOM 1564 CB THR A 104 6.587 14.836 -7.579 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.599 14.474 -8.525 1.00 0.00 O ATOM 1566 CG2 THR A 104 7.237 15.268 -6.274 1.00 0.00 C ATOM 0 H THR A 104 6.614 12.106 -8.373 1.00 0.00 H new ATOM 0 HA THR A 104 5.215 13.717 -6.344 1.00 0.00 H new ATOM 0 HB THR A 104 6.006 15.671 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 104 8.201 15.234 -8.667 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.907 16.107 -6.461 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.466 15.571 -5.566 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.805 14.436 -5.858 1.00 0.00 H new ATOM 1574 N GLY A 105 3.725 14.794 -8.316 1.00 0.00 N ATOM 1575 CA GLY A 105 2.620 14.959 -9.242 1.00 0.00 C ATOM 1576 C GLY A 105 1.457 14.040 -8.927 1.00 0.00 C ATOM 1577 O GLY A 105 0.421 14.485 -8.433 1.00 0.00 O ATOM 0 H GLY A 105 3.841 15.556 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.279 15.994 -9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.968 14.765 -10.256 1.00 0.00 H new ATOM 1581 N SER A 106 1.627 12.753 -9.215 1.00 0.00 N ATOM 1582 CA SER A 106 0.581 11.769 -8.964 1.00 0.00 C ATOM 1583 C SER A 106 1.138 10.562 -8.217 1.00 0.00 C ATOM 1584 O SER A 106 2.304 10.199 -8.381 1.00 0.00 O ATOM 1585 CB SER A 106 -0.053 11.319 -10.282 1.00 0.00 C ATOM 1586 OG SER A 106 -1.402 10.930 -10.093 1.00 0.00 O ATOM 0 H SER A 106 2.479 12.368 -9.622 1.00 0.00 H new ATOM 0 HA SER A 106 -0.182 12.238 -8.343 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.004 12.130 -11.008 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.514 10.485 -10.696 1.00 0.00 H new ATOM 0 HG SER A 106 -1.784 10.649 -10.950 1.00 0.00 H new ATOM 1592 N LEU A 107 0.298 9.943 -7.395 1.00 0.00 N ATOM 1593 CA LEU A 107 0.705 8.775 -6.621 1.00 0.00 C ATOM 1594 C LEU A 107 -0.353 7.679 -6.690 1.00 0.00 C ATOM 1595 O LEU A 107 -1.542 7.937 -6.499 1.00 0.00 O ATOM 1596 CB LEU A 107 0.955 9.167 -5.163 1.00 0.00 C ATOM 1597 CG LEU A 107 1.582 8.090 -4.277 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.014 7.811 -4.708 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.536 8.510 -2.815 1.00 0.00 C ATOM 0 H LEU A 107 -0.669 10.230 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 107 1.629 8.389 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.603 10.043 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.005 9.466 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 107 1.005 7.172 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.444 7.042 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.022 7.467 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.603 8.724 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.986 7.732 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.089 9.440 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.500 8.659 -2.512 1.00 0.00 H new ATOM 1611 N ARG A 108 0.087 6.455 -6.963 1.00 0.00 N ATOM 1612 CA ARG A 108 -0.823 5.320 -7.057 1.00 0.00 C ATOM 1613 C ARG A 108 -0.387 4.196 -6.121 1.00 0.00 C ATOM 1614 O ARG A 108 0.512 3.418 -6.444 1.00 0.00 O ATOM 1615 CB ARG A 108 -0.883 4.805 -8.496 1.00 0.00 C ATOM 1616 CG ARG A 108 -1.547 3.444 -8.629 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.902 3.415 -7.941 1.00 0.00 C ATOM 1618 NE ARG A 108 -3.889 4.234 -8.641 1.00 0.00 N ATOM 1619 CZ ARG A 108 -4.499 3.854 -9.758 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -4.226 2.675 -10.298 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -5.385 4.655 -10.336 1.00 0.00 N ATOM 0 H ARG A 108 1.068 6.224 -7.123 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.816 5.656 -6.757 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.425 5.526 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.130 4.746 -8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.668 3.199 -9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.902 2.679 -8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.258 2.386 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.796 3.772 -6.916 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.122 5.147 -8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.546 2.057 -9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.696 2.386 -11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.598 5.563 -9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.853 4.363 -11.194 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.029 4.117 -4.961 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.708 3.088 -3.977 1.00 0.00 C ATOM 1637 C LEU A 109 -1.780 2.003 -3.955 1.00 0.00 C ATOM 1638 O LEU A 109 -2.968 2.293 -3.808 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.566 3.710 -2.587 1.00 0.00 C ATOM 1640 CG LEU A 109 0.353 4.928 -2.488 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.329 5.501 -1.079 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.773 4.559 -2.891 1.00 0.00 C ATOM 0 H LEU A 109 -1.775 4.753 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 109 0.240 2.631 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.557 3.998 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.197 2.945 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.012 5.691 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.989 6.367 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.687 5.803 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.668 4.744 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.413 5.438 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.148 3.778 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.777 4.196 -3.919 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.352 0.753 -4.098 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.276 -0.375 -4.091 1.00 0.00 C ATOM 1656 C ILE A 110 -2.195 -1.142 -2.776 1.00 0.00 C ATOM 1657 O ILE A 110 -1.262 -1.913 -2.550 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.992 -1.342 -5.255 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.018 -0.592 -6.588 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -3.005 -2.477 -5.259 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.513 -1.414 -7.754 1.00 0.00 C ATOM 0 H ILE A 110 -0.373 0.496 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.279 0.036 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.998 -1.769 -5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.039 -0.271 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.412 0.310 -6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.791 -3.152 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.942 -3.025 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.009 -2.068 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.560 -0.819 -8.666 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.481 -1.713 -7.569 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.133 -2.303 -7.868 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.181 -0.927 -1.910 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.224 -1.601 -0.618 1.00 0.00 C ATOM 1675 C VAL A 111 -4.270 -2.709 -0.610 1.00 0.00 C ATOM 1676 O VAL A 111 -5.226 -2.680 -1.385 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.532 -0.611 0.521 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.496 0.502 0.556 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -4.934 -0.041 0.366 1.00 0.00 C ATOM 0 H VAL A 111 -3.960 -0.291 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.238 -2.036 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.485 -1.148 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.730 1.192 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.507 0.073 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.507 1.040 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.135 0.657 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.011 0.481 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.662 -0.852 0.395 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.083 -3.686 0.272 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.013 -4.804 0.382 1.00 0.00 C ATOM 1691 C ALA A 112 -5.889 -4.668 1.623 1.00 0.00 C ATOM 1692 O ALA A 112 -5.607 -3.860 2.508 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.253 -6.121 0.412 1.00 0.00 C ATOM 0 H ALA A 112 -3.297 -3.726 0.920 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.663 -4.792 -0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.959 -6.947 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.675 -6.228 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.579 -6.133 1.269 1.00 0.00 H new ATOM 1699 N ARG A 113 -6.952 -5.464 1.681 1.00 0.00 N ATOM 1700 CA ARG A 113 -7.870 -5.431 2.813 1.00 0.00 C ATOM 1701 C ARG A 113 -8.370 -6.833 3.148 1.00 0.00 C ATOM 1702 O ARG A 113 -8.658 -7.629 2.256 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.057 -4.514 2.507 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.684 -3.286 1.694 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.595 -2.110 2.011 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.573 -1.101 0.956 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.917 0.168 1.146 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -10.307 0.581 2.344 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -9.871 1.028 0.135 1.00 0.00 N ATOM 0 H ARG A 113 -7.199 -6.139 0.957 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.330 -5.041 3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.814 -5.082 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.510 -4.194 3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.649 -3.012 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.746 -3.519 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.615 -2.468 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.287 -1.656 2.953 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.277 -1.386 0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.344 -0.076 3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.570 1.556 2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.571 0.714 -0.788 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.135 2.002 0.282 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.469 -7.126 4.441 1.00 0.00 N ATOM 1724 CA GLU A 114 -8.932 -8.433 4.894 1.00 0.00 C ATOM 1725 C GLU A 114 -10.450 -8.449 5.045 1.00 0.00 C ATOM 1726 O GLU A 114 -11.067 -7.476 5.479 1.00 0.00 O ATOM 1727 CB GLU A 114 -8.272 -8.800 6.225 1.00 0.00 C ATOM 1728 CG GLU A 114 -8.802 -10.088 6.832 1.00 0.00 C ATOM 1729 CD GLU A 114 -8.655 -10.125 8.341 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -9.453 -9.457 9.030 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -7.742 -10.822 8.831 1.00 0.00 O ATOM 0 H GLU A 114 -8.235 -6.477 5.192 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.651 -9.170 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.197 -8.895 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.424 -7.985 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.854 -10.203 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.271 -10.935 6.398 1.00 0.00 H new