USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 717 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 Single : A 15 THR OG1 : rot 1:sc= 0.252 USER MOD Single : A 17 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.2!) USER MOD Single : A 18 ASN : amide:sc= -3.41! K(o=-3.4!,f=-2.6) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -49:sc= 0.911 USER MOD Single : A 37 SER OG : rot -153:sc= -0.541 USER MOD Single : A 39 SER OG : rot 180:sc= -0.875 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -106:sc= 0.0137 (180deg=-0.576) USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= -1.07 (180deg=-2.93!) USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.0382 (180deg=-1.14) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.96! K(o=-3!,f=-0.65) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00294) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.022) USER MOD Single : A 78 ASN : amide:sc= -2.35! K(o=-2.3!,f=-2.9) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00334 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -3.29! K(o=-3.3!,f=-1.3) USER MOD Single : A 95 CYS SG : rot 180:sc= -3.1! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 72:sc= -0.971 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 9.625 12.146 4.934 1.00 0.00 N ATOM 67 CA VAL A 8 8.405 11.353 4.837 1.00 0.00 C ATOM 68 C VAL A 8 7.263 12.173 4.247 1.00 0.00 C ATOM 69 O VAL A 8 7.157 13.375 4.491 1.00 0.00 O ATOM 70 CB VAL A 8 7.976 10.812 6.213 1.00 0.00 C ATOM 71 CG1 VAL A 8 6.759 9.909 6.077 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.127 10.072 6.877 1.00 0.00 C ATOM 0 HA VAL A 8 8.625 10.513 4.178 1.00 0.00 H new ATOM 0 HB VAL A 8 7.703 11.656 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.471 9.536 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.933 10.475 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.001 9.068 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.806 9.696 7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.433 9.236 6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.968 10.752 7.011 1.00 0.00 H new ATOM 82 N ILE A 9 6.410 11.515 3.469 1.00 0.00 N ATOM 83 CA ILE A 9 5.275 12.182 2.845 1.00 0.00 C ATOM 84 C ILE A 9 3.972 11.830 3.555 1.00 0.00 C ATOM 85 O ILE A 9 3.137 12.698 3.808 1.00 0.00 O ATOM 86 CB ILE A 9 5.152 11.810 1.355 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.496 11.993 0.648 1.00 0.00 C ATOM 88 CG2 ILE A 9 4.076 12.652 0.686 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.578 11.287 -0.687 1.00 0.00 C ATOM 0 H ILE A 9 6.484 10.520 3.256 1.00 0.00 H new ATOM 0 HA ILE A 9 5.454 13.254 2.929 1.00 0.00 H new ATOM 0 HB ILE A 9 4.864 10.761 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.677 13.057 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.291 11.623 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.001 12.378 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.119 12.475 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.336 13.707 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.558 11.460 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.429 10.217 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.805 11.674 -1.351 1.00 0.00 H new ATOM 101 N ARG A 10 3.806 10.551 3.875 1.00 0.00 N ATOM 102 CA ARG A 10 2.605 10.084 4.557 1.00 0.00 C ATOM 103 C ARG A 10 2.895 8.823 5.366 1.00 0.00 C ATOM 104 O ARG A 10 3.769 8.032 5.010 1.00 0.00 O ATOM 105 CB ARG A 10 1.493 9.807 3.544 1.00 0.00 C ATOM 106 CG ARG A 10 0.172 9.410 4.183 1.00 0.00 C ATOM 107 CD ARG A 10 -0.695 10.625 4.471 1.00 0.00 C ATOM 108 NE ARG A 10 -1.795 10.310 5.379 1.00 0.00 N ATOM 109 CZ ARG A 10 -1.661 10.242 6.699 1.00 0.00 C ATOM 110 NH1 ARG A 10 -0.481 10.467 7.262 1.00 0.00 N ATOM 111 NH2 ARG A 10 -2.708 9.950 7.459 1.00 0.00 N ATOM 0 H ARG A 10 4.488 9.820 3.673 1.00 0.00 H new ATOM 0 HA ARG A 10 2.278 10.867 5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.339 10.697 2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.815 9.012 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.363 8.729 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.363 8.870 5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.081 11.414 4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.097 11.013 3.535 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.716 10.133 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.326 10.693 6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.381 10.414 8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.617 9.777 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.604 9.898 8.472 1.00 0.00 H new ATOM 125 N ARG A 11 2.157 8.643 6.457 1.00 0.00 N ATOM 126 CA ARG A 11 2.336 7.481 7.317 1.00 0.00 C ATOM 127 C ARG A 11 1.017 7.081 7.973 1.00 0.00 C ATOM 128 O ARG A 11 0.140 7.917 8.186 1.00 0.00 O ATOM 129 CB ARG A 11 3.385 7.772 8.393 1.00 0.00 C ATOM 130 CG ARG A 11 4.810 7.791 7.864 1.00 0.00 C ATOM 131 CD ARG A 11 5.818 7.536 8.973 1.00 0.00 C ATOM 132 NE ARG A 11 5.635 8.447 10.100 1.00 0.00 N ATOM 133 CZ ARG A 11 6.275 8.322 11.258 1.00 0.00 C ATOM 134 NH1 ARG A 11 7.134 7.330 11.440 1.00 0.00 N ATOM 135 NH2 ARG A 11 6.055 9.192 12.236 1.00 0.00 N ATOM 0 H ARG A 11 1.429 9.288 6.766 1.00 0.00 H new ATOM 0 HA ARG A 11 2.680 6.653 6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.164 8.735 8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.307 7.019 9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.922 7.034 7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.014 8.756 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.723 6.507 9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.828 7.647 8.578 1.00 0.00 H new ATOM 0 HE ARG A 11 4.980 9.222 9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.306 6.660 10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.624 7.236 12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.394 9.957 12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.546 9.096 13.125 1.00 0.00 H new ATOM 149 N GLY A 12 0.885 5.796 8.289 1.00 0.00 N ATOM 150 CA GLY A 12 -0.329 5.308 8.916 1.00 0.00 C ATOM 151 C GLY A 12 -0.418 3.795 8.909 1.00 0.00 C ATOM 152 O GLY A 12 0.168 3.137 8.050 1.00 0.00 O ATOM 0 H GLY A 12 1.597 5.085 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.372 5.667 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.194 5.722 8.397 1.00 0.00 H new ATOM 156 N TRP A 13 -1.150 3.242 9.869 1.00 0.00 N ATOM 157 CA TRP A 13 -1.312 1.796 9.970 1.00 0.00 C ATOM 158 C TRP A 13 -2.242 1.275 8.881 1.00 0.00 C ATOM 159 O TRP A 13 -3.426 1.613 8.847 1.00 0.00 O ATOM 160 CB TRP A 13 -1.858 1.419 11.348 1.00 0.00 C ATOM 161 CG TRP A 13 -0.922 1.754 12.470 1.00 0.00 C ATOM 162 CD1 TRP A 13 -0.694 2.989 13.006 1.00 0.00 C ATOM 163 CD2 TRP A 13 -0.088 0.841 13.192 1.00 0.00 C ATOM 164 NE1 TRP A 13 0.232 2.899 14.017 1.00 0.00 N ATOM 165 CE2 TRP A 13 0.618 1.592 14.152 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.130 -0.537 13.122 1.00 0.00 C ATOM 167 CZ2 TRP A 13 1.526 1.009 15.032 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.031 -1.114 13.996 1.00 0.00 C ATOM 169 CH2 TRP A 13 1.720 -0.342 14.941 1.00 0.00 C ATOM 0 H TRP A 13 -1.641 3.773 10.589 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.333 1.335 9.836 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.805 1.934 11.509 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.069 0.350 11.367 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.171 3.902 12.683 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.576 3.679 14.576 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.396 -1.141 12.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.058 1.602 15.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.207 -2.179 13.950 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.418 -0.823 15.610 1.00 0.00 H new ATOM 180 N LEU A 14 -1.700 0.450 7.992 1.00 0.00 N ATOM 181 CA LEU A 14 -2.483 -0.120 6.900 1.00 0.00 C ATOM 182 C LEU A 14 -2.659 -1.624 7.083 1.00 0.00 C ATOM 183 O LEU A 14 -1.788 -2.300 7.630 1.00 0.00 O ATOM 184 CB LEU A 14 -1.807 0.167 5.558 1.00 0.00 C ATOM 185 CG LEU A 14 -2.153 1.505 4.904 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.259 1.758 3.700 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.620 1.536 4.498 1.00 0.00 C ATOM 0 H LEU A 14 -0.722 0.161 8.005 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.468 0.346 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.727 0.124 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.068 -0.632 4.864 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.981 2.299 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.520 2.715 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.217 1.780 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.398 0.961 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.849 2.495 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.818 0.733 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.245 1.402 5.381 1.00 0.00 H new ATOM 199 N THR A 15 -3.792 -2.143 6.619 1.00 0.00 N ATOM 200 CA THR A 15 -4.082 -3.567 6.730 1.00 0.00 C ATOM 201 C THR A 15 -4.053 -4.242 5.363 1.00 0.00 C ATOM 202 O THR A 15 -4.976 -4.084 4.563 1.00 0.00 O ATOM 203 CB THR A 15 -5.456 -3.810 7.381 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.482 -3.244 8.697 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.762 -5.299 7.458 1.00 0.00 C ATOM 0 H THR A 15 -4.524 -1.598 6.163 1.00 0.00 H new ATOM 0 HA THR A 15 -3.307 -4.000 7.362 1.00 0.00 H new ATOM 0 HB THR A 15 -6.216 -3.330 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.622 -2.814 8.885 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.738 -5.446 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.770 -5.721 6.453 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.998 -5.797 8.055 1.00 0.00 H new ATOM 213 N ILE A 16 -2.990 -4.995 5.103 1.00 0.00 N ATOM 214 CA ILE A 16 -2.843 -5.695 3.834 1.00 0.00 C ATOM 215 C ILE A 16 -3.884 -6.800 3.692 1.00 0.00 C ATOM 216 O ILE A 16 -3.685 -7.919 4.163 1.00 0.00 O ATOM 217 CB ILE A 16 -1.437 -6.308 3.688 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.368 -5.218 3.794 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.317 -7.049 2.365 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.999 -5.748 4.165 1.00 0.00 C ATOM 0 H ILE A 16 -2.218 -5.136 5.755 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.991 -4.956 3.047 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.282 -7.022 4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.299 -4.694 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.680 -4.486 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.318 -7.476 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.058 -7.847 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.489 -6.355 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.707 -4.921 4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.945 -6.247 5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.332 -6.458 3.408 1.00 0.00 H new ATOM 232 N ASN A 17 -4.995 -6.478 3.036 1.00 0.00 N ATOM 233 CA ASN A 17 -6.068 -7.444 2.831 1.00 0.00 C ATOM 234 C ASN A 17 -5.595 -8.606 1.962 1.00 0.00 C ATOM 235 O ASN A 17 -6.026 -9.744 2.141 1.00 0.00 O ATOM 236 CB ASN A 17 -7.275 -6.766 2.181 1.00 0.00 C ATOM 237 CG ASN A 17 -8.231 -6.183 3.205 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.054 -6.364 4.409 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.251 -5.479 2.728 1.00 0.00 N ATOM 0 H ASN A 17 -5.175 -5.556 2.638 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.361 -7.837 3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.929 -5.973 1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.806 -7.490 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.927 -5.063 3.368 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.358 -5.355 1.721 1.00 0.00 H new ATOM 246 N ASN A 18 -4.705 -8.309 1.020 1.00 0.00 N ATOM 247 CA ASN A 18 -4.173 -9.329 0.123 1.00 0.00 C ATOM 248 C ASN A 18 -3.567 -10.485 0.912 1.00 0.00 C ATOM 249 O ASN A 18 -4.116 -11.587 0.937 1.00 0.00 O ATOM 250 CB ASN A 18 -3.119 -8.721 -0.805 1.00 0.00 C ATOM 251 CG ASN A 18 -2.833 -9.599 -2.008 1.00 0.00 C ATOM 252 OD1 ASN A 18 -3.389 -10.689 -2.141 1.00 0.00 O ATOM 253 ND2 ASN A 18 -1.962 -9.126 -2.892 1.00 0.00 N ATOM 0 H ASN A 18 -4.337 -7.371 0.858 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.997 -9.716 -0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.459 -7.743 -1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.196 -8.562 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.730 -9.672 -3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.525 -8.217 -2.741 1.00 0.00 H new ATOM 395 N GLU A 28 -2.036 -6.250 9.625 1.00 0.00 N ATOM 396 CA GLU A 28 -1.801 -4.829 9.850 1.00 0.00 C ATOM 397 C GLU A 28 -0.307 -4.523 9.885 1.00 0.00 C ATOM 398 O GLU A 28 0.485 -5.302 10.415 1.00 0.00 O ATOM 399 CB GLU A 28 -2.455 -4.383 11.159 1.00 0.00 C ATOM 400 CG GLU A 28 -2.102 -2.961 11.562 1.00 0.00 C ATOM 401 CD GLU A 28 -2.647 -1.928 10.595 1.00 0.00 C ATOM 402 OE1 GLU A 28 -3.882 -1.743 10.559 1.00 0.00 O ATOM 403 OE2 GLU A 28 -1.840 -1.305 9.875 1.00 0.00 O ATOM 0 HA GLU A 28 -2.247 -4.278 9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.537 -4.466 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.154 -5.063 11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.494 -2.762 12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.018 -2.862 11.620 1.00 0.00 H new ATOM 410 N TYR A 29 0.071 -3.383 9.316 1.00 0.00 N ATOM 411 CA TYR A 29 1.470 -2.975 9.279 1.00 0.00 C ATOM 412 C TYR A 29 1.594 -1.454 9.280 1.00 0.00 C ATOM 413 O TYR A 29 0.607 -0.740 9.102 1.00 0.00 O ATOM 414 CB TYR A 29 2.160 -3.554 8.043 1.00 0.00 C ATOM 415 CG TYR A 29 2.537 -5.011 8.186 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.650 -6.017 7.824 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.779 -5.382 8.685 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.989 -7.350 7.953 1.00 0.00 C ATOM 419 CE2 TYR A 29 4.128 -6.712 8.817 1.00 0.00 C ATOM 420 CZ TYR A 29 3.230 -7.692 8.450 1.00 0.00 C ATOM 421 OH TYR A 29 3.573 -9.018 8.581 1.00 0.00 O ATOM 0 H TYR A 29 -0.572 -2.726 8.874 1.00 0.00 H new ATOM 0 HA TYR A 29 1.959 -3.362 10.173 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.500 -3.441 7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.059 -2.974 7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.678 -5.752 7.435 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.484 -4.617 8.975 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.287 -8.119 7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.099 -6.983 9.205 1.00 0.00 H new ATOM 0 HH TYR A 29 4.481 -9.087 8.944 1.00 0.00 H new ATOM 431 N TRP A 30 2.813 -0.967 9.479 1.00 0.00 N ATOM 432 CA TRP A 30 3.067 0.469 9.502 1.00 0.00 C ATOM 433 C TRP A 30 3.696 0.931 8.192 1.00 0.00 C ATOM 434 O TRP A 30 4.917 0.899 8.033 1.00 0.00 O ATOM 435 CB TRP A 30 3.981 0.828 10.675 1.00 0.00 C ATOM 436 CG TRP A 30 4.400 2.266 10.684 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.643 2.760 10.406 1.00 0.00 C ATOM 438 CD2 TRP A 30 3.576 3.397 10.987 1.00 0.00 C ATOM 439 NE1 TRP A 30 5.641 4.129 10.519 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.385 4.545 10.873 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.233 3.553 11.342 1.00 0.00 C ATOM 442 CZ2 TRP A 30 3.894 5.827 11.102 1.00 0.00 C ATOM 443 CZ3 TRP A 30 1.748 4.826 11.569 1.00 0.00 C ATOM 444 CH2 TRP A 30 2.576 5.950 11.448 1.00 0.00 C ATOM 0 H TRP A 30 3.641 -1.545 9.627 1.00 0.00 H new ATOM 0 HA TRP A 30 2.112 0.980 9.626 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.467 0.601 11.609 1.00 0.00 H new ATOM 0 HB3 TRP A 30 4.870 0.198 10.639 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.501 2.162 10.137 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.445 4.737 10.364 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.586 2.693 11.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.531 6.694 11.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.712 4.958 11.845 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.166 6.932 11.631 1.00 0.00 H new ATOM 455 N PHE A 31 2.856 1.362 7.257 1.00 0.00 N ATOM 456 CA PHE A 31 3.331 1.830 5.960 1.00 0.00 C ATOM 457 C PHE A 31 3.882 3.249 6.063 1.00 0.00 C ATOM 458 O PHE A 31 3.292 4.110 6.717 1.00 0.00 O ATOM 459 CB PHE A 31 2.199 1.783 4.932 1.00 0.00 C ATOM 460 CG PHE A 31 1.950 0.410 4.377 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.428 -0.592 5.179 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.237 0.121 3.052 1.00 0.00 C ATOM 463 CE1 PHE A 31 1.199 -1.857 4.671 1.00 0.00 C ATOM 464 CE2 PHE A 31 2.010 -1.142 2.538 1.00 0.00 C ATOM 465 CZ PHE A 31 1.489 -2.132 3.349 1.00 0.00 C ATOM 0 H PHE A 31 1.843 1.397 7.373 1.00 0.00 H new ATOM 0 HA PHE A 31 4.135 1.170 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.283 2.151 5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.436 2.460 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.197 -0.382 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.643 0.892 2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.794 -2.630 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.239 -1.355 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.309 -3.119 2.950 1.00 0.00 H new ATOM 475 N VAL A 32 5.016 3.486 5.412 1.00 0.00 N ATOM 476 CA VAL A 32 5.647 4.800 5.429 1.00 0.00 C ATOM 477 C VAL A 32 6.078 5.221 4.028 1.00 0.00 C ATOM 478 O VAL A 32 7.144 4.829 3.551 1.00 0.00 O ATOM 479 CB VAL A 32 6.874 4.822 6.360 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.646 6.123 6.196 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.448 4.624 7.806 1.00 0.00 C ATOM 0 H VAL A 32 5.517 2.785 4.866 1.00 0.00 H new ATOM 0 HA VAL A 32 4.903 5.503 5.804 1.00 0.00 H new ATOM 0 HB VAL A 32 7.533 3.999 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.509 6.120 6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.984 6.218 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.999 6.964 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.327 4.642 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.768 5.424 8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.943 3.663 7.908 1.00 0.00 H new ATOM 491 N LEU A 33 5.244 6.021 3.374 1.00 0.00 N ATOM 492 CA LEU A 33 5.539 6.497 2.026 1.00 0.00 C ATOM 493 C LEU A 33 6.504 7.677 2.064 1.00 0.00 C ATOM 494 O LEU A 33 6.133 8.785 2.452 1.00 0.00 O ATOM 495 CB LEU A 33 4.248 6.902 1.313 1.00 0.00 C ATOM 496 CG LEU A 33 4.418 7.638 -0.016 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.621 6.649 -1.153 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.214 8.528 -0.290 1.00 0.00 C ATOM 0 H LEU A 33 4.358 6.354 3.754 1.00 0.00 H new ATOM 0 HA LEU A 33 6.011 5.683 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.658 6.003 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.669 7.536 1.985 1.00 0.00 H new ATOM 0 HG LEU A 33 5.304 8.269 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.740 7.192 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.514 6.054 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.755 5.991 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.352 9.044 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.313 7.917 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.114 9.261 0.510 1.00 0.00 H new ATOM 510 N THR A 34 7.746 7.433 1.657 1.00 0.00 N ATOM 511 CA THR A 34 8.765 8.475 1.643 1.00 0.00 C ATOM 512 C THR A 34 9.203 8.798 0.219 1.00 0.00 C ATOM 513 O THR A 34 8.892 8.062 -0.717 1.00 0.00 O ATOM 514 CB THR A 34 9.999 8.065 2.468 1.00 0.00 C ATOM 515 OG1 THR A 34 10.656 6.954 1.847 1.00 0.00 O ATOM 516 CG2 THR A 34 9.603 7.697 3.890 1.00 0.00 C ATOM 0 H THR A 34 8.070 6.522 1.333 1.00 0.00 H new ATOM 0 HA THR A 34 8.316 9.362 2.091 1.00 0.00 H new ATOM 0 HB THR A 34 10.681 8.915 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.998 6.258 1.641 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.492 7.411 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.130 8.554 4.369 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.903 6.862 3.868 1.00 0.00 H new ATOM 524 N ALA A 35 9.927 9.901 0.063 1.00 0.00 N ATOM 525 CA ALA A 35 10.410 10.319 -1.247 1.00 0.00 C ATOM 526 C ALA A 35 11.238 9.219 -1.903 1.00 0.00 C ATOM 527 O ALA A 35 11.271 9.101 -3.127 1.00 0.00 O ATOM 528 CB ALA A 35 11.226 11.597 -1.126 1.00 0.00 C ATOM 0 H ALA A 35 10.192 10.522 0.828 1.00 0.00 H new ATOM 0 HA ALA A 35 9.545 10.513 -1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.580 11.897 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.603 12.388 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.080 11.423 -0.471 1.00 0.00 H new ATOM 534 N GLU A 36 11.907 8.418 -1.079 1.00 0.00 N ATOM 535 CA GLU A 36 12.737 7.329 -1.581 1.00 0.00 C ATOM 536 C GLU A 36 11.876 6.160 -2.049 1.00 0.00 C ATOM 537 O GLU A 36 11.819 5.854 -3.240 1.00 0.00 O ATOM 538 CB GLU A 36 13.710 6.859 -0.498 1.00 0.00 C ATOM 539 CG GLU A 36 14.920 7.764 -0.332 1.00 0.00 C ATOM 540 CD GLU A 36 15.684 7.488 0.948 1.00 0.00 C ATOM 541 OE1 GLU A 36 15.107 7.690 2.038 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.857 7.070 0.862 1.00 0.00 O ATOM 0 H GLU A 36 11.890 8.503 -0.063 1.00 0.00 H new ATOM 0 HA GLU A 36 13.306 7.702 -2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.180 6.797 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.050 5.852 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.587 7.633 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.595 8.804 -0.339 1.00 0.00 H new ATOM 549 N SER A 37 11.208 5.508 -1.102 1.00 0.00 N ATOM 550 CA SER A 37 10.353 4.369 -1.415 1.00 0.00 C ATOM 551 C SER A 37 9.329 4.138 -0.308 1.00 0.00 C ATOM 552 O SER A 37 9.454 4.678 0.792 1.00 0.00 O ATOM 553 CB SER A 37 11.198 3.110 -1.615 1.00 0.00 C ATOM 554 OG SER A 37 11.839 2.729 -0.410 1.00 0.00 O ATOM 0 H SER A 37 11.243 5.749 -0.112 1.00 0.00 H new ATOM 0 HA SER A 37 9.819 4.590 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.565 2.296 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.946 3.289 -2.387 1.00 0.00 H new ATOM 0 HG SER A 37 12.657 2.231 -0.618 1.00 0.00 H new ATOM 560 N LEU A 38 8.317 3.331 -0.606 1.00 0.00 N ATOM 561 CA LEU A 38 7.270 3.026 0.363 1.00 0.00 C ATOM 562 C LEU A 38 7.536 1.691 1.050 1.00 0.00 C ATOM 563 O LEU A 38 7.399 0.630 0.441 1.00 0.00 O ATOM 564 CB LEU A 38 5.904 2.996 -0.325 1.00 0.00 C ATOM 565 CG LEU A 38 4.775 2.320 0.454 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.087 3.318 1.371 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.771 1.691 -0.501 1.00 0.00 C ATOM 0 H LEU A 38 8.199 2.876 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 38 7.271 3.810 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.606 4.022 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.013 2.487 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 38 5.206 1.530 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.287 2.819 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.812 3.722 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.669 4.130 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.975 1.214 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.346 2.463 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.273 0.944 -1.116 1.00 0.00 H new ATOM 579 N SER A 39 7.915 1.751 2.322 1.00 0.00 N ATOM 580 CA SER A 39 8.202 0.546 3.092 1.00 0.00 C ATOM 581 C SER A 39 7.252 0.422 4.280 1.00 0.00 C ATOM 582 O SER A 39 6.718 1.418 4.768 1.00 0.00 O ATOM 583 CB SER A 39 9.651 0.561 3.582 1.00 0.00 C ATOM 584 OG SER A 39 10.555 0.685 2.498 1.00 0.00 O ATOM 0 H SER A 39 8.031 2.621 2.842 1.00 0.00 H new ATOM 0 HA SER A 39 8.056 -0.316 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.795 1.389 4.276 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.862 -0.356 4.132 1.00 0.00 H new ATOM 0 HG SER A 39 11.474 0.694 2.838 1.00 0.00 H new ATOM 590 N TRP A 40 7.048 -0.807 4.740 1.00 0.00 N ATOM 591 CA TRP A 40 6.163 -1.062 5.871 1.00 0.00 C ATOM 592 C TRP A 40 6.903 -1.792 6.987 1.00 0.00 C ATOM 593 O TRP A 40 7.706 -2.689 6.729 1.00 0.00 O ATOM 594 CB TRP A 40 4.953 -1.883 5.423 1.00 0.00 C ATOM 595 CG TRP A 40 5.302 -2.984 4.468 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.604 -4.278 4.784 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.388 -2.888 3.042 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.872 -4.992 3.641 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.746 -4.161 2.559 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.195 -1.850 2.127 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.915 -4.422 1.202 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.364 -2.109 0.780 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.721 -3.387 0.328 1.00 0.00 C ATOM 0 H TRP A 40 7.483 -1.642 4.348 1.00 0.00 H new ATOM 0 HA TRP A 40 5.819 -0.102 6.256 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.470 -2.313 6.300 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.227 -1.220 4.952 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.629 -4.681 5.786 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.124 -5.980 3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.919 -0.863 2.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.189 -5.406 0.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.219 -1.314 0.064 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.845 -3.558 -0.731 1.00 0.00 H new ATOM 614 N TYR A 41 6.626 -1.403 8.226 1.00 0.00 N ATOM 615 CA TYR A 41 7.268 -2.020 9.382 1.00 0.00 C ATOM 616 C TYR A 41 6.228 -2.555 10.361 1.00 0.00 C ATOM 617 O TYR A 41 5.101 -2.063 10.419 1.00 0.00 O ATOM 618 CB TYR A 41 8.177 -1.011 10.086 1.00 0.00 C ATOM 619 CG TYR A 41 9.039 -0.208 9.138 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.514 0.867 8.431 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.378 -0.526 8.948 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.298 1.603 7.563 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.170 0.205 8.083 1.00 0.00 C ATOM 624 CZ TYR A 41 10.625 1.268 7.393 1.00 0.00 C ATOM 625 OH TYR A 41 11.410 1.998 6.530 1.00 0.00 O ATOM 0 H TYR A 41 5.962 -0.664 8.457 1.00 0.00 H new ATOM 0 HA TYR A 41 7.871 -2.856 9.028 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.562 -0.328 10.672 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.820 -1.542 10.788 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.475 1.132 8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.807 -1.359 9.485 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.874 2.435 7.021 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.210 -0.054 7.948 1.00 0.00 H new ATOM 0 HH TYR A 41 12.319 1.633 6.526 1.00 0.00 H new ATOM 635 N LYS A 42 6.615 -3.566 11.131 1.00 0.00 N ATOM 636 CA LYS A 42 5.719 -4.169 12.111 1.00 0.00 C ATOM 637 C LYS A 42 5.108 -3.104 13.016 1.00 0.00 C ATOM 638 O LYS A 42 3.897 -3.086 13.239 1.00 0.00 O ATOM 639 CB LYS A 42 6.473 -5.199 12.955 1.00 0.00 C ATOM 640 CG LYS A 42 6.653 -6.539 12.262 1.00 0.00 C ATOM 641 CD LYS A 42 5.394 -7.386 12.351 1.00 0.00 C ATOM 642 CE LYS A 42 5.210 -7.965 13.746 1.00 0.00 C ATOM 643 NZ LYS A 42 5.938 -9.253 13.913 1.00 0.00 N ATOM 0 H LYS A 42 7.544 -3.986 11.095 1.00 0.00 H new ATOM 0 HA LYS A 42 4.914 -4.669 11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.453 -4.798 13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.936 -5.353 13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.910 -6.377 11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.486 -7.075 12.716 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.527 -6.779 12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.447 -8.196 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.566 -7.248 14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.148 -8.121 13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.787 -9.615 14.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.581 -9.945 13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.955 -9.100 13.756 1.00 0.00 H new ATOM 657 N ASP A 43 5.951 -2.218 13.534 1.00 0.00 N ATOM 658 CA ASP A 43 5.493 -1.149 14.413 1.00 0.00 C ATOM 659 C ASP A 43 5.665 0.213 13.747 1.00 0.00 C ATOM 660 O ASP A 43 6.157 0.307 12.623 1.00 0.00 O ATOM 661 CB ASP A 43 6.259 -1.183 15.736 1.00 0.00 C ATOM 662 CG ASP A 43 7.732 -1.485 15.545 1.00 0.00 C ATOM 663 OD1 ASP A 43 8.497 -0.543 15.246 1.00 0.00 O ATOM 664 OD2 ASP A 43 8.121 -2.662 15.694 1.00 0.00 O ATOM 0 H ASP A 43 6.956 -2.219 13.360 1.00 0.00 H new ATOM 0 HA ASP A 43 4.433 -1.306 14.612 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.150 -0.223 16.240 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.818 -1.937 16.388 1.00 0.00 H new ATOM 669 N GLU A 44 5.254 1.265 14.448 1.00 0.00 N ATOM 670 CA GLU A 44 5.361 2.621 13.923 1.00 0.00 C ATOM 671 C GLU A 44 6.628 3.303 14.431 1.00 0.00 C ATOM 672 O GLU A 44 6.699 4.529 14.501 1.00 0.00 O ATOM 673 CB GLU A 44 4.133 3.444 14.319 1.00 0.00 C ATOM 674 CG GLU A 44 4.171 3.943 15.753 1.00 0.00 C ATOM 675 CD GLU A 44 4.678 2.893 16.723 1.00 0.00 C ATOM 676 OE1 GLU A 44 4.062 1.809 16.798 1.00 0.00 O ATOM 677 OE2 GLU A 44 5.690 3.155 17.406 1.00 0.00 O ATOM 0 H GLU A 44 4.844 1.204 15.380 1.00 0.00 H new ATOM 0 HA GLU A 44 5.413 2.559 12.836 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.047 4.299 13.648 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.239 2.837 14.178 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.810 4.824 15.810 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.170 4.255 16.052 1.00 0.00 H new ATOM 684 N GLU A 45 7.625 2.498 14.783 1.00 0.00 N ATOM 685 CA GLU A 45 8.889 3.023 15.286 1.00 0.00 C ATOM 686 C GLU A 45 10.004 2.832 14.261 1.00 0.00 C ATOM 687 O GLU A 45 11.165 3.142 14.527 1.00 0.00 O ATOM 688 CB GLU A 45 9.266 2.336 16.600 1.00 0.00 C ATOM 689 CG GLU A 45 8.324 2.659 17.748 1.00 0.00 C ATOM 690 CD GLU A 45 9.013 2.618 19.098 1.00 0.00 C ATOM 691 OE1 GLU A 45 10.227 2.908 19.153 1.00 0.00 O ATOM 692 OE2 GLU A 45 8.340 2.295 20.099 1.00 0.00 O ATOM 0 H GLU A 45 7.582 1.480 14.729 1.00 0.00 H new ATOM 0 HA GLU A 45 8.763 4.091 15.466 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.280 1.257 16.445 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.278 2.631 16.877 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.895 3.649 17.593 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.497 1.949 17.745 1.00 0.00 H new ATOM 699 N GLU A 46 9.641 2.317 13.090 1.00 0.00 N ATOM 700 CA GLU A 46 10.611 2.083 12.027 1.00 0.00 C ATOM 701 C GLU A 46 11.799 1.275 12.542 1.00 0.00 C ATOM 702 O GLU A 46 12.954 1.648 12.337 1.00 0.00 O ATOM 703 CB GLU A 46 11.098 3.413 11.448 1.00 0.00 C ATOM 704 CG GLU A 46 9.986 4.262 10.853 1.00 0.00 C ATOM 705 CD GLU A 46 10.472 5.624 10.398 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.024 6.367 11.237 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.301 5.947 9.204 1.00 0.00 O ATOM 0 H GLU A 46 8.684 2.054 12.854 1.00 0.00 H new ATOM 0 HA GLU A 46 10.118 1.511 11.241 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.596 3.981 12.234 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.843 3.213 10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.546 3.736 10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.196 4.391 11.593 1.00 0.00 H new ATOM 714 N LYS A 47 11.506 0.165 13.211 1.00 0.00 N ATOM 715 CA LYS A 47 12.547 -0.698 13.756 1.00 0.00 C ATOM 716 C LYS A 47 12.713 -1.953 12.905 1.00 0.00 C ATOM 717 O LYS A 47 13.785 -2.203 12.354 1.00 0.00 O ATOM 718 CB LYS A 47 12.214 -1.087 15.198 1.00 0.00 C ATOM 719 CG LYS A 47 12.188 0.093 16.155 1.00 0.00 C ATOM 720 CD LYS A 47 12.354 -0.356 17.597 1.00 0.00 C ATOM 721 CE LYS A 47 11.016 -0.715 18.226 1.00 0.00 C ATOM 722 NZ LYS A 47 10.597 -2.103 17.884 1.00 0.00 N ATOM 0 H LYS A 47 10.555 -0.158 13.389 1.00 0.00 H new ATOM 0 HA LYS A 47 13.486 -0.145 13.744 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.243 -1.581 15.217 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.948 -1.813 15.549 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.985 0.791 15.896 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.246 0.630 16.046 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.019 -1.219 17.636 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.827 0.438 18.174 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.085 -0.613 19.309 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.255 -0.012 17.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.828 -2.071 17.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.406 -2.622 17.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.265 -2.587 18.743 1.00 0.00 H new ATOM 736 N GLU A 48 11.645 -2.739 12.802 1.00 0.00 N ATOM 737 CA GLU A 48 11.674 -3.967 12.018 1.00 0.00 C ATOM 738 C GLU A 48 11.077 -3.742 10.632 1.00 0.00 C ATOM 739 O GLU A 48 9.876 -3.510 10.491 1.00 0.00 O ATOM 740 CB GLU A 48 10.910 -5.078 12.741 1.00 0.00 C ATOM 741 CG GLU A 48 10.807 -6.366 11.941 1.00 0.00 C ATOM 742 CD GLU A 48 10.701 -7.594 12.824 1.00 0.00 C ATOM 743 OE1 GLU A 48 10.185 -7.471 13.954 1.00 0.00 O ATOM 744 OE2 GLU A 48 11.135 -8.680 12.384 1.00 0.00 O ATOM 0 H GLU A 48 10.750 -2.546 13.252 1.00 0.00 H new ATOM 0 HA GLU A 48 12.715 -4.269 11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.403 -5.288 13.690 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.906 -4.724 12.975 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.935 -6.316 11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.681 -6.460 11.297 1.00 0.00 H new ATOM 751 N LYS A 49 11.924 -3.812 9.611 1.00 0.00 N ATOM 752 CA LYS A 49 11.482 -3.617 8.235 1.00 0.00 C ATOM 753 C LYS A 49 11.243 -4.956 7.545 1.00 0.00 C ATOM 754 O LYS A 49 12.028 -5.893 7.696 1.00 0.00 O ATOM 755 CB LYS A 49 12.520 -2.807 7.454 1.00 0.00 C ATOM 756 CG LYS A 49 11.987 -2.228 6.155 1.00 0.00 C ATOM 757 CD LYS A 49 12.989 -1.282 5.514 1.00 0.00 C ATOM 758 CE LYS A 49 14.328 -1.965 5.279 1.00 0.00 C ATOM 759 NZ LYS A 49 15.186 -1.937 6.495 1.00 0.00 N ATOM 0 H LYS A 49 12.921 -4.002 9.710 1.00 0.00 H new ATOM 0 HA LYS A 49 10.541 -3.067 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.882 -1.994 8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.376 -3.445 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.755 -3.037 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.055 -1.696 6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.593 -0.919 4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.131 -0.412 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.160 -2.999 4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.847 -1.473 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.127 -1.570 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.752 -1.321 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.279 -2.900 6.876 1.00 0.00 H new ATOM 773 N LYS A 50 10.156 -5.040 6.786 1.00 0.00 N ATOM 774 CA LYS A 50 9.814 -6.263 6.070 1.00 0.00 C ATOM 775 C LYS A 50 10.256 -6.182 4.613 1.00 0.00 C ATOM 776 O LYS A 50 11.137 -6.925 4.179 1.00 0.00 O ATOM 777 CB LYS A 50 8.307 -6.518 6.144 1.00 0.00 C ATOM 778 CG LYS A 50 7.691 -6.142 7.481 1.00 0.00 C ATOM 779 CD LYS A 50 8.393 -6.840 8.634 1.00 0.00 C ATOM 780 CE LYS A 50 7.770 -8.197 8.926 1.00 0.00 C ATOM 781 NZ LYS A 50 8.274 -9.249 8.001 1.00 0.00 N ATOM 0 H LYS A 50 9.496 -4.274 6.651 1.00 0.00 H new ATOM 0 HA LYS A 50 10.340 -7.091 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.812 -5.953 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.116 -7.573 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.749 -5.062 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.634 -6.407 7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.449 -6.967 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.341 -6.215 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.988 -8.483 9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.686 -8.125 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.266 -10.170 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.663 -9.294 7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.246 -9.019 7.710 1.00 0.00 H new ATOM 795 N TYR A 51 9.640 -5.276 3.862 1.00 0.00 N ATOM 796 CA TYR A 51 9.969 -5.098 2.453 1.00 0.00 C ATOM 797 C TYR A 51 9.975 -3.620 2.077 1.00 0.00 C ATOM 798 O TYR A 51 9.513 -2.772 2.839 1.00 0.00 O ATOM 799 CB TYR A 51 8.971 -5.855 1.575 1.00 0.00 C ATOM 800 CG TYR A 51 9.283 -5.777 0.098 1.00 0.00 C ATOM 801 CD1 TYR A 51 8.818 -4.720 -0.675 1.00 0.00 C ATOM 802 CD2 TYR A 51 10.042 -6.760 -0.525 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.100 -4.645 -2.025 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.330 -6.692 -1.875 1.00 0.00 C ATOM 805 CZ TYR A 51 9.857 -5.632 -2.620 1.00 0.00 C ATOM 806 OH TYR A 51 10.140 -5.562 -3.965 1.00 0.00 O ATOM 0 H TYR A 51 8.909 -4.653 4.206 1.00 0.00 H new ATOM 0 HA TYR A 51 10.968 -5.500 2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.953 -6.902 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.972 -5.456 1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.226 -3.944 -0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.413 -7.591 0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.729 -3.817 -2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.922 -7.464 -2.344 1.00 0.00 H new ATOM 0 HH TYR A 51 10.684 -6.334 -4.225 1.00 0.00 H new ATOM 816 N MET A 52 10.502 -3.319 0.894 1.00 0.00 N ATOM 817 CA MET A 52 10.568 -1.944 0.415 1.00 0.00 C ATOM 818 C MET A 52 10.104 -1.851 -1.036 1.00 0.00 C ATOM 819 O MET A 52 10.735 -2.406 -1.936 1.00 0.00 O ATOM 820 CB MET A 52 11.993 -1.403 0.542 1.00 0.00 C ATOM 821 CG MET A 52 12.178 -0.025 -0.072 1.00 0.00 C ATOM 822 SD MET A 52 13.912 0.454 -0.194 1.00 0.00 S ATOM 823 CE MET A 52 14.252 0.063 -1.908 1.00 0.00 C ATOM 0 H MET A 52 10.889 -4.009 0.250 1.00 0.00 H new ATOM 0 HA MET A 52 9.902 -1.340 1.031 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.264 -1.361 1.597 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.681 -2.100 0.064 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.731 -0.011 -1.066 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.643 0.711 0.529 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.290 0.305 -2.137 1.00 0.00 H new ATOM 0 HE2 MET A 52 14.081 -1.000 -2.080 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.593 0.646 -2.552 1.00 0.00 H new ATOM 833 N LEU A 53 8.999 -1.147 -1.255 1.00 0.00 N ATOM 834 CA LEU A 53 8.451 -0.982 -2.596 1.00 0.00 C ATOM 835 C LEU A 53 8.748 0.412 -3.139 1.00 0.00 C ATOM 836 O LEU A 53 8.528 1.424 -2.472 1.00 0.00 O ATOM 837 CB LEU A 53 6.940 -1.226 -2.585 1.00 0.00 C ATOM 838 CG LEU A 53 6.307 -1.576 -3.932 1.00 0.00 C ATOM 839 CD1 LEU A 53 6.472 -3.058 -4.230 1.00 0.00 C ATOM 840 CD2 LEU A 53 4.836 -1.188 -3.947 1.00 0.00 C ATOM 0 H LEU A 53 8.465 -0.681 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 53 8.927 -1.715 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.728 -2.035 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.451 -0.332 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 53 6.819 -1.010 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.015 -3.289 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.533 -3.307 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.986 -3.643 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.402 -1.444 -4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.310 -1.726 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.741 -0.115 -3.780 1.00 0.00 H new ATOM 852 N PRO A 54 9.258 0.469 -4.378 1.00 0.00 N ATOM 853 CA PRO A 54 9.594 1.734 -5.038 1.00 0.00 C ATOM 854 C PRO A 54 8.355 2.543 -5.406 1.00 0.00 C ATOM 855 O PRO A 54 7.227 2.069 -5.264 1.00 0.00 O ATOM 856 CB PRO A 54 10.335 1.289 -6.301 1.00 0.00 C ATOM 857 CG PRO A 54 9.828 -0.084 -6.574 1.00 0.00 C ATOM 858 CD PRO A 54 9.546 -0.697 -5.230 1.00 0.00 C ATOM 0 HA PRO A 54 10.179 2.388 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.132 1.959 -7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.414 1.289 -6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.926 -0.052 -7.185 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.565 -0.670 -7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.701 -1.384 -5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.400 -1.264 -4.860 1.00 0.00 H new ATOM 866 N LEU A 55 8.570 3.766 -5.877 1.00 0.00 N ATOM 867 CA LEU A 55 7.470 4.642 -6.266 1.00 0.00 C ATOM 868 C LEU A 55 7.550 4.991 -7.749 1.00 0.00 C ATOM 869 O LEU A 55 7.119 6.066 -8.167 1.00 0.00 O ATOM 870 CB LEU A 55 7.490 5.921 -5.427 1.00 0.00 C ATOM 871 CG LEU A 55 7.556 5.729 -3.912 1.00 0.00 C ATOM 872 CD1 LEU A 55 7.590 7.074 -3.204 1.00 0.00 C ATOM 873 CD2 LEU A 55 6.375 4.899 -3.427 1.00 0.00 C ATOM 0 H LEU A 55 9.497 4.174 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 55 6.535 4.112 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.347 6.520 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.596 6.499 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 55 8.474 5.193 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.637 6.917 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.468 7.633 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.690 7.637 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.439 4.773 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.445 5.408 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.395 3.921 -3.908 1.00 0.00 H new ATOM 885 N ASP A 56 8.102 4.076 -8.538 1.00 0.00 N ATOM 886 CA ASP A 56 8.235 4.286 -9.975 1.00 0.00 C ATOM 887 C ASP A 56 7.444 3.239 -10.752 1.00 0.00 C ATOM 888 O ASP A 56 7.585 2.039 -10.517 1.00 0.00 O ATOM 889 CB ASP A 56 9.708 4.238 -10.384 1.00 0.00 C ATOM 890 CG ASP A 56 10.488 3.190 -9.617 1.00 0.00 C ATOM 891 OD1 ASP A 56 11.023 3.519 -8.537 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.564 2.039 -10.096 1.00 0.00 O ATOM 0 H ASP A 56 8.465 3.182 -8.207 1.00 0.00 H new ATOM 0 HA ASP A 56 7.832 5.270 -10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.779 4.030 -11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.160 5.216 -10.219 1.00 0.00 H new ATOM 897 N ASN A 57 6.610 3.701 -11.679 1.00 0.00 N ATOM 898 CA ASN A 57 5.795 2.804 -12.490 1.00 0.00 C ATOM 899 C ASN A 57 4.728 2.122 -11.640 1.00 0.00 C ATOM 900 O ASN A 57 4.437 0.938 -11.821 1.00 0.00 O ATOM 901 CB ASN A 57 6.676 1.751 -13.165 1.00 0.00 C ATOM 902 CG ASN A 57 7.852 2.366 -13.900 1.00 0.00 C ATOM 903 OD1 ASN A 57 7.780 2.626 -15.101 1.00 0.00 O ATOM 904 ND2 ASN A 57 8.942 2.601 -13.179 1.00 0.00 N ATOM 0 H ASN A 57 6.481 4.691 -11.887 1.00 0.00 H new ATOM 0 HA ASN A 57 5.298 3.398 -13.257 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.045 1.054 -12.413 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.074 1.173 -13.867 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.765 3.013 -13.618 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.956 2.369 -12.186 1.00 0.00 H new ATOM 911 N LEU A 58 4.146 2.875 -10.713 1.00 0.00 N ATOM 912 CA LEU A 58 3.109 2.344 -9.835 1.00 0.00 C ATOM 913 C LEU A 58 1.841 3.186 -9.918 1.00 0.00 C ATOM 914 O LEU A 58 1.901 4.403 -10.095 1.00 0.00 O ATOM 915 CB LEU A 58 3.611 2.298 -8.391 1.00 0.00 C ATOM 916 CG LEU A 58 4.916 1.535 -8.157 1.00 0.00 C ATOM 917 CD1 LEU A 58 5.126 1.278 -6.673 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.915 0.226 -8.933 1.00 0.00 C ATOM 0 H LEU A 58 4.375 3.856 -10.550 1.00 0.00 H new ATOM 0 HA LEU A 58 2.872 1.332 -10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.745 3.322 -8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.835 1.848 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 58 5.742 2.147 -8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.059 0.734 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.173 2.229 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.297 0.686 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.851 -0.303 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.080 -0.392 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.813 0.434 -9.998 1.00 0.00 H new ATOM 930 N LYS A 59 0.692 2.531 -9.787 1.00 0.00 N ATOM 931 CA LYS A 59 -0.592 3.219 -9.843 1.00 0.00 C ATOM 932 C LYS A 59 -1.526 2.718 -8.746 1.00 0.00 C ATOM 933 O LYS A 59 -1.197 1.782 -8.018 1.00 0.00 O ATOM 934 CB LYS A 59 -1.243 3.017 -11.214 1.00 0.00 C ATOM 935 CG LYS A 59 -2.146 4.164 -11.634 1.00 0.00 C ATOM 936 CD LYS A 59 -2.223 4.288 -13.146 1.00 0.00 C ATOM 937 CE LYS A 59 -3.522 4.945 -13.586 1.00 0.00 C ATOM 938 NZ LYS A 59 -3.606 6.363 -13.139 1.00 0.00 N ATOM 0 H LYS A 59 0.624 1.524 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.413 4.283 -9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.461 2.888 -11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.824 2.095 -11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.146 4.008 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.773 5.096 -11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.377 4.873 -13.508 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.143 3.299 -13.598 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.601 4.901 -14.672 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.366 4.386 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.490 6.785 -13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.590 6.401 -12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.796 6.895 -13.517 1.00 0.00 H new ATOM 952 N ILE A 60 -2.692 3.346 -8.636 1.00 0.00 N ATOM 953 CA ILE A 60 -3.674 2.962 -7.630 1.00 0.00 C ATOM 954 C ILE A 60 -5.077 2.902 -8.225 1.00 0.00 C ATOM 955 O ILE A 60 -5.447 3.734 -9.054 1.00 0.00 O ATOM 956 CB ILE A 60 -3.675 3.941 -6.441 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.291 3.987 -5.789 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.732 3.538 -5.424 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.072 5.207 -4.923 1.00 0.00 C ATOM 0 H ILE A 60 -2.979 4.123 -9.231 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.390 1.972 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.916 4.938 -6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.154 3.092 -5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.530 3.964 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.720 4.239 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.715 3.551 -5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.520 2.534 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.071 5.173 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.177 6.107 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.810 5.221 -4.121 1.00 0.00 H new ATOM 971 N ARG A 61 -5.854 1.913 -7.796 1.00 0.00 N ATOM 972 CA ARG A 61 -7.216 1.744 -8.286 1.00 0.00 C ATOM 973 C ARG A 61 -8.102 1.103 -7.222 1.00 0.00 C ATOM 974 O ARG A 61 -7.716 0.120 -6.589 1.00 0.00 O ATOM 975 CB ARG A 61 -7.223 0.887 -9.554 1.00 0.00 C ATOM 976 CG ARG A 61 -6.536 -0.457 -9.383 1.00 0.00 C ATOM 977 CD ARG A 61 -6.772 -1.360 -10.584 1.00 0.00 C ATOM 978 NE ARG A 61 -8.020 -2.109 -10.469 1.00 0.00 N ATOM 979 CZ ARG A 61 -8.217 -3.077 -9.581 1.00 0.00 C ATOM 980 NH1 ARG A 61 -7.252 -3.411 -8.734 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.381 -3.713 -9.538 1.00 0.00 N ATOM 0 H ARG A 61 -5.563 1.217 -7.110 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.615 2.731 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.254 0.721 -9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.732 1.437 -10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.465 -0.305 -9.246 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.907 -0.944 -8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.793 -0.757 -11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.939 -2.056 -10.683 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.782 -1.876 -11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.356 -2.924 -8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.406 -4.155 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.125 -3.459 -10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.531 -4.456 -8.856 1.00 0.00 H new ATOM 995 N ASP A 62 -9.289 1.667 -7.029 1.00 0.00 N ATOM 996 CA ASP A 62 -10.230 1.151 -6.041 1.00 0.00 C ATOM 997 C ASP A 62 -10.756 -0.219 -6.457 1.00 0.00 C ATOM 998 O ASP A 62 -10.790 -0.550 -7.642 1.00 0.00 O ATOM 999 CB ASP A 62 -11.395 2.125 -5.857 1.00 0.00 C ATOM 1000 CG ASP A 62 -12.444 1.597 -4.898 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -13.370 0.898 -5.359 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -12.339 1.885 -3.687 1.00 0.00 O ATOM 0 H ASP A 62 -9.623 2.482 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.703 1.046 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.014 3.077 -5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.857 2.321 -6.824 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.714 -1.668 2.948 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.634 -0.884 3.536 1.00 0.00 C ATOM 1131 C LYS A 71 -13.874 -0.112 2.462 1.00 0.00 C ATOM 1132 O LYS A 71 -14.070 -0.335 1.267 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.672 -1.797 4.300 1.00 0.00 C ATOM 1134 CG LYS A 71 -14.048 -1.992 5.759 1.00 0.00 C ATOM 1135 CD LYS A 71 -12.894 -2.574 6.559 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.109 -2.399 8.054 1.00 0.00 C ATOM 1137 NZ LYS A 71 -14.288 -3.167 8.539 1.00 0.00 N ATOM 0 HA LYS A 71 -15.074 -0.168 4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.640 -2.769 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.667 -1.379 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.345 -1.036 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.911 -2.655 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.787 -3.634 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.964 -2.088 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.218 -2.726 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.247 -1.342 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.400 -3.021 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.143 -2.838 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.146 -4.179 8.347 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.005 0.795 2.896 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.214 1.599 1.971 1.00 0.00 C ATOM 1153 C HIS A 72 -10.819 1.007 1.793 1.00 0.00 C ATOM 1154 O HIS A 72 -9.928 1.236 2.611 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.110 3.039 2.474 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.382 3.560 3.068 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.441 4.007 2.306 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.763 3.702 4.359 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.417 4.403 3.103 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -15.031 4.228 4.354 1.00 0.00 N ATOM 0 H HIS A 72 -12.831 0.992 3.882 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.717 1.596 1.004 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.319 3.098 3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.815 3.684 1.646 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.178 3.449 5.231 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.369 4.802 2.786 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.585 4.448 5.182 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.637 0.245 0.719 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.351 -0.380 0.434 1.00 0.00 C ATOM 1171 C VAL A 73 -8.942 -0.157 -1.018 1.00 0.00 C ATOM 1172 O VAL A 73 -9.735 -0.366 -1.936 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.386 -1.893 0.720 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -10.627 -2.524 0.107 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.124 -2.562 0.198 1.00 0.00 C ATOM 0 H VAL A 73 -11.364 0.046 0.032 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.619 0.089 1.091 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.429 -2.041 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.634 -3.593 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.518 -2.063 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.619 -2.369 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.165 -3.631 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.048 -2.407 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.253 -2.129 0.689 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.699 0.267 -1.218 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.184 0.518 -2.559 1.00 0.00 C ATOM 1187 C PHE A 74 -6.088 -0.481 -2.917 1.00 0.00 C ATOM 1188 O PHE A 74 -5.329 -0.922 -2.054 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.641 1.945 -2.661 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.509 2.225 -1.714 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.761 2.567 -0.395 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.194 2.146 -2.143 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.721 2.826 0.478 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.150 2.403 -1.274 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.414 2.742 0.038 1.00 0.00 C ATOM 0 H PHE A 74 -7.030 0.444 -0.469 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.006 0.397 -3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.303 2.124 -3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.451 2.648 -2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.781 2.632 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.982 1.881 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.930 3.094 1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.129 2.339 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.600 2.941 0.719 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.012 -0.834 -4.196 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.009 -1.780 -4.669 1.00 0.00 C ATOM 1207 C ALA A 75 -3.932 -1.075 -5.487 1.00 0.00 C ATOM 1208 O ALA A 75 -4.227 -0.174 -6.273 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.666 -2.879 -5.492 1.00 0.00 C ATOM 0 H ALA A 75 -6.633 -0.479 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.531 -2.230 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.905 -3.578 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.393 -3.409 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.171 -2.438 -6.351 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.684 -1.490 -5.297 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.565 -0.898 -6.019 1.00 0.00 C ATOM 1217 C ILE A 76 -0.978 -1.881 -7.026 1.00 0.00 C ATOM 1218 O ILE A 76 -0.474 -2.941 -6.654 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.452 -0.443 -5.056 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -0.965 0.671 -4.141 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.766 0.025 -5.837 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.151 0.837 -2.877 1.00 0.00 C ATOM 0 H ILE A 76 -2.423 -2.234 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.956 -0.029 -6.548 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.158 -1.291 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.963 1.612 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.000 0.461 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.543 0.343 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.141 -0.794 -6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.488 0.861 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.572 1.644 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.174 -0.091 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.880 1.078 -3.137 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.046 -1.522 -8.304 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.521 -2.372 -9.366 1.00 0.00 C ATOM 1236 C PHE A 77 0.611 -1.673 -10.112 1.00 0.00 C ATOM 1237 O PHE A 77 0.711 -0.446 -10.102 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.636 -2.749 -10.344 1.00 0.00 C ATOM 1239 CG PHE A 77 -2.140 -1.589 -11.155 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -1.433 -1.139 -12.258 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -3.320 -0.949 -10.813 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.895 -0.072 -13.005 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.787 0.118 -11.556 1.00 0.00 C ATOM 1244 CZ PHE A 77 -3.074 0.557 -12.654 1.00 0.00 C ATOM 0 H PHE A 77 -1.460 -0.648 -8.629 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.125 -3.279 -8.910 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.270 -3.522 -11.019 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.467 -3.180 -9.786 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.511 -1.627 -12.537 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.882 -1.288 -9.955 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.335 0.270 -13.863 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.708 0.608 -11.278 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.437 1.390 -13.237 1.00 0.00 H new ATOM 1254 N ASN A 78 1.462 -2.463 -10.759 1.00 0.00 N ATOM 1255 CA ASN A 78 2.589 -1.920 -11.510 1.00 0.00 C ATOM 1256 C ASN A 78 2.203 -1.672 -12.965 1.00 0.00 C ATOM 1257 O ASN A 78 1.916 -2.608 -13.712 1.00 0.00 O ATOM 1258 CB ASN A 78 3.781 -2.877 -11.443 1.00 0.00 C ATOM 1259 CG ASN A 78 5.098 -2.180 -11.727 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.812 -1.779 -10.807 1.00 0.00 O ATOM 1261 ND2 ASN A 78 5.425 -2.033 -13.005 1.00 0.00 N ATOM 0 H ASN A 78 1.393 -3.480 -10.779 1.00 0.00 H new ATOM 0 HA ASN A 78 2.870 -0.968 -11.059 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.821 -3.335 -10.455 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.637 -3.683 -12.162 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.299 -1.572 -13.258 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.802 -2.381 -13.734 1.00 0.00 H new ATOM 1268 N THR A 79 2.200 -0.403 -13.362 1.00 0.00 N ATOM 1269 CA THR A 79 1.850 -0.030 -14.727 1.00 0.00 C ATOM 1270 C THR A 79 2.485 -0.979 -15.736 1.00 0.00 C ATOM 1271 O THR A 79 1.800 -1.539 -16.592 1.00 0.00 O ATOM 1272 CB THR A 79 2.290 1.411 -15.046 1.00 0.00 C ATOM 1273 OG1 THR A 79 3.650 1.608 -14.643 1.00 0.00 O ATOM 1274 CG2 THR A 79 1.396 2.419 -14.341 1.00 0.00 C ATOM 0 H THR A 79 2.436 0.384 -12.757 1.00 0.00 H new ATOM 0 HA THR A 79 0.765 -0.096 -14.804 1.00 0.00 H new ATOM 0 HB THR A 79 2.204 1.564 -16.122 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.923 2.526 -14.850 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.727 3.429 -14.582 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.366 2.286 -14.672 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.454 2.265 -13.263 1.00 0.00 H new ATOM 1282 N GLU A 80 3.798 -1.156 -15.630 1.00 0.00 N ATOM 1283 CA GLU A 80 4.525 -2.039 -16.535 1.00 0.00 C ATOM 1284 C GLU A 80 3.919 -3.439 -16.533 1.00 0.00 C ATOM 1285 O GLU A 80 2.930 -3.697 -15.847 1.00 0.00 O ATOM 1286 CB GLU A 80 6.001 -2.109 -16.138 1.00 0.00 C ATOM 1287 CG GLU A 80 6.702 -0.762 -16.159 1.00 0.00 C ATOM 1288 CD GLU A 80 7.152 -0.359 -17.550 1.00 0.00 C ATOM 1289 OE1 GLU A 80 6.278 -0.153 -18.418 1.00 0.00 O ATOM 1290 OE2 GLU A 80 8.376 -0.251 -17.771 1.00 0.00 O ATOM 0 H GLU A 80 4.380 -0.700 -14.927 1.00 0.00 H new ATOM 0 HA GLU A 80 4.446 -1.630 -17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.079 -2.534 -15.137 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.519 -2.789 -16.815 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.029 -0.001 -15.764 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.567 -0.797 -15.497 1.00 0.00 H new ATOM 1352 N VAL A 84 4.008 -6.057 -8.830 1.00 0.00 N ATOM 1353 CA VAL A 84 4.371 -5.088 -7.802 1.00 0.00 C ATOM 1354 C VAL A 84 5.080 -5.765 -6.635 1.00 0.00 C ATOM 1355 O VAL A 84 6.107 -5.285 -6.156 1.00 0.00 O ATOM 1356 CB VAL A 84 3.132 -4.342 -7.272 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.263 -5.272 -6.439 1.00 0.00 C ATOM 1358 CG2 VAL A 84 3.550 -3.123 -6.464 1.00 0.00 C ATOM 0 HA VAL A 84 5.047 -4.371 -8.267 1.00 0.00 H new ATOM 0 HB VAL A 84 2.543 -4.001 -8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.393 -4.727 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.934 -6.110 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.838 -5.646 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.662 -2.608 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.161 -3.439 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.126 -2.448 -7.096 1.00 0.00 H new ATOM 1368 N TYR A 85 4.526 -6.884 -6.182 1.00 0.00 N ATOM 1369 CA TYR A 85 5.104 -7.627 -5.069 1.00 0.00 C ATOM 1370 C TYR A 85 5.874 -8.846 -5.569 1.00 0.00 C ATOM 1371 O TYR A 85 5.858 -9.161 -6.759 1.00 0.00 O ATOM 1372 CB TYR A 85 4.008 -8.066 -4.096 1.00 0.00 C ATOM 1373 CG TYR A 85 4.532 -8.482 -2.740 1.00 0.00 C ATOM 1374 CD1 TYR A 85 5.142 -7.561 -1.897 1.00 0.00 C ATOM 1375 CD2 TYR A 85 4.419 -9.796 -2.303 1.00 0.00 C ATOM 1376 CE1 TYR A 85 5.623 -7.937 -0.658 1.00 0.00 C ATOM 1377 CE2 TYR A 85 4.895 -10.180 -1.065 1.00 0.00 C ATOM 1378 CZ TYR A 85 5.497 -9.247 -0.246 1.00 0.00 C ATOM 1379 OH TYR A 85 5.975 -9.626 0.988 1.00 0.00 O ATOM 0 H TYR A 85 3.677 -7.296 -6.569 1.00 0.00 H new ATOM 0 HA TYR A 85 5.799 -6.968 -4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.300 -7.248 -3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.457 -8.898 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.242 -6.534 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.951 -10.530 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.095 -7.209 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.797 -11.205 -0.740 1.00 0.00 H new ATOM 0 HH TYR A 85 5.806 -10.582 1.125 1.00 0.00 H new ATOM 1389 N LYS A 86 6.547 -9.530 -4.650 1.00 0.00 N ATOM 1390 CA LYS A 86 7.322 -10.716 -4.994 1.00 0.00 C ATOM 1391 C LYS A 86 6.636 -11.513 -6.098 1.00 0.00 C ATOM 1392 O LYS A 86 7.223 -11.768 -7.150 1.00 0.00 O ATOM 1393 CB LYS A 86 7.518 -11.599 -3.759 1.00 0.00 C ATOM 1394 CG LYS A 86 8.639 -11.131 -2.848 1.00 0.00 C ATOM 1395 CD LYS A 86 9.064 -12.223 -1.880 1.00 0.00 C ATOM 1396 CE LYS A 86 8.185 -12.239 -0.639 1.00 0.00 C ATOM 1397 NZ LYS A 86 8.158 -13.582 0.004 1.00 0.00 N ATOM 0 H LYS A 86 6.571 -9.283 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 86 8.296 -10.389 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.588 -11.627 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.725 -12.619 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.494 -10.824 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.312 -10.254 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.012 -13.192 -2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.103 -12.069 -1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.552 -11.502 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.171 -11.945 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.548 -13.552 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.784 -14.282 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.122 -13.852 0.284 1.00 0.00 H new ATOM 1411 N ASP A 87 5.390 -11.903 -5.853 1.00 0.00 N ATOM 1412 CA ASP A 87 4.622 -12.669 -6.827 1.00 0.00 C ATOM 1413 C ASP A 87 3.313 -11.963 -7.165 1.00 0.00 C ATOM 1414 O ASP A 87 2.893 -11.931 -8.322 1.00 0.00 O ATOM 1415 CB ASP A 87 4.335 -14.073 -6.293 1.00 0.00 C ATOM 1416 CG ASP A 87 3.776 -14.996 -7.359 1.00 0.00 C ATOM 1417 OD1 ASP A 87 2.587 -14.845 -7.709 1.00 0.00 O ATOM 1418 OD2 ASP A 87 4.528 -15.867 -7.842 1.00 0.00 O ATOM 0 H ASP A 87 4.890 -11.701 -4.987 1.00 0.00 H new ATOM 0 HA ASP A 87 5.216 -12.749 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.254 -14.501 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.627 -14.006 -5.467 1.00 0.00 H new ATOM 1423 N LEU A 88 2.672 -11.399 -6.147 1.00 0.00 N ATOM 1424 CA LEU A 88 1.409 -10.693 -6.335 1.00 0.00 C ATOM 1425 C LEU A 88 1.574 -9.532 -7.311 1.00 0.00 C ATOM 1426 O LEU A 88 2.553 -8.789 -7.247 1.00 0.00 O ATOM 1427 CB LEU A 88 0.886 -10.176 -4.994 1.00 0.00 C ATOM 1428 CG LEU A 88 0.865 -11.187 -3.847 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.953 -10.476 -2.506 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.391 -12.045 -3.916 1.00 0.00 C ATOM 0 H LEU A 88 3.006 -11.417 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 88 0.688 -11.395 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.498 -9.326 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.127 -9.803 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 88 1.733 -11.839 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.937 -11.212 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.880 -9.906 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.105 -9.800 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.390 -12.759 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.272 -11.407 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.412 -12.584 -4.863 1.00 0.00 H new ATOM 1442 N ARG A 89 0.609 -9.382 -8.213 1.00 0.00 N ATOM 1443 CA ARG A 89 0.647 -8.312 -9.201 1.00 0.00 C ATOM 1444 C ARG A 89 0.178 -6.993 -8.593 1.00 0.00 C ATOM 1445 O ARG A 89 0.635 -5.920 -8.987 1.00 0.00 O ATOM 1446 CB ARG A 89 -0.227 -8.669 -10.405 1.00 0.00 C ATOM 1447 CG ARG A 89 0.372 -9.747 -11.294 1.00 0.00 C ATOM 1448 CD ARG A 89 0.196 -11.130 -10.687 1.00 0.00 C ATOM 1449 NE ARG A 89 -1.211 -11.467 -10.489 1.00 0.00 N ATOM 1450 CZ ARG A 89 -1.624 -12.549 -9.839 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -0.741 -13.395 -9.326 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -2.922 -12.787 -9.700 1.00 0.00 N ATOM 0 H ARG A 89 -0.208 -9.988 -8.279 1.00 0.00 H new ATOM 0 HA ARG A 89 1.679 -8.194 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.202 -9.003 -10.049 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.395 -7.771 -11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.102 -9.716 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.433 -9.547 -11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.658 -11.873 -11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.717 -11.175 -9.731 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.916 -10.836 -10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.258 -13.215 -9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.060 -14.225 -8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.604 -12.138 -10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.237 -13.619 -9.200 1.00 0.00 H new ATOM 1466 N GLN A 90 -0.735 -7.082 -7.631 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.266 -5.896 -6.970 1.00 0.00 C ATOM 1468 C GLN A 90 -1.421 -6.132 -5.471 1.00 0.00 C ATOM 1469 O GLN A 90 -1.796 -7.223 -5.041 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.613 -5.506 -7.580 1.00 0.00 C ATOM 1471 CG GLN A 90 -3.576 -6.674 -7.725 1.00 0.00 C ATOM 1472 CD GLN A 90 -4.350 -6.954 -6.452 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -4.296 -8.059 -5.910 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -5.075 -5.953 -5.967 1.00 0.00 N ATOM 0 H GLN A 90 -1.122 -7.963 -7.292 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.559 -5.080 -7.119 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.076 -4.739 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.443 -5.062 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.277 -6.464 -8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.019 -7.566 -8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.090 -5.054 -6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.617 -6.083 -5.112 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.131 -5.104 -4.682 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.240 -5.200 -3.232 1.00 0.00 C ATOM 1485 C ILE A 91 -2.452 -4.429 -2.719 1.00 0.00 C ATOM 1486 O ILE A 91 -2.690 -3.290 -3.120 1.00 0.00 O ATOM 1487 CB ILE A 91 0.026 -4.666 -2.536 1.00 0.00 C ATOM 1488 CG1 ILE A 91 1.275 -5.328 -3.123 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.053 -4.908 -1.036 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.557 -4.597 -2.792 1.00 0.00 C ATOM 0 H ILE A 91 -0.819 -4.195 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.358 -6.257 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 91 0.092 -3.592 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.343 -6.351 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.170 -5.388 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.849 -4.525 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.925 -4.395 -0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.140 -5.977 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.401 -5.122 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.510 -3.582 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.686 -4.560 -1.710 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.213 -5.058 -1.829 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.400 -4.429 -1.260 1.00 0.00 C ATOM 1504 C GLU A 92 -4.075 -3.757 0.071 1.00 0.00 C ATOM 1505 O GLU A 92 -3.433 -4.351 0.939 1.00 0.00 O ATOM 1506 CB GLU A 92 -5.508 -5.466 -1.064 1.00 0.00 C ATOM 1507 CG GLU A 92 -5.897 -6.191 -2.341 1.00 0.00 C ATOM 1508 CD GLU A 92 -6.918 -7.286 -2.103 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -7.740 -7.140 -1.174 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -6.896 -8.290 -2.846 1.00 0.00 O ATOM 0 H GLU A 92 -3.029 -6.001 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.745 -3.666 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.182 -6.198 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.389 -4.971 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.301 -5.472 -3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.005 -6.623 -2.795 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.522 -2.516 0.224 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.280 -1.761 1.449 1.00 0.00 C ATOM 1519 C LEU A 93 -5.565 -1.112 1.952 1.00 0.00 C ATOM 1520 O LEU A 93 -6.030 -0.119 1.393 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.214 -0.691 1.209 1.00 0.00 C ATOM 1522 CG LEU A 93 -1.831 -1.201 0.802 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -0.968 -0.056 0.293 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.155 -1.901 1.971 1.00 0.00 C ATOM 0 H LEU A 93 -5.054 -2.011 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.924 -2.455 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.574 -0.016 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.108 -0.101 2.120 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.955 -1.923 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.012 -0.438 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.445 0.402 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.852 0.690 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.172 -2.257 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.044 -1.201 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.764 -2.747 2.290 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.133 -1.678 3.012 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.361 -1.151 3.593 1.00 0.00 C ATOM 1538 C ALA A 94 -7.059 -0.153 4.706 1.00 0.00 C ATOM 1539 O ALA A 94 -6.045 -0.267 5.395 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.225 -2.287 4.120 1.00 0.00 C ATOM 0 H ALA A 94 -5.762 -2.502 3.486 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.908 -0.626 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.139 -1.879 4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.479 -2.961 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.677 -2.836 4.885 1.00 0.00 H new ATOM 1546 N CYS A 95 -7.943 0.824 4.874 1.00 0.00 N ATOM 1547 CA CYS A 95 -7.769 1.843 5.903 1.00 0.00 C ATOM 1548 C CYS A 95 -8.931 1.822 6.891 1.00 0.00 C ATOM 1549 O CYS A 95 -9.857 1.021 6.759 1.00 0.00 O ATOM 1550 CB CYS A 95 -7.652 3.227 5.264 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.169 3.452 4.255 1.00 0.00 S ATOM 0 H CYS A 95 -8.787 0.932 4.311 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.850 1.623 6.446 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.531 3.404 4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -7.660 3.981 6.051 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.162 4.652 3.756 1.00 0.00 H new ATOM 1557 N ASP A 96 -8.874 2.705 7.881 1.00 0.00 N ATOM 1558 CA ASP A 96 -9.922 2.788 8.893 1.00 0.00 C ATOM 1559 C ASP A 96 -11.134 3.544 8.359 1.00 0.00 C ATOM 1560 O ASP A 96 -12.270 3.087 8.489 1.00 0.00 O ATOM 1561 CB ASP A 96 -9.391 3.475 10.152 1.00 0.00 C ATOM 1562 CG ASP A 96 -8.340 2.646 10.864 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -8.697 1.583 11.415 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -7.162 3.060 10.873 1.00 0.00 O ATOM 0 H ASP A 96 -8.114 3.374 8.005 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.231 1.774 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.966 4.442 9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.219 3.669 10.833 1.00 0.00 H new ATOM 1569 N SER A 97 -10.885 4.704 7.759 1.00 0.00 N ATOM 1570 CA SER A 97 -11.957 5.526 7.210 1.00 0.00 C ATOM 1571 C SER A 97 -11.547 6.129 5.869 1.00 0.00 C ATOM 1572 O SER A 97 -10.360 6.219 5.555 1.00 0.00 O ATOM 1573 CB SER A 97 -12.328 6.640 8.191 1.00 0.00 C ATOM 1574 OG SER A 97 -13.220 6.167 9.185 1.00 0.00 O ATOM 0 H SER A 97 -9.951 5.095 7.641 1.00 0.00 H new ATOM 0 HA SER A 97 -12.826 4.887 7.051 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.426 7.029 8.663 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.787 7.468 7.650 1.00 0.00 H new ATOM 0 HG SER A 97 -13.441 6.897 9.801 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.538 6.540 5.085 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.280 7.134 3.778 1.00 0.00 C ATOM 1582 C GLN A 98 -11.271 8.272 3.887 1.00 0.00 C ATOM 1583 O GLN A 98 -10.344 8.370 3.084 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.583 7.648 3.163 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.385 8.391 1.851 1.00 0.00 C ATOM 1586 CD GLN A 98 -13.285 7.457 0.661 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -14.203 6.684 0.385 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -12.167 7.524 -0.053 1.00 0.00 N ATOM 0 H GLN A 98 -13.526 6.473 5.331 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.861 6.363 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.254 6.805 2.996 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.075 8.310 3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.216 9.080 1.699 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.479 8.994 1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.432 8.179 0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.044 6.920 -0.866 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.460 9.131 4.884 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.566 10.263 5.096 1.00 0.00 C ATOM 1599 C GLU A 99 -9.112 9.858 4.868 1.00 0.00 C ATOM 1600 O GLU A 99 -8.430 10.415 4.007 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.736 10.818 6.511 1.00 0.00 C ATOM 1602 CG GLU A 99 -12.114 11.402 6.774 1.00 0.00 C ATOM 1603 CD GLU A 99 -12.103 12.454 7.867 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -11.712 13.604 7.580 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -12.487 12.126 9.009 1.00 0.00 O ATOM 0 H GLU A 99 -12.224 9.064 5.557 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.827 11.039 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.545 10.021 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -9.985 11.589 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.499 11.843 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.797 10.600 7.054 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.646 8.888 5.645 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.274 8.408 5.529 1.00 0.00 C ATOM 1614 C ASP A 100 -6.931 8.089 4.077 1.00 0.00 C ATOM 1615 O ASP A 100 -5.993 8.651 3.512 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.070 7.166 6.399 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.278 7.452 7.873 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -8.428 7.331 8.344 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -6.291 7.797 8.556 1.00 0.00 O ATOM 0 H ASP A 100 -9.198 8.418 6.363 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.608 9.198 5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.762 6.386 6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.062 6.780 6.245 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.696 7.181 3.479 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.474 6.787 2.093 1.00 0.00 C ATOM 1626 C VAL A 101 -7.263 8.006 1.202 1.00 0.00 C ATOM 1627 O VAL A 101 -6.271 8.094 0.477 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.656 5.965 1.547 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.457 5.658 0.070 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -8.828 4.683 2.348 1.00 0.00 C ATOM 0 H VAL A 101 -8.475 6.704 3.933 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.575 6.171 2.080 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.566 6.556 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.302 5.077 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.387 6.591 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.538 5.086 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.668 4.114 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.919 4.086 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.021 4.929 3.392 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.200 8.945 1.262 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.116 10.161 0.461 1.00 0.00 C ATOM 1642 C ASP A 102 -6.759 10.835 0.637 1.00 0.00 C ATOM 1643 O ASP A 102 -6.088 11.167 -0.340 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.235 11.130 0.848 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.584 12.088 -0.274 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -8.835 13.067 -0.473 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -10.608 11.860 -0.952 1.00 0.00 O ATOM 0 H ASP A 102 -9.027 8.888 1.857 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.231 9.885 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.123 10.563 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.931 11.699 1.727 1.00 0.00 H new ATOM 1652 N SER A 103 -6.361 11.035 1.890 1.00 0.00 N ATOM 1653 CA SER A 103 -5.086 11.674 2.195 1.00 0.00 C ATOM 1654 C SER A 103 -3.928 10.894 1.581 1.00 0.00 C ATOM 1655 O SER A 103 -3.023 11.475 0.981 1.00 0.00 O ATOM 1656 CB SER A 103 -4.897 11.785 3.709 1.00 0.00 C ATOM 1657 OG SER A 103 -3.867 12.705 4.027 1.00 0.00 O ATOM 0 H SER A 103 -6.903 10.764 2.710 1.00 0.00 H new ATOM 0 HA SER A 103 -5.096 12.675 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.830 12.104 4.173 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.655 10.806 4.121 1.00 0.00 H new ATOM 0 HG SER A 103 -3.766 12.760 5.000 1.00 0.00 H new ATOM 1663 N TRP A 104 -3.963 9.576 1.737 1.00 0.00 N ATOM 1664 CA TRP A 104 -2.916 8.715 1.199 1.00 0.00 C ATOM 1665 C TRP A 104 -2.709 8.974 -0.289 1.00 0.00 C ATOM 1666 O TRP A 104 -1.590 9.229 -0.736 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.268 7.244 1.428 1.00 0.00 C ATOM 1668 CG TRP A 104 -2.755 6.706 2.730 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.492 6.400 3.838 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.393 6.413 3.058 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -2.670 5.935 4.836 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.378 5.932 4.382 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.184 6.508 2.363 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.201 5.550 5.022 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.982 6.129 2.999 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.967 5.653 4.317 1.00 0.00 C ATOM 0 H TRP A 104 -4.705 9.080 2.231 1.00 0.00 H new ATOM 0 HA TRP A 104 -1.988 8.945 1.722 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.351 7.128 1.397 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -2.860 6.649 0.611 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.564 6.508 3.918 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -2.973 5.640 5.764 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.162 6.871 1.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.210 5.185 6.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.922 6.201 2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.896 5.362 4.785 1.00 0.00 H new ATOM 1687 N LYS A 105 -3.793 8.909 -1.053 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.731 9.138 -2.492 1.00 0.00 C ATOM 1689 C LYS A 105 -2.999 10.439 -2.804 1.00 0.00 C ATOM 1690 O LYS A 105 -2.001 10.443 -3.524 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.142 9.180 -3.084 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.782 7.810 -3.228 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.262 7.918 -3.554 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.749 6.710 -4.340 1.00 0.00 C ATOM 1695 NZ LYS A 105 -9.230 6.714 -4.502 1.00 0.00 N ATOM 0 H LYS A 105 -4.727 8.699 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.179 8.313 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.774 9.802 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.102 9.658 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.275 7.251 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.652 7.248 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.834 8.007 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.444 8.825 -4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.276 6.701 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.442 5.797 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.522 5.875 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.682 6.697 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.521 7.573 -5.011 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.501 11.541 -2.257 1.00 0.00 N ATOM 1710 CA ALA A 106 -2.891 12.848 -2.475 1.00 0.00 C ATOM 1711 C ALA A 106 -1.393 12.809 -2.192 1.00 0.00 C ATOM 1712 O ALA A 106 -0.601 13.423 -2.907 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.567 13.897 -1.605 1.00 0.00 C ATOM 0 H ALA A 106 -4.328 11.555 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.029 13.116 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.102 14.868 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.626 13.952 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.458 13.624 -0.555 1.00 0.00 H new ATOM 1719 N SER A 107 -1.012 12.083 -1.146 1.00 0.00 N ATOM 1720 CA SER A 107 0.392 11.968 -0.767 1.00 0.00 C ATOM 1721 C SER A 107 1.203 11.309 -1.878 1.00 0.00 C ATOM 1722 O SER A 107 2.264 11.801 -2.263 1.00 0.00 O ATOM 1723 CB SER A 107 0.528 11.161 0.526 1.00 0.00 C ATOM 1724 OG SER A 107 -0.092 11.829 1.611 1.00 0.00 O ATOM 0 H SER A 107 -1.655 11.566 -0.546 1.00 0.00 H new ATOM 0 HA SER A 107 0.782 12.973 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.076 10.178 0.394 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.583 11.000 0.749 1.00 0.00 H new ATOM 0 HG SER A 107 -1.066 11.781 1.512 1.00 0.00 H new ATOM 1730 N PHE A 108 0.695 10.193 -2.391 1.00 0.00 N ATOM 1731 CA PHE A 108 1.371 9.465 -3.458 1.00 0.00 C ATOM 1732 C PHE A 108 1.621 10.370 -4.661 1.00 0.00 C ATOM 1733 O PHE A 108 2.700 10.349 -5.255 1.00 0.00 O ATOM 1734 CB PHE A 108 0.541 8.251 -3.882 1.00 0.00 C ATOM 1735 CG PHE A 108 0.777 7.037 -3.030 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.837 6.185 -3.294 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.062 6.747 -1.966 1.00 0.00 C ATOM 1738 CE1 PHE A 108 2.056 5.066 -2.513 1.00 0.00 C ATOM 1739 CE2 PHE A 108 0.152 5.630 -1.181 1.00 0.00 C ATOM 1740 CZ PHE A 108 1.213 4.789 -1.454 1.00 0.00 C ATOM 0 H PHE A 108 -0.183 9.773 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 108 2.333 9.123 -3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.516 8.512 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.771 8.008 -4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.500 6.398 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.893 7.402 -1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.885 4.409 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.510 5.415 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.383 3.916 -0.841 1.00 0.00 H new ATOM 1750 N LEU A 109 0.616 11.163 -5.015 1.00 0.00 N ATOM 1751 CA LEU A 109 0.725 12.076 -6.147 1.00 0.00 C ATOM 1752 C LEU A 109 2.078 12.780 -6.152 1.00 0.00 C ATOM 1753 O LEU A 109 2.777 12.796 -7.165 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.401 13.111 -6.103 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.822 12.564 -6.235 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.722 13.575 -6.927 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -1.817 11.245 -6.994 1.00 0.00 C ATOM 0 H LEU A 109 -0.283 11.192 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 109 0.638 11.491 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.329 13.656 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.235 13.833 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.215 12.384 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.729 13.167 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.751 14.495 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.332 13.788 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.837 10.870 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.404 11.400 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.207 10.519 -6.457 1.00 0.00 H new ATOM 1769 N ARG A 110 2.442 13.359 -5.012 1.00 0.00 N ATOM 1770 CA ARG A 110 3.712 14.062 -4.884 1.00 0.00 C ATOM 1771 C ARG A 110 4.876 13.161 -5.284 1.00 0.00 C ATOM 1772 O ARG A 110 5.893 13.632 -5.793 1.00 0.00 O ATOM 1773 CB ARG A 110 3.905 14.555 -3.449 1.00 0.00 C ATOM 1774 CG ARG A 110 3.068 15.777 -3.106 1.00 0.00 C ATOM 1775 CD ARG A 110 1.587 15.436 -3.039 1.00 0.00 C ATOM 1776 NE ARG A 110 0.781 16.579 -2.616 1.00 0.00 N ATOM 1777 CZ ARG A 110 0.672 16.973 -1.353 1.00 0.00 C ATOM 1778 NH1 ARG A 110 1.313 16.321 -0.393 1.00 0.00 N ATOM 1779 NH2 ARG A 110 -0.080 18.023 -1.047 1.00 0.00 N ATOM 0 H ARG A 110 1.875 13.355 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 110 3.692 14.920 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.654 13.748 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.958 14.791 -3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.392 16.185 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.231 16.553 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.249 15.096 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.436 14.609 -2.345 1.00 0.00 H new ATOM 0 HE ARG A 110 0.275 17.103 -3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.892 15.514 -0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.227 16.627 0.576 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.575 18.528 -1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.163 18.325 -0.076 1.00 0.00 H new ATOM 1793 N ALA A 111 4.720 11.862 -5.049 1.00 0.00 N ATOM 1794 CA ALA A 111 5.757 10.894 -5.386 1.00 0.00 C ATOM 1795 C ALA A 111 5.810 10.649 -6.890 1.00 0.00 C ATOM 1796 O ALA A 111 6.783 10.099 -7.405 1.00 0.00 O ATOM 1797 CB ALA A 111 5.520 9.587 -4.644 1.00 0.00 C ATOM 0 H ALA A 111 3.885 11.456 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 111 6.718 11.305 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.302 8.874 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.540 9.770 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.549 9.180 -4.925 1.00 0.00 H new ATOM 1803 N GLY A 112 4.757 11.059 -7.591 1.00 0.00 N ATOM 1804 CA GLY A 112 4.705 10.874 -9.029 1.00 0.00 C ATOM 1805 C GLY A 112 3.929 9.633 -9.426 1.00 0.00 C ATOM 1806 O GLY A 112 4.259 8.975 -10.412 1.00 0.00 O ATOM 0 H GLY A 112 3.939 11.516 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.245 11.749 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.720 10.805 -9.420 1.00 0.00 H new ATOM 1810 N VAL A 113 2.896 9.311 -8.654 1.00 0.00 N ATOM 1811 CA VAL A 113 2.072 8.141 -8.930 1.00 0.00 C ATOM 1812 C VAL A 113 1.137 8.392 -10.108 1.00 0.00 C ATOM 1813 O VAL A 113 0.505 7.468 -10.620 1.00 0.00 O ATOM 1814 CB VAL A 113 1.234 7.742 -7.700 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.256 8.848 -7.338 1.00 0.00 C ATOM 1816 CG2 VAL A 113 0.501 6.433 -7.957 1.00 0.00 C ATOM 0 H VAL A 113 2.610 9.844 -7.833 1.00 0.00 H new ATOM 0 HA VAL A 113 2.752 7.326 -9.177 1.00 0.00 H new ATOM 0 HB VAL A 113 1.907 7.595 -6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.327 8.548 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.807 9.760 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.414 9.030 -8.178 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.086 6.166 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.162 6.549 -8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.225 5.645 -8.163 1.00 0.00 H new