USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 715 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.52) USER MOD Set 2.1: A 56 SER OG : rot 156:sc= 0.0422! USER MOD Set 2.2: A 61 GLN : amide:sc= 0.581 K(o=0.62,f=-0.8!) USER MOD Single : A 1 VAL N :NH3+ 166:sc= -0.0524 (180deg=-0.286) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -52:sc= 0.0379! USER MOD Single : A 10 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.179) USER MOD Single : A 12 SER OG : rot -90:sc= -0.48 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -2.65! F(o=-3.5,f=-2.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -162:sc= 0.372 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.8) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 175:sc= -4.91! (180deg=-5.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00744 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -3.02! C(o=-3!,f=-7.1!) USER MOD Single : A 70 THR OG1 : rot -134:sc= 0.716 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 166:sc= -3.23! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.819 13.669 22.338 1.00 0.00 N ATOM 2 CA VAL A 1 4.861 12.849 23.586 1.00 0.00 C ATOM 3 C VAL A 1 4.897 13.757 24.814 1.00 0.00 C ATOM 4 O VAL A 1 5.897 14.431 25.062 1.00 0.00 O ATOM 5 CB VAL A 1 6.085 11.936 23.595 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.368 12.760 23.541 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.078 11.040 24.831 1.00 0.00 C ATOM 0 H1 VAL A 1 5.032 13.065 21.519 1.00 0.00 H new ATOM 0 H2 VAL A 1 3.871 14.083 22.226 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.524 14.431 22.399 1.00 0.00 H new ATOM 0 HA VAL A 1 3.962 12.234 23.615 1.00 0.00 H new ATOM 0 HB VAL A 1 6.045 11.301 22.710 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.230 12.093 23.548 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.379 13.357 22.629 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.413 13.420 24.407 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.958 10.397 24.819 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.092 11.658 25.729 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.179 10.424 24.829 1.00 0.00 H new ATOM 19 N PRO A 2 3.808 13.790 25.603 1.00 0.00 N ATOM 20 CA PRO A 2 3.736 14.628 26.810 1.00 0.00 C ATOM 21 C PRO A 2 4.586 14.070 27.946 1.00 0.00 C ATOM 22 O PRO A 2 4.164 13.163 28.662 1.00 0.00 O ATOM 23 CB PRO A 2 2.260 14.614 27.183 1.00 0.00 C ATOM 24 CG PRO A 2 1.716 13.353 26.596 1.00 0.00 C ATOM 25 CD PRO A 2 2.567 13.023 25.393 1.00 0.00 C ATOM 0 HA PRO A 2 4.122 15.631 26.630 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.128 14.633 28.265 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.745 15.488 26.783 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.748 12.543 27.325 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.673 13.481 26.307 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.767 11.953 25.328 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.073 13.312 24.465 1.00 0.00 H new ATOM 33 N LYS A 3 5.787 14.619 28.104 1.00 0.00 N ATOM 34 CA LYS A 3 6.701 14.177 29.152 1.00 0.00 C ATOM 35 C LYS A 3 7.902 15.112 29.237 1.00 0.00 C ATOM 36 O LYS A 3 8.778 15.090 28.373 1.00 0.00 O ATOM 37 CB LYS A 3 7.170 12.753 28.868 1.00 0.00 C ATOM 38 CG LYS A 3 7.315 11.950 30.157 1.00 0.00 C ATOM 39 CD LYS A 3 8.513 11.008 30.089 1.00 0.00 C ATOM 40 CE LYS A 3 8.299 9.779 30.967 1.00 0.00 C ATOM 41 NZ LYS A 3 7.687 8.663 30.193 1.00 0.00 N ATOM 0 H LYS A 3 6.150 15.371 27.519 1.00 0.00 H new ATOM 0 HA LYS A 3 6.174 14.196 30.106 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.458 12.258 28.207 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.126 12.780 28.344 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.431 12.630 31.001 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.406 11.375 30.334 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.676 10.697 29.057 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.412 11.535 30.409 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.253 9.456 31.383 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.655 10.037 31.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.553 7.841 30.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.766 8.966 29.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.314 8.402 29.405 1.00 0.00 H new ATOM 55 N VAL A 4 7.937 15.933 30.282 1.00 0.00 N ATOM 56 CA VAL A 4 9.032 16.877 30.478 1.00 0.00 C ATOM 57 C VAL A 4 9.788 16.554 31.759 1.00 0.00 C ATOM 58 O VAL A 4 9.301 15.822 32.620 1.00 0.00 O ATOM 59 CB VAL A 4 8.484 18.309 30.519 1.00 0.00 C ATOM 60 CG1 VAL A 4 7.230 18.378 31.385 1.00 0.00 C ATOM 61 CG2 VAL A 4 9.527 19.314 31.013 1.00 0.00 C ATOM 0 H VAL A 4 7.220 15.964 31.006 1.00 0.00 H new ATOM 0 HA VAL A 4 9.727 16.792 29.643 1.00 0.00 H new ATOM 0 HB VAL A 4 8.227 18.583 29.496 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.856 19.402 31.402 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.466 17.719 30.972 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.471 18.063 32.400 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.092 20.313 31.025 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.844 19.044 32.021 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.389 19.301 30.346 1.00 0.00 H new ATOM 71 N THR A 5 10.982 17.115 31.867 1.00 0.00 N ATOM 72 CA THR A 5 11.831 16.908 33.035 1.00 0.00 C ATOM 73 C THR A 5 12.385 18.239 33.525 1.00 0.00 C ATOM 74 O THR A 5 12.770 19.093 32.726 1.00 0.00 O ATOM 75 CB THR A 5 12.979 15.966 32.686 1.00 0.00 C ATOM 76 OG1 THR A 5 13.268 16.047 31.299 1.00 0.00 O ATOM 77 CG2 THR A 5 12.638 14.529 33.067 1.00 0.00 C ATOM 0 H THR A 5 11.389 17.722 31.156 1.00 0.00 H new ATOM 0 HA THR A 5 11.232 16.461 33.828 1.00 0.00 H new ATOM 0 HB THR A 5 13.858 16.271 33.254 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.007 15.441 31.083 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.472 13.876 32.808 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.451 14.471 34.139 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.747 14.211 32.526 1.00 0.00 H new ATOM 85 N PHE A 6 12.425 18.411 34.841 1.00 0.00 N ATOM 86 CA PHE A 6 12.934 19.641 35.438 1.00 0.00 C ATOM 87 C PHE A 6 14.381 19.457 35.874 1.00 0.00 C ATOM 88 O PHE A 6 14.978 18.404 35.644 1.00 0.00 O ATOM 89 CB PHE A 6 12.072 20.034 36.633 1.00 0.00 C ATOM 90 CG PHE A 6 10.637 20.296 36.254 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.799 19.239 35.938 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.156 21.594 36.219 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.481 19.480 35.588 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.838 21.835 35.869 1.00 0.00 C ATOM 95 CZ PHE A 6 8.000 20.778 35.554 1.00 0.00 C ATOM 0 H PHE A 6 12.111 17.714 35.516 1.00 0.00 H new ATOM 0 HA PHE A 6 12.893 20.436 34.694 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.107 19.239 37.378 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.489 20.927 37.099 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.174 18.226 35.965 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.809 22.419 36.465 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.828 18.656 35.342 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.463 22.848 35.842 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.972 20.966 35.282 1.00 0.00 H new ATOM 105 N THR A 7 14.944 20.485 36.503 1.00 0.00 N ATOM 106 CA THR A 7 16.326 20.436 36.969 1.00 0.00 C ATOM 107 C THR A 7 16.610 21.600 37.909 1.00 0.00 C ATOM 108 O THR A 7 16.616 22.759 37.493 1.00 0.00 O ATOM 109 CB THR A 7 17.286 20.486 35.781 1.00 0.00 C ATOM 110 OG1 THR A 7 16.755 19.751 34.689 1.00 0.00 O ATOM 111 CG2 THR A 7 18.654 19.931 36.167 1.00 0.00 C ATOM 0 H THR A 7 14.464 21.363 36.702 1.00 0.00 H new ATOM 0 HA THR A 7 16.475 19.501 37.509 1.00 0.00 H new ATOM 0 HB THR A 7 17.407 21.528 35.484 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.511 18.850 34.989 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.321 19.976 35.306 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.071 20.524 36.981 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.549 18.895 36.490 1.00 0.00 H new ATOM 119 N VAL A 8 16.847 21.286 39.178 1.00 0.00 N ATOM 120 CA VAL A 8 17.135 22.306 40.180 1.00 0.00 C ATOM 121 C VAL A 8 18.466 22.983 39.878 1.00 0.00 C ATOM 122 O VAL A 8 19.531 22.431 40.152 1.00 0.00 O ATOM 123 CB VAL A 8 17.176 21.672 41.566 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.386 22.738 42.639 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.893 20.891 41.831 1.00 0.00 C ATOM 0 H VAL A 8 16.845 20.332 39.538 1.00 0.00 H new ATOM 0 HA VAL A 8 16.347 23.058 40.153 1.00 0.00 H new ATOM 0 HB VAL A 8 18.017 20.979 41.604 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.412 22.266 43.621 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.329 23.254 42.459 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.567 23.456 42.604 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.938 20.444 42.824 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.038 21.565 41.774 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.785 20.105 41.084 1.00 0.00 H new ATOM 135 N GLU A 9 18.397 24.181 39.308 1.00 0.00 N ATOM 136 CA GLU A 9 19.597 24.936 38.962 1.00 0.00 C ATOM 137 C GLU A 9 20.499 25.096 40.179 1.00 0.00 C ATOM 138 O GLU A 9 20.195 24.592 41.261 1.00 0.00 O ATOM 139 CB GLU A 9 19.208 26.308 38.421 1.00 0.00 C ATOM 140 CG GLU A 9 18.891 26.243 36.931 1.00 0.00 C ATOM 141 CD GLU A 9 19.886 27.086 36.144 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.252 28.178 36.626 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.296 26.653 35.047 1.00 0.00 O ATOM 0 H GLU A 9 17.522 24.651 39.075 1.00 0.00 H new ATOM 0 HA GLU A 9 20.143 24.387 38.195 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.341 26.684 38.964 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.021 27.013 38.592 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.929 25.209 36.589 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.877 26.602 36.751 1.00 0.00 H new ATOM 150 N LYS A 10 21.609 25.802 39.994 1.00 0.00 N ATOM 151 CA LYS A 10 22.562 26.033 41.075 1.00 0.00 C ATOM 152 C LYS A 10 22.271 27.362 41.760 1.00 0.00 C ATOM 153 O LYS A 10 23.178 28.160 41.998 1.00 0.00 O ATOM 154 CB LYS A 10 23.985 26.035 40.525 1.00 0.00 C ATOM 155 CG LYS A 10 24.523 24.614 40.377 1.00 0.00 C ATOM 156 CD LYS A 10 25.813 24.426 41.171 1.00 0.00 C ATOM 157 CE LYS A 10 26.872 23.706 40.341 1.00 0.00 C ATOM 158 NZ LYS A 10 26.378 22.385 39.859 1.00 0.00 N ATOM 0 H LYS A 10 21.872 26.225 39.104 1.00 0.00 H new ATOM 0 HA LYS A 10 22.462 25.230 41.806 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.003 26.536 39.557 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.634 26.605 41.190 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.774 23.901 40.721 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.707 24.400 39.324 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.193 25.397 41.487 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.606 23.855 42.076 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.151 24.325 39.488 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.771 23.564 40.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.186 21.796 39.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.858 21.909 40.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 25.746 22.527 39.046 1.00 0.00 H new ATOM 172 N GLY A 11 21.001 27.595 42.074 1.00 0.00 N ATOM 173 CA GLY A 11 20.590 28.830 42.732 1.00 0.00 C ATOM 174 C GLY A 11 19.653 28.539 43.897 1.00 0.00 C ATOM 175 O GLY A 11 18.865 29.395 44.300 1.00 0.00 O ATOM 0 H GLY A 11 20.239 26.945 41.883 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.469 29.365 43.092 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.092 29.481 42.014 1.00 0.00 H new ATOM 179 N SER A 12 19.740 27.327 44.437 1.00 0.00 N ATOM 180 CA SER A 12 18.898 26.924 45.557 1.00 0.00 C ATOM 181 C SER A 12 19.543 27.331 46.876 1.00 0.00 C ATOM 182 O SER A 12 20.518 26.720 47.316 1.00 0.00 O ATOM 183 CB SER A 12 18.681 25.415 45.526 1.00 0.00 C ATOM 184 OG SER A 12 18.314 24.992 44.223 1.00 0.00 O ATOM 0 H SER A 12 20.386 26.606 44.116 1.00 0.00 H new ATOM 0 HA SER A 12 17.934 27.425 45.470 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.592 24.904 45.837 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.902 25.139 46.237 1.00 0.00 H new ATOM 0 HG SER A 12 17.338 25.017 44.134 1.00 0.00 H new ATOM 190 N ASN A 13 18.995 28.366 47.504 1.00 0.00 N ATOM 191 CA ASN A 13 19.517 28.857 48.774 1.00 0.00 C ATOM 192 C ASN A 13 18.663 28.349 49.931 1.00 0.00 C ATOM 193 O ASN A 13 17.962 27.346 49.801 1.00 0.00 O ATOM 194 CB ASN A 13 19.543 30.384 48.769 1.00 0.00 C ATOM 195 CG ASN A 13 20.133 30.897 47.461 1.00 0.00 C ATOM 196 OD1 ASN A 13 21.093 30.331 46.937 1.00 0.00 O ATOM 197 ND2 ASN A 13 19.558 31.971 46.932 1.00 0.00 N ATOM 0 H ASN A 13 18.188 28.882 47.153 1.00 0.00 H new ATOM 0 HA ASN A 13 20.533 28.485 48.904 1.00 0.00 H new ATOM 0 HB2 ASN A 13 18.533 30.772 48.898 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.134 30.748 49.610 1.00 0.00 H new ATOM 0 HD21 ASN A 13 19.910 32.359 46.057 1.00 0.00 H new ATOM 0 HD22 ASN A 13 18.764 32.408 47.401 1.00 0.00 H new ATOM 204 N GLU A 14 18.729 29.043 51.067 1.00 0.00 N ATOM 205 CA GLU A 14 17.965 28.660 52.254 1.00 0.00 C ATOM 206 C GLU A 14 16.520 28.328 51.893 1.00 0.00 C ATOM 207 O GLU A 14 16.067 27.200 52.085 1.00 0.00 O ATOM 208 CB GLU A 14 17.996 29.792 53.275 1.00 0.00 C ATOM 209 CG GLU A 14 18.055 29.249 54.700 1.00 0.00 C ATOM 210 CD GLU A 14 17.866 30.380 55.703 1.00 0.00 C ATOM 211 OE1 GLU A 14 18.225 31.531 55.377 1.00 0.00 O ATOM 212 OE2 GLU A 14 17.359 30.113 56.813 1.00 0.00 O ATOM 0 H GLU A 14 19.305 29.876 51.190 1.00 0.00 H new ATOM 0 HA GLU A 14 18.423 27.769 52.683 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.861 30.429 53.090 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.110 30.416 53.157 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.281 28.495 54.842 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.013 28.758 54.871 1.00 0.00 H new ATOM 219 N LYS A 15 15.798 29.316 51.372 1.00 0.00 N ATOM 220 CA LYS A 15 14.402 29.122 50.990 1.00 0.00 C ATOM 221 C LYS A 15 14.195 29.415 49.507 1.00 0.00 C ATOM 222 O LYS A 15 13.069 29.647 49.067 1.00 0.00 O ATOM 223 CB LYS A 15 13.504 30.028 51.826 1.00 0.00 C ATOM 224 CG LYS A 15 13.805 31.501 51.561 1.00 0.00 C ATOM 225 CD LYS A 15 14.354 32.186 52.809 1.00 0.00 C ATOM 226 CE LYS A 15 14.322 33.705 52.665 1.00 0.00 C ATOM 227 NZ LYS A 15 13.620 34.343 53.814 1.00 0.00 N ATOM 0 H LYS A 15 16.155 30.257 51.205 1.00 0.00 H new ATOM 0 HA LYS A 15 14.140 28.080 51.174 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.459 29.821 51.596 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.647 29.810 52.884 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.527 31.587 50.749 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.897 32.007 51.235 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.767 31.888 53.678 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.378 31.857 52.987 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.341 34.088 52.600 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.821 33.974 51.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.614 35.375 53.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.641 33.995 53.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.114 34.105 54.698 1.00 0.00 H new ATOM 241 N HIS A 16 15.279 29.400 48.737 1.00 0.00 N ATOM 242 CA HIS A 16 15.200 29.660 47.303 1.00 0.00 C ATOM 243 C HIS A 16 15.241 28.349 46.531 1.00 0.00 C ATOM 244 O HIS A 16 16.100 27.501 46.773 1.00 0.00 O ATOM 245 CB HIS A 16 16.353 30.560 46.869 1.00 0.00 C ATOM 246 CG HIS A 16 15.994 32.013 46.886 1.00 0.00 C ATOM 247 ND1 HIS A 16 15.846 32.920 45.886 1.00 0.00 N flip ATOM 248 CD2 HIS A 16 15.735 32.711 48.037 1.00 0.00 C flip ATOM 249 CE1 HIS A 16 15.504 34.131 46.462 1.00 0.00 C flip ATOM 250 NE2 HIS A 16 15.446 33.965 47.773 1.00 0.00 N flip ATOM 0 H HIS A 16 16.221 29.211 49.081 1.00 0.00 H new ATOM 0 HA HIS A 16 14.259 30.166 47.088 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.205 30.394 47.528 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.668 30.280 45.864 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.765 32.286 49.030 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.317 35.053 45.932 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.217 34.685 48.459 1.00 0.00 H new ATOM 258 N LEU A 17 14.304 28.185 45.604 1.00 0.00 N ATOM 259 CA LEU A 17 14.227 26.970 44.799 1.00 0.00 C ATOM 260 C LEU A 17 14.312 27.308 43.315 1.00 0.00 C ATOM 261 O LEU A 17 13.296 27.550 42.664 1.00 0.00 O ATOM 262 CB LEU A 17 12.918 26.239 45.097 1.00 0.00 C ATOM 263 CG LEU A 17 13.054 24.728 44.916 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.242 24.377 43.443 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.209 24.181 45.751 1.00 0.00 C ATOM 0 H LEU A 17 13.587 28.878 45.391 1.00 0.00 H new ATOM 0 HA LEU A 17 15.067 26.323 45.054 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.606 26.455 46.119 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.135 26.614 44.438 1.00 0.00 H new ATOM 0 HG LEU A 17 12.133 24.261 45.265 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.337 23.296 43.336 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.380 24.724 42.873 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.144 24.860 43.066 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.285 23.104 45.605 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.140 24.656 45.440 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.028 24.392 46.805 1.00 0.00 H new ATOM 277 N ALA A 18 15.532 27.319 42.787 1.00 0.00 N ATOM 278 CA ALA A 18 15.756 27.624 41.377 1.00 0.00 C ATOM 279 C ALA A 18 15.678 26.351 40.546 1.00 0.00 C ATOM 280 O ALA A 18 16.306 25.344 40.876 1.00 0.00 O ATOM 281 CB ALA A 18 17.121 28.280 41.194 1.00 0.00 C ATOM 0 H ALA A 18 16.382 27.120 43.315 1.00 0.00 H new ATOM 0 HA ALA A 18 14.982 28.314 41.041 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.279 28.504 40.139 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.161 29.204 41.771 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.900 27.602 41.541 1.00 0.00 H new ATOM 287 N VAL A 19 14.904 26.398 39.468 1.00 0.00 N ATOM 288 CA VAL A 19 14.745 25.244 38.591 1.00 0.00 C ATOM 289 C VAL A 19 14.975 25.640 37.140 1.00 0.00 C ATOM 290 O VAL A 19 14.750 26.787 36.754 1.00 0.00 O ATOM 291 CB VAL A 19 13.346 24.656 38.753 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.100 24.255 40.205 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.288 25.651 38.286 1.00 0.00 C ATOM 0 H VAL A 19 14.377 27.222 39.180 1.00 0.00 H new ATOM 0 HA VAL A 19 15.485 24.493 38.868 1.00 0.00 H new ATOM 0 HB VAL A 19 13.275 23.763 38.132 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.098 23.838 40.302 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.835 23.508 40.506 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.191 25.132 40.845 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.297 25.213 38.409 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.359 26.562 38.880 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.451 25.889 37.235 1.00 0.00 H new ATOM 303 N LEU A 20 15.420 24.680 36.338 1.00 0.00 N ATOM 304 CA LEU A 20 15.680 24.917 34.923 1.00 0.00 C ATOM 305 C LEU A 20 14.564 24.315 34.078 1.00 0.00 C ATOM 306 O LEU A 20 14.554 23.112 33.814 1.00 0.00 O ATOM 307 CB LEU A 20 17.020 24.303 34.532 1.00 0.00 C ATOM 308 CG LEU A 20 17.837 25.260 33.669 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.140 24.600 33.226 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.027 25.712 32.457 1.00 0.00 C ATOM 0 H LEU A 20 15.609 23.726 36.645 1.00 0.00 H new ATOM 0 HA LEU A 20 15.716 25.992 34.744 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.583 24.050 35.431 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.852 23.373 33.989 1.00 0.00 H new ATOM 0 HG LEU A 20 18.082 26.139 34.266 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.710 25.297 32.611 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.726 24.327 34.103 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.916 23.705 32.646 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.626 26.394 31.853 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.752 24.843 31.859 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.124 26.222 32.793 1.00 0.00 H new ATOM 322 N VAL A 21 13.619 25.154 33.664 1.00 0.00 N ATOM 323 CA VAL A 21 12.491 24.699 32.856 1.00 0.00 C ATOM 324 C VAL A 21 12.732 24.987 31.379 1.00 0.00 C ATOM 325 O VAL A 21 12.519 26.106 30.911 1.00 0.00 O ATOM 326 CB VAL A 21 11.211 25.389 33.317 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.998 24.804 32.599 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.051 25.262 34.829 1.00 0.00 C ATOM 0 H VAL A 21 13.611 26.152 33.874 1.00 0.00 H new ATOM 0 HA VAL A 21 12.388 23.622 32.984 1.00 0.00 H new ATOM 0 HB VAL A 21 11.281 26.447 33.066 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.094 25.309 32.941 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.108 24.946 31.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.924 23.739 32.819 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.133 25.760 35.141 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.003 24.208 35.103 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.903 25.727 35.325 1.00 0.00 H new ATOM 338 N LYS A 22 13.170 23.966 30.649 1.00 0.00 N ATOM 339 CA LYS A 22 13.437 24.096 29.220 1.00 0.00 C ATOM 340 C LYS A 22 14.022 22.801 28.673 1.00 0.00 C ATOM 341 O LYS A 22 14.542 21.978 29.427 1.00 0.00 O ATOM 342 CB LYS A 22 14.403 25.250 28.963 1.00 0.00 C ATOM 343 CG LYS A 22 15.696 25.079 29.754 1.00 0.00 C ATOM 344 CD LYS A 22 16.883 24.835 28.827 1.00 0.00 C ATOM 345 CE LYS A 22 17.400 26.142 28.233 1.00 0.00 C ATOM 346 NZ LYS A 22 18.705 26.533 28.837 1.00 0.00 N ATOM 0 H LYS A 22 13.348 23.035 31.026 1.00 0.00 H new ATOM 0 HA LYS A 22 12.496 24.303 28.711 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.630 25.306 27.898 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.928 26.192 29.238 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.878 25.970 30.355 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.594 24.243 30.446 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.683 24.342 29.379 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.587 24.160 28.024 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.514 26.034 27.154 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.669 26.933 28.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.030 27.425 28.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.589 26.659 29.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.408 25.788 28.657 1.00 0.00 H new ATOM 360 N TYR A 23 13.935 22.626 27.359 1.00 0.00 N ATOM 361 CA TYR A 23 14.456 21.428 26.709 1.00 0.00 C ATOM 362 C TYR A 23 14.683 21.687 25.225 1.00 0.00 C ATOM 363 O TYR A 23 14.277 20.893 24.377 1.00 0.00 O ATOM 364 CB TYR A 23 13.484 20.264 26.895 1.00 0.00 C ATOM 365 CG TYR A 23 12.038 20.685 26.829 1.00 0.00 C ATOM 366 CD1 TYR A 23 11.482 21.074 25.623 1.00 0.00 C ATOM 367 CD2 TYR A 23 11.264 20.685 27.977 1.00 0.00 C ATOM 368 CE1 TYR A 23 10.154 21.461 25.565 1.00 0.00 C ATOM 369 CE2 TYR A 23 9.937 21.072 27.917 1.00 0.00 C ATOM 370 CZ TYR A 23 9.388 21.458 26.711 1.00 0.00 C ATOM 371 OH TYR A 23 8.069 21.844 26.653 1.00 0.00 O ATOM 0 H TYR A 23 13.508 23.299 26.722 1.00 0.00 H new ATOM 0 HA TYR A 23 15.410 21.169 27.169 1.00 0.00 H new ATOM 0 HB2 TYR A 23 13.673 19.514 26.127 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.675 19.790 27.858 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.084 21.076 24.727 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.696 20.383 28.920 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.719 21.765 24.624 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.332 21.072 28.812 1.00 0.00 H new ATOM 0 HH TYR A 23 7.752 22.063 27.554 1.00 0.00 H new ATOM 381 N GLU A 24 15.337 22.803 24.919 1.00 0.00 N ATOM 382 CA GLU A 24 15.625 23.171 23.537 1.00 0.00 C ATOM 383 C GLU A 24 14.351 23.142 22.700 1.00 0.00 C ATOM 384 O GLU A 24 13.274 22.820 23.200 1.00 0.00 O ATOM 385 CB GLU A 24 16.654 22.209 22.954 1.00 0.00 C ATOM 386 CG GLU A 24 17.936 22.940 22.564 1.00 0.00 C ATOM 387 CD GLU A 24 18.827 22.033 21.724 1.00 0.00 C ATOM 388 OE1 GLU A 24 18.372 20.930 21.351 1.00 0.00 O ATOM 389 OE2 GLU A 24 19.978 22.426 21.440 1.00 0.00 O ATOM 0 H GLU A 24 15.678 23.470 25.611 1.00 0.00 H new ATOM 0 HA GLU A 24 16.027 24.184 23.519 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.883 21.432 23.683 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.236 21.712 22.079 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.692 23.842 22.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.469 23.256 23.460 1.00 0.00 H new ATOM 396 N GLY A 25 14.483 23.483 21.422 1.00 0.00 N ATOM 397 CA GLY A 25 13.345 23.499 20.509 1.00 0.00 C ATOM 398 C GLY A 25 12.349 24.581 20.904 1.00 0.00 C ATOM 399 O GLY A 25 12.352 25.676 20.342 1.00 0.00 O ATOM 0 H GLY A 25 15.369 23.753 20.994 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.693 23.673 19.491 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.854 22.526 20.516 1.00 0.00 H new ATOM 403 N ASP A 26 11.496 24.268 21.874 1.00 0.00 N ATOM 404 CA ASP A 26 10.489 25.214 22.344 1.00 0.00 C ATOM 405 C ASP A 26 11.156 26.422 22.991 1.00 0.00 C ATOM 406 O ASP A 26 12.357 26.410 23.261 1.00 0.00 O ATOM 407 CB ASP A 26 9.561 24.532 23.345 1.00 0.00 C ATOM 408 CG ASP A 26 8.741 23.450 22.653 1.00 0.00 C ATOM 409 OD1 ASP A 26 8.988 23.188 21.457 1.00 0.00 O ATOM 410 OD2 ASP A 26 7.853 22.865 23.308 1.00 0.00 O ATOM 0 H ASP A 26 11.482 23.366 22.350 1.00 0.00 H new ATOM 0 HA ASP A 26 9.904 25.555 21.490 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.146 24.093 24.153 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.897 25.269 23.796 1.00 0.00 H new ATOM 415 N THR A 27 10.369 27.465 23.235 1.00 0.00 N ATOM 416 CA THR A 27 10.881 28.687 23.848 1.00 0.00 C ATOM 417 C THR A 27 10.309 28.854 25.250 1.00 0.00 C ATOM 418 O THR A 27 9.844 27.890 25.859 1.00 0.00 O ATOM 419 CB THR A 27 10.519 29.895 22.988 1.00 0.00 C ATOM 420 OG1 THR A 27 9.959 29.466 21.756 1.00 0.00 O ATOM 421 CG2 THR A 27 11.748 30.763 22.729 1.00 0.00 C ATOM 0 H THR A 27 9.373 27.489 23.017 1.00 0.00 H new ATOM 0 HA THR A 27 11.966 28.615 23.919 1.00 0.00 H new ATOM 0 HB THR A 27 9.783 30.492 23.527 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.728 30.248 21.212 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.467 31.618 22.114 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.151 31.116 23.678 1.00 0.00 H new ATOM 0 HG23 THR A 27 12.505 30.176 22.209 1.00 0.00 H new ATOM 429 N MET A 28 10.347 30.081 25.762 1.00 0.00 N ATOM 430 CA MET A 28 9.833 30.371 27.097 1.00 0.00 C ATOM 431 C MET A 28 8.728 31.416 27.031 1.00 0.00 C ATOM 432 O MET A 28 8.918 32.504 26.488 1.00 0.00 O ATOM 433 CB MET A 28 10.961 30.872 27.988 1.00 0.00 C ATOM 434 CG MET A 28 11.983 29.772 28.259 1.00 0.00 C ATOM 435 SD MET A 28 13.614 30.429 28.644 1.00 0.00 S ATOM 436 CE MET A 28 14.618 29.593 27.407 1.00 0.00 C ATOM 0 H MET A 28 10.728 30.891 25.273 1.00 0.00 H new ATOM 0 HA MET A 28 9.420 29.453 27.516 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.454 31.720 27.512 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.550 31.230 28.932 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.638 29.156 29.089 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.053 29.122 27.387 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.659 29.898 27.517 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.539 28.514 27.543 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.265 29.860 26.411 1.00 0.00 H new ATOM 446 N ALA A 29 7.573 31.079 27.593 1.00 0.00 N ATOM 447 CA ALA A 29 6.429 31.984 27.604 1.00 0.00 C ATOM 448 C ALA A 29 6.086 32.389 29.032 1.00 0.00 C ATOM 449 O ALA A 29 6.069 33.573 29.366 1.00 0.00 O ATOM 450 CB ALA A 29 5.230 31.298 26.959 1.00 0.00 C ATOM 0 H ALA A 29 7.403 30.182 28.049 1.00 0.00 H new ATOM 0 HA ALA A 29 6.683 32.881 27.039 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.376 31.975 26.968 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.473 31.033 25.930 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.983 30.395 27.518 1.00 0.00 H new ATOM 456 N GLU A 30 5.813 31.394 29.869 1.00 0.00 N ATOM 457 CA GLU A 30 5.468 31.636 31.266 1.00 0.00 C ATOM 458 C GLU A 30 5.550 30.338 32.059 1.00 0.00 C ATOM 459 O GLU A 30 5.832 29.278 31.500 1.00 0.00 O ATOM 460 CB GLU A 30 4.060 32.215 31.361 1.00 0.00 C ATOM 461 CG GLU A 30 4.021 33.428 32.286 1.00 0.00 C ATOM 462 CD GLU A 30 3.306 34.588 31.604 1.00 0.00 C ATOM 463 OE1 GLU A 30 3.909 35.214 30.707 1.00 0.00 O ATOM 464 OE2 GLU A 30 2.145 34.869 31.969 1.00 0.00 O ATOM 0 H GLU A 30 5.824 30.409 29.604 1.00 0.00 H new ATOM 0 HA GLU A 30 6.176 32.351 31.685 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.714 32.501 30.368 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.375 31.452 31.729 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.509 33.171 33.213 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.036 33.723 32.553 1.00 0.00 H new ATOM 471 N VAL A 31 5.305 30.425 33.364 1.00 0.00 N ATOM 472 CA VAL A 31 5.355 29.249 34.233 1.00 0.00 C ATOM 473 C VAL A 31 5.226 29.667 35.696 1.00 0.00 C ATOM 474 O VAL A 31 5.822 30.653 36.131 1.00 0.00 O ATOM 475 CB VAL A 31 6.658 28.455 33.981 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.825 29.396 33.696 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.005 27.521 35.146 1.00 0.00 C ATOM 0 H VAL A 31 5.070 31.294 33.843 1.00 0.00 H new ATOM 0 HA VAL A 31 4.515 28.595 34.000 1.00 0.00 H new ATOM 0 HB VAL A 31 6.481 27.834 33.103 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.729 28.812 33.522 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.603 29.993 32.812 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.978 30.056 34.550 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.928 26.986 34.921 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.138 28.107 36.055 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.196 26.805 35.291 1.00 0.00 H new ATOM 487 N GLU A 32 4.438 28.901 36.444 1.00 0.00 N ATOM 488 CA GLU A 32 4.212 29.170 37.858 1.00 0.00 C ATOM 489 C GLU A 32 4.473 27.911 38.679 1.00 0.00 C ATOM 490 O GLU A 32 4.526 26.807 38.137 1.00 0.00 O ATOM 491 CB GLU A 32 2.779 29.652 38.065 1.00 0.00 C ATOM 492 CG GLU A 32 1.769 28.538 37.795 1.00 0.00 C ATOM 493 CD GLU A 32 0.590 29.077 36.995 1.00 0.00 C ATOM 494 OE1 GLU A 32 -0.096 29.995 37.491 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.356 28.581 35.873 1.00 0.00 O ATOM 0 H GLU A 32 3.942 28.083 36.090 1.00 0.00 H new ATOM 0 HA GLU A 32 4.899 29.948 38.191 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.659 30.013 39.086 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.578 30.495 37.403 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.249 27.727 37.247 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.417 28.120 38.738 1.00 0.00 H new ATOM 502 N LEU A 33 4.644 28.081 39.987 1.00 0.00 N ATOM 503 CA LEU A 33 4.910 26.955 40.876 1.00 0.00 C ATOM 504 C LEU A 33 3.710 26.671 41.772 1.00 0.00 C ATOM 505 O LEU A 33 2.820 27.507 41.925 1.00 0.00 O ATOM 506 CB LEU A 33 6.133 27.258 41.738 1.00 0.00 C ATOM 507 CG LEU A 33 7.302 26.352 41.375 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.566 26.788 42.111 1.00 0.00 C ATOM 509 CD2 LEU A 33 6.974 24.896 41.694 1.00 0.00 C ATOM 0 H LEU A 33 4.603 28.987 40.454 1.00 0.00 H new ATOM 0 HA LEU A 33 5.100 26.073 40.265 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.424 28.300 41.608 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.881 27.127 42.790 1.00 0.00 H new ATOM 0 HG LEU A 33 7.480 26.437 40.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.391 26.129 41.839 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.813 27.813 41.834 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.398 26.734 43.187 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.822 24.265 41.427 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.767 24.795 42.759 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.098 24.587 41.123 1.00 0.00 H new ATOM 521 N ARG A 34 3.704 25.483 42.369 1.00 0.00 N ATOM 522 CA ARG A 34 2.630 25.071 43.267 1.00 0.00 C ATOM 523 C ARG A 34 3.215 24.323 44.457 1.00 0.00 C ATOM 524 O ARG A 34 4.416 24.399 44.717 1.00 0.00 O ATOM 525 CB ARG A 34 1.638 24.175 42.528 1.00 0.00 C ATOM 526 CG ARG A 34 0.201 24.633 42.758 1.00 0.00 C ATOM 527 CD ARG A 34 -0.780 23.471 42.616 1.00 0.00 C ATOM 528 NE ARG A 34 -1.002 22.832 43.909 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.877 21.843 44.058 1.00 0.00 C ATOM 530 NH1 ARG A 34 -3.178 22.083 43.956 1.00 0.00 N ATOM 531 NH2 ARG A 34 -1.454 20.612 44.310 1.00 0.00 N ATOM 0 H ARG A 34 4.437 24.784 42.246 1.00 0.00 H new ATOM 0 HA ARG A 34 2.105 25.958 43.621 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.859 24.186 41.461 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.753 23.145 42.866 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.111 25.069 43.753 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.053 25.416 42.043 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.727 23.833 42.215 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.390 22.742 41.905 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.472 23.153 44.719 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.509 23.028 43.763 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.848 21.322 44.071 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.455 20.422 44.390 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.128 19.855 44.424 1.00 0.00 H new ATOM 545 N GLU A 35 2.367 23.598 45.176 1.00 0.00 N ATOM 546 CA GLU A 35 2.811 22.833 46.337 1.00 0.00 C ATOM 547 C GLU A 35 1.888 21.642 46.571 1.00 0.00 C ATOM 548 O GLU A 35 2.147 20.543 46.082 1.00 0.00 O ATOM 549 CB GLU A 35 2.848 23.731 47.572 1.00 0.00 C ATOM 550 CG GLU A 35 4.080 24.630 47.566 1.00 0.00 C ATOM 551 CD GLU A 35 4.102 25.506 48.812 1.00 0.00 C ATOM 552 OE1 GLU A 35 3.517 26.609 48.774 1.00 0.00 O ATOM 553 OE2 GLU A 35 4.704 25.088 49.823 1.00 0.00 O ATOM 0 H GLU A 35 1.369 23.523 44.977 1.00 0.00 H new ATOM 0 HA GLU A 35 3.816 22.457 46.148 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.948 24.344 47.605 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.848 23.116 48.472 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.983 24.021 47.526 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.078 25.256 46.673 1.00 0.00 H new ATOM 560 N HIS A 36 0.812 21.859 47.323 1.00 0.00 N ATOM 561 CA HIS A 36 -0.138 20.802 47.618 1.00 0.00 C ATOM 562 C HIS A 36 -1.275 21.329 48.477 1.00 0.00 C ATOM 563 O HIS A 36 -2.447 21.073 48.199 1.00 0.00 O ATOM 564 CB HIS A 36 0.572 19.674 48.342 1.00 0.00 C ATOM 565 CG HIS A 36 1.175 20.098 49.644 1.00 0.00 C ATOM 566 ND1 HIS A 36 2.306 20.869 49.736 1.00 0.00 N ATOM 567 CD2 HIS A 36 0.810 19.859 50.930 1.00 0.00 C ATOM 568 CE1 HIS A 36 2.622 21.094 50.990 1.00 0.00 C ATOM 569 NE2 HIS A 36 1.726 20.489 51.753 1.00 0.00 N ATOM 0 H HIS A 36 0.580 22.761 47.738 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.556 20.432 46.681 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.135 18.865 48.523 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.356 19.274 47.699 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.043 19.280 51.253 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.466 21.672 51.338 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.713 20.487 52.773 1.00 0.00 H new ATOM 577 N GLY A 37 -0.924 22.064 49.525 1.00 0.00 N ATOM 578 CA GLY A 37 -1.920 22.622 50.426 1.00 0.00 C ATOM 579 C GLY A 37 -1.988 24.139 50.283 1.00 0.00 C ATOM 580 O GLY A 37 -2.410 24.839 51.203 1.00 0.00 O ATOM 0 H GLY A 37 0.041 22.286 49.770 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.896 22.188 50.211 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.674 22.360 51.455 1.00 0.00 H new ATOM 584 N SER A 38 -1.567 24.643 49.126 1.00 0.00 N ATOM 585 CA SER A 38 -1.576 26.079 48.864 1.00 0.00 C ATOM 586 C SER A 38 -2.933 26.537 48.328 1.00 0.00 C ATOM 587 O SER A 38 -3.168 27.736 48.179 1.00 0.00 O ATOM 588 CB SER A 38 -0.480 26.430 47.862 1.00 0.00 C ATOM 589 OG SER A 38 -0.068 27.778 48.027 1.00 0.00 O ATOM 0 H SER A 38 -1.215 24.077 48.354 1.00 0.00 H new ATOM 0 HA SER A 38 -1.391 26.596 49.806 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.372 25.764 47.998 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.845 26.277 46.846 1.00 0.00 H new ATOM 0 HG SER A 38 0.636 27.987 47.378 1.00 0.00 H new ATOM 595 N ASP A 39 -3.826 25.583 48.037 1.00 0.00 N ATOM 596 CA ASP A 39 -5.164 25.889 47.517 1.00 0.00 C ATOM 597 C ASP A 39 -5.122 26.122 46.010 1.00 0.00 C ATOM 598 O ASP A 39 -5.890 25.517 45.262 1.00 0.00 O ATOM 599 CB ASP A 39 -5.756 27.114 48.217 1.00 0.00 C ATOM 600 CG ASP A 39 -7.222 26.873 48.552 1.00 0.00 C ATOM 601 OD1 ASP A 39 -8.027 26.704 47.613 1.00 0.00 O ATOM 602 OD2 ASP A 39 -7.562 26.852 49.754 1.00 0.00 O ATOM 0 H ASP A 39 -3.644 24.586 48.154 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.802 25.029 47.720 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.197 27.326 49.129 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.662 27.990 47.575 1.00 0.00 H new ATOM 607 N GLU A 40 -4.229 27.001 45.566 1.00 0.00 N ATOM 608 CA GLU A 40 -4.104 27.306 44.143 1.00 0.00 C ATOM 609 C GLU A 40 -2.644 27.513 43.758 1.00 0.00 C ATOM 610 O GLU A 40 -1.752 27.455 44.605 1.00 0.00 O ATOM 611 CB GLU A 40 -4.912 28.556 43.808 1.00 0.00 C ATOM 612 CG GLU A 40 -6.341 28.199 43.407 1.00 0.00 C ATOM 613 CD GLU A 40 -7.260 29.398 43.604 1.00 0.00 C ATOM 614 OE1 GLU A 40 -6.852 30.353 44.298 1.00 0.00 O ATOM 615 OE2 GLU A 40 -8.386 29.379 43.064 1.00 0.00 O ATOM 0 H GLU A 40 -3.583 27.513 46.167 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.492 26.461 43.575 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.929 29.223 44.670 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.428 29.098 42.995 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.365 27.881 42.365 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.695 27.359 44.005 1.00 0.00 H new ATOM 622 N TRP A 41 -2.410 27.754 42.471 1.00 0.00 N ATOM 623 CA TRP A 41 -1.061 27.971 41.955 1.00 0.00 C ATOM 624 C TRP A 41 -0.596 29.389 42.261 1.00 0.00 C ATOM 625 O TRP A 41 -1.395 30.248 42.633 1.00 0.00 O ATOM 626 CB TRP A 41 -1.040 27.736 40.448 1.00 0.00 C ATOM 627 CG TRP A 41 -1.384 26.327 40.075 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.624 25.751 40.099 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.472 25.308 39.616 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.514 24.452 39.685 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.223 24.149 39.383 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.903 25.267 39.382 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.643 22.975 38.930 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.491 24.095 38.928 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.725 22.959 38.703 1.00 0.00 C ATOM 0 H TRP A 41 -3.142 27.804 41.762 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.384 27.268 42.441 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.745 28.416 39.969 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.050 27.978 40.061 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.539 26.241 40.396 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.294 23.799 39.613 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.508 26.145 39.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.242 22.093 38.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.555 24.066 38.748 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.198 22.055 38.348 1.00 0.00 H new ATOM 646 N VAL A 42 0.702 29.630 42.096 1.00 0.00 N ATOM 647 CA VAL A 42 1.277 30.948 42.349 1.00 0.00 C ATOM 648 C VAL A 42 2.346 31.265 41.310 1.00 0.00 C ATOM 649 O VAL A 42 3.345 30.555 41.198 1.00 0.00 O ATOM 650 CB VAL A 42 1.883 30.997 43.749 1.00 0.00 C ATOM 651 CG1 VAL A 42 0.791 30.902 44.812 1.00 0.00 C ATOM 652 CG2 VAL A 42 2.905 29.878 43.931 1.00 0.00 C ATOM 0 H VAL A 42 1.376 28.929 41.788 1.00 0.00 H new ATOM 0 HA VAL A 42 0.485 31.693 42.279 1.00 0.00 H new ATOM 0 HB VAL A 42 2.394 31.953 43.867 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.244 30.939 45.803 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.099 31.736 44.698 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.250 29.963 44.695 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.326 29.929 44.935 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.417 28.913 43.791 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.703 29.991 43.197 1.00 0.00 H new ATOM 662 N ALA A 43 2.128 32.334 40.551 1.00 0.00 N ATOM 663 CA ALA A 43 3.071 32.748 39.517 1.00 0.00 C ATOM 664 C ALA A 43 4.483 32.833 40.083 1.00 0.00 C ATOM 665 O ALA A 43 4.698 33.395 41.157 1.00 0.00 O ATOM 666 CB ALA A 43 2.658 34.103 38.948 1.00 0.00 C ATOM 0 H ALA A 43 1.305 32.931 40.633 1.00 0.00 H new ATOM 0 HA ALA A 43 3.060 32.005 38.720 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.367 34.405 38.177 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.661 34.027 38.515 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.651 34.846 39.746 1.00 0.00 H new ATOM 672 N MET A 44 5.444 32.273 39.354 1.00 0.00 N ATOM 673 CA MET A 44 6.837 32.286 39.782 1.00 0.00 C ATOM 674 C MET A 44 7.358 33.714 39.862 1.00 0.00 C ATOM 675 O MET A 44 6.594 34.672 39.747 1.00 0.00 O ATOM 676 CB MET A 44 7.683 31.478 38.806 1.00 0.00 C ATOM 677 CG MET A 44 7.980 30.090 39.357 1.00 0.00 C ATOM 678 SD MET A 44 9.645 29.958 40.027 1.00 0.00 S ATOM 679 CE MET A 44 10.114 28.316 39.457 1.00 0.00 C ATOM 0 H MET A 44 5.282 31.804 38.463 1.00 0.00 H new ATOM 0 HA MET A 44 6.903 31.838 40.773 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.161 31.390 37.853 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.618 32.003 38.610 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.258 29.850 40.137 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.851 29.353 38.565 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.155 28.124 39.717 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.477 27.570 39.933 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.994 28.258 38.375 1.00 0.00 H new ATOM 689 N THR A 45 8.665 33.851 40.061 1.00 0.00 N ATOM 690 CA THR A 45 9.292 35.165 40.159 1.00 0.00 C ATOM 691 C THR A 45 10.692 35.136 39.560 1.00 0.00 C ATOM 692 O THR A 45 11.645 34.701 40.207 1.00 0.00 O ATOM 693 CB THR A 45 9.366 35.597 41.619 1.00 0.00 C ATOM 694 OG1 THR A 45 8.068 35.590 42.194 1.00 0.00 O ATOM 695 CG2 THR A 45 9.987 36.985 41.741 1.00 0.00 C ATOM 0 H THR A 45 9.311 33.068 40.158 1.00 0.00 H new ATOM 0 HA THR A 45 8.688 35.880 39.600 1.00 0.00 H new ATOM 0 HB THR A 45 9.998 34.890 42.157 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.124 35.867 43.132 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.030 37.273 42.791 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.995 36.970 41.327 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.380 37.705 41.192 1.00 0.00 H new ATOM 703 N LYS A 46 10.812 35.604 38.323 1.00 0.00 N ATOM 704 CA LYS A 46 12.101 35.633 37.639 1.00 0.00 C ATOM 705 C LYS A 46 13.085 36.513 38.400 1.00 0.00 C ATOM 706 O LYS A 46 13.125 37.728 38.211 1.00 0.00 O ATOM 707 CB LYS A 46 11.930 36.147 36.210 1.00 0.00 C ATOM 708 CG LYS A 46 11.273 37.526 36.179 1.00 0.00 C ATOM 709 CD LYS A 46 10.712 37.836 34.794 1.00 0.00 C ATOM 710 CE LYS A 46 11.634 38.777 34.023 1.00 0.00 C ATOM 711 NZ LYS A 46 10.856 39.749 33.205 1.00 0.00 N ATOM 0 H LYS A 46 10.034 35.968 37.773 1.00 0.00 H new ATOM 0 HA LYS A 46 12.497 34.618 37.602 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.904 36.197 35.723 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.324 35.443 35.640 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.472 37.567 36.917 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.003 38.286 36.458 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.584 36.909 34.235 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.725 38.288 34.891 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.273 39.317 34.722 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.290 38.196 33.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.511 40.374 32.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.265 39.233 32.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.249 40.319 33.828 1.00 0.00 H new ATOM 725 N GLY A 47 13.883 35.891 39.261 1.00 0.00 N ATOM 726 CA GLY A 47 14.873 36.617 40.051 1.00 0.00 C ATOM 727 C GLY A 47 16.234 35.929 39.997 1.00 0.00 C ATOM 728 O GLY A 47 17.118 36.226 40.801 1.00 0.00 O ATOM 0 H GLY A 47 13.864 34.885 39.430 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.963 37.637 39.678 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.538 36.685 41.086 1.00 0.00 H new ATOM 732 N GLU A 48 16.403 35.009 39.048 1.00 0.00 N ATOM 733 CA GLU A 48 17.660 34.287 38.899 1.00 0.00 C ATOM 734 C GLU A 48 18.472 34.838 37.728 1.00 0.00 C ATOM 735 O GLU A 48 19.658 34.538 37.596 1.00 0.00 O ATOM 736 CB GLU A 48 17.378 32.804 38.679 1.00 0.00 C ATOM 737 CG GLU A 48 17.793 31.977 39.892 1.00 0.00 C ATOM 738 CD GLU A 48 19.286 31.678 39.839 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.085 32.572 40.190 1.00 0.00 O ATOM 740 OE2 GLU A 48 19.655 30.551 39.446 1.00 0.00 O ATOM 0 H GLU A 48 15.684 34.748 38.373 1.00 0.00 H new ATOM 0 HA GLU A 48 18.242 34.418 39.811 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.316 32.658 38.483 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.916 32.456 37.797 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.555 32.517 40.808 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.229 31.045 39.916 1.00 0.00 H new ATOM 747 N GLY A 49 17.832 35.637 36.875 1.00 0.00 N ATOM 748 CA GLY A 49 18.508 36.212 35.718 1.00 0.00 C ATOM 749 C GLY A 49 18.902 35.118 34.735 1.00 0.00 C ATOM 750 O GLY A 49 19.852 35.269 33.968 1.00 0.00 O ATOM 0 H GLY A 49 16.850 35.899 36.965 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.853 36.932 35.227 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.395 36.756 36.041 1.00 0.00 H new ATOM 754 N GLY A 50 18.162 34.013 34.764 1.00 0.00 N ATOM 755 CA GLY A 50 18.428 32.884 33.879 1.00 0.00 C ATOM 756 C GLY A 50 17.352 31.817 34.036 1.00 0.00 C ATOM 757 O GLY A 50 16.918 31.210 33.057 1.00 0.00 O ATOM 0 H GLY A 50 17.371 33.876 35.393 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.461 33.226 32.844 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.406 32.459 34.106 1.00 0.00 H new ATOM 761 N VAL A 51 16.923 31.595 35.275 1.00 0.00 N ATOM 762 CA VAL A 51 15.893 30.602 35.566 1.00 0.00 C ATOM 763 C VAL A 51 14.840 31.188 36.495 1.00 0.00 C ATOM 764 O VAL A 51 14.893 32.366 36.848 1.00 0.00 O ATOM 765 CB VAL A 51 16.516 29.366 36.205 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.185 28.499 35.143 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.519 29.769 37.282 1.00 0.00 C ATOM 0 H VAL A 51 17.273 32.090 36.095 1.00 0.00 H new ATOM 0 HA VAL A 51 15.417 30.315 34.629 1.00 0.00 H new ATOM 0 HB VAL A 51 15.725 28.783 36.676 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.625 27.620 35.615 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.442 28.184 34.410 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.966 29.073 34.644 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.954 28.874 37.727 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.309 30.373 36.836 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.012 30.348 38.053 1.00 0.00 H new ATOM 777 N TRP A 52 13.878 30.358 36.880 1.00 0.00 N ATOM 778 CA TRP A 52 12.798 30.786 37.762 1.00 0.00 C ATOM 779 C TRP A 52 13.053 30.317 39.188 1.00 0.00 C ATOM 780 O TRP A 52 13.544 29.210 39.410 1.00 0.00 O ATOM 781 CB TRP A 52 11.478 30.223 37.246 1.00 0.00 C ATOM 782 CG TRP A 52 11.367 30.332 35.758 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.960 29.358 34.893 1.00 0.00 C ATOM 784 CD2 TRP A 52 11.691 31.483 34.952 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.000 29.855 33.619 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.441 31.143 33.617 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.162 32.767 35.233 1.00 0.00 C ATOM 788 CZ2 TRP A 52 11.646 32.037 32.579 1.00 0.00 C ATOM 789 CZ3 TRP A 52 12.370 33.667 34.197 1.00 0.00 C ATOM 790 CH2 TRP A 52 12.113 33.304 32.882 1.00 0.00 C ATOM 0 H TRP A 52 13.824 29.380 36.594 1.00 0.00 H new ATOM 0 HA TRP A 52 12.751 31.875 37.769 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.390 29.177 37.541 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.649 30.756 37.712 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.656 28.359 35.169 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.735 29.332 32.784 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.364 33.059 36.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.446 31.752 31.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.735 34.659 34.416 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.279 34.017 32.088 1.00 0.00 H new ATOM 801 N THR A 53 12.720 31.169 40.154 1.00 0.00 N ATOM 802 CA THR A 53 12.917 30.846 41.563 1.00 0.00 C ATOM 803 C THR A 53 11.673 31.197 42.369 1.00 0.00 C ATOM 804 O THR A 53 10.964 32.152 42.052 1.00 0.00 O ATOM 805 CB THR A 53 14.119 31.612 42.106 1.00 0.00 C ATOM 806 OG1 THR A 53 14.306 32.809 41.366 1.00 0.00 O ATOM 807 CG2 THR A 53 15.381 30.757 42.043 1.00 0.00 C ATOM 0 H THR A 53 12.312 32.089 39.986 1.00 0.00 H new ATOM 0 HA THR A 53 13.101 29.775 41.654 1.00 0.00 H new ATOM 0 HB THR A 53 13.925 31.861 43.149 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.078 33.296 41.722 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.225 31.324 42.435 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.240 29.856 42.640 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.581 30.479 41.008 1.00 0.00 H new ATOM 815 N PHE A 54 11.413 30.419 43.415 1.00 0.00 N ATOM 816 CA PHE A 54 10.253 30.646 44.270 1.00 0.00 C ATOM 817 C PHE A 54 10.665 30.642 45.736 1.00 0.00 C ATOM 818 O PHE A 54 11.061 29.611 46.278 1.00 0.00 O ATOM 819 CB PHE A 54 9.203 29.566 44.022 1.00 0.00 C ATOM 820 CG PHE A 54 8.010 29.688 44.936 1.00 0.00 C ATOM 821 CD1 PHE A 54 6.954 30.515 44.590 1.00 0.00 C ATOM 822 CD2 PHE A 54 7.969 28.974 46.122 1.00 0.00 C ATOM 823 CE1 PHE A 54 5.859 30.628 45.429 1.00 0.00 C ATOM 824 CE2 PHE A 54 6.874 29.087 46.961 1.00 0.00 C ATOM 825 CZ PHE A 54 5.819 29.914 46.615 1.00 0.00 C ATOM 0 H PHE A 54 11.991 29.625 43.691 1.00 0.00 H new ATOM 0 HA PHE A 54 9.828 31.620 44.029 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.868 29.623 42.986 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.659 28.585 44.157 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.985 31.072 43.665 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.792 28.329 46.392 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.036 31.273 45.159 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.843 28.530 47.886 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.965 30.002 47.270 1.00 0.00 H new ATOM 835 N ASP A 55 10.568 31.804 46.374 1.00 0.00 N ATOM 836 CA ASP A 55 10.931 31.938 47.780 1.00 0.00 C ATOM 837 C ASP A 55 9.900 31.247 48.663 1.00 0.00 C ATOM 838 O ASP A 55 8.780 30.973 48.230 1.00 0.00 O ATOM 839 CB ASP A 55 11.026 33.414 48.155 1.00 0.00 C ATOM 840 CG ASP A 55 12.382 33.976 47.749 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.918 33.543 46.707 1.00 0.00 O ATOM 842 OD2 ASP A 55 12.905 34.849 48.473 1.00 0.00 O ATOM 0 H ASP A 55 10.241 32.667 45.939 1.00 0.00 H new ATOM 0 HA ASP A 55 11.900 31.465 47.936 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.231 33.973 47.662 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.882 33.533 49.229 1.00 0.00 H new ATOM 847 N SER A 56 10.284 30.969 49.904 1.00 0.00 N ATOM 848 CA SER A 56 9.395 30.312 50.856 1.00 0.00 C ATOM 849 C SER A 56 9.670 30.819 52.265 1.00 0.00 C ATOM 850 O SER A 56 10.644 31.535 52.497 1.00 0.00 O ATOM 851 CB SER A 56 9.594 28.800 50.797 1.00 0.00 C ATOM 852 OG SER A 56 8.442 28.167 50.263 1.00 0.00 O ATOM 0 H SER A 56 11.208 31.189 50.275 1.00 0.00 H new ATOM 0 HA SER A 56 8.363 30.544 50.593 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.463 28.565 50.182 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.797 28.415 51.796 1.00 0.00 H new ATOM 0 HG SER A 56 8.694 27.303 49.874 1.00 0.00 H new ATOM 858 N GLU A 57 8.807 30.446 53.205 1.00 0.00 N ATOM 859 CA GLU A 57 8.962 30.868 54.593 1.00 0.00 C ATOM 860 C GLU A 57 8.475 29.778 55.540 1.00 0.00 C ATOM 861 O GLU A 57 9.178 29.399 56.477 1.00 0.00 O ATOM 862 CB GLU A 57 8.183 32.157 54.837 1.00 0.00 C ATOM 863 CG GLU A 57 9.123 33.324 55.125 1.00 0.00 C ATOM 864 CD GLU A 57 8.457 34.316 56.070 1.00 0.00 C ATOM 865 OE1 GLU A 57 7.466 34.956 55.660 1.00 0.00 O ATOM 866 OE2 GLU A 57 8.928 34.452 57.219 1.00 0.00 O ATOM 0 H GLU A 57 7.995 29.854 53.032 1.00 0.00 H new ATOM 0 HA GLU A 57 10.020 31.048 54.785 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.571 32.386 53.964 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.502 32.020 55.677 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.048 32.954 55.567 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.392 33.822 54.194 1.00 0.00 H new ATOM 873 N GLU A 58 7.269 29.278 55.292 1.00 0.00 N ATOM 874 CA GLU A 58 6.689 28.231 56.126 1.00 0.00 C ATOM 875 C GLU A 58 7.627 27.029 56.202 1.00 0.00 C ATOM 876 O GLU A 58 8.417 26.789 55.289 1.00 0.00 O ATOM 877 CB GLU A 58 5.331 27.807 55.565 1.00 0.00 C ATOM 878 CG GLU A 58 5.478 27.042 54.250 1.00 0.00 C ATOM 879 CD GLU A 58 4.582 27.652 53.180 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.376 28.883 53.206 1.00 0.00 O ATOM 881 OE2 GLU A 58 4.087 26.896 52.316 1.00 0.00 O ATOM 0 H GLU A 58 6.674 29.581 54.521 1.00 0.00 H new ATOM 0 HA GLU A 58 6.548 28.624 57.133 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.815 27.182 56.294 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.711 28.689 55.406 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.517 27.067 53.921 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.216 25.995 54.400 1.00 0.00 H new ATOM 888 N PRO A 59 7.549 26.255 57.297 1.00 0.00 N ATOM 889 CA PRO A 59 8.394 25.067 57.491 1.00 0.00 C ATOM 890 C PRO A 59 7.987 23.918 56.578 1.00 0.00 C ATOM 891 O PRO A 59 8.823 23.328 55.893 1.00 0.00 O ATOM 892 CB PRO A 59 8.173 24.697 58.951 1.00 0.00 C ATOM 893 CG PRO A 59 6.836 25.254 59.302 1.00 0.00 C ATOM 894 CD PRO A 59 6.634 26.468 58.432 1.00 0.00 C ATOM 0 HA PRO A 59 9.438 25.268 57.250 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.197 23.616 59.090 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.953 25.118 59.585 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.052 24.518 59.128 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.793 25.522 60.358 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.599 26.552 58.099 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.872 27.387 58.968 1.00 0.00 H new ATOM 902 N LEU A 60 6.696 23.605 56.576 1.00 0.00 N ATOM 903 CA LEU A 60 6.165 22.524 55.752 1.00 0.00 C ATOM 904 C LEU A 60 6.477 22.766 54.280 1.00 0.00 C ATOM 905 O LEU A 60 6.240 23.855 53.757 1.00 0.00 O ATOM 906 CB LEU A 60 4.659 22.417 55.957 1.00 0.00 C ATOM 907 CG LEU A 60 4.310 22.363 57.441 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.241 23.398 57.779 1.00 0.00 C ATOM 909 CD2 LEU A 60 3.843 20.963 57.831 1.00 0.00 C ATOM 0 H LEU A 60 5.995 24.087 57.138 1.00 0.00 H new ATOM 0 HA LEU A 60 6.638 21.589 56.053 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.164 23.271 55.495 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.284 21.523 55.459 1.00 0.00 H new ATOM 0 HG LEU A 60 5.208 22.598 58.013 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.005 23.344 58.842 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.611 24.395 57.540 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.342 23.195 57.197 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.598 20.944 58.893 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.959 20.699 57.250 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.638 20.245 57.629 1.00 0.00 H new ATOM 921 N GLN A 61 7.007 21.743 53.618 1.00 0.00 N ATOM 922 CA GLN A 61 7.353 21.838 52.203 1.00 0.00 C ATOM 923 C GLN A 61 8.053 20.565 51.744 1.00 0.00 C ATOM 924 O GLN A 61 8.590 19.814 52.558 1.00 0.00 O ATOM 925 CB GLN A 61 8.259 23.044 51.970 1.00 0.00 C ATOM 926 CG GLN A 61 7.823 23.836 50.741 1.00 0.00 C ATOM 927 CD GLN A 61 8.247 25.293 50.876 1.00 0.00 C ATOM 928 OE1 GLN A 61 9.298 25.692 50.376 1.00 0.00 O ATOM 929 NE2 GLN A 61 7.427 26.088 51.554 1.00 0.00 N ATOM 0 H GLN A 61 7.207 20.836 54.039 1.00 0.00 H new ATOM 0 HA GLN A 61 6.437 21.962 51.625 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.240 23.691 52.847 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.288 22.709 51.843 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.266 23.403 49.844 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.741 23.774 50.624 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.566 25.713 51.951 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.659 27.074 51.677 1.00 0.00 H new ATOM 938 N GLY A 62 8.044 20.326 50.436 1.00 0.00 N ATOM 939 CA GLY A 62 8.680 19.140 49.871 1.00 0.00 C ATOM 940 C GLY A 62 8.582 19.144 48.348 1.00 0.00 C ATOM 941 O GLY A 62 9.362 19.816 47.672 1.00 0.00 O ATOM 0 H GLY A 62 7.604 20.937 49.748 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.727 19.105 50.172 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.204 18.243 50.268 1.00 0.00 H new ATOM 945 N PRO A 63 7.620 18.391 47.787 1.00 0.00 N ATOM 946 CA PRO A 63 7.425 18.311 46.331 1.00 0.00 C ATOM 947 C PRO A 63 6.761 19.563 45.771 1.00 0.00 C ATOM 948 O PRO A 63 6.091 20.299 46.495 1.00 0.00 O ATOM 949 CB PRO A 63 6.527 17.096 46.146 1.00 0.00 C ATOM 950 CG PRO A 63 5.789 16.945 47.436 1.00 0.00 C ATOM 951 CD PRO A 63 6.648 17.559 48.517 1.00 0.00 C ATOM 0 HA PRO A 63 8.373 18.228 45.800 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.838 17.241 45.314 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.114 16.205 45.923 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.820 17.442 47.386 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.597 15.893 47.648 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.052 18.157 49.206 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.147 16.793 49.110 1.00 0.00 H new ATOM 959 N PHE A 64 6.954 19.801 44.477 1.00 0.00 N ATOM 960 CA PHE A 64 6.375 20.968 43.820 1.00 0.00 C ATOM 961 C PHE A 64 5.530 20.553 42.626 1.00 0.00 C ATOM 962 O PHE A 64 5.370 19.365 42.342 1.00 0.00 O ATOM 963 CB PHE A 64 7.483 21.907 43.355 1.00 0.00 C ATOM 964 CG PHE A 64 8.241 22.538 44.493 1.00 0.00 C ATOM 965 CD1 PHE A 64 7.628 23.489 45.290 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.553 22.168 44.741 1.00 0.00 C ATOM 967 CE1 PHE A 64 8.325 24.072 46.334 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.250 22.749 45.786 1.00 0.00 C ATOM 969 CZ PHE A 64 9.637 23.702 46.583 1.00 0.00 C ATOM 0 H PHE A 64 7.506 19.202 43.863 1.00 0.00 H new ATOM 0 HA PHE A 64 5.737 21.482 44.539 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.180 21.353 42.726 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.049 22.692 42.736 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.605 23.776 45.097 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.032 21.426 44.119 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.846 24.815 46.954 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.272 22.459 45.980 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.181 24.156 47.398 1.00 0.00 H new ATOM 979 N ASN A 65 4.994 21.548 41.928 1.00 0.00 N ATOM 980 CA ASN A 65 4.162 21.312 40.754 1.00 0.00 C ATOM 981 C ASN A 65 4.242 22.513 39.820 1.00 0.00 C ATOM 982 O ASN A 65 4.085 23.655 40.251 1.00 0.00 O ATOM 983 CB ASN A 65 2.711 21.075 41.171 1.00 0.00 C ATOM 984 CG ASN A 65 2.642 20.183 42.406 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.439 18.974 42.300 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.813 20.782 43.579 1.00 0.00 N ATOM 0 H ASN A 65 5.122 22.534 42.158 1.00 0.00 H new ATOM 0 HA ASN A 65 4.526 20.425 40.235 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.227 22.029 41.378 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.163 20.611 40.351 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.779 20.236 44.440 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.979 21.788 43.619 1.00 0.00 H new ATOM 993 N PHE A 66 4.497 22.254 38.542 1.00 0.00 N ATOM 994 CA PHE A 66 4.606 23.326 37.557 1.00 0.00 C ATOM 995 C PHE A 66 3.476 23.244 36.540 1.00 0.00 C ATOM 996 O PHE A 66 2.634 22.348 36.595 1.00 0.00 O ATOM 997 CB PHE A 66 5.948 23.239 36.837 1.00 0.00 C ATOM 998 CG PHE A 66 7.116 23.640 37.703 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.764 22.691 38.475 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.550 24.956 37.717 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.843 23.056 39.263 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.630 25.321 38.502 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.276 24.371 39.276 1.00 0.00 C ATOM 0 H PHE A 66 4.632 21.316 38.164 1.00 0.00 H new ATOM 0 HA PHE A 66 4.535 24.279 38.082 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.099 22.218 36.486 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.922 23.879 35.955 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.428 21.665 38.463 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.045 25.697 37.115 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.346 22.315 39.867 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.969 26.346 38.511 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.118 24.656 39.890 1.00 0.00 H new ATOM 1013 N ARG A 67 3.472 24.191 35.609 1.00 0.00 N ATOM 1014 CA ARG A 67 2.458 24.250 34.562 1.00 0.00 C ATOM 1015 C ARG A 67 2.771 25.396 33.610 1.00 0.00 C ATOM 1016 O ARG A 67 1.971 26.317 33.446 1.00 0.00 O ATOM 1017 CB ARG A 67 1.079 24.449 35.182 1.00 0.00 C ATOM 1018 CG ARG A 67 1.057 25.668 36.099 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.343 25.918 36.652 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.267 26.230 35.568 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.571 26.375 35.781 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.004 27.230 36.697 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.443 25.665 35.078 1.00 0.00 N ATOM 0 H ARG A 67 4.167 24.936 35.558 1.00 0.00 H new ATOM 0 HA ARG A 67 2.462 23.312 34.007 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.337 24.571 34.393 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.800 23.560 35.748 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.755 25.519 36.923 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.396 26.546 35.549 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.690 25.038 37.193 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.318 26.741 37.366 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.903 26.340 34.621 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.336 27.778 37.240 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.005 27.340 36.859 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.113 25.006 34.372 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.443 25.778 35.243 1.00 0.00 H new ATOM 1037 N PHE A 68 3.949 25.340 32.996 1.00 0.00 N ATOM 1038 CA PHE A 68 4.382 26.382 32.071 1.00 0.00 C ATOM 1039 C PHE A 68 3.366 26.601 30.965 1.00 0.00 C ATOM 1040 O PHE A 68 2.339 25.926 30.895 1.00 0.00 O ATOM 1041 CB PHE A 68 5.738 26.032 31.458 1.00 0.00 C ATOM 1042 CG PHE A 68 5.791 24.679 30.766 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.654 23.884 30.645 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.995 24.229 30.246 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.729 22.655 30.010 1.00 0.00 C ATOM 1046 CE2 PHE A 68 7.066 22.999 29.612 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.934 22.213 29.494 1.00 0.00 C ATOM 0 H PHE A 68 4.621 24.583 33.122 1.00 0.00 H new ATOM 0 HA PHE A 68 4.473 27.305 32.644 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.006 26.804 30.737 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.493 26.053 32.244 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.712 24.226 31.047 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.881 24.840 30.336 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.845 22.041 29.918 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.007 22.653 29.209 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.991 21.255 28.999 1.00 0.00 H new ATOM 1057 N LEU A 69 3.674 27.555 30.100 1.00 0.00 N ATOM 1058 CA LEU A 69 2.814 27.893 28.976 1.00 0.00 C ATOM 1059 C LEU A 69 3.677 28.279 27.785 1.00 0.00 C ATOM 1060 O LEU A 69 3.450 29.313 27.158 1.00 0.00 O ATOM 1061 CB LEU A 69 1.886 29.051 29.348 1.00 0.00 C ATOM 1062 CG LEU A 69 1.381 28.933 30.787 1.00 0.00 C ATOM 1063 CD1 LEU A 69 0.776 30.255 31.253 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.358 27.807 30.906 1.00 0.00 C ATOM 0 H LEU A 69 4.524 28.115 30.157 1.00 0.00 H new ATOM 0 HA LEU A 69 2.201 27.029 28.718 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.416 29.996 29.225 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.037 29.070 28.665 1.00 0.00 H new ATOM 0 HG LEU A 69 2.229 28.697 31.429 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.422 30.152 32.279 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.533 31.038 31.207 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.060 30.521 30.606 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.010 27.739 31.937 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.488 28.013 30.251 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.820 26.863 30.616 1.00 0.00 H new ATOM 1076 N THR A 70 4.680 27.434 27.502 1.00 0.00 N ATOM 1077 CA THR A 70 5.641 27.638 26.403 1.00 0.00 C ATOM 1078 C THR A 70 5.074 28.496 25.275 1.00 0.00 C ATOM 1079 O THR A 70 3.924 28.333 24.869 1.00 0.00 O ATOM 1080 CB THR A 70 6.078 26.287 25.846 1.00 0.00 C ATOM 1081 OG1 THR A 70 5.002 25.365 25.909 1.00 0.00 O ATOM 1082 CG2 THR A 70 7.278 25.747 26.620 1.00 0.00 C ATOM 0 H THR A 70 4.850 26.581 28.034 1.00 0.00 H new ATOM 0 HA THR A 70 6.495 28.173 26.818 1.00 0.00 H new ATOM 0 HB THR A 70 6.372 26.421 24.805 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.323 24.512 26.269 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.574 24.783 26.207 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.109 26.447 26.538 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.009 25.625 27.669 1.00 0.00 H new ATOM 1090 N GLU A 71 5.899 29.415 24.782 1.00 0.00 N ATOM 1091 CA GLU A 71 5.501 30.316 23.706 1.00 0.00 C ATOM 1092 C GLU A 71 4.880 29.532 22.555 1.00 0.00 C ATOM 1093 O GLU A 71 3.729 29.763 22.185 1.00 0.00 O ATOM 1094 CB GLU A 71 6.713 31.102 23.209 1.00 0.00 C ATOM 1095 CG GLU A 71 7.530 31.669 24.369 1.00 0.00 C ATOM 1096 CD GLU A 71 8.214 32.964 23.948 1.00 0.00 C ATOM 1097 OE1 GLU A 71 7.540 34.015 23.928 1.00 0.00 O ATOM 1098 OE2 GLU A 71 9.424 32.924 23.638 1.00 0.00 O ATOM 0 H GLU A 71 6.853 29.555 25.113 1.00 0.00 H new ATOM 0 HA GLU A 71 4.757 31.013 24.093 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.344 30.453 22.602 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.380 31.916 22.565 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.880 31.854 25.225 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.277 30.942 24.687 1.00 0.00 H new ATOM 1105 N LYS A 72 5.648 28.604 21.993 1.00 0.00 N ATOM 1106 CA LYS A 72 5.171 27.784 20.884 1.00 0.00 C ATOM 1107 C LYS A 72 5.286 26.305 21.232 1.00 0.00 C ATOM 1108 O LYS A 72 5.964 25.546 20.540 1.00 0.00 O ATOM 1109 CB LYS A 72 5.979 28.084 19.624 1.00 0.00 C ATOM 1110 CG LYS A 72 5.085 28.114 18.387 1.00 0.00 C ATOM 1111 CD LYS A 72 4.251 26.840 18.277 1.00 0.00 C ATOM 1112 CE LYS A 72 3.544 26.755 16.927 1.00 0.00 C ATOM 1113 NZ LYS A 72 2.790 25.476 16.794 1.00 0.00 N ATOM 0 H LYS A 72 6.603 28.401 22.287 1.00 0.00 H new ATOM 0 HA LYS A 72 4.123 28.023 20.701 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.485 29.043 19.733 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.754 27.328 19.497 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.425 28.981 18.433 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.699 28.228 17.494 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.894 25.970 18.409 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.513 26.816 19.079 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.860 27.597 16.818 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.277 26.834 16.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.319 25.445 15.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.448 24.675 16.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.075 25.414 17.547 1.00 0.00 H new ATOM 1127 N GLY A 73 4.619 25.902 22.309 1.00 0.00 N ATOM 1128 CA GLY A 73 4.646 24.511 22.751 1.00 0.00 C ATOM 1129 C GLY A 73 3.278 24.080 23.261 1.00 0.00 C ATOM 1130 O GLY A 73 2.376 23.785 22.477 1.00 0.00 O ATOM 0 H GLY A 73 4.053 26.519 22.892 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.951 23.868 21.925 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.388 24.390 23.540 1.00 0.00 H new ATOM 1134 N MET A 74 3.128 24.042 24.581 1.00 0.00 N ATOM 1135 CA MET A 74 1.868 23.644 25.200 1.00 0.00 C ATOM 1136 C MET A 74 1.933 23.847 26.709 1.00 0.00 C ATOM 1137 O MET A 74 2.940 24.318 27.237 1.00 0.00 O ATOM 1138 CB MET A 74 1.573 22.182 24.881 1.00 0.00 C ATOM 1139 CG MET A 74 2.820 21.318 25.052 1.00 0.00 C ATOM 1140 SD MET A 74 2.423 19.581 25.306 1.00 0.00 S ATOM 1141 CE MET A 74 2.538 19.469 27.098 1.00 0.00 C ATOM 0 H MET A 74 3.865 24.282 25.244 1.00 0.00 H new ATOM 0 HA MET A 74 1.067 24.265 24.799 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.782 21.817 25.535 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.206 22.097 23.858 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.452 21.418 24.169 1.00 0.00 H new ATOM 0 HG3 MET A 74 3.398 21.683 25.901 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.318 18.449 27.414 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.545 19.738 27.415 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.820 20.152 27.552 1.00 0.00 H new ATOM 1151 N LYS A 75 0.854 23.490 27.399 1.00 0.00 N ATOM 1152 CA LYS A 75 0.793 23.636 28.850 1.00 0.00 C ATOM 1153 C LYS A 75 0.216 22.378 29.490 1.00 0.00 C ATOM 1154 O LYS A 75 -0.482 21.601 28.839 1.00 0.00 O ATOM 1155 CB LYS A 75 -0.058 24.851 29.218 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.530 24.628 28.878 1.00 0.00 C ATOM 1157 CD LYS A 75 -1.761 24.653 27.371 1.00 0.00 C ATOM 1158 CE LYS A 75 -2.926 25.569 27.004 1.00 0.00 C ATOM 1159 NZ LYS A 75 -2.476 26.980 26.835 1.00 0.00 N ATOM 0 H LYS A 75 0.011 23.098 26.978 1.00 0.00 H new ATOM 0 HA LYS A 75 1.805 23.783 29.228 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.043 25.058 30.283 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.310 25.729 28.687 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.858 23.670 29.282 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.136 25.399 29.354 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.856 24.993 26.868 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.964 23.643 27.015 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.388 25.220 26.081 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.689 25.519 27.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.291 27.577 26.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.057 27.320 27.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.766 27.029 26.077 1.00 0.00 H new ATOM 1173 N ASN A 76 0.512 22.186 30.772 1.00 0.00 N ATOM 1174 CA ASN A 76 0.024 21.024 31.508 1.00 0.00 C ATOM 1175 C ASN A 76 0.635 20.988 32.902 1.00 0.00 C ATOM 1176 O ASN A 76 1.853 21.077 33.058 1.00 0.00 O ATOM 1177 CB ASN A 76 0.372 19.742 30.757 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.895 19.074 30.237 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -1.839 18.841 30.991 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -0.915 18.766 28.946 1.00 0.00 N ATOM 0 H ASN A 76 1.089 22.821 31.324 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.060 21.100 31.599 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.039 19.969 29.925 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.907 19.059 31.417 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.737 18.317 28.541 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.109 18.978 28.359 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.215 20.858 33.915 1.00 0.00 N ATOM 1188 CA VAL A 77 0.237 20.811 35.294 1.00 0.00 C ATOM 1189 C VAL A 77 1.001 19.519 35.561 1.00 0.00 C ATOM 1190 O VAL A 77 0.626 18.453 35.072 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.968 20.921 36.223 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.774 22.177 35.904 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.852 19.680 36.121 1.00 0.00 C ATOM 0 H VAL A 77 -1.226 20.783 33.802 1.00 0.00 H new ATOM 0 HA VAL A 77 0.912 21.646 35.480 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.601 20.992 37.247 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.630 22.240 36.576 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.144 23.057 36.035 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.124 22.132 34.873 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.704 19.784 36.793 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.209 19.571 35.097 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.275 18.798 36.400 1.00 0.00 H new ATOM 1203 N PHE A 78 2.073 19.619 36.339 1.00 0.00 N ATOM 1204 CA PHE A 78 2.891 18.456 36.670 1.00 0.00 C ATOM 1205 C PHE A 78 2.851 18.191 38.169 1.00 0.00 C ATOM 1206 O PHE A 78 3.213 19.051 38.971 1.00 0.00 O ATOM 1207 CB PHE A 78 4.329 18.687 36.213 1.00 0.00 C ATOM 1208 CG PHE A 78 4.424 19.008 34.744 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.447 17.985 33.811 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.479 20.327 34.325 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.525 18.280 32.461 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.559 20.623 32.974 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.582 19.599 32.042 1.00 0.00 C ATOM 0 H PHE A 78 2.397 20.493 36.753 1.00 0.00 H new ATOM 0 HA PHE A 78 2.490 17.584 36.154 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.763 19.505 36.789 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.922 17.797 36.426 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.404 16.956 34.137 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.460 21.125 35.052 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.541 17.481 31.734 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.603 21.652 32.648 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.644 19.829 30.989 1.00 0.00 H new ATOM 1223 N ASP A 79 2.407 16.995 38.540 1.00 0.00 N ATOM 1224 CA ASP A 79 2.316 16.613 39.946 1.00 0.00 C ATOM 1225 C ASP A 79 3.483 15.716 40.333 1.00 0.00 C ATOM 1226 O ASP A 79 3.900 14.854 39.560 1.00 0.00 O ATOM 1227 CB ASP A 79 0.998 15.888 40.203 1.00 0.00 C ATOM 1228 CG ASP A 79 -0.141 16.891 40.330 1.00 0.00 C ATOM 1229 OD1 ASP A 79 0.014 17.877 41.081 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -1.187 16.689 39.678 1.00 0.00 O ATOM 0 H ASP A 79 2.104 16.272 37.887 1.00 0.00 H new ATOM 0 HA ASP A 79 2.355 17.517 40.554 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.792 15.194 39.388 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.073 15.295 41.115 1.00 0.00 H new ATOM 1235 N ASP A 80 4.004 15.921 41.539 1.00 0.00 N ATOM 1236 CA ASP A 80 5.122 15.127 42.038 1.00 0.00 C ATOM 1237 C ASP A 80 6.337 15.283 41.132 1.00 0.00 C ATOM 1238 O ASP A 80 6.825 14.308 40.562 1.00 0.00 O ATOM 1239 CB ASP A 80 4.720 13.658 42.117 1.00 0.00 C ATOM 1240 CG ASP A 80 5.589 12.927 43.132 1.00 0.00 C ATOM 1241 OD1 ASP A 80 6.605 13.505 43.572 1.00 0.00 O ATOM 1242 OD2 ASP A 80 5.252 11.777 43.486 1.00 0.00 O ATOM 0 H ASP A 80 3.669 16.631 42.190 1.00 0.00 H new ATOM 0 HA ASP A 80 5.384 15.484 43.034 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.671 13.576 42.400 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.823 13.192 41.137 1.00 0.00 H new ATOM 1247 N VAL A 81 6.828 16.512 41.008 1.00 0.00 N ATOM 1248 CA VAL A 81 7.993 16.788 40.174 1.00 0.00 C ATOM 1249 C VAL A 81 9.269 16.643 40.997 1.00 0.00 C ATOM 1250 O VAL A 81 10.081 15.753 40.745 1.00 0.00 O ATOM 1251 CB VAL A 81 7.889 18.195 39.578 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.173 18.579 38.844 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.697 18.282 38.629 1.00 0.00 C ATOM 0 H VAL A 81 6.438 17.332 41.474 1.00 0.00 H new ATOM 0 HA VAL A 81 8.027 16.069 39.356 1.00 0.00 H new ATOM 0 HB VAL A 81 7.743 18.897 40.399 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.070 19.583 38.431 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.011 18.557 39.541 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.355 17.871 38.035 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.636 19.288 38.213 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.822 17.562 37.820 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.780 18.059 39.175 1.00 0.00 H new ATOM 1263 N VAL A 82 9.440 17.519 41.982 1.00 0.00 N ATOM 1264 CA VAL A 82 10.618 17.482 42.844 1.00 0.00 C ATOM 1265 C VAL A 82 10.381 16.550 44.028 1.00 0.00 C ATOM 1266 O VAL A 82 9.293 16.530 44.603 1.00 0.00 O ATOM 1267 CB VAL A 82 10.940 18.886 43.349 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.173 18.864 44.249 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.150 19.842 42.179 1.00 0.00 C ATOM 0 H VAL A 82 8.779 18.263 42.204 1.00 0.00 H new ATOM 0 HA VAL A 82 11.461 17.107 42.264 1.00 0.00 H new ATOM 0 HB VAL A 82 10.093 19.241 43.936 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.386 19.874 44.599 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.987 18.215 45.105 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.027 18.487 43.687 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.378 20.838 42.559 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.979 19.489 41.565 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.243 19.883 41.576 1.00 0.00 H new ATOM 1279 N PRO A 83 11.403 15.764 44.412 1.00 0.00 N ATOM 1280 CA PRO A 83 11.301 14.825 45.542 1.00 0.00 C ATOM 1281 C PRO A 83 11.270 15.546 46.885 1.00 0.00 C ATOM 1282 O PRO A 83 11.453 16.762 46.952 1.00 0.00 O ATOM 1283 CB PRO A 83 12.557 13.972 45.425 1.00 0.00 C ATOM 1284 CG PRO A 83 13.538 14.822 44.688 1.00 0.00 C ATOM 1285 CD PRO A 83 12.737 15.723 43.785 1.00 0.00 C ATOM 0 HA PRO A 83 10.379 14.244 45.503 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.937 13.693 46.408 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.356 13.046 44.887 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.141 15.407 45.382 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.226 14.206 44.109 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.178 16.718 43.721 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.689 15.329 42.770 1.00 0.00 H new ATOM 1293 N GLU A 84 11.044 14.789 47.954 1.00 0.00 N ATOM 1294 CA GLU A 84 10.997 15.357 49.297 1.00 0.00 C ATOM 1295 C GLU A 84 12.285 16.115 49.590 1.00 0.00 C ATOM 1296 O GLU A 84 12.256 17.274 50.005 1.00 0.00 O ATOM 1297 CB GLU A 84 10.798 14.247 50.327 1.00 0.00 C ATOM 1298 CG GLU A 84 10.186 14.789 51.616 1.00 0.00 C ATOM 1299 CD GLU A 84 9.177 13.796 52.177 1.00 0.00 C ATOM 1300 OE1 GLU A 84 9.603 12.743 52.695 1.00 0.00 O ATOM 1301 OE2 GLU A 84 7.962 14.072 52.096 1.00 0.00 O ATOM 0 H GLU A 84 10.891 13.781 47.917 1.00 0.00 H new ATOM 0 HA GLU A 84 10.158 16.051 49.357 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.151 13.474 49.912 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.756 13.776 50.547 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.971 14.975 52.349 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.698 15.744 51.422 1.00 0.00 H new ATOM 1308 N LYS A 85 13.416 15.454 49.364 1.00 0.00 N ATOM 1309 CA LYS A 85 14.722 16.063 49.595 1.00 0.00 C ATOM 1310 C LYS A 85 15.470 16.214 48.277 1.00 0.00 C ATOM 1311 O LYS A 85 16.242 15.339 47.886 1.00 0.00 O ATOM 1312 CB LYS A 85 15.538 15.204 50.558 1.00 0.00 C ATOM 1313 CG LYS A 85 14.689 14.727 51.732 1.00 0.00 C ATOM 1314 CD LYS A 85 15.446 13.711 52.582 1.00 0.00 C ATOM 1315 CE LYS A 85 14.663 12.408 52.715 1.00 0.00 C ATOM 1316 NZ LYS A 85 14.821 11.818 54.075 1.00 0.00 N ATOM 0 H LYS A 85 13.455 14.494 49.020 1.00 0.00 H new ATOM 0 HA LYS A 85 14.576 17.049 50.035 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.943 14.343 50.026 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.387 15.778 50.930 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.403 15.580 52.348 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.767 14.279 51.360 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.418 13.509 52.132 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.633 14.128 53.571 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.607 12.594 52.517 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.007 11.696 51.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.277 10.933 54.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.826 11.619 54.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.470 12.489 54.788 1.00 0.00 H new ATOM 1330 N TYR A 86 15.233 17.328 47.593 1.00 0.00 N ATOM 1331 CA TYR A 86 15.881 17.595 46.313 1.00 0.00 C ATOM 1332 C TYR A 86 17.382 17.775 46.500 1.00 0.00 C ATOM 1333 O TYR A 86 17.860 17.976 47.617 1.00 0.00 O ATOM 1334 CB TYR A 86 15.284 18.847 45.679 1.00 0.00 C ATOM 1335 CG TYR A 86 15.523 20.090 46.500 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.755 20.721 46.461 1.00 0.00 C ATOM 1337 CD2 TYR A 86 14.510 20.602 47.293 1.00 0.00 C ATOM 1338 CE1 TYR A 86 16.973 21.861 47.216 1.00 0.00 C ATOM 1339 CE2 TYR A 86 14.730 21.743 48.047 1.00 0.00 C ATOM 1340 CZ TYR A 86 15.960 22.367 48.005 1.00 0.00 C ATOM 1341 OH TYR A 86 16.179 23.500 48.754 1.00 0.00 O ATOM 0 H TYR A 86 14.596 18.062 47.904 1.00 0.00 H new ATOM 0 HA TYR A 86 15.712 16.743 45.655 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.712 18.985 44.686 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.211 18.705 45.547 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.546 20.324 45.842 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.548 20.112 47.324 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.934 22.353 47.188 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.941 22.143 48.666 1.00 0.00 H new ATOM 0 HH TYR A 86 15.366 23.725 49.252 1.00 0.00 H new ATOM 1351 N THR A 87 18.120 17.704 45.397 1.00 0.00 N ATOM 1352 CA THR A 87 19.570 17.861 45.430 1.00 0.00 C ATOM 1353 C THR A 87 20.053 18.564 44.169 1.00 0.00 C ATOM 1354 O THR A 87 19.969 18.015 43.070 1.00 0.00 O ATOM 1355 CB THR A 87 20.241 16.495 45.553 1.00 0.00 C ATOM 1356 OG1 THR A 87 19.585 15.719 46.543 1.00 0.00 O ATOM 1357 CG2 THR A 87 21.719 16.649 45.902 1.00 0.00 C ATOM 0 H THR A 87 17.736 17.538 44.466 1.00 0.00 H new ATOM 0 HA THR A 87 19.836 18.468 46.295 1.00 0.00 H new ATOM 0 HB THR A 87 20.166 15.986 44.592 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.021 14.844 46.614 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.178 15.664 45.985 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.220 17.218 45.119 1.00 0.00 H new ATOM 0 HG23 THR A 87 21.816 17.175 46.852 1.00 0.00 H new ATOM 1365 N ILE A 88 20.557 19.782 44.333 1.00 0.00 N ATOM 1366 CA ILE A 88 21.054 20.567 43.208 1.00 0.00 C ATOM 1367 C ILE A 88 22.031 19.745 42.375 1.00 0.00 C ATOM 1368 O ILE A 88 23.207 19.624 42.719 1.00 0.00 O ATOM 1369 CB ILE A 88 21.740 21.829 43.719 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.832 22.569 44.699 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.125 22.741 42.559 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.376 22.491 46.123 1.00 0.00 C ATOM 0 H ILE A 88 20.632 20.249 45.237 1.00 0.00 H new ATOM 0 HA ILE A 88 20.210 20.848 42.578 1.00 0.00 H new ATOM 0 HB ILE A 88 22.651 21.536 44.241 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.742 23.613 44.398 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.830 22.140 44.666 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.613 23.636 42.946 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.808 22.214 41.893 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.229 23.026 42.008 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.708 23.027 46.797 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.442 21.447 46.431 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.367 22.943 46.159 1.00 0.00 H new ATOM 1384 N GLY A 89 21.535 19.180 41.278 1.00 0.00 N ATOM 1385 CA GLY A 89 22.362 18.367 40.392 1.00 0.00 C ATOM 1386 C GLY A 89 21.665 17.055 40.055 1.00 0.00 C ATOM 1387 O GLY A 89 22.223 15.976 40.253 1.00 0.00 O ATOM 0 H GLY A 89 20.563 19.270 40.981 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.572 18.918 39.476 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.321 18.163 40.868 1.00 0.00 H new ATOM 1391 N ALA A 90 20.443 17.154 39.543 1.00 0.00 N ATOM 1392 CA ALA A 90 19.667 15.974 39.176 1.00 0.00 C ATOM 1393 C ALA A 90 18.391 16.382 38.452 1.00 0.00 C ATOM 1394 O ALA A 90 18.153 17.566 38.212 1.00 0.00 O ATOM 1395 CB ALA A 90 19.321 15.167 40.424 1.00 0.00 C ATOM 0 H ALA A 90 19.968 18.040 39.372 1.00 0.00 H new ATOM 0 HA ALA A 90 20.267 15.357 38.507 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.742 14.288 40.140 1.00 0.00 H new ATOM 0 HB2 ALA A 90 20.239 14.852 40.920 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.734 15.784 41.105 1.00 0.00 H new ATOM 1401 N THR A 91 17.572 15.395 38.105 1.00 0.00 N ATOM 1402 CA THR A 91 16.317 15.649 37.405 1.00 0.00 C ATOM 1403 C THR A 91 15.150 15.036 38.169 1.00 0.00 C ATOM 1404 O THR A 91 15.272 13.953 38.742 1.00 0.00 O ATOM 1405 CB THR A 91 16.380 15.068 35.996 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.648 15.336 35.418 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.272 15.649 35.122 1.00 0.00 C ATOM 0 H THR A 91 17.755 14.410 38.297 1.00 0.00 H new ATOM 0 HA THR A 91 16.165 16.726 37.340 1.00 0.00 H new ATOM 0 HB THR A 91 16.237 13.989 36.060 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.682 14.959 34.514 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.336 15.221 34.122 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.302 15.410 35.558 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.386 16.731 35.062 1.00 0.00 H new ATOM 1415 N TYR A 92 14.019 15.734 38.174 1.00 0.00 N ATOM 1416 CA TYR A 92 12.828 15.257 38.871 1.00 0.00 C ATOM 1417 C TYR A 92 11.571 15.690 38.129 1.00 0.00 C ATOM 1418 O TYR A 92 11.359 16.879 37.890 1.00 0.00 O ATOM 1419 CB TYR A 92 12.801 15.800 40.299 1.00 0.00 C ATOM 1420 CG TYR A 92 14.169 15.869 40.930 1.00 0.00 C ATOM 1421 CD1 TYR A 92 14.787 14.713 41.372 1.00 0.00 C ATOM 1422 CD2 TYR A 92 14.809 17.089 41.065 1.00 0.00 C ATOM 1423 CE1 TYR A 92 16.044 14.777 41.949 1.00 0.00 C ATOM 1424 CE2 TYR A 92 16.066 17.152 41.643 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.678 15.995 42.082 1.00 0.00 C ATOM 1426 OH TYR A 92 17.927 16.057 42.656 1.00 0.00 O ATOM 0 H TYR A 92 13.901 16.631 37.704 1.00 0.00 H new ATOM 0 HA TYR A 92 12.859 14.168 38.905 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.359 16.796 40.295 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.157 15.168 40.910 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.289 13.760 41.267 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.328 17.992 40.719 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.527 13.875 42.294 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.566 18.103 41.750 1.00 0.00 H new ATOM 0 HH TYR A 92 18.326 16.934 42.476 1.00 0.00 H new ATOM 1436 N ALA A 93 10.740 14.719 37.767 1.00 0.00 N ATOM 1437 CA ALA A 93 9.500 15.000 37.051 1.00 0.00 C ATOM 1438 C ALA A 93 8.809 13.701 36.655 1.00 0.00 C ATOM 1439 O ALA A 93 9.314 12.612 36.927 1.00 0.00 O ATOM 1440 CB ALA A 93 9.793 15.833 35.808 1.00 0.00 C ATOM 0 H ALA A 93 10.902 13.730 37.957 1.00 0.00 H new ATOM 0 HA ALA A 93 8.837 15.562 37.709 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.862 16.038 35.280 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.258 16.774 36.102 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.469 15.283 35.153 1.00 0.00 H new ATOM 1446 N PRO A 94 7.636 13.799 36.005 1.00 0.00 N ATOM 1447 CA PRO A 94 6.873 12.622 35.574 1.00 0.00 C ATOM 1448 C PRO A 94 7.452 11.994 34.311 1.00 0.00 C ATOM 1449 O PRO A 94 7.451 12.665 33.258 1.00 0.00 O ATOM 1450 CB PRO A 94 5.476 13.165 35.315 1.00 0.00 C ATOM 1451 CG PRO A 94 5.656 14.619 35.012 1.00 0.00 C ATOM 1452 CD PRO A 94 6.959 15.057 35.643 1.00 0.00 C ATOM 0 HA PRO A 94 6.893 11.829 36.322 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.003 12.647 34.481 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.833 13.023 36.184 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.676 14.787 33.935 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.823 15.199 35.409 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.559 15.644 34.948 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.785 15.681 36.520 1.00 0.00 H new TER 1460 PRO A 94