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 Single : A 12 SER OG : rot -124:sc= 0.83 USER MOD Single : A 14 ASN : amide:sc= -0.917 K(o=-0.92,f=-0.11) USER MOD Single : A 16 GLN : amide:sc= -0.0507 X(o=-0.051,f=-0.051) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.168 K(o=-0.17,f=-3.3!) USER MOD Single : A 30 LYS NZ :NH3+ -105:sc= -1.22 (180deg=-3.27!) USER MOD Single : A 33 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0445 K(o=-0.044,f=-2.3!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.3!) USER MOD Single : A 43 HIS : no HD1:sc=-0.00959 X(o=-0.0096,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1.3) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.12) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.3 X(o=-2.3,f=-2.7!) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc=-0.00398 (180deg=-0.116) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0919 K(o=-0.092,f=-1.3!) 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 170:sc= -4.84! 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+ 161:sc= 0.47 (180deg=0.297) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -5.979 20.670 5.927 1.00 0.00 N ATOM 120 CA SER A 12 -6.297 20.148 4.603 1.00 0.00 C ATOM 121 C SER A 12 -7.002 18.799 4.706 1.00 0.00 C ATOM 122 O SER A 12 -6.746 18.004 5.611 1.00 0.00 O ATOM 123 CB SER A 12 -5.023 20.008 3.767 1.00 0.00 C ATOM 124 OG SER A 12 -4.586 21.269 3.290 1.00 0.00 O ATOM 0 HA SER A 12 -6.969 20.853 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.237 19.551 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.208 19.341 2.925 1.00 0.00 H new ATOM 0 HG SER A 12 -4.503 21.239 2.314 1.00 0.00 H new ATOM 130 N PRO A 13 -7.911 18.533 3.757 1.00 0.00 N ATOM 131 CA PRO A 13 -8.672 17.281 3.718 1.00 0.00 C ATOM 132 C PRO A 13 -7.800 16.084 3.355 1.00 0.00 C ATOM 133 O PRO A 13 -8.070 14.958 3.770 1.00 0.00 O ATOM 134 CB PRO A 13 -9.715 17.533 2.626 1.00 0.00 C ATOM 135 CG PRO A 13 -9.100 18.567 1.747 1.00 0.00 C ATOM 136 CD PRO A 13 -8.267 19.435 2.649 1.00 0.00 C ATOM 0 HA PRO A 13 -9.102 17.036 4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.935 16.621 2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.656 17.883 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.486 18.106 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.866 19.153 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.381 19.812 2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.826 20.302 3.001 1.00 0.00 H new ATOM 144 N ASN A 14 -6.752 16.335 2.577 1.00 0.00 N ATOM 145 CA ASN A 14 -5.839 15.277 2.158 1.00 0.00 C ATOM 146 C ASN A 14 -5.025 14.761 3.340 1.00 0.00 C ATOM 147 O ASN A 14 -4.742 13.567 3.439 1.00 0.00 O ATOM 148 CB ASN A 14 -4.902 15.788 1.063 1.00 0.00 C ATOM 149 CG ASN A 14 -5.625 16.626 0.026 1.00 0.00 C ATOM 150 OD1 ASN A 14 -6.673 16.231 -0.486 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.068 17.790 -0.288 1.00 0.00 N ATOM 0 H ASN A 14 -6.514 17.262 2.224 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.434 14.453 1.763 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.108 16.382 1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.425 14.940 0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.510 18.397 -0.979 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.199 18.077 0.162 1.00 0.00 H new ATOM 158 N LEU A 15 -4.652 15.669 4.236 1.00 0.00 N ATOM 159 CA LEU A 15 -3.870 15.307 5.413 1.00 0.00 C ATOM 160 C LEU A 15 -4.728 14.555 6.425 1.00 0.00 C ATOM 161 O LEU A 15 -4.436 13.410 6.771 1.00 0.00 O ATOM 162 CB LEU A 15 -3.276 16.559 6.060 1.00 0.00 C ATOM 163 CG LEU A 15 -2.536 16.345 7.381 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.360 15.401 7.188 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.067 17.676 7.951 1.00 0.00 C ATOM 0 H LEU A 15 -4.879 16.661 4.170 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.059 14.652 5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.587 17.018 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.082 17.273 6.230 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.226 15.891 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.846 15.261 8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.722 14.439 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.668 15.826 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.542 17.505 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.394 18.158 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.929 18.320 8.128 1.00 0.00 H new ATOM 177 N GLN A 16 -5.787 15.206 6.895 1.00 0.00 N ATOM 178 CA GLN A 16 -6.688 14.598 7.867 1.00 0.00 C ATOM 179 C GLN A 16 -6.962 13.139 7.517 1.00 0.00 C ATOM 180 O GLN A 16 -6.988 12.273 8.392 1.00 0.00 O ATOM 181 CB GLN A 16 -8.003 15.375 7.931 1.00 0.00 C ATOM 182 CG GLN A 16 -8.897 14.964 9.090 1.00 0.00 C ATOM 183 CD GLN A 16 -8.345 15.394 10.435 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.422 16.566 10.804 1.00 0.00 O ATOM 185 NE2 GLN A 16 -7.784 14.445 11.175 1.00 0.00 N ATOM 0 H GLN A 16 -6.042 16.154 6.619 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.206 14.634 8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.783 16.439 8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.545 15.232 6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.887 15.399 8.952 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.021 13.881 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.742 13.486 10.829 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.395 14.675 12.089 1.00 0.00 H new ATOM 194 N LYS A 17 -7.166 12.873 6.231 1.00 0.00 N ATOM 195 CA LYS A 17 -7.438 11.519 5.764 1.00 0.00 C ATOM 196 C LYS A 17 -6.252 10.600 6.039 1.00 0.00 C ATOM 197 O LYS A 17 -6.427 9.444 6.422 1.00 0.00 O ATOM 198 CB LYS A 17 -7.753 11.528 4.266 1.00 0.00 C ATOM 199 CG LYS A 17 -8.043 10.150 3.697 1.00 0.00 C ATOM 200 CD LYS A 17 -8.886 10.234 2.435 1.00 0.00 C ATOM 201 CE LYS A 17 -9.553 8.904 2.121 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.573 9.035 1.044 1.00 0.00 N ATOM 0 H LYS A 17 -7.148 13.578 5.494 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.303 11.140 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.613 12.174 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.911 11.964 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.104 9.642 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.562 9.549 4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.647 11.005 2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.258 10.534 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.796 8.181 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.025 8.513 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.004 8.107 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.309 9.706 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.119 9.384 0.176 1.00 0.00 H new ATOM 216 N ALA A 18 -5.046 11.123 5.842 1.00 0.00 N ATOM 217 CA ALA A 18 -3.832 10.350 6.073 1.00 0.00 C ATOM 218 C ALA A 18 -3.758 9.861 7.515 1.00 0.00 C ATOM 219 O ALA A 18 -3.377 8.719 7.774 1.00 0.00 O ATOM 220 CB ALA A 18 -2.604 11.183 5.733 1.00 0.00 C ATOM 0 H ALA A 18 -4.884 12.078 5.523 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.858 9.476 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.704 10.594 5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.644 11.479 4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.584 12.074 6.361 1.00 0.00 H new ATOM 226 N ILE A 19 -4.126 10.731 8.450 1.00 0.00 N ATOM 227 CA ILE A 19 -4.101 10.386 9.866 1.00 0.00 C ATOM 228 C ILE A 19 -5.106 9.282 10.180 1.00 0.00 C ATOM 229 O ILE A 19 -4.736 8.206 10.649 1.00 0.00 O ATOM 230 CB ILE A 19 -4.407 11.610 10.749 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.323 12.675 10.575 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.521 11.195 12.209 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.615 13.658 9.464 1.00 0.00 C ATOM 0 H ILE A 19 -4.445 11.680 8.252 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.094 10.032 10.087 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.361 12.035 10.437 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.208 13.221 11.511 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.371 12.184 10.373 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.737 12.071 12.820 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.326 10.468 12.319 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.582 10.748 12.535 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.805 14.384 9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.701 13.123 8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.550 14.177 9.674 1.00 0.00 H new ATOM 245 N ASP A 20 -6.379 9.557 9.917 1.00 0.00 N ATOM 246 CA ASP A 20 -7.438 8.587 10.169 1.00 0.00 C ATOM 247 C ASP A 20 -7.082 7.227 9.575 1.00 0.00 C ATOM 248 O ASP A 20 -7.186 6.199 10.245 1.00 0.00 O ATOM 249 CB ASP A 20 -8.762 9.082 9.585 1.00 0.00 C ATOM 250 CG ASP A 20 -9.964 8.537 10.331 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.885 7.395 10.829 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.985 9.252 10.415 1.00 0.00 O ATOM 0 H ASP A 20 -6.702 10.443 9.530 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.545 8.475 11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.784 10.171 9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.825 8.789 8.537 1.00 0.00 H new ATOM 257 N LEU A 21 -6.664 7.229 8.314 1.00 0.00 N ATOM 258 CA LEU A 21 -6.294 5.996 7.629 1.00 0.00 C ATOM 259 C LEU A 21 -5.225 5.239 8.410 1.00 0.00 C ATOM 260 O LEU A 21 -5.457 4.126 8.881 1.00 0.00 O ATOM 261 CB LEU A 21 -5.788 6.305 6.219 1.00 0.00 C ATOM 262 CG LEU A 21 -6.857 6.664 5.186 1.00 0.00 C ATOM 263 CD1 LEU A 21 -6.221 7.290 3.955 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.664 5.431 4.804 1.00 0.00 C ATOM 0 H LEU A 21 -6.573 8.071 7.745 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.182 5.367 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.080 7.131 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.236 5.439 5.855 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.534 7.394 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.997 7.539 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.688 8.197 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.521 6.584 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.420 5.705 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.000 4.679 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.151 5.026 5.691 1.00 0.00 H new ATOM 276 N ALA A 22 -4.053 5.851 8.545 1.00 0.00 N ATOM 277 CA ALA A 22 -2.949 5.237 9.273 1.00 0.00 C ATOM 278 C ALA A 22 -3.424 4.654 10.600 1.00 0.00 C ATOM 279 O ALA A 22 -2.980 3.582 11.012 1.00 0.00 O ATOM 280 CB ALA A 22 -1.841 6.253 9.507 1.00 0.00 C ATOM 0 H ALA A 22 -3.843 6.772 8.160 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.556 4.421 8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.023 5.781 10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.475 6.619 8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.230 7.088 10.089 1.00 0.00 H new ATOM 286 N SER A 23 -4.329 5.365 11.264 1.00 0.00 N ATOM 287 CA SER A 23 -4.860 4.920 12.547 1.00 0.00 C ATOM 288 C SER A 23 -5.619 3.605 12.394 1.00 0.00 C ATOM 289 O SER A 23 -5.411 2.662 13.157 1.00 0.00 O ATOM 290 CB SER A 23 -5.782 5.988 13.139 1.00 0.00 C ATOM 291 OG SER A 23 -5.981 5.777 14.526 1.00 0.00 O ATOM 0 H SER A 23 -4.710 6.252 10.935 1.00 0.00 H new ATOM 0 HA SER A 23 -4.021 4.759 13.224 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.351 6.976 12.976 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.742 5.970 12.624 1.00 0.00 H new ATOM 0 HG SER A 23 -6.572 6.473 14.881 1.00 0.00 H new ATOM 297 N LYS A 24 -6.501 3.550 11.401 1.00 0.00 N ATOM 298 CA LYS A 24 -7.291 2.352 11.144 1.00 0.00 C ATOM 299 C LYS A 24 -6.391 1.131 10.987 1.00 0.00 C ATOM 300 O LYS A 24 -6.654 0.077 11.566 1.00 0.00 O ATOM 301 CB LYS A 24 -8.142 2.538 9.886 1.00 0.00 C ATOM 302 CG LYS A 24 -9.426 1.726 9.895 1.00 0.00 C ATOM 303 CD LYS A 24 -10.305 2.061 8.702 1.00 0.00 C ATOM 304 CE LYS A 24 -11.302 0.948 8.415 1.00 0.00 C ATOM 305 NZ LYS A 24 -11.884 1.064 7.049 1.00 0.00 N ATOM 0 H LYS A 24 -6.686 4.322 10.761 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.948 2.189 11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.390 3.594 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.551 2.259 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.186 0.663 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.974 1.919 10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.841 2.991 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.681 2.227 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.808 -0.018 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.102 0.977 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.558 0.288 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.377 1.975 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.123 1.010 6.342 1.00 0.00 H new ATOM 319 N ALA A 25 -5.330 1.280 10.202 1.00 0.00 N ATOM 320 CA ALA A 25 -4.390 0.190 9.971 1.00 0.00 C ATOM 321 C ALA A 25 -4.096 -0.563 11.264 1.00 0.00 C ATOM 322 O ALA A 25 -4.335 -1.766 11.361 1.00 0.00 O ATOM 323 CB ALA A 25 -3.101 0.724 9.364 1.00 0.00 C ATOM 0 H ALA A 25 -5.099 2.146 9.715 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.846 -0.508 9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.408 -0.101 9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.321 1.211 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.649 1.445 10.046 1.00 0.00 H new ATOM 329 N ALA A 26 -3.575 0.153 12.255 1.00 0.00 N ATOM 330 CA ALA A 26 -3.249 -0.448 13.543 1.00 0.00 C ATOM 331 C ALA A 26 -4.416 -1.274 14.074 1.00 0.00 C ATOM 332 O ALA A 26 -4.269 -2.463 14.355 1.00 0.00 O ATOM 333 CB ALA A 26 -2.863 0.629 14.546 1.00 0.00 C ATOM 0 H ALA A 26 -3.370 1.150 12.191 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.400 -1.116 13.400 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.622 0.166 15.503 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.994 1.174 14.178 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.696 1.320 14.677 1.00 0.00 H new ATOM 339 N GLN A 27 -5.574 -0.636 14.209 1.00 0.00 N ATOM 340 CA GLN A 27 -6.765 -1.312 14.708 1.00 0.00 C ATOM 341 C GLN A 27 -6.890 -2.709 14.107 1.00 0.00 C ATOM 342 O GLN A 27 -7.031 -3.695 14.830 1.00 0.00 O ATOM 343 CB GLN A 27 -8.016 -0.493 14.386 1.00 0.00 C ATOM 344 CG GLN A 27 -8.012 0.893 15.010 1.00 0.00 C ATOM 345 CD GLN A 27 -8.415 0.876 16.472 1.00 0.00 C ATOM 346 OE1 GLN A 27 -8.183 -0.105 17.180 1.00 0.00 O ATOM 347 NE2 GLN A 27 -9.021 1.964 16.932 1.00 0.00 N ATOM 0 H GLN A 27 -5.713 0.348 13.980 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.671 -1.408 15.790 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.108 -0.395 13.304 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.895 -1.036 14.733 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.016 1.327 14.917 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.694 1.539 14.457 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.193 2.754 16.310 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.315 2.010 17.908 1.00 0.00 H new ATOM 356 N GLU A 28 -6.837 -2.784 12.781 1.00 0.00 N ATOM 357 CA GLU A 28 -6.945 -4.061 12.084 1.00 0.00 C ATOM 358 C GLU A 28 -5.865 -5.030 12.554 1.00 0.00 C ATOM 359 O GLU A 28 -6.150 -6.181 12.886 1.00 0.00 O ATOM 360 CB GLU A 28 -6.837 -3.853 10.572 1.00 0.00 C ATOM 361 CG GLU A 28 -7.980 -3.041 9.986 1.00 0.00 C ATOM 362 CD GLU A 28 -9.318 -3.745 10.108 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.615 -4.608 9.255 1.00 0.00 O ATOM 364 OE2 GLU A 28 -10.068 -3.434 11.057 1.00 0.00 O ATOM 0 H GLU A 28 -6.720 -1.977 12.168 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.920 -4.491 12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.895 -3.352 10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.805 -4.826 10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.033 -2.077 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.775 -2.838 8.935 1.00 0.00 H new ATOM 371 N ASP A 29 -4.624 -4.557 12.578 1.00 0.00 N ATOM 372 CA ASP A 29 -3.499 -5.381 13.007 1.00 0.00 C ATOM 373 C ASP A 29 -3.818 -6.096 14.316 1.00 0.00 C ATOM 374 O ASP A 29 -3.834 -7.326 14.377 1.00 0.00 O ATOM 375 CB ASP A 29 -2.245 -4.522 13.174 1.00 0.00 C ATOM 376 CG ASP A 29 -1.099 -5.287 13.806 1.00 0.00 C ATOM 377 OD1 ASP A 29 -1.288 -5.828 14.915 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.013 -5.344 13.192 1.00 0.00 O ATOM 0 H ASP A 29 -4.371 -3.607 12.305 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.316 -6.132 12.238 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.933 -4.146 12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.482 -3.654 13.790 1.00 0.00 H new ATOM 383 N LYS A 30 -4.071 -5.318 15.364 1.00 0.00 N ATOM 384 CA LYS A 30 -4.389 -5.876 16.673 1.00 0.00 C ATOM 385 C LYS A 30 -5.520 -6.895 16.569 1.00 0.00 C ATOM 386 O LYS A 30 -5.444 -7.980 17.144 1.00 0.00 O ATOM 387 CB LYS A 30 -4.781 -4.760 17.644 1.00 0.00 C ATOM 388 CG LYS A 30 -4.990 -5.240 19.069 1.00 0.00 C ATOM 389 CD LYS A 30 -6.429 -5.666 19.309 1.00 0.00 C ATOM 390 CE LYS A 30 -7.359 -4.466 19.392 1.00 0.00 C ATOM 391 NZ LYS A 30 -7.906 -4.095 18.057 1.00 0.00 N ATOM 0 H LYS A 30 -4.062 -4.299 15.332 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.501 -6.382 17.051 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.005 -3.995 17.637 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.697 -4.287 17.291 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.323 -6.077 19.273 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.724 -4.444 19.765 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.754 -6.324 18.503 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.490 -6.240 20.234 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.181 -4.690 20.072 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.820 -3.617 19.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.428 -3.238 17.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.746 -4.875 17.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.927 -3.913 18.139 1.00 0.00 H new ATOM 405 N ALA A 31 -6.567 -6.537 15.833 1.00 0.00 N ATOM 406 CA ALA A 31 -7.711 -7.422 15.651 1.00 0.00 C ATOM 407 C ALA A 31 -7.298 -8.720 14.966 1.00 0.00 C ATOM 408 O ALA A 31 -7.885 -9.774 15.207 1.00 0.00 O ATOM 409 CB ALA A 31 -8.798 -6.722 14.849 1.00 0.00 C ATOM 0 H ALA A 31 -6.647 -5.640 15.353 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.106 -7.672 16.636 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.646 -7.395 14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.122 -5.827 15.379 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.406 -6.442 13.871 1.00 0.00 H new ATOM 415 N GLY A 32 -6.284 -8.636 14.111 1.00 0.00 N ATOM 416 CA GLY A 32 -5.811 -9.812 13.403 1.00 0.00 C ATOM 417 C GLY A 32 -5.831 -9.630 11.899 1.00 0.00 C ATOM 418 O GLY A 32 -5.417 -10.518 11.154 1.00 0.00 O ATOM 0 H GLY A 32 -5.781 -7.775 13.896 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.795 -10.042 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.431 -10.667 13.671 1.00 0.00 H new ATOM 422 N ASN A 33 -6.316 -8.477 11.450 1.00 0.00 N ATOM 423 CA ASN A 33 -6.390 -8.183 10.023 1.00 0.00 C ATOM 424 C ASN A 33 -5.084 -7.571 9.525 1.00 0.00 C ATOM 425 O ASN A 33 -4.793 -6.404 9.789 1.00 0.00 O ATOM 426 CB ASN A 33 -7.554 -7.231 9.738 1.00 0.00 C ATOM 427 CG ASN A 33 -8.857 -7.967 9.497 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.875 -9.040 8.893 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.957 -7.393 9.969 1.00 0.00 N ATOM 0 H ASN A 33 -6.663 -7.731 12.053 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.557 -9.120 9.492 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.676 -6.548 10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.317 -6.623 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.863 -7.842 9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.896 -6.503 10.464 1.00 0.00 H new ATOM 436 N TYR A 34 -4.303 -8.366 8.803 1.00 0.00 N ATOM 437 CA TYR A 34 -3.027 -7.904 8.269 1.00 0.00 C ATOM 438 C TYR A 34 -3.182 -7.418 6.831 1.00 0.00 C ATOM 439 O TYR A 34 -2.618 -6.394 6.447 1.00 0.00 O ATOM 440 CB TYR A 34 -1.988 -9.025 8.331 1.00 0.00 C ATOM 441 CG TYR A 34 -1.412 -9.241 9.712 1.00 0.00 C ATOM 442 CD1 TYR A 34 -2.144 -8.923 10.849 1.00 0.00 C ATOM 443 CD2 TYR A 34 -0.134 -9.762 9.880 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.621 -9.117 12.113 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.396 -9.961 11.139 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.351 -9.637 12.253 1.00 0.00 C ATOM 447 OH TYR A 34 0.175 -9.833 13.510 1.00 0.00 O ATOM 0 H TYR A 34 -4.531 -9.333 8.574 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.687 -7.069 8.881 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.446 -9.953 7.988 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.177 -8.796 7.640 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.139 -8.517 10.743 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.454 -10.015 9.010 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.203 -8.863 12.986 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.390 -10.368 11.251 1.00 0.00 H new ATOM 0 HH TYR A 34 1.078 -10.207 13.432 1.00 0.00 H new ATOM 457 N GLU A 35 -3.952 -8.161 6.042 1.00 0.00 N ATOM 458 CA GLU A 35 -4.182 -7.807 4.647 1.00 0.00 C ATOM 459 C GLU A 35 -4.791 -6.412 4.533 1.00 0.00 C ATOM 460 O GLU A 35 -4.390 -5.616 3.685 1.00 0.00 O ATOM 461 CB GLU A 35 -5.101 -8.833 3.981 1.00 0.00 C ATOM 462 CG GLU A 35 -5.196 -8.677 2.473 1.00 0.00 C ATOM 463 CD GLU A 35 -6.238 -7.656 2.057 1.00 0.00 C ATOM 464 OE1 GLU A 35 -7.251 -7.516 2.772 1.00 0.00 O ATOM 465 OE2 GLU A 35 -6.038 -6.997 1.014 1.00 0.00 O ATOM 0 H GLU A 35 -4.427 -9.011 6.345 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.219 -7.807 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.740 -9.835 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.099 -8.747 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.224 -8.379 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.439 -9.641 2.026 1.00 0.00 H new ATOM 472 N GLU A 36 -5.763 -6.126 5.393 1.00 0.00 N ATOM 473 CA GLU A 36 -6.429 -4.829 5.388 1.00 0.00 C ATOM 474 C GLU A 36 -5.516 -3.746 5.957 1.00 0.00 C ATOM 475 O GLU A 36 -5.413 -2.652 5.402 1.00 0.00 O ATOM 476 CB GLU A 36 -7.727 -4.893 6.197 1.00 0.00 C ATOM 477 CG GLU A 36 -8.778 -3.896 5.741 1.00 0.00 C ATOM 478 CD GLU A 36 -9.621 -4.420 4.595 1.00 0.00 C ATOM 479 OE1 GLU A 36 -10.422 -5.351 4.823 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.480 -3.899 3.469 1.00 0.00 O ATOM 0 H GLU A 36 -6.107 -6.774 6.102 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.665 -4.576 4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.139 -5.900 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.500 -4.713 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.427 -3.648 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.288 -2.972 5.434 1.00 0.00 H new ATOM 487 N ALA A 37 -4.856 -4.060 7.066 1.00 0.00 N ATOM 488 CA ALA A 37 -3.950 -3.116 7.710 1.00 0.00 C ATOM 489 C ALA A 37 -2.863 -2.654 6.745 1.00 0.00 C ATOM 490 O ALA A 37 -2.482 -1.483 6.738 1.00 0.00 O ATOM 491 CB ALA A 37 -3.328 -3.742 8.949 1.00 0.00 C ATOM 0 H ALA A 37 -4.931 -4.961 7.538 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.528 -2.242 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.654 -3.026 9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.115 -4.016 9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.769 -4.633 8.665 1.00 0.00 H new ATOM 497 N LEU A 38 -2.367 -3.580 5.933 1.00 0.00 N ATOM 498 CA LEU A 38 -1.323 -3.268 4.963 1.00 0.00 C ATOM 499 C LEU A 38 -1.777 -2.170 4.008 1.00 0.00 C ATOM 500 O LEU A 38 -1.154 -1.112 3.922 1.00 0.00 O ATOM 501 CB LEU A 38 -0.941 -4.521 4.174 1.00 0.00 C ATOM 502 CG LEU A 38 0.009 -4.308 2.995 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.404 -3.959 3.489 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.048 -5.547 2.111 1.00 0.00 C ATOM 0 H LEU A 38 -2.671 -4.554 5.927 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.450 -2.910 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.482 -5.232 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.855 -4.983 3.800 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.362 -3.473 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.066 -3.811 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.363 -3.043 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.785 -4.772 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.729 -5.378 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.394 -6.400 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.951 -5.752 1.727 1.00 0.00 H new ATOM 516 N GLN A 39 -2.868 -2.428 3.293 1.00 0.00 N ATOM 517 CA GLN A 39 -3.406 -1.461 2.345 1.00 0.00 C ATOM 518 C GLN A 39 -3.514 -0.078 2.979 1.00 0.00 C ATOM 519 O GLN A 39 -3.042 0.912 2.419 1.00 0.00 O ATOM 520 CB GLN A 39 -4.779 -1.914 1.845 1.00 0.00 C ATOM 521 CG GLN A 39 -4.712 -2.869 0.664 1.00 0.00 C ATOM 522 CD GLN A 39 -4.544 -2.149 -0.659 1.00 0.00 C ATOM 523 OE1 GLN A 39 -3.645 -1.323 -0.820 1.00 0.00 O ATOM 524 NE2 GLN A 39 -5.411 -2.460 -1.616 1.00 0.00 N ATOM 0 H GLN A 39 -3.396 -3.299 3.353 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.721 -1.400 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.313 -2.398 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.360 -1.037 1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.880 -3.559 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.622 -3.469 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.140 -3.151 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.347 -2.008 -2.528 1.00 0.00 H new ATOM 533 N LEU A 40 -4.137 -0.017 4.151 1.00 0.00 N ATOM 534 CA LEU A 40 -4.307 1.245 4.863 1.00 0.00 C ATOM 535 C LEU A 40 -2.955 1.875 5.183 1.00 0.00 C ATOM 536 O LEU A 40 -2.779 3.088 5.058 1.00 0.00 O ATOM 537 CB LEU A 40 -5.097 1.022 6.153 1.00 0.00 C ATOM 538 CG LEU A 40 -6.583 0.703 5.984 1.00 0.00 C ATOM 539 CD1 LEU A 40 -7.126 0.014 7.226 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.371 1.971 5.688 1.00 0.00 C ATOM 0 H LEU A 40 -4.533 -0.827 4.628 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.861 1.927 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.631 0.205 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.006 1.916 6.770 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.695 0.024 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.185 -0.205 7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.582 -0.916 7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.001 0.668 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.426 1.725 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.252 2.674 6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.000 2.424 4.769 1.00 0.00 H new ATOM 552 N TYR A 41 -2.004 1.045 5.595 1.00 0.00 N ATOM 553 CA TYR A 41 -0.668 1.522 5.933 1.00 0.00 C ATOM 554 C TYR A 41 -0.017 2.213 4.739 1.00 0.00 C ATOM 555 O TYR A 41 0.696 3.204 4.895 1.00 0.00 O ATOM 556 CB TYR A 41 0.208 0.359 6.402 1.00 0.00 C ATOM 557 CG TYR A 41 0.092 0.073 7.883 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.156 1.101 8.815 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.079 -1.225 8.348 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.052 0.844 10.169 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.186 -1.490 9.700 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.119 -0.452 10.606 1.00 0.00 C ATOM 563 OH TYR A 41 -0.224 -0.713 11.953 1.00 0.00 O ATOM 0 H TYR A 41 -2.133 0.039 5.703 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.763 2.247 6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.064 -0.538 5.845 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.248 0.579 6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.289 2.118 8.476 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.129 -2.040 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.104 1.654 10.881 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.321 -2.504 10.045 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.342 -1.676 12.091 1.00 0.00 H new ATOM 573 N GLN A 42 -0.269 1.682 3.547 1.00 0.00 N ATOM 574 CA GLN A 42 0.291 2.248 2.325 1.00 0.00 C ATOM 575 C GLN A 42 -0.381 3.572 1.979 1.00 0.00 C ATOM 576 O GLN A 42 0.285 4.544 1.621 1.00 0.00 O ATOM 577 CB GLN A 42 0.134 1.264 1.164 1.00 0.00 C ATOM 578 CG GLN A 42 0.864 -0.052 1.379 1.00 0.00 C ATOM 579 CD GLN A 42 1.255 -0.722 0.076 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.570 -0.054 -0.909 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.236 -2.050 0.065 1.00 0.00 N ATOM 0 H GLN A 42 -0.857 0.861 3.401 1.00 0.00 H new ATOM 0 HA GLN A 42 1.352 2.434 2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.926 1.061 1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.504 1.730 0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.759 0.127 1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.229 -0.726 1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.968 -2.563 0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.489 -2.557 -0.783 1.00 0.00 H new ATOM 590 N HIS A 43 -1.706 3.604 2.089 1.00 0.00 N ATOM 591 CA HIS A 43 -2.469 4.810 1.788 1.00 0.00 C ATOM 592 C HIS A 43 -2.050 5.960 2.700 1.00 0.00 C ATOM 593 O HIS A 43 -1.614 7.010 2.230 1.00 0.00 O ATOM 594 CB HIS A 43 -3.966 4.543 1.941 1.00 0.00 C ATOM 595 CG HIS A 43 -4.587 3.904 0.736 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.889 4.602 -0.414 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.960 2.623 0.507 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.423 3.779 -1.298 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.477 2.572 -0.764 1.00 0.00 N ATOM 0 H HIS A 43 -2.273 2.809 2.384 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.261 5.093 0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.125 3.899 2.806 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.476 5.485 2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.868 1.796 1.195 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.758 4.047 -2.289 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.843 1.737 -1.222 1.00 0.00 H new ATOM 608 N ALA A 44 -2.186 5.753 4.006 1.00 0.00 N ATOM 609 CA ALA A 44 -1.820 6.771 4.982 1.00 0.00 C ATOM 610 C ALA A 44 -0.604 7.565 4.519 1.00 0.00 C ATOM 611 O ALA A 44 -0.606 8.796 4.545 1.00 0.00 O ATOM 612 CB ALA A 44 -1.551 6.131 6.336 1.00 0.00 C ATOM 0 H ALA A 44 -2.547 4.890 4.412 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.657 7.463 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.279 6.903 7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.448 5.615 6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.734 5.416 6.244 1.00 0.00 H new ATOM 618 N VAL A 45 0.436 6.853 4.095 1.00 0.00 N ATOM 619 CA VAL A 45 1.659 7.491 3.625 1.00 0.00 C ATOM 620 C VAL A 45 1.416 8.261 2.332 1.00 0.00 C ATOM 621 O VAL A 45 1.802 9.423 2.208 1.00 0.00 O ATOM 622 CB VAL A 45 2.778 6.458 3.392 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.042 7.142 2.895 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.052 5.674 4.667 1.00 0.00 C ATOM 0 H VAL A 45 0.455 5.834 4.068 1.00 0.00 H new ATOM 0 HA VAL A 45 1.973 8.186 4.404 1.00 0.00 H new ATOM 0 HB VAL A 45 2.448 5.757 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.821 6.396 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.833 7.654 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.379 7.867 3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.845 4.949 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.361 6.359 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.146 5.152 4.975 1.00 0.00 H new ATOM 634 N GLN A 46 0.773 7.605 1.372 1.00 0.00 N ATOM 635 CA GLN A 46 0.478 8.228 0.087 1.00 0.00 C ATOM 636 C GLN A 46 -0.085 9.633 0.280 1.00 0.00 C ATOM 637 O GLN A 46 0.322 10.574 -0.402 1.00 0.00 O ATOM 638 CB GLN A 46 -0.514 7.373 -0.703 1.00 0.00 C ATOM 639 CG GLN A 46 0.094 6.096 -1.262 1.00 0.00 C ATOM 640 CD GLN A 46 0.859 6.329 -2.550 1.00 0.00 C ATOM 641 OE1 GLN A 46 0.988 7.462 -3.012 1.00 0.00 O ATOM 642 NE2 GLN A 46 1.371 5.253 -3.137 1.00 0.00 N ATOM 0 H GLN A 46 0.446 6.643 1.459 1.00 0.00 H new ATOM 0 HA GLN A 46 1.409 8.303 -0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.353 7.114 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.916 7.964 -1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.764 5.662 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.698 5.369 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.239 4.332 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.896 5.347 -4.007 1.00 0.00 H new ATOM 651 N TYR A 47 -1.022 9.766 1.211 1.00 0.00 N ATOM 652 CA TYR A 47 -1.642 11.056 1.492 1.00 0.00 C ATOM 653 C TYR A 47 -0.669 11.984 2.211 1.00 0.00 C ATOM 654 O TYR A 47 -0.507 13.145 1.836 1.00 0.00 O ATOM 655 CB TYR A 47 -2.903 10.866 2.337 1.00 0.00 C ATOM 656 CG TYR A 47 -4.045 10.222 1.585 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.883 10.978 0.775 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.288 8.857 1.685 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.929 10.395 0.086 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.330 8.265 0.998 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.148 9.038 0.201 1.00 0.00 C ATOM 662 OH TYR A 47 -7.188 8.452 -0.483 1.00 0.00 O ATOM 0 H TYR A 47 -1.369 8.997 1.784 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.915 11.514 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.659 10.253 3.205 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.228 11.836 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.714 12.041 0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.651 8.249 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.571 10.998 -0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.503 7.202 1.085 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.203 7.490 -0.294 1.00 0.00 H new ATOM 672 N PHE A 48 -0.021 11.463 3.248 1.00 0.00 N ATOM 673 CA PHE A 48 0.937 12.243 4.022 1.00 0.00 C ATOM 674 C PHE A 48 1.943 12.933 3.105 1.00 0.00 C ATOM 675 O PHE A 48 2.231 14.120 3.262 1.00 0.00 O ATOM 676 CB PHE A 48 1.672 11.345 5.019 1.00 0.00 C ATOM 677 CG PHE A 48 0.895 11.088 6.279 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.292 12.132 6.962 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.770 9.803 6.782 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.424 11.900 8.121 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.055 9.565 7.940 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.541 10.614 8.612 1.00 0.00 C ATOM 0 H PHE A 48 -0.142 10.503 3.572 1.00 0.00 H new ATOM 0 HA PHE A 48 0.386 13.008 4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.898 10.392 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.625 11.806 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.383 13.140 6.584 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.237 8.979 6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.891 12.723 8.642 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.038 8.558 8.320 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.097 10.429 9.519 1.00 0.00 H new ATOM 692 N LEU A 49 2.475 12.181 2.148 1.00 0.00 N ATOM 693 CA LEU A 49 3.449 12.719 1.205 1.00 0.00 C ATOM 694 C LEU A 49 2.811 13.767 0.300 1.00 0.00 C ATOM 695 O LEU A 49 3.179 14.942 0.337 1.00 0.00 O ATOM 696 CB LEU A 49 4.045 11.592 0.359 1.00 0.00 C ATOM 697 CG LEU A 49 4.943 10.600 1.098 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.230 9.387 0.226 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.241 11.271 1.524 1.00 0.00 C ATOM 0 H LEU A 49 2.248 11.197 2.005 1.00 0.00 H new ATOM 0 HA LEU A 49 4.245 13.197 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.226 11.038 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.621 12.039 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 49 4.420 10.263 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.871 8.692 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.293 8.893 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.733 9.706 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.868 10.550 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.768 11.637 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.018 12.107 2.186 1.00 0.00 H new ATOM 711 N HIS A 50 1.850 13.335 -0.511 1.00 0.00 N ATOM 712 CA HIS A 50 1.157 14.238 -1.424 1.00 0.00 C ATOM 713 C HIS A 50 0.932 15.600 -0.775 1.00 0.00 C ATOM 714 O HIS A 50 0.967 16.632 -1.445 1.00 0.00 O ATOM 715 CB HIS A 50 -0.182 13.636 -1.852 1.00 0.00 C ATOM 716 CG HIS A 50 -0.724 14.220 -3.120 1.00 0.00 C ATOM 717 ND1 HIS A 50 0.007 14.295 -4.287 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.933 14.759 -3.400 1.00 0.00 C ATOM 719 CE1 HIS A 50 -0.729 14.855 -5.229 1.00 0.00 C ATOM 720 NE2 HIS A 50 -1.911 15.146 -4.717 1.00 0.00 N ATOM 0 H HIS A 50 1.534 12.366 -0.555 1.00 0.00 H new ATOM 0 HA HIS A 50 1.783 14.375 -2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.063 12.560 -1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.909 13.784 -1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.761 14.865 -2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.417 15.043 -6.246 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.682 15.587 -5.218 1.00 0.00 H new ATOM 729 N VAL A 51 0.699 15.595 0.534 1.00 0.00 N ATOM 730 CA VAL A 51 0.468 16.830 1.274 1.00 0.00 C ATOM 731 C VAL A 51 1.762 17.617 1.447 1.00 0.00 C ATOM 732 O VAL A 51 1.792 18.833 1.258 1.00 0.00 O ATOM 733 CB VAL A 51 -0.137 16.548 2.662 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.357 17.846 3.423 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.439 15.772 2.527 1.00 0.00 C ATOM 0 H VAL A 51 0.665 14.749 1.104 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.238 17.421 0.691 1.00 0.00 H new ATOM 0 HB VAL A 51 0.566 15.938 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.785 17.626 4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.596 18.359 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.040 18.485 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.853 15.581 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.151 16.355 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.247 14.824 2.025 1.00 0.00 H new ATOM 745 N VAL A 52 2.832 16.915 1.808 1.00 0.00 N ATOM 746 CA VAL A 52 4.131 17.548 2.005 1.00 0.00 C ATOM 747 C VAL A 52 4.773 17.912 0.671 1.00 0.00 C ATOM 748 O VAL A 52 5.814 18.567 0.628 1.00 0.00 O ATOM 749 CB VAL A 52 5.088 16.632 2.790 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.519 17.135 2.679 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.659 16.536 4.246 1.00 0.00 C ATOM 0 H VAL A 52 2.825 15.908 1.970 1.00 0.00 H new ATOM 0 HA VAL A 52 3.956 18.457 2.581 1.00 0.00 H new ATOM 0 HB VAL A 52 5.045 15.633 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.181 16.475 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.820 17.146 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.583 18.144 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.347 15.885 4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.672 17.529 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.651 16.125 4.302 1.00 0.00 H new ATOM 761 N LYS A 53 4.145 17.482 -0.419 1.00 0.00 N ATOM 762 CA LYS A 53 4.653 17.764 -1.756 1.00 0.00 C ATOM 763 C LYS A 53 4.034 19.041 -2.315 1.00 0.00 C ATOM 764 O LYS A 53 4.731 19.880 -2.887 1.00 0.00 O ATOM 765 CB LYS A 53 4.359 16.590 -2.693 1.00 0.00 C ATOM 766 CG LYS A 53 5.328 16.483 -3.857 1.00 0.00 C ATOM 767 CD LYS A 53 5.194 15.150 -4.574 1.00 0.00 C ATOM 768 CE LYS A 53 5.944 15.151 -5.898 1.00 0.00 C ATOM 769 NZ LYS A 53 7.372 14.766 -5.726 1.00 0.00 N ATOM 0 H LYS A 53 3.283 16.937 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 53 5.732 17.904 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.388 15.663 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.346 16.692 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.144 17.295 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.349 16.601 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.578 14.353 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.140 14.936 -4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.462 14.459 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.887 16.142 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.849 14.779 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.839 15.440 -5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.427 13.810 -5.321 1.00 0.00 H new ATOM 783 N TYR A 54 2.725 19.182 -2.146 1.00 0.00 N ATOM 784 CA TYR A 54 2.013 20.357 -2.635 1.00 0.00 C ATOM 785 C TYR A 54 1.400 21.142 -1.479 1.00 0.00 C ATOM 786 O TYR A 54 1.684 22.326 -1.300 1.00 0.00 O ATOM 787 CB TYR A 54 0.920 19.943 -3.622 1.00 0.00 C ATOM 788 CG TYR A 54 1.430 19.112 -4.777 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.590 17.737 -4.652 1.00 0.00 C ATOM 790 CD2 TYR A 54 1.754 19.701 -5.993 1.00 0.00 C ATOM 791 CE1 TYR A 54 2.057 16.974 -5.704 1.00 0.00 C ATOM 792 CE2 TYR A 54 2.220 18.945 -7.051 1.00 0.00 C ATOM 793 CZ TYR A 54 2.370 17.582 -6.902 1.00 0.00 C ATOM 794 OH TYR A 54 2.835 16.826 -7.953 1.00 0.00 O ATOM 0 H TYR A 54 2.134 18.497 -1.674 1.00 0.00 H new ATOM 0 HA TYR A 54 2.730 20.999 -3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.156 19.378 -3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.439 20.839 -4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.345 17.257 -3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.640 20.768 -6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.177 15.907 -5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.466 19.419 -7.990 1.00 0.00 H new ATOM 0 HH TYR A 54 3.007 17.407 -8.723 1.00 0.00 H new ATOM 804 N GLU A 55 0.557 20.473 -0.699 1.00 0.00 N ATOM 805 CA GLU A 55 -0.097 21.108 0.439 1.00 0.00 C ATOM 806 C GLU A 55 0.841 21.167 1.642 1.00 0.00 C ATOM 807 O GLU A 55 0.435 20.896 2.772 1.00 0.00 O ATOM 808 CB GLU A 55 -1.373 20.351 0.810 1.00 0.00 C ATOM 809 CG GLU A 55 -2.436 20.379 -0.276 1.00 0.00 C ATOM 810 CD GLU A 55 -3.228 21.672 -0.283 1.00 0.00 C ATOM 811 OE1 GLU A 55 -4.164 21.797 0.535 1.00 0.00 O ATOM 812 OE2 GLU A 55 -2.914 22.557 -1.105 1.00 0.00 O ATOM 0 H GLU A 55 0.311 19.492 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.358 22.127 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.119 19.314 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.787 20.779 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.961 20.243 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.118 19.540 -0.134 1.00 0.00 H new ATOM 819 N ALA A 56 2.096 21.523 1.390 1.00 0.00 N ATOM 820 CA ALA A 56 3.091 21.619 2.450 1.00 0.00 C ATOM 821 C ALA A 56 2.620 22.552 3.562 1.00 0.00 C ATOM 822 O ALA A 56 1.603 23.230 3.424 1.00 0.00 O ATOM 823 CB ALA A 56 4.420 22.097 1.886 1.00 0.00 C ATOM 0 H ALA A 56 2.448 21.750 0.460 1.00 0.00 H new ATOM 0 HA ALA A 56 3.227 20.625 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.153 22.164 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.770 21.391 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.290 23.079 1.431 1.00 0.00 H new ATOM 829 N GLN A 57 3.366 22.578 4.661 1.00 0.00 N ATOM 830 CA GLN A 57 3.023 23.427 5.796 1.00 0.00 C ATOM 831 C GLN A 57 4.254 24.162 6.318 1.00 0.00 C ATOM 832 O GLN A 57 4.276 25.390 6.377 1.00 0.00 O ATOM 833 CB GLN A 57 2.402 22.590 6.916 1.00 0.00 C ATOM 834 CG GLN A 57 2.917 21.161 6.965 1.00 0.00 C ATOM 835 CD GLN A 57 2.018 20.244 7.771 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.928 20.362 8.994 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.347 19.323 7.090 1.00 0.00 N ATOM 0 H GLN A 57 4.211 22.022 4.790 1.00 0.00 H new ATOM 0 HA GLN A 57 2.297 24.166 5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.602 23.073 7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.320 22.573 6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.006 20.776 5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.918 21.154 7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.451 19.261 6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.727 18.678 7.579 1.00 0.00 H new ATOM 846 N GLY A 58 5.276 23.400 6.696 1.00 0.00 N ATOM 847 CA GLY A 58 6.496 23.997 7.208 1.00 0.00 C ATOM 848 C GLY A 58 7.603 22.980 7.398 1.00 0.00 C ATOM 849 O GLY A 58 7.392 21.781 7.217 1.00 0.00 O ATOM 0 H GLY A 58 5.281 22.381 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.833 24.773 6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.287 24.484 8.160 1.00 0.00 H new ATOM 853 N ASP A 59 8.788 23.459 7.762 1.00 0.00 N ATOM 854 CA ASP A 59 9.934 22.583 7.975 1.00 0.00 C ATOM 855 C ASP A 59 9.700 21.664 9.170 1.00 0.00 C ATOM 856 O ASP A 59 9.672 20.441 9.031 1.00 0.00 O ATOM 857 CB ASP A 59 11.202 23.410 8.193 1.00 0.00 C ATOM 858 CG ASP A 59 12.464 22.583 8.048 1.00 0.00 C ATOM 859 OD1 ASP A 59 12.614 21.593 8.794 1.00 0.00 O ATOM 860 OD2 ASP A 59 13.303 22.926 7.189 1.00 0.00 O ATOM 0 H ASP A 59 8.980 24.449 7.916 1.00 0.00 H new ATOM 0 HA ASP A 59 10.060 21.967 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.225 24.231 7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.175 23.856 9.187 1.00 0.00 H new ATOM 865 N LYS A 60 9.534 22.261 10.345 1.00 0.00 N ATOM 866 CA LYS A 60 9.303 21.497 11.566 1.00 0.00 C ATOM 867 C LYS A 60 8.184 20.479 11.367 1.00 0.00 C ATOM 868 O LYS A 60 8.204 19.399 11.957 1.00 0.00 O ATOM 869 CB LYS A 60 8.951 22.438 12.721 1.00 0.00 C ATOM 870 CG LYS A 60 10.138 23.228 13.245 1.00 0.00 C ATOM 871 CD LYS A 60 9.798 23.953 14.537 1.00 0.00 C ATOM 872 CE LYS A 60 10.095 23.092 15.755 1.00 0.00 C ATOM 873 NZ LYS A 60 11.558 22.975 16.007 1.00 0.00 N ATOM 0 H LYS A 60 9.555 23.272 10.478 1.00 0.00 H new ATOM 0 HA LYS A 60 10.220 20.960 11.809 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.180 23.134 12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.525 21.854 13.537 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.978 22.555 13.415 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.456 23.951 12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.370 24.879 14.597 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.744 24.229 14.534 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.609 23.521 16.631 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.671 22.099 15.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.717 22.622 16.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.976 22.313 15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.004 23.909 15.902 1.00 0.00 H new ATOM 887 N ALA A 61 7.212 20.830 10.532 1.00 0.00 N ATOM 888 CA ALA A 61 6.088 19.945 10.253 1.00 0.00 C ATOM 889 C ALA A 61 6.492 18.830 9.294 1.00 0.00 C ATOM 890 O ALA A 61 6.425 17.649 9.635 1.00 0.00 O ATOM 891 CB ALA A 61 4.921 20.738 9.682 1.00 0.00 C ATOM 0 H ALA A 61 7.180 21.721 10.037 1.00 0.00 H new ATOM 0 HA ALA A 61 5.777 19.486 11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.088 20.065 9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.608 21.494 10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.230 21.224 8.756 1.00 0.00 H new ATOM 897 N LYS A 62 6.911 19.213 8.092 1.00 0.00 N ATOM 898 CA LYS A 62 7.327 18.246 7.083 1.00 0.00 C ATOM 899 C LYS A 62 8.054 17.068 7.725 1.00 0.00 C ATOM 900 O LYS A 62 7.737 15.910 7.455 1.00 0.00 O ATOM 901 CB LYS A 62 8.232 18.916 6.048 1.00 0.00 C ATOM 902 CG LYS A 62 7.500 19.883 5.134 1.00 0.00 C ATOM 903 CD LYS A 62 8.422 20.979 4.628 1.00 0.00 C ATOM 904 CE LYS A 62 7.637 22.131 4.018 1.00 0.00 C ATOM 905 NZ LYS A 62 8.452 23.374 3.934 1.00 0.00 N ATOM 0 H LYS A 62 6.971 20.186 7.793 1.00 0.00 H new ATOM 0 HA LYS A 62 6.433 17.870 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.028 19.451 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.708 18.146 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.082 19.339 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.663 20.330 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.034 21.350 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.104 20.568 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.297 21.851 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.746 22.321 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.882 24.135 3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.755 23.656 4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.289 23.201 3.342 1.00 0.00 H new ATOM 919 N GLN A 63 9.029 17.373 8.575 1.00 0.00 N ATOM 920 CA GLN A 63 9.800 16.339 9.255 1.00 0.00 C ATOM 921 C GLN A 63 8.890 15.437 10.082 1.00 0.00 C ATOM 922 O GLN A 63 8.999 14.212 10.028 1.00 0.00 O ATOM 923 CB GLN A 63 10.862 16.974 10.154 1.00 0.00 C ATOM 924 CG GLN A 63 12.073 17.491 9.394 1.00 0.00 C ATOM 925 CD GLN A 63 13.284 17.684 10.285 1.00 0.00 C ATOM 926 OE1 GLN A 63 13.470 16.960 11.264 1.00 0.00 O ATOM 927 NE2 GLN A 63 14.115 18.664 9.951 1.00 0.00 N ATOM 0 H GLN A 63 9.304 18.327 8.809 1.00 0.00 H new ATOM 0 HA GLN A 63 10.293 15.730 8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.412 17.798 10.707 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.191 16.239 10.888 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.322 16.791 8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.821 18.439 8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.922 19.239 9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.947 18.841 10.514 1.00 0.00 H new ATOM 936 N SER A 64 7.994 16.051 10.848 1.00 0.00 N ATOM 937 CA SER A 64 7.067 15.303 11.690 1.00 0.00 C ATOM 938 C SER A 64 6.329 14.244 10.877 1.00 0.00 C ATOM 939 O SER A 64 6.453 13.047 11.139 1.00 0.00 O ATOM 940 CB SER A 64 6.062 16.251 12.346 1.00 0.00 C ATOM 941 OG SER A 64 6.542 16.718 13.595 1.00 0.00 O ATOM 0 H SER A 64 7.890 17.064 10.903 1.00 0.00 H new ATOM 0 HA SER A 64 7.644 14.803 12.468 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.872 17.098 11.686 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.111 15.737 12.487 1.00 0.00 H new ATOM 0 HG SER A 64 5.882 17.323 13.993 1.00 0.00 H new ATOM 947 N ILE A 65 5.560 14.693 9.891 1.00 0.00 N ATOM 948 CA ILE A 65 4.802 13.785 9.039 1.00 0.00 C ATOM 949 C ILE A 65 5.708 12.724 8.423 1.00 0.00 C ATOM 950 O ILE A 65 5.364 11.543 8.391 1.00 0.00 O ATOM 951 CB ILE A 65 4.078 14.544 7.911 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.084 15.548 8.498 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.369 13.566 6.986 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.414 16.415 7.456 1.00 0.00 C ATOM 0 H ILE A 65 5.445 15.680 9.662 1.00 0.00 H new ATOM 0 HA ILE A 65 4.060 13.301 9.674 1.00 0.00 H new ATOM 0 HB ILE A 65 4.818 15.093 7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.319 15.006 9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.604 16.188 9.211 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.862 14.117 6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.099 12.887 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.637 12.992 7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.723 17.102 7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.170 16.984 6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.865 15.785 6.756 1.00 0.00 H new ATOM 966 N ARG A 66 6.868 13.154 7.937 1.00 0.00 N ATOM 967 CA ARG A 66 7.824 12.241 7.323 1.00 0.00 C ATOM 968 C ARG A 66 8.164 11.093 8.268 1.00 0.00 C ATOM 969 O ARG A 66 8.207 9.932 7.861 1.00 0.00 O ATOM 970 CB ARG A 66 9.100 12.991 6.934 1.00 0.00 C ATOM 971 CG ARG A 66 8.994 13.726 5.609 1.00 0.00 C ATOM 972 CD ARG A 66 10.119 14.737 5.441 1.00 0.00 C ATOM 973 NE ARG A 66 11.435 14.111 5.531 1.00 0.00 N ATOM 974 CZ ARG A 66 12.544 14.659 5.048 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.496 15.839 4.445 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.705 14.028 5.168 1.00 0.00 N ATOM 0 H ARG A 66 7.168 14.129 7.957 1.00 0.00 H new ATOM 0 HA ARG A 66 7.366 11.826 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.344 13.707 7.719 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.926 12.282 6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.024 13.008 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.033 14.237 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.019 15.234 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.031 15.508 6.207 1.00 0.00 H new ATOM 0 HE ARG A 66 11.506 13.203 5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.606 16.328 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.349 16.258 4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.747 13.121 5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.556 14.450 4.796 1.00 0.00 H new ATOM 990 N ALA A 67 8.406 11.426 9.532 1.00 0.00 N ATOM 991 CA ALA A 67 8.740 10.423 10.536 1.00 0.00 C ATOM 992 C ALA A 67 7.682 9.327 10.591 1.00 0.00 C ATOM 993 O ALA A 67 7.997 8.153 10.792 1.00 0.00 O ATOM 994 CB ALA A 67 8.899 11.075 11.901 1.00 0.00 C ATOM 0 H ALA A 67 8.377 12.383 9.885 1.00 0.00 H new ATOM 0 HA ALA A 67 9.687 9.963 10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.148 10.314 12.641 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.697 11.816 11.859 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.966 11.563 12.182 1.00 0.00 H new ATOM 1000 N LYS A 68 6.424 9.716 10.412 1.00 0.00 N ATOM 1001 CA LYS A 68 5.317 8.767 10.440 1.00 0.00 C ATOM 1002 C LYS A 68 5.283 7.932 9.164 1.00 0.00 C ATOM 1003 O LYS A 68 4.952 6.746 9.195 1.00 0.00 O ATOM 1004 CB LYS A 68 3.989 9.506 10.614 1.00 0.00 C ATOM 1005 CG LYS A 68 4.028 10.583 11.684 1.00 0.00 C ATOM 1006 CD LYS A 68 3.859 9.994 13.075 1.00 0.00 C ATOM 1007 CE LYS A 68 5.197 9.596 13.678 1.00 0.00 C ATOM 1008 NZ LYS A 68 5.061 8.458 14.628 1.00 0.00 N ATOM 0 H LYS A 68 6.145 10.683 10.246 1.00 0.00 H new ATOM 0 HA LYS A 68 5.467 8.098 11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.708 9.960 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.211 8.784 10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.975 11.119 11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.238 11.311 11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.369 10.721 13.722 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.207 9.122 13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.888 9.323 12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.631 10.451 14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.995 8.217 15.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.422 8.727 15.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.671 7.633 14.128 1.00 0.00 H new ATOM 1022 N CYS A 69 5.629 8.558 8.044 1.00 0.00 N ATOM 1023 CA CYS A 69 5.638 7.872 6.757 1.00 0.00 C ATOM 1024 C CYS A 69 6.649 6.730 6.757 1.00 0.00 C ATOM 1025 O CYS A 69 6.351 5.621 6.311 1.00 0.00 O ATOM 1026 CB CYS A 69 5.963 8.857 5.633 1.00 0.00 C ATOM 1027 SG CYS A 69 4.524 9.742 4.989 1.00 0.00 S ATOM 0 H CYS A 69 5.907 9.539 8.001 1.00 0.00 H new ATOM 0 HA CYS A 69 4.645 7.454 6.588 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.689 9.583 5.999 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.439 8.315 4.816 1.00 0.00 H new ATOM 0 HG CYS A 69 4.919 10.697 4.201 1.00 0.00 H new ATOM 1033 N THR A 70 7.849 7.008 7.259 1.00 0.00 N ATOM 1034 CA THR A 70 8.905 6.006 7.314 1.00 0.00 C ATOM 1035 C THR A 70 8.530 4.862 8.249 1.00 0.00 C ATOM 1036 O THR A 70 8.807 3.698 7.963 1.00 0.00 O ATOM 1037 CB THR A 70 10.238 6.620 7.782 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.658 7.637 6.866 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.316 5.553 7.893 1.00 0.00 C ATOM 0 H THR A 70 8.113 7.919 7.633 1.00 0.00 H new ATOM 0 HA THR A 70 9.026 5.619 6.302 1.00 0.00 H new ATOM 0 HB THR A 70 10.083 7.061 8.767 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.505 8.023 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.248 6.011 8.225 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.006 4.796 8.614 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.468 5.086 6.920 1.00 0.00 H new ATOM 1047 N GLU A 71 7.896 5.202 9.368 1.00 0.00 N ATOM 1048 CA GLU A 71 7.483 4.201 10.345 1.00 0.00 C ATOM 1049 C GLU A 71 6.465 3.238 9.740 1.00 0.00 C ATOM 1050 O GLU A 71 6.712 2.035 9.647 1.00 0.00 O ATOM 1051 CB GLU A 71 6.889 4.879 11.582 1.00 0.00 C ATOM 1052 CG GLU A 71 6.336 3.901 12.605 1.00 0.00 C ATOM 1053 CD GLU A 71 7.267 2.730 12.854 1.00 0.00 C ATOM 1054 OE1 GLU A 71 7.436 1.900 11.937 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.826 2.644 13.968 1.00 0.00 O ATOM 0 H GLU A 71 7.658 6.161 9.620 1.00 0.00 H new ATOM 0 HA GLU A 71 8.365 3.632 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.657 5.491 12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.092 5.554 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.158 4.425 13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.372 3.527 12.261 1.00 0.00 H new ATOM 1062 N TYR A 72 5.322 3.776 9.332 1.00 0.00 N ATOM 1063 CA TYR A 72 4.265 2.965 8.739 1.00 0.00 C ATOM 1064 C TYR A 72 4.800 2.141 7.572 1.00 0.00 C ATOM 1065 O TYR A 72 4.417 0.986 7.384 1.00 0.00 O ATOM 1066 CB TYR A 72 3.115 3.855 8.265 1.00 0.00 C ATOM 1067 CG TYR A 72 2.528 4.720 9.358 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.197 4.180 10.595 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.305 6.076 9.154 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.660 4.966 11.596 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.770 6.869 10.150 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.449 6.310 11.369 1.00 0.00 C ATOM 1073 OH TYR A 72 0.914 7.097 12.364 1.00 0.00 O ATOM 0 H TYR A 72 5.103 4.770 9.401 1.00 0.00 H new ATOM 0 HA TYR A 72 3.895 2.281 9.503 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.471 4.496 7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.328 3.226 7.849 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.362 3.128 10.777 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.554 6.517 8.200 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.407 4.530 12.551 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.604 7.922 9.975 1.00 0.00 H new ATOM 0 HH TYR A 72 0.831 8.019 12.043 1.00 0.00 H new ATOM 1083 N LEU A 73 5.688 2.744 6.789 1.00 0.00 N ATOM 1084 CA LEU A 73 6.278 2.068 5.639 1.00 0.00 C ATOM 1085 C LEU A 73 7.063 0.835 6.076 1.00 0.00 C ATOM 1086 O LEU A 73 6.924 -0.240 5.492 1.00 0.00 O ATOM 1087 CB LEU A 73 7.194 3.025 4.875 1.00 0.00 C ATOM 1088 CG LEU A 73 6.497 4.047 3.975 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.464 5.149 3.570 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.916 3.365 2.745 1.00 0.00 C ATOM 0 H LEU A 73 6.015 3.700 6.930 1.00 0.00 H new ATOM 0 HA LEU A 73 5.469 1.747 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.806 3.565 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.873 2.433 4.261 1.00 0.00 H new ATOM 0 HG LEU A 73 5.679 4.499 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.951 5.867 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.832 5.656 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.304 4.715 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.424 4.107 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.717 2.886 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.190 2.613 3.055 1.00 0.00 H new ATOM 1102 N ASP A 74 7.885 0.998 7.106 1.00 0.00 N ATOM 1103 CA ASP A 74 8.689 -0.102 7.624 1.00 0.00 C ATOM 1104 C ASP A 74 7.801 -1.249 8.096 1.00 0.00 C ATOM 1105 O ASP A 74 8.037 -2.409 7.758 1.00 0.00 O ATOM 1106 CB ASP A 74 9.574 0.381 8.774 1.00 0.00 C ATOM 1107 CG ASP A 74 10.765 -0.527 9.010 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.705 -1.703 8.595 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.756 -0.061 9.610 1.00 0.00 O ATOM 0 H ASP A 74 8.012 1.882 7.599 1.00 0.00 H new ATOM 0 HA ASP A 74 9.324 -0.466 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.927 1.389 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.980 0.440 9.686 1.00 0.00 H new ATOM 1114 N ARG A 75 6.781 -0.917 8.881 1.00 0.00 N ATOM 1115 CA ARG A 75 5.860 -1.919 9.401 1.00 0.00 C ATOM 1116 C ARG A 75 5.235 -2.726 8.266 1.00 0.00 C ATOM 1117 O ARG A 75 5.406 -3.942 8.189 1.00 0.00 O ATOM 1118 CB ARG A 75 4.761 -1.251 10.231 1.00 0.00 C ATOM 1119 CG ARG A 75 3.737 -2.228 10.785 1.00 0.00 C ATOM 1120 CD ARG A 75 4.393 -3.287 11.658 1.00 0.00 C ATOM 1121 NE ARG A 75 3.411 -4.193 12.249 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.737 -5.267 12.960 1.00 0.00 C ATOM 1123 NH1 ARG A 75 5.012 -5.566 13.168 1.00 0.00 N ATOM 1124 NH2 ARG A 75 2.787 -6.043 13.465 1.00 0.00 N ATOM 0 H ARG A 75 6.572 0.039 9.170 1.00 0.00 H new ATOM 0 HA ARG A 75 6.425 -2.599 10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.220 -0.711 11.059 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.249 -0.513 9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.992 -1.685 11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.209 -2.709 9.962 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.102 -3.860 11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.962 -2.802 12.451 1.00 0.00 H new ATOM 0 HE ARG A 75 2.421 -3.990 12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.745 -4.971 12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.260 -6.391 13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.805 -5.815 13.308 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.038 -6.867 14.011 1.00 0.00 H new ATOM 1138 N ALA A 76 4.511 -2.039 7.389 1.00 0.00 N ATOM 1139 CA ALA A 76 3.862 -2.691 6.258 1.00 0.00 C ATOM 1140 C ALA A 76 4.799 -3.693 5.591 1.00 0.00 C ATOM 1141 O ALA A 76 4.425 -4.841 5.353 1.00 0.00 O ATOM 1142 CB ALA A 76 3.392 -1.653 5.249 1.00 0.00 C ATOM 0 H ALA A 76 4.359 -1.032 7.440 1.00 0.00 H new ATOM 0 HA ALA A 76 2.996 -3.236 6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.909 -2.154 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.682 -0.978 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.248 -1.083 4.888 1.00 0.00 H new ATOM 1148 N GLU A 77 6.015 -3.250 5.291 1.00 0.00 N ATOM 1149 CA GLU A 77 7.004 -4.109 4.649 1.00 0.00 C ATOM 1150 C GLU A 77 7.019 -5.494 5.290 1.00 0.00 C ATOM 1151 O GLU A 77 7.189 -6.504 4.608 1.00 0.00 O ATOM 1152 CB GLU A 77 8.395 -3.478 4.739 1.00 0.00 C ATOM 1153 CG GLU A 77 8.714 -2.540 3.588 1.00 0.00 C ATOM 1154 CD GLU A 77 9.094 -3.280 2.320 1.00 0.00 C ATOM 1155 OE1 GLU A 77 8.711 -4.460 2.184 1.00 0.00 O ATOM 1156 OE2 GLU A 77 9.774 -2.677 1.463 1.00 0.00 O ATOM 0 H GLU A 77 6.340 -2.302 5.482 1.00 0.00 H new ATOM 0 HA GLU A 77 6.729 -4.216 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.475 -2.929 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.143 -4.270 4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.849 -1.907 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.532 -1.880 3.878 1.00 0.00 H new ATOM 1163 N LYS A 78 6.839 -5.532 6.606 1.00 0.00 N ATOM 1164 CA LYS A 78 6.831 -6.791 7.341 1.00 0.00 C ATOM 1165 C LYS A 78 5.568 -7.590 7.037 1.00 0.00 C ATOM 1166 O LYS A 78 5.635 -8.775 6.704 1.00 0.00 O ATOM 1167 CB LYS A 78 6.931 -6.528 8.845 1.00 0.00 C ATOM 1168 CG LYS A 78 8.222 -5.843 9.258 1.00 0.00 C ATOM 1169 CD LYS A 78 9.319 -6.851 9.554 1.00 0.00 C ATOM 1170 CE LYS A 78 10.687 -6.188 9.606 1.00 0.00 C ATOM 1171 NZ LYS A 78 11.273 -6.019 8.247 1.00 0.00 N ATOM 0 H LYS A 78 6.697 -4.705 7.185 1.00 0.00 H new ATOM 0 HA LYS A 78 7.695 -7.374 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.087 -5.911 9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.846 -7.475 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.549 -5.171 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.043 -5.229 10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.116 -7.343 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.318 -7.626 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.601 -5.214 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.359 -6.789 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.205 -5.564 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.379 -6.950 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.645 -5.425 7.669 1.00 0.00 H new ATOM 1185 N LEU A 79 4.417 -6.936 7.151 1.00 0.00 N ATOM 1186 CA LEU A 79 3.138 -7.585 6.887 1.00 0.00 C ATOM 1187 C LEU A 79 3.170 -8.328 5.555 1.00 0.00 C ATOM 1188 O LEU A 79 2.561 -9.388 5.408 1.00 0.00 O ATOM 1189 CB LEU A 79 2.011 -6.551 6.881 1.00 0.00 C ATOM 1190 CG LEU A 79 1.737 -5.849 8.211 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.668 -4.781 8.041 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.322 -6.858 9.272 1.00 0.00 C ATOM 0 H LEU A 79 4.344 -5.956 7.425 1.00 0.00 H new ATOM 0 HA LEU A 79 2.954 -8.309 7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.245 -5.792 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.094 -7.044 6.558 1.00 0.00 H new ATOM 0 HG LEU A 79 2.656 -5.364 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.486 -4.292 8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.005 -4.042 7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.254 -5.242 7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.131 -6.340 10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.416 -7.372 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.121 -7.586 9.415 1.00 0.00 H new ATOM 1204 N LYS A 80 3.885 -7.766 4.587 1.00 0.00 N ATOM 1205 CA LYS A 80 4.000 -8.376 3.267 1.00 0.00 C ATOM 1206 C LYS A 80 4.717 -9.719 3.349 1.00 0.00 C ATOM 1207 O LYS A 80 4.199 -10.738 2.893 1.00 0.00 O ATOM 1208 CB LYS A 80 4.750 -7.442 2.315 1.00 0.00 C ATOM 1209 CG LYS A 80 4.131 -6.059 2.205 1.00 0.00 C ATOM 1210 CD LYS A 80 4.958 -5.148 1.314 1.00 0.00 C ATOM 1211 CE LYS A 80 4.443 -3.717 1.350 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.535 -2.729 1.128 1.00 0.00 N ATOM 0 H LYS A 80 4.394 -6.888 4.691 1.00 0.00 H new ATOM 0 HA LYS A 80 2.994 -8.545 2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.781 -7.343 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.782 -7.896 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.121 -6.142 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.045 -5.618 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.999 -5.169 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.934 -5.519 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.676 -3.588 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.970 -3.525 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.144 -1.766 1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.255 -2.835 1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.970 -2.895 0.198 1.00 0.00 H new ATOM 1226 N GLU A 81 5.911 -9.713 3.934 1.00 0.00 N ATOM 1227 CA GLU A 81 6.698 -10.932 4.076 1.00 0.00 C ATOM 1228 C GLU A 81 5.931 -11.985 4.871 1.00 0.00 C ATOM 1229 O GLU A 81 6.206 -13.181 4.765 1.00 0.00 O ATOM 1230 CB GLU A 81 8.031 -10.629 4.764 1.00 0.00 C ATOM 1231 CG GLU A 81 9.011 -9.873 3.883 1.00 0.00 C ATOM 1232 CD GLU A 81 9.520 -10.709 2.725 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.208 -11.720 2.980 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.230 -10.353 1.564 1.00 0.00 O ATOM 0 H GLU A 81 6.354 -8.878 4.317 1.00 0.00 H new ATOM 0 HA GLU A 81 6.894 -11.325 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.841 -10.046 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.488 -11.566 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.527 -8.977 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.856 -9.543 4.487 1.00 0.00 H new ATOM 1241 N TYR A 82 4.969 -11.532 5.667 1.00 0.00 N ATOM 1242 CA TYR A 82 4.164 -12.434 6.483 1.00 0.00 C ATOM 1243 C TYR A 82 2.988 -12.987 5.684 1.00 0.00 C ATOM 1244 O TYR A 82 2.597 -14.143 5.851 1.00 0.00 O ATOM 1245 CB TYR A 82 3.653 -11.709 7.729 1.00 0.00 C ATOM 1246 CG TYR A 82 2.353 -12.265 8.263 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.133 -11.870 7.728 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.344 -13.188 9.302 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -0.057 -12.375 8.213 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.158 -13.699 9.793 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.040 -13.290 9.245 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.224 -13.797 9.731 1.00 0.00 O ATOM 0 H TYR A 82 4.727 -10.546 5.765 1.00 0.00 H new ATOM 0 HA TYR A 82 4.796 -13.268 6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.411 -11.768 8.510 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.518 -10.653 7.495 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.115 -11.155 6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.280 -13.511 9.733 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.996 -12.055 7.787 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.169 -14.415 10.602 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.036 -14.430 10.456 1.00 0.00 H new ATOM 1262 N LEU A 83 2.427 -12.153 4.816 1.00 0.00 N ATOM 1263 CA LEU A 83 1.294 -12.557 3.989 1.00 0.00 C ATOM 1264 C LEU A 83 1.729 -13.553 2.919 1.00 0.00 C ATOM 1265 O LEU A 83 1.074 -14.571 2.700 1.00 0.00 O ATOM 1266 CB LEU A 83 0.654 -11.332 3.333 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.121 -10.400 4.265 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.443 -9.090 3.562 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.396 -11.073 4.752 1.00 0.00 C ATOM 0 H LEU A 83 2.737 -11.193 4.666 1.00 0.00 H new ATOM 0 HA LEU A 83 0.560 -13.042 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.439 -10.754 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.023 -11.676 2.550 1.00 0.00 H new ATOM 0 HG LEU A 83 0.504 -10.180 5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.995 -8.439 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.484 -8.600 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.049 -9.291 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.935 -10.395 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.025 -11.322 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.142 -11.984 5.294 1.00 0.00 H new ATOM 1281 N LYS A 84 2.841 -13.253 2.256 1.00 0.00 N ATOM 1282 CA LYS A 84 3.367 -14.122 1.210 1.00 0.00 C ATOM 1283 C LYS A 84 3.797 -15.467 1.787 1.00 0.00 C ATOM 1284 O LYS A 84 3.507 -16.518 1.216 1.00 0.00 O ATOM 1285 CB LYS A 84 4.553 -13.453 0.511 1.00 0.00 C ATOM 1286 CG LYS A 84 5.726 -13.174 1.434 1.00 0.00 C ATOM 1287 CD LYS A 84 6.901 -12.577 0.678 1.00 0.00 C ATOM 1288 CE LYS A 84 6.615 -11.148 0.242 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.589 -10.675 -0.780 1.00 0.00 N ATOM 0 H LYS A 84 3.396 -12.414 2.425 1.00 0.00 H new ATOM 0 HA LYS A 84 2.574 -14.294 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.889 -14.091 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.220 -12.515 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.414 -12.490 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.037 -14.099 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.789 -12.595 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.121 -13.189 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.605 -11.087 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.650 -10.489 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.195 -9.853 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.477 -10.402 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.776 -11.439 -1.461 1.00 0.00 H new