USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -167:sc= -0.0258 (180deg=-0.357) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.111 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.21) USER MOD Single : A 13 TYR OH : rot -6:sc= 1.24 USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0.947 (180deg=0.856) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.24 K(o=-1.2,f=0.019) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 34 THR OG1 : rot 84:sc= 1.1 USER MOD Single : A 38 SER OG : rot 180:sc= -0.102 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0759) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 45 THR OG1 : rot -63:sc= 0.901 USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.228 (180deg=-1.08) USER MOD Single : A 56 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.14 K(o=-1.1,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.216 K(o=0.22,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.629 5.946 0.359 1.00 0.00 N ATOM 2 CA LYS A 1 -13.397 4.508 0.318 1.00 0.00 C ATOM 3 C LYS A 1 -13.185 3.999 1.750 1.00 0.00 C ATOM 4 O LYS A 1 -12.234 4.415 2.418 1.00 0.00 O ATOM 5 CB LYS A 1 -12.171 4.197 -0.557 1.00 0.00 C ATOM 6 CG LYS A 1 -12.217 4.803 -1.967 1.00 0.00 C ATOM 7 CD LYS A 1 -13.343 4.277 -2.866 1.00 0.00 C ATOM 8 CE LYS A 1 -13.217 2.773 -3.161 1.00 0.00 C ATOM 9 NZ LYS A 1 -14.204 2.324 -4.167 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.989 6.266 -0.563 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.328 6.164 1.098 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.736 6.436 0.571 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.260 4.005 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.278 4.561 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.069 3.115 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.320 5.884 -1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -11.263 4.613 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.303 4.470 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -13.339 4.829 -3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.210 2.556 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.356 2.209 -2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.086 1.305 -4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -15.166 2.507 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.055 2.844 -5.056 1.00 0.00 H new ATOM 23 N SER A 2 -14.070 3.125 2.241 1.00 0.00 N ATOM 24 CA SER A 2 -14.009 2.635 3.611 1.00 0.00 C ATOM 25 C SER A 2 -12.872 1.620 3.780 1.00 0.00 C ATOM 26 O SER A 2 -12.381 1.065 2.789 1.00 0.00 O ATOM 27 CB SER A 2 -15.361 2.006 3.986 1.00 0.00 C ATOM 28 OG SER A 2 -16.254 2.091 2.893 1.00 0.00 O ATOM 0 H SER A 2 -14.844 2.742 1.698 1.00 0.00 H new ATOM 0 HA SER A 2 -13.804 3.472 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.220 0.963 4.271 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.782 2.518 4.851 1.00 0.00 H new ATOM 0 HG SER A 2 -17.112 1.687 3.139 1.00 0.00 H new ATOM 34 N PRO A 3 -12.499 1.322 5.037 1.00 0.00 N ATOM 35 CA PRO A 3 -11.531 0.292 5.373 1.00 0.00 C ATOM 36 C PRO A 3 -11.703 -0.978 4.535 1.00 0.00 C ATOM 37 O PRO A 3 -10.764 -1.384 3.855 1.00 0.00 O ATOM 38 CB PRO A 3 -11.695 0.034 6.874 1.00 0.00 C ATOM 39 CG PRO A 3 -12.133 1.404 7.392 1.00 0.00 C ATOM 40 CD PRO A 3 -13.013 1.932 6.258 1.00 0.00 C ATOM 0 HA PRO A 3 -10.518 0.622 5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.441 -0.735 7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.764 -0.297 7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.685 1.324 8.328 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.280 2.057 7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.058 1.666 6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.966 3.020 6.201 1.00 0.00 H new ATOM 48 N GLU A 4 -12.896 -1.584 4.529 1.00 0.00 N ATOM 49 CA GLU A 4 -13.146 -2.815 3.825 1.00 0.00 C ATOM 50 C GLU A 4 -13.053 -2.686 2.299 1.00 0.00 C ATOM 51 O GLU A 4 -12.958 -3.701 1.611 1.00 0.00 O ATOM 52 CB GLU A 4 -14.539 -3.280 4.220 1.00 0.00 C ATOM 53 CG GLU A 4 -14.694 -3.683 5.695 1.00 0.00 C ATOM 54 CD GLU A 4 -14.867 -2.540 6.672 1.00 0.00 C ATOM 55 OE1 GLU A 4 -15.148 -1.403 6.216 1.00 0.00 O ATOM 56 OE2 GLU A 4 -14.769 -2.822 7.891 1.00 0.00 O ATOM 0 H GLU A 4 -13.711 -1.219 5.021 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.374 -3.532 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.248 -2.482 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.813 -4.131 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.555 -4.346 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.817 -4.259 5.989 1.00 0.00 H new ATOM 63 N GLU A 5 -13.132 -1.479 1.734 1.00 0.00 N ATOM 64 CA GLU A 5 -12.956 -1.301 0.299 1.00 0.00 C ATOM 65 C GLU A 5 -11.460 -1.270 0.003 1.00 0.00 C ATOM 66 O GLU A 5 -10.979 -1.957 -0.904 1.00 0.00 O ATOM 67 CB GLU A 5 -13.646 -0.017 -0.177 1.00 0.00 C ATOM 68 CG GLU A 5 -15.134 0.017 0.195 1.00 0.00 C ATOM 69 CD GLU A 5 -15.951 -1.114 -0.423 1.00 0.00 C ATOM 70 OE1 GLU A 5 -15.936 -1.230 -1.680 1.00 0.00 O ATOM 71 OE2 GLU A 5 -16.591 -1.848 0.377 1.00 0.00 O ATOM 0 H GLU A 5 -13.316 -0.618 2.249 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.417 -2.128 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.145 0.846 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.542 0.069 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.229 -0.030 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.556 0.971 -0.120 1.00 0.00 H new ATOM 78 N LEU A 6 -10.727 -0.483 0.793 1.00 0.00 N ATOM 79 CA LEU A 6 -9.275 -0.380 0.677 1.00 0.00 C ATOM 80 C LEU A 6 -8.610 -1.726 0.992 1.00 0.00 C ATOM 81 O LEU A 6 -7.584 -2.066 0.410 1.00 0.00 O ATOM 82 CB LEU A 6 -8.745 0.755 1.566 1.00 0.00 C ATOM 83 CG LEU A 6 -9.044 2.147 0.975 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.957 3.204 2.080 1.00 0.00 C ATOM 85 CD2 LEU A 6 -8.068 2.514 -0.150 1.00 0.00 C ATOM 0 H LEU A 6 -11.125 0.099 1.530 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.018 -0.131 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.194 0.679 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.669 0.641 1.695 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.049 2.117 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.169 4.187 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.685 2.977 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.955 3.201 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.315 3.502 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.050 2.521 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.145 1.780 -0.952 1.00 0.00 H new ATOM 97 N LYS A 7 -9.211 -2.522 1.876 1.00 0.00 N ATOM 98 CA LYS A 7 -8.826 -3.905 2.129 1.00 0.00 C ATOM 99 C LYS A 7 -8.793 -4.709 0.825 1.00 0.00 C ATOM 100 O LYS A 7 -7.820 -5.410 0.544 1.00 0.00 O ATOM 101 CB LYS A 7 -9.807 -4.489 3.154 1.00 0.00 C ATOM 102 CG LYS A 7 -9.336 -5.813 3.763 1.00 0.00 C ATOM 103 CD LYS A 7 -10.321 -6.250 4.857 1.00 0.00 C ATOM 104 CE LYS A 7 -9.989 -7.671 5.327 1.00 0.00 C ATOM 105 NZ LYS A 7 -10.961 -8.193 6.308 1.00 0.00 N ATOM 0 H LYS A 7 -9.997 -2.213 2.448 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.816 -3.955 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.959 -3.764 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.774 -4.642 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.271 -6.579 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.337 -5.698 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.272 -5.559 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.341 -6.214 4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.959 -8.336 4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.993 -7.678 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.687 -9.156 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.973 -7.577 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.909 -8.214 5.880 1.00 0.00 H new ATOM 119 N GLY A 8 -9.842 -4.576 0.007 1.00 0.00 N ATOM 120 CA GLY A 8 -9.916 -5.242 -1.282 1.00 0.00 C ATOM 121 C GLY A 8 -8.750 -4.809 -2.168 1.00 0.00 C ATOM 122 O GLY A 8 -8.045 -5.644 -2.731 1.00 0.00 O ATOM 0 H GLY A 8 -10.658 -4.004 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.894 -6.323 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.861 -5.002 -1.769 1.00 0.00 H new ATOM 126 N ILE A 9 -8.541 -3.492 -2.274 1.00 0.00 N ATOM 127 CA ILE A 9 -7.446 -2.913 -3.048 1.00 0.00 C ATOM 128 C ILE A 9 -6.111 -3.522 -2.599 1.00 0.00 C ATOM 129 O ILE A 9 -5.361 -4.057 -3.418 1.00 0.00 O ATOM 130 CB ILE A 9 -7.464 -1.377 -2.916 1.00 0.00 C ATOM 131 CG1 ILE A 9 -8.755 -0.761 -3.488 1.00 0.00 C ATOM 132 CG2 ILE A 9 -6.222 -0.727 -3.539 1.00 0.00 C ATOM 133 CD1 ILE A 9 -8.718 -0.565 -5.005 1.00 0.00 C ATOM 0 H ILE A 9 -9.133 -2.796 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.572 -3.149 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.443 -1.163 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.598 -1.403 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.932 0.202 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.280 0.355 -3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.327 -1.099 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.175 -0.975 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.659 -0.128 -5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.896 0.101 -5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.573 -1.529 -5.493 1.00 0.00 H new ATOM 145 N PHE A 10 -5.823 -3.445 -1.295 1.00 0.00 N ATOM 146 CA PHE A 10 -4.643 -4.049 -0.699 1.00 0.00 C ATOM 147 C PHE A 10 -4.503 -5.506 -1.153 1.00 0.00 C ATOM 148 O PHE A 10 -3.484 -5.849 -1.745 1.00 0.00 O ATOM 149 CB PHE A 10 -4.691 -3.919 0.831 1.00 0.00 C ATOM 150 CG PHE A 10 -3.581 -4.662 1.547 1.00 0.00 C ATOM 151 CD1 PHE A 10 -2.289 -4.113 1.617 1.00 0.00 C ATOM 152 CD2 PHE A 10 -3.764 -6.035 1.828 1.00 0.00 C ATOM 153 CE1 PHE A 10 -1.189 -4.963 1.838 1.00 0.00 C ATOM 154 CE2 PHE A 10 -2.661 -6.894 1.799 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.363 -6.352 1.790 1.00 0.00 C ATOM 0 H PHE A 10 -6.414 -2.955 -0.623 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.755 -3.517 -1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.639 -2.863 1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.652 -4.291 1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.142 -3.049 1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.746 -6.417 2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.214 -4.546 2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.804 -7.964 1.784 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.504 -7.005 1.746 1.00 0.00 H new ATOM 165 N GLU A 11 -5.502 -6.368 -0.905 1.00 0.00 N ATOM 166 CA GLU A 11 -5.373 -7.786 -1.245 1.00 0.00 C ATOM 167 C GLU A 11 -5.139 -7.980 -2.748 1.00 0.00 C ATOM 168 O GLU A 11 -4.372 -8.859 -3.157 1.00 0.00 O ATOM 169 CB GLU A 11 -6.592 -8.605 -0.784 1.00 0.00 C ATOM 170 CG GLU A 11 -6.187 -10.087 -0.662 1.00 0.00 C ATOM 171 CD GLU A 11 -7.350 -11.050 -0.798 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.125 -11.172 0.178 1.00 0.00 O ATOM 173 OE2 GLU A 11 -7.444 -11.699 -1.868 1.00 0.00 O ATOM 0 H GLU A 11 -6.392 -6.110 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.501 -8.158 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.953 -8.234 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.410 -8.496 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.446 -10.316 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.707 -10.245 0.304 1.00 0.00 H new ATOM 180 N LYS A 12 -5.831 -7.190 -3.577 1.00 0.00 N ATOM 181 CA LYS A 12 -5.722 -7.272 -5.023 1.00 0.00 C ATOM 182 C LYS A 12 -4.257 -7.189 -5.436 1.00 0.00 C ATOM 183 O LYS A 12 -3.789 -8.070 -6.155 1.00 0.00 O ATOM 184 CB LYS A 12 -6.598 -6.203 -5.701 1.00 0.00 C ATOM 185 CG LYS A 12 -6.791 -6.450 -7.206 1.00 0.00 C ATOM 186 CD LYS A 12 -7.722 -5.415 -7.867 1.00 0.00 C ATOM 187 CE LYS A 12 -7.050 -4.043 -8.041 1.00 0.00 C ATOM 188 NZ LYS A 12 -7.934 -3.043 -8.676 1.00 0.00 N ATOM 0 H LYS A 12 -6.483 -6.475 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.101 -8.236 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.573 -6.178 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.144 -5.223 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.820 -6.427 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.201 -7.449 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.039 -5.787 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.621 -5.301 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.734 -3.673 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.150 -4.159 -8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.397 -2.172 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.297 -3.421 -9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.731 -2.831 -8.042 1.00 0.00 H new ATOM 202 N TYR A 13 -3.529 -6.173 -4.964 1.00 0.00 N ATOM 203 CA TYR A 13 -2.118 -6.032 -5.298 1.00 0.00 C ATOM 204 C TYR A 13 -1.230 -6.959 -4.475 1.00 0.00 C ATOM 205 O TYR A 13 -0.325 -7.550 -5.055 1.00 0.00 O ATOM 206 CB TYR A 13 -1.667 -4.573 -5.245 1.00 0.00 C ATOM 207 CG TYR A 13 -2.224 -3.775 -6.406 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.523 -3.250 -6.319 1.00 0.00 C ATOM 209 CD2 TYR A 13 -1.478 -3.591 -7.587 1.00 0.00 C ATOM 210 CE1 TYR A 13 -4.085 -2.578 -7.410 1.00 0.00 C ATOM 211 CE2 TYR A 13 -2.086 -3.007 -8.715 1.00 0.00 C ATOM 212 CZ TYR A 13 -3.392 -2.497 -8.628 1.00 0.00 C ATOM 213 OH TYR A 13 -3.980 -1.922 -9.717 1.00 0.00 O ATOM 0 H TYR A 13 -3.895 -5.443 -4.353 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.001 -6.354 -6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.992 -4.125 -4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.578 -4.527 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.090 -3.365 -5.407 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.443 -3.897 -7.627 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.058 -2.119 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.547 -2.951 -9.649 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.914 -1.711 -9.511 1.00 0.00 H new ATOM 223 N ALA A 14 -1.463 -7.138 -3.166 1.00 0.00 N ATOM 224 CA ALA A 14 -0.641 -8.015 -2.335 1.00 0.00 C ATOM 225 C ALA A 14 -0.364 -9.374 -2.974 1.00 0.00 C ATOM 226 O ALA A 14 0.707 -9.952 -2.768 1.00 0.00 O ATOM 227 CB ALA A 14 -1.335 -8.229 -1.001 1.00 0.00 C ATOM 0 H ALA A 14 -2.222 -6.680 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 14 0.322 -7.520 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.727 -8.883 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.467 -7.269 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.309 -8.689 -1.167 1.00 0.00 H new ATOM 233 N ALA A 15 -1.326 -9.896 -3.735 1.00 0.00 N ATOM 234 CA ALA A 15 -1.183 -11.199 -4.349 1.00 0.00 C ATOM 235 C ALA A 15 -0.128 -11.263 -5.460 1.00 0.00 C ATOM 236 O ALA A 15 0.419 -12.344 -5.695 1.00 0.00 O ATOM 237 CB ALA A 15 -2.546 -11.635 -4.869 1.00 0.00 C ATOM 0 H ALA A 15 -2.210 -9.429 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.818 -11.882 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.460 -12.616 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.252 -11.688 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.903 -10.913 -5.604 1.00 0.00 H new ATOM 243 N LYS A 16 0.145 -10.160 -6.166 1.00 0.00 N ATOM 244 CA LYS A 16 0.813 -10.172 -7.462 1.00 0.00 C ATOM 245 C LYS A 16 2.166 -10.891 -7.477 1.00 0.00 C ATOM 246 O LYS A 16 2.379 -11.766 -8.321 1.00 0.00 O ATOM 247 CB LYS A 16 0.905 -8.739 -8.021 1.00 0.00 C ATOM 248 CG LYS A 16 0.212 -8.503 -9.375 1.00 0.00 C ATOM 249 CD LYS A 16 -1.213 -9.066 -9.532 1.00 0.00 C ATOM 250 CE LYS A 16 -2.177 -8.643 -8.418 1.00 0.00 C ATOM 251 NZ LYS A 16 -3.419 -9.448 -8.418 1.00 0.00 N ATOM 0 H LYS A 16 -0.097 -9.223 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 16 0.191 -10.774 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.474 -8.055 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.958 -8.475 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.175 -7.429 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.837 -8.936 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.617 -8.741 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.162 -10.154 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.681 -8.744 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.429 -7.589 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.995 -9.197 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.958 -9.254 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.178 -10.459 -8.379 1.00 0.00 H new ATOM 265 N GLU A 17 3.107 -10.519 -6.610 1.00 0.00 N ATOM 266 CA GLU A 17 4.419 -11.175 -6.572 1.00 0.00 C ATOM 267 C GLU A 17 5.119 -11.061 -5.217 1.00 0.00 C ATOM 268 O GLU A 17 4.718 -10.282 -4.349 1.00 0.00 O ATOM 269 CB GLU A 17 5.303 -10.736 -7.751 1.00 0.00 C ATOM 270 CG GLU A 17 5.339 -9.229 -8.012 1.00 0.00 C ATOM 271 CD GLU A 17 6.141 -8.954 -9.267 1.00 0.00 C ATOM 272 OE1 GLU A 17 5.579 -9.178 -10.364 1.00 0.00 O ATOM 273 OE2 GLU A 17 7.325 -8.555 -9.153 1.00 0.00 O ATOM 0 H GLU A 17 2.989 -9.771 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 17 4.236 -12.242 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.321 -11.082 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.952 -11.237 -8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.325 -8.844 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.785 -8.712 -7.162 1.00 0.00 H new ATOM 280 N GLY A 18 6.111 -11.924 -4.993 1.00 0.00 N ATOM 281 CA GLY A 18 6.632 -12.199 -3.669 1.00 0.00 C ATOM 282 C GLY A 18 5.561 -12.904 -2.835 1.00 0.00 C ATOM 283 O GLY A 18 4.686 -13.591 -3.367 1.00 0.00 O ATOM 0 H GLY A 18 6.573 -12.451 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.522 -12.824 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.932 -11.270 -3.185 1.00 0.00 H new ATOM 287 N ASP A 19 5.601 -12.704 -1.520 1.00 0.00 N ATOM 288 CA ASP A 19 4.677 -13.313 -0.572 1.00 0.00 C ATOM 289 C ASP A 19 3.225 -12.953 -0.916 1.00 0.00 C ATOM 290 O ASP A 19 2.953 -11.776 -1.188 1.00 0.00 O ATOM 291 CB ASP A 19 5.066 -12.820 0.822 1.00 0.00 C ATOM 292 CG ASP A 19 4.192 -13.355 1.937 1.00 0.00 C ATOM 293 OD1 ASP A 19 3.029 -12.899 2.059 1.00 0.00 O ATOM 294 OD2 ASP A 19 4.740 -14.194 2.695 1.00 0.00 O ATOM 0 H ASP A 19 6.293 -12.100 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 19 4.741 -14.400 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.100 -13.102 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.025 -11.731 0.834 1.00 0.00 H new ATOM 299 N PRO A 20 2.302 -13.933 -0.973 1.00 0.00 N ATOM 300 CA PRO A 20 0.949 -13.745 -1.481 1.00 0.00 C ATOM 301 C PRO A 20 0.076 -12.878 -0.570 1.00 0.00 C ATOM 302 O PRO A 20 -0.942 -12.352 -1.020 1.00 0.00 O ATOM 303 CB PRO A 20 0.372 -15.155 -1.635 1.00 0.00 C ATOM 304 CG PRO A 20 1.121 -15.957 -0.575 1.00 0.00 C ATOM 305 CD PRO A 20 2.509 -15.322 -0.602 1.00 0.00 C ATOM 0 HA PRO A 20 0.970 -13.203 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.705 -15.170 -1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.542 -15.553 -2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.654 -15.870 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.155 -17.019 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 20 2.993 -15.399 0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.156 -15.826 -1.320 1.00 0.00 H new ATOM 313 N ASN A 21 0.441 -12.751 0.706 1.00 0.00 N ATOM 314 CA ASN A 21 -0.322 -11.986 1.679 1.00 0.00 C ATOM 315 C ASN A 21 0.227 -10.564 1.770 1.00 0.00 C ATOM 316 O ASN A 21 -0.526 -9.633 2.048 1.00 0.00 O ATOM 317 CB ASN A 21 -0.232 -12.724 3.012 1.00 0.00 C ATOM 318 CG ASN A 21 -0.716 -11.907 4.206 1.00 0.00 C ATOM 319 OD1 ASN A 21 -1.879 -11.506 4.283 1.00 0.00 O ATOM 320 ND2 ASN A 21 0.177 -11.691 5.167 1.00 0.00 N ATOM 0 H ASN A 21 1.282 -13.181 1.091 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.368 -11.899 1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.819 -13.640 2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.803 -13.020 3.183 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.091 -11.177 6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.130 -12.040 5.065 1.00 0.00 H new ATOM 327 N GLN A 22 1.533 -10.386 1.540 1.00 0.00 N ATOM 328 CA GLN A 22 2.179 -9.086 1.659 1.00 0.00 C ATOM 329 C GLN A 22 2.246 -8.298 0.353 1.00 0.00 C ATOM 330 O GLN A 22 2.294 -8.866 -0.743 1.00 0.00 O ATOM 331 CB GLN A 22 3.604 -9.278 2.167 1.00 0.00 C ATOM 332 CG GLN A 22 3.611 -9.727 3.631 1.00 0.00 C ATOM 333 CD GLN A 22 4.827 -10.565 4.004 1.00 0.00 C ATOM 334 OE1 GLN A 22 4.795 -11.257 5.021 1.00 0.00 O ATOM 335 NE2 GLN A 22 5.901 -10.523 3.227 1.00 0.00 N ATOM 0 H GLN A 22 2.164 -11.139 1.268 1.00 0.00 H new ATOM 0 HA GLN A 22 1.566 -8.510 2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.115 -10.020 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.158 -8.345 2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.576 -8.847 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.708 -10.303 3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.902 -9.941 2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.726 -11.073 3.467 1.00 0.00 H new ATOM 344 N LEU A 23 2.344 -6.976 0.515 1.00 0.00 N ATOM 345 CA LEU A 23 2.833 -6.027 -0.462 1.00 0.00 C ATOM 346 C LEU A 23 4.348 -5.939 -0.318 1.00 0.00 C ATOM 347 O LEU A 23 4.820 -5.386 0.679 1.00 0.00 O ATOM 348 CB LEU A 23 2.229 -4.648 -0.158 1.00 0.00 C ATOM 349 CG LEU A 23 0.901 -4.388 -0.877 1.00 0.00 C ATOM 350 CD1 LEU A 23 0.376 -3.006 -0.469 1.00 0.00 C ATOM 351 CD2 LEU A 23 1.014 -4.400 -2.409 1.00 0.00 C ATOM 0 H LEU A 23 2.065 -6.523 1.386 1.00 0.00 H new ATOM 0 HA LEU A 23 2.559 -6.339 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.074 -4.557 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.944 -3.876 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 23 0.232 -5.197 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.569 -2.812 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.222 -2.979 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.102 -2.243 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.035 -4.209 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.712 -3.626 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.376 -5.374 -2.740 1.00 0.00 H new ATOM 363 N SER A 24 5.111 -6.440 -1.292 1.00 0.00 N ATOM 364 CA SER A 24 6.537 -6.160 -1.332 1.00 0.00 C ATOM 365 C SER A 24 6.799 -4.733 -1.824 1.00 0.00 C ATOM 366 O SER A 24 5.943 -4.078 -2.418 1.00 0.00 O ATOM 367 CB SER A 24 7.337 -7.252 -2.054 1.00 0.00 C ATOM 368 OG SER A 24 6.585 -7.862 -3.081 1.00 0.00 O ATOM 0 H SER A 24 4.768 -7.031 -2.049 1.00 0.00 H new ATOM 0 HA SER A 24 6.922 -6.196 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.244 -6.819 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.650 -8.009 -1.335 1.00 0.00 H new ATOM 0 HG SER A 24 7.128 -8.551 -3.519 1.00 0.00 H new ATOM 374 N LYS A 25 8.002 -4.241 -1.531 1.00 0.00 N ATOM 375 CA LYS A 25 8.466 -2.896 -1.825 1.00 0.00 C ATOM 376 C LYS A 25 8.208 -2.528 -3.278 1.00 0.00 C ATOM 377 O LYS A 25 7.506 -1.557 -3.554 1.00 0.00 O ATOM 378 CB LYS A 25 9.927 -2.804 -1.368 1.00 0.00 C ATOM 379 CG LYS A 25 10.670 -1.532 -1.786 1.00 0.00 C ATOM 380 CD LYS A 25 12.060 -1.442 -1.139 1.00 0.00 C ATOM 381 CE LYS A 25 12.000 -1.143 0.368 1.00 0.00 C ATOM 382 NZ LYS A 25 13.341 -0.953 0.950 1.00 0.00 N ATOM 0 H LYS A 25 8.711 -4.802 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 25 7.905 -2.141 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.955 -2.879 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.467 -3.665 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.773 -1.511 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.081 -0.659 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.590 -2.381 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.637 -0.662 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.402 -0.247 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.496 -1.963 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.253 -0.511 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.812 -1.875 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.905 -0.339 0.329 1.00 0.00 H new ATOM 396 N GLU A 26 8.727 -3.331 -4.206 1.00 0.00 N ATOM 397 CA GLU A 26 8.404 -3.135 -5.612 1.00 0.00 C ATOM 398 C GLU A 26 6.891 -3.239 -5.848 1.00 0.00 C ATOM 399 O GLU A 26 6.328 -2.423 -6.566 1.00 0.00 O ATOM 400 CB GLU A 26 9.189 -4.097 -6.498 1.00 0.00 C ATOM 401 CG GLU A 26 9.042 -3.677 -7.964 1.00 0.00 C ATOM 402 CD GLU A 26 9.555 -4.738 -8.895 1.00 0.00 C ATOM 403 OE1 GLU A 26 9.078 -5.886 -8.790 1.00 0.00 O ATOM 404 OE2 GLU A 26 10.409 -4.412 -9.745 1.00 0.00 O ATOM 0 H GLU A 26 9.360 -4.107 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 26 8.706 -2.126 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.241 -4.096 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.823 -5.115 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.993 -3.476 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.587 -2.748 -8.134 1.00 0.00 H new ATOM 411 N GLU A 27 6.214 -4.234 -5.271 1.00 0.00 N ATOM 412 CA GLU A 27 4.789 -4.478 -5.496 1.00 0.00 C ATOM 413 C GLU A 27 3.945 -3.217 -5.248 1.00 0.00 C ATOM 414 O GLU A 27 2.965 -2.978 -5.959 1.00 0.00 O ATOM 415 CB GLU A 27 4.361 -5.659 -4.610 1.00 0.00 C ATOM 416 CG GLU A 27 3.196 -6.509 -5.129 1.00 0.00 C ATOM 417 CD GLU A 27 3.028 -7.731 -4.244 1.00 0.00 C ATOM 418 OE1 GLU A 27 3.527 -7.752 -3.102 1.00 0.00 O ATOM 419 OE2 GLU A 27 2.451 -8.762 -4.637 1.00 0.00 O ATOM 0 H GLU A 27 6.644 -4.899 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 27 4.617 -4.734 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.223 -6.310 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.090 -5.270 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.278 -5.922 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.385 -6.815 -6.158 1.00 0.00 H new ATOM 426 N LEU A 28 4.326 -2.384 -4.269 1.00 0.00 N ATOM 427 CA LEU A 28 3.681 -1.089 -4.072 1.00 0.00 C ATOM 428 C LEU A 28 3.610 -0.255 -5.370 1.00 0.00 C ATOM 429 O LEU A 28 2.603 0.401 -5.631 1.00 0.00 O ATOM 430 CB LEU A 28 4.460 -0.358 -2.970 1.00 0.00 C ATOM 431 CG LEU A 28 3.721 0.839 -2.354 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.419 0.438 -1.652 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.644 1.506 -1.327 1.00 0.00 C ATOM 0 H LEU A 28 5.075 -2.587 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 28 2.643 -1.238 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.698 -1.069 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.408 -0.011 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 28 3.460 1.517 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.941 1.325 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.748 -0.032 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.640 -0.265 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.134 2.359 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.901 0.788 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.554 1.846 -1.822 1.00 0.00 H new ATOM 445 N LYS A 29 4.671 -0.276 -6.185 1.00 0.00 N ATOM 446 CA LYS A 29 4.814 0.467 -7.439 1.00 0.00 C ATOM 447 C LYS A 29 3.535 0.424 -8.281 1.00 0.00 C ATOM 448 O LYS A 29 2.900 1.454 -8.524 1.00 0.00 O ATOM 449 CB LYS A 29 6.002 -0.125 -8.221 1.00 0.00 C ATOM 450 CG LYS A 29 6.339 0.534 -9.558 1.00 0.00 C ATOM 451 CD LYS A 29 7.049 1.874 -9.358 1.00 0.00 C ATOM 452 CE LYS A 29 7.510 2.439 -10.705 1.00 0.00 C ATOM 453 NZ LYS A 29 8.734 1.791 -11.232 1.00 0.00 N ATOM 0 H LYS A 29 5.494 -0.841 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 29 4.998 1.517 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.886 -0.077 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.798 -1.180 -8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.973 -0.132 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.424 0.687 -10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.377 2.580 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.907 1.744 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.706 2.324 -11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.692 3.508 -10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.989 2.221 -12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.514 1.922 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.559 0.775 -11.365 1.00 0.00 H new ATOM 467 N LEU A 30 3.185 -0.772 -8.764 1.00 0.00 N ATOM 468 CA LEU A 30 2.047 -0.978 -9.647 1.00 0.00 C ATOM 469 C LEU A 30 0.770 -0.420 -9.009 1.00 0.00 C ATOM 470 O LEU A 30 -0.016 0.260 -9.676 1.00 0.00 O ATOM 471 CB LEU A 30 1.884 -2.460 -10.052 1.00 0.00 C ATOM 472 CG LEU A 30 2.890 -3.498 -9.515 1.00 0.00 C ATOM 473 CD1 LEU A 30 2.323 -4.908 -9.719 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.235 -3.409 -10.253 1.00 0.00 C ATOM 0 H LEU A 30 3.693 -1.629 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 30 2.237 -0.428 -10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.888 -2.777 -9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.911 -2.508 -11.141 1.00 0.00 H new ATOM 0 HG LEU A 30 3.052 -3.291 -8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.032 -5.644 -9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.380 -5.002 -9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.153 -5.082 -10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.921 -4.154 -9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.080 -3.596 -11.316 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.659 -2.414 -10.117 1.00 0.00 H new ATOM 486 N LEU A 31 0.592 -0.694 -7.711 1.00 0.00 N ATOM 487 CA LEU A 31 -0.525 -0.206 -6.911 1.00 0.00 C ATOM 488 C LEU A 31 -0.702 1.291 -7.128 1.00 0.00 C ATOM 489 O LEU A 31 -1.752 1.760 -7.571 1.00 0.00 O ATOM 490 CB LEU A 31 -0.262 -0.493 -5.423 1.00 0.00 C ATOM 491 CG LEU A 31 -1.518 -0.827 -4.613 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.202 -0.824 -3.114 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.689 0.122 -4.871 1.00 0.00 C ATOM 0 H LEU A 31 1.240 -1.276 -7.180 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.437 -0.719 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.439 -1.324 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.223 0.376 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.826 -1.819 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.104 -1.063 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.435 -1.569 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.842 0.162 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.542 -0.178 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.397 1.139 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.964 0.082 -5.925 1.00 0.00 H new ATOM 505 N LEU A 32 0.358 2.037 -6.811 1.00 0.00 N ATOM 506 CA LEU A 32 0.348 3.489 -6.885 1.00 0.00 C ATOM 507 C LEU A 32 -0.012 3.926 -8.299 1.00 0.00 C ATOM 508 O LEU A 32 -0.976 4.673 -8.498 1.00 0.00 O ATOM 509 CB LEU A 32 1.719 4.072 -6.509 1.00 0.00 C ATOM 510 CG LEU A 32 2.213 3.734 -5.097 1.00 0.00 C ATOM 511 CD1 LEU A 32 3.679 4.148 -4.960 1.00 0.00 C ATOM 512 CD2 LEU A 32 1.372 4.432 -4.025 1.00 0.00 C ATOM 0 H LEU A 32 1.246 1.646 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.393 3.861 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.456 3.715 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.674 5.156 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 32 2.114 2.659 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.032 3.909 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.279 3.610 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.772 5.220 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.751 4.169 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.432 5.512 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.334 4.112 -4.112 1.00 0.00 H new ATOM 524 N GLN A 33 0.786 3.451 -9.263 1.00 0.00 N ATOM 525 CA GLN A 33 0.752 3.923 -10.634 1.00 0.00 C ATOM 526 C GLN A 33 -0.598 3.669 -11.304 1.00 0.00 C ATOM 527 O GLN A 33 -0.921 4.312 -12.310 1.00 0.00 O ATOM 528 CB GLN A 33 1.897 3.256 -11.409 1.00 0.00 C ATOM 529 CG GLN A 33 3.058 4.222 -11.672 1.00 0.00 C ATOM 530 CD GLN A 33 4.112 3.690 -12.646 1.00 0.00 C ATOM 531 OE1 GLN A 33 4.732 4.462 -13.386 1.00 0.00 O ATOM 532 NE2 GLN A 33 4.338 2.381 -12.644 1.00 0.00 N ATOM 0 H GLN A 33 1.478 2.720 -9.101 1.00 0.00 H new ATOM 0 HA GLN A 33 0.885 5.005 -10.636 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.262 2.397 -10.847 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.519 2.878 -12.359 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.656 5.156 -12.065 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.542 4.457 -10.724 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.808 1.773 -12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.042 1.984 -13.266 1.00 0.00 H new ATOM 541 N THR A 34 -1.347 2.690 -10.799 1.00 0.00 N ATOM 542 CA THR A 34 -2.639 2.307 -11.332 1.00 0.00 C ATOM 543 C THR A 34 -3.784 2.945 -10.535 1.00 0.00 C ATOM 544 O THR A 34 -4.609 3.640 -11.128 1.00 0.00 O ATOM 545 CB THR A 34 -2.689 0.775 -11.429 1.00 0.00 C ATOM 546 OG1 THR A 34 -1.473 0.323 -12.015 1.00 0.00 O ATOM 547 CG2 THR A 34 -3.862 0.292 -12.285 1.00 0.00 C ATOM 0 H THR A 34 -1.061 2.135 -9.993 1.00 0.00 H new ATOM 0 HA THR A 34 -2.777 2.695 -12.341 1.00 0.00 H new ATOM 0 HB THR A 34 -2.822 0.372 -10.425 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.784 0.247 -11.322 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.858 -0.797 -12.326 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.799 0.635 -11.846 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.766 0.693 -13.294 1.00 0.00 H new ATOM 555 N GLU A 35 -3.861 2.726 -9.216 1.00 0.00 N ATOM 556 CA GLU A 35 -5.057 3.074 -8.455 1.00 0.00 C ATOM 557 C GLU A 35 -5.035 4.497 -7.874 1.00 0.00 C ATOM 558 O GLU A 35 -6.111 5.093 -7.731 1.00 0.00 O ATOM 559 CB GLU A 35 -5.309 2.048 -7.346 1.00 0.00 C ATOM 560 CG GLU A 35 -5.341 0.581 -7.802 1.00 0.00 C ATOM 561 CD GLU A 35 -6.505 0.191 -8.705 1.00 0.00 C ATOM 562 OE1 GLU A 35 -7.512 0.929 -8.757 1.00 0.00 O ATOM 563 OE2 GLU A 35 -6.411 -0.903 -9.318 1.00 0.00 O ATOM 0 H GLU A 35 -3.112 2.312 -8.661 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.880 3.053 -9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.533 2.159 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.259 2.283 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.411 0.363 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.364 -0.054 -6.917 1.00 0.00 H new ATOM 570 N PHE A 36 -3.863 5.050 -7.519 1.00 0.00 N ATOM 571 CA PHE A 36 -3.781 6.305 -6.756 1.00 0.00 C ATOM 572 C PHE A 36 -2.983 7.404 -7.484 1.00 0.00 C ATOM 573 O PHE A 36 -2.121 8.022 -6.859 1.00 0.00 O ATOM 574 CB PHE A 36 -3.160 6.017 -5.373 1.00 0.00 C ATOM 575 CG PHE A 36 -3.987 5.154 -4.435 1.00 0.00 C ATOM 576 CD1 PHE A 36 -3.856 3.756 -4.473 1.00 0.00 C ATOM 577 CD2 PHE A 36 -4.738 5.745 -3.400 1.00 0.00 C ATOM 578 CE1 PHE A 36 -4.505 2.957 -3.515 1.00 0.00 C ATOM 579 CE2 PHE A 36 -5.321 4.953 -2.398 1.00 0.00 C ATOM 580 CZ PHE A 36 -5.218 3.554 -2.465 1.00 0.00 C ATOM 0 H PHE A 36 -2.956 4.645 -7.750 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.795 6.688 -6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.196 5.532 -5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.964 6.969 -4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.254 3.293 -5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.866 6.817 -3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.454 1.881 -3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.847 5.418 -1.578 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.686 2.940 -1.710 1.00 0.00 H new ATOM 590 N PRO A 37 -3.265 7.710 -8.765 1.00 0.00 N ATOM 591 CA PRO A 37 -2.467 8.640 -9.557 1.00 0.00 C ATOM 592 C PRO A 37 -2.415 10.047 -8.951 1.00 0.00 C ATOM 593 O PRO A 37 -1.390 10.720 -9.035 1.00 0.00 O ATOM 594 CB PRO A 37 -3.093 8.643 -10.957 1.00 0.00 C ATOM 595 CG PRO A 37 -4.536 8.210 -10.706 1.00 0.00 C ATOM 596 CD PRO A 37 -4.393 7.227 -9.546 1.00 0.00 C ATOM 0 HA PRO A 37 -1.425 8.321 -9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.045 9.631 -11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.579 7.955 -11.628 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.173 9.055 -10.445 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.976 7.739 -11.585 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.302 7.194 -8.945 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.215 6.215 -9.909 1.00 0.00 H new ATOM 604 N SER A 38 -3.513 10.509 -8.347 1.00 0.00 N ATOM 605 CA SER A 38 -3.564 11.826 -7.733 1.00 0.00 C ATOM 606 C SER A 38 -2.915 11.807 -6.348 1.00 0.00 C ATOM 607 O SER A 38 -1.985 12.556 -6.049 1.00 0.00 O ATOM 608 CB SER A 38 -5.027 12.267 -7.656 1.00 0.00 C ATOM 609 OG SER A 38 -5.800 11.290 -6.971 1.00 0.00 O ATOM 0 H SER A 38 -4.382 9.981 -8.273 1.00 0.00 H new ATOM 0 HA SER A 38 -3.002 12.539 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.099 13.225 -7.141 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.423 12.415 -8.661 1.00 0.00 H new ATOM 0 HG SER A 38 -6.734 11.584 -6.926 1.00 0.00 H new ATOM 615 N LEU A 39 -3.431 10.943 -5.481 1.00 0.00 N ATOM 616 CA LEU A 39 -3.066 10.841 -4.095 1.00 0.00 C ATOM 617 C LEU A 39 -1.567 10.568 -3.924 1.00 0.00 C ATOM 618 O LEU A 39 -0.982 11.015 -2.932 1.00 0.00 O ATOM 619 CB LEU A 39 -3.974 9.755 -3.512 1.00 0.00 C ATOM 620 CG LEU A 39 -5.404 10.270 -3.250 1.00 0.00 C ATOM 621 CD1 LEU A 39 -6.378 9.099 -3.072 1.00 0.00 C ATOM 622 CD2 LEU A 39 -5.469 11.151 -1.995 1.00 0.00 C ATOM 0 H LEU A 39 -4.147 10.269 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.215 11.776 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.014 8.910 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.545 9.387 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.688 10.865 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.381 9.485 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.383 8.490 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.063 8.489 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.492 11.494 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.148 10.573 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.812 12.012 -2.120 1.00 0.00 H new ATOM 634 N LEU A 40 -0.926 9.898 -4.896 1.00 0.00 N ATOM 635 CA LEU A 40 0.497 9.575 -4.814 1.00 0.00 C ATOM 636 C LEU A 40 1.432 10.778 -4.972 1.00 0.00 C ATOM 637 O LEU A 40 2.646 10.604 -4.827 1.00 0.00 O ATOM 638 CB LEU A 40 0.879 8.442 -5.780 1.00 0.00 C ATOM 639 CG LEU A 40 0.845 8.782 -7.283 1.00 0.00 C ATOM 640 CD1 LEU A 40 1.979 9.688 -7.775 1.00 0.00 C ATOM 641 CD2 LEU A 40 0.931 7.485 -8.091 1.00 0.00 C ATOM 0 H LEU A 40 -1.379 9.571 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 40 0.646 9.226 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.884 8.103 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.207 7.602 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.088 9.326 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.864 9.867 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.943 10.638 -7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.938 9.204 -7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.907 7.717 -9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.861 6.969 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.086 6.844 -7.841 1.00 0.00 H new ATOM 653 N LYS A 41 0.934 11.985 -5.272 1.00 0.00 N ATOM 654 CA LYS A 41 1.791 13.111 -5.655 1.00 0.00 C ATOM 655 C LYS A 41 2.477 13.777 -4.440 1.00 0.00 C ATOM 656 O LYS A 41 2.504 15.005 -4.327 1.00 0.00 O ATOM 657 CB LYS A 41 0.998 14.105 -6.525 1.00 0.00 C ATOM 658 CG LYS A 41 0.374 13.479 -7.788 1.00 0.00 C ATOM 659 CD LYS A 41 1.343 13.100 -8.914 1.00 0.00 C ATOM 660 CE LYS A 41 1.494 14.181 -9.990 1.00 0.00 C ATOM 661 NZ LYS A 41 2.135 15.402 -9.473 1.00 0.00 N ATOM 0 H LYS A 41 -0.062 12.205 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 41 2.612 12.725 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.205 14.546 -5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.660 14.917 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.171 12.583 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.358 14.179 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.322 12.890 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.997 12.179 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.084 13.786 -10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.511 14.431 -10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.307 16.063 -10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.512 15.851 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.040 15.155 -9.023 1.00 0.00 H new ATOM 675 N GLY A 42 3.106 12.990 -3.558 1.00 0.00 N ATOM 676 CA GLY A 42 3.959 13.461 -2.467 1.00 0.00 C ATOM 677 C GLY A 42 5.409 13.582 -2.931 1.00 0.00 C ATOM 678 O GLY A 42 5.699 13.359 -4.111 1.00 0.00 O ATOM 0 H GLY A 42 3.030 11.973 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.603 14.428 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.897 12.770 -1.626 1.00 0.00 H new ATOM 682 N GLY A 43 6.337 13.880 -2.018 1.00 0.00 N ATOM 683 CA GLY A 43 7.753 14.062 -2.334 1.00 0.00 C ATOM 684 C GLY A 43 8.493 12.732 -2.247 1.00 0.00 C ATOM 685 O GLY A 43 9.569 12.612 -1.656 1.00 0.00 O ATOM 0 H GLY A 43 6.122 14.003 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.858 14.479 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.197 14.778 -1.643 1.00 0.00 H new ATOM 689 N SER A 44 7.859 11.682 -2.760 1.00 0.00 N ATOM 690 CA SER A 44 8.081 10.315 -2.324 1.00 0.00 C ATOM 691 C SER A 44 8.983 9.548 -3.282 1.00 0.00 C ATOM 692 O SER A 44 8.894 9.744 -4.495 1.00 0.00 O ATOM 693 CB SER A 44 6.706 9.670 -2.195 1.00 0.00 C ATOM 694 OG SER A 44 5.943 9.894 -3.360 1.00 0.00 O ATOM 0 H SER A 44 7.165 11.763 -3.503 1.00 0.00 H new ATOM 0 HA SER A 44 8.605 10.298 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.815 8.599 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.186 10.079 -1.329 1.00 0.00 H new ATOM 0 HG SER A 44 5.064 9.472 -3.262 1.00 0.00 H new ATOM 700 N THR A 45 9.824 8.685 -2.725 1.00 0.00 N ATOM 701 CA THR A 45 10.496 7.632 -3.435 1.00 0.00 C ATOM 702 C THR A 45 10.139 6.324 -2.759 1.00 0.00 C ATOM 703 O THR A 45 9.632 6.304 -1.639 1.00 0.00 O ATOM 704 CB THR A 45 12.000 7.877 -3.425 1.00 0.00 C ATOM 705 OG1 THR A 45 12.505 7.952 -2.108 1.00 0.00 O ATOM 706 CG2 THR A 45 12.380 9.162 -4.167 1.00 0.00 C ATOM 0 H THR A 45 10.057 8.710 -1.732 1.00 0.00 H new ATOM 0 HA THR A 45 10.183 7.599 -4.479 1.00 0.00 H new ATOM 0 HB THR A 45 12.444 7.025 -3.939 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.108 8.721 -1.649 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.461 9.295 -4.134 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.055 9.092 -5.205 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.895 10.014 -3.691 1.00 0.00 H new ATOM 714 N LEU A 46 10.339 5.214 -3.458 1.00 0.00 N ATOM 715 CA LEU A 46 9.800 3.909 -3.088 1.00 0.00 C ATOM 716 C LEU A 46 10.242 3.470 -1.677 1.00 0.00 C ATOM 717 O LEU A 46 9.424 3.003 -0.886 1.00 0.00 O ATOM 718 CB LEU A 46 10.257 2.877 -4.141 1.00 0.00 C ATOM 719 CG LEU A 46 9.488 1.545 -4.094 1.00 0.00 C ATOM 720 CD1 LEU A 46 8.052 1.712 -4.602 1.00 0.00 C ATOM 721 CD2 LEU A 46 10.228 0.537 -4.965 1.00 0.00 C ATOM 0 H LEU A 46 10.891 5.194 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 46 8.712 3.977 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.145 3.313 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.319 2.676 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 46 9.435 1.199 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.536 0.753 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.528 2.437 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.070 2.065 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.700 -0.416 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.275 0.906 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.239 0.399 -4.583 1.00 0.00 H new ATOM 733 N ASP A 47 11.528 3.669 -1.368 1.00 0.00 N ATOM 734 CA ASP A 47 12.129 3.287 -0.112 1.00 0.00 C ATOM 735 C ASP A 47 11.569 4.196 0.967 1.00 0.00 C ATOM 736 O ASP A 47 10.965 3.714 1.906 1.00 0.00 O ATOM 737 CB ASP A 47 13.670 3.354 -0.187 1.00 0.00 C ATOM 738 CG ASP A 47 14.306 2.137 -0.850 1.00 0.00 C ATOM 739 OD1 ASP A 47 14.607 1.147 -0.138 1.00 0.00 O ATOM 740 OD2 ASP A 47 14.548 2.223 -2.077 1.00 0.00 O ATOM 0 H ASP A 47 12.185 4.112 -2.009 1.00 0.00 H new ATOM 0 HA ASP A 47 11.886 2.251 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.959 4.249 -0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.070 3.457 0.822 1.00 0.00 H new ATOM 745 N GLU A 48 11.718 5.514 0.828 1.00 0.00 N ATOM 746 CA GLU A 48 11.186 6.503 1.767 1.00 0.00 C ATOM 747 C GLU A 48 9.704 6.269 2.098 1.00 0.00 C ATOM 748 O GLU A 48 9.270 6.487 3.240 1.00 0.00 O ATOM 749 CB GLU A 48 11.369 7.903 1.196 1.00 0.00 C ATOM 750 CG GLU A 48 12.842 8.253 0.940 1.00 0.00 C ATOM 751 CD GLU A 48 12.997 9.667 0.442 1.00 0.00 C ATOM 752 OE1 GLU A 48 12.204 10.048 -0.447 1.00 0.00 O ATOM 753 OE2 GLU A 48 13.891 10.372 0.966 1.00 0.00 O ATOM 0 H GLU A 48 12.221 5.932 0.045 1.00 0.00 H new ATOM 0 HA GLU A 48 11.745 6.397 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.813 7.985 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.942 8.631 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.412 8.126 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.259 7.561 0.208 1.00 0.00 H new ATOM 760 N LEU A 49 8.926 5.870 1.085 1.00 0.00 N ATOM 761 CA LEU A 49 7.517 5.544 1.237 1.00 0.00 C ATOM 762 C LEU A 49 7.364 4.256 2.044 1.00 0.00 C ATOM 763 O LEU A 49 6.867 4.300 3.168 1.00 0.00 O ATOM 764 CB LEU A 49 6.873 5.489 -0.153 1.00 0.00 C ATOM 765 CG LEU A 49 5.395 5.077 -0.119 1.00 0.00 C ATOM 766 CD1 LEU A 49 4.550 6.005 0.761 1.00 0.00 C ATOM 767 CD2 LEU A 49 4.858 5.107 -1.554 1.00 0.00 C ATOM 0 H LEU A 49 9.268 5.766 0.130 1.00 0.00 H new ATOM 0 HA LEU A 49 6.991 6.312 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.960 6.467 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.426 4.785 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 49 5.326 4.078 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.513 5.671 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.929 5.982 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.607 7.023 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.807 4.817 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.957 6.114 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.427 4.411 -2.170 1.00 0.00 H new ATOM 779 N PHE A 50 7.801 3.119 1.492 1.00 0.00 N ATOM 780 CA PHE A 50 7.825 1.845 2.175 1.00 0.00 C ATOM 781 C PHE A 50 8.334 1.969 3.610 1.00 0.00 C ATOM 782 O PHE A 50 7.823 1.299 4.491 1.00 0.00 O ATOM 783 CB PHE A 50 8.714 0.891 1.380 1.00 0.00 C ATOM 784 CG PHE A 50 8.515 -0.562 1.733 1.00 0.00 C ATOM 785 CD1 PHE A 50 7.491 -1.287 1.090 1.00 0.00 C ATOM 786 CD2 PHE A 50 9.386 -1.220 2.616 1.00 0.00 C ATOM 787 CE1 PHE A 50 7.427 -2.680 1.237 1.00 0.00 C ATOM 788 CE2 PHE A 50 9.380 -2.632 2.699 1.00 0.00 C ATOM 789 CZ PHE A 50 8.472 -3.345 1.916 1.00 0.00 C ATOM 0 H PHE A 50 8.153 3.070 0.536 1.00 0.00 H new ATOM 0 HA PHE A 50 6.806 1.462 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.518 1.027 0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.758 1.157 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.759 -0.771 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.062 -0.647 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.592 -3.236 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.065 -3.148 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.569 -4.417 1.828 1.00 0.00 H new ATOM 799 N GLU A 51 9.318 2.823 3.880 1.00 0.00 N ATOM 800 CA GLU A 51 9.881 2.955 5.223 1.00 0.00 C ATOM 801 C GLU A 51 8.974 3.700 6.202 1.00 0.00 C ATOM 802 O GLU A 51 9.061 3.453 7.405 1.00 0.00 O ATOM 803 CB GLU A 51 11.237 3.666 5.151 1.00 0.00 C ATOM 804 CG GLU A 51 12.315 2.761 4.553 1.00 0.00 C ATOM 805 CD GLU A 51 13.566 3.523 4.159 1.00 0.00 C ATOM 806 OE1 GLU A 51 13.676 4.726 4.524 1.00 0.00 O ATOM 807 OE2 GLU A 51 14.425 2.880 3.524 1.00 0.00 O ATOM 0 H GLU A 51 9.744 3.436 3.185 1.00 0.00 H new ATOM 0 HA GLU A 51 9.992 1.940 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.144 4.569 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.538 3.980 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.577 1.989 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.912 2.253 3.676 1.00 0.00 H new ATOM 814 N GLU A 52 8.115 4.610 5.734 1.00 0.00 N ATOM 815 CA GLU A 52 7.050 5.104 6.605 1.00 0.00 C ATOM 816 C GLU A 52 6.174 3.917 6.994 1.00 0.00 C ATOM 817 O GLU A 52 5.742 3.797 8.144 1.00 0.00 O ATOM 818 CB GLU A 52 6.228 6.169 5.864 1.00 0.00 C ATOM 819 CG GLU A 52 5.020 6.652 6.686 1.00 0.00 C ATOM 820 CD GLU A 52 5.411 7.498 7.891 1.00 0.00 C ATOM 821 OE1 GLU A 52 6.502 8.113 7.862 1.00 0.00 O ATOM 822 OE2 GLU A 52 4.608 7.574 8.848 1.00 0.00 O ATOM 0 H GLU A 52 8.133 5.006 4.794 1.00 0.00 H new ATOM 0 HA GLU A 52 7.465 5.564 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.868 7.020 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.879 5.760 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.360 7.233 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.452 5.787 7.027 1.00 0.00 H new ATOM 829 N LEU A 53 5.888 3.101 5.978 1.00 0.00 N ATOM 830 CA LEU A 53 4.918 2.032 6.000 1.00 0.00 C ATOM 831 C LEU A 53 5.318 0.807 6.829 1.00 0.00 C ATOM 832 O LEU A 53 4.570 0.401 7.717 1.00 0.00 O ATOM 833 CB LEU A 53 4.615 1.628 4.543 1.00 0.00 C ATOM 834 CG LEU A 53 3.342 2.277 4.001 1.00 0.00 C ATOM 835 CD1 LEU A 53 3.344 2.229 2.468 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.161 1.468 4.549 1.00 0.00 C ATOM 0 H LEU A 53 6.357 3.182 5.076 1.00 0.00 H new ATOM 0 HA LEU A 53 4.032 2.418 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.458 1.908 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.518 0.544 4.484 1.00 0.00 H new ATOM 0 HG LEU A 53 3.274 3.321 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.434 2.693 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.212 2.768 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.388 1.192 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.227 1.897 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.241 0.434 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.175 1.497 5.639 1.00 0.00 H new ATOM 848 N ASP A 54 6.424 0.141 6.480 1.00 0.00 N ATOM 849 CA ASP A 54 6.728 -1.182 6.971 1.00 0.00 C ATOM 850 C ASP A 54 7.495 -0.991 8.274 1.00 0.00 C ATOM 851 O ASP A 54 8.595 -0.425 8.292 1.00 0.00 O ATOM 852 CB ASP A 54 7.544 -2.013 5.974 1.00 0.00 C ATOM 853 CG ASP A 54 7.624 -3.441 6.484 1.00 0.00 C ATOM 854 OD1 ASP A 54 8.030 -3.660 7.651 1.00 0.00 O ATOM 855 OD2 ASP A 54 7.201 -4.413 5.848 1.00 0.00 O ATOM 0 H ASP A 54 7.128 0.517 5.846 1.00 0.00 H new ATOM 0 HA ASP A 54 5.805 -1.741 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.077 -1.989 4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.544 -1.595 5.862 1.00 0.00 H new ATOM 860 N LYS A 55 6.920 -1.481 9.365 1.00 0.00 N ATOM 861 CA LYS A 55 7.526 -1.325 10.679 1.00 0.00 C ATOM 862 C LYS A 55 8.895 -2.011 10.831 1.00 0.00 C ATOM 863 O LYS A 55 9.556 -1.774 11.842 1.00 0.00 O ATOM 864 CB LYS A 55 6.534 -1.717 11.783 1.00 0.00 C ATOM 865 CG LYS A 55 5.429 -0.672 12.007 1.00 0.00 C ATOM 866 CD LYS A 55 5.882 0.765 12.342 1.00 0.00 C ATOM 867 CE LYS A 55 6.725 0.944 13.619 1.00 0.00 C ATOM 868 NZ LYS A 55 8.132 0.503 13.487 1.00 0.00 N ATOM 0 H LYS A 55 6.036 -1.989 9.365 1.00 0.00 H new ATOM 0 HA LYS A 55 7.753 -0.265 10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.075 -2.672 11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.079 -1.865 12.715 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.813 -0.632 11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.790 -1.023 12.817 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.457 1.146 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.993 1.390 12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.711 1.996 13.905 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.257 0.387 14.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.732 1.061 14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.205 -0.505 13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.449 0.643 12.506 1.00 0.00 H new ATOM 882 N ASN A 56 9.364 -2.807 9.860 1.00 0.00 N ATOM 883 CA ASN A 56 10.706 -3.384 9.891 1.00 0.00 C ATOM 884 C ASN A 56 11.362 -3.433 8.499 1.00 0.00 C ATOM 885 O ASN A 56 12.513 -3.014 8.350 1.00 0.00 O ATOM 886 CB ASN A 56 10.660 -4.714 10.656 1.00 0.00 C ATOM 887 CG ASN A 56 12.037 -5.341 10.864 1.00 0.00 C ATOM 888 OD1 ASN A 56 13.064 -4.720 10.590 1.00 0.00 O ATOM 889 ND2 ASN A 56 12.080 -6.573 11.358 1.00 0.00 N ATOM 0 H ASN A 56 8.822 -3.066 9.035 1.00 0.00 H new ATOM 0 HA ASN A 56 11.382 -2.732 10.444 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.193 -4.550 11.627 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.028 -5.416 10.112 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.979 -7.027 11.519 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.214 -7.065 11.577 1.00 0.00 H new ATOM 896 N GLY A 57 10.644 -3.872 7.467 1.00 0.00 N ATOM 897 CA GLY A 57 11.118 -3.922 6.091 1.00 0.00 C ATOM 898 C GLY A 57 11.929 -5.194 5.915 1.00 0.00 C ATOM 899 O GLY A 57 13.159 -5.168 5.976 1.00 0.00 O ATOM 0 H GLY A 57 9.688 -4.212 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.277 -3.909 5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.729 -3.047 5.867 1.00 0.00 H new ATOM 903 N ASP A 58 11.235 -6.331 5.813 1.00 0.00 N ATOM 904 CA ASP A 58 11.721 -7.505 6.535 1.00 0.00 C ATOM 905 C ASP A 58 11.039 -8.787 6.080 1.00 0.00 C ATOM 906 O ASP A 58 11.341 -9.869 6.575 1.00 0.00 O ATOM 907 CB ASP A 58 11.421 -7.302 8.033 1.00 0.00 C ATOM 908 CG ASP A 58 9.929 -7.227 8.363 1.00 0.00 C ATOM 909 OD1 ASP A 58 9.242 -6.298 7.848 1.00 0.00 O ATOM 910 OD2 ASP A 58 9.457 -8.044 9.173 1.00 0.00 O ATOM 0 H ASP A 58 10.382 -6.461 5.269 1.00 0.00 H new ATOM 0 HA ASP A 58 12.788 -7.606 6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.867 -8.121 8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.904 -6.384 8.369 1.00 0.00 H new ATOM 915 N GLY A 59 10.041 -8.664 5.215 1.00 0.00 N ATOM 916 CA GLY A 59 8.808 -9.366 5.481 1.00 0.00 C ATOM 917 C GLY A 59 7.784 -8.265 5.363 1.00 0.00 C ATOM 918 O GLY A 59 7.441 -7.579 6.323 1.00 0.00 O ATOM 0 H GLY A 59 10.062 -8.108 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.631 -10.166 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.804 -9.822 6.471 1.00 0.00 H new ATOM 922 N GLU A 60 7.403 -8.021 4.126 1.00 0.00 N ATOM 923 CA GLU A 60 7.031 -6.717 3.650 1.00 0.00 C ATOM 924 C GLU A 60 5.606 -6.376 4.121 1.00 0.00 C ATOM 925 O GLU A 60 5.129 -6.949 5.111 1.00 0.00 O ATOM 926 CB GLU A 60 7.254 -6.725 2.136 1.00 0.00 C ATOM 927 CG GLU A 60 8.741 -6.966 1.737 1.00 0.00 C ATOM 928 CD GLU A 60 9.205 -8.412 1.658 1.00 0.00 C ATOM 929 OE1 GLU A 60 8.340 -9.297 1.840 1.00 0.00 O ATOM 930 OE2 GLU A 60 10.419 -8.642 1.440 1.00 0.00 O ATOM 0 H GLU A 60 7.344 -8.746 3.411 1.00 0.00 H new ATOM 0 HA GLU A 60 7.639 -5.911 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.634 -7.501 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.923 -5.773 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.912 -6.501 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.374 -6.445 2.455 1.00 0.00 H new ATOM 937 N VAL A 61 4.956 -5.384 3.509 1.00 0.00 N ATOM 938 CA VAL A 61 3.812 -4.737 4.137 1.00 0.00 C ATOM 939 C VAL A 61 2.664 -5.739 4.074 1.00 0.00 C ATOM 940 O VAL A 61 2.651 -6.594 3.199 1.00 0.00 O ATOM 941 CB VAL A 61 3.497 -3.399 3.428 1.00 0.00 C ATOM 942 CG1 VAL A 61 2.187 -2.761 3.903 1.00 0.00 C ATOM 943 CG2 VAL A 61 4.640 -2.406 3.655 1.00 0.00 C ATOM 0 H VAL A 61 5.202 -5.017 2.589 1.00 0.00 H new ATOM 0 HA VAL A 61 4.003 -4.473 5.177 1.00 0.00 H new ATOM 0 HB VAL A 61 3.387 -3.630 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.023 -1.826 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.359 -3.442 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.246 -2.561 4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.411 -1.466 3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.759 -2.227 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.565 -2.817 3.251 1.00 0.00 H new ATOM 953 N SER A 62 1.675 -5.638 4.952 1.00 0.00 N ATOM 954 CA SER A 62 0.384 -6.262 4.729 1.00 0.00 C ATOM 955 C SER A 62 -0.650 -5.233 5.161 1.00 0.00 C ATOM 956 O SER A 62 -0.256 -4.181 5.673 1.00 0.00 O ATOM 957 CB SER A 62 0.271 -7.609 5.443 1.00 0.00 C ATOM 958 OG SER A 62 0.451 -7.444 6.832 1.00 0.00 O ATOM 0 H SER A 62 1.747 -5.125 5.831 1.00 0.00 H new ATOM 0 HA SER A 62 0.227 -6.523 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.705 -8.052 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.019 -8.299 5.052 1.00 0.00 H new ATOM 0 HG SER A 62 0.375 -8.314 7.277 1.00 0.00 H new ATOM 964 N PHE A 63 -1.940 -5.520 4.964 1.00 0.00 N ATOM 965 CA PHE A 63 -3.032 -4.628 5.343 1.00 0.00 C ATOM 966 C PHE A 63 -2.773 -3.960 6.698 1.00 0.00 C ATOM 967 O PHE A 63 -2.917 -2.743 6.825 1.00 0.00 O ATOM 968 CB PHE A 63 -4.353 -5.386 5.313 1.00 0.00 C ATOM 969 CG PHE A 63 -5.548 -4.553 5.737 1.00 0.00 C ATOM 970 CD1 PHE A 63 -5.879 -4.411 7.102 1.00 0.00 C ATOM 971 CD2 PHE A 63 -6.200 -3.760 4.782 1.00 0.00 C ATOM 972 CE1 PHE A 63 -6.898 -3.526 7.483 1.00 0.00 C ATOM 973 CE2 PHE A 63 -7.322 -2.991 5.152 1.00 0.00 C ATOM 974 CZ PHE A 63 -7.700 -2.913 6.498 1.00 0.00 C ATOM 0 H PHE A 63 -2.256 -6.388 4.532 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.092 -3.819 4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.523 -5.761 4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.277 -6.255 5.967 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.349 -4.982 7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.843 -3.738 3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.068 -3.314 8.528 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.889 -2.463 4.399 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.600 -2.387 6.780 1.00 0.00 H new ATOM 984 N GLU A 64 -2.326 -4.770 7.665 1.00 0.00 N ATOM 985 CA GLU A 64 -1.796 -4.377 8.963 1.00 0.00 C ATOM 986 C GLU A 64 -1.035 -3.049 8.912 1.00 0.00 C ATOM 987 O GLU A 64 -1.460 -2.059 9.506 1.00 0.00 O ATOM 988 CB GLU A 64 -0.882 -5.521 9.446 1.00 0.00 C ATOM 989 CG GLU A 64 -0.132 -5.268 10.763 1.00 0.00 C ATOM 990 CD GLU A 64 -1.000 -5.241 12.008 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.241 -5.167 11.892 1.00 0.00 O ATOM 992 OE2 GLU A 64 -0.382 -5.333 13.101 1.00 0.00 O ATOM 0 H GLU A 64 -2.328 -5.783 7.547 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.620 -4.213 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.487 -6.420 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.149 -5.729 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.626 -6.042 10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.394 -4.316 10.686 1.00 0.00 H new ATOM 999 N GLU A 65 0.117 -3.046 8.238 1.00 0.00 N ATOM 1000 CA GLU A 65 1.015 -1.900 8.211 1.00 0.00 C ATOM 1001 C GLU A 65 0.479 -0.899 7.186 1.00 0.00 C ATOM 1002 O GLU A 65 0.604 0.308 7.365 1.00 0.00 O ATOM 1003 CB GLU A 65 2.505 -2.288 8.014 1.00 0.00 C ATOM 1004 CG GLU A 65 2.817 -3.800 8.008 1.00 0.00 C ATOM 1005 CD GLU A 65 4.186 -4.169 8.578 1.00 0.00 C ATOM 1006 OE1 GLU A 65 4.407 -3.909 9.783 1.00 0.00 O ATOM 1007 OE2 GLU A 65 5.005 -4.792 7.861 1.00 0.00 O ATOM 0 H GLU A 65 0.450 -3.843 7.695 1.00 0.00 H new ATOM 0 HA GLU A 65 1.024 -1.419 9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.849 -1.863 7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.089 -1.820 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.048 -4.319 8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.754 -4.167 6.983 1.00 0.00 H new ATOM 1014 N PHE A 66 -0.201 -1.397 6.146 1.00 0.00 N ATOM 1015 CA PHE A 66 -0.862 -0.550 5.154 1.00 0.00 C ATOM 1016 C PHE A 66 -1.796 0.491 5.786 1.00 0.00 C ATOM 1017 O PHE A 66 -1.961 1.581 5.234 1.00 0.00 O ATOM 1018 CB PHE A 66 -1.601 -1.415 4.134 1.00 0.00 C ATOM 1019 CG PHE A 66 -2.201 -0.654 2.975 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -1.424 -0.376 1.837 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -3.528 -0.192 3.053 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -1.985 0.336 0.763 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -4.061 0.580 2.004 1.00 0.00 C ATOM 1024 CZ PHE A 66 -3.299 0.824 0.849 1.00 0.00 C ATOM 0 H PHE A 66 -0.307 -2.396 5.971 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.085 0.017 4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.909 -2.161 3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.397 -1.956 4.646 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.398 -0.709 1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.135 -0.429 3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.404 0.508 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.058 0.986 2.087 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.723 1.385 0.029 1.00 0.00 H new ATOM 1034 N GLN A 67 -2.393 0.203 6.951 1.00 0.00 N ATOM 1035 CA GLN A 67 -3.203 1.198 7.656 1.00 0.00 C ATOM 1036 C GLN A 67 -2.441 2.521 7.876 1.00 0.00 C ATOM 1037 O GLN A 67 -3.046 3.594 7.872 1.00 0.00 O ATOM 1038 CB GLN A 67 -3.820 0.638 8.953 1.00 0.00 C ATOM 1039 CG GLN A 67 -4.506 -0.718 8.810 1.00 0.00 C ATOM 1040 CD GLN A 67 -5.569 -0.693 7.726 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.725 -0.364 7.994 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -5.186 -1.077 6.515 1.00 0.00 N ATOM 0 H GLN A 67 -2.330 -0.701 7.418 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.043 1.438 7.004 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.034 0.553 9.704 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.546 1.357 9.332 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.763 -1.480 8.575 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.960 -0.999 9.760 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.215 -1.339 6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.863 -1.110 5.753 1.00 0.00 H new ATOM 1051 N VAL A 68 -1.112 2.470 8.007 1.00 0.00 N ATOM 1052 CA VAL A 68 -0.288 3.673 8.038 1.00 0.00 C ATOM 1053 C VAL A 68 -0.503 4.500 6.764 1.00 0.00 C ATOM 1054 O VAL A 68 -0.641 5.719 6.836 1.00 0.00 O ATOM 1055 CB VAL A 68 1.192 3.310 8.252 1.00 0.00 C ATOM 1056 CG1 VAL A 68 2.082 4.558 8.218 1.00 0.00 C ATOM 1057 CG2 VAL A 68 1.395 2.602 9.599 1.00 0.00 C ATOM 0 H VAL A 68 -0.585 1.601 8.093 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.592 4.291 8.883 1.00 0.00 H new ATOM 0 HB VAL A 68 1.475 2.642 7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.121 4.268 8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.982 5.050 7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.776 5.245 9.007 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.449 2.356 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.076 3.260 10.407 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.804 1.686 9.622 1.00 0.00 H new ATOM 1067 N LEU A 69 -0.563 3.873 5.584 1.00 0.00 N ATOM 1068 CA LEU A 69 -0.868 4.631 4.379 1.00 0.00 C ATOM 1069 C LEU A 69 -2.322 5.092 4.382 1.00 0.00 C ATOM 1070 O LEU A 69 -2.585 6.227 3.991 1.00 0.00 O ATOM 1071 CB LEU A 69 -0.502 3.881 3.102 1.00 0.00 C ATOM 1072 CG LEU A 69 -0.701 4.805 1.886 1.00 0.00 C ATOM 1073 CD1 LEU A 69 0.587 4.910 1.076 1.00 0.00 C ATOM 1074 CD2 LEU A 69 -1.877 4.327 1.035 1.00 0.00 C ATOM 0 H LEU A 69 -0.409 2.874 5.444 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.237 5.520 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.534 3.544 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.122 2.991 3.000 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.943 5.807 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.427 5.567 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.379 5.318 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.877 3.920 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.002 4.992 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.682 3.315 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.787 4.333 1.635 1.00 0.00 H new ATOM 1086 N VAL A 70 -3.266 4.263 4.843 1.00 0.00 N ATOM 1087 CA VAL A 70 -4.650 4.720 5.004 1.00 0.00 C ATOM 1088 C VAL A 70 -4.706 6.026 5.809 1.00 0.00 C ATOM 1089 O VAL A 70 -5.540 6.887 5.526 1.00 0.00 O ATOM 1090 CB VAL A 70 -5.564 3.638 5.606 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -7.005 4.157 5.701 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -5.558 2.374 4.739 1.00 0.00 C ATOM 0 H VAL A 70 -3.102 3.291 5.106 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.038 4.923 4.006 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.185 3.398 6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.643 3.383 6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.032 5.042 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.365 4.415 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.211 1.624 5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.915 2.617 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.543 1.981 4.676 1.00 0.00 H new ATOM 1102 N LYS A 71 -3.808 6.215 6.780 1.00 0.00 N ATOM 1103 CA LYS A 71 -3.617 7.525 7.370 1.00 0.00 C ATOM 1104 C LYS A 71 -2.928 8.470 6.369 1.00 0.00 C ATOM 1105 O LYS A 71 -3.447 9.552 6.097 1.00 0.00 O ATOM 1106 CB LYS A 71 -2.833 7.381 8.676 1.00 0.00 C ATOM 1107 CG LYS A 71 -2.753 8.708 9.431 1.00 0.00 C ATOM 1108 CD LYS A 71 -1.491 8.730 10.290 1.00 0.00 C ATOM 1109 CE LYS A 71 -1.512 7.687 11.418 1.00 0.00 C ATOM 1110 NZ LYS A 71 -0.382 7.915 12.335 1.00 0.00 N ATOM 0 H LYS A 71 -3.213 5.482 7.165 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.582 7.973 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.310 6.631 9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.826 7.023 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.740 9.539 8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.635 8.835 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.623 8.552 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.371 9.723 10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.453 7.749 11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.453 6.683 10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.403 7.206 13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.512 7.834 11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.456 8.867 12.748 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.745 8.119 5.840 1.00 0.00 N ATOM 1125 CA LYS A 72 -0.894 9.096 5.165 1.00 0.00 C ATOM 1126 C LYS A 72 -1.472 9.647 3.873 1.00 0.00 C ATOM 1127 O LYS A 72 -1.123 10.753 3.475 1.00 0.00 O ATOM 1128 CB LYS A 72 0.565 8.641 5.076 1.00 0.00 C ATOM 1129 CG LYS A 72 1.455 9.339 4.031 1.00 0.00 C ATOM 1130 CD LYS A 72 2.958 9.206 4.343 1.00 0.00 C ATOM 1131 CE LYS A 72 3.761 10.168 3.445 1.00 0.00 C ATOM 1132 NZ LYS A 72 5.212 10.242 3.746 1.00 0.00 N ATOM 0 H LYS A 72 -1.364 7.173 5.869 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.879 9.972 5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.022 8.778 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.574 7.571 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.254 8.915 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.191 10.395 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.143 9.433 5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.285 8.179 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.636 9.861 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.335 11.167 3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.668 10.911 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.347 10.566 4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.639 9.301 3.630 1.00 0.00 H new ATOM 1146 N ILE A 73 -2.452 8.971 3.290 1.00 0.00 N ATOM 1147 CA ILE A 73 -3.179 9.544 2.156 1.00 0.00 C ATOM 1148 C ILE A 73 -3.798 10.899 2.560 1.00 0.00 C ATOM 1149 O ILE A 73 -3.874 11.817 1.740 1.00 0.00 O ATOM 1150 CB ILE A 73 -4.253 8.578 1.621 1.00 0.00 C ATOM 1151 CG1 ILE A 73 -5.146 8.043 2.745 1.00 0.00 C ATOM 1152 CG2 ILE A 73 -3.623 7.396 0.867 1.00 0.00 C ATOM 1153 CD1 ILE A 73 -6.570 7.783 2.262 1.00 0.00 C ATOM 0 H ILE A 73 -2.761 8.041 3.574 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.470 9.710 1.344 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.867 9.154 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.721 7.119 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.166 8.760 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.410 6.735 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.045 7.770 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.967 6.843 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.171 7.405 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.004 8.712 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.553 7.046 1.459 1.00 0.00 H new ATOM 1165 N SER A 74 -4.167 11.048 3.839 1.00 0.00 N ATOM 1166 CA SER A 74 -4.668 12.289 4.421 1.00 0.00 C ATOM 1167 C SER A 74 -3.589 13.117 5.129 1.00 0.00 C ATOM 1168 O SER A 74 -3.933 14.162 5.682 1.00 0.00 O ATOM 1169 CB SER A 74 -5.781 11.957 5.425 1.00 0.00 C ATOM 1170 OG SER A 74 -6.986 11.637 4.758 1.00 0.00 O ATOM 0 H SER A 74 -4.122 10.283 4.512 1.00 0.00 H new ATOM 0 HA SER A 74 -5.039 12.896 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.474 11.119 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.943 12.807 6.088 1.00 0.00 H new ATOM 0 HG SER A 74 -7.680 11.428 5.418 1.00 0.00 H new ATOM 1176 N GLN A 75 -2.324 12.675 5.153 1.00 0.00 N ATOM 1177 CA GLN A 75 -1.261 13.239 5.993 1.00 0.00 C ATOM 1178 C GLN A 75 -1.321 14.767 6.105 1.00 0.00 C ATOM 1179 O GLN A 75 -1.272 15.320 7.208 1.00 0.00 O ATOM 1180 CB GLN A 75 0.140 12.759 5.559 1.00 0.00 C ATOM 1181 CG GLN A 75 0.704 13.330 4.240 1.00 0.00 C ATOM 1182 CD GLN A 75 -0.297 14.025 3.321 1.00 0.00 C ATOM 1183 OE1 GLN A 75 -0.368 15.250 3.324 1.00 0.00 O ATOM 1184 NE2 GLN A 75 -1.028 13.293 2.493 1.00 0.00 N ATOM 0 H GLN A 75 -2.005 11.897 4.575 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.446 12.852 6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.842 12.998 6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.113 11.673 5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.494 14.040 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.169 12.515 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.952 12.276 2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.667 13.747 1.840 1.00 0.00 H new TER 1193 GLN A 75 HETATM 1194 CA CA A 76 3.041 -9.956 -2.705 1.00 0.00 CA HETATM 1195 CA CA A 77 7.054 -5.731 7.760 1.00 0.00 CA