USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=19 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 35 GLN : amide:sc= 0.268 X(o=-0.85,f=-0.79) USER MOD Set 1.2: A 37 TYR OH : rot -139:sc= -1.11 USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= -0.194 (180deg=-0.287) USER MOD Single : A 11 MET CE :methyl -146:sc= 0 (180deg=-0.0388) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.604) USER MOD Single : A 17 GLN : amide:sc= 0.0702 X(o=0.07,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Single : A 25 GLN : amide:sc=-0.00215 X(o=-0.0021,f=0) USER MOD Single : A 26 GLN : amide:sc= -1.98! C(o=-2!,f=-5.2!) 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) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.288 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.437 K(o=-0.44,f=-2.8) USER MOD Single : A 50 CYS SG : rot 23:sc= 0.814 USER MOD Single : A 51 MET CE :methyl -165:sc= -0.661 (180deg=-1.22) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 89:sc= -1.16! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= -0.916 (180deg=-1.38) USER MOD Single : A 89 SER OG : rot -33:sc= 0 USER MOD Single : A 90 TYR OH : rot -140:sc= 0.85 USER MOD Single : A 93 MET CE :methyl -120:sc= -8.97! (180deg=-11.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00562 USER MOD Single : A 97 GLN : amide:sc= -0.988 X(o=-0.99,f=-0.92) USER MOD Single : A 100 MET CE :methyl -151:sc= -0.739! (180deg=-2.78!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.361 8.577 9.092 1.00 0.00 N ATOM 81 CA ILE A 9 -7.723 8.077 9.011 1.00 0.00 C ATOM 82 C ILE A 9 -7.711 6.553 9.142 1.00 0.00 C ATOM 83 O ILE A 9 -8.580 5.975 9.793 1.00 0.00 O ATOM 84 CB ILE A 9 -8.403 8.580 7.736 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.489 10.107 7.726 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.775 7.927 7.553 1.00 0.00 C ATOM 87 CD1 ILE A 9 -7.889 10.681 6.441 1.00 0.00 C ATOM 0 HA ILE A 9 -8.321 8.463 9.837 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.790 8.287 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.530 10.417 7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.961 10.510 8.590 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.237 8.301 6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.657 6.846 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.409 8.168 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.963 11.768 6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.841 10.389 6.367 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.435 10.295 5.580 1.00 0.00 H new ATOM 99 N LYS A 10 -6.716 5.944 8.513 1.00 0.00 N ATOM 100 CA LYS A 10 -6.580 4.498 8.551 1.00 0.00 C ATOM 101 C LYS A 10 -5.096 4.132 8.629 1.00 0.00 C ATOM 102 O LYS A 10 -4.265 4.750 7.965 1.00 0.00 O ATOM 103 CB LYS A 10 -7.309 3.860 7.367 1.00 0.00 C ATOM 104 CG LYS A 10 -7.189 2.335 7.406 1.00 0.00 C ATOM 105 CD LYS A 10 -8.569 1.676 7.400 1.00 0.00 C ATOM 106 CE LYS A 10 -8.535 0.326 8.118 1.00 0.00 C ATOM 107 NZ LYS A 10 -9.282 0.399 9.394 1.00 0.00 N ATOM 0 H LYS A 10 -5.996 6.426 7.974 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.056 4.094 9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.361 4.146 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.893 4.237 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.614 1.990 6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.642 2.032 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.291 2.332 7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.905 1.537 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.969 -0.443 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.502 0.036 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.365 -0.554 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.774 1.017 10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.232 0.785 9.219 1.00 0.00 H new ATOM 121 N MET A 11 -4.809 3.130 9.447 1.00 0.00 N ATOM 122 CA MET A 11 -3.440 2.675 9.620 1.00 0.00 C ATOM 123 C MET A 11 -3.389 1.161 9.838 1.00 0.00 C ATOM 124 O MET A 11 -4.341 0.571 10.347 1.00 0.00 O ATOM 125 CB MET A 11 -2.814 3.385 10.823 1.00 0.00 C ATOM 126 CG MET A 11 -2.923 4.904 10.680 1.00 0.00 C ATOM 127 SD MET A 11 -4.511 5.461 11.276 1.00 0.00 S ATOM 128 CE MET A 11 -4.180 5.522 13.029 1.00 0.00 C ATOM 0 H MET A 11 -5.501 2.621 9.997 1.00 0.00 H new ATOM 0 HA MET A 11 -2.881 2.912 8.715 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.312 3.066 11.738 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.766 3.099 10.914 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.124 5.389 11.241 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.797 5.189 9.636 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.082 5.253 13.579 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.383 4.820 13.273 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.873 6.530 13.306 1.00 0.00 H new ATOM 138 N GLY A 12 -2.269 0.576 9.440 1.00 0.00 N ATOM 139 CA GLY A 12 -2.082 -0.858 9.585 1.00 0.00 C ATOM 140 C GLY A 12 -0.807 -1.319 8.877 1.00 0.00 C ATOM 141 O GLY A 12 -0.193 -0.553 8.135 1.00 0.00 O ATOM 0 H GLY A 12 -1.482 1.068 9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.029 -1.116 10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.942 -1.384 9.171 1.00 0.00 H new ATOM 145 N TRP A 13 -0.446 -2.568 9.130 1.00 0.00 N ATOM 146 CA TRP A 13 0.746 -3.140 8.526 1.00 0.00 C ATOM 147 C TRP A 13 0.328 -3.848 7.235 1.00 0.00 C ATOM 148 O TRP A 13 -0.354 -4.871 7.277 1.00 0.00 O ATOM 149 CB TRP A 13 1.469 -4.064 9.507 1.00 0.00 C ATOM 150 CG TRP A 13 2.423 -3.339 10.457 1.00 0.00 C ATOM 151 CD1 TRP A 13 2.139 -2.351 11.317 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.837 -3.586 10.610 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.262 -1.945 12.009 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.327 -2.720 11.566 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.674 -4.511 9.961 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.670 -2.693 11.960 1.00 0.00 C ATOM 157 CZ3 TRP A 13 6.014 -4.472 10.366 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.523 -3.606 11.327 1.00 0.00 C ATOM 0 H TRP A 13 -0.958 -3.200 9.745 1.00 0.00 H new ATOM 0 HA TRP A 13 1.465 -2.359 8.278 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.727 -4.604 10.096 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.031 -4.808 8.942 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.155 -1.926 11.452 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.303 -1.211 12.716 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.312 -5.197 9.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.029 -2.005 12.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.700 -5.163 9.899 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.571 -3.637 11.584 1.00 0.00 H new ATOM 169 N LEU A 14 0.754 -3.275 6.119 1.00 0.00 N ATOM 170 CA LEU A 14 0.432 -3.838 4.819 1.00 0.00 C ATOM 171 C LEU A 14 1.712 -4.360 4.163 1.00 0.00 C ATOM 172 O LEU A 14 2.801 -3.849 4.425 1.00 0.00 O ATOM 173 CB LEU A 14 -0.324 -2.819 3.965 1.00 0.00 C ATOM 174 CG LEU A 14 -1.851 -2.867 4.059 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.482 -1.672 3.341 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.390 -4.200 3.536 1.00 0.00 C ATOM 0 H LEU A 14 1.319 -2.427 6.088 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.241 -4.688 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.007 -1.820 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.039 -2.965 2.923 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.132 -2.796 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.567 -1.730 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.133 -0.747 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.196 -1.687 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.477 -4.209 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.100 -4.326 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.977 -5.017 4.128 1.00 0.00 H new ATOM 188 N LYS A 15 1.540 -5.370 3.323 1.00 0.00 N ATOM 189 CA LYS A 15 2.668 -5.966 2.628 1.00 0.00 C ATOM 190 C LYS A 15 2.828 -5.300 1.259 1.00 0.00 C ATOM 191 O LYS A 15 1.969 -5.445 0.391 1.00 0.00 O ATOM 192 CB LYS A 15 2.512 -7.486 2.558 1.00 0.00 C ATOM 193 CG LYS A 15 3.524 -8.184 3.468 1.00 0.00 C ATOM 194 CD LYS A 15 3.612 -9.678 3.148 1.00 0.00 C ATOM 195 CE LYS A 15 3.164 -10.522 4.343 1.00 0.00 C ATOM 196 NZ LYS A 15 3.982 -11.751 4.444 1.00 0.00 N ATOM 0 H LYS A 15 0.636 -5.791 3.108 1.00 0.00 H new ATOM 0 HA LYS A 15 3.592 -5.789 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.500 -7.765 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.649 -7.822 1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.505 -7.724 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.235 -8.048 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.989 -9.906 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.636 -9.936 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.255 -9.941 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.112 -10.786 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.665 -12.313 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.875 -12.312 3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.982 -11.493 4.568 1.00 0.00 H new ATOM 210 N LYS A 16 3.933 -4.585 1.110 1.00 0.00 N ATOM 211 CA LYS A 16 4.216 -3.897 -0.138 1.00 0.00 C ATOM 212 C LYS A 16 5.285 -4.671 -0.911 1.00 0.00 C ATOM 213 O LYS A 16 6.359 -4.952 -0.380 1.00 0.00 O ATOM 214 CB LYS A 16 4.586 -2.436 0.128 1.00 0.00 C ATOM 215 CG LYS A 16 5.215 -1.796 -1.111 1.00 0.00 C ATOM 216 CD LYS A 16 5.787 -0.415 -0.784 1.00 0.00 C ATOM 217 CE LYS A 16 5.836 0.468 -2.033 1.00 0.00 C ATOM 218 NZ LYS A 16 6.244 -0.327 -3.213 1.00 0.00 N ATOM 0 H LYS A 16 4.643 -4.467 1.833 1.00 0.00 H new ATOM 0 HA LYS A 16 3.326 -3.867 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.695 -1.878 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.283 -2.380 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.006 -2.440 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.466 -1.706 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.176 0.064 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.790 -0.521 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.857 0.915 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.538 1.288 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.661 0.302 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.947 -1.038 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.412 -0.805 -3.614 1.00 0.00 H new ATOM 232 N GLN A 17 4.955 -4.994 -2.153 1.00 0.00 N ATOM 233 CA GLN A 17 5.873 -5.731 -3.004 1.00 0.00 C ATOM 234 C GLN A 17 7.199 -4.976 -3.132 1.00 0.00 C ATOM 235 O GLN A 17 7.222 -3.825 -3.565 1.00 0.00 O ATOM 236 CB GLN A 17 5.256 -5.992 -4.379 1.00 0.00 C ATOM 237 CG GLN A 17 6.043 -7.063 -5.139 1.00 0.00 C ATOM 238 CD GLN A 17 5.202 -7.665 -6.266 1.00 0.00 C ATOM 239 OE1 GLN A 17 5.316 -7.299 -7.424 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.352 -8.606 -5.864 1.00 0.00 N ATOM 0 H GLN A 17 4.064 -4.759 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 17 6.070 -6.698 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.220 -6.311 -4.262 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.242 -5.068 -4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.952 -6.626 -5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.352 -7.850 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.307 -8.865 -4.879 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.745 -9.068 -6.541 1.00 0.00 H new ATOM 341 N ASN A 23 9.044 -10.100 -3.797 1.00 0.00 N ATOM 342 CA ASN A 23 8.789 -10.441 -2.408 1.00 0.00 C ATOM 343 C ASN A 23 7.811 -9.428 -1.810 1.00 0.00 C ATOM 344 O ASN A 23 7.487 -8.424 -2.442 1.00 0.00 O ATOM 345 CB ASN A 23 10.078 -10.396 -1.585 1.00 0.00 C ATOM 346 CG ASN A 23 9.920 -11.173 -0.276 1.00 0.00 C ATOM 347 OD1 ASN A 23 9.499 -12.318 -0.251 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.281 -10.489 0.806 1.00 0.00 N ATOM 0 HA ASN A 23 8.377 -11.450 -2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.899 -10.817 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.339 -9.360 -1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.214 -10.920 1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.625 -9.533 0.714 1.00 0.00 H new ATOM 355 N TRP A 24 7.368 -9.726 -0.597 1.00 0.00 N ATOM 356 CA TRP A 24 6.433 -8.854 0.094 1.00 0.00 C ATOM 357 C TRP A 24 7.102 -8.370 1.382 1.00 0.00 C ATOM 358 O TRP A 24 7.624 -9.172 2.154 1.00 0.00 O ATOM 359 CB TRP A 24 5.101 -9.565 0.343 1.00 0.00 C ATOM 360 CG TRP A 24 4.382 -10.004 -0.934 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.500 -11.166 -1.591 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.421 -9.234 -1.687 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.690 -11.201 -2.707 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.012 -9.989 -2.767 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.913 -7.942 -1.462 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.078 -9.539 -3.708 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.981 -7.507 -2.412 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.559 -8.255 -3.505 1.00 0.00 C ATOM 0 H TRP A 24 7.639 -10.559 -0.075 1.00 0.00 H new ATOM 0 HA TRP A 24 6.189 -7.987 -0.519 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.279 -10.441 0.967 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.446 -8.901 0.906 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.148 -11.974 -1.285 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.604 -11.974 -3.367 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.218 -7.334 -0.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.774 -10.150 -4.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.560 -6.520 -2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.834 -7.847 -4.194 1.00 0.00 H new ATOM 379 N GLN A 25 7.064 -7.059 1.573 1.00 0.00 N ATOM 380 CA GLN A 25 7.660 -6.458 2.754 1.00 0.00 C ATOM 381 C GLN A 25 6.574 -5.865 3.654 1.00 0.00 C ATOM 382 O GLN A 25 5.889 -4.920 3.266 1.00 0.00 O ATOM 383 CB GLN A 25 8.692 -5.396 2.368 1.00 0.00 C ATOM 384 CG GLN A 25 10.116 -5.921 2.559 1.00 0.00 C ATOM 385 CD GLN A 25 10.578 -5.737 4.006 1.00 0.00 C ATOM 386 OE1 GLN A 25 11.048 -4.685 4.406 1.00 0.00 O ATOM 387 NE2 GLN A 25 10.420 -6.817 4.766 1.00 0.00 N ATOM 0 H GLN A 25 6.630 -6.397 0.930 1.00 0.00 H new ATOM 0 HA GLN A 25 8.180 -7.238 3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.545 -5.102 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.545 -4.503 2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.157 -6.977 2.292 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.795 -5.395 1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.020 -7.667 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.699 -6.796 5.747 1.00 0.00 H new ATOM 396 N GLN A 26 6.450 -6.445 4.839 1.00 0.00 N ATOM 397 CA GLN A 26 5.459 -5.986 5.797 1.00 0.00 C ATOM 398 C GLN A 26 5.845 -4.610 6.343 1.00 0.00 C ATOM 399 O GLN A 26 6.714 -4.503 7.207 1.00 0.00 O ATOM 400 CB GLN A 26 5.283 -6.997 6.932 1.00 0.00 C ATOM 401 CG GLN A 26 3.802 -7.274 7.196 1.00 0.00 C ATOM 402 CD GLN A 26 3.550 -8.770 7.393 1.00 0.00 C ATOM 403 OE1 GLN A 26 4.434 -9.599 7.251 1.00 0.00 O ATOM 404 NE2 GLN A 26 2.298 -9.068 7.728 1.00 0.00 N ATOM 0 H GLN A 26 7.020 -7.229 5.157 1.00 0.00 H new ATOM 0 HA GLN A 26 4.502 -5.896 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.791 -7.927 6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.753 -6.616 7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.479 -6.727 8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.205 -6.908 6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.607 -8.325 7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.029 -10.040 7.883 1.00 0.00 H new ATOM 413 N ARG A 27 5.181 -3.592 5.816 1.00 0.00 N ATOM 414 CA ARG A 27 5.444 -2.227 6.241 1.00 0.00 C ATOM 415 C ARG A 27 4.219 -1.645 6.947 1.00 0.00 C ATOM 416 O ARG A 27 3.116 -2.175 6.823 1.00 0.00 O ATOM 417 CB ARG A 27 5.806 -1.340 5.048 1.00 0.00 C ATOM 418 CG ARG A 27 6.991 -0.432 5.380 1.00 0.00 C ATOM 419 CD ARG A 27 8.290 -0.989 4.793 1.00 0.00 C ATOM 420 NE ARG A 27 9.209 0.121 4.454 1.00 0.00 N ATOM 421 CZ ARG A 27 10.492 -0.046 4.105 1.00 0.00 C ATOM 422 NH1 ARG A 27 11.015 -1.279 4.046 1.00 0.00 N ATOM 423 NH2 ARG A 27 11.252 1.019 3.814 1.00 0.00 N ATOM 0 H ARG A 27 4.462 -3.685 5.099 1.00 0.00 H new ATOM 0 HA ARG A 27 6.287 -2.251 6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.051 -1.963 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.945 -0.733 4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.809 0.568 4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.088 -0.336 6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.765 -1.659 5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.073 -1.578 3.902 1.00 0.00 H new ATOM 0 HE ARG A 27 8.843 1.072 4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.436 -2.089 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.992 -1.407 3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.854 1.957 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.229 0.891 3.548 1.00 0.00 H new ATOM 437 N TYR A 28 4.453 -0.563 7.674 1.00 0.00 N ATOM 438 CA TYR A 28 3.382 0.097 8.401 1.00 0.00 C ATOM 439 C TYR A 28 2.814 1.268 7.597 1.00 0.00 C ATOM 440 O TYR A 28 3.396 2.351 7.574 1.00 0.00 O ATOM 441 CB TYR A 28 4.014 0.636 9.686 1.00 0.00 C ATOM 442 CG TYR A 28 3.006 1.220 10.678 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.652 1.069 10.455 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.450 1.897 11.795 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.703 1.619 11.389 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.501 2.447 12.729 1.00 0.00 C ATOM 447 CZ TYR A 28 1.174 2.280 12.479 1.00 0.00 C ATOM 448 OH TYR A 28 0.278 2.799 13.361 1.00 0.00 O ATOM 0 H TYR A 28 5.369 -0.126 7.775 1.00 0.00 H new ATOM 0 HA TYR A 28 2.566 -0.598 8.596 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.564 -0.169 10.174 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.740 1.406 9.426 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.304 0.539 9.581 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.509 2.015 11.969 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.359 1.508 11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.835 2.979 13.607 1.00 0.00 H new ATOM 0 HH TYR A 28 0.757 3.243 14.091 1.00 0.00 H new ATOM 458 N PHE A 29 1.682 1.011 6.957 1.00 0.00 N ATOM 459 CA PHE A 29 1.029 2.030 6.153 1.00 0.00 C ATOM 460 C PHE A 29 0.123 2.911 7.016 1.00 0.00 C ATOM 461 O PHE A 29 -0.496 2.430 7.964 1.00 0.00 O ATOM 462 CB PHE A 29 0.172 1.300 5.116 1.00 0.00 C ATOM 463 CG PHE A 29 0.922 0.942 3.831 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.824 -0.076 3.832 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.686 1.641 2.689 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.519 -0.408 2.639 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.381 1.309 1.497 1.00 0.00 C ATOM 468 CZ PHE A 29 2.284 0.291 1.497 1.00 0.00 C ATOM 0 H PHE A 29 1.201 0.112 6.979 1.00 0.00 H new ATOM 0 HA PHE A 29 1.776 2.671 5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.221 0.386 5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.685 1.925 4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.011 -0.631 4.739 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.031 2.449 2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.235 -1.217 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.193 1.864 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.814 0.039 0.590 1.00 0.00 H new ATOM 478 N VAL A 30 0.074 4.185 6.657 1.00 0.00 N ATOM 479 CA VAL A 30 -0.745 5.138 7.386 1.00 0.00 C ATOM 480 C VAL A 30 -1.468 6.049 6.392 1.00 0.00 C ATOM 481 O VAL A 30 -0.851 6.581 5.470 1.00 0.00 O ATOM 482 CB VAL A 30 0.116 5.910 8.387 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.693 7.015 9.069 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.735 4.967 9.421 1.00 0.00 C ATOM 0 H VAL A 30 0.589 4.580 5.870 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.508 4.620 7.966 1.00 0.00 H new ATOM 0 HB VAL A 30 0.929 6.382 7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.057 7.548 9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.064 7.712 8.317 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.536 6.573 9.601 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.342 5.542 10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.057 4.453 9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.362 4.233 8.915 1.00 0.00 H new ATOM 494 N LEU A 31 -2.766 6.200 6.612 1.00 0.00 N ATOM 495 CA LEU A 31 -3.579 7.037 5.747 1.00 0.00 C ATOM 496 C LEU A 31 -3.800 8.394 6.418 1.00 0.00 C ATOM 497 O LEU A 31 -4.546 8.495 7.391 1.00 0.00 O ATOM 498 CB LEU A 31 -4.876 6.319 5.371 1.00 0.00 C ATOM 499 CG LEU A 31 -5.368 6.528 3.938 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.067 5.274 3.409 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.261 7.766 3.840 1.00 0.00 C ATOM 0 H LEU A 31 -3.274 5.757 7.377 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.062 7.226 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.736 5.250 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.660 6.646 6.054 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.501 6.705 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.407 5.450 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.369 4.437 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.924 5.041 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.597 7.892 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.126 7.643 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.697 8.647 4.148 1.00 0.00 H new ATOM 513 N ARG A 32 -3.138 9.404 5.873 1.00 0.00 N ATOM 514 CA ARG A 32 -3.253 10.750 6.407 1.00 0.00 C ATOM 515 C ARG A 32 -3.791 11.702 5.336 1.00 0.00 C ATOM 516 O ARG A 32 -3.267 11.751 4.224 1.00 0.00 O ATOM 517 CB ARG A 32 -1.899 11.263 6.902 1.00 0.00 C ATOM 518 CG ARG A 32 -2.027 11.898 8.288 1.00 0.00 C ATOM 519 CD ARG A 32 -0.781 11.623 9.133 1.00 0.00 C ATOM 520 NE ARG A 32 -0.565 12.732 10.090 1.00 0.00 N ATOM 521 CZ ARG A 32 0.499 12.829 10.899 1.00 0.00 C ATOM 522 NH1 ARG A 32 1.449 11.884 10.872 1.00 0.00 N ATOM 523 NH2 ARG A 32 0.612 13.870 11.735 1.00 0.00 N ATOM 0 H ARG A 32 -2.520 9.317 5.066 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.946 10.715 7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.186 10.440 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.504 11.995 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.173 12.974 8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.908 11.503 8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.897 10.683 9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.090 11.514 8.487 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.270 13.468 10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.362 11.091 10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.259 11.957 11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.112 14.588 11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.422 13.944 12.351 1.00 0.00 H new ATOM 537 N ALA A 33 -4.830 12.434 5.710 1.00 0.00 N ATOM 538 CA ALA A 33 -5.445 13.381 4.795 1.00 0.00 C ATOM 539 C ALA A 33 -5.564 12.743 3.410 1.00 0.00 C ATOM 540 O ALA A 33 -5.826 11.547 3.295 1.00 0.00 O ATOM 541 CB ALA A 33 -4.627 14.674 4.773 1.00 0.00 C ATOM 0 H ALA A 33 -5.261 12.391 6.633 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.451 13.637 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.088 15.385 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.598 15.103 5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.612 14.457 4.442 1.00 0.00 H new ATOM 547 N GLN A 34 -5.366 13.570 2.394 1.00 0.00 N ATOM 548 CA GLN A 34 -5.448 13.101 1.021 1.00 0.00 C ATOM 549 C GLN A 34 -4.076 12.624 0.540 1.00 0.00 C ATOM 550 O GLN A 34 -3.557 13.123 -0.458 1.00 0.00 O ATOM 551 CB GLN A 34 -6.004 14.190 0.101 1.00 0.00 C ATOM 552 CG GLN A 34 -7.321 14.747 0.645 1.00 0.00 C ATOM 553 CD GLN A 34 -7.675 16.074 -0.029 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.510 16.146 -0.916 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.996 17.117 0.440 1.00 0.00 N ATOM 0 H GLN A 34 -5.149 14.562 2.494 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.137 12.257 0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.276 14.996 0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.162 13.782 -0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.121 14.026 0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.241 14.892 1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.311 16.987 1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.160 18.047 0.055 1.00 0.00 H new ATOM 564 N GLN A 35 -3.528 11.666 1.271 1.00 0.00 N ATOM 565 CA GLN A 35 -2.226 11.117 0.932 1.00 0.00 C ATOM 566 C GLN A 35 -1.997 9.797 1.671 1.00 0.00 C ATOM 567 O GLN A 35 -2.533 9.590 2.759 1.00 0.00 O ATOM 568 CB GLN A 35 -1.111 12.119 1.239 1.00 0.00 C ATOM 569 CG GLN A 35 -0.797 12.982 0.016 1.00 0.00 C ATOM 570 CD GLN A 35 0.681 13.375 -0.013 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.370 13.375 0.994 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.129 13.708 -1.221 1.00 0.00 N ATOM 0 H GLN A 35 -3.962 11.255 2.098 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.205 10.918 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.409 12.756 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.214 11.585 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.050 12.436 -0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.415 13.879 0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.499 13.687 -2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.103 13.985 -1.345 1.00 0.00 H new ATOM 581 N LEU A 36 -1.199 8.939 1.052 1.00 0.00 N ATOM 582 CA LEU A 36 -0.893 7.646 1.638 1.00 0.00 C ATOM 583 C LEU A 36 0.608 7.564 1.927 1.00 0.00 C ATOM 584 O LEU A 36 1.427 7.824 1.047 1.00 0.00 O ATOM 585 CB LEU A 36 -1.409 6.516 0.744 1.00 0.00 C ATOM 586 CG LEU A 36 -1.324 5.105 1.329 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.132 4.649 1.450 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.064 5.020 2.666 1.00 0.00 C ATOM 0 H LEU A 36 -0.755 9.115 0.150 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.409 7.529 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.450 6.723 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.849 6.535 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.821 4.420 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.165 3.643 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.596 4.647 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.674 5.332 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.988 4.007 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.618 5.719 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.114 5.274 2.518 1.00 0.00 H new ATOM 600 N TYR A 37 0.921 7.202 3.162 1.00 0.00 N ATOM 601 CA TYR A 37 2.309 7.083 3.577 1.00 0.00 C ATOM 602 C TYR A 37 2.597 5.686 4.132 1.00 0.00 C ATOM 603 O TYR A 37 1.683 4.881 4.303 1.00 0.00 O ATOM 604 CB TYR A 37 2.504 8.112 4.693 1.00 0.00 C ATOM 605 CG TYR A 37 1.842 9.463 4.417 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.483 9.615 4.601 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.603 10.529 3.983 1.00 0.00 C ATOM 608 CE1 TYR A 37 -0.141 10.886 4.342 1.00 0.00 C ATOM 609 CE2 TYR A 37 1.979 11.801 3.723 1.00 0.00 C ATOM 610 CZ TYR A 37 0.638 11.916 3.915 1.00 0.00 C ATOM 611 OH TYR A 37 0.048 13.117 3.670 1.00 0.00 O ATOM 0 H TYR A 37 0.238 6.987 3.889 1.00 0.00 H new ATOM 0 HA TYR A 37 2.978 7.249 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.103 7.706 5.622 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.572 8.267 4.847 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.113 8.780 4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.667 10.410 3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.203 11.019 4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.563 12.644 3.383 1.00 0.00 H new ATOM 0 HH TYR A 37 0.428 13.508 2.856 1.00 0.00 H new ATOM 621 N TYR A 38 3.872 5.441 4.396 1.00 0.00 N ATOM 622 CA TYR A 38 4.292 4.156 4.928 1.00 0.00 C ATOM 623 C TYR A 38 5.647 4.269 5.629 1.00 0.00 C ATOM 624 O TYR A 38 6.563 4.911 5.118 1.00 0.00 O ATOM 625 CB TYR A 38 4.433 3.226 3.721 1.00 0.00 C ATOM 626 CG TYR A 38 5.778 3.339 3.001 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.930 2.896 3.618 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.839 3.885 1.735 1.00 0.00 C ATOM 629 CE1 TYR A 38 8.196 3.002 2.941 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.106 3.992 1.058 1.00 0.00 C ATOM 631 CZ TYR A 38 8.222 3.545 1.694 1.00 0.00 C ATOM 632 OH TYR A 38 9.417 3.646 1.054 1.00 0.00 O ATOM 0 H TYR A 38 4.628 6.111 4.251 1.00 0.00 H new ATOM 0 HA TYR A 38 3.570 3.789 5.658 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.295 2.196 4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.634 3.444 3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.882 2.470 4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.937 4.232 1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.105 2.658 3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.168 4.418 0.067 1.00 0.00 H new ATOM 0 HH TYR A 38 9.283 4.052 0.172 1.00 0.00 H new ATOM 642 N TYR A 39 5.731 3.636 6.790 1.00 0.00 N ATOM 643 CA TYR A 39 6.959 3.657 7.567 1.00 0.00 C ATOM 644 C TYR A 39 7.516 2.244 7.752 1.00 0.00 C ATOM 645 O TYR A 39 6.756 1.287 7.891 1.00 0.00 O ATOM 646 CB TYR A 39 6.582 4.227 8.936 1.00 0.00 C ATOM 647 CG TYR A 39 5.882 5.586 8.873 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.518 5.651 8.669 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.613 6.746 9.021 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.859 6.930 8.610 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.955 8.025 8.962 1.00 0.00 C ATOM 652 CZ TYR A 39 4.610 8.054 8.759 1.00 0.00 C ATOM 653 OH TYR A 39 3.988 9.262 8.704 1.00 0.00 O ATOM 0 H TYR A 39 4.969 3.105 7.211 1.00 0.00 H new ATOM 0 HA TYR A 39 7.722 4.250 7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.931 3.518 9.447 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.485 4.322 9.540 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.945 4.743 8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.680 6.695 9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.793 6.995 8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.516 8.941 9.076 1.00 0.00 H new ATOM 0 HH TYR A 39 4.648 9.976 8.827 1.00 0.00 H new ATOM 789 N GLN A 48 8.270 7.643 4.568 1.00 0.00 N ATOM 790 CA GLN A 48 9.167 7.225 3.504 1.00 0.00 C ATOM 791 C GLN A 48 8.612 7.655 2.144 1.00 0.00 C ATOM 792 O GLN A 48 9.200 8.499 1.469 1.00 0.00 O ATOM 793 CB GLN A 48 9.403 5.714 3.547 1.00 0.00 C ATOM 794 CG GLN A 48 10.399 5.346 4.649 1.00 0.00 C ATOM 795 CD GLN A 48 11.820 5.764 4.266 1.00 0.00 C ATOM 796 OE1 GLN A 48 12.055 6.403 3.253 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.751 5.370 5.130 1.00 0.00 N ATOM 0 HA GLN A 48 10.130 7.714 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.458 5.199 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.780 5.374 2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.112 5.833 5.581 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.368 4.271 4.828 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.485 4.838 5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.731 5.600 4.964 1.00 0.00 H new ATOM 806 N GLY A 49 7.488 7.054 1.783 1.00 0.00 N ATOM 807 CA GLY A 49 6.848 7.364 0.516 1.00 0.00 C ATOM 808 C GLY A 49 5.546 8.138 0.734 1.00 0.00 C ATOM 809 O GLY A 49 5.056 8.231 1.858 1.00 0.00 O ATOM 0 H GLY A 49 7.004 6.354 2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.525 7.952 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.640 6.441 -0.026 1.00 0.00 H new ATOM 813 N CYS A 50 5.023 8.674 -0.360 1.00 0.00 N ATOM 814 CA CYS A 50 3.788 9.436 -0.302 1.00 0.00 C ATOM 815 C CYS A 50 3.068 9.287 -1.644 1.00 0.00 C ATOM 816 O CYS A 50 3.648 9.552 -2.696 1.00 0.00 O ATOM 817 CB CYS A 50 4.045 10.904 0.048 1.00 0.00 C ATOM 818 SG CYS A 50 4.915 11.733 -1.332 1.00 0.00 S ATOM 0 H CYS A 50 5.432 8.595 -1.291 1.00 0.00 H new ATOM 0 HA CYS A 50 3.154 9.046 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.100 11.409 0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.642 10.970 0.958 1.00 0.00 H new ATOM 0 HG CYS A 50 4.687 11.089 -2.438 1.00 0.00 H new ATOM 824 N MET A 51 1.815 8.863 -1.563 1.00 0.00 N ATOM 825 CA MET A 51 1.010 8.676 -2.758 1.00 0.00 C ATOM 826 C MET A 51 -0.248 9.546 -2.714 1.00 0.00 C ATOM 827 O MET A 51 -1.053 9.433 -1.791 1.00 0.00 O ATOM 828 CB MET A 51 0.609 7.204 -2.878 1.00 0.00 C ATOM 829 CG MET A 51 0.555 6.768 -4.343 1.00 0.00 C ATOM 830 SD MET A 51 2.178 6.269 -4.893 1.00 0.00 S ATOM 831 CE MET A 51 1.747 4.854 -5.891 1.00 0.00 C ATOM 0 H MET A 51 1.338 8.644 -0.689 1.00 0.00 H new ATOM 0 HA MET A 51 1.603 8.972 -3.623 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.323 6.584 -2.336 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.365 7.050 -2.413 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.147 5.942 -4.459 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.189 7.587 -4.961 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.642 4.266 -6.094 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.022 4.240 -5.357 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.314 5.191 -6.833 1.00 0.00 H new ATOM 841 N TYR A 52 -0.377 10.394 -3.723 1.00 0.00 N ATOM 842 CA TYR A 52 -1.523 11.283 -3.812 1.00 0.00 C ATOM 843 C TYR A 52 -2.804 10.498 -4.102 1.00 0.00 C ATOM 844 O TYR A 52 -3.015 10.040 -5.224 1.00 0.00 O ATOM 845 CB TYR A 52 -1.238 12.223 -4.984 1.00 0.00 C ATOM 846 CG TYR A 52 -1.882 13.604 -4.845 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.866 14.253 -3.627 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.478 14.201 -5.937 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.472 15.553 -3.495 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.083 15.501 -5.805 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.050 16.113 -4.591 1.00 0.00 C ATOM 852 OH TYR A 52 -3.623 17.341 -4.467 1.00 0.00 O ATOM 0 H TYR A 52 0.293 10.485 -4.486 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.668 11.818 -2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.160 12.345 -5.085 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.594 11.759 -5.904 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.399 13.786 -2.773 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.491 13.693 -6.890 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.467 16.071 -2.547 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.553 15.980 -6.652 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.995 17.617 -5.330 1.00 0.00 H new ATOM 862 N LEU A 53 -3.627 10.367 -3.072 1.00 0.00 N ATOM 863 CA LEU A 53 -4.881 9.646 -3.202 1.00 0.00 C ATOM 864 C LEU A 53 -5.708 10.270 -4.328 1.00 0.00 C ATOM 865 O LEU A 53 -6.287 9.557 -5.147 1.00 0.00 O ATOM 866 CB LEU A 53 -5.612 9.594 -1.859 1.00 0.00 C ATOM 867 CG LEU A 53 -4.907 8.823 -0.741 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.876 8.498 0.397 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.223 7.568 -1.288 1.00 0.00 C ATOM 0 H LEU A 53 -3.449 10.749 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.696 8.608 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.779 10.616 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.593 9.147 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.126 9.461 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.349 7.950 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.276 9.424 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.695 7.888 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.729 7.038 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.968 6.917 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.483 7.853 -2.036 1.00 0.00 H new ATOM 881 N PRO A 54 -5.739 11.630 -4.334 1.00 0.00 N ATOM 882 CA PRO A 54 -6.485 12.358 -5.346 1.00 0.00 C ATOM 883 C PRO A 54 -5.754 12.334 -6.689 1.00 0.00 C ATOM 884 O PRO A 54 -5.065 13.290 -7.041 1.00 0.00 O ATOM 885 CB PRO A 54 -6.648 13.760 -4.782 1.00 0.00 C ATOM 886 CG PRO A 54 -5.594 13.897 -3.695 1.00 0.00 C ATOM 887 CD PRO A 54 -5.066 12.507 -3.380 1.00 0.00 C ATOM 0 HA PRO A 54 -7.457 11.912 -5.554 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.508 14.512 -5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.649 13.904 -4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.784 14.546 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.023 14.354 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.983 12.459 -3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.291 12.221 -2.352 1.00 0.00 H new ATOM 895 N GLY A 55 -5.929 11.232 -7.403 1.00 0.00 N ATOM 896 CA GLY A 55 -5.294 11.071 -8.700 1.00 0.00 C ATOM 897 C GLY A 55 -4.535 9.745 -8.779 1.00 0.00 C ATOM 898 O GLY A 55 -3.428 9.690 -9.313 1.00 0.00 O ATOM 0 H GLY A 55 -6.502 10.441 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.049 11.109 -9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.607 11.898 -8.878 1.00 0.00 H new ATOM 902 N CYS A 56 -5.160 8.709 -8.238 1.00 0.00 N ATOM 903 CA CYS A 56 -4.557 7.388 -8.241 1.00 0.00 C ATOM 904 C CYS A 56 -5.593 6.388 -8.758 1.00 0.00 C ATOM 905 O CYS A 56 -6.765 6.727 -8.912 1.00 0.00 O ATOM 906 CB CYS A 56 -4.033 7.002 -6.856 1.00 0.00 C ATOM 907 SG CYS A 56 -2.364 7.707 -6.599 1.00 0.00 S ATOM 0 H CYS A 56 -6.077 8.758 -7.795 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.689 7.384 -8.900 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.713 7.367 -6.086 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.997 5.917 -6.761 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.470 8.899 -6.090 1.00 0.00 H new ATOM 913 N THR A 57 -5.123 5.175 -9.011 1.00 0.00 N ATOM 914 CA THR A 57 -5.995 4.124 -9.508 1.00 0.00 C ATOM 915 C THR A 57 -5.790 2.838 -8.704 1.00 0.00 C ATOM 916 O THR A 57 -4.739 2.206 -8.793 1.00 0.00 O ATOM 917 CB THR A 57 -5.726 3.954 -11.004 1.00 0.00 C ATOM 918 OG1 THR A 57 -5.895 5.264 -11.538 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.805 3.124 -11.703 1.00 0.00 C ATOM 0 H THR A 57 -4.150 4.897 -8.881 1.00 0.00 H new ATOM 0 HA THR A 57 -7.045 4.387 -9.380 1.00 0.00 H new ATOM 0 HB THR A 57 -4.755 3.480 -11.146 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.737 5.246 -12.505 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.565 3.034 -12.763 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.847 2.131 -11.255 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.772 3.615 -11.590 1.00 0.00 H new ATOM 927 N ILE A 58 -6.813 2.489 -7.937 1.00 0.00 N ATOM 928 CA ILE A 58 -6.759 1.289 -7.118 1.00 0.00 C ATOM 929 C ILE A 58 -7.395 0.126 -7.882 1.00 0.00 C ATOM 930 O ILE A 58 -8.576 0.175 -8.223 1.00 0.00 O ATOM 931 CB ILE A 58 -7.393 1.546 -5.750 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.644 2.648 -4.997 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.482 0.254 -4.935 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.506 3.905 -4.866 1.00 0.00 C ATOM 0 H ILE A 58 -7.684 3.016 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.724 1.011 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.412 1.898 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.363 2.290 -4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.720 2.889 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.936 0.465 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.092 -0.473 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.481 -0.151 -4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.951 4.673 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.765 4.274 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.418 3.666 -4.319 1.00 0.00 H new ATOM 946 N LYS A 59 -6.584 -0.892 -8.128 1.00 0.00 N ATOM 947 CA LYS A 59 -7.053 -2.066 -8.845 1.00 0.00 C ATOM 948 C LYS A 59 -6.756 -3.317 -8.016 1.00 0.00 C ATOM 949 O LYS A 59 -5.774 -3.357 -7.276 1.00 0.00 O ATOM 950 CB LYS A 59 -6.457 -2.106 -10.254 1.00 0.00 C ATOM 951 CG LYS A 59 -7.001 -0.961 -11.112 1.00 0.00 C ATOM 952 CD LYS A 59 -5.865 -0.218 -11.818 1.00 0.00 C ATOM 953 CE LYS A 59 -5.505 -0.897 -13.141 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.494 -2.369 -12.982 1.00 0.00 N ATOM 0 H LYS A 59 -5.605 -0.929 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.134 -2.023 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.371 -2.037 -10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.691 -3.061 -10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.698 -1.355 -11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.561 -0.266 -10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.161 0.814 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.989 -0.187 -11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.224 -0.614 -13.910 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.527 -0.554 -13.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.102 -2.808 -13.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.907 -2.625 -12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.465 -2.709 -12.832 1.00 0.00 H new ATOM 968 N GLU A 60 -7.621 -4.308 -8.169 1.00 0.00 N ATOM 969 CA GLU A 60 -7.464 -5.557 -7.444 1.00 0.00 C ATOM 970 C GLU A 60 -6.692 -6.570 -8.292 1.00 0.00 C ATOM 971 O GLU A 60 -7.288 -7.452 -8.908 1.00 0.00 O ATOM 972 CB GLU A 60 -8.822 -6.120 -7.020 1.00 0.00 C ATOM 973 CG GLU A 60 -9.515 -5.187 -6.024 1.00 0.00 C ATOM 974 CD GLU A 60 -10.943 -5.657 -5.735 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.109 -6.880 -5.539 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.835 -4.782 -5.718 1.00 0.00 O ATOM 0 H GLU A 60 -8.433 -4.271 -8.785 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.891 -5.358 -6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.454 -6.255 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.688 -7.104 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.945 -5.152 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.536 -4.173 -6.424 1.00 0.00 H new ATOM 983 N ILE A 61 -5.377 -6.410 -8.296 1.00 0.00 N ATOM 984 CA ILE A 61 -4.517 -7.299 -9.059 1.00 0.00 C ATOM 985 C ILE A 61 -4.551 -8.694 -8.433 1.00 0.00 C ATOM 986 O ILE A 61 -4.430 -8.837 -7.217 1.00 0.00 O ATOM 987 CB ILE A 61 -3.109 -6.712 -9.176 1.00 0.00 C ATOM 988 CG1 ILE A 61 -3.158 -5.187 -9.292 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.344 -7.350 -10.338 1.00 0.00 C ATOM 990 CD1 ILE A 61 -4.263 -4.745 -10.254 1.00 0.00 C ATOM 0 H ILE A 61 -4.886 -5.678 -7.783 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.882 -7.398 -10.081 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.564 -6.948 -8.262 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.331 -4.749 -8.309 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.195 -4.814 -9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.346 -6.915 -10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.262 -8.424 -10.173 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.878 -7.165 -11.270 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.276 -3.657 -10.318 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.074 -5.164 -11.242 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.227 -5.098 -9.888 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.689 -10.906 -1.803 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.698 -9.549 -1.283 1.00 0.00 C ATOM 1125 C PHE A 71 -5.459 -8.778 -1.742 1.00 0.00 C ATOM 1126 O PHE A 71 -4.747 -8.196 -0.925 1.00 0.00 O ATOM 1127 CB PHE A 71 -6.683 -9.655 0.243 1.00 0.00 C ATOM 1128 CG PHE A 71 -7.614 -10.732 0.801 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -8.810 -10.975 0.200 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.247 -11.446 1.899 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -9.675 -11.975 0.719 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.112 -12.446 2.418 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.308 -12.689 1.817 1.00 0.00 C ATOM 0 HA PHE A 71 -7.578 -9.017 -1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.665 -9.863 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.964 -8.691 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.102 -10.408 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.298 -11.253 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.624 -12.168 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.820 -13.013 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 71 -9.966 -13.449 2.212 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.239 -8.798 -3.049 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.098 -8.108 -3.626 1.00 0.00 C ATOM 1145 C VAL A 72 -4.594 -6.970 -4.520 1.00 0.00 C ATOM 1146 O VAL A 72 -5.447 -7.180 -5.381 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.204 -9.104 -4.367 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.987 -8.403 -4.974 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.774 -10.247 -3.445 1.00 0.00 C ATOM 0 H VAL A 72 -5.832 -9.281 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.485 -7.662 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.786 -9.532 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.368 -9.134 -5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.320 -7.641 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.404 -7.934 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.139 -10.941 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.219 -9.843 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.657 -10.773 -3.082 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.039 -5.790 -4.285 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.415 -4.619 -5.058 1.00 0.00 C ATOM 1161 C PHE A 73 -3.232 -3.662 -5.214 1.00 0.00 C ATOM 1162 O PHE A 73 -2.455 -3.473 -4.279 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.530 -3.912 -4.285 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.047 -3.167 -3.039 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.644 -3.865 -1.943 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -5.021 -1.807 -3.027 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.196 -3.174 -0.787 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.573 -1.116 -1.870 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.170 -1.814 -0.774 1.00 0.00 C ATOM 0 H PHE A 73 -3.332 -5.620 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.738 -4.919 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.027 -3.205 -4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.277 -4.649 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.665 -4.945 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.341 -1.253 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.876 -3.728 0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.552 -0.036 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.830 -1.289 0.106 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.132 -3.083 -6.402 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.057 -2.150 -6.692 1.00 0.00 C ATOM 1181 C GLU A 74 -2.618 -0.743 -6.903 1.00 0.00 C ATOM 1182 O GLU A 74 -3.738 -0.583 -7.385 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.248 -2.607 -7.908 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.569 -1.748 -9.133 1.00 0.00 C ATOM 1185 CD GLU A 74 -3.016 -1.954 -9.584 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -3.787 -2.516 -8.776 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -3.319 -1.546 -10.726 1.00 0.00 O ATOM 0 H GLU A 74 -3.778 -3.242 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.382 -2.126 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.183 -2.545 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.468 -3.652 -8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.404 -0.697 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.891 -2.002 -9.948 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.813 0.242 -6.531 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.215 1.631 -6.674 1.00 0.00 C ATOM 1196 C ILE A 75 -1.314 2.315 -7.704 1.00 0.00 C ATOM 1197 O ILE A 75 -0.090 2.245 -7.606 1.00 0.00 O ATOM 1198 CB ILE A 75 -2.231 2.327 -5.311 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.956 1.474 -4.268 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.828 3.732 -5.420 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.144 1.381 -2.975 1.00 0.00 C ATOM 0 H ILE A 75 -0.885 0.106 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.236 1.696 -7.051 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.201 2.441 -4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.935 1.905 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.128 0.474 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.828 4.205 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.231 4.328 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.851 3.665 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.682 0.769 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.176 0.927 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.995 2.380 -2.566 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.954 2.962 -8.667 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.226 3.658 -9.713 1.00 0.00 C ATOM 1215 C ILE A 76 -1.371 5.168 -9.512 1.00 0.00 C ATOM 1216 O ILE A 76 -2.479 5.670 -9.332 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.678 3.175 -11.093 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.504 1.661 -11.228 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.954 3.937 -12.205 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.858 0.966 -11.383 1.00 0.00 C ATOM 0 H ILE A 76 -2.969 3.019 -8.744 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.162 3.429 -9.653 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.742 3.387 -11.198 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.876 1.439 -12.091 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.989 1.271 -10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.294 3.574 -13.175 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.173 5.001 -12.119 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.121 3.779 -12.114 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.706 -0.109 -11.477 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.474 1.170 -10.507 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.360 1.341 -12.275 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.205 5.868 -9.551 1.00 0.00 N ATOM 1233 CA PRO A 77 -0.192 7.310 -9.375 1.00 0.00 C ATOM 1234 C PRO A 77 -0.700 8.020 -10.631 1.00 0.00 C ATOM 1235 O PRO A 77 -0.707 7.441 -11.716 1.00 0.00 O ATOM 1236 CB PRO A 77 1.251 7.652 -9.041 1.00 0.00 C ATOM 1237 CG PRO A 77 2.078 6.461 -9.498 1.00 0.00 C ATOM 1238 CD PRO A 77 1.126 5.306 -9.762 1.00 0.00 C ATOM 0 HA PRO A 77 -0.860 7.643 -8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.564 8.563 -9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.374 7.826 -7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.637 6.708 -10.400 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.807 6.188 -8.736 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.238 4.924 -10.777 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.316 4.473 -9.085 1.00 0.00 H new ATOM 1411 N SER A 89 3.829 1.435 -9.979 1.00 0.00 N ATOM 1412 CA SER A 89 2.634 1.432 -9.153 1.00 0.00 C ATOM 1413 C SER A 89 2.986 1.011 -7.725 1.00 0.00 C ATOM 1414 O SER A 89 4.159 0.971 -7.357 1.00 0.00 O ATOM 1415 CB SER A 89 1.566 0.502 -9.732 1.00 0.00 C ATOM 1416 OG SER A 89 1.880 -0.871 -9.517 1.00 0.00 O ATOM 0 HA SER A 89 2.227 2.443 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.602 0.729 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.465 0.688 -10.801 1.00 0.00 H new ATOM 0 HG SER A 89 2.852 -0.991 -9.538 1.00 0.00 H new ATOM 1422 N TYR A 90 1.949 0.707 -6.958 1.00 0.00 N ATOM 1423 CA TYR A 90 2.135 0.290 -5.579 1.00 0.00 C ATOM 1424 C TYR A 90 1.384 -1.013 -5.294 1.00 0.00 C ATOM 1425 O TYR A 90 0.212 -0.990 -4.923 1.00 0.00 O ATOM 1426 CB TYR A 90 1.540 1.405 -4.718 1.00 0.00 C ATOM 1427 CG TYR A 90 2.553 2.086 -3.795 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.794 2.446 -4.279 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.225 2.340 -2.479 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.747 3.087 -3.411 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.178 2.981 -1.610 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.392 3.323 -2.119 1.00 0.00 C ATOM 1433 OH TYR A 90 5.293 3.928 -1.299 1.00 0.00 O ATOM 0 H TYR A 90 0.977 0.741 -7.266 1.00 0.00 H new ATOM 0 HA TYR A 90 3.191 0.117 -5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.096 2.157 -5.371 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.733 0.992 -4.113 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.050 2.247 -5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.254 2.058 -2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.722 3.374 -3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.934 3.185 -0.578 1.00 0.00 H new ATOM 0 HH TYR A 90 5.264 3.507 -0.414 1.00 0.00 H new ATOM 1443 N VAL A 91 2.092 -2.118 -5.479 1.00 0.00 N ATOM 1444 CA VAL A 91 1.507 -3.428 -5.247 1.00 0.00 C ATOM 1445 C VAL A 91 1.379 -3.665 -3.741 1.00 0.00 C ATOM 1446 O VAL A 91 2.337 -4.081 -3.091 1.00 0.00 O ATOM 1447 CB VAL A 91 2.336 -4.504 -5.953 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.766 -5.898 -5.685 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.427 -4.227 -7.455 1.00 0.00 C ATOM 0 H VAL A 91 3.064 -2.133 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 91 0.504 -3.479 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 91 3.346 -4.472 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.373 -6.644 -6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.777 -6.096 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.741 -5.949 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.021 -5.006 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.425 -4.219 -7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.899 -3.258 -7.618 1.00 0.00 H new ATOM 1459 N LEU A 92 0.188 -3.390 -3.230 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.078 -3.568 -1.813 1.00 0.00 C ATOM 1461 C LEU A 92 -0.921 -4.829 -1.611 1.00 0.00 C ATOM 1462 O LEU A 92 -1.791 -5.135 -2.424 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.710 -2.305 -1.224 1.00 0.00 C ATOM 1464 CG LEU A 92 0.014 -0.991 -1.523 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.487 0.131 -0.611 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.531 -1.168 -1.434 1.00 0.00 C ATOM 0 H LEU A 92 -0.604 -3.045 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 92 0.853 -3.716 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.732 -2.227 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.773 -2.424 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.216 -0.700 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.044 1.054 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.556 0.278 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.307 -0.138 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.021 -0.219 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.801 -1.495 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.853 -1.917 -2.158 1.00 0.00 H new ATOM 1478 N MET A 93 -0.632 -5.527 -0.522 1.00 0.00 N ATOM 1479 CA MET A 93 -1.353 -6.747 -0.203 1.00 0.00 C ATOM 1480 C MET A 93 -1.760 -6.774 1.272 1.00 0.00 C ATOM 1481 O MET A 93 -0.938 -6.523 2.151 1.00 0.00 O ATOM 1482 CB MET A 93 -0.468 -7.957 -0.510 1.00 0.00 C ATOM 1483 CG MET A 93 -1.141 -9.256 -0.063 1.00 0.00 C ATOM 1484 SD MET A 93 -0.011 -10.221 0.927 1.00 0.00 S ATOM 1485 CE MET A 93 1.282 -10.506 -0.270 1.00 0.00 C ATOM 0 H MET A 93 0.091 -5.271 0.150 1.00 0.00 H new ATOM 0 HA MET A 93 -2.257 -6.782 -0.811 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.262 -7.999 -1.580 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.492 -7.848 -0.005 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.039 -9.031 0.512 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.456 -9.830 -0.934 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.403 -11.578 -0.427 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.016 -10.029 -1.213 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.218 -10.085 0.098 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.030 -7.079 1.496 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.557 -7.142 2.849 1.00 0.00 C ATOM 1497 C ALA A 94 -3.604 -8.601 3.306 1.00 0.00 C ATOM 1498 O ALA A 94 -3.561 -9.515 2.484 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.932 -6.472 2.893 1.00 0.00 C ATOM 0 H ALA A 94 -3.709 -7.285 0.764 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.909 -6.602 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.327 -6.519 3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.839 -5.430 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.611 -6.989 2.215 1.00 0.00 H new ATOM 1505 N SER A 95 -3.691 -8.774 4.617 1.00 0.00 N ATOM 1506 CA SER A 95 -3.744 -10.107 5.194 1.00 0.00 C ATOM 1507 C SER A 95 -5.181 -10.447 5.593 1.00 0.00 C ATOM 1508 O SER A 95 -5.406 -11.153 6.575 1.00 0.00 O ATOM 1509 CB SER A 95 -2.816 -10.221 6.405 1.00 0.00 C ATOM 1510 OG SER A 95 -1.573 -10.832 6.069 1.00 0.00 O ATOM 0 H SER A 95 -3.726 -8.014 5.296 1.00 0.00 H new ATOM 0 HA SER A 95 -3.404 -10.819 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.633 -9.228 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.307 -10.803 7.185 1.00 0.00 H new ATOM 0 HG SER A 95 -1.008 -10.885 6.868 1.00 0.00 H new ATOM 1516 N SER A 96 -6.117 -9.930 4.811 1.00 0.00 N ATOM 1517 CA SER A 96 -7.526 -10.170 5.070 1.00 0.00 C ATOM 1518 C SER A 96 -8.384 -9.363 4.093 1.00 0.00 C ATOM 1519 O SER A 96 -7.979 -8.292 3.646 1.00 0.00 O ATOM 1520 CB SER A 96 -7.889 -9.815 6.514 1.00 0.00 C ATOM 1521 OG SER A 96 -9.257 -9.437 6.643 1.00 0.00 O ATOM 0 H SER A 96 -5.927 -9.345 3.997 1.00 0.00 H new ATOM 0 HA SER A 96 -7.724 -11.232 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.687 -10.670 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.253 -8.999 6.857 1.00 0.00 H new ATOM 0 HG SER A 96 -9.450 -9.220 7.579 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.553 -9.909 3.791 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.470 -9.253 2.875 1.00 0.00 C ATOM 1529 C GLN A 97 -10.992 -7.952 3.488 1.00 0.00 C ATOM 1530 O GLN A 97 -11.057 -6.926 2.813 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.625 -10.182 2.497 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.387 -9.644 1.284 1.00 0.00 C ATOM 1533 CD GLN A 97 -12.626 -10.749 0.253 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.286 -11.742 0.509 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -12.053 -10.521 -0.926 1.00 0.00 N ATOM 0 H GLN A 97 -9.886 -10.798 4.164 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.928 -9.010 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.239 -11.177 2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.306 -10.285 3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.342 -9.228 1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.823 -8.831 0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.513 -9.668 -1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.154 -11.199 -1.682 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.350 -8.036 4.761 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.864 -6.878 5.472 1.00 0.00 C ATOM 1546 C ALA A 98 -10.766 -5.817 5.572 1.00 0.00 C ATOM 1547 O ALA A 98 -11.055 -4.624 5.645 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.383 -7.311 6.845 1.00 0.00 C ATOM 0 H ALA A 98 -11.294 -8.888 5.318 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.701 -6.436 4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.769 -6.442 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.181 -8.043 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.570 -7.757 7.417 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.528 -6.291 5.572 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.385 -5.399 5.662 1.00 0.00 C ATOM 1556 C GLU A 99 -8.201 -4.639 4.347 1.00 0.00 C ATOM 1557 O GLU A 99 -7.987 -3.427 4.350 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.116 -6.169 6.032 1.00 0.00 C ATOM 1559 CG GLU A 99 -5.983 -5.211 6.406 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.949 -4.965 7.916 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -6.958 -4.435 8.428 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -4.914 -5.313 8.524 1.00 0.00 O ATOM 0 H GLU A 99 -9.292 -7.281 5.511 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.575 -4.675 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.323 -6.838 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.807 -6.793 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.029 -5.625 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.115 -4.264 5.883 1.00 0.00 H new ATOM 1569 N MET A 100 -8.291 -5.381 3.253 1.00 0.00 N ATOM 1570 CA MET A 100 -8.136 -4.792 1.934 1.00 0.00 C ATOM 1571 C MET A 100 -9.333 -3.905 1.586 1.00 0.00 C ATOM 1572 O MET A 100 -9.164 -2.811 1.050 1.00 0.00 O ATOM 1573 CB MET A 100 -8.005 -5.904 0.890 1.00 0.00 C ATOM 1574 CG MET A 100 -7.875 -5.321 -0.518 1.00 0.00 C ATOM 1575 SD MET A 100 -9.493 -4.990 -1.194 1.00 0.00 S ATOM 1576 CE MET A 100 -10.241 -6.601 -1.011 1.00 0.00 C ATOM 0 H MET A 100 -8.469 -6.385 3.253 1.00 0.00 H new ATOM 0 HA MET A 100 -7.238 -4.175 1.936 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.133 -6.518 1.115 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.876 -6.557 0.938 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.290 -4.402 -0.487 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.339 -6.019 -1.161 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.991 -6.744 -1.789 1.00 0.00 H new ATOM 0 HE2 MET A 100 -9.474 -7.370 -1.100 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.715 -6.673 -0.032 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.516 -4.409 1.906 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.740 -3.675 1.635 1.00 0.00 C ATOM 1588 C GLU A 101 -11.708 -2.312 2.329 1.00 0.00 C ATOM 1589 O GLU A 101 -12.097 -1.303 1.743 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.968 -4.480 2.064 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.734 -5.004 0.847 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.034 -3.874 -0.140 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.803 -2.969 0.250 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.487 -3.941 -1.262 1.00 0.00 O ATOM 0 H GLU A 101 -10.653 -5.317 2.350 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.811 -3.511 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.658 -5.316 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.624 -3.854 2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.150 -5.779 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.667 -5.466 1.171 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.240 -2.326 3.569 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.151 -1.104 4.350 1.00 0.00 C ATOM 1603 C GLU A 102 -10.200 -0.112 3.677 1.00 0.00 C ATOM 1604 O GLU A 102 -10.630 0.932 3.189 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.709 -1.401 5.784 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.300 -0.382 6.761 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.828 -0.370 6.684 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.399 -1.477 6.579 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.390 0.746 6.731 1.00 0.00 O ATOM 0 H GLU A 102 -10.918 -3.165 4.052 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.142 -0.653 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.025 -2.406 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.621 -1.380 5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.986 -0.622 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.913 0.611 6.534 1.00 0.00 H new ATOM 1616 N TRP A 103 -8.925 -0.474 3.672 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.910 0.371 3.068 1.00 0.00 C ATOM 1618 C TRP A 103 -8.450 0.874 1.727 1.00 0.00 C ATOM 1619 O TRP A 103 -8.584 2.079 1.521 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.582 -0.377 2.934 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.679 -0.266 4.164 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.427 -1.203 5.089 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -4.914 0.889 4.568 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.559 -0.738 6.056 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.237 0.574 5.729 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -4.798 2.157 3.973 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.396 1.475 6.394 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -3.954 3.046 4.650 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.265 2.745 5.819 1.00 0.00 C ATOM 0 H TRP A 103 -8.572 -1.341 4.077 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.697 1.231 3.703 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.788 -1.430 2.741 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.046 0.008 2.066 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.850 -2.197 5.079 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.217 -1.261 6.862 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.319 2.425 3.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.876 1.205 7.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.830 4.035 4.235 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.631 3.487 6.282 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.746 -0.075 0.852 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.269 0.257 -0.463 1.00 0.00 C ATOM 1642 C VAL A 104 -10.411 1.264 -0.314 1.00 0.00 C ATOM 1643 O VAL A 104 -10.356 2.358 -0.873 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.689 -1.019 -1.196 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.645 -0.700 -2.347 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.467 -1.791 -1.697 1.00 0.00 C ATOM 0 H VAL A 104 -8.634 -1.074 1.027 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.498 0.728 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.219 -1.654 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.928 -1.624 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.537 -0.213 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.151 -0.036 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.794 -2.693 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.898 -1.165 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.838 -2.066 -0.850 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.420 0.859 0.443 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.573 1.712 0.673 1.00 0.00 C ATOM 1658 C LYS A 105 -12.104 3.155 0.870 1.00 0.00 C ATOM 1659 O LYS A 105 -12.454 4.037 0.088 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.414 1.175 1.833 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.473 2.194 2.260 1.00 0.00 C ATOM 1662 CD LYS A 105 -15.582 1.524 3.074 1.00 0.00 C ATOM 1663 CE LYS A 105 -15.648 2.100 4.490 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.740 3.093 4.595 1.00 0.00 N ATOM 0 H LYS A 105 -11.463 -0.049 0.905 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.230 1.706 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.898 0.245 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.767 0.942 2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.007 2.981 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.901 2.670 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.541 1.666 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.404 0.450 3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.809 1.296 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.697 2.568 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.771 3.474 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.570 3.868 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.648 2.636 4.374 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.318 3.350 1.919 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.797 4.670 2.228 1.00 0.00 C ATOM 1680 C PHE A 106 -9.977 5.223 1.061 1.00 0.00 C ATOM 1681 O PHE A 106 -10.173 6.364 0.646 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.886 4.517 3.448 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.634 4.478 4.782 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.000 5.639 5.390 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.933 3.284 5.360 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.695 5.603 6.628 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.627 3.248 6.599 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.993 4.409 7.206 1.00 0.00 C ATOM 0 H PHE A 106 -11.030 2.616 2.565 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.620 5.359 2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.305 3.601 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.177 5.344 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.762 6.587 4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.643 2.363 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -11.987 6.524 7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.864 2.300 7.059 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.521 4.382 8.148 1.00 0.00 H new ATOM 1698 N LEU A 107 -9.075 4.389 0.565 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.225 4.780 -0.546 1.00 0.00 C ATOM 1700 C LEU A 107 -9.098 5.276 -1.701 1.00 0.00 C ATOM 1701 O LEU A 107 -9.108 6.467 -2.009 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.287 3.635 -0.932 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.175 3.312 0.069 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.602 1.916 -0.181 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -5.089 4.389 0.049 1.00 0.00 C ATOM 0 H LEU A 107 -8.914 3.444 0.913 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.578 5.608 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.885 2.736 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.827 3.876 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.607 3.309 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.814 1.711 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.393 1.174 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.190 1.867 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.311 4.135 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.654 4.449 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.527 5.352 0.312 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.809 4.337 -2.308 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.683 4.664 -3.422 1.00 0.00 C ATOM 1719 C ARG A 108 -11.592 5.839 -3.057 1.00 0.00 C ATOM 1720 O ARG A 108 -11.826 6.725 -3.877 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.546 3.463 -3.816 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.355 3.111 -5.292 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.519 1.607 -5.523 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.752 1.338 -6.959 1.00 0.00 N ATOM 1725 CZ ARG A 108 -12.906 1.589 -7.593 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.939 2.116 -6.922 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -13.027 1.312 -8.899 1.00 0.00 N ATOM 0 H ARG A 108 -9.798 3.350 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.053 4.937 -4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.285 2.605 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.596 3.687 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.080 3.656 -5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.365 3.427 -5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.627 1.080 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.354 1.229 -4.934 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.987 0.936 -7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.848 2.326 -5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.817 2.307 -7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -12.241 0.910 -9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.905 1.503 -9.382 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.079 5.808 -1.825 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.958 6.859 -1.342 1.00 0.00 C ATOM 1743 C ARG A 109 -12.288 8.225 -1.500 1.00 0.00 C ATOM 1744 O ARG A 109 -12.773 9.076 -2.245 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.317 6.643 0.130 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.153 7.807 0.667 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.822 7.436 1.992 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.262 7.169 1.774 1.00 0.00 N ATOM 1749 CZ ARG A 109 -17.158 8.109 1.446 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.770 9.382 1.295 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.444 7.775 1.268 1.00 0.00 N ATOM 0 H ARG A 109 -11.881 5.072 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.871 6.827 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.872 5.711 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.406 6.543 0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.517 8.681 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.913 8.081 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.341 6.556 2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.698 8.246 2.711 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.592 6.210 1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.791 9.636 1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.453 10.097 1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.740 6.806 1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.127 8.490 1.018 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.183 8.394 -0.788 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.442 9.642 -0.840 1.00 0.00 C ATOM 1767 C VAL A 110 -10.075 9.952 -2.293 1.00 0.00 C ATOM 1768 O VAL A 110 -10.295 11.065 -2.769 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.222 9.565 0.081 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.344 10.810 -0.068 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.647 9.364 1.537 1.00 0.00 C ATOM 0 H VAL A 110 -10.783 7.686 -0.172 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.056 10.466 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.630 8.700 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.484 10.730 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.999 10.891 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.923 11.696 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.762 9.313 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.271 10.200 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.212 8.436 1.626 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.523 8.948 -2.958 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.124 9.099 -4.347 1.00 0.00 C ATOM 1783 C ALA A 111 -10.321 9.584 -5.167 1.00 0.00 C ATOM 1784 O ALA A 111 -10.152 10.279 -6.168 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.562 7.773 -4.864 1.00 0.00 C ATOM 0 H ALA A 111 -9.343 8.026 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.336 9.846 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.263 7.886 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.696 7.487 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.326 7.000 -4.788 1.00 0.00 H new