USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 16 LYS NZ :NH3+ 179:sc= 1.69 (180deg=1.6) USER MOD Set 1.2: A 90 TYR OH : rot -119:sc= 1.16 USER MOD Set 2.1: A 35 GLN : amide:sc= -0.508 X(o=-1,f=-0.95) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= -0.513 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -143:sc= 0.0437 (180deg=0) USER MOD Set 3.2: A 26 GLN : amide:sc= -1.66 K(o=-1.6,f=-4.4!) USER MOD Single : A 10 LYS NZ :NH3+ 134:sc= -1.54! (180deg=-3.54!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.4) USER MOD Single : A 23 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.8!) USER MOD Single : A 25 GLN : amide:sc= -1.56! C(o=-1.6!,f=-2.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.6!) USER MOD Single : A 50 CYS SG : rot 34:sc= 0.285 USER MOD Single : A 51 MET CE :methyl -179:sc= -1.33 (180deg=-1.34) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 130:sc= -9.8! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -35:sc= -0.54 USER MOD Single : A 93 MET CE :methyl -126:sc= -7.85! (180deg=-11!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 100 MET CE :methyl -118:sc= -0.85 (180deg=-2.13!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -5.837 8.725 9.054 1.00 0.00 N ATOM 81 CA ILE A 9 -7.202 8.230 9.100 1.00 0.00 C ATOM 82 C ILE A 9 -7.185 6.724 9.366 1.00 0.00 C ATOM 83 O ILE A 9 -7.789 6.253 10.329 1.00 0.00 O ATOM 84 CB ILE A 9 -7.957 8.622 7.828 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.128 10.139 7.736 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.296 7.888 7.737 1.00 0.00 C ATOM 87 CD1 ILE A 9 -7.613 10.669 6.397 1.00 0.00 C ATOM 0 HA ILE A 9 -7.748 8.693 9.922 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.361 8.313 6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.180 10.398 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.589 10.619 8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.812 8.185 6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.121 6.812 7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.910 8.143 8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.747 11.750 6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.554 10.430 6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.170 10.205 5.583 1.00 0.00 H new ATOM 99 N LYS A 10 -6.488 6.009 8.495 1.00 0.00 N ATOM 100 CA LYS A 10 -6.385 4.565 8.624 1.00 0.00 C ATOM 101 C LYS A 10 -4.909 4.169 8.703 1.00 0.00 C ATOM 102 O LYS A 10 -4.113 4.555 7.848 1.00 0.00 O ATOM 103 CB LYS A 10 -7.149 3.870 7.496 1.00 0.00 C ATOM 104 CG LYS A 10 -6.891 2.362 7.506 1.00 0.00 C ATOM 105 CD LYS A 10 -8.199 1.581 7.358 1.00 0.00 C ATOM 106 CE LYS A 10 -7.963 0.080 7.530 1.00 0.00 C ATOM 107 NZ LYS A 10 -8.562 -0.398 8.796 1.00 0.00 N ATOM 0 H LYS A 10 -5.989 6.403 7.697 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.855 4.230 9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.217 4.060 7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.846 4.288 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.213 2.100 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.398 2.080 8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.919 1.927 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.633 1.775 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.397 -0.461 6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.893 -0.129 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.092 -1.275 8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.809 -0.582 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.207 0.327 9.170 1.00 0.00 H new ATOM 121 N MET A 11 -4.589 3.403 9.736 1.00 0.00 N ATOM 122 CA MET A 11 -3.223 2.950 9.937 1.00 0.00 C ATOM 123 C MET A 11 -3.176 1.439 10.173 1.00 0.00 C ATOM 124 O MET A 11 -3.909 0.914 11.009 1.00 0.00 O ATOM 125 CB MET A 11 -2.617 3.674 11.140 1.00 0.00 C ATOM 126 CG MET A 11 -2.836 5.185 11.039 1.00 0.00 C ATOM 127 SD MET A 11 -3.352 5.835 12.619 1.00 0.00 S ATOM 128 CE MET A 11 -4.797 6.756 12.118 1.00 0.00 C ATOM 0 H MET A 11 -5.252 3.085 10.443 1.00 0.00 H new ATOM 0 HA MET A 11 -2.649 3.177 9.039 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.067 3.299 12.059 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.550 3.461 11.197 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.916 5.673 10.719 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.591 5.401 10.283 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.247 7.230 12.990 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.509 7.521 11.397 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.519 6.080 11.660 1.00 0.00 H new ATOM 138 N GLY A 12 -2.305 0.782 9.420 1.00 0.00 N ATOM 139 CA GLY A 12 -2.153 -0.658 9.537 1.00 0.00 C ATOM 140 C GLY A 12 -0.912 -1.141 8.783 1.00 0.00 C ATOM 141 O GLY A 12 -0.291 -0.375 8.047 1.00 0.00 O ATOM 0 H GLY A 12 -1.698 1.220 8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.075 -0.935 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.039 -1.154 9.142 1.00 0.00 H new ATOM 145 N TRP A 13 -0.588 -2.408 8.991 1.00 0.00 N ATOM 146 CA TRP A 13 0.567 -3.002 8.340 1.00 0.00 C ATOM 147 C TRP A 13 0.088 -3.684 7.057 1.00 0.00 C ATOM 148 O TRP A 13 -0.830 -4.502 7.090 1.00 0.00 O ATOM 149 CB TRP A 13 1.300 -3.956 9.286 1.00 0.00 C ATOM 150 CG TRP A 13 2.295 -3.264 10.220 1.00 0.00 C ATOM 151 CD1 TRP A 13 2.065 -2.250 11.065 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.695 -3.579 10.370 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.210 -1.890 11.746 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.233 -2.724 11.310 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.482 -4.555 9.733 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.578 -2.757 11.697 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.824 -4.576 10.131 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.380 -3.721 11.075 1.00 0.00 C ATOM 0 H TRP A 13 -1.105 -3.040 9.602 1.00 0.00 H new ATOM 0 HA TRP A 13 1.297 -2.236 8.076 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.565 -4.491 9.887 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.831 -4.701 8.694 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.104 -1.774 11.197 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.291 -1.148 12.441 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.083 -5.235 8.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.975 -2.076 12.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.473 -5.308 9.672 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.427 -3.800 11.328 1.00 0.00 H new ATOM 169 N LEU A 14 0.732 -3.322 5.957 1.00 0.00 N ATOM 170 CA LEU A 14 0.383 -3.888 4.665 1.00 0.00 C ATOM 171 C LEU A 14 1.644 -4.441 3.998 1.00 0.00 C ATOM 172 O LEU A 14 2.730 -3.886 4.158 1.00 0.00 O ATOM 173 CB LEU A 14 -0.362 -2.859 3.812 1.00 0.00 C ATOM 174 CG LEU A 14 -1.869 -2.752 4.055 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.448 -1.511 3.372 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.586 -4.032 3.621 1.00 0.00 C ATOM 0 H LEU A 14 1.493 -2.644 5.934 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.306 -4.724 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.085 -1.880 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.200 -3.101 2.762 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.035 -2.637 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.520 -1.459 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.966 -0.618 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.271 -1.571 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.656 -3.930 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.415 -4.203 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.199 -4.877 4.191 1.00 0.00 H new ATOM 188 N LYS A 15 1.458 -5.530 3.265 1.00 0.00 N ATOM 189 CA LYS A 15 2.567 -6.164 2.574 1.00 0.00 C ATOM 190 C LYS A 15 2.790 -5.468 1.230 1.00 0.00 C ATOM 191 O LYS A 15 2.029 -5.675 0.286 1.00 0.00 O ATOM 192 CB LYS A 15 2.332 -7.671 2.454 1.00 0.00 C ATOM 193 CG LYS A 15 3.212 -8.444 3.439 1.00 0.00 C ATOM 194 CD LYS A 15 3.074 -9.953 3.231 1.00 0.00 C ATOM 195 CE LYS A 15 2.248 -10.588 4.352 1.00 0.00 C ATOM 196 NZ LYS A 15 2.952 -11.763 4.912 1.00 0.00 N ATOM 0 H LYS A 15 0.556 -5.988 3.135 1.00 0.00 H new ATOM 0 HA LYS A 15 3.487 -6.052 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.283 -7.895 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.547 -7.996 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.253 -8.149 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.932 -8.187 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.600 -10.149 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.063 -10.411 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.068 -9.855 5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.273 -10.889 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.260 -12.501 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.624 -12.132 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.468 -11.482 5.770 1.00 0.00 H new ATOM 210 N LYS A 16 3.837 -4.657 1.186 1.00 0.00 N ATOM 211 CA LYS A 16 4.170 -3.929 -0.026 1.00 0.00 C ATOM 212 C LYS A 16 5.236 -4.704 -0.805 1.00 0.00 C ATOM 213 O LYS A 16 6.287 -5.038 -0.260 1.00 0.00 O ATOM 214 CB LYS A 16 4.574 -2.492 0.305 1.00 0.00 C ATOM 215 CG LYS A 16 5.075 -1.761 -0.942 1.00 0.00 C ATOM 216 CD LYS A 16 6.063 -0.654 -0.569 1.00 0.00 C ATOM 217 CE LYS A 16 5.853 0.585 -1.442 1.00 0.00 C ATOM 218 NZ LYS A 16 6.964 1.545 -1.257 1.00 0.00 N ATOM 0 H LYS A 16 4.466 -4.488 1.971 1.00 0.00 H new ATOM 0 HA LYS A 16 3.297 -3.848 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.721 -1.959 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.354 -2.496 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.556 -2.471 -1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.230 -1.333 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.938 -0.389 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.084 -1.018 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.789 0.292 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.907 1.061 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.814 2.372 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.996 1.851 -0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.864 1.087 -1.508 1.00 0.00 H new ATOM 232 N GLN A 17 4.928 -4.967 -2.066 1.00 0.00 N ATOM 233 CA GLN A 17 5.846 -5.695 -2.925 1.00 0.00 C ATOM 234 C GLN A 17 7.209 -5.001 -2.955 1.00 0.00 C ATOM 235 O GLN A 17 7.311 -3.813 -2.650 1.00 0.00 O ATOM 236 CB GLN A 17 5.275 -5.844 -4.336 1.00 0.00 C ATOM 237 CG GLN A 17 6.032 -6.917 -5.123 1.00 0.00 C ATOM 238 CD GLN A 17 5.094 -7.663 -6.074 1.00 0.00 C ATOM 239 OE1 GLN A 17 4.524 -7.101 -6.994 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.966 -8.959 -5.800 1.00 0.00 N ATOM 0 H GLN A 17 4.055 -4.689 -2.514 1.00 0.00 H new ATOM 0 HA GLN A 17 5.979 -6.696 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.219 -6.107 -4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.338 -4.891 -4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.839 -6.455 -5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.492 -7.623 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.472 -9.366 -5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.362 -9.545 -6.376 1.00 0.00 H new ATOM 341 N ASN A 23 9.010 -9.721 -3.612 1.00 0.00 N ATOM 342 CA ASN A 23 8.801 -10.152 -2.241 1.00 0.00 C ATOM 343 C ASN A 23 7.752 -9.253 -1.582 1.00 0.00 C ATOM 344 O ASN A 23 7.564 -8.109 -1.992 1.00 0.00 O ATOM 345 CB ASN A 23 10.092 -10.046 -1.427 1.00 0.00 C ATOM 346 CG ASN A 23 10.542 -11.422 -0.931 1.00 0.00 C ATOM 347 OD1 ASN A 23 9.759 -12.348 -0.797 1.00 0.00 O ATOM 348 ND2 ASN A 23 11.843 -11.503 -0.666 1.00 0.00 N ATOM 0 HA ASN A 23 8.471 -11.191 -2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.877 -9.602 -2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.937 -9.382 -0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.241 -12.379 -0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.442 -10.689 -0.800 1.00 0.00 H new ATOM 355 N TRP A 24 7.097 -9.805 -0.571 1.00 0.00 N ATOM 356 CA TRP A 24 6.073 -9.068 0.149 1.00 0.00 C ATOM 357 C TRP A 24 6.669 -8.606 1.480 1.00 0.00 C ATOM 358 O TRP A 24 6.877 -9.413 2.384 1.00 0.00 O ATOM 359 CB TRP A 24 4.809 -9.912 0.321 1.00 0.00 C ATOM 360 CG TRP A 24 4.167 -10.349 -0.998 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.326 -11.510 -1.648 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.253 -9.578 -1.806 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.584 -11.544 -2.811 1.00 0.00 N ATOM 364 CE2 TRP A 24 2.911 -10.332 -2.910 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.733 -8.287 -1.611 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.035 -9.880 -3.905 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.859 -7.850 -2.614 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.504 -8.597 -3.731 1.00 0.00 C ATOM 0 H TRP A 24 7.256 -10.754 -0.234 1.00 0.00 H new ATOM 0 HA TRP A 24 5.762 -8.189 -0.416 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.054 -10.799 0.905 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.080 -9.342 0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.956 -12.318 -1.305 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.538 -12.316 -3.476 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.987 -7.680 -0.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.783 -10.489 -4.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.431 -6.864 -2.513 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.821 -8.189 -4.462 1.00 0.00 H new ATOM 379 N GLN A 25 6.929 -7.309 1.557 1.00 0.00 N ATOM 380 CA GLN A 25 7.497 -6.730 2.763 1.00 0.00 C ATOM 381 C GLN A 25 6.399 -6.086 3.611 1.00 0.00 C ATOM 382 O GLN A 25 5.840 -5.058 3.233 1.00 0.00 O ATOM 383 CB GLN A 25 8.591 -5.717 2.421 1.00 0.00 C ATOM 384 CG GLN A 25 9.941 -6.412 2.230 1.00 0.00 C ATOM 385 CD GLN A 25 10.660 -6.591 3.569 1.00 0.00 C ATOM 386 OE1 GLN A 25 10.143 -7.177 4.506 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.877 -6.055 3.606 1.00 0.00 N ATOM 0 H GLN A 25 6.757 -6.643 0.804 1.00 0.00 H new ATOM 0 HA GLN A 25 7.956 -7.529 3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.323 -5.180 1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.668 -4.977 3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.790 -7.384 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.564 -5.826 1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.249 -5.578 2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.438 -6.121 4.455 1.00 0.00 H new ATOM 396 N GLN A 26 6.123 -6.718 4.743 1.00 0.00 N ATOM 397 CA GLN A 26 5.102 -6.219 5.648 1.00 0.00 C ATOM 398 C GLN A 26 5.538 -4.885 6.257 1.00 0.00 C ATOM 399 O GLN A 26 6.295 -4.859 7.226 1.00 0.00 O ATOM 400 CB GLN A 26 4.789 -7.244 6.740 1.00 0.00 C ATOM 401 CG GLN A 26 3.286 -7.302 7.023 1.00 0.00 C ATOM 402 CD GLN A 26 2.823 -8.746 7.230 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.591 -9.690 7.146 1.00 0.00 O ATOM 404 NE2 GLN A 26 1.527 -8.864 7.505 1.00 0.00 N ATOM 0 H GLN A 26 6.589 -7.571 5.054 1.00 0.00 H new ATOM 0 HA GLN A 26 4.188 -6.054 5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.143 -8.228 6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.325 -6.983 7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.056 -6.712 7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.738 -6.856 6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.940 -8.032 7.561 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.121 -9.787 7.660 1.00 0.00 H new ATOM 413 N ARG A 27 5.041 -3.809 5.664 1.00 0.00 N ATOM 414 CA ARG A 27 5.370 -2.475 6.136 1.00 0.00 C ATOM 415 C ARG A 27 4.175 -1.862 6.869 1.00 0.00 C ATOM 416 O ARG A 27 3.110 -2.472 6.946 1.00 0.00 O ATOM 417 CB ARG A 27 5.769 -1.563 4.974 1.00 0.00 C ATOM 418 CG ARG A 27 7.070 -0.819 5.283 1.00 0.00 C ATOM 419 CD ARG A 27 8.283 -1.601 4.776 1.00 0.00 C ATOM 420 NE ARG A 27 8.917 -2.333 5.896 1.00 0.00 N ATOM 421 CZ ARG A 27 9.879 -3.253 5.742 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.322 -3.561 4.516 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.396 -3.867 6.815 1.00 0.00 N ATOM 0 H ARG A 27 4.413 -3.834 4.861 1.00 0.00 H new ATOM 0 HA ARG A 27 6.214 -2.564 6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.891 -2.156 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.972 -0.845 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.048 0.167 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.157 -0.663 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.976 -2.302 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.002 -0.919 4.323 1.00 0.00 H new ATOM 0 HE ARG A 27 8.602 -2.124 6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.927 -3.095 3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.054 -4.261 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.057 -3.634 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.128 -4.567 6.698 1.00 0.00 H new ATOM 437 N TYR A 28 4.393 -0.663 7.389 1.00 0.00 N ATOM 438 CA TYR A 28 3.347 0.039 8.113 1.00 0.00 C ATOM 439 C TYR A 28 2.826 1.230 7.306 1.00 0.00 C ATOM 440 O TYR A 28 3.493 2.259 7.209 1.00 0.00 O ATOM 441 CB TYR A 28 3.998 0.555 9.398 1.00 0.00 C ATOM 442 CG TYR A 28 3.017 1.206 10.375 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.657 1.085 10.171 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.491 1.914 11.461 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.734 1.698 11.090 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.567 2.527 12.380 1.00 0.00 C ATOM 447 CZ TYR A 28 1.234 2.388 12.149 1.00 0.00 C ATOM 448 OH TYR A 28 0.362 2.967 13.018 1.00 0.00 O ATOM 0 H TYR A 28 5.278 -0.160 7.323 1.00 0.00 H new ATOM 0 HA TYR A 28 2.504 -0.624 8.308 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.497 -0.275 9.899 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.769 1.280 9.137 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.286 0.530 9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.555 2.008 11.622 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.332 1.612 10.941 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.925 3.084 13.233 1.00 0.00 H new ATOM 0 HH TYR A 28 0.861 3.425 13.726 1.00 0.00 H new ATOM 458 N PHE A 29 1.638 1.051 6.748 1.00 0.00 N ATOM 459 CA PHE A 29 1.019 2.098 5.953 1.00 0.00 C ATOM 460 C PHE A 29 0.065 2.940 6.802 1.00 0.00 C ATOM 461 O PHE A 29 -0.563 2.430 7.728 1.00 0.00 O ATOM 462 CB PHE A 29 0.221 1.406 4.846 1.00 0.00 C ATOM 463 CG PHE A 29 1.058 1.018 3.625 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.863 -0.077 3.671 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.996 1.769 2.492 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.639 -0.436 2.538 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.773 1.410 1.359 1.00 0.00 C ATOM 468 CZ PHE A 29 2.578 0.315 1.406 1.00 0.00 C ATOM 0 H PHE A 29 1.087 0.196 6.831 1.00 0.00 H new ATOM 0 HA PHE A 29 1.785 2.761 5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.245 0.509 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.585 2.066 4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.912 -0.674 4.570 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.356 2.638 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.278 -1.306 2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.725 2.007 0.460 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.169 0.042 0.544 1.00 0.00 H new ATOM 478 N VAL A 30 -0.013 4.217 6.456 1.00 0.00 N ATOM 479 CA VAL A 30 -0.879 5.135 7.175 1.00 0.00 C ATOM 480 C VAL A 30 -1.548 6.084 6.179 1.00 0.00 C ATOM 481 O VAL A 30 -0.884 6.644 5.308 1.00 0.00 O ATOM 482 CB VAL A 30 -0.083 5.869 8.256 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.744 7.201 8.616 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.094 4.991 9.497 1.00 0.00 C ATOM 0 H VAL A 30 0.510 4.637 5.687 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.671 4.589 7.688 1.00 0.00 H new ATOM 0 HB VAL A 30 0.907 6.085 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.158 7.702 9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.794 7.834 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.752 7.018 8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.663 5.536 10.250 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.884 4.729 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.630 4.081 9.226 1.00 0.00 H new ATOM 494 N LEU A 31 -2.854 6.236 6.340 1.00 0.00 N ATOM 495 CA LEU A 31 -3.620 7.108 5.466 1.00 0.00 C ATOM 496 C LEU A 31 -3.789 8.474 6.134 1.00 0.00 C ATOM 497 O LEU A 31 -3.960 8.557 7.349 1.00 0.00 O ATOM 498 CB LEU A 31 -4.944 6.446 5.076 1.00 0.00 C ATOM 499 CG LEU A 31 -5.337 6.551 3.601 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.110 5.310 3.151 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.116 7.840 3.331 1.00 0.00 C ATOM 0 H LEU A 31 -3.402 5.770 7.063 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.085 7.275 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.892 5.391 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.739 6.888 5.676 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.424 6.596 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.378 5.410 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.488 4.425 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.016 5.210 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.383 7.889 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.023 7.850 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.498 8.700 3.590 1.00 0.00 H new ATOM 513 N ARG A 32 -3.734 9.510 5.311 1.00 0.00 N ATOM 514 CA ARG A 32 -3.879 10.868 5.807 1.00 0.00 C ATOM 515 C ARG A 32 -4.877 11.645 4.946 1.00 0.00 C ATOM 516 O ARG A 32 -5.761 11.054 4.328 1.00 0.00 O ATOM 517 CB ARG A 32 -2.536 11.601 5.805 1.00 0.00 C ATOM 518 CG ARG A 32 -2.340 12.390 7.101 1.00 0.00 C ATOM 519 CD ARG A 32 -1.143 11.857 7.893 1.00 0.00 C ATOM 520 NE ARG A 32 -0.905 12.704 9.082 1.00 0.00 N ATOM 521 CZ ARG A 32 0.113 12.531 9.936 1.00 0.00 C ATOM 522 NH1 ARG A 32 0.993 11.541 9.737 1.00 0.00 N ATOM 523 NH2 ARG A 32 0.251 13.348 10.989 1.00 0.00 N ATOM 0 H ARG A 32 -3.591 9.437 4.304 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.247 10.809 6.831 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.725 10.882 5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.488 12.278 4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.187 13.444 6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.242 12.325 7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.329 10.828 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.255 11.845 7.261 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.557 13.468 9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.888 10.919 8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.768 11.409 10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.419 14.102 11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.026 13.216 11.639 1.00 0.00 H new ATOM 537 N ALA A 33 -4.701 12.958 4.932 1.00 0.00 N ATOM 538 CA ALA A 33 -5.575 13.822 4.157 1.00 0.00 C ATOM 539 C ALA A 33 -5.114 13.831 2.698 1.00 0.00 C ATOM 540 O ALA A 33 -3.997 14.251 2.400 1.00 0.00 O ATOM 541 CB ALA A 33 -5.587 15.222 4.773 1.00 0.00 C ATOM 0 H ALA A 33 -3.966 13.445 5.445 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.599 13.448 4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.243 15.870 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.950 15.165 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.576 15.630 4.768 1.00 0.00 H new ATOM 547 N GLN A 34 -5.997 13.362 1.829 1.00 0.00 N ATOM 548 CA GLN A 34 -5.693 13.310 0.409 1.00 0.00 C ATOM 549 C GLN A 34 -4.219 12.963 0.193 1.00 0.00 C ATOM 550 O GLN A 34 -3.547 13.581 -0.632 1.00 0.00 O ATOM 551 CB GLN A 34 -6.052 14.630 -0.277 1.00 0.00 C ATOM 552 CG GLN A 34 -7.556 14.901 -0.193 1.00 0.00 C ATOM 553 CD GLN A 34 -7.946 16.101 -1.058 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.320 15.971 -2.213 1.00 0.00 O ATOM 555 NE2 GLN A 34 -7.839 17.273 -0.439 1.00 0.00 N ATOM 0 H GLN A 34 -6.923 13.015 2.080 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.300 12.526 -0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.505 15.448 0.192 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.743 14.597 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.107 14.019 -0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.838 15.088 0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.520 17.311 0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.076 18.134 -0.932 1.00 0.00 H new ATOM 564 N GLN A 35 -3.760 11.976 0.948 1.00 0.00 N ATOM 565 CA GLN A 35 -2.377 11.540 0.850 1.00 0.00 C ATOM 566 C GLN A 35 -2.199 10.184 1.535 1.00 0.00 C ATOM 567 O GLN A 35 -2.948 9.843 2.449 1.00 0.00 O ATOM 568 CB GLN A 35 -1.429 12.583 1.444 1.00 0.00 C ATOM 569 CG GLN A 35 -0.787 13.431 0.344 1.00 0.00 C ATOM 570 CD GLN A 35 0.440 14.177 0.872 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.576 13.841 0.581 1.00 0.00 O ATOM 572 NE2 GLN A 35 0.148 15.205 1.663 1.00 0.00 N ATOM 0 H GLN A 35 -4.321 11.466 1.630 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.126 11.429 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.977 13.227 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.652 12.085 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.497 12.792 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.514 14.146 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.826 15.432 1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.897 15.767 2.067 1.00 0.00 H new ATOM 581 N LEU A 36 -1.203 9.446 1.066 1.00 0.00 N ATOM 582 CA LEU A 36 -0.916 8.135 1.623 1.00 0.00 C ATOM 583 C LEU A 36 0.575 8.039 1.951 1.00 0.00 C ATOM 584 O LEU A 36 1.416 8.474 1.165 1.00 0.00 O ATOM 585 CB LEU A 36 -1.411 7.034 0.682 1.00 0.00 C ATOM 586 CG LEU A 36 -1.092 5.598 1.103 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.418 5.355 1.122 1.00 0.00 C ATOM 588 CD2 LEU A 36 -1.744 5.264 2.446 1.00 0.00 C ATOM 0 H LEU A 36 -0.585 9.731 0.306 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.457 7.992 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.492 7.130 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.981 7.206 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.517 4.921 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.617 4.327 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.827 5.526 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.888 6.039 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.502 4.238 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.370 5.944 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.825 5.372 2.362 1.00 0.00 H new ATOM 600 N TYR A 37 0.857 7.467 3.112 1.00 0.00 N ATOM 601 CA TYR A 37 2.232 7.309 3.553 1.00 0.00 C ATOM 602 C TYR A 37 2.501 5.872 4.007 1.00 0.00 C ATOM 603 O TYR A 37 1.567 5.101 4.222 1.00 0.00 O ATOM 604 CB TYR A 37 2.403 8.249 4.748 1.00 0.00 C ATOM 605 CG TYR A 37 1.910 9.675 4.493 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.562 9.919 4.325 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.813 10.716 4.431 1.00 0.00 C ATOM 608 CE1 TYR A 37 0.098 11.261 4.085 1.00 0.00 C ATOM 609 CE2 TYR A 37 2.349 12.058 4.191 1.00 0.00 C ATOM 610 CZ TYR A 37 1.015 12.265 4.030 1.00 0.00 C ATOM 611 OH TYR A 37 0.576 13.532 3.803 1.00 0.00 O ATOM 0 H TYR A 37 0.157 7.107 3.761 1.00 0.00 H new ATOM 0 HA TYR A 37 2.923 7.535 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.865 7.837 5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.457 8.284 5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.145 9.104 4.374 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.868 10.525 4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.954 11.466 3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.045 12.882 4.140 1.00 0.00 H new ATOM 0 HH TYR A 37 1.340 14.146 3.790 1.00 0.00 H new ATOM 621 N TYR A 38 3.781 5.557 4.140 1.00 0.00 N ATOM 622 CA TYR A 38 4.183 4.227 4.565 1.00 0.00 C ATOM 623 C TYR A 38 5.592 4.245 5.161 1.00 0.00 C ATOM 624 O TYR A 38 6.525 4.759 4.545 1.00 0.00 O ATOM 625 CB TYR A 38 4.188 3.364 3.301 1.00 0.00 C ATOM 626 CG TYR A 38 5.564 3.231 2.645 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.529 2.429 3.220 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.840 3.911 1.476 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.823 2.303 2.602 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.134 3.786 0.858 1.00 0.00 C ATOM 631 CZ TYR A 38 8.062 2.988 1.452 1.00 0.00 C ATOM 632 OH TYR A 38 9.285 2.869 0.868 1.00 0.00 O ATOM 0 H TYR A 38 4.553 6.199 3.961 1.00 0.00 H new ATOM 0 HA TYR A 38 3.505 3.846 5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.818 2.370 3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.492 3.791 2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.313 1.896 4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.085 4.537 1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.587 1.679 3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.363 4.314 -0.056 1.00 0.00 H new ATOM 0 HH TYR A 38 9.313 3.413 0.053 1.00 0.00 H new ATOM 642 N TYR A 39 5.703 3.678 6.353 1.00 0.00 N ATOM 643 CA TYR A 39 6.982 3.622 7.040 1.00 0.00 C ATOM 644 C TYR A 39 7.468 2.178 7.178 1.00 0.00 C ATOM 645 O TYR A 39 6.662 1.259 7.313 1.00 0.00 O ATOM 646 CB TYR A 39 6.738 4.202 8.435 1.00 0.00 C ATOM 647 CG TYR A 39 6.021 5.553 8.430 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.655 5.609 8.244 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.741 6.717 8.612 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.980 6.881 8.240 1.00 0.00 C ATOM 651 CE2 TYR A 39 6.066 7.989 8.608 1.00 0.00 C ATOM 652 CZ TYR A 39 4.719 8.009 8.422 1.00 0.00 C ATOM 653 OH TYR A 39 4.082 9.210 8.418 1.00 0.00 O ATOM 0 H TYR A 39 4.927 3.253 6.861 1.00 0.00 H new ATOM 0 HA TYR A 39 7.740 4.175 6.485 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.149 3.492 9.015 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.695 4.312 8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.092 4.699 8.101 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.810 6.673 8.757 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.911 6.938 8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.617 8.907 8.750 1.00 0.00 H new ATOM 0 HH TYR A 39 4.735 9.927 8.560 1.00 0.00 H new ATOM 789 N GLN A 48 8.282 7.515 4.213 1.00 0.00 N ATOM 790 CA GLN A 48 9.205 7.029 3.202 1.00 0.00 C ATOM 791 C GLN A 48 8.709 7.406 1.804 1.00 0.00 C ATOM 792 O GLN A 48 9.502 7.763 0.935 1.00 0.00 O ATOM 793 CB GLN A 48 9.404 5.517 3.323 1.00 0.00 C ATOM 794 CG GLN A 48 10.386 5.182 4.448 1.00 0.00 C ATOM 795 CD GLN A 48 11.785 5.715 4.133 1.00 0.00 C ATOM 796 OE1 GLN A 48 12.025 6.333 3.109 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.691 5.442 5.067 1.00 0.00 N ATOM 0 HA GLN A 48 10.173 7.504 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.446 5.035 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.777 5.119 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.032 5.612 5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.428 4.102 4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.422 4.920 5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.655 5.755 4.950 1.00 0.00 H new ATOM 806 N GLY A 49 7.398 7.313 1.632 1.00 0.00 N ATOM 807 CA GLY A 49 6.787 7.640 0.355 1.00 0.00 C ATOM 808 C GLY A 49 5.495 8.435 0.553 1.00 0.00 C ATOM 809 O GLY A 49 4.966 8.501 1.662 1.00 0.00 O ATOM 0 H GLY A 49 6.743 7.016 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.486 8.219 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.574 6.724 -0.195 1.00 0.00 H new ATOM 813 N CYS A 50 5.024 9.020 -0.539 1.00 0.00 N ATOM 814 CA CYS A 50 3.804 9.808 -0.499 1.00 0.00 C ATOM 815 C CYS A 50 3.030 9.563 -1.796 1.00 0.00 C ATOM 816 O CYS A 50 3.577 9.716 -2.887 1.00 0.00 O ATOM 817 CB CYS A 50 4.097 11.294 -0.281 1.00 0.00 C ATOM 818 SG CYS A 50 5.179 11.920 -1.618 1.00 0.00 S ATOM 0 H CYS A 50 5.466 8.964 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 50 3.195 9.497 0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.165 11.858 -0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.578 11.440 0.686 1.00 0.00 H new ATOM 0 HG CYS A 50 4.895 11.307 -2.729 1.00 0.00 H new ATOM 824 N MET A 51 1.770 9.186 -1.634 1.00 0.00 N ATOM 825 CA MET A 51 0.916 8.918 -2.778 1.00 0.00 C ATOM 826 C MET A 51 -0.391 9.706 -2.683 1.00 0.00 C ATOM 827 O MET A 51 -1.026 9.738 -1.629 1.00 0.00 O ATOM 828 CB MET A 51 0.607 7.421 -2.845 1.00 0.00 C ATOM 829 CG MET A 51 0.547 6.938 -4.296 1.00 0.00 C ATOM 830 SD MET A 51 2.154 6.355 -4.811 1.00 0.00 S ATOM 831 CE MET A 51 1.701 4.777 -5.513 1.00 0.00 C ATOM 0 H MET A 51 1.320 9.060 -0.727 1.00 0.00 H new ATOM 0 HA MET A 51 1.441 9.230 -3.681 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.371 6.864 -2.304 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.344 7.220 -2.351 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.187 6.138 -4.392 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.220 7.750 -4.945 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.596 4.267 -5.870 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.214 4.167 -4.752 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.016 4.933 -6.346 1.00 0.00 H new ATOM 841 N TYR A 52 -0.756 10.322 -3.798 1.00 0.00 N ATOM 842 CA TYR A 52 -1.977 11.108 -3.853 1.00 0.00 C ATOM 843 C TYR A 52 -3.179 10.230 -4.208 1.00 0.00 C ATOM 844 O TYR A 52 -3.329 9.812 -5.355 1.00 0.00 O ATOM 845 CB TYR A 52 -1.766 12.137 -4.965 1.00 0.00 C ATOM 846 CG TYR A 52 -2.411 13.496 -4.686 1.00 0.00 C ATOM 847 CD1 TYR A 52 -2.328 14.053 -3.426 1.00 0.00 C ATOM 848 CD2 TYR A 52 -3.074 14.166 -5.694 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.935 15.332 -3.163 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.680 15.445 -5.431 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.581 15.965 -4.178 1.00 0.00 C ATOM 852 OH TYR A 52 -4.153 17.174 -3.930 1.00 0.00 O ATOM 0 H TYR A 52 -0.228 10.293 -4.670 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.179 11.571 -2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.696 12.279 -5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.170 11.739 -5.896 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.808 13.530 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.138 13.731 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.878 15.778 -2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.202 15.980 -6.211 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.578 17.509 -4.747 1.00 0.00 H new ATOM 862 N LEU A 53 -4.004 9.977 -3.203 1.00 0.00 N ATOM 863 CA LEU A 53 -5.187 9.156 -3.395 1.00 0.00 C ATOM 864 C LEU A 53 -6.049 9.762 -4.504 1.00 0.00 C ATOM 865 O LEU A 53 -6.546 9.045 -5.372 1.00 0.00 O ATOM 866 CB LEU A 53 -5.931 8.970 -2.071 1.00 0.00 C ATOM 867 CG LEU A 53 -5.064 8.641 -0.855 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.929 8.345 0.372 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.097 7.496 -1.165 1.00 0.00 C ATOM 0 H LEU A 53 -3.877 10.326 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.906 8.154 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.488 9.883 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.663 8.172 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.460 9.517 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.287 8.114 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.541 9.217 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.576 7.493 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.492 7.282 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.663 6.606 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.446 7.783 -1.991 1.00 0.00 H new ATOM 881 N PRO A 54 -6.204 11.112 -4.439 1.00 0.00 N ATOM 882 CA PRO A 54 -6.996 11.823 -5.428 1.00 0.00 C ATOM 883 C PRO A 54 -6.243 11.939 -6.755 1.00 0.00 C ATOM 884 O PRO A 54 -5.486 12.886 -6.962 1.00 0.00 O ATOM 885 CB PRO A 54 -7.296 13.172 -4.795 1.00 0.00 C ATOM 886 CG PRO A 54 -6.278 13.345 -3.680 1.00 0.00 C ATOM 887 CD PRO A 54 -5.630 11.994 -3.427 1.00 0.00 C ATOM 0 HA PRO A 54 -7.919 11.302 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.213 13.974 -5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.313 13.202 -4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.526 14.082 -3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.762 13.712 -2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.546 12.051 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.844 11.634 -2.421 1.00 0.00 H new ATOM 895 N GLY A 55 -6.477 10.962 -7.618 1.00 0.00 N ATOM 896 CA GLY A 55 -5.830 10.942 -8.919 1.00 0.00 C ATOM 897 C GLY A 55 -5.066 9.634 -9.131 1.00 0.00 C ATOM 898 O GLY A 55 -4.444 9.436 -10.174 1.00 0.00 O ATOM 0 H GLY A 55 -7.106 10.178 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.578 11.062 -9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.144 11.785 -9.001 1.00 0.00 H new ATOM 902 N CYS A 56 -5.136 8.774 -8.125 1.00 0.00 N ATOM 903 CA CYS A 56 -4.458 7.491 -8.189 1.00 0.00 C ATOM 904 C CYS A 56 -5.392 6.488 -8.869 1.00 0.00 C ATOM 905 O CYS A 56 -6.519 6.826 -9.226 1.00 0.00 O ATOM 906 CB CYS A 56 -4.019 7.014 -6.803 1.00 0.00 C ATOM 907 SG CYS A 56 -2.404 6.160 -6.917 1.00 0.00 S ATOM 0 H CYS A 56 -5.652 8.941 -7.261 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.543 7.588 -8.774 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.943 7.863 -6.124 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.768 6.340 -6.387 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.592 6.647 -6.027 1.00 0.00 H new ATOM 913 N THR A 57 -4.888 5.272 -9.027 1.00 0.00 N ATOM 914 CA THR A 57 -5.663 4.217 -9.658 1.00 0.00 C ATOM 915 C THR A 57 -5.546 2.919 -8.858 1.00 0.00 C ATOM 916 O THR A 57 -4.557 2.198 -8.979 1.00 0.00 O ATOM 917 CB THR A 57 -5.188 4.084 -11.106 1.00 0.00 C ATOM 918 OG1 THR A 57 -5.852 5.144 -11.789 1.00 0.00 O ATOM 919 CG2 THR A 57 -5.718 2.817 -11.781 1.00 0.00 C ATOM 0 H THR A 57 -3.953 4.994 -8.729 1.00 0.00 H new ATOM 0 HA THR A 57 -6.726 4.459 -9.670 1.00 0.00 H new ATOM 0 HB THR A 57 -4.098 4.081 -11.131 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.599 5.132 -12.736 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.352 2.771 -12.807 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.373 1.941 -11.232 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.808 2.836 -11.785 1.00 0.00 H new ATOM 927 N ILE A 58 -6.570 2.660 -8.058 1.00 0.00 N ATOM 928 CA ILE A 58 -6.594 1.461 -7.238 1.00 0.00 C ATOM 929 C ILE A 58 -7.065 0.278 -8.086 1.00 0.00 C ATOM 930 O ILE A 58 -8.233 0.209 -8.468 1.00 0.00 O ATOM 931 CB ILE A 58 -7.435 1.689 -5.980 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.730 2.644 -5.015 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.793 0.360 -5.311 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.454 3.991 -4.950 1.00 0.00 C ATOM 0 H ILE A 58 -7.389 3.260 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.591 1.221 -6.884 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.371 2.163 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.692 2.199 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.700 2.796 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.391 0.551 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.364 -0.255 -6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.879 -0.164 -5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.933 4.651 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.469 4.444 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.477 3.838 -4.605 1.00 0.00 H new ATOM 946 N LYS A 59 -6.133 -0.624 -8.356 1.00 0.00 N ATOM 947 CA LYS A 59 -6.438 -1.801 -9.152 1.00 0.00 C ATOM 948 C LYS A 59 -6.195 -3.056 -8.312 1.00 0.00 C ATOM 949 O LYS A 59 -5.215 -3.132 -7.572 1.00 0.00 O ATOM 950 CB LYS A 59 -5.653 -1.778 -10.465 1.00 0.00 C ATOM 951 CG LYS A 59 -5.868 -0.458 -11.209 1.00 0.00 C ATOM 952 CD LYS A 59 -5.951 -0.687 -12.719 1.00 0.00 C ATOM 953 CE LYS A 59 -4.763 -1.513 -13.215 1.00 0.00 C ATOM 954 NZ LYS A 59 -4.937 -1.870 -14.641 1.00 0.00 N ATOM 0 H LYS A 59 -5.166 -0.564 -8.038 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.490 -1.806 -9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.591 -1.916 -10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.967 -2.610 -11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.785 0.016 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.050 0.227 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.882 -1.200 -12.962 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.972 0.273 -13.235 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.840 -0.947 -13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.668 -2.419 -12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.121 -2.430 -14.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.807 -2.428 -14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.005 -1.002 -15.210 1.00 0.00 H new ATOM 968 N GLU A 60 -7.103 -4.011 -8.455 1.00 0.00 N ATOM 969 CA GLU A 60 -7.000 -5.259 -7.719 1.00 0.00 C ATOM 970 C GLU A 60 -6.268 -6.310 -8.557 1.00 0.00 C ATOM 971 O GLU A 60 -6.847 -6.890 -9.474 1.00 0.00 O ATOM 972 CB GLU A 60 -8.381 -5.761 -7.294 1.00 0.00 C ATOM 973 CG GLU A 60 -9.024 -4.808 -6.285 1.00 0.00 C ATOM 974 CD GLU A 60 -10.493 -4.554 -6.629 1.00 0.00 C ATOM 975 OE1 GLU A 60 -10.753 -4.241 -7.811 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.322 -4.679 -5.702 1.00 0.00 O ATOM 0 H GLU A 60 -7.914 -3.945 -9.070 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.422 -5.077 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.023 -5.856 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.291 -6.755 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.949 -5.230 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.481 -3.863 -6.275 1.00 0.00 H new ATOM 983 N ILE A 61 -5.007 -6.523 -8.212 1.00 0.00 N ATOM 984 CA ILE A 61 -4.190 -7.493 -8.920 1.00 0.00 C ATOM 985 C ILE A 61 -4.703 -8.903 -8.618 1.00 0.00 C ATOM 986 O ILE A 61 -4.983 -9.231 -7.466 1.00 0.00 O ATOM 987 CB ILE A 61 -2.710 -7.293 -8.588 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.315 -5.820 -8.712 1.00 0.00 C ATOM 989 CG2 ILE A 61 -1.828 -8.198 -9.449 1.00 0.00 C ATOM 990 CD1 ILE A 61 -2.586 -5.297 -10.124 1.00 0.00 C ATOM 0 H ILE A 61 -4.531 -6.040 -7.450 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.273 -7.346 -9.997 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.550 -7.583 -7.549 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.874 -5.228 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.258 -5.702 -8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.781 -8.036 -9.193 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.089 -9.240 -9.267 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.984 -7.964 -10.502 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.297 -4.248 -10.185 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.007 -5.876 -10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.648 -5.394 -10.350 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.560 -11.358 -2.084 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.717 -9.962 -1.716 1.00 0.00 C ATOM 1125 C PHE A 71 -5.447 -9.167 -2.029 1.00 0.00 C ATOM 1126 O PHE A 71 -4.710 -8.786 -1.121 1.00 0.00 O ATOM 1127 CB PHE A 71 -6.970 -9.922 -0.208 1.00 0.00 C ATOM 1128 CG PHE A 71 -7.905 -11.024 0.295 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.098 -11.238 -0.323 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.544 -11.789 1.360 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -9.966 -12.260 0.143 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.412 -12.811 1.826 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.605 -13.026 1.208 1.00 0.00 C ATOM 0 HA PHE A 71 -7.539 -9.519 -2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.016 -10.004 0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.394 -8.952 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.385 -10.630 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.597 -11.619 1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.913 -12.430 -0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.125 -13.418 2.672 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.265 -13.804 1.563 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.231 -8.940 -3.316 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.064 -8.197 -3.760 1.00 0.00 C ATOM 1145 C VAL A 72 -4.516 -6.995 -4.593 1.00 0.00 C ATOM 1146 O VAL A 72 -5.282 -7.147 -5.543 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.110 -9.124 -4.516 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.752 -8.454 -4.732 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.953 -10.461 -3.788 1.00 0.00 C ATOM 0 H VAL A 72 -5.845 -9.258 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.510 -7.810 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.544 -9.325 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.093 -9.134 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.885 -7.541 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.309 -8.209 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.270 -11.101 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.553 -10.287 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.925 -10.949 -3.709 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.021 -5.828 -4.206 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.364 -4.602 -4.906 1.00 0.00 C ATOM 1161 C PHE A 73 -3.174 -3.642 -4.944 1.00 0.00 C ATOM 1162 O PHE A 73 -2.545 -3.385 -3.919 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.507 -3.948 -4.127 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.053 -3.179 -2.884 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.683 -3.856 -1.764 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -5.020 -1.820 -2.900 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.262 -3.142 -0.610 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.599 -1.106 -1.746 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.229 -1.783 -0.626 1.00 0.00 C ATOM 0 H PHE A 73 -3.386 -5.706 -3.417 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.648 -4.827 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.041 -3.266 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.216 -4.719 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.709 -4.936 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.314 -1.283 -3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.968 -3.679 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.573 -0.026 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.909 -1.241 0.251 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.900 -3.136 -6.138 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.797 -2.210 -6.324 1.00 0.00 C ATOM 1181 C GLU A 74 -2.326 -0.794 -6.557 1.00 0.00 C ATOM 1182 O GLU A 74 -3.426 -0.616 -7.079 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.895 -2.655 -7.477 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.320 -1.996 -8.791 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.566 -2.601 -9.977 1.00 0.00 C ATOM 1186 OE1 GLU A 74 0.081 -3.650 -9.763 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.653 -2.002 -11.071 1.00 0.00 O ATOM 0 H GLU A 74 -3.424 -3.351 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.195 -2.207 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.140 -2.396 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.938 -3.739 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.393 -2.122 -8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.129 -0.924 -8.743 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.518 0.179 -6.160 1.00 0.00 N ATOM 1195 CA ILE A 75 -1.892 1.574 -6.319 1.00 0.00 C ATOM 1196 C ILE A 75 -1.016 2.211 -7.400 1.00 0.00 C ATOM 1197 O ILE A 75 0.206 2.259 -7.266 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.835 2.300 -4.974 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.638 1.549 -3.911 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.291 3.754 -5.116 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -1.974 1.666 -2.537 1.00 0.00 C ATOM 0 H ILE A 75 -0.606 0.028 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.925 1.656 -6.656 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.798 2.319 -4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.651 1.950 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.723 0.499 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.241 4.247 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.640 4.272 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.317 3.779 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.565 1.123 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.971 1.242 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.912 2.716 -2.251 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.675 2.685 -8.447 1.00 0.00 N ATOM 1214 CA ILE A 76 -0.972 3.318 -9.550 1.00 0.00 C ATOM 1215 C ILE A 76 -1.146 4.835 -9.457 1.00 0.00 C ATOM 1216 O ILE A 76 -2.258 5.345 -9.578 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.430 2.728 -10.886 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.246 1.209 -10.906 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.717 3.406 -12.058 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.585 0.498 -11.113 1.00 0.00 C ATOM 0 H ILE A 76 -2.688 2.643 -8.555 1.00 0.00 H new ATOM 0 HA ILE A 76 0.097 3.115 -9.487 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.496 2.926 -10.999 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.556 0.933 -11.704 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.797 0.881 -9.969 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.061 2.968 -12.995 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.941 4.473 -12.052 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.359 3.261 -11.963 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.427 -0.580 -11.123 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.264 0.757 -10.301 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.020 0.810 -12.063 1.00 0.00 H new ATOM 1232 N PRO A 77 0.001 5.532 -9.236 1.00 0.00 N ATOM 1233 CA PRO A 77 -0.013 6.981 -9.125 1.00 0.00 C ATOM 1234 C PRO A 77 -0.188 7.634 -10.498 1.00 0.00 C ATOM 1235 O PRO A 77 0.208 7.066 -11.515 1.00 0.00 O ATOM 1236 CB PRO A 77 1.307 7.337 -8.461 1.00 0.00 C ATOM 1237 CG PRO A 77 2.207 6.127 -8.647 1.00 0.00 C ATOM 1238 CD PRO A 77 1.337 4.962 -9.088 1.00 0.00 C ATOM 0 HA PRO A 77 -0.852 7.350 -8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.747 8.224 -8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.165 7.559 -7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.975 6.334 -9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.722 5.888 -7.717 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.692 4.536 -10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.346 4.160 -8.350 1.00 0.00 H new ATOM 1411 N SER A 89 3.866 0.958 -9.749 1.00 0.00 N ATOM 1412 CA SER A 89 2.711 1.087 -8.878 1.00 0.00 C ATOM 1413 C SER A 89 3.049 0.565 -7.480 1.00 0.00 C ATOM 1414 O SER A 89 4.138 0.040 -7.256 1.00 0.00 O ATOM 1415 CB SER A 89 1.505 0.336 -9.448 1.00 0.00 C ATOM 1416 OG SER A 89 1.812 -1.025 -9.737 1.00 0.00 O ATOM 0 HA SER A 89 2.449 2.143 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.681 0.378 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.166 0.832 -10.357 1.00 0.00 H new ATOM 0 HG SER A 89 2.735 -1.091 -10.059 1.00 0.00 H new ATOM 1422 N TYR A 90 2.095 0.728 -6.576 1.00 0.00 N ATOM 1423 CA TYR A 90 2.277 0.280 -5.206 1.00 0.00 C ATOM 1424 C TYR A 90 1.507 -1.016 -4.945 1.00 0.00 C ATOM 1425 O TYR A 90 0.338 -0.981 -4.563 1.00 0.00 O ATOM 1426 CB TYR A 90 1.704 1.388 -4.320 1.00 0.00 C ATOM 1427 CG TYR A 90 2.760 2.162 -3.529 1.00 0.00 C ATOM 1428 CD1 TYR A 90 4.013 2.369 -4.070 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.460 2.654 -2.275 1.00 0.00 C ATOM 1430 CE1 TYR A 90 5.007 3.097 -3.325 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.454 3.383 -1.531 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.679 3.569 -2.093 1.00 0.00 C ATOM 1433 OH TYR A 90 5.618 4.257 -1.390 1.00 0.00 O ATOM 0 H TYR A 90 1.193 1.164 -6.765 1.00 0.00 H new ATOM 0 HA TYR A 90 3.330 0.085 -5.003 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.148 2.087 -4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.992 0.949 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.248 1.985 -5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.480 2.492 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.992 3.264 -3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.232 3.773 -0.549 1.00 0.00 H new ATOM 0 HH TYR A 90 5.814 3.783 -0.555 1.00 0.00 H new ATOM 1443 N VAL A 91 2.193 -2.128 -5.162 1.00 0.00 N ATOM 1444 CA VAL A 91 1.588 -3.433 -4.955 1.00 0.00 C ATOM 1445 C VAL A 91 1.430 -3.685 -3.455 1.00 0.00 C ATOM 1446 O VAL A 91 2.400 -4.012 -2.771 1.00 0.00 O ATOM 1447 CB VAL A 91 2.414 -4.511 -5.660 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.799 -5.896 -5.453 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.571 -4.197 -7.149 1.00 0.00 C ATOM 0 H VAL A 91 3.162 -2.153 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 91 0.592 -3.467 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 91 3.408 -4.516 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.406 -6.644 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.765 -6.123 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.788 -5.909 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.162 -4.979 -7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.588 -4.150 -7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.075 -3.238 -7.267 1.00 0.00 H new ATOM 1459 N LEU A 92 0.201 -3.525 -2.986 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.095 -3.731 -1.578 1.00 0.00 C ATOM 1461 C LEU A 92 -0.983 -4.967 -1.425 1.00 0.00 C ATOM 1462 O LEU A 92 -1.914 -5.168 -2.204 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.694 -2.464 -0.966 1.00 0.00 C ATOM 1464 CG LEU A 92 0.058 -1.162 -1.249 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.489 -0.016 -0.395 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.565 -1.347 -1.061 1.00 0.00 C ATOM 0 H LEU A 92 -0.601 -3.255 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 92 0.821 -3.924 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.716 -2.357 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.753 -2.599 0.114 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.106 -0.893 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.063 0.898 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.545 0.134 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.375 -0.263 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.076 -0.407 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.769 -1.652 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.926 -2.114 -1.746 1.00 0.00 H new ATOM 1478 N MET A 93 -0.664 -5.764 -0.416 1.00 0.00 N ATOM 1479 CA MET A 93 -1.422 -6.976 -0.150 1.00 0.00 C ATOM 1480 C MET A 93 -1.809 -7.068 1.327 1.00 0.00 C ATOM 1481 O MET A 93 -0.984 -6.820 2.205 1.00 0.00 O ATOM 1482 CB MET A 93 -0.584 -8.197 -0.536 1.00 0.00 C ATOM 1483 CG MET A 93 -1.296 -9.494 -0.149 1.00 0.00 C ATOM 1484 SD MET A 93 -0.223 -10.502 0.860 1.00 0.00 S ATOM 1485 CE MET A 93 1.117 -10.773 -0.288 1.00 0.00 C ATOM 0 H MET A 93 0.109 -5.595 0.228 1.00 0.00 H new ATOM 0 HA MET A 93 -2.336 -6.949 -0.744 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.395 -8.188 -1.609 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.386 -8.148 -0.041 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.213 -9.267 0.395 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.585 -10.041 -1.046 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.300 -11.843 -0.388 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.853 -10.358 -1.261 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.018 -10.284 0.082 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.064 -7.424 1.556 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.571 -7.552 2.912 1.00 0.00 C ATOM 1497 C ALA A 94 -3.846 -9.026 3.212 1.00 0.00 C ATOM 1498 O ALA A 94 -4.335 -9.758 2.353 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.818 -6.681 3.075 1.00 0.00 C ATOM 0 H ALA A 94 -3.746 -7.628 0.825 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.832 -7.202 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.198 -6.777 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.562 -5.640 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.583 -7.005 2.369 1.00 0.00 H new ATOM 1505 N SER A 95 -3.520 -9.419 4.435 1.00 0.00 N ATOM 1506 CA SER A 95 -3.725 -10.794 4.859 1.00 0.00 C ATOM 1507 C SER A 95 -5.187 -11.193 4.649 1.00 0.00 C ATOM 1508 O SER A 95 -5.477 -12.142 3.924 1.00 0.00 O ATOM 1509 CB SER A 95 -3.328 -10.983 6.325 1.00 0.00 C ATOM 1510 OG SER A 95 -2.252 -11.904 6.471 1.00 0.00 O ATOM 0 H SER A 95 -3.115 -8.809 5.146 1.00 0.00 H new ATOM 0 HA SER A 95 -3.088 -11.438 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.042 -10.021 6.750 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.189 -11.338 6.891 1.00 0.00 H new ATOM 0 HG SER A 95 -2.027 -11.996 7.420 1.00 0.00 H new ATOM 1516 N SER A 96 -6.070 -10.447 5.298 1.00 0.00 N ATOM 1517 CA SER A 96 -7.495 -10.711 5.192 1.00 0.00 C ATOM 1518 C SER A 96 -8.129 -9.758 4.177 1.00 0.00 C ATOM 1519 O SER A 96 -7.479 -8.828 3.702 1.00 0.00 O ATOM 1520 CB SER A 96 -8.183 -10.574 6.551 1.00 0.00 C ATOM 1521 OG SER A 96 -8.253 -9.216 6.980 1.00 0.00 O ATOM 0 H SER A 96 -5.826 -9.660 5.899 1.00 0.00 H new ATOM 0 HA SER A 96 -7.629 -11.737 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.190 -10.988 6.491 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.641 -11.161 7.293 1.00 0.00 H new ATOM 0 HG SER A 96 -8.701 -9.171 7.851 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.392 -10.023 3.874 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.121 -9.200 2.924 1.00 0.00 C ATOM 1529 C GLN A 97 -10.647 -7.937 3.609 1.00 0.00 C ATOM 1530 O GLN A 97 -10.424 -6.827 3.128 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.262 -9.989 2.278 1.00 0.00 C ATOM 1532 CG GLN A 97 -11.964 -9.158 1.202 1.00 0.00 C ATOM 1533 CD GLN A 97 -12.814 -10.046 0.291 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.143 -11.176 0.613 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.149 -9.474 -0.862 1.00 0.00 N ATOM 0 H GLN A 97 -9.928 -10.795 4.269 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.435 -8.901 2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.871 -10.906 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.982 -10.285 3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.595 -8.405 1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.222 -8.625 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.840 -8.524 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.715 -9.985 -1.539 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.335 -8.149 4.721 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.894 -7.041 5.477 1.00 0.00 C ATOM 1546 C ALA A 98 -10.852 -5.927 5.587 1.00 0.00 C ATOM 1547 O ALA A 98 -11.203 -4.752 5.686 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.360 -7.541 6.846 1.00 0.00 C ATOM 0 H ALA A 98 -11.518 -9.071 5.117 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.764 -6.629 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.779 -6.710 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.121 -8.310 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.512 -7.959 7.388 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.592 -6.334 5.565 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.496 -5.385 5.661 1.00 0.00 C ATOM 1556 C GLU A 99 -8.306 -4.658 4.328 1.00 0.00 C ATOM 1557 O GLU A 99 -8.186 -3.434 4.296 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.205 -6.080 6.096 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.042 -5.087 6.159 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.088 -5.431 7.305 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -5.527 -5.296 8.468 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -3.943 -5.821 6.992 1.00 0.00 O ATOM 0 H GLU A 99 -9.305 -7.309 5.482 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.746 -4.647 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.348 -6.541 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.966 -6.882 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.499 -5.097 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.429 -4.077 6.294 1.00 0.00 H new ATOM 1569 N MET A 100 -8.284 -5.442 3.261 1.00 0.00 N ATOM 1570 CA MET A 100 -8.110 -4.889 1.929 1.00 0.00 C ATOM 1571 C MET A 100 -9.308 -4.022 1.534 1.00 0.00 C ATOM 1572 O MET A 100 -9.153 -3.029 0.825 1.00 0.00 O ATOM 1573 CB MET A 100 -7.949 -6.027 0.919 1.00 0.00 C ATOM 1574 CG MET A 100 -7.725 -5.481 -0.492 1.00 0.00 C ATOM 1575 SD MET A 100 -8.107 -6.738 -1.701 1.00 0.00 S ATOM 1576 CE MET A 100 -9.861 -6.913 -1.421 1.00 0.00 C ATOM 0 H MET A 100 -8.384 -6.457 3.292 1.00 0.00 H new ATOM 0 HA MET A 100 -7.217 -4.264 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.107 -6.657 1.207 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.838 -6.658 0.932 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.352 -4.605 -0.656 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.690 -5.158 -0.606 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.077 -7.929 -1.091 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.179 -6.207 -0.654 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.399 -6.710 -2.347 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.475 -4.429 2.012 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.698 -3.703 1.718 1.00 0.00 C ATOM 1588 C GLU A 101 -11.687 -2.341 2.416 1.00 0.00 C ATOM 1589 O GLU A 101 -11.975 -1.319 1.795 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.929 -4.516 2.123 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.630 -5.098 0.893 1.00 0.00 C ATOM 1592 CD GLU A 101 -13.988 -3.996 -0.106 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.922 -3.227 0.207 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.320 -3.948 -1.162 1.00 0.00 O ATOM 0 H GLU A 101 -10.599 -5.253 2.601 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.750 -3.538 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.632 -5.323 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.623 -3.882 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.982 -5.832 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.534 -5.624 1.200 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.351 -2.371 3.697 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.299 -1.151 4.485 1.00 0.00 C ATOM 1603 C GLU A 102 -10.311 -0.161 3.866 1.00 0.00 C ATOM 1604 O GLU A 102 -10.654 0.996 3.627 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.932 -1.454 5.940 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.202 -0.244 6.836 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.687 -0.145 7.192 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.184 -1.103 7.824 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.292 0.885 6.823 1.00 0.00 O ATOM 0 H GLU A 102 -11.112 -3.220 4.209 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.290 -0.696 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.508 -2.309 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.880 -1.731 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.610 -0.323 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.885 0.667 6.328 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.104 -0.651 3.623 1.00 0.00 N ATOM 1617 CA TRP A 103 -8.064 0.177 3.036 1.00 0.00 C ATOM 1618 C TRP A 103 -8.594 0.734 1.713 1.00 0.00 C ATOM 1619 O TRP A 103 -8.746 1.945 1.562 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.762 -0.610 2.875 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.832 -0.529 4.086 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.517 -1.503 4.952 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.103 0.633 4.534 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.643 -1.055 5.921 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.383 0.285 5.659 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.054 1.936 4.007 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.562 1.183 6.352 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.229 2.821 4.711 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.497 2.487 5.844 1.00 0.00 C ATOM 0 H TRP A 103 -8.823 -1.611 3.822 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.819 1.012 3.692 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.003 -1.656 2.684 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.232 -0.240 1.997 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.899 -2.512 4.898 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.258 -1.606 6.688 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.609 2.231 3.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.009 0.886 7.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.156 3.835 4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.881 3.229 6.330 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.860 -0.177 0.789 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.369 0.208 -0.517 1.00 0.00 C ATOM 1642 C VAL A 104 -10.500 1.223 -0.339 1.00 0.00 C ATOM 1643 O VAL A 104 -10.547 2.234 -1.038 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.799 -1.035 -1.298 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.722 -0.661 -2.460 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.583 -1.819 -1.795 1.00 0.00 C ATOM 0 H VAL A 104 -8.733 -1.181 0.918 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.588 0.691 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.358 -1.679 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.013 -1.563 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.613 -0.167 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.199 0.013 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.917 -2.698 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.984 -1.185 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.980 -2.133 -0.943 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.384 0.918 0.600 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.511 1.791 0.879 1.00 0.00 C ATOM 1658 C LYS A 105 -12.003 3.216 1.108 1.00 0.00 C ATOM 1659 O LYS A 105 -12.334 4.126 0.349 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.341 1.241 2.040 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.564 2.121 2.306 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.294 3.105 3.446 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.953 2.635 4.744 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.123 3.482 5.068 1.00 0.00 N ATOM 0 H LYS A 105 -11.342 0.078 1.177 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.186 1.826 0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.663 0.225 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.725 1.187 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.825 2.670 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.420 1.494 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.219 3.207 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.674 4.091 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.266 1.596 4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.231 2.674 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.558 3.149 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.816 4.469 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.818 3.424 4.296 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.207 3.365 2.156 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.650 4.664 2.495 1.00 0.00 C ATOM 1680 C PHE A 106 -9.863 5.246 1.319 1.00 0.00 C ATOM 1681 O PHE A 106 -9.971 6.435 1.022 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.699 4.449 3.674 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.380 4.515 5.042 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -10.720 5.720 5.575 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.645 3.370 5.726 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.351 5.781 6.846 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.276 3.431 6.996 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.616 4.635 7.529 1.00 0.00 C ATOM 0 H PHE A 106 -10.934 2.608 2.782 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.452 5.360 2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.217 3.478 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.912 5.202 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.510 6.630 5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.375 2.414 5.303 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -11.620 6.737 7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.486 2.521 7.539 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.097 4.681 8.495 1.00 0.00 H new ATOM 1698 N LEU A 107 -9.088 4.381 0.681 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.283 4.794 -0.456 1.00 0.00 C ATOM 1700 C LEU A 107 -9.202 5.308 -1.566 1.00 0.00 C ATOM 1701 O LEU A 107 -9.229 6.504 -1.851 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.358 3.658 -0.899 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.239 3.286 0.075 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.708 1.880 -0.210 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -5.124 4.334 0.056 1.00 0.00 C ATOM 0 H LEU A 107 -9.001 3.396 0.930 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.626 5.618 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.965 2.771 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.906 3.934 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.654 3.275 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.913 1.641 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.517 1.157 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.315 1.839 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.341 4.045 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.705 4.401 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.531 5.303 0.345 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.932 4.377 -2.164 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.849 4.721 -3.237 1.00 0.00 C ATOM 1719 C ARG A 108 -11.766 5.868 -2.805 1.00 0.00 C ATOM 1720 O ARG A 108 -12.060 6.764 -3.595 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.705 3.517 -3.637 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.432 3.108 -5.086 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.294 1.589 -5.210 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.702 1.154 -6.565 1.00 0.00 N ATOM 1725 CZ ARG A 108 -12.968 1.157 -7.005 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.956 1.574 -6.202 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -13.245 0.744 -8.250 1.00 0.00 N ATOM 0 H ARG A 108 -9.907 3.386 -1.926 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.253 5.031 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.494 2.679 -2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.761 3.761 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.243 3.456 -5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.520 3.590 -5.438 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.263 1.292 -5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.912 1.097 -4.459 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.974 0.832 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.745 1.889 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.919 1.576 -6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -12.493 0.428 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.208 0.746 -8.586 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.192 5.802 -1.552 1.00 0.00 N ATOM 1742 CA ARG A 109 -13.069 6.824 -1.005 1.00 0.00 C ATOM 1743 C ARG A 109 -12.440 8.209 -1.175 1.00 0.00 C ATOM 1744 O ARG A 109 -13.027 9.088 -1.805 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.346 6.575 0.479 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.110 7.747 1.098 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.797 7.328 2.399 1.00 0.00 C ATOM 1748 NE ARG A 109 -14.736 8.433 3.382 1.00 0.00 N ATOM 1749 CZ ARG A 109 -15.613 9.444 3.432 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.624 9.497 2.554 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -15.479 10.403 4.358 1.00 0.00 N ATOM 0 H ARG A 109 -11.946 5.057 -0.900 1.00 0.00 H new ATOM 0 HA ARG A 109 -14.011 6.780 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.923 5.658 0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.405 6.429 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.423 8.570 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.854 8.114 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.836 7.062 2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.313 6.441 2.806 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.978 8.424 4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -16.725 8.768 1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.292 10.267 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.709 10.363 5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.147 11.173 4.395 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.256 8.360 -0.601 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.542 9.623 -0.680 1.00 0.00 C ATOM 1767 C VAL A 110 -10.145 9.889 -2.134 1.00 0.00 C ATOM 1768 O VAL A 110 -10.234 11.020 -2.608 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.345 9.609 0.273 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.510 10.882 0.124 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.800 9.418 1.721 1.00 0.00 C ATOM 0 H VAL A 110 -10.773 7.629 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.184 10.445 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.714 8.762 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.666 10.846 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.141 10.957 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.127 11.751 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.930 9.412 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.463 10.235 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.331 8.471 1.813 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.715 8.827 -2.800 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.304 8.932 -4.190 1.00 0.00 C ATOM 1783 C ALA A 111 -10.427 9.581 -5.002 1.00 0.00 C ATOM 1784 O ALA A 111 -10.165 10.327 -5.944 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.930 7.545 -4.718 1.00 0.00 C ATOM 0 H ALA A 111 -9.642 7.890 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.422 9.565 -4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.622 7.624 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -8.109 7.140 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.792 6.883 -4.644 1.00 0.00 H new