USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 814 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 37 LYS NZ :NH3+ -113:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.25 K(o=2.5,f=-4.4) USER MOD Set 2.1: A 11 CYS SG : rot 130:sc= -0.334 USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.857 K(o=-1.2,f=-12!) USER MOD Set 3.1: A 9 CYS SG : rot -33:sc= 0.754 USER MOD Set 3.2: A 64 SER OG : rot 10:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.00919 (180deg=-0.00455) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= 0.539 (180deg=0.526) USER MOD Single : A 4 LYS NZ :NH3+ 135:sc= 1.27 (180deg=-0.359) USER MOD Single : A 13 MET CE :methyl 162:sc= -0.107 (180deg=-0.591) USER MOD Single : A 18 THR OG1 : rot -28:sc=-0.00241 USER MOD Single : A 20 MET CE :methyl -120:sc= -1.75 (180deg=-2.26!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot -156:sc= -1.21 USER MOD Single : A 40 THR OG1 : rot -140:sc= -0.886 USER MOD Single : A 41 GLN : amide:sc= -4.64! C(o=-4.6!,f=-6.5!) USER MOD Single : A 47 GLN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 51 THR OG1 : rot -64:sc= 0.826 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0.126 K(o=0.13,f=-2.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.656 K(o=0.66,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.706 X(o=-0.71,f=-1) USER MOD Single : A 97 LYS NZ :NH3+ -117:sc= 1.23 (180deg=0.658) USER MOD Single : A 102 MET CE :methyl -177:sc= -0.99 (180deg=-1.01) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.378 K(o=-0.38,f=-3.9!) USER MOD Single : A 108 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.846 1.533 -0.693 1.00 0.00 N ATOM 2 CA MET A 1 3.866 1.746 -1.744 1.00 0.00 C ATOM 3 C MET A 1 4.715 0.480 -1.884 1.00 0.00 C ATOM 4 O MET A 1 5.061 -0.149 -0.873 1.00 0.00 O ATOM 5 CB MET A 1 4.778 2.959 -1.403 1.00 0.00 C ATOM 6 CG MET A 1 4.064 4.317 -1.362 1.00 0.00 C ATOM 7 SD MET A 1 5.187 5.686 -0.997 1.00 0.00 S ATOM 8 CE MET A 1 4.063 7.085 -0.992 1.00 0.00 C ATOM 0 H1 MET A 1 1.896 1.606 -1.111 1.00 0.00 H new ATOM 0 H2 MET A 1 2.969 0.588 -0.276 1.00 0.00 H new ATOM 0 H3 MET A 1 2.955 2.255 0.048 1.00 0.00 H new ATOM 0 HA MET A 1 3.359 1.961 -2.685 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.245 2.782 -0.434 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.580 3.009 -2.139 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.579 4.497 -2.321 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.278 4.287 -0.608 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.619 7.998 -0.780 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.584 7.170 -1.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.302 6.938 -0.226 1.00 0.00 H new ATOM 18 N SER A 2 5.040 0.110 -3.132 1.00 0.00 N ATOM 19 CA SER A 2 5.906 -1.033 -3.417 1.00 0.00 C ATOM 20 C SER A 2 7.354 -0.671 -3.033 1.00 0.00 C ATOM 21 O SER A 2 8.095 -0.077 -3.828 1.00 0.00 O ATOM 22 CB SER A 2 5.798 -1.440 -4.907 1.00 0.00 C ATOM 23 OG SER A 2 6.511 -2.638 -5.168 1.00 0.00 O ATOM 0 H SER A 2 4.709 0.596 -3.966 1.00 0.00 H new ATOM 0 HA SER A 2 5.590 -1.893 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.750 -1.573 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.188 -0.638 -5.534 1.00 0.00 H new ATOM 0 HG SER A 2 6.423 -2.871 -6.116 1.00 0.00 H new ATOM 29 N LYS A 3 7.710 -0.980 -1.770 1.00 0.00 N ATOM 30 CA LYS A 3 9.053 -0.716 -1.218 1.00 0.00 C ATOM 31 C LYS A 3 10.123 -1.571 -1.924 1.00 0.00 C ATOM 32 O LYS A 3 9.808 -2.449 -2.752 1.00 0.00 O ATOM 33 CB LYS A 3 9.092 -0.901 0.344 1.00 0.00 C ATOM 34 CG LYS A 3 8.105 -1.931 0.929 1.00 0.00 C ATOM 35 CD LYS A 3 8.282 -2.118 2.463 1.00 0.00 C ATOM 36 CE LYS A 3 7.574 -3.378 2.990 1.00 0.00 C ATOM 37 NZ LYS A 3 7.816 -3.615 4.444 1.00 0.00 N ATOM 0 H LYS A 3 7.074 -1.420 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 3 9.287 0.330 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.102 -1.193 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.896 0.065 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.084 -1.611 0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.247 -2.890 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.345 -2.178 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.890 -1.242 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.502 -3.286 2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.916 -4.244 2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.372 -4.511 4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.839 -3.664 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.405 -2.835 4.996 1.00 0.00 H new ATOM 51 N LYS A 4 11.395 -1.327 -1.586 1.00 0.00 N ATOM 52 CA LYS A 4 12.519 -1.942 -2.301 1.00 0.00 C ATOM 53 C LYS A 4 13.646 -2.286 -1.306 1.00 0.00 C ATOM 54 O LYS A 4 13.910 -1.540 -0.359 1.00 0.00 O ATOM 55 CB LYS A 4 12.994 -0.968 -3.439 1.00 0.00 C ATOM 56 CG LYS A 4 13.547 -1.627 -4.728 1.00 0.00 C ATOM 57 CD LYS A 4 14.891 -2.344 -4.531 1.00 0.00 C ATOM 58 CE LYS A 4 15.417 -2.982 -5.823 1.00 0.00 C ATOM 59 NZ LYS A 4 15.603 -1.981 -6.903 1.00 0.00 N ATOM 0 H LYS A 4 11.671 -0.709 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 4 12.213 -2.878 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.154 -0.331 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.767 -0.317 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.815 -2.343 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.663 -0.861 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.627 -1.632 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.778 -3.116 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.366 -3.478 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.720 -3.751 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.519 -2.140 -7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.838 -2.077 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.583 -1.024 -6.497 1.00 0.00 H new ATOM 73 N LEU A 5 14.293 -3.424 -1.549 1.00 0.00 N ATOM 74 CA LEU A 5 15.444 -3.908 -0.791 1.00 0.00 C ATOM 75 C LEU A 5 16.510 -4.309 -1.794 1.00 0.00 C ATOM 76 O LEU A 5 16.211 -4.935 -2.816 1.00 0.00 O ATOM 77 CB LEU A 5 15.054 -5.118 0.115 1.00 0.00 C ATOM 78 CG LEU A 5 16.207 -5.761 0.991 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.672 -6.300 2.328 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.961 -6.902 0.265 1.00 0.00 C ATOM 0 H LEU A 5 14.021 -4.055 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 5 15.815 -3.126 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.258 -4.796 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.637 -5.898 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 5 16.910 -4.948 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.492 -6.733 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.224 -5.485 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.920 -7.065 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.737 -7.299 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.260 -7.697 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.417 -6.515 -0.646 1.00 0.00 H new ATOM 92 N ILE A 6 17.751 -3.931 -1.524 1.00 0.00 N ATOM 93 CA ILE A 6 18.906 -4.411 -2.276 1.00 0.00 C ATOM 94 C ILE A 6 19.915 -4.979 -1.282 1.00 0.00 C ATOM 95 O ILE A 6 19.866 -4.668 -0.084 1.00 0.00 O ATOM 96 CB ILE A 6 19.556 -3.287 -3.165 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.279 -2.209 -2.303 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.500 -2.643 -4.089 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.902 -1.083 -3.097 1.00 0.00 C ATOM 0 H ILE A 6 17.988 -3.281 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 6 18.580 -5.185 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 6 20.315 -3.760 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.563 -1.786 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.057 -2.695 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.970 -1.869 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.074 -3.405 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.709 -2.200 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.383 -0.380 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.645 -1.489 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.128 -0.567 -3.665 1.00 0.00 H new ATOM 111 N ALA A 7 20.806 -5.828 -1.772 1.00 0.00 N ATOM 112 CA ALA A 7 21.881 -6.399 -0.963 1.00 0.00 C ATOM 113 C ALA A 7 23.129 -6.576 -1.819 1.00 0.00 C ATOM 114 O ALA A 7 23.079 -6.451 -3.044 1.00 0.00 O ATOM 115 CB ALA A 7 21.442 -7.720 -0.308 1.00 0.00 C ATOM 0 H ALA A 7 20.807 -6.143 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 7 22.119 -5.711 -0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.262 -8.121 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.581 -7.539 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.171 -8.438 -1.082 1.00 0.00 H new ATOM 121 N LEU A 8 24.248 -6.870 -1.163 1.00 0.00 N ATOM 122 CA LEU A 8 25.538 -7.007 -1.822 1.00 0.00 C ATOM 123 C LEU A 8 26.318 -8.107 -1.104 1.00 0.00 C ATOM 124 O LEU A 8 26.705 -7.946 0.056 1.00 0.00 O ATOM 125 CB LEU A 8 26.294 -5.640 -1.809 1.00 0.00 C ATOM 126 CG LEU A 8 27.424 -5.438 -2.876 1.00 0.00 C ATOM 127 CD1 LEU A 8 27.940 -3.987 -2.864 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.596 -6.419 -2.685 1.00 0.00 C ATOM 0 H LEU A 8 24.283 -7.020 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 8 25.417 -7.287 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.559 -4.846 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.734 -5.506 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 8 26.976 -5.649 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.723 -3.873 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.119 -3.307 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.343 -3.752 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.351 -6.237 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.036 -6.273 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.232 -7.443 -2.772 1.00 0.00 H new ATOM 140 N CYS A 9 26.526 -9.219 -1.805 1.00 0.00 N ATOM 141 CA CYS A 9 27.310 -10.349 -1.328 1.00 0.00 C ATOM 142 C CYS A 9 28.707 -10.301 -1.972 1.00 0.00 C ATOM 143 O CYS A 9 28.831 -10.525 -3.169 1.00 0.00 O ATOM 144 CB CYS A 9 26.566 -11.653 -1.678 1.00 0.00 C ATOM 145 SG CYS A 9 24.852 -11.690 -1.102 1.00 0.00 S ATOM 0 H CYS A 9 26.145 -9.360 -2.740 1.00 0.00 H new ATOM 0 HA CYS A 9 27.436 -10.306 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.579 -11.789 -2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.104 -12.496 -1.244 1.00 0.00 H new ATOM 0 HG CYS A 9 24.756 -11.037 0.018 1.00 0.00 H new ATOM 151 N ALA A 10 29.754 -9.993 -1.177 1.00 0.00 N ATOM 152 CA ALA A 10 31.146 -9.884 -1.695 1.00 0.00 C ATOM 153 C ALA A 10 32.104 -10.759 -0.867 1.00 0.00 C ATOM 154 O ALA A 10 32.294 -10.530 0.337 1.00 0.00 O ATOM 155 CB ALA A 10 31.626 -8.420 -1.742 1.00 0.00 C ATOM 0 H ALA A 10 29.668 -9.815 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 10 31.147 -10.253 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.646 -8.384 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 10 30.972 -7.843 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.601 -7.996 -0.738 1.00 0.00 H new ATOM 161 N CYS A 11 32.688 -11.777 -1.527 1.00 0.00 N ATOM 162 CA CYS A 11 33.577 -12.769 -0.891 1.00 0.00 C ATOM 163 C CYS A 11 34.945 -12.792 -1.601 1.00 0.00 C ATOM 164 O CYS A 11 34.995 -12.657 -2.828 1.00 0.00 O ATOM 165 CB CYS A 11 32.940 -14.174 -0.968 1.00 0.00 C ATOM 166 SG CYS A 11 33.857 -15.470 -0.110 1.00 0.00 S ATOM 0 H CYS A 11 32.555 -11.936 -2.526 1.00 0.00 H new ATOM 0 HA CYS A 11 33.718 -12.489 0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 11 31.934 -14.124 -0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 11 32.838 -14.454 -2.016 1.00 0.00 H new ATOM 0 HG CYS A 11 33.050 -16.133 0.664 1.00 0.00 H new ATOM 172 N PRO A 12 36.075 -12.974 -0.848 1.00 0.00 N ATOM 173 CA PRO A 12 37.432 -13.133 -1.447 1.00 0.00 C ATOM 174 C PRO A 12 37.636 -14.509 -2.136 1.00 0.00 C ATOM 175 O PRO A 12 38.572 -14.677 -2.927 1.00 0.00 O ATOM 176 CB PRO A 12 38.364 -12.972 -0.220 1.00 0.00 C ATOM 177 CG PRO A 12 37.544 -13.469 0.929 1.00 0.00 C ATOM 178 CD PRO A 12 36.136 -13.003 0.647 1.00 0.00 C ATOM 0 HA PRO A 12 37.620 -12.414 -2.244 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.280 -13.552 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.660 -11.933 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.591 -14.555 1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.909 -13.068 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.395 -13.684 1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 12 35.944 -12.020 1.076 1.00 0.00 H new ATOM 186 N MET A 13 36.752 -15.477 -1.819 1.00 0.00 N ATOM 187 CA MET A 13 36.813 -16.843 -2.369 1.00 0.00 C ATOM 188 C MET A 13 36.386 -16.864 -3.847 1.00 0.00 C ATOM 189 O MET A 13 37.121 -17.341 -4.717 1.00 0.00 O ATOM 190 CB MET A 13 35.893 -17.789 -1.553 1.00 0.00 C ATOM 191 CG MET A 13 36.252 -17.931 -0.069 1.00 0.00 C ATOM 192 SD MET A 13 35.085 -19.000 0.817 1.00 0.00 S ATOM 193 CE MET A 13 35.231 -20.544 -0.085 1.00 0.00 C ATOM 0 H MET A 13 35.976 -15.331 -1.174 1.00 0.00 H new ATOM 0 HA MET A 13 37.845 -17.186 -2.299 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.868 -17.427 -1.629 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.917 -18.777 -2.012 1.00 0.00 H new ATOM 0 HG2 MET A 13 37.258 -18.340 0.022 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.265 -16.945 0.396 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.833 -21.358 0.521 1.00 0.00 H new ATOM 0 HE2 MET A 13 34.668 -20.476 -1.016 1.00 0.00 H new ATOM 0 HE3 MET A 13 36.280 -20.737 -0.308 1.00 0.00 H new ATOM 203 N GLY A 14 35.180 -16.336 -4.106 1.00 0.00 N ATOM 204 CA GLY A 14 34.582 -16.358 -5.441 1.00 0.00 C ATOM 205 C GLY A 14 33.082 -16.128 -5.392 1.00 0.00 C ATOM 206 O GLY A 14 32.508 -15.937 -4.308 1.00 0.00 O ATOM 0 H GLY A 14 34.599 -15.886 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 14 35.047 -15.591 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.787 -17.318 -5.915 1.00 0.00 H new ATOM 210 N LEU A 15 32.440 -16.178 -6.569 1.00 0.00 N ATOM 211 CA LEU A 15 30.999 -15.923 -6.707 1.00 0.00 C ATOM 212 C LEU A 15 30.130 -17.094 -6.211 1.00 0.00 C ATOM 213 O LEU A 15 28.940 -16.913 -6.013 1.00 0.00 O ATOM 214 CB LEU A 15 30.634 -15.544 -8.169 1.00 0.00 C ATOM 215 CG LEU A 15 31.087 -14.124 -8.645 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.610 -13.824 -10.085 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.606 -13.032 -7.670 1.00 0.00 C ATOM 0 H LEU A 15 32.905 -16.396 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 15 30.776 -15.074 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.074 -16.286 -8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.552 -15.615 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 15 32.177 -14.118 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.944 -12.829 -10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.027 -14.564 -10.768 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.522 -13.867 -10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.935 -12.056 -8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.518 -13.049 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 15 31.024 -13.218 -6.681 1.00 0.00 H new ATOM 229 N ALA A 16 30.723 -18.275 -6.005 1.00 0.00 N ATOM 230 CA ALA A 16 29.992 -19.444 -5.472 1.00 0.00 C ATOM 231 C ALA A 16 29.411 -19.145 -4.067 1.00 0.00 C ATOM 232 O ALA A 16 28.203 -19.333 -3.810 1.00 0.00 O ATOM 233 CB ALA A 16 30.920 -20.660 -5.436 1.00 0.00 C ATOM 0 H ALA A 16 31.709 -18.453 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 16 29.152 -19.663 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.378 -21.520 -5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 16 31.269 -20.881 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.775 -20.446 -4.795 1.00 0.00 H new ATOM 239 N HIS A 17 30.286 -18.619 -3.184 1.00 0.00 N ATOM 240 CA HIS A 17 29.924 -18.264 -1.797 1.00 0.00 C ATOM 241 C HIS A 17 28.890 -17.115 -1.792 1.00 0.00 C ATOM 242 O HIS A 17 27.905 -17.142 -1.026 1.00 0.00 O ATOM 243 CB HIS A 17 31.205 -17.876 -0.986 1.00 0.00 C ATOM 244 CG HIS A 17 31.032 -17.890 0.521 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.539 -16.921 1.366 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.448 -18.805 1.329 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.250 -17.237 2.618 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.598 -18.373 2.619 1.00 0.00 N ATOM 0 H HIS A 17 31.262 -18.429 -3.413 1.00 0.00 H new ATOM 0 HA HIS A 17 29.469 -19.130 -1.315 1.00 0.00 H new ATOM 0 HB2 HIS A 17 32.008 -18.563 -1.252 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.524 -16.880 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.953 -19.712 1.013 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.508 -16.656 3.491 1.00 0.00 H new ATOM 0 HE2 HIS A 17 30.257 -18.858 3.449 1.00 0.00 H new ATOM 257 N THR A 18 29.099 -16.138 -2.703 1.00 0.00 N ATOM 258 CA THR A 18 28.239 -14.948 -2.821 1.00 0.00 C ATOM 259 C THR A 18 26.826 -15.324 -3.315 1.00 0.00 C ATOM 260 O THR A 18 25.854 -14.724 -2.884 1.00 0.00 O ATOM 261 CB THR A 18 28.841 -13.873 -3.787 1.00 0.00 C ATOM 262 OG1 THR A 18 28.813 -14.334 -5.134 1.00 0.00 O ATOM 263 CG2 THR A 18 30.283 -13.498 -3.431 1.00 0.00 C ATOM 0 H THR A 18 29.867 -16.156 -3.373 1.00 0.00 H new ATOM 0 HA THR A 18 28.177 -14.522 -1.820 1.00 0.00 H new ATOM 0 HB THR A 18 28.218 -12.985 -3.675 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.860 -15.313 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.648 -12.749 -4.134 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.314 -13.092 -2.420 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.914 -14.385 -3.485 1.00 0.00 H new ATOM 271 N PHE A 19 26.740 -16.321 -4.228 1.00 0.00 N ATOM 272 CA PHE A 19 25.457 -16.768 -4.821 1.00 0.00 C ATOM 273 C PHE A 19 24.581 -17.480 -3.788 1.00 0.00 C ATOM 274 O PHE A 19 23.361 -17.398 -3.865 1.00 0.00 O ATOM 275 CB PHE A 19 25.671 -17.696 -6.056 1.00 0.00 C ATOM 276 CG PHE A 19 26.203 -17.025 -7.330 1.00 0.00 C ATOM 277 CD1 PHE A 19 26.094 -15.648 -7.534 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.806 -17.790 -8.333 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.573 -15.062 -8.689 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.282 -17.200 -9.489 1.00 0.00 C ATOM 281 CZ PHE A 19 27.165 -15.837 -9.669 1.00 0.00 C ATOM 0 H PHE A 19 27.551 -16.834 -4.572 1.00 0.00 H new ATOM 0 HA PHE A 19 24.946 -15.866 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.364 -18.488 -5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.720 -18.174 -6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.629 -15.033 -6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 19 26.901 -18.858 -8.203 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.485 -13.995 -8.827 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.746 -17.807 -10.252 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.535 -15.377 -10.573 1.00 0.00 H new ATOM 291 N MET A 20 25.213 -18.191 -2.835 1.00 0.00 N ATOM 292 CA MET A 20 24.472 -18.845 -1.730 1.00 0.00 C ATOM 293 C MET A 20 23.859 -17.792 -0.782 1.00 0.00 C ATOM 294 O MET A 20 22.734 -17.961 -0.295 1.00 0.00 O ATOM 295 CB MET A 20 25.385 -19.818 -0.948 1.00 0.00 C ATOM 296 CG MET A 20 25.918 -20.993 -1.783 1.00 0.00 C ATOM 297 SD MET A 20 26.818 -22.215 -0.798 1.00 0.00 S ATOM 298 CE MET A 20 28.092 -21.211 -0.053 1.00 0.00 C ATOM 0 H MET A 20 26.223 -18.329 -2.804 1.00 0.00 H new ATOM 0 HA MET A 20 23.660 -19.424 -2.169 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.231 -19.260 -0.546 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.830 -20.214 -0.097 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.083 -21.483 -2.284 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.576 -20.608 -2.562 1.00 0.00 H new ATOM 0 HE1 MET A 20 29.071 -21.585 -0.352 1.00 0.00 H new ATOM 0 HE2 MET A 20 27.981 -20.178 -0.384 1.00 0.00 H new ATOM 0 HE3 MET A 20 28.003 -21.256 1.032 1.00 0.00 H new ATOM 308 N ALA A 21 24.615 -16.702 -0.543 1.00 0.00 N ATOM 309 CA ALA A 21 24.133 -15.548 0.252 1.00 0.00 C ATOM 310 C ALA A 21 23.042 -14.767 -0.499 1.00 0.00 C ATOM 311 O ALA A 21 22.044 -14.360 0.093 1.00 0.00 O ATOM 312 CB ALA A 21 25.301 -14.626 0.609 1.00 0.00 C ATOM 0 H ALA A 21 25.568 -16.594 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 21 23.693 -15.933 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.933 -13.782 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.036 -15.179 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.767 -14.259 -0.305 1.00 0.00 H new ATOM 318 N ALA A 22 23.246 -14.602 -1.816 1.00 0.00 N ATOM 319 CA ALA A 22 22.334 -13.857 -2.702 1.00 0.00 C ATOM 320 C ALA A 22 21.006 -14.594 -2.846 1.00 0.00 C ATOM 321 O ALA A 22 19.951 -13.979 -2.905 1.00 0.00 O ATOM 322 CB ALA A 22 22.981 -13.647 -4.077 1.00 0.00 C ATOM 0 H ALA A 22 24.057 -14.986 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 22 22.139 -12.882 -2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.296 -13.095 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.905 -13.081 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.202 -14.615 -4.527 1.00 0.00 H new ATOM 328 N GLN A 23 21.088 -15.927 -2.891 1.00 0.00 N ATOM 329 CA GLN A 23 19.920 -16.807 -2.934 1.00 0.00 C ATOM 330 C GLN A 23 19.090 -16.633 -1.657 1.00 0.00 C ATOM 331 O GLN A 23 17.904 -16.314 -1.722 1.00 0.00 O ATOM 332 CB GLN A 23 20.380 -18.279 -3.104 1.00 0.00 C ATOM 333 CG GLN A 23 19.258 -19.328 -3.003 1.00 0.00 C ATOM 334 CD GLN A 23 19.732 -20.740 -3.352 1.00 0.00 C ATOM 335 OE1 GLN A 23 20.170 -21.497 -2.483 1.00 0.00 O ATOM 336 NE2 GLN A 23 19.664 -21.102 -4.627 1.00 0.00 N ATOM 0 H GLN A 23 21.976 -16.429 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 23 19.294 -16.542 -3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.867 -18.382 -4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.131 -18.499 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 23 18.855 -19.325 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.444 -19.048 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.296 -20.453 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.979 -22.029 -4.911 1.00 0.00 H new ATOM 345 N ALA A 24 19.761 -16.771 -0.509 1.00 0.00 N ATOM 346 CA ALA A 24 19.116 -16.786 0.807 1.00 0.00 C ATOM 347 C ALA A 24 18.443 -15.432 1.144 1.00 0.00 C ATOM 348 O ALA A 24 17.274 -15.400 1.564 1.00 0.00 O ATOM 349 CB ALA A 24 20.155 -17.193 1.856 1.00 0.00 C ATOM 0 H ALA A 24 20.775 -16.876 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 24 18.308 -17.517 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.690 -17.209 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.540 -18.185 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 24 20.975 -16.475 1.853 1.00 0.00 H new ATOM 355 N LEU A 25 19.180 -14.322 0.931 1.00 0.00 N ATOM 356 CA LEU A 25 18.668 -12.952 1.174 1.00 0.00 C ATOM 357 C LEU A 25 17.501 -12.614 0.234 1.00 0.00 C ATOM 358 O LEU A 25 16.586 -11.876 0.622 1.00 0.00 O ATOM 359 CB LEU A 25 19.785 -11.888 1.006 1.00 0.00 C ATOM 360 CG LEU A 25 20.932 -11.923 2.052 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.985 -10.836 1.755 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.393 -11.784 3.496 1.00 0.00 C ATOM 0 H LEU A 25 20.140 -14.346 0.588 1.00 0.00 H new ATOM 0 HA LEU A 25 18.312 -12.931 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.223 -12.005 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.324 -10.901 1.037 1.00 0.00 H new ATOM 0 HG LEU A 25 21.414 -12.897 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.777 -10.883 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.410 -11.002 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.513 -9.854 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.225 -11.813 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.865 -10.836 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.709 -12.605 3.710 1.00 0.00 H new ATOM 374 N GLU A 26 17.563 -13.140 -1.007 1.00 0.00 N ATOM 375 CA GLU A 26 16.499 -12.950 -2.003 1.00 0.00 C ATOM 376 C GLU A 26 15.197 -13.562 -1.495 1.00 0.00 C ATOM 377 O GLU A 26 14.196 -12.859 -1.382 1.00 0.00 O ATOM 378 CB GLU A 26 16.892 -13.569 -3.368 1.00 0.00 C ATOM 379 CG GLU A 26 15.838 -13.406 -4.486 1.00 0.00 C ATOM 380 CD GLU A 26 16.292 -13.974 -5.838 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.975 -13.254 -6.594 1.00 0.00 O ATOM 382 OE2 GLU A 26 15.969 -15.144 -6.151 1.00 0.00 O ATOM 0 H GLU A 26 18.346 -13.702 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 26 16.356 -11.880 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.826 -13.115 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.087 -14.632 -3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.917 -13.903 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.605 -12.348 -4.604 1.00 0.00 H new ATOM 389 N GLU A 27 15.267 -14.861 -1.134 1.00 0.00 N ATOM 390 CA GLU A 27 14.125 -15.641 -0.607 1.00 0.00 C ATOM 391 C GLU A 27 13.424 -14.880 0.524 1.00 0.00 C ATOM 392 O GLU A 27 12.234 -14.616 0.445 1.00 0.00 O ATOM 393 CB GLU A 27 14.608 -17.028 -0.101 1.00 0.00 C ATOM 394 CG GLU A 27 15.258 -17.913 -1.181 1.00 0.00 C ATOM 395 CD GLU A 27 15.726 -19.281 -0.657 1.00 0.00 C ATOM 396 OE1 GLU A 27 14.920 -20.236 -0.664 1.00 0.00 O ATOM 397 OE2 GLU A 27 16.894 -19.404 -0.219 1.00 0.00 O ATOM 0 H GLU A 27 16.128 -15.404 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 27 13.410 -15.790 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.325 -16.876 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.758 -17.561 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.544 -18.068 -1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.111 -17.385 -1.606 1.00 0.00 H new ATOM 404 N ALA A 28 14.230 -14.455 1.506 1.00 0.00 N ATOM 405 CA ALA A 28 13.784 -13.710 2.698 1.00 0.00 C ATOM 406 C ALA A 28 13.022 -12.419 2.325 1.00 0.00 C ATOM 407 O ALA A 28 11.895 -12.190 2.783 1.00 0.00 O ATOM 408 CB ALA A 28 15.009 -13.375 3.556 1.00 0.00 C ATOM 0 H ALA A 28 15.236 -14.622 1.496 1.00 0.00 H new ATOM 0 HA ALA A 28 13.089 -14.337 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.693 -12.824 4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.503 -14.298 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.703 -12.765 2.977 1.00 0.00 H new ATOM 414 N ALA A 29 13.654 -11.607 1.468 1.00 0.00 N ATOM 415 CA ALA A 29 13.089 -10.334 0.982 1.00 0.00 C ATOM 416 C ALA A 29 11.834 -10.519 0.092 1.00 0.00 C ATOM 417 O ALA A 29 11.004 -9.605 -0.011 1.00 0.00 O ATOM 418 CB ALA A 29 14.170 -9.542 0.240 1.00 0.00 C ATOM 0 H ALA A 29 14.578 -11.813 1.088 1.00 0.00 H new ATOM 0 HA ALA A 29 12.755 -9.776 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.751 -8.602 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.999 -9.335 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.531 -10.125 -0.608 1.00 0.00 H new ATOM 424 N VAL A 30 11.674 -11.715 -0.514 1.00 0.00 N ATOM 425 CA VAL A 30 10.499 -12.025 -1.366 1.00 0.00 C ATOM 426 C VAL A 30 9.289 -12.292 -0.457 1.00 0.00 C ATOM 427 O VAL A 30 8.159 -11.878 -0.748 1.00 0.00 O ATOM 428 CB VAL A 30 10.777 -13.264 -2.313 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.493 -13.772 -3.020 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.852 -12.924 -3.369 1.00 0.00 C ATOM 0 H VAL A 30 12.341 -12.482 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 30 10.294 -11.173 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 30 11.142 -14.065 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.740 -14.622 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.763 -14.080 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.073 -12.972 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.024 -13.792 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.511 -12.088 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.781 -12.652 -2.868 1.00 0.00 H new ATOM 440 N GLU A 31 9.572 -12.952 0.672 1.00 0.00 N ATOM 441 CA GLU A 31 8.578 -13.293 1.699 1.00 0.00 C ATOM 442 C GLU A 31 8.223 -12.045 2.545 1.00 0.00 C ATOM 443 O GLU A 31 7.177 -12.010 3.202 1.00 0.00 O ATOM 444 CB GLU A 31 9.137 -14.441 2.582 1.00 0.00 C ATOM 445 CG GLU A 31 9.698 -15.634 1.776 1.00 0.00 C ATOM 446 CD GLU A 31 8.654 -16.372 0.921 1.00 0.00 C ATOM 447 OE1 GLU A 31 7.851 -17.140 1.481 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.638 -16.188 -0.319 1.00 0.00 O ATOM 0 H GLU A 31 10.513 -13.270 0.902 1.00 0.00 H new ATOM 0 HA GLU A 31 7.657 -13.633 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.926 -14.044 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.345 -14.800 3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.494 -15.274 1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.150 -16.344 2.469 1.00 0.00 H new ATOM 455 N ALA A 32 9.117 -11.034 2.514 1.00 0.00 N ATOM 456 CA ALA A 32 8.880 -9.715 3.126 1.00 0.00 C ATOM 457 C ALA A 32 7.967 -8.842 2.236 1.00 0.00 C ATOM 458 O ALA A 32 7.391 -7.853 2.705 1.00 0.00 O ATOM 459 CB ALA A 32 10.215 -9.026 3.401 1.00 0.00 C ATOM 0 H ALA A 32 10.027 -11.113 2.061 1.00 0.00 H new ATOM 0 HA ALA A 32 8.361 -9.856 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.035 -8.051 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.807 -9.638 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.757 -8.897 2.464 1.00 0.00 H new ATOM 465 N GLY A 33 7.862 -9.204 0.941 1.00 0.00 N ATOM 466 CA GLY A 33 6.815 -8.672 0.055 1.00 0.00 C ATOM 467 C GLY A 33 7.240 -7.495 -0.820 1.00 0.00 C ATOM 468 O GLY A 33 6.411 -6.963 -1.570 1.00 0.00 O ATOM 0 H GLY A 33 8.493 -9.865 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.465 -9.477 -0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.967 -8.362 0.666 1.00 0.00 H new ATOM 472 N TYR A 34 8.510 -7.072 -0.728 1.00 0.00 N ATOM 473 CA TYR A 34 9.065 -5.991 -1.584 1.00 0.00 C ATOM 474 C TYR A 34 10.044 -6.530 -2.629 1.00 0.00 C ATOM 475 O TYR A 34 10.399 -7.718 -2.615 1.00 0.00 O ATOM 476 CB TYR A 34 9.726 -4.862 -0.743 1.00 0.00 C ATOM 477 CG TYR A 34 10.634 -5.246 0.440 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.289 -6.475 0.541 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.816 -4.341 1.479 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.059 -6.773 1.638 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.583 -4.635 2.556 1.00 0.00 C ATOM 482 CZ TYR A 34 12.200 -5.848 2.642 1.00 0.00 C ATOM 483 OH TYR A 34 12.955 -6.140 3.747 1.00 0.00 O ATOM 0 H TYR A 34 9.183 -7.460 -0.067 1.00 0.00 H new ATOM 0 HA TYR A 34 8.218 -5.558 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.315 -4.247 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.927 -4.231 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.189 -7.200 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.333 -3.377 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.552 -7.731 1.711 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.706 -3.909 3.346 1.00 0.00 H new ATOM 0 HH TYR A 34 12.666 -5.580 4.498 1.00 0.00 H new ATOM 493 N GLU A 35 10.482 -5.622 -3.527 1.00 0.00 N ATOM 494 CA GLU A 35 11.425 -5.957 -4.602 1.00 0.00 C ATOM 495 C GLU A 35 12.820 -6.211 -4.006 1.00 0.00 C ATOM 496 O GLU A 35 13.187 -5.579 -3.016 1.00 0.00 O ATOM 497 CB GLU A 35 11.480 -4.807 -5.644 1.00 0.00 C ATOM 498 CG GLU A 35 12.296 -5.130 -6.915 1.00 0.00 C ATOM 499 CD GLU A 35 12.267 -4.006 -7.969 1.00 0.00 C ATOM 500 OE1 GLU A 35 11.210 -3.807 -8.599 1.00 0.00 O ATOM 501 OE2 GLU A 35 13.295 -3.328 -8.181 1.00 0.00 O ATOM 0 H GLU A 35 10.191 -4.644 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 35 11.087 -6.862 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.462 -4.551 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.907 -3.924 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.331 -5.325 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.909 -6.046 -7.362 1.00 0.00 H new ATOM 508 N VAL A 36 13.580 -7.142 -4.603 1.00 0.00 N ATOM 509 CA VAL A 36 14.931 -7.491 -4.130 1.00 0.00 C ATOM 510 C VAL A 36 15.920 -7.602 -5.305 1.00 0.00 C ATOM 511 O VAL A 36 15.659 -8.301 -6.292 1.00 0.00 O ATOM 512 CB VAL A 36 14.924 -8.807 -3.266 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.344 -10.024 -4.025 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.335 -9.121 -2.701 1.00 0.00 C ATOM 0 H VAL A 36 13.279 -7.671 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 36 15.268 -6.681 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 36 14.255 -8.617 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.366 -10.901 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.315 -9.814 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 36 14.942 -10.216 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.295 -10.036 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.036 -9.252 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.667 -8.296 -2.071 1.00 0.00 H new ATOM 524 N LYS A 37 17.059 -6.899 -5.186 1.00 0.00 N ATOM 525 CA LYS A 37 18.149 -6.948 -6.178 1.00 0.00 C ATOM 526 C LYS A 37 19.487 -7.061 -5.446 1.00 0.00 C ATOM 527 O LYS A 37 19.862 -6.161 -4.699 1.00 0.00 O ATOM 528 CB LYS A 37 18.149 -5.686 -7.074 1.00 0.00 C ATOM 529 CG LYS A 37 19.206 -5.735 -8.208 1.00 0.00 C ATOM 530 CD LYS A 37 18.852 -6.735 -9.320 1.00 0.00 C ATOM 531 CE LYS A 37 19.970 -6.852 -10.369 1.00 0.00 C ATOM 532 NZ LYS A 37 19.557 -7.666 -11.549 1.00 0.00 N ATOM 0 H LYS A 37 17.251 -6.280 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 37 17.997 -7.816 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.160 -5.563 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.333 -4.809 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.311 -4.741 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.174 -6.001 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.664 -7.714 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.929 -6.422 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.259 -5.855 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.850 -7.302 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.110 -8.546 -11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.545 -7.895 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.728 -7.125 -12.421 1.00 0.00 H new ATOM 546 N ILE A 38 20.190 -8.182 -5.635 1.00 0.00 N ATOM 547 CA ILE A 38 21.452 -8.455 -4.928 1.00 0.00 C ATOM 548 C ILE A 38 22.643 -8.568 -5.897 1.00 0.00 C ATOM 549 O ILE A 38 22.712 -9.503 -6.701 1.00 0.00 O ATOM 550 CB ILE A 38 21.302 -9.766 -4.089 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.030 -9.657 -3.189 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.571 -10.045 -3.238 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.583 -10.939 -2.553 1.00 0.00 C ATOM 0 H ILE A 38 19.906 -8.922 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 38 21.660 -7.615 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 38 21.188 -10.610 -4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.223 -8.928 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.211 -9.265 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.432 -10.963 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.434 -10.153 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.739 -9.214 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.694 -10.755 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.351 -11.668 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.379 -11.327 -1.917 1.00 0.00 H new ATOM 565 N GLU A 39 23.568 -7.600 -5.793 1.00 0.00 N ATOM 566 CA GLU A 39 24.866 -7.625 -6.491 1.00 0.00 C ATOM 567 C GLU A 39 25.803 -8.620 -5.783 1.00 0.00 C ATOM 568 O GLU A 39 25.715 -8.806 -4.569 1.00 0.00 O ATOM 569 CB GLU A 39 25.469 -6.192 -6.501 1.00 0.00 C ATOM 570 CG GLU A 39 26.850 -6.039 -7.157 1.00 0.00 C ATOM 571 CD GLU A 39 27.390 -4.595 -7.062 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.894 -3.723 -7.802 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.279 -4.334 -6.231 1.00 0.00 O ATOM 0 H GLU A 39 23.435 -6.769 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 39 24.737 -7.950 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.771 -5.531 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.539 -5.843 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.554 -6.720 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.786 -6.332 -8.205 1.00 0.00 H new ATOM 580 N THR A 40 26.682 -9.261 -6.561 1.00 0.00 N ATOM 581 CA THR A 40 27.610 -10.293 -6.080 1.00 0.00 C ATOM 582 C THR A 40 29.006 -10.025 -6.657 1.00 0.00 C ATOM 583 O THR A 40 29.163 -9.927 -7.869 1.00 0.00 O ATOM 584 CB THR A 40 27.121 -11.728 -6.481 1.00 0.00 C ATOM 585 OG1 THR A 40 26.710 -11.750 -7.854 1.00 0.00 O ATOM 586 CG2 THR A 40 25.961 -12.211 -5.601 1.00 0.00 C ATOM 0 H THR A 40 26.771 -9.075 -7.560 1.00 0.00 H new ATOM 0 HA THR A 40 27.648 -10.250 -4.992 1.00 0.00 H new ATOM 0 HB THR A 40 27.964 -12.403 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.904 -12.300 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.656 -13.209 -5.916 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.282 -12.241 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.119 -11.526 -5.701 1.00 0.00 H new ATOM 594 N GLN A 41 30.020 -9.892 -5.778 1.00 0.00 N ATOM 595 CA GLN A 41 31.406 -9.567 -6.177 1.00 0.00 C ATOM 596 C GLN A 41 32.355 -10.631 -5.604 1.00 0.00 C ATOM 597 O GLN A 41 32.215 -11.030 -4.444 1.00 0.00 O ATOM 598 CB GLN A 41 31.793 -8.151 -5.662 1.00 0.00 C ATOM 599 CG GLN A 41 30.677 -7.103 -5.818 1.00 0.00 C ATOM 600 CD GLN A 41 31.107 -5.694 -5.435 1.00 0.00 C ATOM 601 OE1 GLN A 41 31.111 -5.345 -4.281 1.00 0.00 O ATOM 602 NE2 GLN A 41 31.413 -4.865 -6.396 1.00 0.00 N ATOM 0 H GLN A 41 29.902 -10.007 -4.771 1.00 0.00 H new ATOM 0 HA GLN A 41 31.485 -9.565 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.068 -8.221 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.677 -7.809 -6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.334 -7.101 -6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.827 -7.395 -5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 41 31.403 -5.182 -7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.662 -3.900 -6.177 1.00 0.00 H new ATOM 611 N GLY A 42 33.310 -11.090 -6.417 1.00 0.00 N ATOM 612 CA GLY A 42 34.261 -12.119 -5.989 1.00 0.00 C ATOM 613 C GLY A 42 35.475 -12.206 -6.894 1.00 0.00 C ATOM 614 O GLY A 42 35.776 -11.254 -7.626 1.00 0.00 O ATOM 0 H GLY A 42 33.445 -10.766 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.586 -11.906 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.759 -13.086 -5.968 1.00 0.00 H new ATOM 618 N ALA A 43 36.173 -13.357 -6.827 1.00 0.00 N ATOM 619 CA ALA A 43 37.352 -13.660 -7.671 1.00 0.00 C ATOM 620 C ALA A 43 36.997 -13.661 -9.170 1.00 0.00 C ATOM 621 O ALA A 43 37.838 -13.358 -10.021 1.00 0.00 O ATOM 622 CB ALA A 43 37.948 -15.020 -7.259 1.00 0.00 C ATOM 0 H ALA A 43 35.935 -14.110 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 43 38.092 -12.875 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.815 -15.241 -7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.252 -14.982 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.199 -15.801 -7.391 1.00 0.00 H new ATOM 628 N ASP A 44 35.732 -13.996 -9.467 1.00 0.00 N ATOM 629 CA ASP A 44 35.201 -14.082 -10.843 1.00 0.00 C ATOM 630 C ASP A 44 34.701 -12.709 -11.344 1.00 0.00 C ATOM 631 O ASP A 44 34.191 -12.600 -12.458 1.00 0.00 O ATOM 632 CB ASP A 44 34.051 -15.117 -10.886 1.00 0.00 C ATOM 633 CG ASP A 44 34.427 -16.460 -10.249 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.951 -17.342 -10.960 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.239 -16.614 -9.023 1.00 0.00 O ATOM 0 H ASP A 44 35.038 -14.218 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 44 36.008 -14.399 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.182 -14.708 -10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 44 33.758 -15.283 -11.923 1.00 0.00 H new ATOM 640 N GLY A 45 34.860 -11.670 -10.513 1.00 0.00 N ATOM 641 CA GLY A 45 34.377 -10.327 -10.826 1.00 0.00 C ATOM 642 C GLY A 45 32.995 -10.066 -10.248 1.00 0.00 C ATOM 643 O GLY A 45 32.574 -10.735 -9.293 1.00 0.00 O ATOM 0 H GLY A 45 35.326 -11.741 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.078 -9.590 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 45 34.348 -10.196 -11.908 1.00 0.00 H new ATOM 647 N ILE A 46 32.281 -9.098 -10.841 1.00 0.00 N ATOM 648 CA ILE A 46 30.989 -8.605 -10.327 1.00 0.00 C ATOM 649 C ILE A 46 29.828 -9.118 -11.212 1.00 0.00 C ATOM 650 O ILE A 46 29.966 -9.226 -12.437 1.00 0.00 O ATOM 651 CB ILE A 46 30.990 -7.030 -10.262 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.278 -6.531 -9.516 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.708 -6.485 -9.575 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.506 -5.032 -9.544 1.00 0.00 C ATOM 0 H ILE A 46 32.583 -8.631 -11.696 1.00 0.00 H new ATOM 0 HA ILE A 46 30.844 -8.988 -9.317 1.00 0.00 H new ATOM 0 HB ILE A 46 30.996 -6.645 -11.282 1.00 0.00 H new ATOM 0 HG12 ILE A 46 32.223 -6.854 -8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 46 33.146 -7.022 -9.957 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.744 -5.396 -9.549 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.830 -6.805 -10.136 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.648 -6.871 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.421 -4.793 -9.001 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.599 -4.697 -10.577 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.662 -4.527 -9.074 1.00 0.00 H new ATOM 666 N GLN A 47 28.686 -9.404 -10.573 1.00 0.00 N ATOM 667 CA GLN A 47 27.501 -10.017 -11.195 1.00 0.00 C ATOM 668 C GLN A 47 26.240 -9.393 -10.580 1.00 0.00 C ATOM 669 O GLN A 47 26.254 -9.017 -9.411 1.00 0.00 O ATOM 670 CB GLN A 47 27.522 -11.557 -10.944 1.00 0.00 C ATOM 671 CG GLN A 47 26.252 -12.339 -11.370 1.00 0.00 C ATOM 672 CD GLN A 47 25.942 -12.312 -12.873 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.779 -12.308 -13.270 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.963 -12.381 -13.715 1.00 0.00 N ATOM 0 H GLN A 47 28.556 -9.210 -9.580 1.00 0.00 H new ATOM 0 HA GLN A 47 27.504 -9.838 -12.270 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.377 -11.978 -11.473 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.689 -11.728 -9.881 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.362 -13.377 -11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.396 -11.932 -10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.919 -12.383 -13.359 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.793 -12.432 -14.719 1.00 0.00 H new ATOM 683 N ASN A 48 25.168 -9.293 -11.391 1.00 0.00 N ATOM 684 CA ASN A 48 23.832 -8.800 -10.960 1.00 0.00 C ATOM 685 C ASN A 48 23.939 -7.357 -10.403 1.00 0.00 C ATOM 686 O ASN A 48 23.280 -7.005 -9.415 1.00 0.00 O ATOM 687 CB ASN A 48 23.182 -9.786 -9.920 1.00 0.00 C ATOM 688 CG ASN A 48 21.671 -9.965 -10.109 1.00 0.00 C ATOM 689 OD1 ASN A 48 21.171 -9.938 -11.235 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.932 -10.146 -9.014 1.00 0.00 N ATOM 0 H ASN A 48 25.200 -9.554 -12.377 1.00 0.00 H new ATOM 0 HA ASN A 48 23.174 -8.768 -11.828 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.668 -10.758 -10.000 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.373 -9.416 -8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.922 -10.267 -9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.376 -10.163 -8.096 1.00 0.00 H new ATOM 697 N ARG A 49 24.764 -6.545 -11.105 1.00 0.00 N ATOM 698 CA ARG A 49 25.171 -5.181 -10.713 1.00 0.00 C ATOM 699 C ARG A 49 23.986 -4.302 -10.266 1.00 0.00 C ATOM 700 O ARG A 49 22.949 -4.254 -10.931 1.00 0.00 O ATOM 701 CB ARG A 49 25.880 -4.502 -11.917 1.00 0.00 C ATOM 702 CG ARG A 49 26.427 -3.079 -11.645 1.00 0.00 C ATOM 703 CD ARG A 49 27.766 -3.085 -10.900 1.00 0.00 C ATOM 704 NE ARG A 49 28.824 -3.701 -11.719 1.00 0.00 N ATOM 705 CZ ARG A 49 30.128 -3.426 -11.636 1.00 0.00 C ATOM 706 NH1 ARG A 49 30.592 -2.604 -10.715 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.975 -4.019 -12.461 1.00 0.00 N ATOM 0 H ARG A 49 25.178 -6.835 -11.991 1.00 0.00 H new ATOM 0 HA ARG A 49 25.841 -5.276 -9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.707 -5.137 -12.236 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.178 -4.451 -12.749 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.547 -2.555 -12.593 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.695 -2.520 -11.062 1.00 0.00 H new ATOM 0 HD2 ARG A 49 28.048 -2.064 -10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.662 -3.632 -9.963 1.00 0.00 H new ATOM 0 HE ARG A 49 28.536 -4.396 -12.408 1.00 0.00 H new ATOM 0 HH11 ARG A 49 29.952 -2.167 -10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 49 31.591 -2.405 -10.666 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.631 -4.682 -13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.972 -3.813 -12.403 1.00 0.00 H new ATOM 721 N LEU A 50 24.174 -3.618 -9.138 1.00 0.00 N ATOM 722 CA LEU A 50 23.234 -2.624 -8.621 1.00 0.00 C ATOM 723 C LEU A 50 23.467 -1.272 -9.292 1.00 0.00 C ATOM 724 O LEU A 50 24.597 -0.757 -9.321 1.00 0.00 O ATOM 725 CB LEU A 50 23.380 -2.523 -7.081 1.00 0.00 C ATOM 726 CG LEU A 50 22.744 -3.710 -6.297 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.213 -3.756 -4.834 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.221 -3.637 -6.379 1.00 0.00 C ATOM 0 H LEU A 50 24.997 -3.741 -8.548 1.00 0.00 H new ATOM 0 HA LEU A 50 22.215 -2.934 -8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.439 -2.464 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.921 -1.593 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 50 23.081 -4.635 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.744 -4.599 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.296 -3.871 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.932 -2.830 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.787 -4.471 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.878 -2.698 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.910 -3.690 -7.422 1.00 0.00 H new ATOM 740 N THR A 51 22.388 -0.719 -9.845 1.00 0.00 N ATOM 741 CA THR A 51 22.403 0.584 -10.500 1.00 0.00 C ATOM 742 C THR A 51 22.120 1.682 -9.470 1.00 0.00 C ATOM 743 O THR A 51 21.619 1.402 -8.378 1.00 0.00 O ATOM 744 CB THR A 51 21.339 0.653 -11.649 1.00 0.00 C ATOM 745 OG1 THR A 51 20.004 0.625 -11.108 1.00 0.00 O ATOM 746 CG2 THR A 51 21.498 -0.504 -12.652 1.00 0.00 C ATOM 0 H THR A 51 21.472 -1.168 -9.850 1.00 0.00 H new ATOM 0 HA THR A 51 23.390 0.734 -10.939 1.00 0.00 H new ATOM 0 HB THR A 51 21.506 1.593 -12.176 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.849 -0.234 -10.663 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.741 -0.417 -13.431 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.489 -0.461 -13.103 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.377 -1.455 -12.133 1.00 0.00 H new ATOM 754 N ALA A 52 22.414 2.933 -9.843 1.00 0.00 N ATOM 755 CA ALA A 52 22.119 4.107 -9.015 1.00 0.00 C ATOM 756 C ALA A 52 20.608 4.205 -8.714 1.00 0.00 C ATOM 757 O ALA A 52 20.219 4.683 -7.649 1.00 0.00 O ATOM 758 CB ALA A 52 22.631 5.371 -9.711 1.00 0.00 C ATOM 0 H ALA A 52 22.864 3.160 -10.730 1.00 0.00 H new ATOM 0 HA ALA A 52 22.633 4.004 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.410 6.241 -9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.708 5.294 -9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 52 22.140 5.478 -10.678 1.00 0.00 H new ATOM 764 N GLN A 53 19.774 3.708 -9.659 1.00 0.00 N ATOM 765 CA GLN A 53 18.313 3.635 -9.481 1.00 0.00 C ATOM 766 C GLN A 53 17.953 2.628 -8.376 1.00 0.00 C ATOM 767 O GLN A 53 17.185 2.965 -7.490 1.00 0.00 O ATOM 768 CB GLN A 53 17.597 3.247 -10.796 1.00 0.00 C ATOM 769 CG GLN A 53 16.056 3.291 -10.710 1.00 0.00 C ATOM 770 CD GLN A 53 15.371 2.944 -12.035 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.116 3.818 -12.862 1.00 0.00 O ATOM 772 NE2 GLN A 53 15.063 1.673 -12.237 1.00 0.00 N ATOM 0 H GLN A 53 20.097 3.350 -10.558 1.00 0.00 H new ATOM 0 HA GLN A 53 17.972 4.628 -9.188 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.926 3.920 -11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.906 2.242 -11.083 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.721 2.595 -9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.744 4.287 -10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.290 0.975 -11.529 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.599 1.392 -13.101 1.00 0.00 H new ATOM 781 N ASP A 54 18.546 1.408 -8.438 1.00 0.00 N ATOM 782 CA ASP A 54 18.340 0.339 -7.417 1.00 0.00 C ATOM 783 C ASP A 54 18.568 0.872 -5.996 1.00 0.00 C ATOM 784 O ASP A 54 17.776 0.613 -5.086 1.00 0.00 O ATOM 785 CB ASP A 54 19.302 -0.872 -7.644 1.00 0.00 C ATOM 786 CG ASP A 54 18.869 -1.827 -8.763 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.815 -2.462 -8.620 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.578 -1.966 -9.776 1.00 0.00 O ATOM 0 H ASP A 54 19.177 1.135 -9.191 1.00 0.00 H new ATOM 0 HA ASP A 54 17.307 0.008 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.297 -0.491 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.383 -1.435 -6.714 1.00 0.00 H new ATOM 793 N ILE A 55 19.663 1.634 -5.858 1.00 0.00 N ATOM 794 CA ILE A 55 20.119 2.206 -4.576 1.00 0.00 C ATOM 795 C ILE A 55 19.196 3.369 -4.123 1.00 0.00 C ATOM 796 O ILE A 55 18.927 3.529 -2.924 1.00 0.00 O ATOM 797 CB ILE A 55 21.614 2.708 -4.696 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.516 1.615 -5.364 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.191 3.107 -3.316 1.00 0.00 C ATOM 800 CD1 ILE A 55 23.915 2.075 -5.747 1.00 0.00 C ATOM 0 H ILE A 55 20.268 1.876 -6.643 1.00 0.00 H new ATOM 0 HA ILE A 55 20.071 1.421 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 55 21.610 3.595 -5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.603 0.771 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.013 1.249 -6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.220 3.447 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.591 3.911 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.169 2.245 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.459 1.247 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.845 2.897 -6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.444 2.411 -4.855 1.00 0.00 H new ATOM 812 N ALA A 56 18.697 4.151 -5.105 1.00 0.00 N ATOM 813 CA ALA A 56 17.791 5.296 -4.857 1.00 0.00 C ATOM 814 C ALA A 56 16.404 4.816 -4.378 1.00 0.00 C ATOM 815 O ALA A 56 15.783 5.447 -3.518 1.00 0.00 O ATOM 816 CB ALA A 56 17.657 6.154 -6.130 1.00 0.00 C ATOM 0 H ALA A 56 18.910 4.007 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 56 18.224 5.907 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.988 6.993 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.638 6.532 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.250 5.546 -6.938 1.00 0.00 H new ATOM 822 N GLU A 57 15.947 3.690 -4.946 1.00 0.00 N ATOM 823 CA GLU A 57 14.667 3.050 -4.584 1.00 0.00 C ATOM 824 C GLU A 57 14.782 2.328 -3.236 1.00 0.00 C ATOM 825 O GLU A 57 13.800 2.237 -2.490 1.00 0.00 O ATOM 826 CB GLU A 57 14.268 2.006 -5.653 1.00 0.00 C ATOM 827 CG GLU A 57 14.151 2.552 -7.085 1.00 0.00 C ATOM 828 CD GLU A 57 13.965 1.450 -8.140 1.00 0.00 C ATOM 829 OE1 GLU A 57 14.679 0.423 -8.072 1.00 0.00 O ATOM 830 OE2 GLU A 57 13.129 1.613 -9.051 1.00 0.00 O ATOM 0 H GLU A 57 16.457 3.192 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 57 13.913 3.835 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.004 1.202 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.312 1.565 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.308 3.241 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.047 3.126 -7.322 1.00 0.00 H new ATOM 837 N ALA A 58 15.997 1.786 -2.981 1.00 0.00 N ATOM 838 CA ALA A 58 16.297 0.915 -1.837 1.00 0.00 C ATOM 839 C ALA A 58 15.925 1.563 -0.499 1.00 0.00 C ATOM 840 O ALA A 58 16.639 2.433 0.016 1.00 0.00 O ATOM 841 CB ALA A 58 17.776 0.505 -1.843 1.00 0.00 C ATOM 0 H ALA A 58 16.806 1.950 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 58 15.681 0.022 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.978 -0.140 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.001 -0.033 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.401 1.396 -1.781 1.00 0.00 H new ATOM 847 N THR A 59 14.762 1.154 0.010 1.00 0.00 N ATOM 848 CA THR A 59 14.316 1.444 1.370 1.00 0.00 C ATOM 849 C THR A 59 15.288 0.782 2.378 1.00 0.00 C ATOM 850 O THR A 59 15.549 1.310 3.464 1.00 0.00 O ATOM 851 CB THR A 59 12.861 0.890 1.560 1.00 0.00 C ATOM 852 OG1 THR A 59 12.023 1.354 0.480 1.00 0.00 O ATOM 853 CG2 THR A 59 12.239 1.292 2.911 1.00 0.00 C ATOM 0 H THR A 59 14.092 0.601 -0.524 1.00 0.00 H new ATOM 0 HA THR A 59 14.310 2.520 1.545 1.00 0.00 H new ATOM 0 HB THR A 59 12.927 -0.198 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.114 1.006 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.233 0.880 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.852 0.902 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.192 2.379 2.981 1.00 0.00 H new ATOM 861 N ILE A 60 15.831 -0.383 1.962 1.00 0.00 N ATOM 862 CA ILE A 60 16.768 -1.195 2.758 1.00 0.00 C ATOM 863 C ILE A 60 17.963 -1.629 1.879 1.00 0.00 C ATOM 864 O ILE A 60 17.778 -1.978 0.707 1.00 0.00 O ATOM 865 CB ILE A 60 16.034 -2.472 3.331 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.850 -2.063 4.272 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.019 -3.411 4.060 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.003 -3.210 4.804 1.00 0.00 C ATOM 0 H ILE A 60 15.625 -0.789 1.049 1.00 0.00 H new ATOM 0 HA ILE A 60 17.133 -0.595 3.591 1.00 0.00 H new ATOM 0 HB ILE A 60 15.621 -3.021 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.258 -1.513 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.200 -1.377 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.480 -4.278 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.791 -3.740 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.483 -2.878 4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.214 -2.814 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.557 -3.750 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.631 -3.889 5.381 1.00 0.00 H new ATOM 880 N ILE A 61 19.185 -1.585 2.454 1.00 0.00 N ATOM 881 CA ILE A 61 20.424 -2.088 1.806 1.00 0.00 C ATOM 882 C ILE A 61 21.169 -2.981 2.805 1.00 0.00 C ATOM 883 O ILE A 61 21.363 -2.577 3.946 1.00 0.00 O ATOM 884 CB ILE A 61 21.397 -0.924 1.369 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.631 0.172 0.565 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.606 -1.481 0.560 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.461 1.370 0.155 1.00 0.00 C ATOM 0 H ILE A 61 19.344 -1.199 3.385 1.00 0.00 H new ATOM 0 HA ILE A 61 20.127 -2.633 0.910 1.00 0.00 H new ATOM 0 HB ILE A 61 21.791 -0.457 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.213 -0.284 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.791 0.521 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.260 -0.659 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.162 -2.188 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.243 -1.987 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.837 2.073 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.858 1.859 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.286 1.042 -0.477 1.00 0.00 H new ATOM 899 N ILE A 62 21.576 -4.188 2.389 1.00 0.00 N ATOM 900 CA ILE A 62 22.436 -5.075 3.212 1.00 0.00 C ATOM 901 C ILE A 62 23.781 -5.271 2.487 1.00 0.00 C ATOM 902 O ILE A 62 23.793 -5.652 1.328 1.00 0.00 O ATOM 903 CB ILE A 62 21.797 -6.507 3.481 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.396 -6.433 4.180 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.749 -7.385 4.326 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.227 -6.131 3.267 1.00 0.00 C ATOM 0 H ILE A 62 21.326 -4.582 1.482 1.00 0.00 H new ATOM 0 HA ILE A 62 22.558 -4.589 4.180 1.00 0.00 H new ATOM 0 HB ILE A 62 21.650 -6.959 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.208 -7.383 4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.436 -5.668 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.290 -8.359 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.691 -7.516 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.937 -6.900 5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.307 -6.103 3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.381 -5.165 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.150 -6.907 2.506 1.00 0.00 H new ATOM 918 N HIS A 63 24.915 -4.999 3.155 1.00 0.00 N ATOM 919 CA HIS A 63 26.241 -5.413 2.649 1.00 0.00 C ATOM 920 C HIS A 63 26.674 -6.680 3.382 1.00 0.00 C ATOM 921 O HIS A 63 27.323 -6.628 4.426 1.00 0.00 O ATOM 922 CB HIS A 63 27.300 -4.279 2.762 1.00 0.00 C ATOM 923 CG HIS A 63 27.281 -3.300 1.613 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.345 -2.466 1.370 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.325 -3.068 0.679 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.019 -1.763 0.311 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.805 -2.095 -0.155 1.00 0.00 N ATOM 0 H HIS A 63 24.944 -4.497 4.042 1.00 0.00 H new ATOM 0 HA HIS A 63 26.161 -5.626 1.583 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.135 -3.734 3.692 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.291 -4.728 2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.366 -3.559 0.607 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.652 -1.008 -0.132 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.334 -1.700 -0.969 1.00 0.00 H new ATOM 935 N SER A 64 26.226 -7.816 2.842 1.00 0.00 N ATOM 936 CA SER A 64 26.611 -9.141 3.304 1.00 0.00 C ATOM 937 C SER A 64 27.981 -9.493 2.718 1.00 0.00 C ATOM 938 O SER A 64 28.094 -10.151 1.677 1.00 0.00 O ATOM 939 CB SER A 64 25.528 -10.150 2.885 1.00 0.00 C ATOM 940 OG SER A 64 25.205 -10.034 1.506 1.00 0.00 O ATOM 0 H SER A 64 25.574 -7.835 2.058 1.00 0.00 H new ATOM 0 HA SER A 64 26.693 -9.169 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.874 -11.162 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 64 24.631 -9.990 3.483 1.00 0.00 H new ATOM 0 HG SER A 64 25.848 -9.438 1.068 1.00 0.00 H new ATOM 946 N VAL A 65 29.032 -8.993 3.363 1.00 0.00 N ATOM 947 CA VAL A 65 30.397 -9.056 2.830 1.00 0.00 C ATOM 948 C VAL A 65 31.376 -9.609 3.874 1.00 0.00 C ATOM 949 O VAL A 65 31.050 -9.730 5.054 1.00 0.00 O ATOM 950 CB VAL A 65 30.857 -7.631 2.333 1.00 0.00 C ATOM 951 CG1 VAL A 65 29.974 -7.135 1.161 1.00 0.00 C ATOM 952 CG2 VAL A 65 30.847 -6.595 3.489 1.00 0.00 C ATOM 0 H VAL A 65 28.965 -8.532 4.270 1.00 0.00 H new ATOM 0 HA VAL A 65 30.398 -9.739 1.980 1.00 0.00 H new ATOM 0 HB VAL A 65 31.882 -7.731 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.315 -6.151 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.048 -7.834 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 65 28.937 -7.070 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.169 -5.625 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 65 29.838 -6.510 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.527 -6.922 4.276 1.00 0.00 H new ATOM 962 N ALA A 66 32.561 -9.993 3.392 1.00 0.00 N ATOM 963 CA ALA A 66 33.722 -10.366 4.227 1.00 0.00 C ATOM 964 C ALA A 66 34.914 -9.457 3.877 1.00 0.00 C ATOM 965 O ALA A 66 35.909 -9.391 4.611 1.00 0.00 O ATOM 966 CB ALA A 66 34.074 -11.842 3.999 1.00 0.00 C ATOM 0 H ALA A 66 32.751 -10.057 2.392 1.00 0.00 H new ATOM 0 HA ALA A 66 33.478 -10.233 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.930 -12.111 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.221 -12.465 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.320 -11.999 2.949 1.00 0.00 H new ATOM 972 N VAL A 67 34.790 -8.762 2.729 1.00 0.00 N ATOM 973 CA VAL A 67 35.794 -7.831 2.194 1.00 0.00 C ATOM 974 C VAL A 67 35.130 -6.487 1.881 1.00 0.00 C ATOM 975 O VAL A 67 33.915 -6.323 2.063 1.00 0.00 O ATOM 976 CB VAL A 67 36.485 -8.411 0.895 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.457 -9.562 1.244 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.431 -8.859 -0.162 1.00 0.00 C ATOM 0 H VAL A 67 33.965 -8.837 2.135 1.00 0.00 H new ATOM 0 HA VAL A 67 36.569 -7.691 2.948 1.00 0.00 H new ATOM 0 HB VAL A 67 37.071 -7.607 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 67 37.916 -9.940 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.233 -9.192 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 67 36.908 -10.366 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 67 35.942 -9.252 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 67 34.794 -9.634 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 67 34.819 -8.005 -0.450 1.00 0.00 H new ATOM 988 N THR A 68 35.942 -5.516 1.441 1.00 0.00 N ATOM 989 CA THR A 68 35.439 -4.232 0.969 1.00 0.00 C ATOM 990 C THR A 68 34.842 -4.420 -0.443 1.00 0.00 C ATOM 991 O THR A 68 35.564 -4.854 -1.357 1.00 0.00 O ATOM 992 CB THR A 68 36.572 -3.152 0.954 1.00 0.00 C ATOM 993 OG1 THR A 68 37.186 -3.083 2.254 1.00 0.00 O ATOM 994 CG2 THR A 68 36.041 -1.753 0.567 1.00 0.00 C ATOM 0 H THR A 68 36.958 -5.603 1.405 1.00 0.00 H new ATOM 0 HA THR A 68 34.665 -3.877 1.650 1.00 0.00 H new ATOM 0 HB THR A 68 37.301 -3.451 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.897 -2.408 2.245 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.864 -1.038 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.600 -1.794 -0.429 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.284 -1.439 1.286 1.00 0.00 H new ATOM 1002 N PRO A 69 33.509 -4.155 -0.635 1.00 0.00 N ATOM 1003 CA PRO A 69 32.883 -4.209 -1.968 1.00 0.00 C ATOM 1004 C PRO A 69 33.442 -3.103 -2.893 1.00 0.00 C ATOM 1005 O PRO A 69 33.784 -2.018 -2.423 1.00 0.00 O ATOM 1006 CB PRO A 69 31.377 -4.007 -1.662 1.00 0.00 C ATOM 1007 CG PRO A 69 31.333 -3.269 -0.369 1.00 0.00 C ATOM 1008 CD PRO A 69 32.520 -3.769 0.419 1.00 0.00 C ATOM 0 HA PRO A 69 33.079 -5.140 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 69 30.887 -3.441 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 69 30.859 -4.963 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.393 -2.192 -0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.400 -3.461 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.918 -2.997 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.254 -4.618 1.048 1.00 0.00 H new ATOM 1016 N GLU A 70 33.533 -3.398 -4.197 1.00 0.00 N ATOM 1017 CA GLU A 70 34.100 -2.473 -5.202 1.00 0.00 C ATOM 1018 C GLU A 70 33.220 -1.212 -5.338 1.00 0.00 C ATOM 1019 O GLU A 70 33.719 -0.081 -5.392 1.00 0.00 O ATOM 1020 CB GLU A 70 34.227 -3.200 -6.570 1.00 0.00 C ATOM 1021 CG GLU A 70 35.045 -4.506 -6.533 1.00 0.00 C ATOM 1022 CD GLU A 70 36.524 -4.280 -6.169 1.00 0.00 C ATOM 1023 OE1 GLU A 70 37.288 -3.803 -7.044 1.00 0.00 O ATOM 1024 OE2 GLU A 70 36.924 -4.566 -5.021 1.00 0.00 O ATOM 0 H GLU A 70 33.217 -4.284 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 70 35.091 -2.159 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 70 33.227 -3.424 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 70 34.687 -2.519 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 70 34.598 -5.187 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.986 -4.992 -7.507 1.00 0.00 H new ATOM 1031 N ASP A 71 31.897 -1.431 -5.325 1.00 0.00 N ATOM 1032 CA ASP A 71 30.888 -0.374 -5.537 1.00 0.00 C ATOM 1033 C ASP A 71 30.491 0.325 -4.218 1.00 0.00 C ATOM 1034 O ASP A 71 29.514 1.068 -4.207 1.00 0.00 O ATOM 1035 CB ASP A 71 29.632 -0.983 -6.232 1.00 0.00 C ATOM 1036 CG ASP A 71 29.911 -1.462 -7.665 1.00 0.00 C ATOM 1037 OD1 ASP A 71 30.543 -2.527 -7.835 1.00 0.00 O ATOM 1038 OD2 ASP A 71 29.551 -0.749 -8.631 1.00 0.00 O ATOM 0 H ASP A 71 31.490 -2.353 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 71 31.330 0.388 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.267 -1.822 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 71 28.838 -0.237 -6.252 1.00 0.00 H new ATOM 1043 N ASN A 72 31.294 0.140 -3.134 1.00 0.00 N ATOM 1044 CA ASN A 72 31.006 0.700 -1.780 1.00 0.00 C ATOM 1045 C ASN A 72 30.816 2.242 -1.815 1.00 0.00 C ATOM 1046 O ASN A 72 30.074 2.798 -1.010 1.00 0.00 O ATOM 1047 CB ASN A 72 32.133 0.302 -0.781 1.00 0.00 C ATOM 1048 CG ASN A 72 33.412 1.135 -0.917 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.596 2.140 -0.226 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.283 0.747 -1.829 1.00 0.00 N ATOM 0 H ASN A 72 32.158 -0.400 -3.172 1.00 0.00 H new ATOM 0 HA ASN A 72 30.064 0.271 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.754 0.401 0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.380 -0.750 -0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 72 35.138 1.283 -1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.102 -0.089 -2.384 1.00 0.00 H new ATOM 1057 N GLU A 73 31.485 2.889 -2.791 1.00 0.00 N ATOM 1058 CA GLU A 73 31.382 4.342 -3.064 1.00 0.00 C ATOM 1059 C GLU A 73 29.919 4.790 -3.334 1.00 0.00 C ATOM 1060 O GLU A 73 29.509 5.862 -2.920 1.00 0.00 O ATOM 1061 CB GLU A 73 32.279 4.699 -4.283 1.00 0.00 C ATOM 1062 CG GLU A 73 31.969 3.879 -5.562 1.00 0.00 C ATOM 1063 CD GLU A 73 32.704 4.390 -6.810 1.00 0.00 C ATOM 1064 OE1 GLU A 73 32.253 5.383 -7.410 1.00 0.00 O ATOM 1065 OE2 GLU A 73 33.739 3.811 -7.191 1.00 0.00 O ATOM 0 H GLU A 73 32.125 2.410 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 73 31.721 4.874 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.162 5.759 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.323 4.544 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.241 2.837 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 73 30.895 3.902 -5.747 1.00 0.00 H new ATOM 1072 N ARG A 74 29.161 3.930 -4.024 1.00 0.00 N ATOM 1073 CA ARG A 74 27.764 4.186 -4.450 1.00 0.00 C ATOM 1074 C ARG A 74 26.763 3.955 -3.312 1.00 0.00 C ATOM 1075 O ARG A 74 25.608 4.377 -3.382 1.00 0.00 O ATOM 1076 CB ARG A 74 27.440 3.274 -5.659 1.00 0.00 C ATOM 1077 CG ARG A 74 28.360 3.524 -6.865 1.00 0.00 C ATOM 1078 CD ARG A 74 28.101 2.577 -8.045 1.00 0.00 C ATOM 1079 NE ARG A 74 28.878 2.979 -9.236 1.00 0.00 N ATOM 1080 CZ ARG A 74 30.168 2.675 -9.474 1.00 0.00 C ATOM 1081 NH1 ARG A 74 30.852 1.864 -8.670 1.00 0.00 N ATOM 1082 NH2 ARG A 74 30.752 3.158 -10.559 1.00 0.00 N ATOM 0 H ARG A 74 29.502 3.013 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 74 27.672 5.234 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.526 2.231 -5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.405 3.433 -5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.232 4.553 -7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.397 3.419 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.366 1.558 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 74 27.038 2.574 -8.285 1.00 0.00 H new ATOM 0 HE ARG A 74 28.394 3.536 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 74 30.400 1.457 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 74 31.828 1.650 -8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 74 30.226 3.751 -11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 74 31.729 2.937 -10.754 1.00 0.00 H new ATOM 1096 N PHE A 75 27.216 3.248 -2.280 1.00 0.00 N ATOM 1097 CA PHE A 75 26.414 2.958 -1.073 1.00 0.00 C ATOM 1098 C PHE A 75 26.910 3.784 0.132 1.00 0.00 C ATOM 1099 O PHE A 75 26.304 3.729 1.205 1.00 0.00 O ATOM 1100 CB PHE A 75 26.490 1.447 -0.749 1.00 0.00 C ATOM 1101 CG PHE A 75 26.090 0.547 -1.913 1.00 0.00 C ATOM 1102 CD1 PHE A 75 24.765 0.205 -2.140 1.00 0.00 C ATOM 1103 CD2 PHE A 75 27.053 0.052 -2.785 1.00 0.00 C ATOM 1104 CE1 PHE A 75 24.422 -0.600 -3.203 1.00 0.00 C ATOM 1105 CE2 PHE A 75 26.708 -0.747 -3.848 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.395 -1.075 -4.057 1.00 0.00 C ATOM 0 H PHE A 75 28.156 2.853 -2.248 1.00 0.00 H new ATOM 0 HA PHE A 75 25.379 3.236 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.507 1.201 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.843 1.234 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 75 23.996 0.573 -1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 75 28.092 0.300 -2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 75 23.387 -0.860 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 75 27.471 -1.116 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.122 -1.705 -4.890 1.00 0.00 H new ATOM 1116 N GLU A 76 27.991 4.566 -0.082 1.00 0.00 N ATOM 1117 CA GLU A 76 28.714 5.310 0.980 1.00 0.00 C ATOM 1118 C GLU A 76 27.783 6.239 1.797 1.00 0.00 C ATOM 1119 O GLU A 76 27.794 6.214 3.032 1.00 0.00 O ATOM 1120 CB GLU A 76 29.865 6.135 0.330 1.00 0.00 C ATOM 1121 CG GLU A 76 30.778 6.902 1.309 1.00 0.00 C ATOM 1122 CD GLU A 76 31.691 5.990 2.155 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.264 5.533 3.237 1.00 0.00 O ATOM 1124 OE2 GLU A 76 32.839 5.732 1.736 1.00 0.00 O ATOM 0 H GLU A 76 28.394 4.702 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 76 29.120 4.581 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.484 5.458 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.426 6.851 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 76 31.398 7.597 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 76 30.158 7.499 1.977 1.00 0.00 H new ATOM 1131 N SER A 77 26.975 7.040 1.091 1.00 0.00 N ATOM 1132 CA SER A 77 26.080 8.038 1.715 1.00 0.00 C ATOM 1133 C SER A 77 24.675 7.468 2.004 1.00 0.00 C ATOM 1134 O SER A 77 23.819 8.180 2.535 1.00 0.00 O ATOM 1135 CB SER A 77 25.977 9.269 0.787 1.00 0.00 C ATOM 1136 OG SER A 77 25.444 8.917 -0.481 1.00 0.00 O ATOM 0 H SER A 77 26.919 7.019 0.073 1.00 0.00 H new ATOM 0 HA SER A 77 26.508 8.323 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 77 25.345 10.026 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 77 26.964 9.713 0.658 1.00 0.00 H new ATOM 0 HG SER A 77 25.389 9.716 -1.046 1.00 0.00 H new ATOM 1142 N ARG A 78 24.446 6.181 1.677 1.00 0.00 N ATOM 1143 CA ARG A 78 23.098 5.562 1.703 1.00 0.00 C ATOM 1144 C ARG A 78 22.930 4.641 2.931 1.00 0.00 C ATOM 1145 O ARG A 78 23.926 4.240 3.547 1.00 0.00 O ATOM 1146 CB ARG A 78 22.864 4.790 0.375 1.00 0.00 C ATOM 1147 CG ARG A 78 23.186 5.605 -0.900 1.00 0.00 C ATOM 1148 CD ARG A 78 22.341 6.886 -1.046 1.00 0.00 C ATOM 1149 NE ARG A 78 22.714 7.641 -2.259 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.802 8.980 -2.363 1.00 0.00 C ATOM 1151 NH1 ARG A 78 22.485 9.772 -1.346 1.00 0.00 N ATOM 1152 NH2 ARG A 78 23.218 9.520 -3.499 1.00 0.00 N ATOM 0 H ARG A 78 25.185 5.540 1.388 1.00 0.00 H new ATOM 0 HA ARG A 78 22.346 6.346 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.476 3.888 0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.823 4.469 0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 78 24.242 5.876 -0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 78 23.027 4.974 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 78 21.284 6.624 -1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.477 7.516 -0.167 1.00 0.00 H new ATOM 0 HE ARG A 78 22.925 7.097 -3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.168 9.368 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.559 10.784 -1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.469 8.922 -4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 78 23.288 10.534 -3.586 1.00 0.00 H new ATOM 1166 N ASP A 79 21.660 4.327 3.286 1.00 0.00 N ATOM 1167 CA ASP A 79 21.322 3.528 4.496 1.00 0.00 C ATOM 1168 C ASP A 79 21.692 2.047 4.298 1.00 0.00 C ATOM 1169 O ASP A 79 20.904 1.267 3.749 1.00 0.00 O ATOM 1170 CB ASP A 79 19.810 3.650 4.845 1.00 0.00 C ATOM 1171 CG ASP A 79 19.359 5.093 5.117 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.762 5.667 6.152 1.00 0.00 O ATOM 1173 OD2 ASP A 79 18.602 5.659 4.296 1.00 0.00 O ATOM 0 H ASP A 79 20.844 4.617 2.747 1.00 0.00 H new ATOM 0 HA ASP A 79 21.905 3.929 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.221 3.243 4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.597 3.040 5.723 1.00 0.00 H new ATOM 1178 N VAL A 80 22.907 1.675 4.739 1.00 0.00 N ATOM 1179 CA VAL A 80 23.461 0.325 4.535 1.00 0.00 C ATOM 1180 C VAL A 80 23.689 -0.383 5.882 1.00 0.00 C ATOM 1181 O VAL A 80 24.270 0.191 6.809 1.00 0.00 O ATOM 1182 CB VAL A 80 24.810 0.373 3.735 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.330 -1.045 3.443 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.655 1.170 2.425 1.00 0.00 C ATOM 0 H VAL A 80 23.532 2.301 5.246 1.00 0.00 H new ATOM 0 HA VAL A 80 22.731 -0.237 3.953 1.00 0.00 H new ATOM 0 HB VAL A 80 25.542 0.885 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.266 -0.982 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.500 -1.571 4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.593 -1.588 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.607 1.185 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.897 0.698 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.351 2.191 2.654 1.00 0.00 H new ATOM 1194 N TYR A 81 23.238 -1.646 5.950 1.00 0.00 N ATOM 1195 CA TYR A 81 23.399 -2.532 7.111 1.00 0.00 C ATOM 1196 C TYR A 81 24.480 -3.582 6.781 1.00 0.00 C ATOM 1197 O TYR A 81 24.188 -4.622 6.172 1.00 0.00 O ATOM 1198 CB TYR A 81 22.031 -3.198 7.468 1.00 0.00 C ATOM 1199 CG TYR A 81 20.891 -2.182 7.713 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.090 -1.723 6.660 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.634 -1.667 8.984 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.088 -0.798 6.867 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.625 -0.741 9.197 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.854 -0.310 8.135 1.00 0.00 C ATOM 1205 OH TYR A 81 17.827 0.589 8.340 1.00 0.00 O ATOM 0 H TYR A 81 22.739 -2.089 5.179 1.00 0.00 H new ATOM 0 HA TYR A 81 23.719 -1.964 7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.741 -3.868 6.659 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.157 -3.811 8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.261 -2.102 5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.234 -1.997 9.819 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.488 -0.456 6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.442 -0.358 10.190 1.00 0.00 H new ATOM 0 HH TYR A 81 17.793 0.836 9.288 1.00 0.00 H new ATOM 1215 N GLU A 82 25.742 -3.258 7.124 1.00 0.00 N ATOM 1216 CA GLU A 82 26.915 -4.097 6.810 1.00 0.00 C ATOM 1217 C GLU A 82 27.027 -5.276 7.797 1.00 0.00 C ATOM 1218 O GLU A 82 27.307 -5.082 8.981 1.00 0.00 O ATOM 1219 CB GLU A 82 28.205 -3.238 6.849 1.00 0.00 C ATOM 1220 CG GLU A 82 28.233 -2.088 5.823 1.00 0.00 C ATOM 1221 CD GLU A 82 29.457 -1.169 5.983 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.564 -1.556 5.551 1.00 0.00 O ATOM 1223 OE2 GLU A 82 29.331 -0.077 6.580 1.00 0.00 O ATOM 0 H GLU A 82 25.977 -2.403 7.629 1.00 0.00 H new ATOM 0 HA GLU A 82 26.789 -4.506 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.319 -2.820 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.064 -3.886 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.229 -2.506 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.324 -1.495 5.925 1.00 0.00 H new ATOM 1230 N ILE A 83 26.773 -6.484 7.288 1.00 0.00 N ATOM 1231 CA ILE A 83 26.905 -7.756 8.039 1.00 0.00 C ATOM 1232 C ILE A 83 27.989 -8.638 7.377 1.00 0.00 C ATOM 1233 O ILE A 83 28.679 -8.194 6.443 1.00 0.00 O ATOM 1234 CB ILE A 83 25.539 -8.544 8.061 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.137 -8.971 6.614 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.415 -7.705 8.729 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.001 -9.955 6.538 1.00 0.00 C ATOM 0 H ILE A 83 26.464 -6.619 6.325 1.00 0.00 H new ATOM 0 HA ILE A 83 27.188 -7.519 9.065 1.00 0.00 H new ATOM 0 HB ILE A 83 25.674 -9.444 8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 83 24.865 -8.079 6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.008 -9.405 6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.486 -8.275 8.729 1.00 0.00 H new ATOM 0 HG22 ILE A 83 24.697 -7.471 9.756 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.272 -6.779 8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.794 -10.192 5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.273 -10.867 7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.112 -9.520 6.995 1.00 0.00 H new ATOM 1249 N THR A 84 28.141 -9.882 7.862 1.00 0.00 N ATOM 1250 CA THR A 84 28.981 -10.888 7.202 1.00 0.00 C ATOM 1251 C THR A 84 28.178 -11.637 6.138 1.00 0.00 C ATOM 1252 O THR A 84 26.959 -11.819 6.267 1.00 0.00 O ATOM 1253 CB THR A 84 29.594 -11.910 8.204 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.567 -12.513 9.007 1.00 0.00 O ATOM 1255 CG2 THR A 84 30.643 -11.244 9.093 1.00 0.00 C ATOM 0 H THR A 84 27.689 -10.213 8.714 1.00 0.00 H new ATOM 0 HA THR A 84 29.806 -10.348 6.736 1.00 0.00 H new ATOM 0 HB THR A 84 30.085 -12.692 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 84 28.972 -13.153 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.055 -11.980 9.783 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.443 -10.841 8.472 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.180 -10.435 9.659 1.00 0.00 H new ATOM 1263 N LEU A 85 28.888 -12.077 5.094 1.00 0.00 N ATOM 1264 CA LEU A 85 28.301 -12.875 3.994 1.00 0.00 C ATOM 1265 C LEU A 85 27.804 -14.240 4.513 1.00 0.00 C ATOM 1266 O LEU A 85 26.834 -14.802 3.993 1.00 0.00 O ATOM 1267 CB LEU A 85 29.352 -13.026 2.857 1.00 0.00 C ATOM 1268 CG LEU A 85 28.828 -13.516 1.460 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.702 -12.971 0.321 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.745 -15.051 1.372 1.00 0.00 C ATOM 0 H LEU A 85 29.885 -11.894 4.981 1.00 0.00 H new ATOM 0 HA LEU A 85 27.430 -12.360 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.839 -12.061 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.118 -13.724 3.195 1.00 0.00 H new ATOM 0 HG LEU A 85 27.817 -13.123 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.317 -13.326 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.684 -11.881 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.727 -13.319 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.377 -15.340 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.735 -15.479 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.063 -15.423 2.137 1.00 0.00 H new ATOM 1282 N GLN A 86 28.483 -14.750 5.552 1.00 0.00 N ATOM 1283 CA GLN A 86 28.106 -15.996 6.226 1.00 0.00 C ATOM 1284 C GLN A 86 26.734 -15.856 6.911 1.00 0.00 C ATOM 1285 O GLN A 86 25.887 -16.749 6.790 1.00 0.00 O ATOM 1286 CB GLN A 86 29.192 -16.384 7.261 1.00 0.00 C ATOM 1287 CG GLN A 86 28.881 -17.653 8.073 1.00 0.00 C ATOM 1288 CD GLN A 86 30.025 -18.083 8.990 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.899 -18.857 8.594 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.051 -17.551 10.202 1.00 0.00 N ATOM 0 H GLN A 86 29.312 -14.306 5.948 1.00 0.00 H new ATOM 0 HA GLN A 86 28.029 -16.786 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.138 -16.526 6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.331 -15.552 7.951 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.988 -17.481 8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.650 -18.467 7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 86 29.310 -16.914 10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 86 30.812 -17.778 10.842 1.00 0.00 H new ATOM 1299 N ASP A 87 26.518 -14.707 7.599 1.00 0.00 N ATOM 1300 CA ASP A 87 25.250 -14.428 8.308 1.00 0.00 C ATOM 1301 C ASP A 87 24.081 -14.340 7.313 1.00 0.00 C ATOM 1302 O ASP A 87 22.953 -14.656 7.657 1.00 0.00 O ATOM 1303 CB ASP A 87 25.325 -13.126 9.164 1.00 0.00 C ATOM 1304 CG ASP A 87 24.204 -13.053 10.224 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.172 -13.929 11.121 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.357 -12.131 10.175 1.00 0.00 O ATOM 0 H ASP A 87 27.208 -13.960 7.676 1.00 0.00 H new ATOM 0 HA ASP A 87 25.079 -15.260 8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.294 -13.076 9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.258 -12.258 8.508 1.00 0.00 H new ATOM 1311 N ALA A 88 24.385 -13.926 6.074 1.00 0.00 N ATOM 1312 CA ALA A 88 23.400 -13.825 4.978 1.00 0.00 C ATOM 1313 C ALA A 88 22.838 -15.198 4.570 1.00 0.00 C ATOM 1314 O ALA A 88 21.675 -15.309 4.175 1.00 0.00 O ATOM 1315 CB ALA A 88 24.049 -13.141 3.780 1.00 0.00 C ATOM 0 H ALA A 88 25.327 -13.649 5.799 1.00 0.00 H new ATOM 0 HA ALA A 88 22.558 -13.232 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.325 -13.064 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.380 -12.143 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.906 -13.726 3.447 1.00 0.00 H new ATOM 1321 N ILE A 89 23.685 -16.228 4.679 1.00 0.00 N ATOM 1322 CA ILE A 89 23.337 -17.606 4.293 1.00 0.00 C ATOM 1323 C ILE A 89 22.504 -18.284 5.406 1.00 0.00 C ATOM 1324 O ILE A 89 21.522 -18.970 5.122 1.00 0.00 O ATOM 1325 CB ILE A 89 24.646 -18.440 3.994 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.510 -17.729 2.899 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.313 -19.895 3.567 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.923 -18.275 2.725 1.00 0.00 C ATOM 0 H ILE A 89 24.635 -16.132 5.038 1.00 0.00 H new ATOM 0 HA ILE A 89 22.735 -17.571 3.385 1.00 0.00 H new ATOM 0 HB ILE A 89 25.223 -18.492 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.990 -17.804 1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.576 -16.669 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.238 -20.437 3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.764 -20.392 4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.703 -19.879 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.436 -17.714 1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.470 -18.175 3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.875 -19.327 2.444 1.00 0.00 H new ATOM 1340 N LYS A 90 22.912 -18.080 6.673 1.00 0.00 N ATOM 1341 CA LYS A 90 22.279 -18.750 7.839 1.00 0.00 C ATOM 1342 C LYS A 90 21.043 -17.989 8.365 1.00 0.00 C ATOM 1343 O LYS A 90 19.984 -18.586 8.588 1.00 0.00 O ATOM 1344 CB LYS A 90 23.318 -18.959 8.985 1.00 0.00 C ATOM 1345 CG LYS A 90 24.117 -17.698 9.391 1.00 0.00 C ATOM 1346 CD LYS A 90 25.018 -17.912 10.629 1.00 0.00 C ATOM 1347 CE LYS A 90 26.080 -19.005 10.419 1.00 0.00 C ATOM 1348 NZ LYS A 90 26.903 -19.221 11.640 1.00 0.00 N ATOM 0 H LYS A 90 23.679 -17.456 6.922 1.00 0.00 H new ATOM 0 HA LYS A 90 21.930 -19.722 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.794 -19.336 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.022 -19.732 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.736 -17.383 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.420 -16.885 9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.515 -16.974 10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.395 -18.178 11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.590 -19.938 10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.729 -18.726 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 27.606 -19.965 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.391 -18.337 11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 26.288 -19.512 12.426 1.00 0.00 H new ATOM 1362 N ASN A 91 21.185 -16.673 8.538 1.00 0.00 N ATOM 1363 CA ASN A 91 20.192 -15.814 9.224 1.00 0.00 C ATOM 1364 C ASN A 91 19.422 -14.950 8.206 1.00 0.00 C ATOM 1365 O ASN A 91 18.897 -13.907 8.568 1.00 0.00 O ATOM 1366 CB ASN A 91 20.939 -14.903 10.241 1.00 0.00 C ATOM 1367 CG ASN A 91 20.016 -14.149 11.215 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.054 -14.709 11.743 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.261 -12.862 11.398 1.00 0.00 N ATOM 0 H ASN A 91 22.000 -16.158 8.205 1.00 0.00 H new ATOM 0 HA ASN A 91 19.470 -16.442 9.746 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.633 -15.515 10.817 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.536 -14.177 9.690 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.645 -12.305 11.990 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.066 -12.427 10.947 1.00 0.00 H new ATOM 1376 N ALA A 92 19.334 -15.422 6.945 1.00 0.00 N ATOM 1377 CA ALA A 92 18.721 -14.676 5.812 1.00 0.00 C ATOM 1378 C ALA A 92 17.415 -13.947 6.194 1.00 0.00 C ATOM 1379 O ALA A 92 17.343 -12.704 6.160 1.00 0.00 O ATOM 1380 CB ALA A 92 18.467 -15.645 4.652 1.00 0.00 C ATOM 0 H ALA A 92 19.688 -16.340 6.676 1.00 0.00 H new ATOM 0 HA ALA A 92 19.426 -13.899 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.018 -15.105 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.411 -16.085 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.791 -16.435 4.979 1.00 0.00 H new ATOM 1386 N ALA A 93 16.419 -14.737 6.626 1.00 0.00 N ATOM 1387 CA ALA A 93 15.100 -14.219 7.011 1.00 0.00 C ATOM 1388 C ALA A 93 15.187 -13.317 8.243 1.00 0.00 C ATOM 1389 O ALA A 93 14.456 -12.333 8.331 1.00 0.00 O ATOM 1390 CB ALA A 93 14.117 -15.375 7.239 1.00 0.00 C ATOM 0 H ALA A 93 16.507 -15.749 6.717 1.00 0.00 H new ATOM 0 HA ALA A 93 14.727 -13.607 6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.144 -14.974 7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.017 -15.954 6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.491 -16.019 8.035 1.00 0.00 H new ATOM 1396 N GLY A 94 16.116 -13.653 9.157 1.00 0.00 N ATOM 1397 CA GLY A 94 16.312 -12.919 10.401 1.00 0.00 C ATOM 1398 C GLY A 94 16.766 -11.489 10.160 1.00 0.00 C ATOM 1399 O GLY A 94 16.210 -10.564 10.735 1.00 0.00 O ATOM 0 H GLY A 94 16.749 -14.445 9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.380 -12.912 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.052 -13.435 11.012 1.00 0.00 H new ATOM 1403 N ILE A 95 17.748 -11.330 9.258 1.00 0.00 N ATOM 1404 CA ILE A 95 18.334 -10.029 8.883 1.00 0.00 C ATOM 1405 C ILE A 95 17.256 -9.109 8.304 1.00 0.00 C ATOM 1406 O ILE A 95 17.033 -8.016 8.824 1.00 0.00 O ATOM 1407 CB ILE A 95 19.473 -10.229 7.816 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.593 -11.161 8.368 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.071 -8.875 7.336 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.334 -11.917 7.295 1.00 0.00 C ATOM 0 H ILE A 95 18.166 -12.115 8.759 1.00 0.00 H new ATOM 0 HA ILE A 95 18.756 -9.573 9.779 1.00 0.00 H new ATOM 0 HB ILE A 95 19.018 -10.707 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.305 -10.562 8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.150 -11.874 9.063 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.853 -9.063 6.601 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.285 -8.270 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.494 -8.342 8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.098 -12.545 7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.634 -12.543 6.742 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.807 -11.211 6.613 1.00 0.00 H new ATOM 1422 N ILE A 96 16.586 -9.585 7.234 1.00 0.00 N ATOM 1423 CA ILE A 96 15.541 -8.815 6.533 1.00 0.00 C ATOM 1424 C ILE A 96 14.426 -8.390 7.508 1.00 0.00 C ATOM 1425 O ILE A 96 14.093 -7.205 7.577 1.00 0.00 O ATOM 1426 CB ILE A 96 14.950 -9.616 5.297 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.899 -9.513 4.055 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.518 -9.162 4.901 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.203 -10.272 4.146 1.00 0.00 C ATOM 0 H ILE A 96 16.754 -10.508 6.835 1.00 0.00 H new ATOM 0 HA ILE A 96 16.007 -7.912 6.137 1.00 0.00 H new ATOM 0 HB ILE A 96 14.882 -10.655 5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.356 -9.868 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.126 -8.461 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.173 -9.749 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.843 -9.312 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.533 -8.106 4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.774 -10.125 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.779 -9.905 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.997 -11.334 4.279 1.00 0.00 H new ATOM 1441 N LYS A 97 13.902 -9.357 8.294 1.00 0.00 N ATOM 1442 CA LYS A 97 12.768 -9.105 9.219 1.00 0.00 C ATOM 1443 C LYS A 97 13.184 -8.174 10.374 1.00 0.00 C ATOM 1444 O LYS A 97 12.336 -7.480 10.937 1.00 0.00 O ATOM 1445 CB LYS A 97 12.137 -10.441 9.745 1.00 0.00 C ATOM 1446 CG LYS A 97 12.940 -11.237 10.826 1.00 0.00 C ATOM 1447 CD LYS A 97 12.636 -10.796 12.276 1.00 0.00 C ATOM 1448 CE LYS A 97 13.465 -11.540 13.329 1.00 0.00 C ATOM 1449 NZ LYS A 97 13.192 -11.012 14.691 1.00 0.00 N ATOM 0 H LYS A 97 14.244 -10.318 8.308 1.00 0.00 H new ATOM 0 HA LYS A 97 11.992 -8.592 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.154 -10.211 10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.979 -11.099 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.715 -12.299 10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.006 -11.117 10.635 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.822 -9.726 12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.577 -10.954 12.481 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.233 -12.604 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.526 -11.437 13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.062 -10.599 15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.454 -10.281 14.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.869 -11.786 15.305 1.00 0.00 H new ATOM 1463 N GLU A 98 14.489 -8.199 10.739 1.00 0.00 N ATOM 1464 CA GLU A 98 15.064 -7.297 11.758 1.00 0.00 C ATOM 1465 C GLU A 98 15.013 -5.855 11.263 1.00 0.00 C ATOM 1466 O GLU A 98 14.668 -4.954 12.014 1.00 0.00 O ATOM 1467 CB GLU A 98 16.533 -7.690 12.133 1.00 0.00 C ATOM 1468 CG GLU A 98 16.661 -8.779 13.223 1.00 0.00 C ATOM 1469 CD GLU A 98 16.061 -8.362 14.578 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.404 -7.270 15.078 1.00 0.00 O ATOM 1471 OE2 GLU A 98 15.283 -9.139 15.163 1.00 0.00 O ATOM 0 H GLU A 98 15.168 -8.844 10.335 1.00 0.00 H new ATOM 0 HA GLU A 98 14.463 -7.395 12.662 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.041 -8.037 11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.057 -6.796 12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.166 -9.687 12.879 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.714 -9.023 13.360 1.00 0.00 H new ATOM 1478 N ILE A 99 15.313 -5.651 9.976 1.00 0.00 N ATOM 1479 CA ILE A 99 15.366 -4.297 9.398 1.00 0.00 C ATOM 1480 C ILE A 99 13.934 -3.784 9.184 1.00 0.00 C ATOM 1481 O ILE A 99 13.646 -2.595 9.344 1.00 0.00 O ATOM 1482 CB ILE A 99 16.164 -4.277 8.056 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.563 -4.961 8.232 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.316 -2.822 7.551 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.249 -5.335 6.930 1.00 0.00 C ATOM 0 H ILE A 99 15.522 -6.399 9.315 1.00 0.00 H new ATOM 0 HA ILE A 99 15.890 -3.641 10.093 1.00 0.00 H new ATOM 0 HB ILE A 99 15.609 -4.845 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.214 -4.289 8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.440 -5.861 8.835 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.874 -2.818 6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.329 -2.389 7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.852 -2.233 8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.210 -5.802 7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.622 -6.034 6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.408 -4.438 6.332 1.00 0.00 H new ATOM 1497 N GLU A 100 13.051 -4.732 8.850 1.00 0.00 N ATOM 1498 CA GLU A 100 11.612 -4.510 8.713 1.00 0.00 C ATOM 1499 C GLU A 100 11.000 -4.027 10.030 1.00 0.00 C ATOM 1500 O GLU A 100 10.319 -3.015 10.037 1.00 0.00 O ATOM 1501 CB GLU A 100 10.935 -5.823 8.236 1.00 0.00 C ATOM 1502 CG GLU A 100 11.224 -6.181 6.767 1.00 0.00 C ATOM 1503 CD GLU A 100 10.300 -5.457 5.773 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.507 -4.248 5.522 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.358 -6.083 5.237 1.00 0.00 O ATOM 0 H GLU A 100 13.326 -5.696 8.664 1.00 0.00 H new ATOM 0 HA GLU A 100 11.443 -3.729 7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.269 -6.643 8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.857 -5.734 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.260 -5.933 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.117 -7.258 6.634 1.00 0.00 H new ATOM 1512 N GLU A 101 11.283 -4.738 11.141 1.00 0.00 N ATOM 1513 CA GLU A 101 10.696 -4.425 12.463 1.00 0.00 C ATOM 1514 C GLU A 101 11.305 -3.137 13.045 1.00 0.00 C ATOM 1515 O GLU A 101 10.614 -2.387 13.725 1.00 0.00 O ATOM 1516 CB GLU A 101 10.855 -5.608 13.464 1.00 0.00 C ATOM 1517 CG GLU A 101 12.303 -5.927 13.888 1.00 0.00 C ATOM 1518 CD GLU A 101 12.413 -7.059 14.920 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.333 -8.243 14.523 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.556 -6.768 16.134 1.00 0.00 O ATOM 0 H GLU A 101 11.917 -5.537 11.150 1.00 0.00 H new ATOM 0 HA GLU A 101 9.629 -4.265 12.311 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.273 -5.385 14.359 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.421 -6.502 13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.879 -6.198 13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.757 -5.026 14.301 1.00 0.00 H new ATOM 1527 N MET A 102 12.603 -2.886 12.753 1.00 0.00 N ATOM 1528 CA MET A 102 13.301 -1.665 13.202 1.00 0.00 C ATOM 1529 C MET A 102 12.656 -0.425 12.570 1.00 0.00 C ATOM 1530 O MET A 102 12.156 0.454 13.288 1.00 0.00 O ATOM 1531 CB MET A 102 14.828 -1.712 12.873 1.00 0.00 C ATOM 1532 CG MET A 102 15.655 -2.644 13.785 1.00 0.00 C ATOM 1533 SD MET A 102 17.449 -2.489 13.556 1.00 0.00 S ATOM 1534 CE MET A 102 17.669 -2.952 11.843 1.00 0.00 C ATOM 0 H MET A 102 13.187 -3.518 12.206 1.00 0.00 H new ATOM 0 HA MET A 102 13.203 -1.608 14.286 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.953 -2.033 11.839 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.233 -0.703 12.945 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.411 -2.429 14.825 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.362 -3.677 13.595 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.731 -2.948 11.599 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.263 -3.951 11.681 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.147 -2.240 11.204 1.00 0.00 H new ATOM 1544 N ILE A 103 12.633 -0.398 11.223 1.00 0.00 N ATOM 1545 CA ILE A 103 12.064 0.722 10.452 1.00 0.00 C ATOM 1546 C ILE A 103 10.551 0.874 10.748 1.00 0.00 C ATOM 1547 O ILE A 103 10.072 1.981 10.955 1.00 0.00 O ATOM 1548 CB ILE A 103 12.332 0.561 8.902 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.875 0.576 8.611 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.595 1.645 8.062 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.266 0.440 7.140 1.00 0.00 C ATOM 0 H ILE A 103 13.007 -1.149 10.642 1.00 0.00 H new ATOM 0 HA ILE A 103 12.568 1.635 10.770 1.00 0.00 H new ATOM 0 HB ILE A 103 11.926 -0.404 8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.291 1.507 8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.341 -0.236 9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.809 1.493 7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.521 1.567 8.229 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.938 2.635 8.364 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.352 0.462 7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.888 -0.505 6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.837 1.266 6.572 1.00 0.00 H new ATOM 1563 N ALA A 104 9.827 -0.257 10.838 1.00 0.00 N ATOM 1564 CA ALA A 104 8.373 -0.252 11.123 1.00 0.00 C ATOM 1565 C ALA A 104 8.074 0.292 12.535 1.00 0.00 C ATOM 1566 O ALA A 104 7.069 0.946 12.732 1.00 0.00 O ATOM 1567 CB ALA A 104 7.765 -1.656 10.948 1.00 0.00 C ATOM 0 H ALA A 104 10.223 -1.189 10.718 1.00 0.00 H new ATOM 0 HA ALA A 104 7.907 0.416 10.399 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.697 -1.620 11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.916 -1.993 9.922 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.250 -2.351 11.633 1.00 0.00 H new ATOM 1573 N SER A 105 8.980 0.055 13.497 1.00 0.00 N ATOM 1574 CA SER A 105 8.768 0.462 14.903 1.00 0.00 C ATOM 1575 C SER A 105 8.923 1.984 15.058 1.00 0.00 C ATOM 1576 O SER A 105 8.196 2.621 15.830 1.00 0.00 O ATOM 1577 CB SER A 105 9.754 -0.281 15.834 1.00 0.00 C ATOM 1578 OG SER A 105 9.552 0.053 17.197 1.00 0.00 O ATOM 0 H SER A 105 9.869 -0.417 13.330 1.00 0.00 H new ATOM 0 HA SER A 105 7.751 0.192 15.189 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.636 -1.357 15.703 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.777 -0.036 15.548 1.00 0.00 H new ATOM 0 HG SER A 105 10.193 -0.438 17.753 1.00 0.00 H new ATOM 1584 N GLU A 106 9.883 2.553 14.311 1.00 0.00 N ATOM 1585 CA GLU A 106 10.201 3.992 14.366 1.00 0.00 C ATOM 1586 C GLU A 106 9.284 4.819 13.435 1.00 0.00 C ATOM 1587 O GLU A 106 9.060 6.006 13.689 1.00 0.00 O ATOM 1588 CB GLU A 106 11.708 4.210 14.042 1.00 0.00 C ATOM 1589 CG GLU A 106 12.171 3.615 12.703 1.00 0.00 C ATOM 1590 CD GLU A 106 13.696 3.644 12.504 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.381 2.674 12.896 1.00 0.00 O ATOM 1592 OE2 GLU A 106 14.217 4.639 11.975 1.00 0.00 O ATOM 0 H GLU A 106 10.461 2.031 13.652 1.00 0.00 H new ATOM 0 HA GLU A 106 10.011 4.351 15.377 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.913 5.280 14.038 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.304 3.774 14.843 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.825 2.584 12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.697 4.164 11.889 1.00 0.00 H new ATOM 1599 N GLN A 107 8.749 4.189 12.368 1.00 0.00 N ATOM 1600 CA GLN A 107 7.832 4.862 11.412 1.00 0.00 C ATOM 1601 C GLN A 107 6.367 4.815 11.903 1.00 0.00 C ATOM 1602 O GLN A 107 5.620 5.789 11.741 1.00 0.00 O ATOM 1603 CB GLN A 107 7.948 4.241 9.996 1.00 0.00 C ATOM 1604 CG GLN A 107 9.315 4.444 9.292 1.00 0.00 C ATOM 1605 CD GLN A 107 9.636 5.885 8.863 1.00 0.00 C ATOM 1606 OE1 GLN A 107 9.213 6.864 9.483 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.401 6.024 7.793 1.00 0.00 N ATOM 0 H GLN A 107 8.935 3.212 12.143 1.00 0.00 H new ATOM 0 HA GLN A 107 8.135 5.908 11.355 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.751 3.171 10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.167 4.666 9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.103 4.100 9.962 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.346 3.806 8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.739 5.199 7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.653 6.956 7.464 1.00 0.00 H new ATOM 1616 N GLN A 108 5.957 3.666 12.472 1.00 0.00 N ATOM 1617 CA GLN A 108 4.624 3.510 13.084 1.00 0.00 C ATOM 1618 C GLN A 108 4.638 4.159 14.492 1.00 0.00 C ATOM 1619 O GLN A 108 4.190 5.314 14.628 1.00 0.00 O ATOM 1620 CB GLN A 108 4.192 2.004 13.158 1.00 0.00 C ATOM 1621 CG GLN A 108 4.124 1.263 11.801 1.00 0.00 C ATOM 1622 CD GLN A 108 3.179 1.893 10.773 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.162 2.502 11.115 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.505 1.743 9.496 1.00 0.00 N ATOM 1625 OXT GLN A 108 5.150 3.533 15.440 1.00 0.00 O ATOM 0 H GLN A 108 6.534 2.827 12.521 1.00 0.00 H new ATOM 0 HA GLN A 108 3.887 4.014 12.459 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.891 1.475 13.806 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.212 1.948 13.632 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.126 1.221 11.375 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.811 0.234 11.980 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.352 1.235 9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.909 2.136 8.768 1.00 0.00 H new TER 1634 GLN A 108