USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 960 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 81 MET CE :methyl 152:sc= -0.736 (180deg=-0.603) USER MOD Set 1.2: A 82 THR OG1 : rot -160:sc= -0.49 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0869) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -108:sc= -1.42 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -20:sc= -4.42! USER MOD Single : A 35 ASN : amide:sc= 0.533 K(o=0.53,f=-5!) USER MOD Single : A 37 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.1) USER MOD Single : A 45 SER OG : rot -32:sc= 0.952 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 150:sc= -1.56 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 70 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.546) USER MOD Single : A 71 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.56) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -8.85! C(o=-12!,f=-8.9!) USER MOD Single : A 75 MET CE :methyl 140:sc= -1.13 (180deg=-1.87) USER MOD Single : A 84 HIS : no HD1:sc= -3.19 K(o=-3.2,f=-5.7!) USER MOD Single : A 85 SER OG : rot -139:sc= 0.0341 USER MOD Single : A 92 SER OG : rot 79:sc= 0.715 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -3.31 K(o=-3.3,f=-5.6!) USER MOD Single : A 96 GLN : amide:sc= -10.9! C(o=-11!,f=-13!) USER MOD Single : A 101 TYR OH : rot -150:sc= -0.8 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.339 -16.751 4.079 1.00 0.00 N ATOM 2 CA MET A 1 11.397 -17.589 2.853 1.00 0.00 C ATOM 3 C MET A 1 11.562 -16.727 1.607 1.00 0.00 C ATOM 4 O MET A 1 12.299 -17.082 0.687 1.00 0.00 O ATOM 5 CB MET A 1 10.109 -18.409 2.761 1.00 0.00 C ATOM 6 CG MET A 1 10.193 -19.752 3.466 1.00 0.00 C ATOM 7 SD MET A 1 8.667 -20.181 4.322 1.00 0.00 S ATOM 8 CE MET A 1 9.318 -20.900 5.826 1.00 0.00 C ATOM 0 H1 MET A 1 11.397 -17.361 4.919 1.00 0.00 H new ATOM 0 H2 MET A 1 12.136 -16.082 4.080 1.00 0.00 H new ATOM 0 H3 MET A 1 10.443 -16.223 4.096 1.00 0.00 H new ATOM 0 HA MET A 1 12.260 -18.252 2.912 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.290 -17.833 3.191 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.867 -18.573 1.711 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.426 -20.527 2.736 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.014 -19.731 4.183 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.493 -21.217 6.464 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.937 -21.762 5.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.920 -20.160 6.352 1.00 0.00 H new ATOM 20 N GLN A 2 10.873 -15.590 1.588 1.00 0.00 N ATOM 21 CA GLN A 2 10.943 -14.676 0.457 1.00 0.00 C ATOM 22 C GLN A 2 11.889 -13.520 0.753 1.00 0.00 C ATOM 23 O GLN A 2 12.015 -13.083 1.897 1.00 0.00 O ATOM 24 CB GLN A 2 9.548 -14.139 0.127 1.00 0.00 C ATOM 25 CG GLN A 2 8.767 -15.016 -0.840 1.00 0.00 C ATOM 26 CD GLN A 2 7.407 -15.415 -0.301 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.296 -16.320 0.526 1.00 0.00 O ATOM 28 NE2 GLN A 2 6.363 -14.738 -0.765 1.00 0.00 N ATOM 0 H GLN A 2 10.261 -15.281 2.343 1.00 0.00 H new ATOM 0 HA GLN A 2 11.328 -15.225 -0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.980 -14.038 1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.644 -13.140 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.638 -14.484 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.345 -15.914 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.501 -13.995 -1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.424 -14.961 -0.436 1.00 0.00 H new ATOM 37 N ARG A 3 12.550 -13.025 -0.287 1.00 0.00 N ATOM 38 CA ARG A 3 13.482 -11.915 -0.139 1.00 0.00 C ATOM 39 C ARG A 3 12.775 -10.665 0.383 1.00 0.00 C ATOM 40 O ARG A 3 13.422 -9.707 0.802 1.00 0.00 O ATOM 41 CB ARG A 3 14.164 -11.602 -1.476 1.00 0.00 C ATOM 42 CG ARG A 3 13.194 -11.411 -2.632 1.00 0.00 C ATOM 43 CD ARG A 3 13.874 -11.620 -3.975 1.00 0.00 C ATOM 44 NE ARG A 3 13.011 -12.321 -4.927 1.00 0.00 N ATOM 45 CZ ARG A 3 13.222 -13.566 -5.354 1.00 0.00 C ATOM 46 NH1 ARG A 3 14.258 -14.272 -4.913 1.00 0.00 N ATOM 47 NH2 ARG A 3 12.389 -14.112 -6.230 1.00 0.00 N ATOM 0 H ARG A 3 12.458 -13.375 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 3 14.238 -12.214 0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.763 -10.699 -1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.851 -12.412 -1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 3 12.365 -12.111 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.771 -10.407 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.160 -10.654 -4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.792 -12.190 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 3 12.196 -11.825 -5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.904 -13.862 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.407 -15.224 -5.249 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.590 -13.579 -6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.547 -15.064 -6.559 1.00 0.00 H new ATOM 61 N GLY A 4 11.445 -10.675 0.348 1.00 0.00 N ATOM 62 CA GLY A 4 10.687 -9.531 0.812 1.00 0.00 C ATOM 63 C GLY A 4 10.439 -8.537 -0.298 1.00 0.00 C ATOM 64 O GLY A 4 11.281 -7.684 -0.577 1.00 0.00 O ATOM 0 H GLY A 4 10.882 -11.454 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.733 -9.867 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.226 -9.043 1.624 1.00 0.00 H new ATOM 68 N ILE A 5 9.288 -8.654 -0.946 1.00 0.00 N ATOM 69 CA ILE A 5 8.942 -7.764 -2.043 1.00 0.00 C ATOM 70 C ILE A 5 7.892 -6.747 -1.624 1.00 0.00 C ATOM 71 O ILE A 5 6.757 -7.102 -1.303 1.00 0.00 O ATOM 72 CB ILE A 5 8.418 -8.547 -3.262 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.347 -9.719 -3.584 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.273 -7.626 -4.466 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.957 -11.007 -2.890 1.00 0.00 C ATOM 0 H ILE A 5 8.580 -9.356 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 5 9.858 -7.242 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 5 7.434 -8.948 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.352 -9.883 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.365 -9.455 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.902 -8.196 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.570 -6.827 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.243 -7.195 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.659 -11.795 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.980 -10.860 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.951 -11.295 -3.196 1.00 0.00 H new ATOM 87 N VAL A 6 8.275 -5.477 -1.647 1.00 0.00 N ATOM 88 CA VAL A 6 7.362 -4.405 -1.287 1.00 0.00 C ATOM 89 C VAL A 6 6.929 -3.629 -2.520 1.00 0.00 C ATOM 90 O VAL A 6 7.758 -3.223 -3.333 1.00 0.00 O ATOM 91 CB VAL A 6 7.981 -3.412 -0.286 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.268 -2.826 -0.844 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.980 -2.314 0.039 1.00 0.00 C ATOM 0 H VAL A 6 9.210 -5.166 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 6 6.504 -4.886 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 6 8.226 -3.942 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.692 -2.126 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.981 -3.628 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.055 -2.302 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.424 -1.615 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.712 -1.784 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.085 -2.756 0.477 1.00 0.00 H new ATOM 103 N TRP A 7 5.629 -3.419 -2.648 1.00 0.00 N ATOM 104 CA TRP A 7 5.082 -2.683 -3.776 1.00 0.00 C ATOM 105 C TRP A 7 4.387 -1.417 -3.289 1.00 0.00 C ATOM 106 O TRP A 7 3.764 -1.410 -2.229 1.00 0.00 O ATOM 107 CB TRP A 7 4.126 -3.578 -4.571 1.00 0.00 C ATOM 108 CG TRP A 7 4.849 -4.594 -5.415 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.188 -4.868 -5.395 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.281 -5.466 -6.400 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.489 -5.841 -6.311 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.337 -6.230 -6.937 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.987 -5.676 -6.881 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.137 -7.185 -7.930 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.791 -6.626 -7.869 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.862 -7.370 -8.382 1.00 0.00 C ATOM 0 H TRP A 7 4.931 -3.749 -1.982 1.00 0.00 H new ATOM 0 HA TRP A 7 5.893 -2.384 -4.440 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.459 -4.094 -3.880 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.502 -2.956 -5.213 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.907 -4.386 -4.749 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.420 -6.214 -6.496 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.155 -5.109 -6.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.961 -7.759 -8.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.795 -6.797 -8.251 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.675 -8.105 -9.151 1.00 0.00 H new ATOM 127 N VAL A 8 4.524 -0.338 -4.050 1.00 0.00 N ATOM 128 CA VAL A 8 3.931 0.938 -3.665 1.00 0.00 C ATOM 129 C VAL A 8 3.216 1.598 -4.835 1.00 0.00 C ATOM 130 O VAL A 8 3.653 1.505 -5.975 1.00 0.00 O ATOM 131 CB VAL A 8 5.003 1.923 -3.137 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.472 2.716 -1.955 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.281 1.190 -2.758 1.00 0.00 C ATOM 0 H VAL A 8 5.037 -0.320 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 8 3.213 0.715 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 8 5.239 2.621 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.242 3.401 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.594 3.284 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.198 2.032 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.016 1.906 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.064 0.460 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.680 0.678 -3.633 1.00 0.00 H new ATOM 143 N VAL A 9 2.125 2.286 -4.540 1.00 0.00 N ATOM 144 CA VAL A 9 1.371 2.986 -5.571 1.00 0.00 C ATOM 145 C VAL A 9 1.079 4.417 -5.132 1.00 0.00 C ATOM 146 O VAL A 9 0.237 4.649 -4.265 1.00 0.00 O ATOM 147 CB VAL A 9 0.046 2.273 -5.909 1.00 0.00 C ATOM 148 CG1 VAL A 9 0.296 1.078 -6.806 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.682 1.844 -4.654 1.00 0.00 C ATOM 0 H VAL A 9 1.742 2.376 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 9 1.988 2.991 -6.470 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.587 2.984 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.651 0.589 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.764 1.410 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.956 0.374 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.612 1.344 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.054 1.158 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.905 2.720 -4.045 1.00 0.00 H new ATOM 159 N ASP A 10 1.791 5.377 -5.726 1.00 0.00 N ATOM 160 CA ASP A 10 1.606 6.784 -5.375 1.00 0.00 C ATOM 161 C ASP A 10 2.267 7.716 -6.392 1.00 0.00 C ATOM 162 O ASP A 10 3.224 8.421 -6.080 1.00 0.00 O ATOM 163 CB ASP A 10 2.164 7.056 -3.975 1.00 0.00 C ATOM 164 CG ASP A 10 1.781 8.427 -3.451 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.350 9.274 -4.261 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.911 8.652 -2.229 1.00 0.00 O ATOM 0 H ASP A 10 2.494 5.207 -6.445 1.00 0.00 H new ATOM 0 HA ASP A 10 0.535 6.988 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.798 6.293 -3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.250 6.970 -3.998 1.00 0.00 H new ATOM 171 N ASP A 11 1.735 7.726 -7.608 1.00 0.00 N ATOM 172 CA ASP A 11 2.241 8.585 -8.681 1.00 0.00 C ATOM 173 C ASP A 11 3.561 8.086 -9.274 1.00 0.00 C ATOM 174 O ASP A 11 4.019 8.609 -10.290 1.00 0.00 O ATOM 175 CB ASP A 11 2.412 10.023 -8.180 1.00 0.00 C ATOM 176 CG ASP A 11 2.343 11.037 -9.303 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.422 10.933 -10.142 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.213 11.933 -9.351 1.00 0.00 O ATOM 0 H ASP A 11 0.944 7.143 -7.881 1.00 0.00 H new ATOM 0 HA ASP A 11 1.497 8.554 -9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.637 10.244 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.370 10.115 -7.669 1.00 0.00 H new ATOM 183 N ASP A 12 4.176 7.083 -8.652 1.00 0.00 N ATOM 184 CA ASP A 12 5.440 6.547 -9.153 1.00 0.00 C ATOM 185 C ASP A 12 6.520 7.636 -9.194 1.00 0.00 C ATOM 186 O ASP A 12 6.449 8.612 -8.448 1.00 0.00 O ATOM 187 CB ASP A 12 5.232 5.948 -10.550 1.00 0.00 C ATOM 188 CG ASP A 12 6.095 4.724 -10.791 1.00 0.00 C ATOM 189 OD1 ASP A 12 7.332 4.877 -10.877 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.535 3.613 -10.896 1.00 0.00 O ATOM 0 H ASP A 12 3.825 6.629 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 12 5.778 5.764 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.183 5.679 -10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.459 6.703 -11.303 1.00 0.00 H new ATOM 195 N SER A 13 7.507 7.463 -10.078 1.00 0.00 N ATOM 196 CA SER A 13 8.602 8.413 -10.251 1.00 0.00 C ATOM 197 C SER A 13 9.030 9.084 -8.943 1.00 0.00 C ATOM 198 O SER A 13 9.902 8.579 -8.236 1.00 0.00 O ATOM 199 CB SER A 13 8.210 9.439 -11.305 1.00 0.00 C ATOM 200 OG SER A 13 9.353 9.967 -11.956 1.00 0.00 O ATOM 0 H SER A 13 7.566 6.654 -10.696 1.00 0.00 H new ATOM 0 HA SER A 13 9.477 7.858 -10.588 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.551 8.976 -12.040 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.648 10.248 -10.838 1.00 0.00 H new ATOM 0 HG SER A 13 9.073 10.622 -12.629 1.00 0.00 H new ATOM 206 N SER A 14 8.432 10.224 -8.628 1.00 0.00 N ATOM 207 CA SER A 14 8.772 10.953 -7.411 1.00 0.00 C ATOM 208 C SER A 14 8.641 10.063 -6.179 1.00 0.00 C ATOM 209 O SER A 14 9.635 9.754 -5.523 1.00 0.00 O ATOM 210 CB SER A 14 7.883 12.187 -7.263 1.00 0.00 C ATOM 211 OG SER A 14 8.480 13.326 -7.862 1.00 0.00 O ATOM 0 H SER A 14 7.709 10.665 -9.197 1.00 0.00 H new ATOM 0 HA SER A 14 9.811 11.271 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.914 11.997 -7.724 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.701 12.382 -6.206 1.00 0.00 H new ATOM 0 HG SER A 14 7.889 14.100 -7.754 1.00 0.00 H new ATOM 217 N ILE A 15 7.416 9.650 -5.872 1.00 0.00 N ATOM 218 CA ILE A 15 7.174 8.797 -4.714 1.00 0.00 C ATOM 219 C ILE A 15 7.931 7.478 -4.836 1.00 0.00 C ATOM 220 O ILE A 15 8.174 6.797 -3.840 1.00 0.00 O ATOM 221 CB ILE A 15 5.670 8.511 -4.518 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.877 9.820 -4.497 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.444 7.731 -3.230 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.290 10.762 -3.386 1.00 0.00 C ATOM 0 H ILE A 15 6.580 9.890 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 15 7.539 9.340 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 15 5.318 7.908 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.001 10.325 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.817 9.591 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.379 7.536 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.983 6.785 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.809 8.313 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.686 11.668 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.140 10.276 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.342 11.022 -3.501 1.00 0.00 H new ATOM 236 N ARG A 16 8.306 7.125 -6.061 1.00 0.00 N ATOM 237 CA ARG A 16 9.041 5.891 -6.310 1.00 0.00 C ATOM 238 C ARG A 16 10.466 5.978 -5.771 1.00 0.00 C ATOM 239 O ARG A 16 10.880 5.157 -4.951 1.00 0.00 O ATOM 240 CB ARG A 16 9.079 5.589 -7.808 1.00 0.00 C ATOM 241 CG ARG A 16 9.869 4.336 -8.154 1.00 0.00 C ATOM 242 CD ARG A 16 10.457 4.421 -9.550 1.00 0.00 C ATOM 243 NE ARG A 16 10.965 3.132 -10.010 1.00 0.00 N ATOM 244 CZ ARG A 16 11.699 2.973 -11.108 1.00 0.00 C ATOM 245 NH1 ARG A 16 12.010 4.019 -11.864 1.00 0.00 N ATOM 246 NH2 ARG A 16 12.122 1.766 -11.453 1.00 0.00 N ATOM 0 H ARG A 16 8.113 7.677 -6.897 1.00 0.00 H new ATOM 0 HA ARG A 16 8.523 5.086 -5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.058 5.478 -8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.515 6.440 -8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.670 4.197 -7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.220 3.463 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.695 4.778 -10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.265 5.153 -9.559 1.00 0.00 H new ATOM 0 HE ARG A 16 10.744 2.304 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.686 4.951 -11.604 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.573 3.891 -12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.885 0.958 -10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.685 1.644 -12.295 1.00 0.00 H new ATOM 260 N TRP A 17 11.215 6.967 -6.246 1.00 0.00 N ATOM 261 CA TRP A 17 12.598 7.148 -5.820 1.00 0.00 C ATOM 262 C TRP A 17 12.714 7.229 -4.302 1.00 0.00 C ATOM 263 O TRP A 17 13.660 6.707 -3.714 1.00 0.00 O ATOM 264 CB TRP A 17 13.198 8.408 -6.446 1.00 0.00 C ATOM 265 CG TRP A 17 14.654 8.570 -6.136 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.685 7.842 -6.654 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.243 9.508 -5.223 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.879 8.269 -6.125 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.634 9.291 -5.245 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.731 10.511 -4.395 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.518 10.037 -4.470 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.610 11.252 -3.624 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.990 11.010 -3.667 1.00 0.00 C ATOM 0 H TRP A 17 10.889 7.655 -6.925 1.00 0.00 H new ATOM 0 HA TRP A 17 13.155 6.275 -6.161 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.063 8.371 -7.527 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.655 9.282 -6.086 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.578 7.045 -7.375 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.798 7.888 -6.350 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.669 10.704 -4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.582 9.854 -4.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.226 12.029 -2.979 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.650 11.605 -3.053 1.00 0.00 H new ATOM 284 N VAL A 18 11.764 7.911 -3.674 1.00 0.00 N ATOM 285 CA VAL A 18 11.781 8.084 -2.226 1.00 0.00 C ATOM 286 C VAL A 18 11.679 6.766 -1.467 1.00 0.00 C ATOM 287 O VAL A 18 12.500 6.474 -0.598 1.00 0.00 O ATOM 288 CB VAL A 18 10.645 9.010 -1.749 1.00 0.00 C ATOM 289 CG1 VAL A 18 10.847 9.379 -0.289 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.559 10.257 -2.615 1.00 0.00 C ATOM 0 H VAL A 18 10.973 8.353 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 18 12.748 8.537 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 18 9.701 8.474 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.038 10.033 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.848 8.474 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.800 9.895 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.750 10.893 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.501 10.803 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.365 9.970 -3.648 1.00 0.00 H new ATOM 300 N LEU A 19 10.646 5.998 -1.766 1.00 0.00 N ATOM 301 CA LEU A 19 10.408 4.732 -1.076 1.00 0.00 C ATOM 302 C LEU A 19 11.218 3.572 -1.642 1.00 0.00 C ATOM 303 O LEU A 19 11.435 2.574 -0.956 1.00 0.00 O ATOM 304 CB LEU A 19 8.920 4.378 -1.106 1.00 0.00 C ATOM 305 CG LEU A 19 8.405 3.670 0.149 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.726 4.488 1.390 1.00 0.00 C ATOM 307 CD2 LEU A 19 6.908 3.414 0.041 1.00 0.00 C ATOM 0 H LEU A 19 9.955 6.225 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 19 10.739 4.882 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.346 5.293 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.729 3.741 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 19 8.909 2.707 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.353 3.970 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.805 4.615 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.250 5.466 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.559 2.910 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.384 4.363 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.708 2.785 -0.827 1.00 0.00 H new ATOM 319 N GLU A 20 11.651 3.685 -2.887 1.00 0.00 N ATOM 320 CA GLU A 20 12.412 2.607 -3.507 1.00 0.00 C ATOM 321 C GLU A 20 13.780 2.443 -2.856 1.00 0.00 C ATOM 322 O GLU A 20 14.122 1.367 -2.366 1.00 0.00 O ATOM 323 CB GLU A 20 12.548 2.823 -5.020 1.00 0.00 C ATOM 324 CG GLU A 20 13.561 3.872 -5.441 1.00 0.00 C ATOM 325 CD GLU A 20 13.646 4.021 -6.949 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.789 3.445 -7.652 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.569 4.710 -7.427 1.00 0.00 O ATOM 0 H GLU A 20 11.493 4.498 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 20 11.856 1.683 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.820 1.874 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.573 3.104 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.292 4.831 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.542 3.604 -5.049 1.00 0.00 H new ATOM 334 N ARG A 21 14.556 3.507 -2.867 1.00 0.00 N ATOM 335 CA ARG A 21 15.896 3.492 -2.290 1.00 0.00 C ATOM 336 C ARG A 21 15.866 3.236 -0.785 1.00 0.00 C ATOM 337 O ARG A 21 16.593 2.382 -0.279 1.00 0.00 O ATOM 338 CB ARG A 21 16.605 4.812 -2.581 1.00 0.00 C ATOM 339 CG ARG A 21 16.893 5.032 -4.058 1.00 0.00 C ATOM 340 CD ARG A 21 18.343 4.724 -4.392 1.00 0.00 C ATOM 341 NE ARG A 21 18.457 3.783 -5.503 1.00 0.00 N ATOM 342 CZ ARG A 21 19.472 2.936 -5.658 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.473 2.915 -4.786 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.489 2.105 -6.691 1.00 0.00 N ATOM 0 H ARG A 21 14.284 4.403 -3.271 1.00 0.00 H new ATOM 0 HA ARG A 21 16.445 2.672 -2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.992 5.634 -2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.544 4.841 -2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.238 4.399 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.668 6.065 -4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.862 5.649 -4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.838 4.310 -3.513 1.00 0.00 H new ATOM 0 HE ARG A 21 17.714 3.774 -6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 21 20.468 3.551 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.246 2.262 -4.913 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.725 2.115 -7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.266 1.456 -6.810 1.00 0.00 H new ATOM 358 N ALA A 22 15.034 3.987 -0.070 1.00 0.00 N ATOM 359 CA ALA A 22 14.935 3.839 1.379 1.00 0.00 C ATOM 360 C ALA A 22 14.549 2.425 1.773 1.00 0.00 C ATOM 361 O ALA A 22 15.165 1.825 2.653 1.00 0.00 O ATOM 362 CB ALA A 22 13.939 4.839 1.948 1.00 0.00 C ATOM 0 H ALA A 22 14.422 4.700 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 22 15.920 4.042 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.877 4.716 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.268 5.852 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.958 4.667 1.506 1.00 0.00 H new ATOM 368 N LEU A 23 13.536 1.901 1.115 1.00 0.00 N ATOM 369 CA LEU A 23 13.074 0.551 1.396 1.00 0.00 C ATOM 370 C LEU A 23 14.089 -0.469 0.895 1.00 0.00 C ATOM 371 O LEU A 23 14.184 -1.582 1.417 1.00 0.00 O ATOM 372 CB LEU A 23 11.700 0.307 0.768 1.00 0.00 C ATOM 373 CG LEU A 23 10.851 -0.785 1.431 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.132 -0.884 2.927 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.371 -0.529 1.184 1.00 0.00 C ATOM 0 H LEU A 23 13.016 2.385 0.383 1.00 0.00 H new ATOM 0 HA LEU A 23 12.974 0.436 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.139 1.241 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.841 0.045 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 23 11.125 -1.738 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.512 -1.668 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.184 -1.123 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.901 0.068 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.782 -1.312 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.094 0.439 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.176 -0.530 0.112 1.00 0.00 H new ATOM 387 N ALA A 24 14.871 -0.072 -0.100 1.00 0.00 N ATOM 388 CA ALA A 24 15.899 -0.939 -0.637 1.00 0.00 C ATOM 389 C ALA A 24 16.984 -1.128 0.411 1.00 0.00 C ATOM 390 O ALA A 24 17.573 -2.203 0.526 1.00 0.00 O ATOM 391 CB ALA A 24 16.479 -0.365 -1.922 1.00 0.00 C ATOM 0 H ALA A 24 14.810 0.843 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 24 15.462 -1.907 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.249 -1.035 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.687 -0.261 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.917 0.612 -1.719 1.00 0.00 H new ATOM 397 N GLY A 25 17.217 -0.079 1.201 1.00 0.00 N ATOM 398 CA GLY A 25 18.204 -0.160 2.257 1.00 0.00 C ATOM 399 C GLY A 25 17.787 -1.160 3.315 1.00 0.00 C ATOM 400 O GLY A 25 18.627 -1.724 4.017 1.00 0.00 O ATOM 0 H GLY A 25 16.740 0.819 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.167 -0.450 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.337 0.822 2.712 1.00 0.00 H new ATOM 404 N ALA A 26 16.479 -1.387 3.418 1.00 0.00 N ATOM 405 CA ALA A 26 15.942 -2.334 4.378 1.00 0.00 C ATOM 406 C ALA A 26 16.148 -3.769 3.897 1.00 0.00 C ATOM 407 O ALA A 26 16.041 -4.714 4.680 1.00 0.00 O ATOM 408 CB ALA A 26 14.464 -2.063 4.620 1.00 0.00 C ATOM 0 H ALA A 26 15.774 -0.924 2.844 1.00 0.00 H new ATOM 0 HA ALA A 26 16.479 -2.209 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.076 -2.781 5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.338 -1.053 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.918 -2.161 3.682 1.00 0.00 H new ATOM 414 N GLY A 27 16.457 -3.928 2.609 1.00 0.00 N ATOM 415 CA GLY A 27 16.687 -5.251 2.061 1.00 0.00 C ATOM 416 C GLY A 27 15.481 -5.837 1.344 1.00 0.00 C ATOM 417 O GLY A 27 15.346 -7.059 1.268 1.00 0.00 O ATOM 0 H GLY A 27 16.551 -3.164 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.525 -5.205 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.980 -5.922 2.868 1.00 0.00 H new ATOM 421 N LEU A 28 14.596 -4.988 0.816 1.00 0.00 N ATOM 422 CA LEU A 28 13.417 -5.484 0.115 1.00 0.00 C ATOM 423 C LEU A 28 13.332 -4.933 -1.305 1.00 0.00 C ATOM 424 O LEU A 28 14.048 -4.000 -1.668 1.00 0.00 O ATOM 425 CB LEU A 28 12.132 -5.142 0.875 1.00 0.00 C ATOM 426 CG LEU A 28 12.297 -4.907 2.373 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.570 -3.449 2.646 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.068 -5.392 3.128 1.00 0.00 C ATOM 0 H LEU A 28 14.673 -3.972 0.860 1.00 0.00 H new ATOM 0 HA LEU A 28 13.518 -6.568 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.695 -4.248 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.418 -5.952 0.729 1.00 0.00 H new ATOM 0 HG LEU A 28 13.152 -5.482 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.686 -3.295 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.485 -3.148 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.737 -2.848 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.204 -5.216 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.189 -4.849 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.929 -6.459 2.951 1.00 0.00 H new ATOM 440 N THR A 29 12.435 -5.514 -2.101 1.00 0.00 N ATOM 441 CA THR A 29 12.232 -5.075 -3.480 1.00 0.00 C ATOM 442 C THR A 29 11.085 -4.077 -3.535 1.00 0.00 C ATOM 443 O THR A 29 9.920 -4.451 -3.403 1.00 0.00 O ATOM 444 CB THR A 29 11.929 -6.270 -4.388 1.00 0.00 C ATOM 445 OG1 THR A 29 13.028 -7.163 -4.429 1.00 0.00 O ATOM 446 CG2 THR A 29 11.605 -5.875 -5.816 1.00 0.00 C ATOM 0 H THR A 29 11.838 -6.290 -1.814 1.00 0.00 H new ATOM 0 HA THR A 29 13.146 -4.597 -3.833 1.00 0.00 H new ATOM 0 HB THR A 29 11.050 -6.745 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.813 -7.920 -5.013 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.401 -6.770 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.728 -5.227 -5.824 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.453 -5.343 -6.248 1.00 0.00 H new ATOM 454 N CYS A 30 11.420 -2.806 -3.709 1.00 0.00 N ATOM 455 CA CYS A 30 10.412 -1.755 -3.748 1.00 0.00 C ATOM 456 C CYS A 30 10.085 -1.312 -5.173 1.00 0.00 C ATOM 457 O CYS A 30 10.909 -0.693 -5.846 1.00 0.00 O ATOM 458 CB CYS A 30 10.891 -0.555 -2.934 1.00 0.00 C ATOM 459 SG CYS A 30 9.589 0.631 -2.524 1.00 0.00 S ATOM 0 H CYS A 30 12.379 -2.478 -3.825 1.00 0.00 H new ATOM 0 HA CYS A 30 9.498 -2.164 -3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.343 -0.915 -2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.673 -0.040 -3.492 1.00 0.00 H new ATOM 0 HG CYS A 30 9.750 1.712 -3.227 1.00 0.00 H new ATOM 465 N THR A 31 8.861 -1.605 -5.615 1.00 0.00 N ATOM 466 CA THR A 31 8.413 -1.205 -6.945 1.00 0.00 C ATOM 467 C THR A 31 7.186 -0.301 -6.800 1.00 0.00 C ATOM 468 O THR A 31 6.381 -0.491 -5.886 1.00 0.00 O ATOM 469 CB THR A 31 8.086 -2.432 -7.811 1.00 0.00 C ATOM 470 OG1 THR A 31 8.140 -2.096 -9.187 1.00 0.00 O ATOM 471 CG2 THR A 31 6.709 -2.999 -7.563 1.00 0.00 C ATOM 0 H THR A 31 8.166 -2.116 -5.071 1.00 0.00 H new ATOM 0 HA THR A 31 9.213 -0.660 -7.446 1.00 0.00 H new ATOM 0 HB THR A 31 8.833 -3.177 -7.537 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.931 -2.888 -9.726 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.549 -3.862 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.624 -3.306 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.958 -2.239 -7.780 1.00 0.00 H new ATOM 479 N THR A 32 7.048 0.694 -7.672 1.00 0.00 N ATOM 480 CA THR A 32 5.921 1.617 -7.580 1.00 0.00 C ATOM 481 C THR A 32 5.070 1.640 -8.843 1.00 0.00 C ATOM 482 O THR A 32 5.519 1.274 -9.928 1.00 0.00 O ATOM 483 CB THR A 32 6.414 3.026 -7.268 1.00 0.00 C ATOM 484 OG1 THR A 32 7.156 3.559 -8.353 1.00 0.00 O ATOM 485 CG2 THR A 32 7.287 3.081 -6.034 1.00 0.00 C ATOM 0 H THR A 32 7.693 0.881 -8.440 1.00 0.00 H new ATOM 0 HA THR A 32 5.288 1.255 -6.769 1.00 0.00 H new ATOM 0 HB THR A 32 5.516 3.618 -7.090 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.468 2.828 -8.926 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.608 4.108 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.721 2.728 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.162 2.447 -6.178 1.00 0.00 H new ATOM 493 N PHE A 33 3.828 2.076 -8.672 1.00 0.00 N ATOM 494 CA PHE A 33 2.874 2.164 -9.763 1.00 0.00 C ATOM 495 C PHE A 33 2.098 3.479 -9.717 1.00 0.00 C ATOM 496 O PHE A 33 2.243 4.270 -8.782 1.00 0.00 O ATOM 497 CB PHE A 33 1.898 0.996 -9.744 1.00 0.00 C ATOM 498 CG PHE A 33 2.525 -0.350 -9.514 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.221 -0.623 -8.346 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.408 -1.347 -10.467 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.787 -1.866 -8.136 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.971 -2.589 -10.262 1.00 0.00 C ATOM 503 CZ PHE A 33 3.660 -2.852 -9.096 1.00 0.00 C ATOM 0 H PHE A 33 3.457 2.378 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 33 3.448 2.126 -10.689 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.157 1.173 -8.964 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.363 0.974 -10.693 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.322 0.144 -7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.869 -1.150 -11.382 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.328 -2.067 -7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.872 -3.357 -11.015 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.099 -3.825 -8.934 1.00 0.00 H new ATOM 513 N GLU A 34 1.284 3.705 -10.744 1.00 0.00 N ATOM 514 CA GLU A 34 0.486 4.923 -10.853 1.00 0.00 C ATOM 515 C GLU A 34 -0.527 5.038 -9.713 1.00 0.00 C ATOM 516 O GLU A 34 -0.850 6.140 -9.268 1.00 0.00 O ATOM 517 CB GLU A 34 -0.249 4.941 -12.203 1.00 0.00 C ATOM 518 CG GLU A 34 -1.525 4.092 -12.248 1.00 0.00 C ATOM 519 CD GLU A 34 -1.406 2.881 -13.152 1.00 0.00 C ATOM 520 OE1 GLU A 34 -0.656 2.950 -14.147 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.074 1.862 -12.863 1.00 0.00 O ATOM 0 H GLU A 34 1.159 3.054 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 34 1.163 5.775 -10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.506 5.972 -12.448 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.433 4.589 -12.977 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.769 3.761 -11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.354 4.712 -12.589 1.00 0.00 H new ATOM 528 N ASN A 35 -1.030 3.901 -9.254 1.00 0.00 N ATOM 529 CA ASN A 35 -2.010 3.881 -8.177 1.00 0.00 C ATOM 530 C ASN A 35 -2.387 2.446 -7.830 1.00 0.00 C ATOM 531 O ASN A 35 -1.892 1.501 -8.442 1.00 0.00 O ATOM 532 CB ASN A 35 -3.257 4.676 -8.575 1.00 0.00 C ATOM 533 CG ASN A 35 -3.860 5.435 -7.407 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.505 4.848 -6.538 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.653 6.747 -7.380 1.00 0.00 N ATOM 0 H ASN A 35 -0.776 2.980 -9.611 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.567 4.347 -7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.998 5.379 -9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.003 3.995 -8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.035 7.308 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.112 7.193 -8.121 1.00 0.00 H new ATOM 542 N GLY A 36 -3.261 2.290 -6.845 1.00 0.00 N ATOM 543 CA GLY A 36 -3.681 0.964 -6.432 1.00 0.00 C ATOM 544 C GLY A 36 -4.168 0.108 -7.587 1.00 0.00 C ATOM 545 O GLY A 36 -4.214 -1.116 -7.477 1.00 0.00 O ATOM 0 H GLY A 36 -3.687 3.057 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.847 0.462 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.478 1.055 -5.694 1.00 0.00 H new ATOM 549 N ASN A 37 -4.537 0.754 -8.691 1.00 0.00 N ATOM 550 CA ASN A 37 -5.033 0.052 -9.869 1.00 0.00 C ATOM 551 C ASN A 37 -3.935 -0.757 -10.561 1.00 0.00 C ATOM 552 O ASN A 37 -4.116 -1.944 -10.844 1.00 0.00 O ATOM 553 CB ASN A 37 -5.647 1.050 -10.848 1.00 0.00 C ATOM 554 CG ASN A 37 -7.052 0.665 -11.261 1.00 0.00 C ATOM 555 OD1 ASN A 37 -7.392 0.689 -12.444 1.00 0.00 O ATOM 556 ND2 ASN A 37 -7.879 0.310 -10.285 1.00 0.00 N ATOM 0 H ASN A 37 -4.501 1.768 -8.793 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.796 -0.652 -9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.664 2.039 -10.391 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.017 1.119 -11.735 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.839 0.043 -10.502 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.554 0.305 -9.318 1.00 0.00 H new ATOM 563 N GLU A 38 -2.799 -0.122 -10.843 1.00 0.00 N ATOM 564 CA GLU A 38 -1.705 -0.813 -11.515 1.00 0.00 C ATOM 565 C GLU A 38 -1.354 -2.115 -10.796 1.00 0.00 C ATOM 566 O GLU A 38 -1.289 -3.174 -11.423 1.00 0.00 O ATOM 567 CB GLU A 38 -0.467 0.075 -11.578 1.00 0.00 C ATOM 568 CG GLU A 38 0.244 0.046 -12.925 1.00 0.00 C ATOM 569 CD GLU A 38 1.502 0.895 -12.952 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.381 2.137 -13.020 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.609 0.319 -12.900 1.00 0.00 O ATOM 0 H GLU A 38 -2.615 0.856 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.036 -1.045 -12.527 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.756 1.102 -11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.232 -0.237 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.503 -0.984 -13.171 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.440 0.396 -13.698 1.00 0.00 H new ATOM 578 N VAL A 39 -1.127 -2.041 -9.486 1.00 0.00 N ATOM 579 CA VAL A 39 -0.783 -3.232 -8.716 1.00 0.00 C ATOM 580 C VAL A 39 -1.785 -4.358 -8.966 1.00 0.00 C ATOM 581 O VAL A 39 -1.421 -5.533 -8.957 1.00 0.00 O ATOM 582 CB VAL A 39 -0.702 -2.933 -7.207 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.366 -4.192 -6.424 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.332 -1.854 -6.942 1.00 0.00 C ATOM 0 H VAL A 39 -1.174 -1.180 -8.942 1.00 0.00 H new ATOM 0 HA VAL A 39 0.202 -3.553 -9.055 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.677 -2.576 -6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.314 -3.956 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.139 -4.942 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.596 -4.581 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.380 -1.651 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.308 -2.191 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.052 -0.943 -7.472 1.00 0.00 H new ATOM 594 N LEU A 40 -3.044 -3.995 -9.205 1.00 0.00 N ATOM 595 CA LEU A 40 -4.081 -4.988 -9.475 1.00 0.00 C ATOM 596 C LEU A 40 -3.699 -5.826 -10.689 1.00 0.00 C ATOM 597 O LEU A 40 -3.779 -7.054 -10.665 1.00 0.00 O ATOM 598 CB LEU A 40 -5.436 -4.318 -9.721 1.00 0.00 C ATOM 599 CG LEU A 40 -5.802 -3.208 -8.738 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.191 -2.669 -9.037 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.719 -3.716 -7.306 1.00 0.00 C ATOM 0 H LEU A 40 -3.369 -3.028 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.167 -5.631 -8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.441 -3.904 -10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.212 -5.082 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.087 -2.394 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.435 -1.879 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.215 -2.267 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.920 -3.474 -8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.983 -2.912 -6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.411 -4.548 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.703 -4.053 -7.098 1.00 0.00 H new ATOM 613 N ALA A 41 -3.277 -5.145 -11.752 1.00 0.00 N ATOM 614 CA ALA A 41 -2.872 -5.817 -12.981 1.00 0.00 C ATOM 615 C ALA A 41 -1.558 -6.560 -12.787 1.00 0.00 C ATOM 616 O ALA A 41 -1.435 -7.736 -13.130 1.00 0.00 O ATOM 617 CB ALA A 41 -2.755 -4.815 -14.122 1.00 0.00 C ATOM 0 H ALA A 41 -3.207 -4.128 -11.785 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.639 -6.547 -13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.452 -5.333 -15.032 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.719 -4.333 -14.283 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.010 -4.061 -13.869 1.00 0.00 H new ATOM 623 N ALA A 42 -0.583 -5.859 -12.231 1.00 0.00 N ATOM 624 CA ALA A 42 0.735 -6.435 -11.977 1.00 0.00 C ATOM 625 C ALA A 42 0.644 -7.621 -11.024 1.00 0.00 C ATOM 626 O ALA A 42 1.434 -8.561 -11.111 1.00 0.00 O ATOM 627 CB ALA A 42 1.680 -5.377 -11.418 1.00 0.00 C ATOM 0 H ALA A 42 -0.677 -4.885 -11.944 1.00 0.00 H new ATOM 0 HA ALA A 42 1.132 -6.795 -12.926 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.658 -5.823 -11.234 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.781 -4.564 -12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.278 -4.987 -10.483 1.00 0.00 H new ATOM 633 N LEU A 43 -0.316 -7.568 -10.106 1.00 0.00 N ATOM 634 CA LEU A 43 -0.493 -8.637 -9.128 1.00 0.00 C ATOM 635 C LEU A 43 -0.989 -9.925 -9.774 1.00 0.00 C ATOM 636 O LEU A 43 -0.783 -11.014 -9.238 1.00 0.00 O ATOM 637 CB LEU A 43 -1.474 -8.224 -8.036 1.00 0.00 C ATOM 638 CG LEU A 43 -0.879 -7.411 -6.902 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.974 -6.960 -5.951 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.142 -8.251 -6.174 1.00 0.00 C ATOM 0 H LEU A 43 -0.981 -6.800 -10.018 1.00 0.00 H new ATOM 0 HA LEU A 43 0.488 -8.820 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.278 -7.646 -8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.926 -9.123 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.392 -6.523 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.535 -6.377 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.695 -6.346 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.479 -7.833 -5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.574 -7.672 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.340 -9.142 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.931 -8.546 -6.866 1.00 0.00 H new ATOM 652 N ALA A 44 -1.657 -9.795 -10.909 1.00 0.00 N ATOM 653 CA ALA A 44 -2.196 -10.955 -11.611 1.00 0.00 C ATOM 654 C ALA A 44 -1.122 -12.003 -11.887 1.00 0.00 C ATOM 655 O ALA A 44 -1.430 -13.170 -12.126 1.00 0.00 O ATOM 656 CB ALA A 44 -2.862 -10.525 -12.910 1.00 0.00 C ATOM 0 H ALA A 44 -1.840 -8.901 -11.365 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.942 -11.413 -10.962 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.259 -11.401 -13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.675 -9.833 -12.690 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.129 -10.032 -13.549 1.00 0.00 H new ATOM 662 N SER A 45 0.139 -11.583 -11.862 1.00 0.00 N ATOM 663 CA SER A 45 1.247 -12.488 -12.118 1.00 0.00 C ATOM 664 C SER A 45 2.269 -12.487 -10.980 1.00 0.00 C ATOM 665 O SER A 45 3.313 -13.132 -11.081 1.00 0.00 O ATOM 666 CB SER A 45 1.934 -12.124 -13.433 1.00 0.00 C ATOM 667 OG SER A 45 3.123 -12.873 -13.613 1.00 0.00 O ATOM 0 H SER A 45 0.416 -10.621 -11.667 1.00 0.00 H new ATOM 0 HA SER A 45 0.832 -13.494 -12.187 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.255 -12.309 -14.265 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.167 -11.059 -13.443 1.00 0.00 H new ATOM 0 HG SER A 45 3.526 -13.062 -12.740 1.00 0.00 H new ATOM 673 N LYS A 46 1.976 -11.768 -9.898 1.00 0.00 N ATOM 674 CA LYS A 46 2.889 -11.708 -8.764 1.00 0.00 C ATOM 675 C LYS A 46 2.214 -11.084 -7.545 1.00 0.00 C ATOM 676 O LYS A 46 1.260 -10.323 -7.672 1.00 0.00 O ATOM 677 CB LYS A 46 4.140 -10.908 -9.133 1.00 0.00 C ATOM 678 CG LYS A 46 5.440 -11.612 -8.779 1.00 0.00 C ATOM 679 CD LYS A 46 6.340 -10.728 -7.930 1.00 0.00 C ATOM 680 CE LYS A 46 7.810 -10.993 -8.211 1.00 0.00 C ATOM 681 NZ LYS A 46 8.371 -10.031 -9.200 1.00 0.00 N ATOM 0 H LYS A 46 1.121 -11.224 -9.785 1.00 0.00 H new ATOM 0 HA LYS A 46 3.177 -12.728 -8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.127 -10.703 -10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.108 -9.945 -8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.221 -12.534 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.963 -11.894 -9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.114 -9.680 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.133 -10.904 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.375 -10.927 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.930 -12.010 -8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.375 -10.247 -9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.850 -10.111 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.280 -9.062 -8.832 1.00 0.00 H new ATOM 695 N THR A 47 2.721 -11.412 -6.363 1.00 0.00 N ATOM 696 CA THR A 47 2.174 -10.882 -5.126 1.00 0.00 C ATOM 697 C THR A 47 3.291 -10.510 -4.151 1.00 0.00 C ATOM 698 O THR A 47 4.036 -11.378 -3.698 1.00 0.00 O ATOM 699 CB THR A 47 1.229 -11.898 -4.480 1.00 0.00 C ATOM 700 OG1 THR A 47 0.129 -12.170 -5.331 1.00 0.00 O ATOM 701 CG2 THR A 47 0.673 -11.444 -3.147 1.00 0.00 C ATOM 0 H THR A 47 3.512 -12.044 -6.238 1.00 0.00 H new ATOM 0 HA THR A 47 1.611 -9.980 -5.365 1.00 0.00 H new ATOM 0 HB THR A 47 1.836 -12.788 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.463 -12.823 -4.902 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.012 -12.213 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.493 -11.273 -2.450 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.113 -10.519 -3.282 1.00 0.00 H new ATOM 709 N PRO A 48 3.423 -9.216 -3.797 1.00 0.00 N ATOM 710 CA PRO A 48 4.449 -8.772 -2.860 1.00 0.00 C ATOM 711 C PRO A 48 4.057 -9.082 -1.423 1.00 0.00 C ATOM 712 O PRO A 48 2.889 -9.347 -1.137 1.00 0.00 O ATOM 713 CB PRO A 48 4.506 -7.262 -3.089 1.00 0.00 C ATOM 714 CG PRO A 48 3.132 -6.895 -3.533 1.00 0.00 C ATOM 715 CD PRO A 48 2.578 -8.093 -4.260 1.00 0.00 C ATOM 0 HA PRO A 48 5.406 -9.269 -3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.782 -6.733 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.248 -7.004 -3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.505 -6.636 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.156 -6.023 -4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.528 -8.257 -4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.639 -7.967 -5.341 1.00 0.00 H new ATOM 723 N ASP A 49 5.026 -9.052 -0.522 1.00 0.00 N ATOM 724 CA ASP A 49 4.752 -9.332 0.878 1.00 0.00 C ATOM 725 C ASP A 49 4.020 -8.161 1.533 1.00 0.00 C ATOM 726 O ASP A 49 3.368 -8.327 2.562 1.00 0.00 O ATOM 727 CB ASP A 49 6.051 -9.628 1.626 1.00 0.00 C ATOM 728 CG ASP A 49 6.736 -10.886 1.127 1.00 0.00 C ATOM 729 OD1 ASP A 49 7.126 -10.920 -0.059 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.885 -11.838 1.924 1.00 0.00 O ATOM 0 H ASP A 49 6.001 -8.839 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 49 4.109 -10.211 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.729 -8.782 1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.838 -9.732 2.690 1.00 0.00 H new ATOM 735 N VAL A 50 4.132 -6.979 0.931 1.00 0.00 N ATOM 736 CA VAL A 50 3.476 -5.791 1.460 1.00 0.00 C ATOM 737 C VAL A 50 3.064 -4.851 0.327 1.00 0.00 C ATOM 738 O VAL A 50 3.565 -4.966 -0.793 1.00 0.00 O ATOM 739 CB VAL A 50 4.398 -5.051 2.444 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.730 -4.742 1.784 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.736 -3.782 2.965 1.00 0.00 C ATOM 0 H VAL A 50 4.670 -6.821 0.079 1.00 0.00 H new ATOM 0 HA VAL A 50 2.581 -6.113 1.993 1.00 0.00 H new ATOM 0 HB VAL A 50 4.581 -5.700 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.373 -4.218 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.209 -5.672 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.565 -4.114 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.410 -3.279 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.513 -3.118 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.811 -4.040 3.480 1.00 0.00 H new ATOM 751 N LEU A 51 2.138 -3.934 0.611 1.00 0.00 N ATOM 752 CA LEU A 51 1.665 -2.999 -0.406 1.00 0.00 C ATOM 753 C LEU A 51 1.166 -1.689 0.209 1.00 0.00 C ATOM 754 O LEU A 51 0.375 -1.688 1.148 1.00 0.00 O ATOM 755 CB LEU A 51 0.545 -3.657 -1.226 1.00 0.00 C ATOM 756 CG LEU A 51 0.093 -2.881 -2.464 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.184 -2.886 -3.525 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.193 -3.477 -3.019 1.00 0.00 C ATOM 0 H LEU A 51 1.705 -3.820 1.528 1.00 0.00 H new ATOM 0 HA LEU A 51 2.506 -2.754 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.881 -4.645 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.318 -3.806 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.099 -1.848 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.845 -2.329 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.084 -2.419 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.406 -3.913 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.504 -2.915 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.023 -4.518 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.975 -3.425 -2.261 1.00 0.00 H new ATOM 770 N LEU A 52 1.634 -0.573 -0.343 1.00 0.00 N ATOM 771 CA LEU A 52 1.240 0.757 0.127 1.00 0.00 C ATOM 772 C LEU A 52 0.452 1.468 -0.968 1.00 0.00 C ATOM 773 O LEU A 52 0.977 1.692 -2.057 1.00 0.00 O ATOM 774 CB LEU A 52 2.484 1.578 0.488 1.00 0.00 C ATOM 775 CG LEU A 52 2.349 2.491 1.710 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.723 2.914 2.211 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.504 3.710 1.378 1.00 0.00 C ATOM 0 H LEU A 52 2.292 -0.561 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 52 0.617 0.654 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.312 0.891 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.754 2.191 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 52 1.848 1.934 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.610 3.563 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.296 2.030 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.248 3.453 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.420 4.346 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.975 4.270 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.510 3.390 1.066 1.00 0.00 H new ATOM 789 N SER A 53 -0.812 1.805 -0.699 1.00 0.00 N ATOM 790 CA SER A 53 -1.644 2.462 -1.708 1.00 0.00 C ATOM 791 C SER A 53 -2.092 3.862 -1.299 1.00 0.00 C ATOM 792 O SER A 53 -2.355 4.131 -0.133 1.00 0.00 O ATOM 793 CB SER A 53 -2.863 1.600 -2.035 1.00 0.00 C ATOM 794 OG SER A 53 -2.542 0.607 -2.992 1.00 0.00 O ATOM 0 H SER A 53 -1.275 1.637 0.194 1.00 0.00 H new ATOM 0 HA SER A 53 -1.021 2.576 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.233 1.127 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.667 2.230 -2.416 1.00 0.00 H new ATOM 0 HG SER A 53 -3.106 -0.181 -2.847 1.00 0.00 H new ATOM 800 N ASP A 54 -2.168 4.751 -2.287 1.00 0.00 N ATOM 801 CA ASP A 54 -2.587 6.130 -2.058 1.00 0.00 C ATOM 802 C ASP A 54 -4.110 6.257 -2.030 1.00 0.00 C ATOM 803 O ASP A 54 -4.831 5.277 -2.213 1.00 0.00 O ATOM 804 CB ASP A 54 -2.005 7.048 -3.134 1.00 0.00 C ATOM 805 CG ASP A 54 -1.673 8.428 -2.600 1.00 0.00 C ATOM 806 OD1 ASP A 54 -0.659 8.557 -1.883 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.427 9.377 -2.898 1.00 0.00 O ATOM 0 H ASP A 54 -1.943 4.538 -3.259 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.206 6.433 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.103 6.594 -3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.718 7.140 -3.953 1.00 0.00 H new ATOM 812 N ILE A 55 -4.588 7.477 -1.809 1.00 0.00 N ATOM 813 CA ILE A 55 -6.017 7.753 -1.764 1.00 0.00 C ATOM 814 C ILE A 55 -6.290 9.219 -2.124 1.00 0.00 C ATOM 815 O ILE A 55 -6.705 10.013 -1.280 1.00 0.00 O ATOM 816 CB ILE A 55 -6.585 7.420 -0.363 1.00 0.00 C ATOM 817 CG1 ILE A 55 -8.066 7.795 -0.236 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.772 8.103 0.715 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.662 7.433 1.106 1.00 0.00 C ATOM 0 H ILE A 55 -4.000 8.296 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.518 7.121 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.512 6.340 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.177 8.867 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.629 7.294 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.186 7.858 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.738 7.762 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.806 9.182 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.712 7.726 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.582 6.357 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.123 7.955 1.896 1.00 0.00 H new ATOM 831 N ARG A 56 -6.031 9.572 -3.387 1.00 0.00 N ATOM 832 CA ARG A 56 -6.231 10.944 -3.863 1.00 0.00 C ATOM 833 C ARG A 56 -7.433 11.047 -4.809 1.00 0.00 C ATOM 834 O ARG A 56 -7.404 11.792 -5.788 1.00 0.00 O ATOM 835 CB ARG A 56 -4.965 11.456 -4.564 1.00 0.00 C ATOM 836 CG ARG A 56 -4.270 12.593 -3.826 1.00 0.00 C ATOM 837 CD ARG A 56 -4.409 13.915 -4.568 1.00 0.00 C ATOM 838 NE ARG A 56 -3.363 14.089 -5.577 1.00 0.00 N ATOM 839 CZ ARG A 56 -3.538 13.884 -6.884 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.720 13.501 -7.355 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.528 14.066 -7.724 1.00 0.00 N ATOM 0 H ARG A 56 -5.683 8.928 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.437 11.566 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.265 10.629 -4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.227 11.793 -5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.694 12.691 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.214 12.354 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.387 13.961 -5.048 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.365 14.738 -3.854 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.440 14.386 -5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.503 13.361 -6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.845 13.347 -8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.618 14.362 -7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.661 13.909 -8.723 1.00 0.00 H new ATOM 855 N MET A 57 -8.489 10.308 -4.494 1.00 0.00 N ATOM 856 CA MET A 57 -9.717 10.320 -5.290 1.00 0.00 C ATOM 857 C MET A 57 -9.527 9.758 -6.703 1.00 0.00 C ATOM 858 O MET A 57 -9.994 10.345 -7.679 1.00 0.00 O ATOM 859 CB MET A 57 -10.304 11.734 -5.356 1.00 0.00 C ATOM 860 CG MET A 57 -11.750 11.796 -4.894 1.00 0.00 C ATOM 861 SD MET A 57 -12.620 13.259 -5.482 1.00 0.00 S ATOM 862 CE MET A 57 -14.284 12.896 -4.926 1.00 0.00 C ATOM 0 H MET A 57 -8.522 9.686 -3.686 1.00 0.00 H new ATOM 0 HA MET A 57 -10.418 9.658 -4.781 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.702 12.401 -4.739 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.239 12.102 -6.380 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.274 10.905 -5.241 1.00 0.00 H new ATOM 0 HG3 MET A 57 -11.778 11.778 -3.805 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.949 13.710 -5.214 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.626 11.968 -5.384 1.00 0.00 H new ATOM 0 HE3 MET A 57 -14.290 12.789 -3.841 1.00 0.00 H new ATOM 872 N PRO A 58 -8.864 8.596 -6.830 1.00 0.00 N ATOM 873 CA PRO A 58 -8.651 7.951 -8.130 1.00 0.00 C ATOM 874 C PRO A 58 -9.962 7.430 -8.734 1.00 0.00 C ATOM 875 O PRO A 58 -10.534 8.059 -9.623 1.00 0.00 O ATOM 876 CB PRO A 58 -7.704 6.792 -7.805 1.00 0.00 C ATOM 877 CG PRO A 58 -7.924 6.507 -6.359 1.00 0.00 C ATOM 878 CD PRO A 58 -8.290 7.816 -5.720 1.00 0.00 C ATOM 0 HA PRO A 58 -8.250 8.642 -8.872 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.925 5.918 -8.418 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.667 7.064 -8.000 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.719 5.773 -6.224 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.025 6.091 -5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.009 7.680 -4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.418 8.310 -5.292 1.00 0.00 H new ATOM 886 N GLY A 59 -10.436 6.284 -8.240 1.00 0.00 N ATOM 887 CA GLY A 59 -11.676 5.707 -8.739 1.00 0.00 C ATOM 888 C GLY A 59 -12.817 5.864 -7.752 1.00 0.00 C ATOM 889 O GLY A 59 -13.985 5.926 -8.139 1.00 0.00 O ATOM 0 H GLY A 59 -9.982 5.745 -7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.944 6.185 -9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.523 4.649 -8.950 1.00 0.00 H new ATOM 893 N MET A 60 -12.470 5.934 -6.472 1.00 0.00 N ATOM 894 CA MET A 60 -13.449 6.094 -5.406 1.00 0.00 C ATOM 895 C MET A 60 -12.773 6.639 -4.156 1.00 0.00 C ATOM 896 O MET A 60 -12.638 5.935 -3.150 1.00 0.00 O ATOM 897 CB MET A 60 -14.142 4.767 -5.079 1.00 0.00 C ATOM 898 CG MET A 60 -15.192 4.886 -3.985 1.00 0.00 C ATOM 899 SD MET A 60 -16.878 4.886 -4.624 1.00 0.00 S ATOM 900 CE MET A 60 -17.815 4.822 -3.098 1.00 0.00 C ATOM 0 H MET A 60 -11.505 5.882 -6.146 1.00 0.00 H new ATOM 0 HA MET A 60 -14.206 6.798 -5.751 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.612 4.379 -5.983 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.390 4.039 -4.773 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.075 4.059 -3.285 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.022 5.805 -3.424 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.881 4.816 -3.326 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.556 3.916 -2.550 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.579 5.695 -2.489 1.00 0.00 H new ATOM 910 N ASP A 61 -12.325 7.890 -4.240 1.00 0.00 N ATOM 911 CA ASP A 61 -11.645 8.553 -3.129 1.00 0.00 C ATOM 912 C ASP A 61 -10.250 7.977 -2.909 1.00 0.00 C ATOM 913 O ASP A 61 -9.351 8.670 -2.435 1.00 0.00 O ATOM 914 CB ASP A 61 -12.472 8.426 -1.852 1.00 0.00 C ATOM 915 CG ASP A 61 -12.715 9.766 -1.189 1.00 0.00 C ATOM 916 OD1 ASP A 61 -13.598 10.513 -1.665 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.025 10.072 -0.194 1.00 0.00 O ATOM 0 H ASP A 61 -12.422 8.469 -5.074 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.539 9.608 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.429 7.960 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.959 7.765 -1.153 1.00 0.00 H new ATOM 922 N GLY A 62 -10.088 6.706 -3.249 1.00 0.00 N ATOM 923 CA GLY A 62 -8.822 6.028 -3.082 1.00 0.00 C ATOM 924 C GLY A 62 -9.042 4.619 -2.591 1.00 0.00 C ATOM 925 O GLY A 62 -8.257 3.715 -2.879 1.00 0.00 O ATOM 0 H GLY A 62 -10.827 6.125 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.284 6.010 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.200 6.574 -2.373 1.00 0.00 H new ATOM 929 N LEU A 63 -10.141 4.432 -1.867 1.00 0.00 N ATOM 930 CA LEU A 63 -10.499 3.126 -1.357 1.00 0.00 C ATOM 931 C LEU A 63 -10.990 2.238 -2.496 1.00 0.00 C ATOM 932 O LEU A 63 -11.092 1.021 -2.347 1.00 0.00 O ATOM 933 CB LEU A 63 -11.556 3.234 -0.258 1.00 0.00 C ATOM 934 CG LEU A 63 -11.372 4.405 0.710 1.00 0.00 C ATOM 935 CD1 LEU A 63 -12.134 5.633 0.235 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.799 4.004 2.109 1.00 0.00 C ATOM 0 H LEU A 63 -10.796 5.175 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.611 2.673 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.536 3.321 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.558 2.307 0.315 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.314 4.666 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.985 6.449 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.767 5.932 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.197 5.399 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.663 4.847 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.849 3.712 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.192 3.164 2.448 1.00 0.00 H new ATOM 948 N ALA A 64 -11.283 2.852 -3.646 1.00 0.00 N ATOM 949 CA ALA A 64 -11.737 2.100 -4.811 1.00 0.00 C ATOM 950 C ALA A 64 -10.758 0.977 -5.134 1.00 0.00 C ATOM 951 O ALA A 64 -11.144 -0.184 -5.270 1.00 0.00 O ATOM 952 CB ALA A 64 -11.870 3.022 -6.012 1.00 0.00 C ATOM 0 H ALA A 64 -11.214 3.859 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.711 1.667 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.209 2.449 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.593 3.807 -5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.903 3.473 -6.234 1.00 0.00 H new ATOM 958 N LEU A 65 -9.486 1.342 -5.259 1.00 0.00 N ATOM 959 CA LEU A 65 -8.438 0.379 -5.571 1.00 0.00 C ATOM 960 C LEU A 65 -8.394 -0.742 -4.534 1.00 0.00 C ATOM 961 O LEU A 65 -8.086 -1.884 -4.863 1.00 0.00 O ATOM 962 CB LEU A 65 -7.076 1.077 -5.656 1.00 0.00 C ATOM 963 CG LEU A 65 -6.510 1.567 -4.321 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.649 0.486 -3.683 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.709 2.849 -4.518 1.00 0.00 C ATOM 0 H LEU A 65 -9.156 2.301 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.667 -0.064 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.360 0.388 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.164 1.929 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.341 1.785 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.253 0.849 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.253 -0.404 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.823 0.238 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.314 3.183 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.883 2.660 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.356 3.622 -4.933 1.00 0.00 H new ATOM 977 N LEU A 66 -8.710 -0.410 -3.284 1.00 0.00 N ATOM 978 CA LEU A 66 -8.706 -1.400 -2.208 1.00 0.00 C ATOM 979 C LEU A 66 -9.679 -2.534 -2.513 1.00 0.00 C ATOM 980 O LEU A 66 -9.324 -3.709 -2.437 1.00 0.00 O ATOM 981 CB LEU A 66 -9.071 -0.751 -0.866 1.00 0.00 C ATOM 982 CG LEU A 66 -7.952 0.055 -0.198 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.700 -0.796 -0.042 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.647 1.321 -0.991 1.00 0.00 C ATOM 0 H LEU A 66 -8.971 0.532 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.698 -1.809 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.926 -0.093 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.391 -1.534 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.292 0.351 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.916 -0.207 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.926 -1.666 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.360 -1.126 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.850 1.876 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.331 1.052 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.542 1.941 -1.045 1.00 0.00 H new ATOM 996 N LYS A 67 -10.910 -2.172 -2.859 1.00 0.00 N ATOM 997 CA LYS A 67 -11.939 -3.156 -3.177 1.00 0.00 C ATOM 998 C LYS A 67 -11.464 -4.110 -4.270 1.00 0.00 C ATOM 999 O LYS A 67 -11.706 -5.312 -4.211 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.215 -2.450 -3.624 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.743 -1.467 -2.593 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.239 -1.627 -2.375 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.620 -1.345 -0.931 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.735 -2.218 -0.469 1.00 0.00 N ATOM 0 H LYS A 67 -11.220 -1.203 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.143 -3.738 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.023 -1.921 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.982 -3.196 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.220 -1.615 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.530 -0.449 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.779 -0.949 -3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.541 -2.640 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.751 -1.496 -0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.912 -0.300 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.964 -1.994 0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.572 -2.055 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.448 -3.215 -0.541 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.785 -3.561 -5.266 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.273 -4.362 -6.370 1.00 0.00 C ATOM 1020 C GLN A 68 -9.195 -5.334 -5.890 1.00 0.00 C ATOM 1021 O GLN A 68 -8.991 -6.393 -6.482 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.694 -3.460 -7.460 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.585 -2.284 -7.826 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.824 -2.711 -8.586 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.932 -2.695 -8.049 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.642 -3.094 -9.843 1.00 0.00 N ATOM 0 H GLN A 68 -10.575 -2.565 -5.333 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.106 -4.935 -6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.727 -3.081 -7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.513 -4.057 -8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.882 -1.761 -6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.018 -1.576 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.705 -3.091 -10.246 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.439 -3.391 -10.406 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.501 -4.957 -4.822 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.432 -5.781 -4.267 1.00 0.00 C ATOM 1037 C ILE A 69 -7.961 -7.103 -3.722 1.00 0.00 C ATOM 1038 O ILE A 69 -7.477 -8.175 -4.080 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.677 -5.027 -3.149 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.982 -3.797 -3.729 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.668 -5.929 -2.446 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.507 -2.824 -2.677 1.00 0.00 C ATOM 0 H ILE A 69 -8.660 -4.083 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.743 -5.997 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.406 -4.709 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.129 -4.119 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.669 -3.285 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.157 -5.364 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.187 -6.777 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.938 -6.292 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.023 -1.975 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.359 -2.474 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.796 -3.320 -2.017 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.940 -7.007 -2.845 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.537 -8.184 -2.220 1.00 0.00 C ATOM 1056 C LYS A 70 -10.249 -9.066 -3.237 1.00 0.00 C ATOM 1057 O LYS A 70 -10.426 -10.265 -3.018 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.528 -7.757 -1.139 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.681 -6.926 -1.682 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.006 -7.662 -1.586 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.130 -6.730 -1.160 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.364 -5.645 -2.156 1.00 0.00 N ATOM 0 H LYS A 70 -9.346 -6.121 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.728 -8.763 -1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.927 -8.645 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.001 -7.182 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.745 -5.989 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.484 -6.668 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.247 -8.107 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.919 -8.480 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.047 -7.305 -1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.888 -6.289 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.167 -4.723 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.734 -5.781 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.354 -5.673 -2.474 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.674 -8.465 -4.337 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.391 -9.194 -5.376 1.00 0.00 C ATOM 1078 C GLN A 71 -10.530 -10.272 -6.024 1.00 0.00 C ATOM 1079 O GLN A 71 -10.943 -11.426 -6.136 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.911 -8.223 -6.437 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.418 -8.013 -6.377 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.849 -6.683 -6.958 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.657 -6.628 -7.887 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.313 -5.599 -6.412 1.00 0.00 N ATOM 0 H GLN A 71 -10.536 -7.474 -4.535 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.233 -9.696 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.412 -7.261 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.643 -8.598 -7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.914 -8.819 -6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.748 -8.075 -5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.648 -5.690 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.566 -4.674 -6.760 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.346 -9.885 -6.468 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.437 -10.819 -7.131 1.00 0.00 C ATOM 1095 C ARG A 72 -7.410 -11.404 -6.168 1.00 0.00 C ATOM 1096 O ARG A 72 -6.899 -12.503 -6.387 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.727 -10.132 -8.300 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.640 -9.853 -9.481 1.00 0.00 C ATOM 1099 CD ARG A 72 -9.272 -8.473 -9.392 1.00 0.00 C ATOM 1100 NE ARG A 72 -8.516 -7.476 -10.147 1.00 0.00 N ATOM 1101 CZ ARG A 72 -8.346 -7.516 -11.467 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -8.894 -8.490 -12.187 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.631 -6.578 -12.074 1.00 0.00 N ATOM 0 H ARG A 72 -8.988 -8.934 -6.384 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.042 -11.644 -7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.297 -9.192 -7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.899 -10.758 -8.631 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.071 -9.933 -10.407 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.423 -10.610 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.293 -8.517 -9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.332 -8.168 -8.347 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.093 -6.704 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.449 -9.213 -11.729 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.760 -8.514 -13.198 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.211 -5.825 -11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.502 -6.610 -13.085 1.00 0.00 H new ATOM 1117 N HIS A 73 -7.103 -10.670 -5.111 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.124 -11.126 -4.126 1.00 0.00 C ATOM 1119 C HIS A 73 -6.801 -11.475 -2.800 1.00 0.00 C ATOM 1120 O HIS A 73 -7.715 -10.778 -2.358 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.049 -10.057 -3.917 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.802 -9.228 -5.141 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.983 -7.908 -5.368 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.335 -9.758 -6.324 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.627 -7.667 -6.672 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.240 -8.798 -7.227 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.514 -9.758 -4.909 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.650 -12.030 -4.507 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.348 -9.404 -3.097 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.118 -10.539 -3.617 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.086 -10.796 -6.488 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.659 -6.706 -7.164 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.922 -8.913 -8.189 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.368 -12.575 -2.151 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.946 -13.022 -0.878 1.00 0.00 C ATOM 1137 C PRO A 74 -6.941 -11.932 0.194 1.00 0.00 C ATOM 1138 O PRO A 74 -7.977 -11.336 0.483 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.053 -14.200 -0.465 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.441 -14.682 -1.731 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.293 -13.472 -2.611 1.00 0.00 C ATOM 0 HA PRO A 74 -7.997 -13.290 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.290 -13.886 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.635 -14.986 0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.474 -15.148 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.070 -15.435 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.311 -13.012 -2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.407 -13.726 -3.665 1.00 0.00 H new ATOM 1149 N MET A 75 -5.777 -11.681 0.789 1.00 0.00 N ATOM 1150 CA MET A 75 -5.658 -10.671 1.835 1.00 0.00 C ATOM 1151 C MET A 75 -4.310 -9.950 1.742 1.00 0.00 C ATOM 1152 O MET A 75 -3.553 -9.900 2.711 1.00 0.00 O ATOM 1153 CB MET A 75 -5.809 -11.321 3.218 1.00 0.00 C ATOM 1154 CG MET A 75 -7.079 -12.147 3.384 1.00 0.00 C ATOM 1155 SD MET A 75 -6.784 -13.714 4.225 1.00 0.00 S ATOM 1156 CE MET A 75 -5.645 -14.496 3.085 1.00 0.00 C ATOM 0 H MET A 75 -4.906 -12.162 0.565 1.00 0.00 H new ATOM 0 HA MET A 75 -6.453 -9.939 1.695 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.946 -11.961 3.403 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.795 -10.540 3.978 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.812 -11.569 3.947 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.512 -12.342 2.403 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.869 -15.017 3.646 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.185 -15.211 2.464 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.187 -13.737 2.450 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.017 -9.406 0.565 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.758 -8.700 0.331 1.00 0.00 C ATOM 1168 C LEU A 76 -2.641 -7.448 1.201 1.00 0.00 C ATOM 1169 O LEU A 76 -3.416 -6.507 1.049 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.643 -8.300 -1.140 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.220 -8.258 -1.692 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.243 -8.014 -3.192 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.413 -7.181 -0.986 1.00 0.00 C ATOM 0 H LEU A 76 -4.636 -9.440 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.950 -9.381 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.227 -9.000 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.095 -7.317 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.744 -9.221 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.222 -7.986 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.791 -8.818 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.733 -7.062 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.600 -7.162 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.885 -6.211 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.374 -7.397 0.082 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.662 -7.414 2.124 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.450 -6.261 3.006 1.00 0.00 C ATOM 1187 C PRO A 77 -1.229 -4.962 2.230 1.00 0.00 C ATOM 1188 O PRO A 77 -0.264 -4.823 1.479 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.190 -6.634 3.793 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.126 -8.119 3.727 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.686 -8.489 2.384 1.00 0.00 C ATOM 0 HA PRO A 77 -2.320 -6.071 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.699 -6.180 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.250 -6.286 4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.900 -8.472 3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.705 -8.572 4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.090 -8.524 1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.161 -9.470 2.401 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.135 -4.015 2.438 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.082 -2.709 1.794 1.00 0.00 C ATOM 1201 C VAL A 78 -2.113 -1.606 2.843 1.00 0.00 C ATOM 1202 O VAL A 78 -2.760 -1.746 3.881 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.266 -2.488 0.830 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.960 -1.368 -0.155 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.616 -3.772 0.093 1.00 0.00 C ATOM 0 H VAL A 78 -2.933 -4.133 3.063 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.154 -2.677 1.224 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.131 -2.193 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.809 -1.230 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.775 -0.443 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.076 -1.628 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.454 -3.589 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.754 -4.107 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.892 -4.542 0.814 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.428 -0.507 2.567 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.398 0.619 3.488 1.00 0.00 C ATOM 1217 C ILE A 79 -1.769 1.900 2.759 1.00 0.00 C ATOM 1218 O ILE A 79 -1.077 2.320 1.838 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.012 0.782 4.138 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.491 -0.573 4.651 1.00 0.00 C ATOM 1221 CG2 ILE A 79 -0.073 1.798 5.268 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.613 -1.159 3.824 1.00 0.00 C ATOM 0 H ILE A 79 -0.886 -0.371 1.714 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.124 0.419 4.276 1.00 0.00 H new ATOM 0 HB ILE A 79 0.689 1.150 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.832 -0.458 5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.341 -1.277 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.915 1.902 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.396 2.762 4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.782 1.459 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.916 -2.117 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.271 -1.307 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.463 -0.476 3.827 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.882 2.506 3.155 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.344 3.725 2.503 1.00 0.00 C ATOM 1236 C ILE A 80 -2.884 4.982 3.242 1.00 0.00 C ATOM 1237 O ILE A 80 -2.809 5.003 4.470 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.872 3.719 2.344 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.321 2.366 1.782 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.323 4.857 1.437 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.843 2.103 0.372 1.00 0.00 C ATOM 0 H ILE A 80 -3.476 2.178 3.916 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.892 3.747 1.511 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.333 3.869 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.955 1.573 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.410 2.318 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.408 4.835 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.018 5.810 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.866 4.742 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.200 1.127 0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.231 2.874 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.753 2.118 0.349 1.00 0.00 H new ATOM 1253 N MET A 81 -2.545 6.015 2.470 1.00 0.00 N ATOM 1254 CA MET A 81 -2.054 7.277 3.023 1.00 0.00 C ATOM 1255 C MET A 81 -3.123 8.022 3.831 1.00 0.00 C ATOM 1256 O MET A 81 -2.801 8.711 4.797 1.00 0.00 O ATOM 1257 CB MET A 81 -1.528 8.172 1.893 1.00 0.00 C ATOM 1258 CG MET A 81 -2.605 8.683 0.950 1.00 0.00 C ATOM 1259 SD MET A 81 -2.163 10.252 0.180 1.00 0.00 S ATOM 1260 CE MET A 81 -3.761 11.058 0.112 1.00 0.00 C ATOM 0 H MET A 81 -2.602 6.001 1.452 1.00 0.00 H new ATOM 0 HA MET A 81 -1.245 7.035 3.712 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.010 9.025 2.332 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.791 7.614 1.316 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.786 7.940 0.174 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.538 8.803 1.500 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.625 12.139 0.146 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.267 10.785 -0.814 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.365 10.741 0.963 1.00 0.00 H new ATOM 1270 N THR A 82 -4.386 7.889 3.438 1.00 0.00 N ATOM 1271 CA THR A 82 -5.482 8.559 4.147 1.00 0.00 C ATOM 1272 C THR A 82 -6.769 7.735 4.089 1.00 0.00 C ATOM 1273 O THR A 82 -6.848 6.749 3.359 1.00 0.00 O ATOM 1274 CB THR A 82 -5.719 9.962 3.577 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.491 10.620 3.328 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.520 10.852 4.499 1.00 0.00 C ATOM 0 H THR A 82 -4.680 7.328 2.638 1.00 0.00 H new ATOM 0 HA THR A 82 -5.190 8.653 5.193 1.00 0.00 H new ATOM 0 HB THR A 82 -6.281 9.804 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.643 11.587 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.652 11.830 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.496 10.402 4.682 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.990 10.967 5.445 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.777 8.137 4.868 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.052 7.420 4.895 1.00 0.00 C ATOM 1286 C ALA A 83 -10.241 8.364 5.076 1.00 0.00 C ATOM 1287 O ALA A 83 -11.033 8.208 6.005 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.043 6.391 6.014 1.00 0.00 C ATOM 0 H ALA A 83 -7.735 8.949 5.484 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.167 6.924 3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.995 5.861 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.234 5.680 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.893 6.894 6.969 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.369 9.346 4.190 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.468 10.305 4.279 1.00 0.00 C ATOM 1296 C HIS A 84 -12.612 9.954 3.321 1.00 0.00 C ATOM 1297 O HIS A 84 -12.519 9.008 2.540 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.955 11.717 4.003 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.268 11.854 2.684 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -10.920 11.709 1.479 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.978 12.124 2.382 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -10.062 11.880 0.491 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.876 12.134 1.014 1.00 0.00 N ATOM 0 H HIS A 84 -9.732 9.500 3.408 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.867 10.259 5.292 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.793 12.413 4.041 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.264 12.005 4.795 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.178 12.299 3.086 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.290 11.822 -0.563 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -8.021 12.309 0.486 1.00 0.00 H new ATOM 1312 N SER A 85 -13.687 10.738 3.395 1.00 0.00 N ATOM 1313 CA SER A 85 -14.865 10.544 2.549 1.00 0.00 C ATOM 1314 C SER A 85 -15.603 9.246 2.884 1.00 0.00 C ATOM 1315 O SER A 85 -16.633 9.270 3.556 1.00 0.00 O ATOM 1316 CB SER A 85 -14.479 10.565 1.070 1.00 0.00 C ATOM 1317 OG SER A 85 -15.556 11.020 0.268 1.00 0.00 O ATOM 0 H SER A 85 -13.766 11.523 4.041 1.00 0.00 H new ATOM 0 HA SER A 85 -15.544 11.373 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.615 11.213 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.183 9.565 0.754 1.00 0.00 H new ATOM 0 HG SER A 85 -15.607 10.480 -0.548 1.00 0.00 H new ATOM 1323 N ASP A 86 -15.083 8.118 2.404 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.716 6.825 2.653 1.00 0.00 C ATOM 1325 C ASP A 86 -14.773 5.880 3.392 1.00 0.00 C ATOM 1326 O ASP A 86 -14.296 4.896 2.829 1.00 0.00 O ATOM 1327 CB ASP A 86 -16.169 6.195 1.333 1.00 0.00 C ATOM 1328 CG ASP A 86 -17.566 5.615 1.424 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -17.814 4.810 2.347 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -18.412 5.964 0.575 1.00 0.00 O ATOM 0 H ASP A 86 -14.231 8.073 1.845 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.588 6.993 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -16.141 6.947 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.469 5.409 1.049 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.516 6.185 4.659 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.637 5.365 5.486 1.00 0.00 C ATOM 1337 C LEU A 87 -14.103 3.910 5.504 1.00 0.00 C ATOM 1338 O LEU A 87 -13.326 2.998 5.775 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.592 5.935 6.913 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.707 5.194 7.928 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -13.411 3.957 8.457 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.352 4.829 7.335 1.00 0.00 C ATOM 0 H LEU A 87 -14.905 6.997 5.138 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.634 5.387 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.250 6.968 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.610 5.957 7.302 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.529 5.874 8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.765 3.449 9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.339 4.249 8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.635 3.284 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.756 4.307 8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.496 4.182 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.833 5.737 7.027 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.378 3.695 5.210 1.00 0.00 N ATOM 1355 CA ASP A 88 -15.947 2.349 5.197 1.00 0.00 C ATOM 1356 C ASP A 88 -15.117 1.392 4.345 1.00 0.00 C ATOM 1357 O ASP A 88 -14.676 0.348 4.826 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.382 2.388 4.680 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.255 1.328 5.324 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -17.854 0.145 5.318 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.338 1.682 5.834 1.00 0.00 O ATOM 0 H ASP A 88 -16.041 4.434 4.977 1.00 0.00 H new ATOM 0 HA ASP A 88 -15.938 1.980 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.808 3.373 4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.380 2.247 3.599 1.00 0.00 H new ATOM 1366 N ALA A 89 -14.913 1.743 3.078 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.142 0.897 2.177 1.00 0.00 C ATOM 1368 C ALA A 89 -12.724 0.687 2.698 1.00 0.00 C ATOM 1369 O ALA A 89 -12.050 -0.270 2.318 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.116 1.484 0.771 1.00 0.00 C ATOM 0 H ALA A 89 -15.268 2.601 2.656 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.632 -0.076 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.534 0.835 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.135 1.564 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.660 2.474 0.798 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.279 1.580 3.579 1.00 0.00 N ATOM 1377 CA ALA A 90 -10.944 1.476 4.154 1.00 0.00 C ATOM 1378 C ALA A 90 -10.851 0.281 5.088 1.00 0.00 C ATOM 1379 O ALA A 90 -10.075 -0.645 4.856 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.567 2.749 4.900 1.00 0.00 C ATOM 0 H ALA A 90 -12.821 2.379 3.908 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.241 1.336 3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.566 2.643 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.584 3.593 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.280 2.923 5.706 1.00 0.00 H new ATOM 1386 N VAL A 91 -11.649 0.304 6.152 1.00 0.00 N ATOM 1387 CA VAL A 91 -11.644 -0.785 7.118 1.00 0.00 C ATOM 1388 C VAL A 91 -11.865 -2.124 6.426 1.00 0.00 C ATOM 1389 O VAL A 91 -11.162 -3.097 6.701 1.00 0.00 O ATOM 1390 CB VAL A 91 -12.708 -0.597 8.211 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -12.459 -1.564 9.356 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -12.716 0.840 8.709 1.00 0.00 C ATOM 0 H VAL A 91 -12.301 1.059 6.364 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.663 -0.775 7.593 1.00 0.00 H new ATOM 0 HB VAL A 91 -13.688 -0.811 7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.219 -1.422 10.124 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.506 -2.588 8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.473 -1.378 9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.476 0.953 9.482 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.738 1.087 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.940 1.511 7.880 1.00 0.00 H new ATOM 1402 N SER A 92 -12.825 -2.165 5.506 1.00 0.00 N ATOM 1403 CA SER A 92 -13.102 -3.386 4.763 1.00 0.00 C ATOM 1404 C SER A 92 -11.862 -3.806 3.986 1.00 0.00 C ATOM 1405 O SER A 92 -11.673 -4.980 3.676 1.00 0.00 O ATOM 1406 CB SER A 92 -14.276 -3.190 3.805 1.00 0.00 C ATOM 1407 OG SER A 92 -15.290 -2.400 4.397 1.00 0.00 O ATOM 0 H SER A 92 -13.419 -1.373 5.260 1.00 0.00 H new ATOM 0 HA SER A 92 -13.370 -4.169 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.927 -2.713 2.890 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.685 -4.160 3.523 1.00 0.00 H new ATOM 0 HG SER A 92 -15.036 -1.455 4.353 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.017 -2.824 3.685 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.785 -3.057 2.954 1.00 0.00 C ATOM 1415 C ALA A 93 -8.725 -3.689 3.835 1.00 0.00 C ATOM 1416 O ALA A 93 -8.094 -4.679 3.466 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.264 -1.751 2.382 1.00 0.00 C ATOM 0 H ALA A 93 -11.170 -1.849 3.942 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.007 -3.750 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.339 -1.936 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.007 -1.328 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.071 -1.050 3.194 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.525 -3.095 4.999 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.535 -3.565 5.946 1.00 0.00 C ATOM 1425 C TYR A 94 -7.991 -4.852 6.620 1.00 0.00 C ATOM 1426 O TYR A 94 -7.173 -5.691 6.995 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.248 -2.449 6.937 1.00 0.00 C ATOM 1428 CG TYR A 94 -7.609 -2.771 8.348 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -6.817 -3.614 9.087 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -8.729 -2.217 8.931 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -7.126 -3.907 10.400 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -9.057 -2.499 10.241 1.00 0.00 C ATOM 1433 CZ TYR A 94 -8.250 -3.346 10.975 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.567 -3.629 12.286 1.00 0.00 O ATOM 0 H TYR A 94 -9.045 -2.275 5.312 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.607 -3.814 5.431 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.187 -2.204 6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.794 -1.557 6.629 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.940 -4.054 8.635 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.357 -1.554 8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.494 -4.569 10.973 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.937 -2.061 10.689 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.387 -3.153 12.534 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.297 -5.011 6.748 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.852 -6.212 7.354 1.00 0.00 C ATOM 1446 C GLN A 95 -9.814 -7.376 6.368 1.00 0.00 C ATOM 1447 O GLN A 95 -9.550 -8.517 6.749 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.279 -5.962 7.831 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.266 -5.713 6.710 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.799 -6.989 6.085 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.489 -8.092 6.535 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.607 -6.842 5.039 1.00 0.00 N ATOM 0 H GLN A 95 -9.991 -4.328 6.443 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.242 -6.473 8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.613 -6.822 8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.282 -5.103 8.502 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.102 -5.128 7.094 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.785 -5.112 5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.837 -5.908 4.700 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.997 -7.663 4.576 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.067 -7.082 5.094 1.00 0.00 N ATOM 1462 CA GLN A 96 -10.050 -8.109 4.061 1.00 0.00 C ATOM 1463 C GLN A 96 -8.622 -8.541 3.741 1.00 0.00 C ATOM 1464 O GLN A 96 -8.409 -9.600 3.148 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.749 -7.617 2.788 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.038 -6.463 2.105 1.00 0.00 C ATOM 1467 CD GLN A 96 -10.942 -5.685 1.167 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -12.167 -5.757 1.263 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -10.336 -4.934 0.252 1.00 0.00 N ATOM 0 H GLN A 96 -10.285 -6.145 4.756 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.594 -8.972 4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.832 -8.447 2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.764 -7.309 3.038 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.642 -5.787 2.863 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.186 -6.848 1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.317 -4.905 0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.890 -4.387 -0.407 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.641 -7.728 4.138 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.258 -8.078 3.878 1.00 0.00 C ATOM 1480 C GLY A 97 -5.292 -6.924 4.057 1.00 0.00 C ATOM 1481 O GLY A 97 -4.145 -7.136 4.454 1.00 0.00 O ATOM 0 H GLY A 97 -7.780 -6.845 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.967 -8.890 4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.174 -8.456 2.859 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.728 -5.705 3.756 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.845 -4.555 3.886 1.00 0.00 C ATOM 1487 C ALA A 98 -4.327 -4.414 5.318 1.00 0.00 C ATOM 1488 O ALA A 98 -4.947 -4.905 6.261 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.513 -3.269 3.413 1.00 0.00 C ATOM 0 H ALA A 98 -6.669 -5.491 3.427 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.989 -4.732 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.820 -2.436 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.791 -3.368 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.406 -3.082 4.009 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.177 -3.762 5.473 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.574 -3.589 6.787 1.00 0.00 C ATOM 1497 C PHE A 99 -3.386 -2.640 7.660 1.00 0.00 C ATOM 1498 O PHE A 99 -3.758 -2.986 8.782 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.147 -3.060 6.653 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.384 -3.094 7.945 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.258 -4.277 8.656 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.198 -1.945 8.455 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.433 -4.315 9.850 1.00 0.00 C ATOM 1504 CE2 PHE A 99 0.894 -1.976 9.649 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.011 -3.162 10.347 1.00 0.00 C ATOM 0 H PHE A 99 -2.648 -3.347 4.706 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.559 -4.567 7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.615 -3.651 5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.179 -2.035 6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.706 -5.181 8.271 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.107 -1.015 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.522 -5.243 10.395 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.346 -1.074 10.035 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.554 -3.188 11.280 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.653 -1.441 7.145 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.415 -0.440 7.891 1.00 0.00 C ATOM 1517 C ASP A 100 -4.560 0.858 7.084 1.00 0.00 C ATOM 1518 O ASP A 100 -4.401 0.865 5.861 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.733 -0.159 9.238 1.00 0.00 C ATOM 1520 CG ASP A 100 -2.419 0.580 9.083 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.754 0.391 8.044 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -2.056 1.343 10.001 1.00 0.00 O ATOM 0 H ASP A 100 -3.354 -1.139 6.218 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.414 -0.835 8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.404 0.428 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.556 -1.102 9.755 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.861 1.956 7.781 1.00 0.00 N ATOM 1528 CA TYR A 101 -5.032 3.258 7.138 1.00 0.00 C ATOM 1529 C TYR A 101 -4.328 4.357 7.932 1.00 0.00 C ATOM 1530 O TYR A 101 -4.154 4.243 9.146 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.518 3.593 7.004 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.103 3.272 5.649 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.392 1.964 5.288 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.385 4.283 4.740 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.947 1.673 4.057 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.936 4.000 3.508 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.218 2.695 3.173 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.781 2.411 1.950 1.00 0.00 O ATOM 0 H TYR A 101 -4.991 1.968 8.793 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.584 3.203 6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.073 3.046 7.766 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.660 4.655 7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.180 1.162 5.979 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.169 5.308 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.167 0.650 3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.145 4.797 2.810 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.488 3.076 1.293 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.932 5.422 7.242 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.250 6.543 7.884 1.00 0.00 C ATOM 1550 C LEU A 102 -4.200 7.728 8.061 1.00 0.00 C ATOM 1551 O LEU A 102 -4.710 8.267 7.085 1.00 0.00 O ATOM 1552 CB LEU A 102 -2.038 6.971 7.049 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.705 7.002 7.798 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.528 5.745 8.630 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.444 7.156 6.816 1.00 0.00 C ATOM 0 H LEU A 102 -4.071 5.533 6.238 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.913 6.218 8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.944 6.292 6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.230 7.964 6.642 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.706 7.859 8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.427 5.787 9.155 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.338 5.672 9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.545 4.872 7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.388 7.177 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.444 6.316 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.325 8.086 6.260 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.450 8.158 9.310 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.340 9.286 9.578 1.00 0.00 C ATOM 1569 C PRO A 103 -4.722 10.622 9.167 1.00 0.00 C ATOM 1570 O PRO A 103 -5.096 11.196 8.145 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.563 9.232 11.093 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.403 8.471 11.646 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.883 7.583 10.544 1.00 0.00 C ATOM 0 HA PRO A 103 -6.265 9.214 9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.611 10.235 11.517 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.505 8.739 11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.625 9.153 11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.709 7.876 12.507 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.793 7.580 10.517 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.201 6.550 10.683 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.777 11.111 9.964 1.00 0.00 N ATOM 1582 CA LYS A 104 -3.115 12.380 9.674 1.00 0.00 C ATOM 1583 C LYS A 104 -1.664 12.168 9.231 1.00 0.00 C ATOM 1584 O LYS A 104 -1.274 12.604 8.147 1.00 0.00 O ATOM 1585 CB LYS A 104 -3.159 13.297 10.896 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.760 14.663 10.608 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.301 15.314 11.874 1.00 0.00 C ATOM 1588 CE LYS A 104 -5.622 16.027 11.618 1.00 0.00 C ATOM 1589 NZ LYS A 104 -6.713 15.514 12.493 1.00 0.00 N ATOM 0 H LYS A 104 -3.452 10.650 10.814 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.654 12.852 8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.738 12.813 11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.147 13.428 11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.003 15.308 10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.563 14.562 9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.440 14.554 12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.571 16.027 12.258 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.495 17.096 11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.906 15.900 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.594 16.026 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.853 14.499 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.455 15.658 13.490 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.838 11.501 10.063 1.00 0.00 N ATOM 1604 CA PRO A 105 0.570 11.252 9.736 1.00 0.00 C ATOM 1605 C PRO A 105 0.748 10.604 8.369 1.00 0.00 C ATOM 1606 O PRO A 105 -0.149 9.923 7.872 1.00 0.00 O ATOM 1607 CB PRO A 105 1.030 10.297 10.838 1.00 0.00 C ATOM 1608 CG PRO A 105 0.124 10.576 11.984 1.00 0.00 C ATOM 1609 CD PRO A 105 -1.203 10.941 11.381 1.00 0.00 C ATOM 0 HA PRO A 105 1.141 12.179 9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.955 9.258 10.518 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.072 10.474 11.105 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.032 9.703 12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.511 11.389 12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.852 10.071 11.282 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.736 11.669 11.993 1.00 0.00 H new ATOM 1617 N PHE A 106 1.915 10.819 7.766 1.00 0.00 N ATOM 1618 CA PHE A 106 2.218 10.253 6.458 1.00 0.00 C ATOM 1619 C PHE A 106 3.723 10.318 6.160 1.00 0.00 C ATOM 1620 O PHE A 106 4.512 9.688 6.862 1.00 0.00 O ATOM 1621 CB PHE A 106 1.391 10.956 5.372 1.00 0.00 C ATOM 1622 CG PHE A 106 1.503 10.313 4.021 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.192 8.974 3.847 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.927 11.045 2.925 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.300 8.380 2.606 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.038 10.456 1.681 1.00 0.00 C ATOM 1627 CZ PHE A 106 1.725 9.121 1.521 1.00 0.00 C ATOM 0 H PHE A 106 2.666 11.382 8.165 1.00 0.00 H new ATOM 0 HA PHE A 106 1.941 9.199 6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.344 10.967 5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.712 11.995 5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.861 8.389 4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.174 12.090 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.052 7.336 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.369 11.039 0.834 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.812 8.657 0.550 1.00 0.00 H new ATOM 1637 N ASP A 107 4.126 11.069 5.127 1.00 0.00 N ATOM 1638 CA ASP A 107 5.540 11.185 4.760 1.00 0.00 C ATOM 1639 C ASP A 107 6.244 9.826 4.807 1.00 0.00 C ATOM 1640 O ASP A 107 5.633 8.808 5.124 1.00 0.00 O ATOM 1641 CB ASP A 107 6.243 12.178 5.684 1.00 0.00 C ATOM 1642 CG ASP A 107 6.261 11.705 7.122 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.028 10.772 7.425 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.502 12.262 7.941 1.00 0.00 O ATOM 0 H ASP A 107 3.493 11.604 4.533 1.00 0.00 H new ATOM 0 HA ASP A 107 5.592 11.551 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.266 12.330 5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.741 13.144 5.627 1.00 0.00 H new ATOM 1649 N ILE A 108 7.531 9.807 4.482 1.00 0.00 N ATOM 1650 CA ILE A 108 8.293 8.565 4.486 1.00 0.00 C ATOM 1651 C ILE A 108 8.476 8.018 5.896 1.00 0.00 C ATOM 1652 O ILE A 108 8.341 6.820 6.130 1.00 0.00 O ATOM 1653 CB ILE A 108 9.662 8.740 3.787 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.686 7.960 2.477 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.814 8.296 4.677 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.510 8.261 1.571 1.00 0.00 C ATOM 0 H ILE A 108 8.066 10.633 4.214 1.00 0.00 H new ATOM 0 HA ILE A 108 7.713 7.836 3.920 1.00 0.00 H new ATOM 0 HB ILE A 108 9.792 9.802 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.611 8.186 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.699 6.893 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.757 8.435 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.819 8.891 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.693 7.243 4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.593 7.671 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.582 8.008 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.507 9.321 1.318 1.00 0.00 H new ATOM 1668 N ASP A 109 8.800 8.898 6.823 1.00 0.00 N ATOM 1669 CA ASP A 109 9.024 8.500 8.213 1.00 0.00 C ATOM 1670 C ASP A 109 7.886 7.623 8.737 1.00 0.00 C ATOM 1671 O ASP A 109 8.118 6.496 9.169 1.00 0.00 O ATOM 1672 CB ASP A 109 9.201 9.730 9.106 1.00 0.00 C ATOM 1673 CG ASP A 109 10.661 10.092 9.302 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.507 9.175 9.292 1.00 0.00 O ATOM 1675 OD2 ASP A 109 10.957 11.295 9.466 1.00 0.00 O ATOM 0 H ASP A 109 8.916 9.896 6.646 1.00 0.00 H new ATOM 0 HA ASP A 109 9.941 7.911 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.675 10.576 8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.742 9.541 10.076 1.00 0.00 H new ATOM 1680 N GLU A 110 6.659 8.140 8.707 1.00 0.00 N ATOM 1681 CA GLU A 110 5.510 7.385 9.189 1.00 0.00 C ATOM 1682 C GLU A 110 5.093 6.317 8.188 1.00 0.00 C ATOM 1683 O GLU A 110 4.612 5.251 8.573 1.00 0.00 O ATOM 1684 CB GLU A 110 4.335 8.314 9.504 1.00 0.00 C ATOM 1685 CG GLU A 110 4.637 9.307 10.610 1.00 0.00 C ATOM 1686 CD GLU A 110 4.885 8.628 11.943 1.00 0.00 C ATOM 1687 OE1 GLU A 110 5.978 8.051 12.120 1.00 0.00 O ATOM 1688 OE2 GLU A 110 3.986 8.673 12.810 1.00 0.00 O ATOM 0 H GLU A 110 6.438 9.072 8.356 1.00 0.00 H new ATOM 0 HA GLU A 110 5.808 6.886 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.059 8.859 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.472 7.713 9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.512 9.896 10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.803 10.002 10.709 1.00 0.00 H new ATOM 1695 N ALA A 111 5.289 6.600 6.909 1.00 0.00 N ATOM 1696 CA ALA A 111 4.943 5.649 5.863 1.00 0.00 C ATOM 1697 C ALA A 111 5.833 4.418 5.952 1.00 0.00 C ATOM 1698 O ALA A 111 5.347 3.297 6.102 1.00 0.00 O ATOM 1699 CB ALA A 111 5.056 6.295 4.490 1.00 0.00 C ATOM 0 H ALA A 111 5.684 7.477 6.571 1.00 0.00 H new ATOM 0 HA ALA A 111 3.908 5.339 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.793 5.567 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.377 7.146 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.079 6.636 4.331 1.00 0.00 H new ATOM 1705 N VAL A 112 7.143 4.632 5.876 1.00 0.00 N ATOM 1706 CA VAL A 112 8.092 3.534 5.968 1.00 0.00 C ATOM 1707 C VAL A 112 7.985 2.844 7.320 1.00 0.00 C ATOM 1708 O VAL A 112 8.173 1.633 7.438 1.00 0.00 O ATOM 1709 CB VAL A 112 9.543 4.003 5.763 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.486 2.811 5.796 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.674 4.763 4.453 1.00 0.00 C ATOM 0 H VAL A 112 7.567 5.551 5.752 1.00 0.00 H new ATOM 0 HA VAL A 112 7.838 2.835 5.171 1.00 0.00 H new ATOM 0 HB VAL A 112 9.814 4.679 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.510 3.153 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.405 2.310 6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.220 2.114 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.706 5.088 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.391 4.113 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.019 5.634 4.471 1.00 0.00 H new ATOM 1721 N ALA A 113 7.678 3.630 8.332 1.00 0.00 N ATOM 1722 CA ALA A 113 7.531 3.119 9.685 1.00 0.00 C ATOM 1723 C ALA A 113 6.394 2.115 9.755 1.00 0.00 C ATOM 1724 O ALA A 113 6.520 1.045 10.351 1.00 0.00 O ATOM 1725 CB ALA A 113 7.256 4.268 10.633 1.00 0.00 C ATOM 0 H ALA A 113 7.524 4.634 8.244 1.00 0.00 H new ATOM 0 HA ALA A 113 8.455 2.619 9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.146 3.884 11.647 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.086 4.974 10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.338 4.774 10.335 1.00 0.00 H new ATOM 1731 N LEU A 114 5.279 2.492 9.153 1.00 0.00 N ATOM 1732 CA LEU A 114 4.089 1.662 9.140 1.00 0.00 C ATOM 1733 C LEU A 114 4.208 0.498 8.159 1.00 0.00 C ATOM 1734 O LEU A 114 3.496 -0.498 8.288 1.00 0.00 O ATOM 1735 CB LEU A 114 2.876 2.525 8.792 1.00 0.00 C ATOM 1736 CG LEU A 114 1.527 1.808 8.812 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.122 1.442 10.233 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.471 2.689 8.174 1.00 0.00 C ATOM 0 H LEU A 114 5.174 3.379 8.661 1.00 0.00 H new ATOM 0 HA LEU A 114 3.968 1.230 10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.834 3.360 9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.027 2.949 7.799 1.00 0.00 H new ATOM 0 HG LEU A 114 1.618 0.883 8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.158 0.933 10.217 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.874 0.783 10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.044 2.348 10.834 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.490 2.175 8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.392 3.623 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.751 2.904 7.143 1.00 0.00 H new ATOM 1750 N VAL A 115 5.091 0.626 7.171 1.00 0.00 N ATOM 1751 CA VAL A 115 5.255 -0.439 6.180 1.00 0.00 C ATOM 1752 C VAL A 115 6.107 -1.587 6.711 1.00 0.00 C ATOM 1753 O VAL A 115 5.800 -2.756 6.478 1.00 0.00 O ATOM 1754 CB VAL A 115 5.845 0.077 4.843 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.330 0.386 4.964 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.600 -0.935 3.734 1.00 0.00 C ATOM 0 H VAL A 115 5.693 1.438 7.035 1.00 0.00 H new ATOM 0 HA VAL A 115 4.250 -0.813 5.983 1.00 0.00 H new ATOM 0 HB VAL A 115 5.337 1.008 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.706 0.745 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.481 1.153 5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.868 -0.518 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.019 -0.560 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.077 -1.880 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.528 -1.090 3.614 1.00 0.00 H new ATOM 1766 N GLU A 116 7.179 -1.251 7.420 1.00 0.00 N ATOM 1767 CA GLU A 116 8.068 -2.263 7.977 1.00 0.00 C ATOM 1768 C GLU A 116 7.356 -3.074 9.050 1.00 0.00 C ATOM 1769 O GLU A 116 7.476 -4.299 9.099 1.00 0.00 O ATOM 1770 CB GLU A 116 9.324 -1.607 8.553 1.00 0.00 C ATOM 1771 CG GLU A 116 10.294 -1.124 7.487 1.00 0.00 C ATOM 1772 CD GLU A 116 11.554 -0.519 8.076 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.480 0.614 8.597 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.613 -1.177 8.012 1.00 0.00 O ATOM 0 H GLU A 116 7.453 -0.289 7.622 1.00 0.00 H new ATOM 0 HA GLU A 116 8.362 -2.940 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.031 -0.763 9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.833 -2.320 9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.564 -1.960 6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.799 -0.383 6.859 1.00 0.00 H new ATOM 1781 N ARG A 117 6.607 -2.384 9.903 1.00 0.00 N ATOM 1782 CA ARG A 117 5.863 -3.041 10.968 1.00 0.00 C ATOM 1783 C ARG A 117 4.850 -4.019 10.383 1.00 0.00 C ATOM 1784 O ARG A 117 4.433 -4.972 11.041 1.00 0.00 O ATOM 1785 CB ARG A 117 5.162 -2.003 11.845 1.00 0.00 C ATOM 1786 CG ARG A 117 6.131 -1.093 12.585 1.00 0.00 C ATOM 1787 CD ARG A 117 5.411 0.039 13.301 1.00 0.00 C ATOM 1788 NE ARG A 117 5.799 0.124 14.710 1.00 0.00 N ATOM 1789 CZ ARG A 117 5.906 1.266 15.389 1.00 0.00 C ATOM 1790 NH1 ARG A 117 5.634 2.427 14.805 1.00 0.00 N ATOM 1791 NH2 ARG A 117 6.283 1.245 16.662 1.00 0.00 N ATOM 0 H ARG A 117 6.500 -1.370 9.877 1.00 0.00 H new ATOM 0 HA ARG A 117 6.563 -3.601 11.588 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.505 -1.395 11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.530 -2.516 12.570 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.698 -1.678 13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.850 -0.677 11.879 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.634 0.983 12.805 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.334 -0.112 13.229 1.00 0.00 H new ATOM 0 HE ARG A 117 6.000 -0.746 15.203 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.340 2.450 13.828 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.719 3.296 15.333 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.490 0.356 17.118 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.366 2.117 17.184 1.00 0.00 H new ATOM 1805 N ALA A 118 4.459 -3.774 9.137 1.00 0.00 N ATOM 1806 CA ALA A 118 3.502 -4.627 8.449 1.00 0.00 C ATOM 1807 C ALA A 118 4.130 -5.964 8.074 1.00 0.00 C ATOM 1808 O ALA A 118 3.557 -7.023 8.326 1.00 0.00 O ATOM 1809 CB ALA A 118 2.970 -3.923 7.208 1.00 0.00 C ATOM 0 H ALA A 118 4.794 -2.986 8.582 1.00 0.00 H new ATOM 0 HA ALA A 118 2.672 -4.824 9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.255 -4.570 6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.477 -2.995 7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.797 -3.698 6.534 1.00 0.00 H new ATOM 1815 N ILE A 119 5.315 -5.907 7.472 1.00 0.00 N ATOM 1816 CA ILE A 119 6.026 -7.109 7.061 1.00 0.00 C ATOM 1817 C ILE A 119 6.530 -7.888 8.270 1.00 0.00 C ATOM 1818 O ILE A 119 6.631 -9.114 8.239 1.00 0.00 O ATOM 1819 CB ILE A 119 7.225 -6.766 6.157 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.807 -5.803 5.046 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.827 -8.028 5.562 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.863 -4.767 4.738 1.00 0.00 C ATOM 0 H ILE A 119 5.803 -5.037 7.258 1.00 0.00 H new ATOM 0 HA ILE A 119 5.318 -7.722 6.503 1.00 0.00 H new ATOM 0 HB ILE A 119 7.982 -6.277 6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.589 -6.372 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.885 -5.299 5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.672 -7.763 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.167 -8.682 6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.074 -8.545 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.509 -4.112 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.064 -4.176 5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.779 -5.265 4.419 1.00 0.00 H new ATOM 1834 N SER A 120 6.847 -7.160 9.329 1.00 0.00 N ATOM 1835 CA SER A 120 7.349 -7.761 10.556 1.00 0.00 C ATOM 1836 C SER A 120 6.243 -8.506 11.297 1.00 0.00 C ATOM 1837 O SER A 120 6.408 -9.667 11.672 1.00 0.00 O ATOM 1838 CB SER A 120 7.951 -6.689 11.464 1.00 0.00 C ATOM 1839 OG SER A 120 8.495 -7.262 12.641 1.00 0.00 O ATOM 0 H SER A 120 6.765 -6.144 9.364 1.00 0.00 H new ATOM 0 HA SER A 120 8.124 -8.478 10.285 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.730 -6.148 10.926 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.184 -5.962 11.731 1.00 0.00 H new ATOM 0 HG SER A 120 8.875 -6.555 13.204 1.00 0.00 H new ATOM 1845 N HIS A 121 5.119 -7.831 11.507 1.00 0.00 N ATOM 1846 CA HIS A 121 3.988 -8.430 12.207 1.00 0.00 C ATOM 1847 C HIS A 121 3.479 -9.665 11.473 1.00 0.00 C ATOM 1848 O HIS A 121 2.853 -10.541 12.070 1.00 0.00 O ATOM 1849 CB HIS A 121 2.858 -7.410 12.357 1.00 0.00 C ATOM 1850 CG HIS A 121 2.955 -6.593 13.608 1.00 0.00 C ATOM 1851 ND1 HIS A 121 4.153 -6.155 14.130 1.00 0.00 N ATOM 1852 CD2 HIS A 121 1.993 -6.135 14.444 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.925 -5.463 15.232 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.623 -5.435 15.445 1.00 0.00 N ATOM 0 H HIS A 121 4.966 -6.869 11.203 1.00 0.00 H new ATOM 0 HA HIS A 121 4.329 -8.736 13.196 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.864 -6.743 11.495 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.902 -7.934 12.348 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.929 -6.291 14.343 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.677 -4.999 15.853 1.00 0.00 H new ATOM 0 HE2 HIS A 121 2.160 -4.970 16.225 1.00 0.00 H new ATOM 1863 N TYR A 122 3.750 -9.729 10.176 1.00 0.00 N ATOM 1864 CA TYR A 122 3.318 -10.856 9.359 1.00 0.00 C ATOM 1865 C TYR A 122 4.041 -12.136 9.764 1.00 0.00 C ATOM 1866 O TYR A 122 3.423 -13.195 9.890 1.00 0.00 O ATOM 1867 CB TYR A 122 3.563 -10.567 7.877 1.00 0.00 C ATOM 1868 CG TYR A 122 2.848 -11.521 6.947 1.00 0.00 C ATOM 1869 CD1 TYR A 122 1.488 -11.771 7.087 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.534 -12.171 5.927 1.00 0.00 C ATOM 1871 CE1 TYR A 122 0.832 -12.642 6.236 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.883 -13.041 5.074 1.00 0.00 C ATOM 1873 CZ TYR A 122 1.534 -13.273 5.233 1.00 0.00 C ATOM 1874 OH TYR A 122 0.886 -14.139 4.384 1.00 0.00 O ATOM 0 H TYR A 122 4.268 -9.013 9.666 1.00 0.00 H new ATOM 0 HA TYR A 122 2.250 -10.997 9.523 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.242 -9.549 7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.634 -10.614 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.935 -11.278 7.872 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.592 -11.993 5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.225 -12.826 6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 122 3.429 -13.537 4.286 1.00 0.00 H new ATOM 0 HH TYR A 122 1.525 -14.498 3.733 1.00 0.00 H new ATOM 1884 N GLN A 123 5.350 -12.035 9.960 1.00 0.00 N ATOM 1885 CA GLN A 123 6.157 -13.184 10.345 1.00 0.00 C ATOM 1886 C GLN A 123 5.944 -13.539 11.812 1.00 0.00 C ATOM 1887 O GLN A 123 5.311 -12.789 12.557 1.00 0.00 O ATOM 1888 CB GLN A 123 7.639 -12.902 10.088 1.00 0.00 C ATOM 1889 CG GLN A 123 8.416 -14.119 9.611 1.00 0.00 C ATOM 1890 CD GLN A 123 9.643 -14.399 10.455 1.00 0.00 C ATOM 1891 OE1 GLN A 123 9.676 -15.362 11.222 1.00 0.00 O ATOM 1892 NE2 GLN A 123 10.661 -13.558 10.319 1.00 0.00 N ATOM 0 H GLN A 123 5.875 -11.167 9.858 1.00 0.00 H new ATOM 0 HA GLN A 123 5.843 -14.033 9.738 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.726 -12.111 9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.094 -12.528 11.005 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.762 -14.991 9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.720 -13.968 8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 123 10.591 -12.773 9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 123 11.513 -13.697 10.862 1.00 0.00 H new ATOM 1901 N GLU A 124 6.475 -14.686 12.221 1.00 0.00 N ATOM 1902 CA GLU A 124 6.343 -15.144 13.601 1.00 0.00 C ATOM 1903 C GLU A 124 7.486 -14.619 14.459 1.00 0.00 C ATOM 1904 O GLU A 124 7.274 -13.831 15.383 1.00 0.00 O ATOM 1905 CB GLU A 124 6.314 -16.674 13.650 1.00 0.00 C ATOM 1906 CG GLU A 124 7.582 -17.322 13.120 1.00 0.00 C ATOM 1907 CD GLU A 124 7.598 -18.824 13.328 1.00 0.00 C ATOM 1908 OE1 GLU A 124 7.051 -19.548 12.468 1.00 0.00 O ATOM 1909 OE2 GLU A 124 8.157 -19.277 14.348 1.00 0.00 O ATOM 0 H GLU A 124 7.002 -15.317 11.617 1.00 0.00 H new ATOM 0 HA GLU A 124 5.406 -14.756 14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.155 -16.994 14.680 1.00 0.00 H new ATOM 0 HB3 GLU A 124 5.463 -17.032 13.071 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.680 -17.105 12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.446 -16.881 13.616 1.00 0.00 H new TER 1916 GLU A 124