USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.316 K(o=-0.32,f=-3.1!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -2.78! C(o=-2.8!,f=-3.6!) USER MOD Single : A 7 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00176 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.6) USER MOD Single : A 27 ASN : amide:sc= 1.01 K(o=1,f=-0.44) USER MOD Single : A 28 ASN : amide:sc= -0.089 K(o=-0.089,f=-1.2!) USER MOD Single : A 31 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.1) USER MOD Single : A 43 CYS SG : rot 180:sc= 0.072 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -4.54! C(o=-4.5!,f=-8.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -174:sc= -5.39! (180deg=-6.09!) USER MOD Single : A 55 THR OG1 : rot 10:sc= 0.812 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -10.4! C(o=-14!,f=-10!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.444 USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0182) USER MOD Single : A 76 SER OG : rot 180:sc= -1.08 USER MOD Single : A 77 MET CE :methyl 167:sc= -0.408 (180deg=-0.666) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.26 K(o=-1.3,f=-3) USER MOD Single : A 87 TYR OH : rot 30:sc= -0.381 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 10:sc= 0.963 USER MOD Single : A 100 ASN : amide:sc= -0.508 K(o=-0.51,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.449 5.825 16.405 1.00 0.00 N ATOM 2 CA MET A 1 -20.361 5.821 17.855 1.00 0.00 C ATOM 3 C MET A 1 -18.978 5.357 18.319 1.00 0.00 C ATOM 4 O MET A 1 -18.783 4.180 18.618 1.00 0.00 O ATOM 5 CB MET A 1 -21.431 4.891 18.430 1.00 0.00 C ATOM 6 CG MET A 1 -22.512 5.687 19.163 1.00 0.00 C ATOM 7 SD MET A 1 -23.602 4.576 20.037 1.00 0.00 S ATOM 8 CE MET A 1 -24.746 5.752 20.740 1.00 0.00 C ATOM 0 H1 MET A 1 -21.396 6.143 16.116 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.733 6.471 16.016 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.282 4.864 16.044 1.00 0.00 H new ATOM 0 HA MET A 1 -20.522 6.838 18.212 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.884 4.311 17.626 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.970 4.180 19.116 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.051 6.383 19.864 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.082 6.283 18.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.500 5.223 21.323 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.206 6.443 21.388 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.232 6.310 19.940 1.00 0.00 H new ATOM 18 N GLN A 2 -18.055 6.306 18.365 1.00 0.00 N ATOM 19 CA GLN A 2 -16.697 6.010 18.787 1.00 0.00 C ATOM 20 C GLN A 2 -15.968 5.210 17.706 1.00 0.00 C ATOM 21 O GLN A 2 -15.727 4.015 17.869 1.00 0.00 O ATOM 22 CB GLN A 2 -16.689 5.262 20.122 1.00 0.00 C ATOM 23 CG GLN A 2 -15.522 5.718 20.999 1.00 0.00 C ATOM 24 CD GLN A 2 -16.025 6.478 22.228 1.00 0.00 C ATOM 25 OE1 GLN A 2 -17.213 6.666 22.431 1.00 0.00 O ATOM 26 NE2 GLN A 2 -15.057 6.904 23.035 1.00 0.00 N ATOM 0 H GLN A 2 -18.221 7.281 18.117 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.169 6.952 18.933 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -17.630 5.434 20.645 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -16.616 4.190 19.942 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.940 4.852 21.315 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.855 6.356 20.420 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.081 6.713 22.807 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -15.290 7.422 23.882 1.00 0.00 H new ATOM 35 N GLU A 3 -15.636 5.902 16.626 1.00 0.00 N ATOM 36 CA GLU A 3 -14.939 5.271 15.518 1.00 0.00 C ATOM 37 C GLU A 3 -13.846 6.198 14.981 1.00 0.00 C ATOM 38 O GLU A 3 -13.936 7.416 15.123 1.00 0.00 O ATOM 39 CB GLU A 3 -15.916 4.876 14.409 1.00 0.00 C ATOM 40 CG GLU A 3 -16.489 3.479 14.655 1.00 0.00 C ATOM 41 CD GLU A 3 -15.753 2.429 13.820 1.00 0.00 C ATOM 42 OE1 GLU A 3 -14.548 2.645 13.571 1.00 0.00 O ATOM 43 OE2 GLU A 3 -16.413 1.434 13.449 1.00 0.00 O ATOM 0 H GLU A 3 -15.837 6.893 16.495 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.467 4.359 15.884 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.727 5.602 14.359 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.407 4.900 13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.407 3.230 15.713 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.550 3.468 14.406 1.00 0.00 H new ATOM 50 N GLN A 4 -12.838 5.585 14.377 1.00 0.00 N ATOM 51 CA GLN A 4 -11.729 6.340 13.819 1.00 0.00 C ATOM 52 C GLN A 4 -11.785 6.312 12.290 1.00 0.00 C ATOM 53 O GLN A 4 -11.483 5.293 11.673 1.00 0.00 O ATOM 54 CB GLN A 4 -10.390 5.804 14.329 1.00 0.00 C ATOM 55 CG GLN A 4 -9.830 6.695 15.440 1.00 0.00 C ATOM 56 CD GLN A 4 -10.703 6.620 16.695 1.00 0.00 C ATOM 57 OE1 GLN A 4 -11.398 7.555 17.055 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.627 5.458 17.337 1.00 0.00 N ATOM 0 H GLN A 4 -12.766 4.574 14.262 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.817 7.376 14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.519 4.788 14.703 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.678 5.752 13.506 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.813 6.386 15.681 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.776 7.726 15.091 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.024 4.717 16.980 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.171 5.308 18.186 1.00 0.00 H new ATOM 67 N ALA A 5 -12.173 7.445 11.724 1.00 0.00 N ATOM 68 CA ALA A 5 -12.272 7.564 10.279 1.00 0.00 C ATOM 69 C ALA A 5 -10.934 7.177 9.647 1.00 0.00 C ATOM 70 O ALA A 5 -9.946 7.897 9.786 1.00 0.00 O ATOM 71 CB ALA A 5 -12.700 8.986 9.912 1.00 0.00 C ATOM 0 H ALA A 5 -12.423 8.289 12.240 1.00 0.00 H new ATOM 0 HA ALA A 5 -13.030 6.884 9.889 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -12.774 9.075 8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.669 9.202 10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.962 9.696 10.285 1.00 0.00 H new ATOM 77 N GLN A 6 -10.944 6.040 8.967 1.00 0.00 N ATOM 78 CA GLN A 6 -9.744 5.548 8.313 1.00 0.00 C ATOM 79 C GLN A 6 -10.009 5.308 6.825 1.00 0.00 C ATOM 80 O GLN A 6 -9.586 4.295 6.271 1.00 0.00 O ATOM 81 CB GLN A 6 -9.233 4.275 8.991 1.00 0.00 C ATOM 82 CG GLN A 6 -10.309 3.188 8.998 1.00 0.00 C ATOM 83 CD GLN A 6 -10.903 3.014 10.397 1.00 0.00 C ATOM 84 OE1 GLN A 6 -12.083 3.221 10.629 1.00 0.00 O ATOM 85 NE2 GLN A 6 -10.022 2.623 11.314 1.00 0.00 N ATOM 0 H GLN A 6 -11.765 5.445 8.855 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.967 6.307 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.347 3.912 8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.931 4.500 10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.099 3.449 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.880 2.244 8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.048 2.467 11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.320 2.479 12.279 1.00 0.00 H new ATOM 94 N GLN A 7 -10.709 6.258 6.221 1.00 0.00 N ATOM 95 CA GLN A 7 -11.036 6.163 4.809 1.00 0.00 C ATOM 96 C GLN A 7 -10.493 7.379 4.055 1.00 0.00 C ATOM 97 O GLN A 7 -11.051 8.471 4.148 1.00 0.00 O ATOM 98 CB GLN A 7 -12.545 6.020 4.604 1.00 0.00 C ATOM 99 CG GLN A 7 -13.281 7.285 5.049 1.00 0.00 C ATOM 100 CD GLN A 7 -14.607 6.938 5.730 1.00 0.00 C ATOM 101 OE1 GLN A 7 -14.919 5.787 5.987 1.00 0.00 O ATOM 102 NE2 GLN A 7 -15.367 7.994 6.005 1.00 0.00 N ATOM 0 H GLN A 7 -11.058 7.097 6.684 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.561 5.268 4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.756 5.823 3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.913 5.163 5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.653 7.853 5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.468 7.924 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.045 8.931 5.763 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.272 7.867 6.458 1.00 0.00 H new ATOM 111 N PHE A 8 -9.411 7.148 3.326 1.00 0.00 N ATOM 112 CA PHE A 8 -8.787 8.211 2.557 1.00 0.00 C ATOM 113 C PHE A 8 -8.766 7.869 1.066 1.00 0.00 C ATOM 114 O PHE A 8 -8.881 6.704 0.691 1.00 0.00 O ATOM 115 CB PHE A 8 -7.347 8.340 3.059 1.00 0.00 C ATOM 116 CG PHE A 8 -7.212 8.288 4.582 1.00 0.00 C ATOM 117 CD1 PHE A 8 -7.424 7.118 5.244 1.00 0.00 C ATOM 118 CD2 PHE A 8 -6.880 9.410 5.275 1.00 0.00 C ATOM 119 CE1 PHE A 8 -7.299 7.069 6.657 1.00 0.00 C ATOM 120 CE2 PHE A 8 -6.755 9.361 6.688 1.00 0.00 C ATOM 121 CZ PHE A 8 -6.967 8.192 7.350 1.00 0.00 C ATOM 0 H PHE A 8 -8.951 6.241 3.252 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.346 9.138 2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.748 7.540 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.931 9.281 2.700 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.687 6.227 4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.711 10.339 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.467 6.140 7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.491 10.252 7.238 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.872 8.155 8.425 1.00 0.00 H new ATOM 131 N ILE A 9 -8.617 8.907 0.256 1.00 0.00 N ATOM 132 CA ILE A 9 -8.579 8.731 -1.186 1.00 0.00 C ATOM 133 C ILE A 9 -7.152 8.388 -1.617 1.00 0.00 C ATOM 134 O ILE A 9 -6.237 9.192 -1.443 1.00 0.00 O ATOM 135 CB ILE A 9 -9.156 9.961 -1.891 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.533 10.320 -1.329 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.191 9.758 -3.407 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.604 9.360 -1.848 1.00 0.00 C ATOM 0 H ILE A 9 -8.521 9.872 0.571 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.211 7.895 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.498 10.807 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.506 10.285 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.789 11.342 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.605 10.646 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.179 9.587 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.814 8.895 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.573 9.637 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.646 9.415 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.358 8.342 -1.545 1.00 0.00 H new ATOM 150 N PHE A 10 -7.006 7.194 -2.170 1.00 0.00 N ATOM 151 CA PHE A 10 -5.705 6.734 -2.627 1.00 0.00 C ATOM 152 C PHE A 10 -5.850 5.688 -3.734 1.00 0.00 C ATOM 153 O PHE A 10 -6.333 4.583 -3.489 1.00 0.00 O ATOM 154 CB PHE A 10 -5.009 6.094 -1.424 1.00 0.00 C ATOM 155 CG PHE A 10 -3.495 5.950 -1.586 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.718 7.056 -1.737 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.925 4.715 -1.578 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.313 6.922 -1.887 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.519 4.581 -1.728 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.743 5.687 -1.879 1.00 0.00 C ATOM 0 H PHE A 10 -7.767 6.530 -2.312 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.135 7.571 -3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.214 6.694 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.441 5.109 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.170 8.037 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.541 3.836 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.697 7.801 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.066 3.600 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.326 5.585 -1.993 1.00 0.00 H new ATOM 170 N LYS A 11 -5.424 6.073 -4.928 1.00 0.00 N ATOM 171 CA LYS A 11 -5.501 5.182 -6.073 1.00 0.00 C ATOM 172 C LYS A 11 -4.099 4.668 -6.409 1.00 0.00 C ATOM 173 O LYS A 11 -3.214 5.450 -6.752 1.00 0.00 O ATOM 174 CB LYS A 11 -6.199 5.874 -7.245 1.00 0.00 C ATOM 175 CG LYS A 11 -7.649 6.216 -6.895 1.00 0.00 C ATOM 176 CD LYS A 11 -8.531 4.965 -6.929 1.00 0.00 C ATOM 177 CE LYS A 11 -9.855 5.208 -6.203 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.979 4.614 -6.962 1.00 0.00 N ATOM 0 H LYS A 11 -5.024 6.990 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.113 4.311 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.660 6.784 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.176 5.226 -8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.691 6.668 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.032 6.955 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.726 4.681 -7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.005 4.132 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.814 4.774 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.018 6.279 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.870 4.788 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.027 5.047 -7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.830 3.589 -7.058 1.00 0.00 H new ATOM 192 N VAL A 12 -3.942 3.358 -6.298 1.00 0.00 N ATOM 193 CA VAL A 12 -2.663 2.731 -6.585 1.00 0.00 C ATOM 194 C VAL A 12 -2.815 1.802 -7.792 1.00 0.00 C ATOM 195 O VAL A 12 -3.790 1.058 -7.888 1.00 0.00 O ATOM 196 CB VAL A 12 -2.140 2.012 -5.340 1.00 0.00 C ATOM 197 CG1 VAL A 12 -2.560 0.541 -5.339 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.621 2.149 -5.224 1.00 0.00 C ATOM 0 H VAL A 12 -4.679 2.713 -6.013 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.919 3.484 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.586 2.488 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.175 0.053 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.648 0.473 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.157 0.047 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.276 1.629 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.148 1.712 -6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.355 3.204 -5.155 1.00 0.00 H new ATOM 208 N THR A 13 -1.837 1.876 -8.682 1.00 0.00 N ATOM 209 CA THR A 13 -1.850 1.051 -9.878 1.00 0.00 C ATOM 210 C THR A 13 -1.893 -0.432 -9.503 1.00 0.00 C ATOM 211 O THR A 13 -1.757 -0.784 -8.332 1.00 0.00 O ATOM 212 CB THR A 13 -0.633 1.428 -10.726 1.00 0.00 C ATOM 213 OG1 THR A 13 0.477 1.195 -9.863 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.567 2.927 -11.021 1.00 0.00 C ATOM 0 H THR A 13 -1.030 2.495 -8.599 1.00 0.00 H new ATOM 0 HA THR A 13 -2.746 1.230 -10.472 1.00 0.00 H new ATOM 0 HB THR A 13 -0.659 0.874 -11.664 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.309 1.412 -10.334 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.315 3.140 -11.625 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.462 3.231 -11.565 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.507 3.480 -10.084 1.00 0.00 H new ATOM 222 N ASP A 14 -2.083 -1.261 -10.519 1.00 0.00 N ATOM 223 CA ASP A 14 -2.146 -2.698 -10.310 1.00 0.00 C ATOM 224 C ASP A 14 -0.733 -3.238 -10.080 1.00 0.00 C ATOM 225 O ASP A 14 -0.554 -4.252 -9.408 1.00 0.00 O ATOM 226 CB ASP A 14 -2.730 -3.407 -11.534 1.00 0.00 C ATOM 227 CG ASP A 14 -4.076 -4.097 -11.301 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.521 -4.091 -10.133 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.628 -4.614 -12.295 1.00 0.00 O ATOM 0 H ASP A 14 -2.195 -0.965 -11.489 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.783 -2.886 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.846 -2.678 -12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.013 -4.151 -11.881 1.00 0.00 H new ATOM 234 N LYS A 15 0.234 -2.536 -10.652 1.00 0.00 N ATOM 235 CA LYS A 15 1.626 -2.932 -10.517 1.00 0.00 C ATOM 236 C LYS A 15 2.049 -2.803 -9.053 1.00 0.00 C ATOM 237 O LYS A 15 2.732 -3.677 -8.521 1.00 0.00 O ATOM 238 CB LYS A 15 2.505 -2.136 -11.484 1.00 0.00 C ATOM 239 CG LYS A 15 3.458 -3.060 -12.245 1.00 0.00 C ATOM 240 CD LYS A 15 4.429 -2.253 -13.110 1.00 0.00 C ATOM 241 CE LYS A 15 4.601 -2.897 -14.487 1.00 0.00 C ATOM 242 NZ LYS A 15 5.559 -4.023 -14.417 1.00 0.00 N ATOM 0 H LYS A 15 0.082 -1.696 -11.210 1.00 0.00 H new ATOM 0 HA LYS A 15 1.753 -3.978 -10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.876 -1.594 -12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.078 -1.392 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.018 -3.673 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.885 -3.741 -12.874 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.059 -1.234 -13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.396 -2.187 -12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.637 -3.254 -14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.956 -2.154 -15.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.664 -4.449 -15.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.482 -3.673 -14.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.205 -4.739 -13.751 1.00 0.00 H new ATOM 256 N ALA A 16 1.627 -1.706 -8.442 1.00 0.00 N ATOM 257 CA ALA A 16 1.954 -1.451 -7.049 1.00 0.00 C ATOM 258 C ALA A 16 1.300 -2.522 -6.173 1.00 0.00 C ATOM 259 O ALA A 16 1.962 -3.131 -5.334 1.00 0.00 O ATOM 260 CB ALA A 16 1.510 -0.037 -6.671 1.00 0.00 C ATOM 0 H ALA A 16 1.061 -0.983 -8.886 1.00 0.00 H new ATOM 0 HA ALA A 16 3.031 -1.507 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.755 0.154 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.024 0.687 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.434 0.057 -6.814 1.00 0.00 H new ATOM 266 N VAL A 17 0.009 -2.718 -6.397 1.00 0.00 N ATOM 267 CA VAL A 17 -0.741 -3.704 -5.638 1.00 0.00 C ATOM 268 C VAL A 17 -0.061 -5.069 -5.772 1.00 0.00 C ATOM 269 O VAL A 17 0.171 -5.751 -4.775 1.00 0.00 O ATOM 270 CB VAL A 17 -2.201 -3.716 -6.095 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.807 -5.114 -5.958 1.00 0.00 C ATOM 272 CG2 VAL A 17 -3.025 -2.683 -5.322 1.00 0.00 C ATOM 0 H VAL A 17 -0.537 -2.211 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.748 -3.447 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.225 -3.443 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.845 -5.095 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.243 -5.817 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.765 -5.428 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.059 -2.712 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.990 -2.913 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.613 -1.688 -5.492 1.00 0.00 H new ATOM 282 N GLU A 18 0.238 -5.426 -7.013 1.00 0.00 N ATOM 283 CA GLU A 18 0.885 -6.697 -7.290 1.00 0.00 C ATOM 284 C GLU A 18 2.255 -6.753 -6.611 1.00 0.00 C ATOM 285 O GLU A 18 2.642 -7.788 -6.071 1.00 0.00 O ATOM 286 CB GLU A 18 1.010 -6.932 -8.796 1.00 0.00 C ATOM 287 CG GLU A 18 -0.279 -7.528 -9.367 1.00 0.00 C ATOM 288 CD GLU A 18 -0.261 -7.510 -10.896 1.00 0.00 C ATOM 289 OE1 GLU A 18 -0.137 -6.396 -11.450 1.00 0.00 O ATOM 290 OE2 GLU A 18 -0.372 -8.611 -11.478 1.00 0.00 O ATOM 0 H GLU A 18 0.044 -4.857 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 18 0.265 -7.495 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.233 -5.990 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.845 -7.604 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.398 -8.552 -9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.137 -6.963 -9.003 1.00 0.00 H new ATOM 297 N GLU A 19 2.952 -5.627 -6.661 1.00 0.00 N ATOM 298 CA GLU A 19 4.271 -5.536 -6.058 1.00 0.00 C ATOM 299 C GLU A 19 4.213 -5.960 -4.589 1.00 0.00 C ATOM 300 O GLU A 19 5.187 -6.485 -4.053 1.00 0.00 O ATOM 301 CB GLU A 19 4.841 -4.123 -6.199 1.00 0.00 C ATOM 302 CG GLU A 19 6.013 -3.907 -5.240 1.00 0.00 C ATOM 303 CD GLU A 19 7.196 -4.805 -5.607 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.493 -4.885 -6.819 1.00 0.00 O ATOM 305 OE2 GLU A 19 7.776 -5.393 -4.669 1.00 0.00 O ATOM 0 H GLU A 19 2.628 -4.770 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 19 4.939 -6.216 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.171 -3.961 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.060 -3.390 -5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.323 -2.862 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.695 -4.118 -4.219 1.00 0.00 H new ATOM 312 N ILE A 20 3.062 -5.716 -3.981 1.00 0.00 N ATOM 313 CA ILE A 20 2.865 -6.066 -2.584 1.00 0.00 C ATOM 314 C ILE A 20 2.862 -7.589 -2.441 1.00 0.00 C ATOM 315 O ILE A 20 3.360 -8.124 -1.451 1.00 0.00 O ATOM 316 CB ILE A 20 1.604 -5.394 -2.037 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.513 -3.939 -2.499 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.535 -5.517 -0.513 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.897 -3.287 -2.534 1.00 0.00 C ATOM 0 H ILE A 20 2.256 -5.280 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 20 3.688 -5.690 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 20 0.736 -5.915 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.062 -3.896 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.861 -3.381 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.629 -5.031 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.519 -6.570 -0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.407 -5.037 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.804 -2.253 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.335 -3.310 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.539 -3.833 -3.225 1.00 0.00 H new ATOM 331 N LYS A 21 2.295 -8.245 -3.443 1.00 0.00 N ATOM 332 CA LYS A 21 2.221 -9.696 -3.440 1.00 0.00 C ATOM 333 C LYS A 21 3.607 -10.274 -3.731 1.00 0.00 C ATOM 334 O LYS A 21 3.920 -11.387 -3.311 1.00 0.00 O ATOM 335 CB LYS A 21 1.138 -10.179 -4.407 1.00 0.00 C ATOM 336 CG LYS A 21 -0.233 -9.619 -4.020 1.00 0.00 C ATOM 337 CD LYS A 21 -1.016 -9.181 -5.259 1.00 0.00 C ATOM 338 CE LYS A 21 -2.438 -9.746 -5.236 1.00 0.00 C ATOM 339 NZ LYS A 21 -2.610 -10.760 -6.300 1.00 0.00 N ATOM 0 H LYS A 21 1.883 -7.798 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 21 1.924 -10.060 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.388 -9.870 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.103 -11.268 -4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.799 -10.376 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.107 -8.771 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.054 -8.093 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.501 -9.519 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.642 -10.193 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.158 -8.940 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.580 -11.133 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.435 -10.323 -7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.935 -11.537 -6.151 1.00 0.00 H new ATOM 353 N LYS A 22 4.400 -9.492 -4.449 1.00 0.00 N ATOM 354 CA LYS A 22 5.746 -9.912 -4.801 1.00 0.00 C ATOM 355 C LYS A 22 6.601 -9.985 -3.534 1.00 0.00 C ATOM 356 O LYS A 22 7.522 -10.796 -3.448 1.00 0.00 O ATOM 357 CB LYS A 22 6.326 -9.000 -5.883 1.00 0.00 C ATOM 358 CG LYS A 22 6.612 -9.783 -7.166 1.00 0.00 C ATOM 359 CD LYS A 22 7.691 -9.092 -8.001 1.00 0.00 C ATOM 360 CE LYS A 22 9.037 -9.806 -7.857 1.00 0.00 C ATOM 361 NZ LYS A 22 10.066 -9.145 -8.689 1.00 0.00 N ATOM 0 H LYS A 22 4.136 -8.570 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 22 5.732 -10.912 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.627 -8.191 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.245 -8.540 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.933 -10.794 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.697 -9.875 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.392 -9.079 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.791 -8.053 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.348 -9.801 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.935 -10.850 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.973 -9.642 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.775 -9.171 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.175 -8.156 -8.386 1.00 0.00 H new ATOM 375 N VAL A 23 6.265 -9.127 -2.582 1.00 0.00 N ATOM 376 CA VAL A 23 6.990 -9.084 -1.324 1.00 0.00 C ATOM 377 C VAL A 23 6.338 -10.048 -0.330 1.00 0.00 C ATOM 378 O VAL A 23 7.019 -10.637 0.508 1.00 0.00 O ATOM 379 CB VAL A 23 7.055 -7.646 -0.806 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.200 -7.617 0.717 1.00 0.00 C ATOM 381 CG2 VAL A 23 8.191 -6.872 -1.479 1.00 0.00 C ATOM 0 H VAL A 23 5.500 -8.456 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 23 8.020 -9.411 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 23 6.116 -7.155 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.244 -6.583 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.344 -8.114 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.116 -8.133 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.215 -5.853 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.141 -7.363 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.027 -6.848 -2.556 1.00 0.00 H new ATOM 391 N ALA A 24 5.026 -10.179 -0.457 1.00 0.00 N ATOM 392 CA ALA A 24 4.274 -11.061 0.419 1.00 0.00 C ATOM 393 C ALA A 24 4.517 -12.514 0.003 1.00 0.00 C ATOM 394 O ALA A 24 4.704 -13.383 0.853 1.00 0.00 O ATOM 395 CB ALA A 24 2.792 -10.682 0.376 1.00 0.00 C ATOM 0 H ALA A 24 4.464 -9.689 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 24 4.608 -10.953 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.228 -11.344 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.670 -9.651 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.421 -10.781 -0.644 1.00 0.00 H new ATOM 401 N GLN A 25 4.505 -12.732 -1.303 1.00 0.00 N ATOM 402 CA GLN A 25 4.722 -14.064 -1.842 1.00 0.00 C ATOM 403 C GLN A 25 6.033 -14.645 -1.309 1.00 0.00 C ATOM 404 O GLN A 25 6.197 -15.863 -1.247 1.00 0.00 O ATOM 405 CB GLN A 25 4.713 -14.045 -3.372 1.00 0.00 C ATOM 406 CG GLN A 25 5.954 -13.337 -3.919 1.00 0.00 C ATOM 407 CD GLN A 25 6.082 -13.543 -5.430 1.00 0.00 C ATOM 408 OE1 GLN A 25 5.237 -14.143 -6.074 1.00 0.00 O ATOM 409 NE2 GLN A 25 7.182 -13.014 -5.957 1.00 0.00 N ATOM 0 H GLN A 25 4.348 -12.008 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 25 3.903 -14.705 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.676 -15.066 -3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.815 -13.540 -3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.896 -12.271 -3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.845 -13.719 -3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.849 -12.524 -5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.359 -13.098 -6.958 1.00 0.00 H new ATOM 418 N GLU A 26 6.934 -13.747 -0.937 1.00 0.00 N ATOM 419 CA GLU A 26 8.225 -14.155 -0.411 1.00 0.00 C ATOM 420 C GLU A 26 8.158 -14.296 1.111 1.00 0.00 C ATOM 421 O GLU A 26 9.139 -14.679 1.747 1.00 0.00 O ATOM 422 CB GLU A 26 9.321 -13.171 -0.822 1.00 0.00 C ATOM 423 CG GLU A 26 10.342 -13.840 -1.745 1.00 0.00 C ATOM 424 CD GLU A 26 11.662 -14.090 -1.012 1.00 0.00 C ATOM 425 OE1 GLU A 26 12.463 -13.132 -0.944 1.00 0.00 O ATOM 426 OE2 GLU A 26 11.840 -15.232 -0.537 1.00 0.00 O ATOM 0 H GLU A 26 6.795 -12.738 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 26 8.477 -15.127 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.875 -12.315 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.824 -12.790 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.941 -14.785 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.519 -13.209 -2.616 1.00 0.00 H new ATOM 433 N ASN A 27 6.990 -13.979 1.652 1.00 0.00 N ATOM 434 CA ASN A 27 6.782 -14.065 3.087 1.00 0.00 C ATOM 435 C ASN A 27 5.570 -14.955 3.370 1.00 0.00 C ATOM 436 O ASN A 27 5.184 -15.135 4.524 1.00 0.00 O ATOM 437 CB ASN A 27 6.506 -12.685 3.688 1.00 0.00 C ATOM 438 CG ASN A 27 7.800 -11.881 3.833 1.00 0.00 C ATOM 439 OD1 ASN A 27 8.591 -12.087 4.739 1.00 0.00 O ATOM 440 ND2 ASN A 27 7.971 -10.957 2.892 1.00 0.00 N ATOM 0 H ASN A 27 6.178 -13.662 1.122 1.00 0.00 H new ATOM 0 HA ASN A 27 7.686 -14.478 3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.805 -12.142 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.032 -12.797 4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.804 -10.368 2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.269 -10.837 2.162 1.00 0.00 H new ATOM 447 N ASN A 28 5.005 -15.488 2.297 1.00 0.00 N ATOM 448 CA ASN A 28 3.844 -16.354 2.415 1.00 0.00 C ATOM 449 C ASN A 28 2.750 -15.630 3.201 1.00 0.00 C ATOM 450 O ASN A 28 2.048 -16.243 4.004 1.00 0.00 O ATOM 451 CB ASN A 28 4.192 -17.641 3.166 1.00 0.00 C ATOM 452 CG ASN A 28 3.252 -18.780 2.767 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.831 -18.902 1.628 1.00 0.00 O ATOM 454 ND2 ASN A 28 2.947 -19.605 3.765 1.00 0.00 N ATOM 0 H ASN A 28 5.329 -15.337 1.342 1.00 0.00 H new ATOM 0 HA ASN A 28 3.505 -16.603 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.223 -17.924 2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.125 -17.469 4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.326 -20.397 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.334 -19.445 4.695 1.00 0.00 H new ATOM 461 N ILE A 29 2.639 -14.335 2.943 1.00 0.00 N ATOM 462 CA ILE A 29 1.642 -13.520 3.616 1.00 0.00 C ATOM 463 C ILE A 29 0.438 -13.327 2.692 1.00 0.00 C ATOM 464 O ILE A 29 0.592 -12.908 1.546 1.00 0.00 O ATOM 465 CB ILE A 29 2.261 -12.208 4.102 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.308 -12.465 5.188 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.179 -11.231 4.568 1.00 0.00 C ATOM 468 CD1 ILE A 29 3.960 -11.157 5.640 1.00 0.00 C ATOM 0 H ILE A 29 3.223 -13.830 2.277 1.00 0.00 H new ATOM 0 HA ILE A 29 1.279 -14.025 4.511 1.00 0.00 H new ATOM 0 HB ILE A 29 2.776 -11.741 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.840 -12.956 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.071 -13.144 4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.646 -10.307 4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.504 -11.013 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.615 -11.676 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.700 -11.367 6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.448 -10.681 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.197 -10.490 6.041 1.00 0.00 H new ATOM 480 N GLU A 30 -0.734 -13.642 3.224 1.00 0.00 N ATOM 481 CA GLU A 30 -1.963 -13.509 2.461 1.00 0.00 C ATOM 482 C GLU A 30 -2.671 -12.200 2.820 1.00 0.00 C ATOM 483 O GLU A 30 -3.798 -11.962 2.389 1.00 0.00 O ATOM 484 CB GLU A 30 -2.883 -14.710 2.689 1.00 0.00 C ATOM 485 CG GLU A 30 -3.122 -15.472 1.384 1.00 0.00 C ATOM 486 CD GLU A 30 -3.518 -16.924 1.662 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.716 -17.612 2.330 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.612 -17.312 1.199 1.00 0.00 O ATOM 0 H GLU A 30 -0.858 -13.989 4.175 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.709 -13.484 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.440 -15.377 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.836 -14.371 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.908 -14.980 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.219 -15.448 0.774 1.00 0.00 H new ATOM 495 N ASN A 31 -1.980 -11.387 3.604 1.00 0.00 N ATOM 496 CA ASN A 31 -2.528 -10.109 4.026 1.00 0.00 C ATOM 497 C ASN A 31 -1.384 -9.121 4.264 1.00 0.00 C ATOM 498 O ASN A 31 -1.141 -8.709 5.397 1.00 0.00 O ATOM 499 CB ASN A 31 -3.311 -10.249 5.332 1.00 0.00 C ATOM 500 CG ASN A 31 -2.670 -11.295 6.247 1.00 0.00 C ATOM 501 OD1 ASN A 31 -2.731 -12.489 6.006 1.00 0.00 O ATOM 502 ND2 ASN A 31 -2.052 -10.780 7.306 1.00 0.00 N ATOM 0 H ASN A 31 -1.045 -11.588 3.959 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.196 -9.754 3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.347 -9.287 5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.340 -10.533 5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.591 -11.395 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.039 -9.770 7.448 1.00 0.00 H new ATOM 509 N PRO A 32 -0.693 -8.761 3.149 1.00 0.00 N ATOM 510 CA PRO A 32 0.420 -7.830 3.226 1.00 0.00 C ATOM 511 C PRO A 32 -0.078 -6.397 3.423 1.00 0.00 C ATOM 512 O PRO A 32 -0.739 -5.839 2.548 1.00 0.00 O ATOM 513 CB PRO A 32 1.182 -8.021 1.925 1.00 0.00 C ATOM 514 CG PRO A 32 0.217 -8.708 0.973 1.00 0.00 C ATOM 515 CD PRO A 32 -0.953 -9.229 1.791 1.00 0.00 C ATOM 0 HA PRO A 32 1.068 -8.017 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.513 -7.064 1.522 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.075 -8.627 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.130 -8.009 0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.713 -9.527 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.901 -8.845 1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.011 -10.317 1.751 1.00 0.00 H new ATOM 523 N ILE A 33 0.260 -5.841 4.577 1.00 0.00 N ATOM 524 CA ILE A 33 -0.144 -4.483 4.901 1.00 0.00 C ATOM 525 C ILE A 33 1.034 -3.536 4.665 1.00 0.00 C ATOM 526 O ILE A 33 1.909 -3.402 5.520 1.00 0.00 O ATOM 527 CB ILE A 33 -0.712 -4.417 6.319 1.00 0.00 C ATOM 528 CG1 ILE A 33 -2.027 -5.194 6.421 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.867 -2.966 6.781 1.00 0.00 C ATOM 530 CD1 ILE A 33 -2.511 -5.266 7.870 1.00 0.00 C ATOM 0 H ILE A 33 0.809 -6.306 5.300 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.951 -4.158 4.244 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.002 -4.896 6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.786 -4.713 5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.889 -6.202 6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.273 -2.948 7.792 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.106 -2.475 6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.545 -2.440 6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.447 -5.823 7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.760 -5.769 8.480 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.671 -4.257 8.251 1.00 0.00 H new ATOM 542 N LEU A 34 1.019 -2.902 3.501 1.00 0.00 N ATOM 543 CA LEU A 34 2.075 -1.971 3.143 1.00 0.00 C ATOM 544 C LEU A 34 1.676 -0.560 3.581 1.00 0.00 C ATOM 545 O LEU A 34 0.529 -0.153 3.405 1.00 0.00 O ATOM 546 CB LEU A 34 2.404 -2.082 1.652 1.00 0.00 C ATOM 547 CG LEU A 34 3.100 -3.371 1.213 1.00 0.00 C ATOM 548 CD1 LEU A 34 4.620 -3.196 1.197 1.00 0.00 C ATOM 549 CD2 LEU A 34 2.669 -4.552 2.086 1.00 0.00 C ATOM 0 H LEU A 34 0.292 -3.015 2.794 1.00 0.00 H new ATOM 0 HA LEU A 34 2.997 -2.220 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.477 -1.983 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.037 -1.239 1.376 1.00 0.00 H new ATOM 0 HG LEU A 34 2.791 -3.595 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.090 -4.127 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.887 -2.401 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.967 -2.935 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.179 -5.456 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.930 -4.351 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.591 -4.692 2.003 1.00 0.00 H new ATOM 561 N ARG A 35 2.646 0.146 4.145 1.00 0.00 N ATOM 562 CA ARG A 35 2.410 1.502 4.610 1.00 0.00 C ATOM 563 C ARG A 35 3.295 2.487 3.843 1.00 0.00 C ATOM 564 O ARG A 35 4.457 2.197 3.565 1.00 0.00 O ATOM 565 CB ARG A 35 2.697 1.628 6.107 1.00 0.00 C ATOM 566 CG ARG A 35 4.201 1.723 6.372 1.00 0.00 C ATOM 567 CD ARG A 35 4.570 1.037 7.689 1.00 0.00 C ATOM 568 NE ARG A 35 5.308 1.979 8.560 1.00 0.00 N ATOM 569 CZ ARG A 35 6.512 2.488 8.266 1.00 0.00 C ATOM 570 NH1 ARG A 35 7.121 2.150 7.121 1.00 0.00 N ATOM 571 NH2 ARG A 35 7.106 3.336 9.116 1.00 0.00 N ATOM 0 H ARG A 35 3.596 -0.196 4.290 1.00 0.00 H new ATOM 0 HA ARG A 35 1.360 1.736 4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.198 2.512 6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.285 0.767 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.749 1.260 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.502 2.770 6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.668 0.692 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.181 0.156 7.491 1.00 0.00 H new ATOM 0 HE ARG A 35 4.873 2.258 9.439 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.668 1.505 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.038 2.538 6.897 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.642 3.594 9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.023 3.724 8.892 1.00 0.00 H new ATOM 585 N ILE A 36 2.710 3.633 3.524 1.00 0.00 N ATOM 586 CA ILE A 36 3.431 4.663 2.795 1.00 0.00 C ATOM 587 C ILE A 36 4.136 5.587 3.790 1.00 0.00 C ATOM 588 O ILE A 36 3.572 5.934 4.827 1.00 0.00 O ATOM 589 CB ILE A 36 2.493 5.395 1.834 1.00 0.00 C ATOM 590 CG1 ILE A 36 2.279 4.586 0.553 1.00 0.00 C ATOM 591 CG2 ILE A 36 3.002 6.808 1.540 1.00 0.00 C ATOM 592 CD1 ILE A 36 3.610 4.312 -0.152 1.00 0.00 C ATOM 0 H ILE A 36 1.746 3.871 3.757 1.00 0.00 H new ATOM 0 HA ILE A 36 4.205 4.217 2.170 1.00 0.00 H new ATOM 0 HB ILE A 36 1.521 5.496 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.789 3.642 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.613 5.129 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.317 7.306 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.061 7.374 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.992 6.751 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.429 3.736 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.086 5.258 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.264 3.747 0.512 1.00 0.00 H new ATOM 604 N ARG A 37 5.358 5.959 3.439 1.00 0.00 N ATOM 605 CA ARG A 37 6.146 6.837 4.288 1.00 0.00 C ATOM 606 C ARG A 37 7.038 7.741 3.435 1.00 0.00 C ATOM 607 O ARG A 37 7.533 7.322 2.390 1.00 0.00 O ATOM 608 CB ARG A 37 7.020 6.032 5.252 1.00 0.00 C ATOM 609 CG ARG A 37 7.489 6.899 6.422 1.00 0.00 C ATOM 610 CD ARG A 37 9.011 7.054 6.414 1.00 0.00 C ATOM 611 NE ARG A 37 9.408 8.196 7.267 1.00 0.00 N ATOM 612 CZ ARG A 37 9.458 8.152 8.606 1.00 0.00 C ATOM 613 NH1 ARG A 37 9.137 7.022 9.251 1.00 0.00 N ATOM 614 NH2 ARG A 37 9.830 9.237 9.298 1.00 0.00 N ATOM 0 H ARG A 37 5.822 5.669 2.578 1.00 0.00 H new ATOM 0 HA ARG A 37 5.453 7.447 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.459 5.178 5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.884 5.635 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.020 7.881 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.171 6.450 7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.480 6.139 6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.363 7.211 5.395 1.00 0.00 H new ATOM 0 HE ARG A 37 9.659 9.071 6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.855 6.196 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.175 6.988 10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.075 10.096 8.806 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.868 9.204 10.317 1.00 0.00 H new ATOM 628 N VAL A 38 7.215 8.964 3.913 1.00 0.00 N ATOM 629 CA VAL A 38 8.039 9.931 3.207 1.00 0.00 C ATOM 630 C VAL A 38 9.511 9.684 3.546 1.00 0.00 C ATOM 631 O VAL A 38 9.922 9.843 4.694 1.00 0.00 O ATOM 632 CB VAL A 38 7.579 11.352 3.539 1.00 0.00 C ATOM 633 CG1 VAL A 38 8.298 12.379 2.662 1.00 0.00 C ATOM 634 CG2 VAL A 38 6.061 11.482 3.403 1.00 0.00 C ATOM 0 H VAL A 38 6.802 9.307 4.780 1.00 0.00 H new ATOM 0 HA VAL A 38 7.929 9.812 2.129 1.00 0.00 H new ATOM 0 HB VAL A 38 7.841 11.556 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.953 13.381 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.373 12.311 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.081 12.177 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.760 12.501 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.766 11.249 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.574 10.788 4.088 1.00 0.00 H new ATOM 644 N VAL A 39 10.263 9.299 2.525 1.00 0.00 N ATOM 645 CA VAL A 39 11.680 9.029 2.700 1.00 0.00 C ATOM 646 C VAL A 39 12.475 9.781 1.630 1.00 0.00 C ATOM 647 O VAL A 39 12.820 9.214 0.596 1.00 0.00 O ATOM 648 CB VAL A 39 11.932 7.520 2.681 1.00 0.00 C ATOM 649 CG1 VAL A 39 11.503 6.910 1.345 1.00 0.00 C ATOM 650 CG2 VAL A 39 13.398 7.205 2.983 1.00 0.00 C ATOM 0 H VAL A 39 9.918 9.168 1.574 1.00 0.00 H new ATOM 0 HA VAL A 39 12.020 9.390 3.671 1.00 0.00 H new ATOM 0 HB VAL A 39 11.325 7.069 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.693 5.837 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.439 7.089 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 39 12.071 7.369 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.550 6.126 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.033 7.675 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.657 7.590 3.969 1.00 0.00 H new ATOM 660 N PRO A 40 12.748 11.081 1.925 1.00 0.00 N ATOM 661 CA PRO A 40 13.495 11.916 1.000 1.00 0.00 C ATOM 662 C PRO A 40 14.983 11.562 1.021 1.00 0.00 C ATOM 663 O PRO A 40 15.778 12.244 1.667 1.00 0.00 O ATOM 664 CB PRO A 40 13.217 13.342 1.446 1.00 0.00 C ATOM 665 CG PRO A 40 12.706 13.241 2.874 1.00 0.00 C ATOM 666 CD PRO A 40 12.354 11.786 3.140 1.00 0.00 C ATOM 0 HA PRO A 40 13.192 11.771 -0.037 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.121 13.950 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.478 13.816 0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.465 13.585 3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.832 13.877 3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.886 11.403 4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.289 11.666 3.339 1.00 0.00 H new ATOM 674 N GLY A 41 15.316 10.497 0.307 1.00 0.00 N ATOM 675 CA GLY A 41 16.695 10.045 0.235 1.00 0.00 C ATOM 676 C GLY A 41 17.659 11.231 0.189 1.00 0.00 C ATOM 677 O GLY A 41 18.788 11.138 0.670 1.00 0.00 O ATOM 0 H GLY A 41 14.654 9.934 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.922 9.420 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.833 9.425 -0.651 1.00 0.00 H new ATOM 681 N GLY A 42 17.180 12.320 -0.394 1.00 0.00 N ATOM 682 CA GLY A 42 17.986 13.524 -0.509 1.00 0.00 C ATOM 683 C GLY A 42 17.279 14.577 -1.364 1.00 0.00 C ATOM 684 O GLY A 42 16.055 14.563 -1.488 1.00 0.00 O ATOM 0 H GLY A 42 16.244 12.394 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.184 13.929 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.951 13.279 -0.952 1.00 0.00 H new ATOM 688 N CYS A 43 18.080 15.467 -1.933 1.00 0.00 N ATOM 689 CA CYS A 43 17.546 16.526 -2.772 1.00 0.00 C ATOM 690 C CYS A 43 17.034 15.897 -4.070 1.00 0.00 C ATOM 691 O CYS A 43 16.313 16.540 -4.833 1.00 0.00 O ATOM 692 CB CYS A 43 18.586 17.616 -3.038 1.00 0.00 C ATOM 693 SG CYS A 43 20.126 16.867 -3.683 1.00 0.00 S ATOM 0 H CYS A 43 19.095 15.476 -1.829 1.00 0.00 H new ATOM 0 HA CYS A 43 16.722 17.020 -2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 43 18.194 18.337 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 43 18.795 18.163 -2.119 1.00 0.00 H new ATOM 0 HG CYS A 43 21.002 17.801 -3.908 1.00 0.00 H new ATOM 699 N SER A 44 17.426 14.649 -4.281 1.00 0.00 N ATOM 700 CA SER A 44 17.015 13.927 -5.473 1.00 0.00 C ATOM 701 C SER A 44 15.491 13.796 -5.506 1.00 0.00 C ATOM 702 O SER A 44 14.917 13.453 -6.538 1.00 0.00 O ATOM 703 CB SER A 44 17.669 12.545 -5.532 1.00 0.00 C ATOM 704 OG SER A 44 18.896 12.566 -6.257 1.00 0.00 O ATOM 0 H SER A 44 18.024 14.120 -3.647 1.00 0.00 H new ATOM 0 HA SER A 44 17.343 14.492 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.852 12.187 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.983 11.839 -6.000 1.00 0.00 H new ATOM 0 HG SER A 44 19.283 11.666 -6.271 1.00 0.00 H new ATOM 710 N GLY A 45 14.880 14.075 -4.364 1.00 0.00 N ATOM 711 CA GLY A 45 13.434 13.992 -4.250 1.00 0.00 C ATOM 712 C GLY A 45 13.014 12.706 -3.534 1.00 0.00 C ATOM 713 O GLY A 45 12.485 12.755 -2.424 1.00 0.00 O ATOM 0 H GLY A 45 15.360 14.359 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.058 14.857 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.985 14.023 -5.243 1.00 0.00 H new ATOM 717 N PHE A 46 13.265 11.588 -4.198 1.00 0.00 N ATOM 718 CA PHE A 46 12.919 10.292 -3.638 1.00 0.00 C ATOM 719 C PHE A 46 11.420 10.203 -3.347 1.00 0.00 C ATOM 720 O PHE A 46 10.862 11.067 -2.672 1.00 0.00 O ATOM 721 CB PHE A 46 13.691 10.152 -2.325 1.00 0.00 C ATOM 722 CG PHE A 46 15.060 9.484 -2.475 1.00 0.00 C ATOM 723 CD1 PHE A 46 16.069 10.138 -3.110 1.00 0.00 C ATOM 724 CD2 PHE A 46 15.267 8.237 -1.973 1.00 0.00 C ATOM 725 CE1 PHE A 46 17.339 9.519 -3.250 1.00 0.00 C ATOM 726 CE2 PHE A 46 16.537 7.618 -2.113 1.00 0.00 C ATOM 727 CZ PHE A 46 17.546 8.272 -2.748 1.00 0.00 C ATOM 0 H PHE A 46 13.704 11.552 -5.118 1.00 0.00 H new ATOM 0 HA PHE A 46 13.172 9.502 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.827 11.141 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 46 13.091 9.573 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 46 15.904 11.128 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 46 14.466 7.718 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 46 18.140 10.038 -3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 46 16.702 6.628 -1.715 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.512 7.801 -2.854 1.00 0.00 H new ATOM 737 N GLN A 47 10.810 9.150 -3.871 1.00 0.00 N ATOM 738 CA GLN A 47 9.386 8.937 -3.676 1.00 0.00 C ATOM 739 C GLN A 47 9.142 8.093 -2.423 1.00 0.00 C ATOM 740 O GLN A 47 10.088 7.698 -1.743 1.00 0.00 O ATOM 741 CB GLN A 47 8.755 8.283 -4.908 1.00 0.00 C ATOM 742 CG GLN A 47 9.179 9.005 -6.189 1.00 0.00 C ATOM 743 CD GLN A 47 8.182 10.108 -6.552 1.00 0.00 C ATOM 744 OE1 GLN A 47 7.610 10.768 -5.701 1.00 0.00 O ATOM 745 NE2 GLN A 47 8.006 10.268 -7.861 1.00 0.00 N ATOM 0 H GLN A 47 11.276 8.435 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 47 8.910 9.907 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.053 7.236 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.669 8.302 -4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.171 9.436 -6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.249 8.289 -7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.517 9.681 -8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.360 10.978 -8.206 1.00 0.00 H new ATOM 754 N TYR A 48 7.869 7.842 -2.156 1.00 0.00 N ATOM 755 CA TYR A 48 7.489 7.053 -0.997 1.00 0.00 C ATOM 756 C TYR A 48 7.696 5.560 -1.258 1.00 0.00 C ATOM 757 O TYR A 48 7.069 4.989 -2.150 1.00 0.00 O ATOM 758 CB TYR A 48 5.998 7.318 -0.776 1.00 0.00 C ATOM 759 CG TYR A 48 5.614 8.798 -0.840 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.817 9.611 0.256 1.00 0.00 C ATOM 761 CD2 TYR A 48 5.063 9.319 -1.993 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.454 11.004 0.197 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.701 10.711 -2.053 1.00 0.00 C ATOM 764 CZ TYR A 48 4.914 11.485 -0.955 1.00 0.00 C ATOM 765 OH TYR A 48 4.572 12.800 -1.012 1.00 0.00 O ATOM 0 H TYR A 48 7.087 8.171 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 48 8.095 7.325 -0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.427 6.772 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.709 6.920 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.248 9.203 1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.903 8.682 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.607 11.651 1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.270 11.131 -2.950 1.00 0.00 H new ATOM 0 HH TYR A 48 4.199 13.003 -1.895 1.00 0.00 H new ATOM 775 N ALA A 49 8.577 4.969 -0.465 1.00 0.00 N ATOM 776 CA ALA A 49 8.875 3.553 -0.600 1.00 0.00 C ATOM 777 C ALA A 49 7.831 2.742 0.170 1.00 0.00 C ATOM 778 O ALA A 49 7.167 3.267 1.063 1.00 0.00 O ATOM 779 CB ALA A 49 10.300 3.282 -0.112 1.00 0.00 C ATOM 0 H ALA A 49 9.095 5.445 0.274 1.00 0.00 H new ATOM 0 HA ALA A 49 8.825 3.248 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.523 2.220 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.005 3.860 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.388 3.573 0.935 1.00 0.00 H new ATOM 785 N MET A 50 7.719 1.476 -0.203 1.00 0.00 N ATOM 786 CA MET A 50 6.767 0.587 0.441 1.00 0.00 C ATOM 787 C MET A 50 7.441 -0.231 1.545 1.00 0.00 C ATOM 788 O MET A 50 8.667 -0.269 1.633 1.00 0.00 O ATOM 789 CB MET A 50 6.165 -0.358 -0.600 1.00 0.00 C ATOM 790 CG MET A 50 4.641 -0.231 -0.640 1.00 0.00 C ATOM 791 SD MET A 50 4.167 1.094 -1.738 1.00 0.00 S ATOM 792 CE MET A 50 3.334 0.161 -3.010 1.00 0.00 C ATOM 0 H MET A 50 8.272 1.044 -0.943 1.00 0.00 H new ATOM 0 HA MET A 50 5.981 1.192 0.892 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.578 -0.132 -1.583 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.442 -1.386 -0.366 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.198 -1.169 -0.976 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.258 -0.039 0.362 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.066 0.825 -3.832 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.995 -0.623 -3.378 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.431 -0.290 -2.598 1.00 0.00 H new ATOM 802 N GLY A 51 6.610 -0.865 2.359 1.00 0.00 N ATOM 803 CA GLY A 51 7.110 -1.680 3.453 1.00 0.00 C ATOM 804 C GLY A 51 5.958 -2.268 4.269 1.00 0.00 C ATOM 805 O GLY A 51 5.174 -1.530 4.865 1.00 0.00 O ATOM 0 H GLY A 51 5.593 -0.831 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.729 -2.486 3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.747 -1.076 4.099 1.00 0.00 H new ATOM 809 N PHE A 52 5.891 -3.591 4.271 1.00 0.00 N ATOM 810 CA PHE A 52 4.848 -4.287 5.005 1.00 0.00 C ATOM 811 C PHE A 52 5.062 -4.161 6.515 1.00 0.00 C ATOM 812 O PHE A 52 6.151 -4.436 7.016 1.00 0.00 O ATOM 813 CB PHE A 52 4.932 -5.763 4.611 1.00 0.00 C ATOM 814 CG PHE A 52 6.315 -6.384 4.818 1.00 0.00 C ATOM 815 CD1 PHE A 52 6.675 -6.850 6.044 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.184 -6.470 3.775 1.00 0.00 C ATOM 817 CE1 PHE A 52 7.958 -7.427 6.235 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.467 -7.047 3.967 1.00 0.00 C ATOM 819 CZ PHE A 52 8.827 -7.513 5.193 1.00 0.00 C ATOM 0 H PHE A 52 6.542 -4.200 3.776 1.00 0.00 H new ATOM 0 HA PHE A 52 3.875 -3.857 4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.202 -6.326 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.652 -5.865 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.985 -6.781 6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.898 -6.100 2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.244 -7.798 7.208 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.157 -7.116 3.139 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.803 -7.951 5.339 1.00 0.00 H new ATOM 829 N ASP A 53 4.005 -3.746 7.198 1.00 0.00 N ATOM 830 CA ASP A 53 4.064 -3.581 8.640 1.00 0.00 C ATOM 831 C ASP A 53 3.597 -4.871 9.317 1.00 0.00 C ATOM 832 O ASP A 53 3.168 -5.808 8.645 1.00 0.00 O ATOM 833 CB ASP A 53 3.148 -2.446 9.102 1.00 0.00 C ATOM 834 CG ASP A 53 3.771 -1.484 10.116 1.00 0.00 C ATOM 835 OD1 ASP A 53 4.727 -0.783 9.720 1.00 0.00 O ATOM 836 OD2 ASP A 53 3.276 -1.470 11.264 1.00 0.00 O ATOM 0 H ASP A 53 3.103 -3.519 6.779 1.00 0.00 H new ATOM 0 HA ASP A 53 5.094 -3.347 8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.833 -1.875 8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.249 -2.880 9.540 1.00 0.00 H new ATOM 841 N ASP A 54 3.697 -4.878 10.638 1.00 0.00 N ATOM 842 CA ASP A 54 3.290 -6.038 11.413 1.00 0.00 C ATOM 843 C ASP A 54 1.900 -5.790 12.002 1.00 0.00 C ATOM 844 O ASP A 54 1.285 -6.700 12.556 1.00 0.00 O ATOM 845 CB ASP A 54 4.256 -6.293 12.571 1.00 0.00 C ATOM 846 CG ASP A 54 5.569 -6.975 12.181 1.00 0.00 C ATOM 847 OD1 ASP A 54 5.598 -7.560 11.077 1.00 0.00 O ATOM 848 OD2 ASP A 54 6.514 -6.894 12.994 1.00 0.00 O ATOM 0 H ASP A 54 4.054 -4.099 11.191 1.00 0.00 H new ATOM 0 HA ASP A 54 3.287 -6.903 10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.487 -5.340 13.048 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.752 -6.909 13.316 1.00 0.00 H new ATOM 853 N THR A 55 1.445 -4.554 11.863 1.00 0.00 N ATOM 854 CA THR A 55 0.139 -4.175 12.375 1.00 0.00 C ATOM 855 C THR A 55 -0.294 -2.830 11.788 1.00 0.00 C ATOM 856 O THR A 55 0.510 -2.128 11.176 1.00 0.00 O ATOM 857 CB THR A 55 0.211 -4.176 13.903 1.00 0.00 C ATOM 858 OG1 THR A 55 0.056 -5.548 14.257 1.00 0.00 O ATOM 859 CG2 THR A 55 -0.993 -3.486 14.547 1.00 0.00 C ATOM 0 H THR A 55 1.957 -3.802 11.403 1.00 0.00 H new ATOM 0 HA THR A 55 -0.627 -4.889 12.071 1.00 0.00 H new ATOM 0 HB THR A 55 1.127 -3.680 14.223 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.112 -6.102 13.451 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.892 -3.515 15.632 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.039 -2.449 14.214 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.908 -4.002 14.254 1.00 0.00 H new ATOM 867 N VAL A 56 -1.563 -2.510 11.996 1.00 0.00 N ATOM 868 CA VAL A 56 -2.112 -1.262 11.496 1.00 0.00 C ATOM 869 C VAL A 56 -2.050 -0.204 12.599 1.00 0.00 C ATOM 870 O VAL A 56 -2.022 -0.537 13.783 1.00 0.00 O ATOM 871 CB VAL A 56 -3.529 -1.489 10.964 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.478 -0.389 11.444 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.532 -1.588 9.437 1.00 0.00 C ATOM 0 H VAL A 56 -2.227 -3.094 12.504 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.520 -0.893 10.658 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.888 -2.438 11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.478 -0.574 11.052 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.510 -0.386 12.534 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.123 0.578 11.089 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.551 -1.749 9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.143 -0.663 9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.904 -2.423 9.125 1.00 0.00 H new ATOM 883 N GLU A 57 -2.032 1.050 12.172 1.00 0.00 N ATOM 884 CA GLU A 57 -1.974 2.159 13.109 1.00 0.00 C ATOM 885 C GLU A 57 -3.380 2.522 13.590 1.00 0.00 C ATOM 886 O GLU A 57 -4.370 2.020 13.059 1.00 0.00 O ATOM 887 CB GLU A 57 -1.279 3.370 12.484 1.00 0.00 C ATOM 888 CG GLU A 57 -0.086 2.937 11.630 1.00 0.00 C ATOM 889 CD GLU A 57 0.658 4.152 11.071 1.00 0.00 C ATOM 890 OE1 GLU A 57 0.655 5.189 11.769 1.00 0.00 O ATOM 891 OE2 GLU A 57 1.213 4.016 9.960 1.00 0.00 O ATOM 0 H GLU A 57 -2.057 1.323 11.189 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.385 1.849 13.972 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.989 3.924 11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.942 4.046 13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.595 2.333 12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.431 2.308 10.809 1.00 0.00 H new ATOM 898 N GLU A 58 -3.424 3.390 14.590 1.00 0.00 N ATOM 899 CA GLU A 58 -4.693 3.826 15.148 1.00 0.00 C ATOM 900 C GLU A 58 -5.257 4.994 14.337 1.00 0.00 C ATOM 901 O GLU A 58 -6.041 5.790 14.850 1.00 0.00 O ATOM 902 CB GLU A 58 -4.542 4.205 16.622 1.00 0.00 C ATOM 903 CG GLU A 58 -5.678 3.613 17.460 1.00 0.00 C ATOM 904 CD GLU A 58 -5.394 2.152 17.814 1.00 0.00 C ATOM 905 OE1 GLU A 58 -5.346 1.337 16.867 1.00 0.00 O ATOM 906 OE2 GLU A 58 -5.231 1.882 19.023 1.00 0.00 O ATOM 0 H GLU A 58 -2.601 3.803 15.028 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.397 2.996 15.090 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.584 3.846 16.997 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.538 5.290 16.724 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.802 4.195 18.373 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.616 3.682 16.908 1.00 0.00 H new ATOM 913 N GLY A 59 -4.835 5.060 13.082 1.00 0.00 N ATOM 914 CA GLY A 59 -5.288 6.118 12.195 1.00 0.00 C ATOM 915 C GLY A 59 -4.538 6.074 10.862 1.00 0.00 C ATOM 916 O GLY A 59 -3.877 7.040 10.485 1.00 0.00 O ATOM 0 H GLY A 59 -4.184 4.398 12.659 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.359 6.015 12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.135 7.087 12.671 1.00 0.00 H new ATOM 920 N ASP A 60 -4.666 4.942 10.184 1.00 0.00 N ATOM 921 CA ASP A 60 -4.009 4.760 8.902 1.00 0.00 C ATOM 922 C ASP A 60 -5.059 4.432 7.838 1.00 0.00 C ATOM 923 O ASP A 60 -6.080 3.815 8.137 1.00 0.00 O ATOM 924 CB ASP A 60 -3.011 3.601 8.954 1.00 0.00 C ATOM 925 CG ASP A 60 -1.646 3.895 8.329 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.492 5.018 7.804 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.787 2.989 8.391 1.00 0.00 O ATOM 0 H ASP A 60 -5.215 4.142 10.499 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.479 5.682 8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.863 3.315 9.995 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.449 2.741 8.447 1.00 0.00 H new ATOM 932 N HIS A 61 -4.771 4.860 6.617 1.00 0.00 N ATOM 933 CA HIS A 61 -5.678 4.620 5.507 1.00 0.00 C ATOM 934 C HIS A 61 -5.751 3.119 5.220 1.00 0.00 C ATOM 935 O HIS A 61 -5.208 2.647 4.222 1.00 0.00 O ATOM 936 CB HIS A 61 -5.266 5.439 4.282 1.00 0.00 C ATOM 937 CG HIS A 61 -6.133 5.206 3.068 1.00 0.00 C ATOM 938 ND1 HIS A 61 -5.939 5.534 1.758 1.00 0.00 N flip ATOM 939 CD2 HIS A 61 -7.358 4.566 3.133 1.00 0.00 C flip ATOM 940 CE1 HIS A 61 -6.988 5.117 1.061 1.00 0.00 C flip ATOM 941 NE2 HIS A 61 -7.870 4.516 1.912 1.00 0.00 N flip ATOM 0 H HIS A 61 -3.923 5.371 6.372 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.681 4.953 5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.295 6.498 4.539 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.233 5.201 4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.819 4.174 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.122 5.234 -0.004 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -8.765 4.101 1.653 1.00 0.00 H new ATOM 949 N VAL A 62 -6.426 2.410 6.113 1.00 0.00 N ATOM 950 CA VAL A 62 -6.578 0.972 5.967 1.00 0.00 C ATOM 951 C VAL A 62 -7.628 0.680 4.894 1.00 0.00 C ATOM 952 O VAL A 62 -8.826 0.711 5.168 1.00 0.00 O ATOM 953 CB VAL A 62 -6.915 0.342 7.320 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.416 0.425 7.604 1.00 0.00 C ATOM 955 CG2 VAL A 62 -6.422 -1.104 7.390 1.00 0.00 C ATOM 0 H VAL A 62 -6.874 2.804 6.940 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.642 0.521 5.637 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.396 0.909 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.629 -0.030 8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.726 1.470 7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.964 -0.106 6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.674 -1.528 8.362 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.899 -1.689 6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.341 -1.127 7.254 1.00 0.00 H new ATOM 965 N PHE A 63 -7.139 0.403 3.694 1.00 0.00 N ATOM 966 CA PHE A 63 -8.020 0.106 2.577 1.00 0.00 C ATOM 967 C PHE A 63 -7.816 -1.328 2.085 1.00 0.00 C ATOM 968 O PHE A 63 -6.695 -1.835 2.084 1.00 0.00 O ATOM 969 CB PHE A 63 -7.658 1.076 1.451 1.00 0.00 C ATOM 970 CG PHE A 63 -8.869 1.668 0.727 1.00 0.00 C ATOM 971 CD1 PHE A 63 -9.966 2.048 1.435 1.00 0.00 C ATOM 972 CD2 PHE A 63 -8.847 1.815 -0.625 1.00 0.00 C ATOM 973 CE1 PHE A 63 -11.089 2.598 0.763 1.00 0.00 C ATOM 974 CE2 PHE A 63 -9.971 2.365 -1.297 1.00 0.00 C ATOM 975 CZ PHE A 63 -11.068 2.745 -0.589 1.00 0.00 C ATOM 0 H PHE A 63 -6.144 0.378 3.471 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.060 0.211 2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.061 1.889 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.032 0.557 0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.983 1.931 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.975 1.514 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.960 2.900 1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.954 2.481 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 63 -11.922 3.163 -1.100 1.00 0.00 H new ATOM 985 N GLU A 64 -8.917 -1.942 1.678 1.00 0.00 N ATOM 986 CA GLU A 64 -8.874 -3.308 1.184 1.00 0.00 C ATOM 987 C GLU A 64 -8.586 -3.320 -0.319 1.00 0.00 C ATOM 988 O GLU A 64 -9.118 -2.498 -1.063 1.00 0.00 O ATOM 989 CB GLU A 64 -10.176 -4.047 1.499 1.00 0.00 C ATOM 990 CG GLU A 64 -10.579 -3.849 2.962 1.00 0.00 C ATOM 991 CD GLU A 64 -12.090 -4.005 3.140 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.644 -4.930 2.507 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.658 -3.195 3.905 1.00 0.00 O ATOM 0 H GLU A 64 -9.845 -1.519 1.680 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.066 -3.832 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.971 -3.685 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.054 -5.110 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.059 -4.574 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.270 -2.859 3.297 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.745 -4.262 -0.721 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.380 -4.392 -2.121 1.00 0.00 C ATOM 1002 C TYR A 65 -7.550 -5.835 -2.600 1.00 0.00 C ATOM 1003 O TYR A 65 -8.265 -6.619 -1.978 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.902 -4.008 -2.209 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.612 -2.556 -1.827 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.618 -2.177 -0.500 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -5.344 -1.624 -2.809 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -5.346 -0.809 -0.140 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -5.072 -0.257 -2.449 1.00 0.00 C ATOM 1010 CZ TYR A 65 -5.086 0.083 -1.132 1.00 0.00 C ATOM 1011 OH TYR A 65 -4.828 1.375 -0.792 1.00 0.00 O ATOM 0 H TYR A 65 -7.306 -4.943 -0.101 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.013 -3.760 -2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.327 -4.666 -1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.552 -4.182 -3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.827 -2.906 0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.338 -1.920 -3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.349 -0.499 0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.861 0.482 -3.208 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.659 1.899 -1.603 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.881 -6.142 -3.702 1.00 0.00 N ATOM 1022 CA ASP A 66 -6.948 -7.477 -4.271 1.00 0.00 C ATOM 1023 C ASP A 66 -6.320 -8.475 -3.297 1.00 0.00 C ATOM 1024 O ASP A 66 -5.235 -8.996 -3.549 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.175 -7.553 -5.589 1.00 0.00 C ATOM 1026 CG ASP A 66 -6.543 -8.736 -6.487 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -7.432 -9.509 -6.071 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -5.926 -8.841 -7.569 1.00 0.00 O ATOM 0 H ASP A 66 -6.290 -5.489 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.996 -7.713 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.341 -6.630 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.109 -7.604 -5.365 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.029 -8.711 -2.202 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.555 -9.637 -1.188 1.00 0.00 C ATOM 1035 C GLY A 67 -5.350 -9.062 -0.441 1.00 0.00 C ATOM 1036 O GLY A 67 -4.630 -9.793 0.237 1.00 0.00 O ATOM 0 H GLY A 67 -7.928 -8.276 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.357 -9.850 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.281 -10.583 -1.654 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.169 -7.758 -0.591 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.063 -7.077 0.062 1.00 0.00 C ATOM 1042 C VAL A 68 -4.586 -5.820 0.760 1.00 0.00 C ATOM 1043 O VAL A 68 -5.690 -5.360 0.474 1.00 0.00 O ATOM 1044 CB VAL A 68 -2.958 -6.781 -0.954 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -1.778 -6.070 -0.289 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.502 -8.061 -1.657 1.00 0.00 C ATOM 0 H VAL A 68 -5.769 -7.155 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.620 -7.714 0.828 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.369 -6.112 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.007 -5.871 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.117 -5.128 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.368 -6.703 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.716 -7.822 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.118 -8.765 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.347 -8.509 -2.180 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.768 -5.301 1.664 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.133 -4.106 2.406 1.00 0.00 C ATOM 1058 C LYS A 69 -3.006 -3.077 2.295 1.00 0.00 C ATOM 1059 O LYS A 69 -1.830 -3.437 2.296 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.501 -4.462 3.847 1.00 0.00 C ATOM 1061 CG LYS A 69 -6.015 -4.393 4.060 1.00 0.00 C ATOM 1062 CD LYS A 69 -6.414 -3.081 4.738 1.00 0.00 C ATOM 1063 CE LYS A 69 -7.935 -2.968 4.862 1.00 0.00 C ATOM 1064 NZ LYS A 69 -8.427 -3.807 5.978 1.00 0.00 N ATOM 0 H LYS A 69 -2.853 -5.686 1.899 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.025 -3.649 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.143 -5.465 4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.002 -3.778 4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.525 -4.481 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.339 -5.235 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.960 -3.026 5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.029 -2.239 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.216 -1.928 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.406 -3.279 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.433 -3.604 6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.312 -4.811 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.882 -3.595 6.838 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.406 -1.817 2.202 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.444 -0.734 2.091 1.00 0.00 C ATOM 1080 C VAL A 70 -2.819 0.378 3.073 1.00 0.00 C ATOM 1081 O VAL A 70 -3.989 0.541 3.414 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.366 -0.250 0.641 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -1.180 0.695 0.442 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.295 -1.432 -0.328 1.00 0.00 C ATOM 0 H VAL A 70 -4.383 -1.522 2.201 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.446 -1.081 2.358 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.278 0.307 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.147 1.024 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.292 1.561 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.254 0.174 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.240 -1.061 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.409 -2.028 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.185 -2.050 -0.213 1.00 0.00 H new ATOM 1094 N VAL A 71 -1.803 1.114 3.500 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.012 2.206 4.435 1.00 0.00 C ATOM 1096 C VAL A 71 -1.034 3.338 4.117 1.00 0.00 C ATOM 1097 O VAL A 71 -0.004 3.114 3.482 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.887 1.694 5.872 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.678 0.399 6.063 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.420 1.503 6.261 1.00 0.00 C ATOM 0 H VAL A 71 -0.833 0.975 3.216 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.020 2.609 4.333 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.313 2.448 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.572 0.057 7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.731 0.581 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.295 -0.364 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.360 1.139 7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.043 0.779 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.104 2.456 6.183 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.390 4.531 4.573 1.00 0.00 N ATOM 1111 CA ILE A 72 -0.557 5.699 4.345 1.00 0.00 C ATOM 1112 C ILE A 72 -0.558 6.574 5.599 1.00 0.00 C ATOM 1113 O ILE A 72 -1.615 7.006 6.057 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.002 6.436 3.080 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -1.430 5.449 1.992 1.00 0.00 C ATOM 1116 CG2 ILE A 72 0.087 7.392 2.590 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -2.940 5.208 2.033 1.00 0.00 C ATOM 0 H ILE A 72 -2.245 4.713 5.099 1.00 0.00 H new ATOM 0 HA ILE A 72 0.476 5.401 4.165 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.874 7.041 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.146 5.836 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.904 4.504 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.255 7.903 1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.301 8.128 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.992 6.828 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.217 4.503 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.217 4.798 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.463 6.151 1.874 1.00 0.00 H new ATOM 1129 N ASP A 73 0.637 6.809 6.119 1.00 0.00 N ATOM 1130 CA ASP A 73 0.787 7.626 7.312 1.00 0.00 C ATOM 1131 C ASP A 73 -0.184 8.805 7.243 1.00 0.00 C ATOM 1132 O ASP A 73 -0.628 9.186 6.161 1.00 0.00 O ATOM 1133 CB ASP A 73 2.206 8.187 7.421 1.00 0.00 C ATOM 1134 CG ASP A 73 3.188 7.316 8.206 1.00 0.00 C ATOM 1135 OD1 ASP A 73 3.180 6.090 7.963 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.925 7.896 9.033 1.00 0.00 O ATOM 0 H ASP A 73 1.511 6.448 5.737 1.00 0.00 H new ATOM 0 HA ASP A 73 0.580 6.998 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.600 8.336 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.157 9.168 7.893 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.494 9.366 8.443 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.405 10.495 8.528 1.00 0.00 C ATOM 1143 C PRO A 74 -0.726 11.784 8.062 1.00 0.00 C ATOM 1144 O PRO A 74 -1.398 12.740 7.678 1.00 0.00 O ATOM 1145 CB PRO A 74 -1.836 10.543 9.985 1.00 0.00 C ATOM 1146 CG PRO A 74 -0.800 9.738 10.753 1.00 0.00 C ATOM 1147 CD PRO A 74 0.012 8.942 9.744 1.00 0.00 C ATOM 0 HA PRO A 74 -2.270 10.388 7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.878 11.571 10.346 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.832 10.119 10.112 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.152 10.399 11.328 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.286 9.070 11.464 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.078 9.150 9.841 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.118 7.870 9.889 1.00 0.00 H new ATOM 1155 N PHE A 75 0.598 11.769 8.111 1.00 0.00 N ATOM 1156 CA PHE A 75 1.376 12.925 7.699 1.00 0.00 C ATOM 1157 C PHE A 75 1.638 12.900 6.192 1.00 0.00 C ATOM 1158 O PHE A 75 1.852 13.944 5.578 1.00 0.00 O ATOM 1159 CB PHE A 75 2.713 12.851 8.438 1.00 0.00 C ATOM 1160 CG PHE A 75 2.737 13.622 9.760 1.00 0.00 C ATOM 1161 CD1 PHE A 75 2.605 14.975 9.760 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.891 12.954 10.934 1.00 0.00 C ATOM 1163 CE1 PHE A 75 2.627 15.691 10.986 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.913 13.669 12.160 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.781 15.023 12.160 1.00 0.00 C ATOM 0 H PHE A 75 1.152 10.974 8.430 1.00 0.00 H new ATOM 0 HA PHE A 75 0.833 13.841 7.932 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.950 11.805 8.635 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.497 13.239 7.788 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.483 15.506 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.997 11.879 10.934 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.521 16.766 10.986 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.035 13.138 13.093 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.799 15.567 13.093 1.00 0.00 H new ATOM 1175 N SER A 76 1.612 11.696 5.639 1.00 0.00 N ATOM 1176 CA SER A 76 1.844 11.522 4.215 1.00 0.00 C ATOM 1177 C SER A 76 0.521 11.625 3.453 1.00 0.00 C ATOM 1178 O SER A 76 0.513 11.848 2.243 1.00 0.00 O ATOM 1179 CB SER A 76 2.519 10.180 3.927 1.00 0.00 C ATOM 1180 OG SER A 76 3.634 9.949 4.784 1.00 0.00 O ATOM 0 H SER A 76 1.434 10.832 6.151 1.00 0.00 H new ATOM 0 HA SER A 76 2.513 12.314 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.794 9.376 4.050 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.849 10.155 2.888 1.00 0.00 H new ATOM 0 HG SER A 76 4.037 9.082 4.570 1.00 0.00 H new ATOM 1186 N MET A 77 -0.566 11.457 4.192 1.00 0.00 N ATOM 1187 CA MET A 77 -1.891 11.528 3.601 1.00 0.00 C ATOM 1188 C MET A 77 -2.101 12.863 2.884 1.00 0.00 C ATOM 1189 O MET A 77 -2.537 12.893 1.734 1.00 0.00 O ATOM 1190 CB MET A 77 -2.948 11.365 4.695 1.00 0.00 C ATOM 1191 CG MET A 77 -4.009 10.342 4.284 1.00 0.00 C ATOM 1192 SD MET A 77 -4.981 10.982 2.930 1.00 0.00 S ATOM 1193 CE MET A 77 -4.556 9.803 1.659 1.00 0.00 C ATOM 0 H MET A 77 -0.556 11.272 5.195 1.00 0.00 H new ATOM 0 HA MET A 77 -1.985 10.725 2.870 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.471 11.047 5.622 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.422 12.326 4.894 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.531 9.408 3.990 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.656 10.116 5.132 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.242 9.910 0.819 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.536 9.985 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.630 8.792 2.061 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.772 13.964 3.611 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.920 15.299 3.057 1.00 0.00 C ATOM 1205 C PRO A 78 -0.814 15.597 2.042 1.00 0.00 C ATOM 1206 O PRO A 78 -0.745 16.699 1.499 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.889 16.230 4.258 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.262 15.430 5.389 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.252 13.967 4.975 1.00 0.00 C ATOM 0 HA PRO A 78 -2.848 15.422 2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.306 17.126 4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.894 16.560 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.248 15.778 5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.829 15.562 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.245 13.551 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.873 13.364 5.637 1.00 0.00 H new ATOM 1217 N TYR A 79 0.023 14.595 1.815 1.00 0.00 N ATOM 1218 CA TYR A 79 1.122 14.735 0.875 1.00 0.00 C ATOM 1219 C TYR A 79 0.873 13.907 -0.387 1.00 0.00 C ATOM 1220 O TYR A 79 1.494 14.144 -1.422 1.00 0.00 O ATOM 1221 CB TYR A 79 2.361 14.193 1.590 1.00 0.00 C ATOM 1222 CG TYR A 79 3.563 15.139 1.556 1.00 0.00 C ATOM 1223 CD1 TYR A 79 3.749 15.980 0.478 1.00 0.00 C ATOM 1224 CD2 TYR A 79 4.461 15.152 2.604 1.00 0.00 C ATOM 1225 CE1 TYR A 79 4.880 16.870 0.446 1.00 0.00 C ATOM 1226 CE2 TYR A 79 5.592 16.042 2.572 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.746 16.857 1.494 1.00 0.00 C ATOM 1228 OH TYR A 79 6.815 17.698 1.464 1.00 0.00 O ATOM 0 H TYR A 79 -0.038 13.682 2.266 1.00 0.00 H new ATOM 0 HA TYR A 79 1.237 15.776 0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.106 13.984 2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.645 13.245 1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.046 15.971 -0.342 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.315 14.494 3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.037 17.533 -0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.302 16.062 3.385 1.00 0.00 H new ATOM 0 HH TYR A 79 7.347 17.581 2.279 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.038 12.953 -0.260 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.377 12.089 -1.378 1.00 0.00 C ATOM 1240 C VAL A 80 -1.894 11.899 -1.429 1.00 0.00 C ATOM 1241 O VAL A 80 -2.378 10.830 -1.795 1.00 0.00 O ATOM 1242 CB VAL A 80 0.387 10.767 -1.267 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.892 10.989 -1.435 1.00 0.00 C ATOM 1244 CG2 VAL A 80 0.080 10.065 0.057 1.00 0.00 C ATOM 0 H VAL A 80 -0.552 12.760 0.600 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.075 12.547 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 80 0.052 10.117 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.412 10.035 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.088 11.425 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.249 11.665 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.636 9.129 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.373 10.708 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.988 9.857 0.119 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.603 12.955 -1.055 1.00 0.00 N ATOM 1255 CA ASN A 81 -4.055 12.918 -1.054 1.00 0.00 C ATOM 1256 C ASN A 81 -4.563 12.953 -2.497 1.00 0.00 C ATOM 1257 O ASN A 81 -4.406 13.957 -3.190 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.636 14.128 -0.319 1.00 0.00 C ATOM 1259 CG ASN A 81 -3.963 15.423 -0.778 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -2.909 15.809 -0.300 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -4.630 16.071 -1.729 1.00 0.00 N ATOM 0 H ASN A 81 -2.198 13.841 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.369 12.004 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.709 14.187 -0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.501 14.005 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.264 16.947 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.507 15.692 -2.085 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.163 11.845 -2.906 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.695 11.736 -4.254 1.00 0.00 C ATOM 1270 C GLY A 82 -4.589 11.389 -5.254 1.00 0.00 C ATOM 1271 O GLY A 82 -4.866 11.116 -6.421 1.00 0.00 O ATOM 0 H GLY A 82 -5.293 11.015 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.469 10.969 -4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.167 12.676 -4.540 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.360 11.411 -4.759 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.212 11.103 -5.594 1.00 0.00 C ATOM 1277 C ALA A 83 -2.221 9.611 -5.936 1.00 0.00 C ATOM 1278 O ALA A 83 -2.841 8.814 -5.233 1.00 0.00 O ATOM 1279 CB ALA A 83 -0.930 11.529 -4.877 1.00 0.00 C ATOM 0 H ALA A 83 -3.135 11.637 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.260 11.657 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.069 11.298 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.961 12.601 -4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.846 10.992 -3.932 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.527 9.280 -7.014 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.447 7.898 -7.457 1.00 0.00 C ATOM 1287 C GLU A 84 -0.007 7.390 -7.353 1.00 0.00 C ATOM 1288 O GLU A 84 0.900 7.955 -7.962 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.980 7.748 -8.883 1.00 0.00 C ATOM 1290 CG GLU A 84 -3.431 8.224 -8.979 1.00 0.00 C ATOM 1291 CD GLU A 84 -3.965 8.070 -10.405 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -4.205 6.908 -10.798 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -4.121 9.117 -11.068 1.00 0.00 O ATOM 0 H GLU A 84 -1.015 9.944 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.074 7.290 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.359 8.323 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.915 6.705 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.052 7.651 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.496 9.268 -8.673 1.00 0.00 H new ATOM 1300 N LEU A 85 0.157 6.328 -6.578 1.00 0.00 N ATOM 1301 CA LEU A 85 1.471 5.737 -6.386 1.00 0.00 C ATOM 1302 C LEU A 85 1.714 4.685 -7.469 1.00 0.00 C ATOM 1303 O LEU A 85 1.129 3.603 -7.432 1.00 0.00 O ATOM 1304 CB LEU A 85 1.613 5.198 -4.962 1.00 0.00 C ATOM 1305 CG LEU A 85 2.492 3.956 -4.799 1.00 0.00 C ATOM 1306 CD1 LEU A 85 3.905 4.212 -5.328 1.00 0.00 C ATOM 1307 CD2 LEU A 85 2.502 3.478 -3.346 1.00 0.00 C ATOM 0 H LEU A 85 -0.598 5.861 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 85 2.249 6.493 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.019 5.991 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.618 4.967 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 85 2.064 3.153 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.510 3.314 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.856 4.469 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.357 5.035 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.134 2.594 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.893 4.269 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.486 3.230 -3.038 1.00 0.00 H new ATOM 1319 N ASP A 86 2.579 5.037 -8.409 1.00 0.00 N ATOM 1320 CA ASP A 86 2.907 4.137 -9.501 1.00 0.00 C ATOM 1321 C ASP A 86 4.217 3.413 -9.183 1.00 0.00 C ATOM 1322 O ASP A 86 5.299 3.961 -9.386 1.00 0.00 O ATOM 1323 CB ASP A 86 3.098 4.904 -10.810 1.00 0.00 C ATOM 1324 CG ASP A 86 2.553 4.203 -12.056 1.00 0.00 C ATOM 1325 OD1 ASP A 86 2.848 2.997 -12.203 1.00 0.00 O ATOM 1326 OD2 ASP A 86 1.853 4.888 -12.833 1.00 0.00 O ATOM 0 H ASP A 86 3.063 5.934 -8.437 1.00 0.00 H new ATOM 0 HA ASP A 86 2.084 3.431 -9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.614 5.876 -10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.163 5.090 -10.953 1.00 0.00 H new ATOM 1331 N TYR A 87 4.077 2.191 -8.688 1.00 0.00 N ATOM 1332 CA TYR A 87 5.235 1.387 -8.340 1.00 0.00 C ATOM 1333 C TYR A 87 5.755 0.619 -9.557 1.00 0.00 C ATOM 1334 O TYR A 87 4.990 -0.055 -10.244 1.00 0.00 O ATOM 1335 CB TYR A 87 4.753 0.386 -7.288 1.00 0.00 C ATOM 1336 CG TYR A 87 5.734 0.176 -6.134 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.749 -0.753 -6.251 1.00 0.00 C ATOM 1338 CD2 TYR A 87 5.605 0.914 -4.975 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.672 -0.951 -5.164 1.00 0.00 C ATOM 1340 CE2 TYR A 87 6.528 0.716 -3.888 1.00 0.00 C ATOM 1341 CZ TYR A 87 7.516 -0.207 -4.036 1.00 0.00 C ATOM 1342 OH TYR A 87 8.389 -0.394 -3.009 1.00 0.00 O ATOM 0 H TYR A 87 3.178 1.739 -8.520 1.00 0.00 H new ATOM 0 HA TYR A 87 6.045 2.019 -7.976 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.801 0.729 -6.884 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.567 -0.573 -7.772 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.850 -1.331 -7.158 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.811 1.641 -4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.470 -1.674 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.438 1.287 -2.976 1.00 0.00 H new ATOM 0 HH TYR A 87 9.258 -0.673 -3.365 1.00 0.00 H new ATOM 1352 N VAL A 88 7.054 0.747 -9.787 1.00 0.00 N ATOM 1353 CA VAL A 88 7.685 0.074 -10.909 1.00 0.00 C ATOM 1354 C VAL A 88 8.179 -1.303 -10.460 1.00 0.00 C ATOM 1355 O VAL A 88 8.621 -1.468 -9.324 1.00 0.00 O ATOM 1356 CB VAL A 88 8.800 0.950 -11.485 1.00 0.00 C ATOM 1357 CG1 VAL A 88 9.579 0.203 -12.570 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.239 2.268 -12.023 1.00 0.00 C ATOM 0 H VAL A 88 7.686 1.307 -9.215 1.00 0.00 H new ATOM 0 HA VAL A 88 6.966 -0.084 -11.713 1.00 0.00 H new ATOM 0 HB VAL A 88 9.492 1.185 -10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.365 0.848 -12.963 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.025 -0.696 -12.144 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.902 -0.076 -13.377 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.052 2.872 -12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.515 2.061 -12.811 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.750 2.812 -11.215 1.00 0.00 H new ATOM 1368 N VAL A 89 8.087 -2.257 -11.375 1.00 0.00 N ATOM 1369 CA VAL A 89 8.518 -3.614 -11.087 1.00 0.00 C ATOM 1370 C VAL A 89 9.479 -4.082 -12.183 1.00 0.00 C ATOM 1371 O VAL A 89 9.067 -4.307 -13.320 1.00 0.00 O ATOM 1372 CB VAL A 89 7.301 -4.527 -10.929 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.703 -5.877 -10.331 1.00 0.00 C ATOM 1374 CG2 VAL A 89 6.217 -3.855 -10.085 1.00 0.00 C ATOM 0 H VAL A 89 7.720 -2.117 -12.316 1.00 0.00 H new ATOM 0 HA VAL A 89 9.060 -3.651 -10.142 1.00 0.00 H new ATOM 0 HB VAL A 89 6.888 -4.709 -11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.820 -6.507 -10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.424 -6.365 -10.987 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.153 -5.721 -9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.363 -4.526 -9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.614 -3.629 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.900 -2.931 -10.569 1.00 0.00 H new ATOM 1384 N ASP A 90 10.741 -4.214 -11.802 1.00 0.00 N ATOM 1385 CA ASP A 90 11.763 -4.651 -12.737 1.00 0.00 C ATOM 1386 C ASP A 90 13.018 -5.056 -11.962 1.00 0.00 C ATOM 1387 O ASP A 90 12.928 -5.529 -10.830 1.00 0.00 O ATOM 1388 CB ASP A 90 12.145 -3.526 -13.701 1.00 0.00 C ATOM 1389 CG ASP A 90 12.551 -3.985 -15.103 1.00 0.00 C ATOM 1390 OD1 ASP A 90 13.751 -4.289 -15.275 1.00 0.00 O ATOM 1391 OD2 ASP A 90 11.652 -4.021 -15.970 1.00 0.00 O ATOM 0 H ASP A 90 11.079 -4.026 -10.858 1.00 0.00 H new ATOM 0 HA ASP A 90 11.364 -5.492 -13.304 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.301 -2.842 -13.789 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.970 -2.961 -13.267 1.00 0.00 H new ATOM 1396 N PHE A 91 14.161 -4.856 -12.602 1.00 0.00 N ATOM 1397 CA PHE A 91 15.433 -5.195 -11.987 1.00 0.00 C ATOM 1398 C PHE A 91 15.614 -4.454 -10.660 1.00 0.00 C ATOM 1399 O PHE A 91 16.491 -4.798 -9.868 1.00 0.00 O ATOM 1400 CB PHE A 91 16.531 -4.754 -12.957 1.00 0.00 C ATOM 1401 CG PHE A 91 17.775 -5.645 -12.935 1.00 0.00 C ATOM 1402 CD1 PHE A 91 17.719 -6.905 -13.443 1.00 0.00 C ATOM 1403 CD2 PHE A 91 18.937 -5.176 -12.406 1.00 0.00 C ATOM 1404 CE1 PHE A 91 18.873 -7.731 -13.422 1.00 0.00 C ATOM 1405 CE2 PHE A 91 20.092 -6.002 -12.385 1.00 0.00 C ATOM 1406 CZ PHE A 91 20.035 -7.262 -12.894 1.00 0.00 C ATOM 0 H PHE A 91 14.233 -4.463 -13.541 1.00 0.00 H new ATOM 0 HA PHE A 91 15.475 -6.265 -11.785 1.00 0.00 H new ATOM 0 HB2 PHE A 91 16.124 -4.740 -13.968 1.00 0.00 H new ATOM 0 HB3 PHE A 91 16.824 -3.732 -12.717 1.00 0.00 H new ATOM 0 HD1 PHE A 91 16.796 -7.277 -13.863 1.00 0.00 H new ATOM 0 HD2 PHE A 91 18.981 -4.175 -12.002 1.00 0.00 H new ATOM 0 HE1 PHE A 91 18.828 -8.732 -13.825 1.00 0.00 H new ATOM 0 HE2 PHE A 91 21.015 -5.630 -11.965 1.00 0.00 H new ATOM 0 HZ PHE A 91 20.913 -7.890 -12.879 1.00 0.00 H new ATOM 1416 N MET A 92 14.771 -3.452 -10.458 1.00 0.00 N ATOM 1417 CA MET A 92 14.828 -2.661 -9.241 1.00 0.00 C ATOM 1418 C MET A 92 14.161 -3.397 -8.077 1.00 0.00 C ATOM 1419 O MET A 92 14.098 -2.877 -6.964 1.00 0.00 O ATOM 1420 CB MET A 92 14.123 -1.322 -9.469 1.00 0.00 C ATOM 1421 CG MET A 92 15.086 -0.152 -9.256 1.00 0.00 C ATOM 1422 SD MET A 92 16.075 0.100 -10.721 1.00 0.00 S ATOM 1423 CE MET A 92 17.037 1.512 -10.207 1.00 0.00 C ATOM 0 H MET A 92 14.045 -3.170 -11.117 1.00 0.00 H new ATOM 0 HA MET A 92 15.875 -2.493 -8.988 1.00 0.00 H new ATOM 0 HB2 MET A 92 13.720 -1.287 -10.481 1.00 0.00 H new ATOM 0 HB3 MET A 92 13.278 -1.231 -8.787 1.00 0.00 H new ATOM 0 HG2 MET A 92 14.525 0.754 -9.026 1.00 0.00 H new ATOM 0 HG3 MET A 92 15.732 -0.353 -8.401 1.00 0.00 H new ATOM 0 HE1 MET A 92 17.713 1.804 -11.011 1.00 0.00 H new ATOM 0 HE2 MET A 92 16.370 2.342 -9.975 1.00 0.00 H new ATOM 0 HE3 MET A 92 17.617 1.254 -9.321 1.00 0.00 H new ATOM 1433 N GLY A 93 13.680 -4.595 -8.374 1.00 0.00 N ATOM 1434 CA GLY A 93 13.020 -5.407 -7.366 1.00 0.00 C ATOM 1435 C GLY A 93 11.775 -4.704 -6.824 1.00 0.00 C ATOM 1436 O GLY A 93 11.217 -5.116 -5.807 1.00 0.00 O ATOM 0 H GLY A 93 13.734 -5.023 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.741 -6.369 -7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.711 -5.611 -6.549 1.00 0.00 H new ATOM 1440 N GLY A 94 11.374 -3.654 -7.526 1.00 0.00 N ATOM 1441 CA GLY A 94 10.205 -2.889 -7.128 1.00 0.00 C ATOM 1442 C GLY A 94 10.575 -1.434 -6.834 1.00 0.00 C ATOM 1443 O GLY A 94 10.831 -1.075 -5.685 1.00 0.00 O ATOM 0 H GLY A 94 11.839 -3.315 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.456 -2.925 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.755 -3.339 -6.243 1.00 0.00 H new ATOM 1447 N GLY A 95 10.592 -0.636 -7.891 1.00 0.00 N ATOM 1448 CA GLY A 95 10.927 0.772 -7.760 1.00 0.00 C ATOM 1449 C GLY A 95 9.677 1.609 -7.479 1.00 0.00 C ATOM 1450 O GLY A 95 8.812 1.747 -8.342 1.00 0.00 O ATOM 0 H GLY A 95 10.379 -0.937 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.647 0.905 -6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.406 1.122 -8.674 1.00 0.00 H new ATOM 1454 N PHE A 96 9.623 2.146 -6.269 1.00 0.00 N ATOM 1455 CA PHE A 96 8.494 2.965 -5.864 1.00 0.00 C ATOM 1456 C PHE A 96 8.531 4.329 -6.556 1.00 0.00 C ATOM 1457 O PHE A 96 9.591 4.941 -6.675 1.00 0.00 O ATOM 1458 CB PHE A 96 8.610 3.171 -4.352 1.00 0.00 C ATOM 1459 CG PHE A 96 10.025 3.509 -3.877 1.00 0.00 C ATOM 1460 CD1 PHE A 96 10.532 4.754 -4.082 1.00 0.00 C ATOM 1461 CD2 PHE A 96 10.775 2.564 -3.249 1.00 0.00 C ATOM 1462 CE1 PHE A 96 11.845 5.067 -3.641 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.088 2.878 -2.808 1.00 0.00 C ATOM 1464 CZ PHE A 96 12.595 4.123 -3.014 1.00 0.00 C ATOM 0 H PHE A 96 10.343 2.030 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 96 7.560 2.473 -6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.936 3.973 -4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.274 2.266 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.936 5.505 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.372 1.575 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 96 12.248 6.056 -3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 96 12.684 2.128 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.594 4.361 -2.679 1.00 0.00 H new ATOM 1474 N THR A 97 7.359 4.766 -6.994 1.00 0.00 N ATOM 1475 CA THR A 97 7.243 6.047 -7.671 1.00 0.00 C ATOM 1476 C THR A 97 5.800 6.551 -7.616 1.00 0.00 C ATOM 1477 O THR A 97 4.866 5.759 -7.504 1.00 0.00 O ATOM 1478 CB THR A 97 7.773 5.877 -9.097 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.188 5.979 -8.956 1.00 0.00 O ATOM 1480 CG2 THR A 97 7.403 7.054 -10.003 1.00 0.00 C ATOM 0 H THR A 97 6.482 4.256 -6.893 1.00 0.00 H new ATOM 0 HA THR A 97 7.840 6.812 -7.175 1.00 0.00 H new ATOM 0 HB THR A 97 7.380 4.954 -9.523 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.424 5.958 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.803 6.883 -11.003 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.318 7.145 -10.057 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.824 7.973 -9.596 1.00 0.00 H new ATOM 1488 N ILE A 98 5.663 7.866 -7.697 1.00 0.00 N ATOM 1489 CA ILE A 98 4.349 8.486 -7.657 1.00 0.00 C ATOM 1490 C ILE A 98 4.272 9.578 -8.725 1.00 0.00 C ATOM 1491 O ILE A 98 5.192 10.384 -8.861 1.00 0.00 O ATOM 1492 CB ILE A 98 4.034 8.983 -6.245 1.00 0.00 C ATOM 1493 CG1 ILE A 98 2.774 9.852 -6.238 1.00 0.00 C ATOM 1494 CG2 ILE A 98 5.236 9.711 -5.639 1.00 0.00 C ATOM 1495 CD1 ILE A 98 1.780 9.367 -5.182 1.00 0.00 C ATOM 0 H ILE A 98 6.440 8.520 -7.790 1.00 0.00 H new ATOM 0 HA ILE A 98 3.576 7.755 -7.892 1.00 0.00 H new ATOM 0 HB ILE A 98 3.831 8.117 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.044 10.889 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.306 9.828 -7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.985 10.054 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.086 9.030 -5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.494 10.568 -6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.894 10.001 -5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.493 8.338 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.243 9.416 -4.197 1.00 0.00 H new ATOM 1507 N ARG A 99 3.167 9.569 -9.457 1.00 0.00 N ATOM 1508 CA ARG A 99 2.959 10.549 -10.509 1.00 0.00 C ATOM 1509 C ARG A 99 1.903 11.571 -10.081 1.00 0.00 C ATOM 1510 O ARG A 99 0.732 11.230 -9.923 1.00 0.00 O ATOM 1511 CB ARG A 99 2.510 9.876 -11.807 1.00 0.00 C ATOM 1512 CG ARG A 99 3.696 9.655 -12.748 1.00 0.00 C ATOM 1513 CD ARG A 99 3.553 8.336 -13.511 1.00 0.00 C ATOM 1514 NE ARG A 99 2.523 8.471 -14.565 1.00 0.00 N ATOM 1515 CZ ARG A 99 2.758 8.975 -15.784 1.00 0.00 C ATOM 1516 NH1 ARG A 99 3.989 9.395 -16.110 1.00 0.00 N ATOM 1517 NH2 ARG A 99 1.763 9.059 -16.678 1.00 0.00 N ATOM 0 H ARG A 99 2.407 8.899 -9.342 1.00 0.00 H new ATOM 0 HA ARG A 99 3.909 11.054 -10.684 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.038 8.920 -11.581 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.760 10.494 -12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.763 10.482 -13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.623 9.649 -12.175 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.508 8.059 -13.957 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.279 7.536 -12.823 1.00 0.00 H new ATOM 0 HE ARG A 99 1.575 8.161 -14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.747 9.331 -15.430 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.168 9.779 -17.038 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.827 8.739 -16.430 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.942 9.443 -17.606 1.00 0.00 H new ATOM 1531 N ASN A 100 2.356 12.804 -9.905 1.00 0.00 N ATOM 1532 CA ASN A 100 1.465 13.877 -9.499 1.00 0.00 C ATOM 1533 C ASN A 100 1.233 14.818 -10.683 1.00 0.00 C ATOM 1534 O ASN A 100 2.139 15.052 -11.481 1.00 0.00 O ATOM 1535 CB ASN A 100 2.073 14.695 -8.358 1.00 0.00 C ATOM 1536 CG ASN A 100 1.316 14.458 -7.049 1.00 0.00 C ATOM 1537 OD1 ASN A 100 0.133 14.731 -6.928 1.00 0.00 O ATOM 1538 ND2 ASN A 100 2.062 13.935 -6.080 1.00 0.00 N ATOM 0 H ASN A 100 3.328 13.083 -10.036 1.00 0.00 H new ATOM 0 HA ASN A 100 0.529 13.429 -9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.121 14.424 -8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.046 15.755 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.649 13.738 -5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.047 13.730 -6.249 1.00 0.00 H new ATOM 1545 N PRO A 101 -0.018 15.345 -10.762 1.00 0.00 N ATOM 1546 CA PRO A 101 -0.381 16.254 -11.836 1.00 0.00 C ATOM 1547 C PRO A 101 0.226 17.640 -11.608 1.00 0.00 C ATOM 1548 O PRO A 101 -0.419 18.518 -11.038 1.00 0.00 O ATOM 1549 CB PRO A 101 -1.901 16.266 -11.845 1.00 0.00 C ATOM 1550 CG PRO A 101 -2.330 15.731 -10.488 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.117 15.090 -9.835 1.00 0.00 C ATOM 0 HA PRO A 101 0.007 15.938 -12.804 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -2.283 17.274 -12.006 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -2.292 15.645 -12.651 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.717 16.537 -9.865 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.132 15.002 -10.601 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.918 15.526 -8.856 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.267 14.021 -9.684 1.00 0.00 H new TER 1559 PRO A 101