USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.4) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0472) USER MOD Single : A 27 GLN : amide:sc= -0.219 K(o=-0.22,f=-3.7!) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00414) USER MOD Single : A 33 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.91) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 178:sc= -0.412 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 57 GLN : amide:sc= -1.92 K(o=-1.9,f=-0.65) USER MOD Single : A 60 LYS NZ :NH3+ -148:sc= -0.111 (180deg=-1.02) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -2.14! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -6.124 20.253 6.647 1.00 0.00 N ATOM 120 CA SER A 12 -6.445 19.979 5.251 1.00 0.00 C ATOM 121 C SER A 12 -7.185 18.652 5.114 1.00 0.00 C ATOM 122 O SER A 12 -7.025 17.737 5.922 1.00 0.00 O ATOM 123 CB SER A 12 -5.170 19.955 4.407 1.00 0.00 C ATOM 124 OG SER A 12 -4.800 21.263 4.005 1.00 0.00 O ATOM 0 HA SER A 12 -7.095 20.776 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.359 19.504 4.980 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.324 19.331 3.527 1.00 0.00 H new ATOM 0 HG SER A 12 -3.981 21.221 3.468 1.00 0.00 H new ATOM 130 N PRO A 13 -8.015 18.543 4.066 1.00 0.00 N ATOM 131 CA PRO A 13 -8.795 17.332 3.797 1.00 0.00 C ATOM 132 C PRO A 13 -7.921 16.166 3.350 1.00 0.00 C ATOM 133 O PRO A 13 -8.256 15.004 3.576 1.00 0.00 O ATOM 134 CB PRO A 13 -9.735 17.760 2.666 1.00 0.00 C ATOM 135 CG PRO A 13 -9.025 18.880 1.987 1.00 0.00 C ATOM 136 CD PRO A 13 -8.254 19.594 3.063 1.00 0.00 C ATOM 0 HA PRO A 13 -9.312 16.974 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.926 16.937 1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.701 18.081 3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.357 18.505 1.211 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.732 19.553 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.319 20.006 2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.822 20.426 3.480 1.00 0.00 H new ATOM 144 N ASN A 14 -6.797 16.484 2.714 1.00 0.00 N ATOM 145 CA ASN A 14 -5.874 15.462 2.236 1.00 0.00 C ATOM 146 C ASN A 14 -5.040 14.901 3.384 1.00 0.00 C ATOM 147 O ASN A 14 -4.669 13.727 3.380 1.00 0.00 O ATOM 148 CB ASN A 14 -4.955 16.039 1.157 1.00 0.00 C ATOM 149 CG ASN A 14 -5.711 16.868 0.137 1.00 0.00 C ATOM 150 OD1 ASN A 14 -5.917 18.067 0.325 1.00 0.00 O ATOM 151 ND2 ASN A 14 -6.128 16.231 -0.951 1.00 0.00 N ATOM 0 H ASN A 14 -6.504 17.441 2.518 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.461 14.650 1.807 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.190 16.656 1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.439 15.224 0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.642 16.737 -1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.935 15.236 -1.065 1.00 0.00 H new ATOM 158 N LEU A 15 -4.749 15.749 4.365 1.00 0.00 N ATOM 159 CA LEU A 15 -3.960 15.339 5.521 1.00 0.00 C ATOM 160 C LEU A 15 -4.809 14.541 6.506 1.00 0.00 C ATOM 161 O LEU A 15 -4.397 13.483 6.979 1.00 0.00 O ATOM 162 CB LEU A 15 -3.366 16.564 6.218 1.00 0.00 C ATOM 163 CG LEU A 15 -2.649 16.301 7.543 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.425 15.426 7.323 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.257 17.613 8.207 1.00 0.00 C ATOM 0 H LEU A 15 -5.048 16.724 4.383 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.150 14.700 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.662 17.040 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.168 17.279 6.398 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.334 15.772 8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.928 15.250 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.732 14.473 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.737 15.927 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.748 17.406 9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.590 18.169 7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.152 18.204 8.401 1.00 0.00 H new ATOM 177 N GLN A 16 -5.997 15.056 6.807 1.00 0.00 N ATOM 178 CA GLN A 16 -6.904 14.391 7.734 1.00 0.00 C ATOM 179 C GLN A 16 -7.121 12.935 7.333 1.00 0.00 C ATOM 180 O GLN A 16 -7.141 12.043 8.181 1.00 0.00 O ATOM 181 CB GLN A 16 -8.246 15.124 7.783 1.00 0.00 C ATOM 182 CG GLN A 16 -9.209 14.564 8.817 1.00 0.00 C ATOM 183 CD GLN A 16 -8.927 15.077 10.215 1.00 0.00 C ATOM 184 OE1 GLN A 16 -9.319 16.190 10.571 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.246 14.268 11.018 1.00 0.00 N ATOM 0 H GLN A 16 -6.353 15.931 6.422 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.450 14.413 8.725 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.067 16.177 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.713 15.075 6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.229 14.826 8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.147 13.476 8.814 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.941 13.355 10.682 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.028 14.560 11.971 1.00 0.00 H new ATOM 194 N LYS A 17 -7.285 12.703 6.035 1.00 0.00 N ATOM 195 CA LYS A 17 -7.500 11.356 5.520 1.00 0.00 C ATOM 196 C LYS A 17 -6.310 10.455 5.838 1.00 0.00 C ATOM 197 O LYS A 17 -6.481 9.315 6.267 1.00 0.00 O ATOM 198 CB LYS A 17 -7.732 11.397 4.008 1.00 0.00 C ATOM 199 CG LYS A 17 -7.872 10.023 3.377 1.00 0.00 C ATOM 200 CD LYS A 17 -8.719 10.072 2.116 1.00 0.00 C ATOM 201 CE LYS A 17 -9.455 8.761 1.887 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.742 8.965 1.167 1.00 0.00 N ATOM 0 H LYS A 17 -7.273 13.431 5.320 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.385 10.945 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.633 11.975 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.902 11.922 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.884 9.629 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.324 9.337 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.440 10.886 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.083 10.288 1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.821 8.084 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.648 8.281 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.213 8.048 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.357 9.590 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.556 9.400 0.241 1.00 0.00 H new ATOM 216 N ALA A 18 -5.106 10.976 5.626 1.00 0.00 N ATOM 217 CA ALA A 18 -3.889 10.220 5.893 1.00 0.00 C ATOM 218 C ALA A 18 -3.836 9.761 7.346 1.00 0.00 C ATOM 219 O ALA A 18 -3.466 8.623 7.634 1.00 0.00 O ATOM 220 CB ALA A 18 -2.663 11.057 5.557 1.00 0.00 C ATOM 0 H ALA A 18 -4.948 11.919 5.270 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.895 9.333 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.761 10.480 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.687 11.331 4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.661 11.961 6.167 1.00 0.00 H new ATOM 226 N ILE A 19 -4.207 10.654 8.258 1.00 0.00 N ATOM 227 CA ILE A 19 -4.201 10.340 9.681 1.00 0.00 C ATOM 228 C ILE A 19 -5.151 9.188 9.993 1.00 0.00 C ATOM 229 O ILE A 19 -4.740 8.159 10.528 1.00 0.00 O ATOM 230 CB ILE A 19 -4.599 11.562 10.529 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.596 12.700 10.325 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.684 11.182 12.000 1.00 0.00 C ATOM 233 CD1 ILE A 19 -4.133 14.057 10.723 1.00 0.00 C ATOM 0 H ILE A 19 -4.515 11.601 8.036 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.182 10.048 9.936 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.582 11.905 10.205 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.697 12.490 10.905 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.300 12.729 9.276 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.966 12.057 12.586 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.432 10.400 12.131 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.714 10.816 12.338 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.369 14.815 10.552 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.015 14.289 10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.403 14.046 11.779 1.00 0.00 H new ATOM 245 N ASP A 20 -6.423 9.369 9.654 1.00 0.00 N ATOM 246 CA ASP A 20 -7.431 8.343 9.895 1.00 0.00 C ATOM 247 C ASP A 20 -6.962 6.987 9.378 1.00 0.00 C ATOM 248 O ASP A 20 -7.059 5.977 10.076 1.00 0.00 O ATOM 249 CB ASP A 20 -8.751 8.729 9.226 1.00 0.00 C ATOM 250 CG ASP A 20 -9.944 8.039 9.858 1.00 0.00 C ATOM 251 OD1 ASP A 20 -10.177 8.245 11.068 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.646 7.294 9.143 1.00 0.00 O ATOM 0 H ASP A 20 -6.780 10.216 9.212 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.586 8.267 10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.884 9.809 9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.706 8.474 8.167 1.00 0.00 H new ATOM 257 N LEU A 21 -6.454 6.971 8.150 1.00 0.00 N ATOM 258 CA LEU A 21 -5.970 5.739 7.538 1.00 0.00 C ATOM 259 C LEU A 21 -4.885 5.095 8.395 1.00 0.00 C ATOM 260 O LEU A 21 -5.029 3.959 8.847 1.00 0.00 O ATOM 261 CB LEU A 21 -5.429 6.021 6.136 1.00 0.00 C ATOM 262 CG LEU A 21 -6.475 6.301 5.056 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.823 6.920 3.830 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.212 5.024 4.684 1.00 0.00 C ATOM 0 H LEU A 21 -6.367 7.798 7.559 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.808 5.046 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.757 6.877 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.830 5.166 5.821 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.200 7.011 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.582 7.112 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.342 7.858 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.076 6.234 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.952 5.242 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.500 4.290 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.712 4.623 5.565 1.00 0.00 H new ATOM 276 N ALA A 22 -3.799 5.829 8.616 1.00 0.00 N ATOM 277 CA ALA A 22 -2.692 5.332 9.422 1.00 0.00 C ATOM 278 C ALA A 22 -3.188 4.766 10.748 1.00 0.00 C ATOM 279 O ALA A 22 -2.714 3.727 11.207 1.00 0.00 O ATOM 280 CB ALA A 22 -1.677 6.439 9.666 1.00 0.00 C ATOM 0 H ALA A 22 -3.663 6.770 8.248 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.208 4.526 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.856 6.053 10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.290 6.795 8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.158 7.264 10.192 1.00 0.00 H new ATOM 286 N SER A 23 -4.145 5.457 11.360 1.00 0.00 N ATOM 287 CA SER A 23 -4.703 5.025 12.636 1.00 0.00 C ATOM 288 C SER A 23 -5.465 3.712 12.480 1.00 0.00 C ATOM 289 O SER A 23 -5.367 2.820 13.322 1.00 0.00 O ATOM 290 CB SER A 23 -5.631 6.102 13.202 1.00 0.00 C ATOM 291 OG SER A 23 -5.765 5.973 14.607 1.00 0.00 O ATOM 0 H SER A 23 -4.550 6.318 10.993 1.00 0.00 H new ATOM 0 HA SER A 23 -3.877 4.865 13.330 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.237 7.089 12.960 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.611 6.026 12.732 1.00 0.00 H new ATOM 0 HG SER A 23 -6.361 6.674 14.944 1.00 0.00 H new ATOM 297 N LYS A 24 -6.224 3.602 11.395 1.00 0.00 N ATOM 298 CA LYS A 24 -7.003 2.399 11.125 1.00 0.00 C ATOM 299 C LYS A 24 -6.091 1.191 10.936 1.00 0.00 C ATOM 300 O LYS A 24 -6.335 0.124 11.498 1.00 0.00 O ATOM 301 CB LYS A 24 -7.869 2.597 9.879 1.00 0.00 C ATOM 302 CG LYS A 24 -9.111 1.723 9.857 1.00 0.00 C ATOM 303 CD LYS A 24 -10.118 2.211 8.829 1.00 0.00 C ATOM 304 CE LYS A 24 -11.280 1.240 8.682 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.065 1.120 9.942 1.00 0.00 N ATOM 0 H LYS A 24 -6.316 4.331 10.688 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.648 2.214 11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.170 3.643 9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.270 2.385 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.829 0.694 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.571 1.718 10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.496 3.190 9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.624 2.337 7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.934 1.575 7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.900 0.259 8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.905 0.530 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.476 0.681 10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.364 2.065 10.256 1.00 0.00 H new ATOM 319 N ALA A 25 -5.039 1.368 10.144 1.00 0.00 N ATOM 320 CA ALA A 25 -4.088 0.293 9.885 1.00 0.00 C ATOM 321 C ALA A 25 -3.755 -0.465 11.165 1.00 0.00 C ATOM 322 O ALA A 25 -3.885 -1.688 11.224 1.00 0.00 O ATOM 323 CB ALA A 25 -2.821 0.851 9.254 1.00 0.00 C ATOM 0 H ALA A 25 -4.823 2.245 9.670 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.549 -0.408 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.120 0.038 9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.069 1.341 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.365 1.574 9.931 1.00 0.00 H new ATOM 329 N ALA A 26 -3.325 0.267 12.186 1.00 0.00 N ATOM 330 CA ALA A 26 -2.974 -0.337 13.466 1.00 0.00 C ATOM 331 C ALA A 26 -4.161 -1.087 14.062 1.00 0.00 C ATOM 332 O ALA A 26 -4.043 -2.251 14.442 1.00 0.00 O ATOM 333 CB ALA A 26 -2.479 0.727 14.434 1.00 0.00 C ATOM 0 H ALA A 26 -3.211 1.280 12.152 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.173 -1.056 13.294 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.221 0.262 15.385 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.598 1.216 14.018 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.263 1.467 14.593 1.00 0.00 H new ATOM 339 N GLN A 27 -5.303 -0.411 14.142 1.00 0.00 N ATOM 340 CA GLN A 27 -6.510 -1.014 14.694 1.00 0.00 C ATOM 341 C GLN A 27 -6.724 -2.416 14.131 1.00 0.00 C ATOM 342 O GLN A 27 -7.047 -3.347 14.868 1.00 0.00 O ATOM 343 CB GLN A 27 -7.727 -0.139 14.391 1.00 0.00 C ATOM 344 CG GLN A 27 -7.606 1.278 14.930 1.00 0.00 C ATOM 345 CD GLN A 27 -7.903 1.366 16.414 1.00 0.00 C ATOM 346 OE1 GLN A 27 -7.652 0.423 17.166 1.00 0.00 O ATOM 347 NE2 GLN A 27 -8.441 2.501 16.844 1.00 0.00 N ATOM 0 H GLN A 27 -5.417 0.554 13.832 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.387 -1.091 15.774 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.875 -0.097 13.312 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.615 -0.606 14.816 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.598 1.649 14.743 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.291 1.929 14.387 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.632 3.256 16.186 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.663 2.618 17.833 1.00 0.00 H new ATOM 356 N GLU A 28 -6.543 -2.557 12.822 1.00 0.00 N ATOM 357 CA GLU A 28 -6.718 -3.845 12.162 1.00 0.00 C ATOM 358 C GLU A 28 -5.688 -4.855 12.658 1.00 0.00 C ATOM 359 O GLU A 28 -6.040 -5.930 13.143 1.00 0.00 O ATOM 360 CB GLU A 28 -6.602 -3.685 10.644 1.00 0.00 C ATOM 361 CG GLU A 28 -7.733 -2.879 10.029 1.00 0.00 C ATOM 362 CD GLU A 28 -9.063 -3.606 10.080 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.253 -4.553 9.288 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.913 -3.229 10.913 1.00 0.00 O ATOM 0 H GLU A 28 -6.275 -1.796 12.198 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.713 -4.217 12.406 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.654 -3.202 10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.579 -4.673 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.823 -1.928 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.488 -2.649 8.992 1.00 0.00 H new ATOM 371 N ASP A 29 -4.413 -4.502 12.532 1.00 0.00 N ATOM 372 CA ASP A 29 -3.331 -5.376 12.968 1.00 0.00 C ATOM 373 C ASP A 29 -3.667 -6.035 14.302 1.00 0.00 C ATOM 374 O ASP A 29 -3.678 -7.260 14.417 1.00 0.00 O ATOM 375 CB ASP A 29 -2.026 -4.587 13.089 1.00 0.00 C ATOM 376 CG ASP A 29 -0.877 -5.442 13.586 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.956 -5.935 14.730 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.103 -5.616 12.831 1.00 0.00 O ATOM 0 H ASP A 29 -4.104 -3.616 12.131 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.206 -6.158 12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.768 -4.166 12.117 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.173 -3.749 13.771 1.00 0.00 H new ATOM 383 N LYS A 30 -3.942 -5.212 15.309 1.00 0.00 N ATOM 384 CA LYS A 30 -4.279 -5.713 16.636 1.00 0.00 C ATOM 385 C LYS A 30 -5.477 -6.655 16.574 1.00 0.00 C ATOM 386 O LYS A 30 -5.464 -7.731 17.171 1.00 0.00 O ATOM 387 CB LYS A 30 -4.582 -4.548 17.581 1.00 0.00 C ATOM 388 CG LYS A 30 -4.321 -4.867 19.043 1.00 0.00 C ATOM 389 CD LYS A 30 -4.539 -3.651 19.927 1.00 0.00 C ATOM 390 CE LYS A 30 -6.020 -3.359 20.119 1.00 0.00 C ATOM 391 NZ LYS A 30 -6.644 -4.281 21.106 1.00 0.00 N ATOM 0 H LYS A 30 -3.938 -4.195 15.231 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.422 -6.268 17.016 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.976 -3.689 17.291 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.626 -4.257 17.462 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.980 -5.674 19.364 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.298 -5.225 19.161 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.071 -3.817 20.897 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.051 -2.784 19.482 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.147 -2.329 20.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.535 -3.449 19.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.645 -4.028 21.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.576 -5.259 20.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.148 -4.202 22.017 1.00 0.00 H new ATOM 405 N ALA A 31 -6.510 -6.244 15.846 1.00 0.00 N ATOM 406 CA ALA A 31 -7.714 -7.054 15.703 1.00 0.00 C ATOM 407 C ALA A 31 -7.396 -8.403 15.068 1.00 0.00 C ATOM 408 O ALA A 31 -8.063 -9.400 15.339 1.00 0.00 O ATOM 409 CB ALA A 31 -8.754 -6.311 14.878 1.00 0.00 C ATOM 0 H ALA A 31 -6.538 -5.355 15.346 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.119 -7.238 16.698 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.648 -6.927 14.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.011 -5.375 15.374 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.349 -6.098 13.889 1.00 0.00 H new ATOM 415 N GLY A 32 -6.372 -8.426 14.219 1.00 0.00 N ATOM 416 CA GLY A 32 -5.985 -9.658 13.557 1.00 0.00 C ATOM 417 C GLY A 32 -6.024 -9.541 12.047 1.00 0.00 C ATOM 418 O GLY A 32 -5.951 -10.544 11.338 1.00 0.00 O ATOM 0 H GLY A 32 -5.804 -7.614 13.978 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.979 -9.935 13.871 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.650 -10.461 13.873 1.00 0.00 H new ATOM 422 N ASN A 33 -6.140 -8.313 11.552 1.00 0.00 N ATOM 423 CA ASN A 33 -6.191 -8.070 10.115 1.00 0.00 C ATOM 424 C ASN A 33 -4.869 -7.494 9.614 1.00 0.00 C ATOM 425 O ASN A 33 -4.513 -6.360 9.934 1.00 0.00 O ATOM 426 CB ASN A 33 -7.337 -7.113 9.779 1.00 0.00 C ATOM 427 CG ASN A 33 -8.638 -7.843 9.507 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.648 -8.908 8.891 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.744 -7.270 9.966 1.00 0.00 N ATOM 0 H ASN A 33 -6.200 -7.471 12.125 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.364 -9.023 9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.480 -6.417 10.606 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.067 -6.519 8.906 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.650 -7.714 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.688 -6.386 10.472 1.00 0.00 H new ATOM 436 N TYR A 34 -4.148 -8.283 8.826 1.00 0.00 N ATOM 437 CA TYR A 34 -2.865 -7.854 8.282 1.00 0.00 C ATOM 438 C TYR A 34 -3.022 -7.349 6.850 1.00 0.00 C ATOM 439 O TYR A 34 -2.515 -6.285 6.497 1.00 0.00 O ATOM 440 CB TYR A 34 -1.859 -9.005 8.321 1.00 0.00 C ATOM 441 CG TYR A 34 -1.276 -9.253 9.694 1.00 0.00 C ATOM 442 CD1 TYR A 34 -2.064 -9.153 10.833 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.064 -9.586 9.851 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.535 -9.377 12.090 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.601 -9.813 11.103 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.202 -9.708 12.219 1.00 0.00 C ATOM 447 OH TYR A 34 0.329 -9.933 13.468 1.00 0.00 O ATOM 0 H TYR A 34 -4.430 -9.223 8.549 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.494 -7.035 8.899 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.347 -9.915 7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.048 -8.792 7.624 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.108 -8.896 10.735 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.696 -9.669 8.979 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.161 -9.293 12.966 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.644 -10.071 11.207 1.00 0.00 H new ATOM 0 HH TYR A 34 1.279 -10.156 13.384 1.00 0.00 H new ATOM 457 N GLU A 35 -3.730 -8.122 6.032 1.00 0.00 N ATOM 458 CA GLU A 35 -3.954 -7.754 4.639 1.00 0.00 C ATOM 459 C GLU A 35 -4.631 -6.390 4.538 1.00 0.00 C ATOM 460 O GLU A 35 -4.346 -5.610 3.630 1.00 0.00 O ATOM 461 CB GLU A 35 -4.810 -8.813 3.940 1.00 0.00 C ATOM 462 CG GLU A 35 -4.884 -8.637 2.432 1.00 0.00 C ATOM 463 CD GLU A 35 -5.771 -9.672 1.768 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.712 -10.159 2.430 1.00 0.00 O ATOM 465 OE2 GLU A 35 -5.525 -9.994 0.587 1.00 0.00 O ATOM 0 H GLU A 35 -4.158 -9.005 6.310 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.984 -7.696 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.405 -9.800 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.819 -8.782 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.262 -7.640 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.880 -8.701 2.013 1.00 0.00 H new ATOM 472 N GLU A 36 -5.529 -6.111 5.478 1.00 0.00 N ATOM 473 CA GLU A 36 -6.247 -4.842 5.495 1.00 0.00 C ATOM 474 C GLU A 36 -5.367 -3.726 6.050 1.00 0.00 C ATOM 475 O GLU A 36 -5.413 -2.591 5.576 1.00 0.00 O ATOM 476 CB GLU A 36 -7.523 -4.964 6.330 1.00 0.00 C ATOM 477 CG GLU A 36 -8.612 -3.985 5.924 1.00 0.00 C ATOM 478 CD GLU A 36 -9.533 -4.546 4.858 1.00 0.00 C ATOM 479 OE1 GLU A 36 -9.054 -4.793 3.731 1.00 0.00 O ATOM 480 OE2 GLU A 36 -10.732 -4.738 5.150 1.00 0.00 O ATOM 0 H GLU A 36 -5.776 -6.746 6.237 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.516 -4.592 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.908 -5.980 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.277 -4.806 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.200 -3.716 6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.152 -3.068 5.556 1.00 0.00 H new ATOM 487 N ALA A 37 -4.566 -4.057 7.058 1.00 0.00 N ATOM 488 CA ALA A 37 -3.675 -3.085 7.677 1.00 0.00 C ATOM 489 C ALA A 37 -2.575 -2.656 6.712 1.00 0.00 C ATOM 490 O ALA A 37 -2.112 -1.515 6.750 1.00 0.00 O ATOM 491 CB ALA A 37 -3.069 -3.659 8.949 1.00 0.00 C ATOM 0 H ALA A 37 -4.517 -4.992 7.463 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.262 -2.203 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.405 -2.922 9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.865 -3.909 9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.502 -4.558 8.708 1.00 0.00 H new ATOM 497 N LEU A 38 -2.160 -3.576 5.849 1.00 0.00 N ATOM 498 CA LEU A 38 -1.113 -3.293 4.873 1.00 0.00 C ATOM 499 C LEU A 38 -1.536 -2.171 3.930 1.00 0.00 C ATOM 500 O LEU A 38 -0.916 -1.109 3.896 1.00 0.00 O ATOM 501 CB LEU A 38 -0.782 -4.552 4.070 1.00 0.00 C ATOM 502 CG LEU A 38 0.182 -4.368 2.898 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.617 -4.285 3.395 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.027 -5.502 1.896 1.00 0.00 C ATOM 0 H LEU A 38 -2.532 -4.525 5.805 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.224 -2.971 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.358 -5.291 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.713 -4.969 3.686 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.062 -3.432 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.289 -4.154 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.719 -3.437 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.873 -5.204 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.721 -5.354 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.243 -6.452 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.994 -5.514 1.515 1.00 0.00 H new ATOM 516 N GLN A 39 -2.597 -2.415 3.167 1.00 0.00 N ATOM 517 CA GLN A 39 -3.103 -1.425 2.225 1.00 0.00 C ATOM 518 C GLN A 39 -3.294 -0.073 2.905 1.00 0.00 C ATOM 519 O GLN A 39 -3.011 0.974 2.320 1.00 0.00 O ATOM 520 CB GLN A 39 -4.427 -1.895 1.620 1.00 0.00 C ATOM 521 CG GLN A 39 -5.629 -1.642 2.516 1.00 0.00 C ATOM 522 CD GLN A 39 -6.947 -1.821 1.788 1.00 0.00 C ATOM 523 OE1 GLN A 39 -7.189 -2.854 1.162 1.00 0.00 O ATOM 524 NE2 GLN A 39 -7.808 -0.813 1.867 1.00 0.00 N ATOM 0 H GLN A 39 -3.122 -3.289 3.183 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.368 -1.310 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.582 -1.389 0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.361 -2.962 1.407 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.593 -2.322 3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.573 -0.629 2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.566 0.024 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.712 -0.876 1.398 1.00 0.00 H new ATOM 533 N LEU A 40 -3.774 -0.102 4.143 1.00 0.00 N ATOM 534 CA LEU A 40 -4.003 1.121 4.904 1.00 0.00 C ATOM 535 C LEU A 40 -2.682 1.799 5.255 1.00 0.00 C ATOM 536 O LEU A 40 -2.556 3.020 5.162 1.00 0.00 O ATOM 537 CB LEU A 40 -4.785 0.812 6.182 1.00 0.00 C ATOM 538 CG LEU A 40 -6.226 0.337 5.989 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.808 -0.151 7.306 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.081 1.453 5.406 1.00 0.00 C ATOM 0 H LEU A 40 -4.012 -0.959 4.641 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.587 1.801 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.243 0.048 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.799 1.709 6.801 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.223 -0.496 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.834 -0.485 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.210 -0.981 7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.798 0.662 8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.103 1.098 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.077 2.306 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.676 1.755 4.440 1.00 0.00 H new ATOM 552 N TYR A 41 -1.700 0.999 5.656 1.00 0.00 N ATOM 553 CA TYR A 41 -0.389 1.522 6.020 1.00 0.00 C ATOM 554 C TYR A 41 0.275 2.206 4.829 1.00 0.00 C ATOM 555 O TYR A 41 1.001 3.186 4.989 1.00 0.00 O ATOM 556 CB TYR A 41 0.506 0.395 6.539 1.00 0.00 C ATOM 557 CG TYR A 41 0.317 0.102 8.011 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.498 1.094 8.966 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.040 -1.169 8.446 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.327 0.831 10.311 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.214 -1.441 9.788 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.029 -0.438 10.717 1.00 0.00 C ATOM 563 OH TYR A 41 -0.200 -0.706 12.056 1.00 0.00 O ATOM 0 H TYR A 41 -1.787 -0.014 5.737 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.527 2.261 6.809 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.304 -0.511 5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.548 0.658 6.360 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.777 2.089 8.651 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.184 -1.957 7.722 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.471 1.614 11.040 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.493 -2.434 10.109 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.482 -1.638 12.170 1.00 0.00 H new ATOM 573 N GLN A 42 0.019 1.681 3.635 1.00 0.00 N ATOM 574 CA GLN A 42 0.591 2.240 2.416 1.00 0.00 C ATOM 575 C GLN A 42 -0.115 3.534 2.027 1.00 0.00 C ATOM 576 O GLN A 42 0.529 4.533 1.706 1.00 0.00 O ATOM 577 CB GLN A 42 0.496 1.229 1.272 1.00 0.00 C ATOM 578 CG GLN A 42 1.167 -0.100 1.578 1.00 0.00 C ATOM 579 CD GLN A 42 1.546 -0.865 0.324 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.595 -0.621 -0.272 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.691 -1.796 -0.082 1.00 0.00 N ATOM 0 H GLN A 42 -0.581 0.869 3.486 1.00 0.00 H new ATOM 0 HA GLN A 42 1.641 2.464 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.554 1.052 1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.950 1.659 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.062 0.078 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.496 -0.711 2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.167 -1.964 0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.892 -2.343 -0.919 1.00 0.00 H new ATOM 590 N HIS A 43 -1.444 3.509 2.057 1.00 0.00 N ATOM 591 CA HIS A 43 -2.239 4.681 1.708 1.00 0.00 C ATOM 592 C HIS A 43 -1.872 5.870 2.591 1.00 0.00 C ATOM 593 O HIS A 43 -1.536 6.944 2.095 1.00 0.00 O ATOM 594 CB HIS A 43 -3.730 4.371 1.842 1.00 0.00 C ATOM 595 CG HIS A 43 -4.340 3.811 0.595 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.465 4.534 -0.573 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.861 2.588 0.336 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.038 3.781 -1.495 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.287 2.596 -0.970 1.00 0.00 N ATOM 0 H HIS A 43 -1.993 2.690 2.319 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.022 4.941 0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.873 3.661 2.657 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.259 5.283 2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.929 1.761 1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.264 4.084 -2.507 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.725 1.813 -1.455 1.00 0.00 H new ATOM 608 N ALA A 44 -1.941 5.669 3.903 1.00 0.00 N ATOM 609 CA ALA A 44 -1.615 6.723 4.856 1.00 0.00 C ATOM 610 C ALA A 44 -0.420 7.542 4.380 1.00 0.00 C ATOM 611 O ALA A 44 -0.470 8.772 4.350 1.00 0.00 O ATOM 612 CB ALA A 44 -1.337 6.127 6.228 1.00 0.00 C ATOM 0 H ALA A 44 -2.220 4.786 4.330 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.473 7.391 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.095 6.926 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.220 5.592 6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.497 5.436 6.161 1.00 0.00 H new ATOM 618 N VAL A 45 0.655 6.853 4.011 1.00 0.00 N ATOM 619 CA VAL A 45 1.863 7.517 3.536 1.00 0.00 C ATOM 620 C VAL A 45 1.595 8.294 2.252 1.00 0.00 C ATOM 621 O VAL A 45 1.890 9.485 2.163 1.00 0.00 O ATOM 622 CB VAL A 45 2.997 6.506 3.285 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.229 7.210 2.738 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.329 5.749 4.562 1.00 0.00 C ATOM 0 H VAL A 45 0.714 5.835 4.032 1.00 0.00 H new ATOM 0 HA VAL A 45 2.171 8.211 4.318 1.00 0.00 H new ATOM 0 HB VAL A 45 2.659 5.786 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.020 6.479 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.980 7.702 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.572 7.954 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.132 5.039 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.647 6.454 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.446 5.211 4.906 1.00 0.00 H new ATOM 634 N GLN A 46 1.034 7.610 1.260 1.00 0.00 N ATOM 635 CA GLN A 46 0.726 8.237 -0.020 1.00 0.00 C ATOM 636 C GLN A 46 0.135 9.628 0.183 1.00 0.00 C ATOM 637 O GLN A 46 0.632 10.611 -0.369 1.00 0.00 O ATOM 638 CB GLN A 46 -0.249 7.367 -0.816 1.00 0.00 C ATOM 639 CG GLN A 46 0.338 6.033 -1.247 1.00 0.00 C ATOM 640 CD GLN A 46 1.166 6.141 -2.513 1.00 0.00 C ATOM 641 OE1 GLN A 46 0.627 6.289 -3.610 1.00 0.00 O ATOM 642 NE2 GLN A 46 2.484 6.068 -2.367 1.00 0.00 N ATOM 0 H GLN A 46 0.784 6.623 1.318 1.00 0.00 H new ATOM 0 HA GLN A 46 1.656 8.336 -0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.137 7.185 -0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.573 7.915 -1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.959 5.637 -0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.470 5.319 -1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.888 5.945 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.092 6.135 -3.183 1.00 0.00 H new ATOM 651 N TYR A 47 -0.926 9.705 0.977 1.00 0.00 N ATOM 652 CA TYR A 47 -1.586 10.976 1.251 1.00 0.00 C ATOM 653 C TYR A 47 -0.645 11.934 1.974 1.00 0.00 C ATOM 654 O TYR A 47 -0.457 13.075 1.551 1.00 0.00 O ATOM 655 CB TYR A 47 -2.845 10.750 2.090 1.00 0.00 C ATOM 656 CG TYR A 47 -3.979 10.111 1.320 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.109 8.730 1.255 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.922 10.890 0.660 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.143 8.142 0.552 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.960 10.310 -0.044 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.066 8.936 -0.095 1.00 0.00 C ATOM 662 OH TYR A 47 -7.098 8.354 -0.795 1.00 0.00 O ATOM 0 H TYR A 47 -1.348 8.902 1.443 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.868 11.423 0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.595 10.119 2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.182 11.707 2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.389 8.105 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.842 11.966 0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.228 7.066 0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.684 10.930 -0.552 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.660 9.053 -1.191 1.00 0.00 H new ATOM 672 N PHE A 48 -0.054 11.461 3.066 1.00 0.00 N ATOM 673 CA PHE A 48 0.868 12.275 3.850 1.00 0.00 C ATOM 674 C PHE A 48 1.841 13.021 2.942 1.00 0.00 C ATOM 675 O PHE A 48 1.983 14.241 3.034 1.00 0.00 O ATOM 676 CB PHE A 48 1.643 11.398 4.836 1.00 0.00 C ATOM 677 CG PHE A 48 0.935 11.199 6.145 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.543 12.286 6.909 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.663 9.923 6.613 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.109 12.106 8.114 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.011 9.737 7.818 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.375 10.830 8.569 1.00 0.00 C ATOM 0 H PHE A 48 -0.197 10.518 3.428 1.00 0.00 H new ATOM 0 HA PHE A 48 0.284 13.008 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.825 10.425 4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.617 11.850 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.749 13.286 6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.964 9.065 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.410 12.962 8.699 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.196 8.738 8.172 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.884 10.687 9.511 1.00 0.00 H new ATOM 692 N LEU A 49 2.510 12.280 2.065 1.00 0.00 N ATOM 693 CA LEU A 49 3.471 12.870 1.140 1.00 0.00 C ATOM 694 C LEU A 49 2.814 13.954 0.291 1.00 0.00 C ATOM 695 O LEU A 49 3.200 15.122 0.350 1.00 0.00 O ATOM 696 CB LEU A 49 4.067 11.789 0.235 1.00 0.00 C ATOM 697 CG LEU A 49 5.061 10.834 0.896 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.394 9.680 -0.037 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.326 11.577 1.302 1.00 0.00 C ATOM 0 H LEU A 49 2.404 11.269 1.975 1.00 0.00 H new ATOM 0 HA LEU A 49 4.269 13.326 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.249 11.200 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.565 12.278 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 49 4.600 10.425 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.103 9.011 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.483 9.131 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.835 10.070 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.022 10.881 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.790 12.015 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.073 12.368 2.008 1.00 0.00 H new ATOM 711 N HIS A 50 1.818 13.560 -0.496 1.00 0.00 N ATOM 712 CA HIS A 50 1.105 14.499 -1.355 1.00 0.00 C ATOM 713 C HIS A 50 0.935 15.848 -0.662 1.00 0.00 C ATOM 714 O HIS A 50 1.107 16.900 -1.278 1.00 0.00 O ATOM 715 CB HIS A 50 -0.262 13.934 -1.739 1.00 0.00 C ATOM 716 CG HIS A 50 -0.802 14.492 -3.020 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.305 14.148 -4.260 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.803 15.374 -3.249 1.00 0.00 C ATOM 719 CE1 HIS A 50 -0.976 14.795 -5.196 1.00 0.00 C ATOM 720 NE2 HIS A 50 -1.891 15.546 -4.609 1.00 0.00 N ATOM 0 H HIS A 50 1.486 12.597 -0.557 1.00 0.00 H new ATOM 0 HA HIS A 50 1.696 14.647 -2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.186 12.850 -1.828 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.970 14.139 -0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.418 15.853 -2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.806 14.722 -6.260 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.555 16.155 -5.088 1.00 0.00 H new ATOM 729 N VAL A 51 0.596 15.809 0.623 1.00 0.00 N ATOM 730 CA VAL A 51 0.403 17.028 1.400 1.00 0.00 C ATOM 731 C VAL A 51 1.692 17.838 1.479 1.00 0.00 C ATOM 732 O VAL A 51 1.730 19.004 1.085 1.00 0.00 O ATOM 733 CB VAL A 51 -0.081 16.712 2.827 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.065 17.968 3.686 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.472 16.097 2.794 1.00 0.00 C ATOM 0 H VAL A 51 0.449 14.947 1.148 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.360 17.614 0.887 1.00 0.00 H new ATOM 0 HB VAL A 51 0.601 15.987 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.410 17.726 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.950 18.362 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.724 18.717 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.798 15.880 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.168 16.796 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.448 15.173 2.216 1.00 0.00 H new ATOM 745 N VAL A 52 2.747 17.214 1.992 1.00 0.00 N ATOM 746 CA VAL A 52 4.040 17.876 2.122 1.00 0.00 C ATOM 747 C VAL A 52 4.546 18.363 0.769 1.00 0.00 C ATOM 748 O VAL A 52 5.416 19.232 0.695 1.00 0.00 O ATOM 749 CB VAL A 52 5.091 16.938 2.744 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.446 17.626 2.813 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.645 16.480 4.125 1.00 0.00 C ATOM 0 H VAL A 52 2.732 16.250 2.325 1.00 0.00 H new ATOM 0 HA VAL A 52 3.893 18.732 2.781 1.00 0.00 H new ATOM 0 HB VAL A 52 5.189 16.058 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.176 16.948 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.767 17.899 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.367 18.524 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.399 15.818 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.517 17.348 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.698 15.946 4.043 1.00 0.00 H new ATOM 761 N LYS A 53 3.996 17.799 -0.301 1.00 0.00 N ATOM 762 CA LYS A 53 4.390 18.176 -1.653 1.00 0.00 C ATOM 763 C LYS A 53 3.723 19.483 -2.069 1.00 0.00 C ATOM 764 O LYS A 53 4.398 20.465 -2.377 1.00 0.00 O ATOM 765 CB LYS A 53 4.023 17.066 -2.641 1.00 0.00 C ATOM 766 CG LYS A 53 4.897 17.045 -3.883 1.00 0.00 C ATOM 767 CD LYS A 53 4.497 18.134 -4.865 1.00 0.00 C ATOM 768 CE LYS A 53 5.522 18.283 -5.979 1.00 0.00 C ATOM 769 NZ LYS A 53 5.265 17.336 -7.099 1.00 0.00 N ATOM 0 H LYS A 53 3.275 17.078 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 53 5.470 18.321 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.099 16.103 -2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.982 17.188 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.940 17.177 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.820 16.071 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.523 17.899 -5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.392 19.081 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.502 19.305 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.521 18.110 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.985 17.469 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.309 16.359 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.322 17.518 -7.498 1.00 0.00 H new ATOM 783 N TYR A 54 2.394 19.488 -2.075 1.00 0.00 N ATOM 784 CA TYR A 54 1.636 20.674 -2.455 1.00 0.00 C ATOM 785 C TYR A 54 1.177 21.445 -1.221 1.00 0.00 C ATOM 786 O TYR A 54 1.458 22.635 -1.079 1.00 0.00 O ATOM 787 CB TYR A 54 0.426 20.282 -3.304 1.00 0.00 C ATOM 788 CG TYR A 54 0.779 19.432 -4.504 1.00 0.00 C ATOM 789 CD1 TYR A 54 0.914 18.054 -4.388 1.00 0.00 C ATOM 790 CD2 TYR A 54 0.977 20.007 -5.753 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.237 17.274 -5.482 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.299 19.235 -6.852 1.00 0.00 C ATOM 793 CZ TYR A 54 1.428 17.868 -6.711 1.00 0.00 C ATOM 794 OH TYR A 54 1.749 17.095 -7.804 1.00 0.00 O ATOM 0 H TYR A 54 1.820 18.684 -1.821 1.00 0.00 H new ATOM 0 HA TYR A 54 2.290 21.319 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.284 19.739 -2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.077 21.187 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.764 17.585 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.877 21.076 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.339 16.204 -5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.449 19.698 -7.816 1.00 0.00 H new ATOM 0 HH TYR A 54 1.848 17.668 -8.593 1.00 0.00 H new ATOM 804 N GLU A 55 0.470 20.757 -0.330 1.00 0.00 N ATOM 805 CA GLU A 55 -0.028 21.376 0.892 1.00 0.00 C ATOM 806 C GLU A 55 1.050 21.396 1.971 1.00 0.00 C ATOM 807 O GLU A 55 0.771 21.167 3.148 1.00 0.00 O ATOM 808 CB GLU A 55 -1.262 20.629 1.403 1.00 0.00 C ATOM 809 CG GLU A 55 -2.489 20.807 0.524 1.00 0.00 C ATOM 810 CD GLU A 55 -2.898 22.260 0.381 1.00 0.00 C ATOM 811 OE1 GLU A 55 -2.509 23.073 1.247 1.00 0.00 O ATOM 812 OE2 GLU A 55 -3.606 22.585 -0.595 1.00 0.00 O ATOM 0 H GLU A 55 0.229 19.771 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.305 22.404 0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.029 19.567 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.494 20.974 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.288 20.391 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.319 20.240 0.946 1.00 0.00 H new ATOM 819 N ALA A 56 2.284 21.671 1.561 1.00 0.00 N ATOM 820 CA ALA A 56 3.405 21.722 2.491 1.00 0.00 C ATOM 821 C ALA A 56 3.055 22.544 3.727 1.00 0.00 C ATOM 822 O ALA A 56 2.110 23.332 3.712 1.00 0.00 O ATOM 823 CB ALA A 56 4.635 22.296 1.804 1.00 0.00 C ATOM 0 H ALA A 56 2.532 21.862 0.590 1.00 0.00 H new ATOM 0 HA ALA A 56 3.625 20.704 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.465 22.328 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.905 21.667 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.418 23.305 1.453 1.00 0.00 H new ATOM 829 N GLN A 57 3.823 22.354 4.796 1.00 0.00 N ATOM 830 CA GLN A 57 3.592 23.077 6.040 1.00 0.00 C ATOM 831 C GLN A 57 4.907 23.359 6.758 1.00 0.00 C ATOM 832 O GLN A 57 5.955 22.835 6.384 1.00 0.00 O ATOM 833 CB GLN A 57 2.660 22.279 6.953 1.00 0.00 C ATOM 834 CG GLN A 57 2.883 20.776 6.887 1.00 0.00 C ATOM 835 CD GLN A 57 1.698 19.987 7.406 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.196 20.244 8.501 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.242 19.018 6.620 1.00 0.00 N ATOM 0 H GLN A 57 4.610 21.706 4.825 1.00 0.00 H new ATOM 0 HA GLN A 57 3.121 24.029 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.798 22.614 7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.627 22.497 6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.083 20.487 5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.769 20.518 7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.688 18.839 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.446 18.453 6.916 1.00 0.00 H new ATOM 846 N GLY A 58 4.845 24.192 7.793 1.00 0.00 N ATOM 847 CA GLY A 58 6.038 24.529 8.547 1.00 0.00 C ATOM 848 C GLY A 58 7.009 23.369 8.646 1.00 0.00 C ATOM 849 O GLY A 58 6.602 22.208 8.631 1.00 0.00 O ATOM 0 H GLY A 58 3.990 24.639 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.536 25.376 8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.753 24.846 9.550 1.00 0.00 H new ATOM 853 N ASP A 59 8.295 23.684 8.746 1.00 0.00 N ATOM 854 CA ASP A 59 9.328 22.659 8.847 1.00 0.00 C ATOM 855 C ASP A 59 9.004 21.670 9.963 1.00 0.00 C ATOM 856 O ASP A 59 8.826 20.477 9.718 1.00 0.00 O ATOM 857 CB ASP A 59 10.692 23.302 9.098 1.00 0.00 C ATOM 858 CG ASP A 59 11.363 23.757 7.816 1.00 0.00 C ATOM 859 OD1 ASP A 59 12.005 22.917 7.152 1.00 0.00 O ATOM 860 OD2 ASP A 59 11.244 24.953 7.478 1.00 0.00 O ATOM 0 H ASP A 59 8.648 24.641 8.759 1.00 0.00 H new ATOM 0 HA ASP A 59 9.360 22.116 7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.571 24.156 9.764 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.338 22.588 9.609 1.00 0.00 H new ATOM 865 N LYS A 60 8.931 22.175 11.190 1.00 0.00 N ATOM 866 CA LYS A 60 8.629 21.337 12.345 1.00 0.00 C ATOM 867 C LYS A 60 7.610 20.261 11.985 1.00 0.00 C ATOM 868 O LYS A 60 7.747 19.105 12.386 1.00 0.00 O ATOM 869 CB LYS A 60 8.096 22.194 13.496 1.00 0.00 C ATOM 870 CG LYS A 60 9.189 22.787 14.368 1.00 0.00 C ATOM 871 CD LYS A 60 8.754 24.105 14.987 1.00 0.00 C ATOM 872 CE LYS A 60 7.834 23.886 16.178 1.00 0.00 C ATOM 873 NZ LYS A 60 6.432 23.615 15.753 1.00 0.00 N ATOM 0 H LYS A 60 9.077 23.160 11.410 1.00 0.00 H new ATOM 0 HA LYS A 60 9.551 20.848 12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.491 23.003 13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.438 21.586 14.116 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.449 22.082 15.157 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.088 22.943 13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.633 24.667 15.304 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.243 24.709 14.237 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.202 23.049 16.772 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.855 24.766 16.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.774 23.993 16.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.252 24.074 14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.290 22.589 15.660 1.00 0.00 H new ATOM 887 N ALA A 61 6.590 20.647 11.225 1.00 0.00 N ATOM 888 CA ALA A 61 5.551 19.714 10.809 1.00 0.00 C ATOM 889 C ALA A 61 6.073 18.748 9.750 1.00 0.00 C ATOM 890 O ALA A 61 5.961 17.531 9.896 1.00 0.00 O ATOM 891 CB ALA A 61 4.341 20.472 10.284 1.00 0.00 C ATOM 0 H ALA A 61 6.462 21.600 10.885 1.00 0.00 H new ATOM 0 HA ALA A 61 5.251 19.130 11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.573 19.763 9.977 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.947 21.117 11.069 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.636 21.081 9.429 1.00 0.00 H new ATOM 897 N LYS A 62 6.643 19.298 8.683 1.00 0.00 N ATOM 898 CA LYS A 62 7.183 18.486 7.599 1.00 0.00 C ATOM 899 C LYS A 62 7.880 17.244 8.145 1.00 0.00 C ATOM 900 O LYS A 62 7.436 16.121 7.913 1.00 0.00 O ATOM 901 CB LYS A 62 8.164 19.308 6.760 1.00 0.00 C ATOM 902 CG LYS A 62 7.508 20.042 5.603 1.00 0.00 C ATOM 903 CD LYS A 62 8.321 21.254 5.180 1.00 0.00 C ATOM 904 CE LYS A 62 7.700 21.949 3.978 1.00 0.00 C ATOM 905 NZ LYS A 62 8.609 22.980 3.403 1.00 0.00 N ATOM 0 H LYS A 62 6.743 20.304 8.546 1.00 0.00 H new ATOM 0 HA LYS A 62 6.353 18.167 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.661 20.033 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.937 18.647 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.397 19.364 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.506 20.358 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.390 21.955 6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.338 20.945 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.461 21.209 3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.761 22.417 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.150 23.431 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.817 23.700 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.495 22.530 3.097 1.00 0.00 H new ATOM 919 N GLN A 63 8.972 17.456 8.872 1.00 0.00 N ATOM 920 CA GLN A 63 9.729 16.352 9.451 1.00 0.00 C ATOM 921 C GLN A 63 8.804 15.375 10.170 1.00 0.00 C ATOM 922 O GLN A 63 8.998 14.161 10.107 1.00 0.00 O ATOM 923 CB GLN A 63 10.783 16.884 10.424 1.00 0.00 C ATOM 924 CG GLN A 63 10.204 17.733 11.544 1.00 0.00 C ATOM 925 CD GLN A 63 11.224 18.059 12.617 1.00 0.00 C ATOM 926 OE1 GLN A 63 12.383 18.352 12.320 1.00 0.00 O ATOM 927 NE2 GLN A 63 10.799 18.010 13.874 1.00 0.00 N ATOM 0 H GLN A 63 9.352 18.381 9.074 1.00 0.00 H new ATOM 0 HA GLN A 63 10.228 15.822 8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.322 16.042 10.859 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.511 17.476 9.870 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.813 18.661 11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.363 17.207 11.996 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.830 17.763 14.076 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.441 18.220 14.638 1.00 0.00 H new ATOM 936 N SER A 64 7.798 15.913 10.851 1.00 0.00 N ATOM 937 CA SER A 64 6.845 15.089 11.585 1.00 0.00 C ATOM 938 C SER A 64 6.174 14.079 10.659 1.00 0.00 C ATOM 939 O SER A 64 6.214 12.873 10.906 1.00 0.00 O ATOM 940 CB SER A 64 5.785 15.968 12.252 1.00 0.00 C ATOM 941 OG SER A 64 5.297 15.367 13.439 1.00 0.00 O ATOM 0 H SER A 64 7.622 16.916 10.910 1.00 0.00 H new ATOM 0 HA SER A 64 7.392 14.544 12.355 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.211 16.944 12.484 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.960 16.136 11.560 1.00 0.00 H new ATOM 0 HG SER A 64 4.622 15.949 13.847 1.00 0.00 H new ATOM 947 N ILE A 65 5.559 14.580 9.594 1.00 0.00 N ATOM 948 CA ILE A 65 4.881 13.722 8.630 1.00 0.00 C ATOM 949 C ILE A 65 5.854 12.737 7.991 1.00 0.00 C ATOM 950 O ILE A 65 5.551 11.552 7.853 1.00 0.00 O ATOM 951 CB ILE A 65 4.202 14.548 7.521 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.028 15.344 8.095 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.732 13.639 6.396 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.539 16.444 7.179 1.00 0.00 C ATOM 0 H ILE A 65 5.516 15.576 9.376 1.00 0.00 H new ATOM 0 HA ILE A 65 4.118 13.171 9.180 1.00 0.00 H new ATOM 0 HB ILE A 65 4.929 15.250 7.114 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.204 14.662 8.302 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.327 15.781 9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.254 14.237 5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.587 13.112 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.017 12.915 6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.706 16.966 7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.349 17.148 6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.209 16.011 6.235 1.00 0.00 H new ATOM 966 N ARG A 66 7.023 13.235 7.604 1.00 0.00 N ATOM 967 CA ARG A 66 8.041 12.399 6.980 1.00 0.00 C ATOM 968 C ARG A 66 8.381 11.203 7.866 1.00 0.00 C ATOM 969 O ARG A 66 8.278 10.053 7.440 1.00 0.00 O ATOM 970 CB ARG A 66 9.304 13.216 6.703 1.00 0.00 C ATOM 971 CG ARG A 66 9.245 14.009 5.408 1.00 0.00 C ATOM 972 CD ARG A 66 10.223 15.173 5.422 1.00 0.00 C ATOM 973 NE ARG A 66 11.532 14.795 4.896 1.00 0.00 N ATOM 974 CZ ARG A 66 11.749 14.478 3.624 1.00 0.00 C ATOM 975 NH1 ARG A 66 10.749 14.494 2.753 1.00 0.00 N ATOM 976 NH2 ARG A 66 12.968 14.144 3.221 1.00 0.00 N ATOM 0 H ARG A 66 7.289 14.214 7.712 1.00 0.00 H new ATOM 0 HA ARG A 66 7.642 12.029 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.471 13.903 7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.161 12.544 6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.471 13.353 4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.233 14.385 5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.818 15.994 4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.335 15.540 6.442 1.00 0.00 H new ATOM 0 HE ARG A 66 12.323 14.773 5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.810 14.750 3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.919 14.250 1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.740 14.130 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.134 13.901 2.244 1.00 0.00 H new ATOM 990 N ALA A 67 8.785 11.484 9.100 1.00 0.00 N ATOM 991 CA ALA A 67 9.138 10.432 10.046 1.00 0.00 C ATOM 992 C ALA A 67 8.074 9.340 10.075 1.00 0.00 C ATOM 993 O ALA A 67 8.391 8.150 10.067 1.00 0.00 O ATOM 994 CB ALA A 67 9.334 11.017 11.437 1.00 0.00 C ATOM 0 H ALA A 67 8.876 12.431 9.468 1.00 0.00 H new ATOM 0 HA ALA A 67 10.075 9.982 9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.597 10.220 12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.135 11.756 11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.410 11.494 11.764 1.00 0.00 H new ATOM 1000 N LYS A 68 6.811 9.751 10.108 1.00 0.00 N ATOM 1001 CA LYS A 68 5.699 8.809 10.137 1.00 0.00 C ATOM 1002 C LYS A 68 5.653 7.983 8.855 1.00 0.00 C ATOM 1003 O LYS A 68 5.463 6.766 8.896 1.00 0.00 O ATOM 1004 CB LYS A 68 4.376 9.554 10.324 1.00 0.00 C ATOM 1005 CG LYS A 68 3.985 9.744 11.779 1.00 0.00 C ATOM 1006 CD LYS A 68 4.932 10.695 12.491 1.00 0.00 C ATOM 1007 CE LYS A 68 5.042 10.366 13.972 1.00 0.00 C ATOM 1008 NZ LYS A 68 3.896 10.913 14.749 1.00 0.00 N ATOM 0 H LYS A 68 6.532 10.732 10.115 1.00 0.00 H new ATOM 0 HA LYS A 68 5.850 8.134 10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.448 10.531 9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.585 9.006 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.968 10.132 11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.987 8.779 12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.919 10.640 12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.580 11.719 12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.085 9.285 14.101 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.974 10.771 14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.009 10.667 15.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.869 11.948 14.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.008 10.507 14.391 1.00 0.00 H new ATOM 1022 N CYS A 69 5.829 8.650 7.720 1.00 0.00 N ATOM 1023 CA CYS A 69 5.808 7.976 6.427 1.00 0.00 C ATOM 1024 C CYS A 69 6.753 6.779 6.421 1.00 0.00 C ATOM 1025 O CYS A 69 6.394 5.692 5.968 1.00 0.00 O ATOM 1026 CB CYS A 69 6.194 8.952 5.314 1.00 0.00 C ATOM 1027 SG CYS A 69 4.851 10.043 4.789 1.00 0.00 S ATOM 0 H CYS A 69 5.988 9.656 7.669 1.00 0.00 H new ATOM 0 HA CYS A 69 4.795 7.616 6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.031 9.562 5.654 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.544 8.384 4.452 1.00 0.00 H new ATOM 0 HG CYS A 69 5.276 10.832 3.847 1.00 0.00 H new ATOM 1033 N THR A 70 7.966 6.987 6.926 1.00 0.00 N ATOM 1034 CA THR A 70 8.964 5.927 6.976 1.00 0.00 C ATOM 1035 C THR A 70 8.542 4.819 7.935 1.00 0.00 C ATOM 1036 O THR A 70 8.670 3.635 7.624 1.00 0.00 O ATOM 1037 CB THR A 70 10.339 6.470 7.411 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.775 7.485 6.500 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.370 5.352 7.465 1.00 0.00 C ATOM 0 H THR A 70 8.280 7.880 7.306 1.00 0.00 H new ATOM 0 HA THR A 70 9.044 5.521 5.968 1.00 0.00 H new ATOM 0 HB THR A 70 10.238 6.897 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.649 7.826 6.784 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.333 5.759 7.774 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.049 4.595 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.468 4.899 6.478 1.00 0.00 H new ATOM 1047 N GLU A 71 8.038 5.211 9.100 1.00 0.00 N ATOM 1048 CA GLU A 71 7.597 4.250 10.104 1.00 0.00 C ATOM 1049 C GLU A 71 6.538 3.312 9.530 1.00 0.00 C ATOM 1050 O GLU A 71 6.759 2.107 9.412 1.00 0.00 O ATOM 1051 CB GLU A 71 7.039 4.977 11.329 1.00 0.00 C ATOM 1052 CG GLU A 71 6.531 4.042 12.413 1.00 0.00 C ATOM 1053 CD GLU A 71 7.572 3.025 12.842 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.526 3.415 13.547 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.433 1.841 12.471 1.00 0.00 O ATOM 0 H GLU A 71 7.925 6.187 9.372 1.00 0.00 H new ATOM 0 HA GLU A 71 8.460 3.656 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.817 5.616 11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.225 5.630 11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.223 4.629 13.279 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.646 3.519 12.051 1.00 0.00 H new ATOM 1062 N TYR A 72 5.387 3.874 9.177 1.00 0.00 N ATOM 1063 CA TYR A 72 4.293 3.089 8.619 1.00 0.00 C ATOM 1064 C TYR A 72 4.772 2.247 7.440 1.00 0.00 C ATOM 1065 O TYR A 72 4.471 1.056 7.349 1.00 0.00 O ATOM 1066 CB TYR A 72 3.154 4.008 8.174 1.00 0.00 C ATOM 1067 CG TYR A 72 2.510 4.768 9.312 1.00 0.00 C ATOM 1068 CD1 TYR A 72 1.869 4.098 10.346 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.542 6.157 9.351 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.279 4.788 11.387 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.956 6.855 10.389 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.326 6.167 11.404 1.00 0.00 C ATOM 1073 OH TYR A 72 0.739 6.859 12.439 1.00 0.00 O ATOM 0 H TYR A 72 5.188 4.870 9.268 1.00 0.00 H new ATOM 0 HA TYR A 72 3.928 2.418 9.396 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.537 4.720 7.443 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.393 3.412 7.670 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.831 3.019 10.336 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.033 6.699 8.557 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.784 4.251 12.183 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.991 7.934 10.405 1.00 0.00 H new ATOM 0 HH TYR A 72 0.862 7.821 12.301 1.00 0.00 H new ATOM 1083 N LEU A 73 5.520 2.875 6.539 1.00 0.00 N ATOM 1084 CA LEU A 73 6.043 2.185 5.365 1.00 0.00 C ATOM 1085 C LEU A 73 6.752 0.894 5.762 1.00 0.00 C ATOM 1086 O LEU A 73 6.445 -0.179 5.244 1.00 0.00 O ATOM 1087 CB LEU A 73 7.006 3.095 4.601 1.00 0.00 C ATOM 1088 CG LEU A 73 6.363 4.122 3.669 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.374 5.183 3.264 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.784 3.437 2.440 1.00 0.00 C ATOM 0 H LEU A 73 5.778 3.860 6.599 1.00 0.00 H new ATOM 0 HA LEU A 73 5.202 1.932 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.623 3.627 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.676 2.469 4.012 1.00 0.00 H new ATOM 0 HG LEU A 73 5.550 4.611 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.898 5.905 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.741 5.695 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.209 4.711 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.330 4.183 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.579 2.921 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.027 2.716 2.748 1.00 0.00 H new ATOM 1102 N ASP A 74 7.700 1.007 6.686 1.00 0.00 N ATOM 1103 CA ASP A 74 8.451 -0.152 7.156 1.00 0.00 C ATOM 1104 C ASP A 74 7.516 -1.201 7.751 1.00 0.00 C ATOM 1105 O ASP A 74 7.662 -2.395 7.490 1.00 0.00 O ATOM 1106 CB ASP A 74 9.488 0.274 8.197 1.00 0.00 C ATOM 1107 CG ASP A 74 10.706 -0.629 8.204 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.632 -1.720 8.806 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.733 -0.244 7.606 1.00 0.00 O ATOM 0 H ASP A 74 7.967 1.889 7.124 1.00 0.00 H new ATOM 0 HA ASP A 74 8.965 -0.592 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.800 1.299 7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.029 0.268 9.186 1.00 0.00 H new ATOM 1114 N ARG A 75 6.557 -0.746 8.551 1.00 0.00 N ATOM 1115 CA ARG A 75 5.600 -1.645 9.184 1.00 0.00 C ATOM 1116 C ARG A 75 4.937 -2.549 8.149 1.00 0.00 C ATOM 1117 O ARG A 75 4.867 -3.765 8.326 1.00 0.00 O ATOM 1118 CB ARG A 75 4.535 -0.844 9.935 1.00 0.00 C ATOM 1119 CG ARG A 75 3.388 -1.694 10.455 1.00 0.00 C ATOM 1120 CD ARG A 75 3.845 -2.630 11.564 1.00 0.00 C ATOM 1121 NE ARG A 75 2.751 -2.993 12.460 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.356 -2.239 13.480 1.00 0.00 C ATOM 1123 NH1 ARG A 75 2.962 -1.087 13.731 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.352 -2.637 14.251 1.00 0.00 N ATOM 0 H ARG A 75 6.422 0.240 8.776 1.00 0.00 H new ATOM 0 HA ARG A 75 6.141 -2.271 9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.004 -0.329 10.774 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.136 -0.076 9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.594 -1.047 10.828 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.966 -2.277 9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.268 -3.533 11.124 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.639 -2.152 12.137 1.00 0.00 H new ATOM 0 HE ARG A 75 2.263 -3.873 12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.734 -0.777 13.140 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.657 -0.510 14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.883 -3.523 14.061 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.049 -2.057 15.034 1.00 0.00 H new ATOM 1138 N ALA A 76 4.450 -1.946 7.069 1.00 0.00 N ATOM 1139 CA ALA A 76 3.793 -2.696 6.006 1.00 0.00 C ATOM 1140 C ALA A 76 4.719 -3.766 5.437 1.00 0.00 C ATOM 1141 O ALA A 76 4.344 -4.933 5.337 1.00 0.00 O ATOM 1142 CB ALA A 76 3.332 -1.754 4.904 1.00 0.00 C ATOM 0 H ALA A 76 4.498 -0.940 6.908 1.00 0.00 H new ATOM 0 HA ALA A 76 2.922 -3.195 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.843 -2.327 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.629 -1.029 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.193 -1.230 4.490 1.00 0.00 H new ATOM 1148 N GLU A 77 5.928 -3.359 5.064 1.00 0.00 N ATOM 1149 CA GLU A 77 6.906 -4.284 4.503 1.00 0.00 C ATOM 1150 C GLU A 77 6.859 -5.628 5.224 1.00 0.00 C ATOM 1151 O GLU A 77 6.826 -6.684 4.592 1.00 0.00 O ATOM 1152 CB GLU A 77 8.314 -3.692 4.597 1.00 0.00 C ATOM 1153 CG GLU A 77 8.551 -2.533 3.643 1.00 0.00 C ATOM 1154 CD GLU A 77 10.011 -2.128 3.569 1.00 0.00 C ATOM 1155 OE1 GLU A 77 10.496 -1.484 4.522 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.667 -2.455 2.558 1.00 0.00 O ATOM 0 H GLU A 77 6.254 -2.395 5.140 1.00 0.00 H new ATOM 0 HA GLU A 77 6.656 -4.444 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.489 -3.353 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.043 -4.476 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.204 -2.810 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.956 -1.677 3.962 1.00 0.00 H new ATOM 1163 N LYS A 78 6.856 -5.581 6.552 1.00 0.00 N ATOM 1164 CA LYS A 78 6.812 -6.793 7.361 1.00 0.00 C ATOM 1165 C LYS A 78 5.549 -7.596 7.070 1.00 0.00 C ATOM 1166 O LYS A 78 5.616 -8.783 6.749 1.00 0.00 O ATOM 1167 CB LYS A 78 6.874 -6.440 8.849 1.00 0.00 C ATOM 1168 CG LYS A 78 8.250 -5.997 9.313 1.00 0.00 C ATOM 1169 CD LYS A 78 9.164 -7.186 9.562 1.00 0.00 C ATOM 1170 CE LYS A 78 10.582 -6.741 9.883 1.00 0.00 C ATOM 1171 NZ LYS A 78 11.549 -7.871 9.810 1.00 0.00 N ATOM 0 H LYS A 78 6.884 -4.716 7.091 1.00 0.00 H new ATOM 0 HA LYS A 78 7.677 -7.404 7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.157 -5.645 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.565 -7.307 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.696 -5.345 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.156 -5.412 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.773 -7.781 10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.174 -7.829 8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.884 -5.959 9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.608 -6.305 10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.504 -7.526 10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.276 -8.606 10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.543 -8.271 8.850 1.00 0.00 H new ATOM 1185 N LEU A 79 4.398 -6.942 7.183 1.00 0.00 N ATOM 1186 CA LEU A 79 3.119 -7.595 6.930 1.00 0.00 C ATOM 1187 C LEU A 79 3.189 -8.465 5.679 1.00 0.00 C ATOM 1188 O LEU A 79 2.644 -9.568 5.645 1.00 0.00 O ATOM 1189 CB LEU A 79 2.012 -6.550 6.777 1.00 0.00 C ATOM 1190 CG LEU A 79 1.628 -5.788 8.046 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.449 -4.865 7.778 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.303 -6.758 9.172 1.00 0.00 C ATOM 0 H LEU A 79 4.325 -5.960 7.448 1.00 0.00 H new ATOM 0 HA LEU A 79 2.891 -8.235 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.324 -5.827 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.121 -7.047 6.392 1.00 0.00 H new ATOM 0 HG LEU A 79 2.478 -5.178 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.190 -4.331 8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.717 -4.148 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.406 -5.454 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.032 -6.199 10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.469 -7.394 8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.175 -7.378 9.382 1.00 0.00 H new ATOM 1204 N LYS A 80 3.866 -7.962 4.652 1.00 0.00 N ATOM 1205 CA LYS A 80 4.012 -8.693 3.399 1.00 0.00 C ATOM 1206 C LYS A 80 4.647 -10.059 3.638 1.00 0.00 C ATOM 1207 O LYS A 80 4.005 -11.093 3.451 1.00 0.00 O ATOM 1208 CB LYS A 80 4.861 -7.890 2.412 1.00 0.00 C ATOM 1209 CG LYS A 80 4.209 -6.593 1.963 1.00 0.00 C ATOM 1210 CD LYS A 80 4.687 -6.178 0.582 1.00 0.00 C ATOM 1211 CE LYS A 80 4.557 -4.676 0.376 1.00 0.00 C ATOM 1212 NZ LYS A 80 4.718 -4.297 -1.056 1.00 0.00 N ATOM 0 H LYS A 80 4.323 -7.050 4.663 1.00 0.00 H new ATOM 0 HA LYS A 80 3.019 -8.842 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.822 -7.663 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.065 -8.506 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.126 -6.714 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.435 -5.804 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.727 -6.476 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.107 -6.702 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.582 -4.343 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.308 -4.161 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.623 -3.266 -1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.658 -4.592 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.986 -4.768 -1.624 1.00 0.00 H new ATOM 1226 N GLU A 81 5.910 -10.056 4.052 1.00 0.00 N ATOM 1227 CA GLU A 81 6.630 -11.296 4.316 1.00 0.00 C ATOM 1228 C GLU A 81 5.744 -12.293 5.057 1.00 0.00 C ATOM 1229 O GLU A 81 5.848 -13.503 4.856 1.00 0.00 O ATOM 1230 CB GLU A 81 7.893 -11.015 5.133 1.00 0.00 C ATOM 1231 CG GLU A 81 9.034 -10.438 4.312 1.00 0.00 C ATOM 1232 CD GLU A 81 9.687 -11.472 3.415 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.065 -12.547 3.924 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.819 -11.205 2.202 1.00 0.00 O ATOM 0 H GLU A 81 6.456 -9.209 4.212 1.00 0.00 H new ATOM 0 HA GLU A 81 6.915 -11.731 3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.648 -10.321 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.226 -11.941 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.658 -9.617 3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.784 -10.019 4.983 1.00 0.00 H new ATOM 1241 N TYR A 82 4.871 -11.775 5.915 1.00 0.00 N ATOM 1242 CA TYR A 82 3.968 -12.619 6.689 1.00 0.00 C ATOM 1243 C TYR A 82 2.767 -13.045 5.850 1.00 0.00 C ATOM 1244 O TYR A 82 2.250 -14.152 6.001 1.00 0.00 O ATOM 1245 CB TYR A 82 3.493 -11.879 7.941 1.00 0.00 C ATOM 1246 CG TYR A 82 2.132 -12.323 8.426 1.00 0.00 C ATOM 1247 CD1 TYR A 82 0.970 -11.853 7.826 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.007 -13.214 9.485 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -0.275 -12.255 8.267 1.00 0.00 C ATOM 1250 CE2 TYR A 82 0.765 -13.624 9.932 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.373 -13.141 9.320 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.612 -13.545 9.761 1.00 0.00 O ATOM 0 H TYR A 82 4.770 -10.776 6.092 1.00 0.00 H new ATOM 0 HA TYR A 82 4.514 -13.513 6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.220 -12.028 8.739 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.464 -10.810 7.732 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.042 -11.161 7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.896 -13.593 9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.168 -11.878 7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.686 -14.318 10.755 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.505 -14.170 10.508 1.00 0.00 H new ATOM 1262 N LEU A 83 2.328 -12.157 4.964 1.00 0.00 N ATOM 1263 CA LEU A 83 1.188 -12.439 4.099 1.00 0.00 C ATOM 1264 C LEU A 83 1.552 -13.474 3.039 1.00 0.00 C ATOM 1265 O LEU A 83 0.688 -14.190 2.532 1.00 0.00 O ATOM 1266 CB LEU A 83 0.703 -11.153 3.427 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.043 -10.166 4.326 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.145 -8.805 3.655 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.426 -10.698 4.670 1.00 0.00 C ATOM 0 H LEU A 83 2.744 -11.236 4.826 1.00 0.00 H new ATOM 0 HA LEU A 83 0.386 -12.844 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.566 -10.643 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.049 -11.424 2.598 1.00 0.00 H new ATOM 0 HG LEU A 83 0.520 -10.050 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.679 -8.116 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.856 -8.419 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.685 -8.903 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.942 -9.983 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.998 -10.844 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.330 -11.650 5.193 1.00 0.00 H new ATOM 1281 N LYS A 84 2.837 -13.550 2.710 1.00 0.00 N ATOM 1282 CA LYS A 84 3.318 -14.500 1.714 1.00 0.00 C ATOM 1283 C LYS A 84 3.745 -15.808 2.371 1.00 0.00 C ATOM 1284 O LYS A 84 4.188 -16.737 1.696 1.00 0.00 O ATOM 1285 CB LYS A 84 4.491 -13.902 0.933 1.00 0.00 C ATOM 1286 CG LYS A 84 5.663 -13.498 1.811 1.00 0.00 C ATOM 1287 CD LYS A 84 6.927 -13.294 0.994 1.00 0.00 C ATOM 1288 CE LYS A 84 6.908 -11.961 0.262 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.715 -12.004 -0.989 1.00 0.00 N ATOM 0 H LYS A 84 3.565 -12.964 3.119 1.00 0.00 H new ATOM 0 HA LYS A 84 2.500 -14.710 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.833 -14.628 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.142 -13.028 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.420 -12.578 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.836 -14.266 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.797 -13.338 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.030 -14.105 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.879 -11.693 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.295 -11.181 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.677 -11.077 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.702 -12.234 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.330 -12.731 -1.626 1.00 0.00 H new