USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 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 39 GLN : amide:sc= -2.13 K(o=-3.3,f=-0.27) USER MOD Set 1.2: A 42 GLN : amide:sc= -1.13 K(o=-3.3,f=-0.46) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -154:sc= 0.0108 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0.0112 USER MOD Single : A 12 SER OG : rot -147:sc= 1.25 USER MOD Single : A 14 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.98) USER MOD Single : A 16 GLN : amide:sc= 0.466 K(o=0.47,f=-0.049) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 165:sc=-0.00414 (180deg=-0.138) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0637 K(o=-0.064,f=-0.58) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -0.252 X(o=-0.25,f=-0.5) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.5!) USER MOD Single : A 64 SER OG : rot -66:sc= 0.605 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 64:sc= -0.205 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+ 145:sc= -0.485 (180deg=-1.9!) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= -1.38 (180deg=-1.47) 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 -5.886 20.668 6.267 1.00 0.00 N ATOM 120 CA SER A 12 -6.302 20.221 4.943 1.00 0.00 C ATOM 121 C SER A 12 -6.963 18.849 5.015 1.00 0.00 C ATOM 122 O SER A 12 -6.717 18.060 5.928 1.00 0.00 O ATOM 123 CB SER A 12 -5.100 20.171 3.997 1.00 0.00 C ATOM 124 OG SER A 12 -4.806 21.457 3.478 1.00 0.00 O ATOM 0 HA SER A 12 -7.029 20.936 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.231 19.782 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.307 19.483 3.177 1.00 0.00 H new ATOM 0 HG SER A 12 -4.455 21.370 2.567 1.00 0.00 H new ATOM 130 N PRO A 13 -7.825 18.555 4.029 1.00 0.00 N ATOM 131 CA PRO A 13 -8.540 17.278 3.958 1.00 0.00 C ATOM 132 C PRO A 13 -7.614 16.112 3.628 1.00 0.00 C ATOM 133 O PRO A 13 -7.851 14.981 4.048 1.00 0.00 O ATOM 134 CB PRO A 13 -9.546 17.498 2.825 1.00 0.00 C ATOM 135 CG PRO A 13 -8.932 18.555 1.973 1.00 0.00 C ATOM 136 CD PRO A 13 -8.166 19.448 2.909 1.00 0.00 C ATOM 0 HA PRO A 13 -9.000 17.015 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.712 16.581 2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.515 17.814 3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.272 18.118 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.697 19.117 1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.274 19.856 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.768 20.295 3.239 1.00 0.00 H new ATOM 144 N ASN A 14 -6.557 16.397 2.873 1.00 0.00 N ATOM 145 CA ASN A 14 -5.595 15.372 2.487 1.00 0.00 C ATOM 146 C ASN A 14 -4.830 14.858 3.703 1.00 0.00 C ATOM 147 O ASN A 14 -4.540 13.665 3.809 1.00 0.00 O ATOM 148 CB ASN A 14 -4.615 15.927 1.452 1.00 0.00 C ATOM 149 CG ASN A 14 -5.271 16.912 0.504 1.00 0.00 C ATOM 150 OD1 ASN A 14 -5.266 18.119 0.744 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.842 16.399 -0.580 1.00 0.00 N ATOM 0 H ASN A 14 -6.346 17.329 2.517 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.145 14.540 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.788 16.417 1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.191 15.103 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.300 17.012 -1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.822 15.392 -0.739 1.00 0.00 H new ATOM 158 N LEU A 15 -4.508 15.764 4.619 1.00 0.00 N ATOM 159 CA LEU A 15 -3.778 15.403 5.829 1.00 0.00 C ATOM 160 C LEU A 15 -4.672 14.632 6.795 1.00 0.00 C ATOM 161 O LEU A 15 -4.284 13.585 7.312 1.00 0.00 O ATOM 162 CB LEU A 15 -3.232 16.658 6.513 1.00 0.00 C ATOM 163 CG LEU A 15 -2.568 16.446 7.873 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.387 15.497 7.749 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.125 17.777 8.464 1.00 0.00 C ATOM 0 H LEU A 15 -4.741 16.754 4.547 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.945 14.761 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.507 17.125 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.052 17.365 6.638 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.299 15.997 8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.927 15.359 8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.732 14.535 7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.654 15.916 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.654 17.607 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.411 18.254 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.992 18.425 8.591 1.00 0.00 H new ATOM 177 N GLN A 16 -5.870 15.156 7.031 1.00 0.00 N ATOM 178 CA GLN A 16 -6.819 14.516 7.933 1.00 0.00 C ATOM 179 C GLN A 16 -7.063 13.066 7.528 1.00 0.00 C ATOM 180 O GLN A 16 -7.149 12.179 8.377 1.00 0.00 O ATOM 181 CB GLN A 16 -8.142 15.284 7.944 1.00 0.00 C ATOM 182 CG GLN A 16 -9.184 14.687 8.877 1.00 0.00 C ATOM 183 CD GLN A 16 -8.734 14.675 10.324 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.957 15.634 11.063 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.097 13.586 10.737 1.00 0.00 N ATOM 0 H GLN A 16 -6.206 16.022 6.610 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.392 14.527 8.936 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.951 16.316 8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.545 15.311 6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.110 15.256 8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.407 13.668 8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.934 12.814 10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.771 13.521 11.701 1.00 0.00 H new ATOM 194 N LYS A 17 -7.173 12.832 6.224 1.00 0.00 N ATOM 195 CA LYS A 17 -7.405 11.490 5.705 1.00 0.00 C ATOM 196 C LYS A 17 -6.222 10.576 6.007 1.00 0.00 C ATOM 197 O LYS A 17 -6.399 9.431 6.421 1.00 0.00 O ATOM 198 CB LYS A 17 -7.652 11.541 4.195 1.00 0.00 C ATOM 199 CG LYS A 17 -7.890 10.176 3.571 1.00 0.00 C ATOM 200 CD LYS A 17 -8.702 10.282 2.291 1.00 0.00 C ATOM 201 CE LYS A 17 -9.358 8.957 1.936 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.086 9.029 0.639 1.00 0.00 N ATOM 0 H LYS A 17 -7.105 13.555 5.508 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.288 11.085 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.515 12.177 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.795 12.008 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.933 9.701 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.412 9.536 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.468 11.049 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.055 10.599 1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.598 8.178 1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.052 8.672 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.849 8.323 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.492 9.979 0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.426 8.836 -0.141 1.00 0.00 H new ATOM 216 N ALA A 18 -5.014 11.091 5.798 1.00 0.00 N ATOM 217 CA ALA A 18 -3.802 10.323 6.051 1.00 0.00 C ATOM 218 C ALA A 18 -3.764 9.816 7.489 1.00 0.00 C ATOM 219 O ALA A 18 -3.432 8.657 7.739 1.00 0.00 O ATOM 220 CB ALA A 18 -2.571 11.167 5.754 1.00 0.00 C ATOM 0 H ALA A 18 -4.850 12.037 5.454 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.804 9.458 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.673 10.581 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.585 11.476 4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.572 12.050 6.393 1.00 0.00 H new ATOM 226 N ILE A 19 -4.104 10.691 8.429 1.00 0.00 N ATOM 227 CA ILE A 19 -4.108 10.331 9.842 1.00 0.00 C ATOM 228 C ILE A 19 -5.054 9.165 10.108 1.00 0.00 C ATOM 229 O ILE A 19 -4.637 8.113 10.592 1.00 0.00 O ATOM 230 CB ILE A 19 -4.520 11.523 10.725 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.529 12.677 10.556 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.602 11.098 12.184 1.00 0.00 C ATOM 233 CD1 ILE A 19 -4.114 14.030 10.895 1.00 0.00 C ATOM 0 H ILE A 19 -4.380 11.654 8.238 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.090 10.036 10.096 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.506 11.866 10.411 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.661 12.496 11.190 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.173 12.692 9.526 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.894 11.951 12.796 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.342 10.305 12.291 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.629 10.733 12.512 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.356 14.800 10.753 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.964 14.232 10.243 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.444 14.034 11.934 1.00 0.00 H new ATOM 245 N ASP A 20 -6.329 9.359 9.788 1.00 0.00 N ATOM 246 CA ASP A 20 -7.334 8.322 9.990 1.00 0.00 C ATOM 247 C ASP A 20 -6.849 6.982 9.448 1.00 0.00 C ATOM 248 O ASP A 20 -6.844 5.977 10.160 1.00 0.00 O ATOM 249 CB ASP A 20 -8.647 8.716 9.311 1.00 0.00 C ATOM 250 CG ASP A 20 -9.847 8.025 9.927 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.716 6.846 10.318 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.918 8.662 10.017 1.00 0.00 O ATOM 0 H ASP A 20 -6.691 10.225 9.388 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.504 8.219 11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.778 9.796 9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.593 8.468 8.251 1.00 0.00 H new ATOM 257 N LEU A 21 -6.442 6.973 8.184 1.00 0.00 N ATOM 258 CA LEU A 21 -5.955 5.755 7.545 1.00 0.00 C ATOM 259 C LEU A 21 -4.918 5.058 8.420 1.00 0.00 C ATOM 260 O LEU A 21 -5.146 3.951 8.906 1.00 0.00 O ATOM 261 CB LEU A 21 -5.351 6.079 6.178 1.00 0.00 C ATOM 262 CG LEU A 21 -6.347 6.328 5.045 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.672 7.049 3.889 1.00 0.00 C ATOM 264 CD2 LEU A 21 -6.957 5.015 4.574 1.00 0.00 C ATOM 0 H LEU A 21 -6.439 7.795 7.581 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.801 5.081 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.721 6.963 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.699 5.255 5.887 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.148 6.963 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.397 7.217 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.284 8.007 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.851 6.440 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.664 5.211 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.168 4.356 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.477 4.537 5.404 1.00 0.00 H new ATOM 276 N ALA A 22 -3.780 5.715 8.617 1.00 0.00 N ATOM 277 CA ALA A 22 -2.710 5.161 9.437 1.00 0.00 C ATOM 278 C ALA A 22 -3.255 4.602 10.746 1.00 0.00 C ATOM 279 O ALA A 22 -2.819 3.550 11.213 1.00 0.00 O ATOM 280 CB ALA A 22 -1.653 6.220 9.712 1.00 0.00 C ATOM 0 H ALA A 22 -3.575 6.632 8.220 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.251 4.341 8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.860 5.792 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.233 6.569 8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.107 7.059 10.239 1.00 0.00 H new ATOM 286 N SER A 23 -4.212 5.313 11.335 1.00 0.00 N ATOM 287 CA SER A 23 -4.814 4.890 12.594 1.00 0.00 C ATOM 288 C SER A 23 -5.575 3.579 12.419 1.00 0.00 C ATOM 289 O SER A 23 -5.408 2.642 13.200 1.00 0.00 O ATOM 290 CB SER A 23 -5.756 5.973 13.123 1.00 0.00 C ATOM 291 OG SER A 23 -6.055 5.765 14.493 1.00 0.00 O ATOM 0 H SER A 23 -4.587 6.184 10.960 1.00 0.00 H new ATOM 0 HA SER A 23 -4.013 4.731 13.316 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.298 6.953 12.992 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.678 5.972 12.542 1.00 0.00 H new ATOM 0 HG SER A 23 -6.657 6.471 14.807 1.00 0.00 H new ATOM 297 N LYS A 24 -6.411 3.521 11.389 1.00 0.00 N ATOM 298 CA LYS A 24 -7.198 2.327 11.108 1.00 0.00 C ATOM 299 C LYS A 24 -6.295 1.113 10.915 1.00 0.00 C ATOM 300 O LYS A 24 -6.572 0.033 11.435 1.00 0.00 O ATOM 301 CB LYS A 24 -8.058 2.539 9.860 1.00 0.00 C ATOM 302 CG LYS A 24 -9.308 1.678 9.828 1.00 0.00 C ATOM 303 CD LYS A 24 -10.359 2.254 8.895 1.00 0.00 C ATOM 304 CE LYS A 24 -11.734 1.665 9.172 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.313 2.181 10.443 1.00 0.00 N ATOM 0 H LYS A 24 -6.561 4.288 10.734 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.848 2.142 11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.348 3.588 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.458 2.326 8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.048 0.670 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.720 1.595 10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.396 3.337 9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.078 2.054 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.404 1.902 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.660 0.579 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.330 1.966 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.839 1.727 11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.175 3.211 10.495 1.00 0.00 H new ATOM 319 N ALA A 25 -5.213 1.299 10.166 1.00 0.00 N ATOM 320 CA ALA A 25 -4.268 0.220 9.908 1.00 0.00 C ATOM 321 C ALA A 25 -3.932 -0.534 11.190 1.00 0.00 C ATOM 322 O ALA A 25 -4.077 -1.754 11.260 1.00 0.00 O ATOM 323 CB ALA A 25 -3.001 0.769 9.269 1.00 0.00 C ATOM 0 H ALA A 25 -4.969 2.187 9.727 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.736 -0.481 9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.304 -0.048 9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.251 1.256 8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.539 1.493 9.940 1.00 0.00 H new ATOM 329 N ALA A 26 -3.482 0.200 12.202 1.00 0.00 N ATOM 330 CA ALA A 26 -3.127 -0.399 13.483 1.00 0.00 C ATOM 331 C ALA A 26 -4.289 -1.206 14.052 1.00 0.00 C ATOM 332 O ALA A 26 -4.116 -2.352 14.466 1.00 0.00 O ATOM 333 CB ALA A 26 -2.697 0.677 14.468 1.00 0.00 C ATOM 0 H ALA A 26 -3.354 1.211 12.160 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.292 -1.080 13.319 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.435 0.215 15.420 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.831 1.208 14.072 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.516 1.380 14.619 1.00 0.00 H new ATOM 339 N GLN A 27 -5.472 -0.600 14.070 1.00 0.00 N ATOM 340 CA GLN A 27 -6.662 -1.263 14.590 1.00 0.00 C ATOM 341 C GLN A 27 -6.807 -2.662 14.001 1.00 0.00 C ATOM 342 O GLN A 27 -7.025 -3.632 14.726 1.00 0.00 O ATOM 343 CB GLN A 27 -7.910 -0.434 14.282 1.00 0.00 C ATOM 344 CG GLN A 27 -7.909 0.936 14.941 1.00 0.00 C ATOM 345 CD GLN A 27 -8.292 0.878 16.406 1.00 0.00 C ATOM 346 OE1 GLN A 27 -9.473 0.915 16.753 1.00 0.00 O ATOM 347 NE2 GLN A 27 -7.294 0.788 17.277 1.00 0.00 N ATOM 0 H GLN A 27 -5.632 0.349 13.731 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.553 -1.354 15.671 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.995 -0.309 13.203 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.792 -0.985 14.610 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.918 1.380 14.846 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.604 1.590 14.413 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.329 0.760 16.946 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.492 0.747 18.277 1.00 0.00 H new ATOM 356 N GLU A 28 -6.686 -2.758 12.680 1.00 0.00 N ATOM 357 CA GLU A 28 -6.806 -4.038 11.994 1.00 0.00 C ATOM 358 C GLU A 28 -5.734 -5.014 12.471 1.00 0.00 C ATOM 359 O GLU A 28 -6.041 -6.111 12.938 1.00 0.00 O ATOM 360 CB GLU A 28 -6.696 -3.843 10.480 1.00 0.00 C ATOM 361 CG GLU A 28 -7.856 -3.067 9.880 1.00 0.00 C ATOM 362 CD GLU A 28 -9.139 -3.874 9.842 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.238 -4.793 9.003 1.00 0.00 O ATOM 364 OE2 GLU A 28 -10.045 -3.585 10.652 1.00 0.00 O ATOM 0 H GLU A 28 -6.505 -1.965 12.065 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.785 -4.456 12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.766 -3.320 10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.636 -4.820 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.019 -2.159 10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.596 -2.757 8.868 1.00 0.00 H new ATOM 371 N ASP A 29 -4.476 -4.606 12.351 1.00 0.00 N ATOM 372 CA ASP A 29 -3.357 -5.443 12.770 1.00 0.00 C ATOM 373 C ASP A 29 -3.662 -6.133 14.096 1.00 0.00 C ATOM 374 O ASP A 29 -3.598 -7.358 14.199 1.00 0.00 O ATOM 375 CB ASP A 29 -2.085 -4.603 12.899 1.00 0.00 C ATOM 376 CG ASP A 29 -0.859 -5.450 13.183 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.564 -5.684 14.374 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.195 -5.877 12.216 1.00 0.00 O ATOM 0 H ASP A 29 -4.205 -3.701 11.967 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.202 -6.208 12.009 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.929 -4.041 11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.213 -3.875 13.700 1.00 0.00 H new ATOM 383 N LYS A 30 -3.994 -5.339 15.108 1.00 0.00 N ATOM 384 CA LYS A 30 -4.309 -5.873 16.428 1.00 0.00 C ATOM 385 C LYS A 30 -5.480 -6.848 16.355 1.00 0.00 C ATOM 386 O LYS A 30 -5.428 -7.938 16.924 1.00 0.00 O ATOM 387 CB LYS A 30 -4.640 -4.734 17.395 1.00 0.00 C ATOM 388 CG LYS A 30 -4.313 -5.052 18.844 1.00 0.00 C ATOM 389 CD LYS A 30 -5.243 -4.322 19.799 1.00 0.00 C ATOM 390 CE LYS A 30 -4.766 -2.903 20.066 1.00 0.00 C ATOM 391 NZ LYS A 30 -5.340 -2.353 21.325 1.00 0.00 N ATOM 0 H LYS A 30 -4.052 -4.323 15.040 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.434 -6.410 16.794 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.090 -3.842 17.094 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.701 -4.497 17.314 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.392 -6.127 19.008 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.281 -4.772 19.055 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.249 -4.296 19.380 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.303 -4.870 20.739 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.678 -2.891 20.127 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.045 -2.262 19.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.991 -1.384 21.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.378 -2.341 21.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.053 -2.949 22.127 1.00 0.00 H new ATOM 405 N ALA A 31 -6.534 -6.449 15.650 1.00 0.00 N ATOM 406 CA ALA A 31 -7.715 -7.289 15.500 1.00 0.00 C ATOM 407 C ALA A 31 -7.362 -8.621 14.848 1.00 0.00 C ATOM 408 O ALA A 31 -8.052 -9.621 15.042 1.00 0.00 O ATOM 409 CB ALA A 31 -8.777 -6.566 14.686 1.00 0.00 C ATOM 0 H ALA A 31 -6.593 -5.549 15.174 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.112 -7.495 16.494 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.654 -7.205 14.582 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.059 -5.643 15.193 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.381 -6.330 13.698 1.00 0.00 H new ATOM 415 N GLY A 32 -6.282 -8.628 14.072 1.00 0.00 N ATOM 416 CA GLY A 32 -5.857 -9.843 13.403 1.00 0.00 C ATOM 417 C GLY A 32 -5.839 -9.697 11.894 1.00 0.00 C ATOM 418 O GLY A 32 -5.536 -10.649 11.176 1.00 0.00 O ATOM 0 H GLY A 32 -5.694 -7.813 13.895 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.861 -10.116 13.751 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.525 -10.659 13.678 1.00 0.00 H new ATOM 422 N ASN A 33 -6.167 -8.503 11.412 1.00 0.00 N ATOM 423 CA ASN A 33 -6.189 -8.237 9.978 1.00 0.00 C ATOM 424 C ASN A 33 -4.871 -7.622 9.519 1.00 0.00 C ATOM 425 O ASN A 33 -4.550 -6.485 9.866 1.00 0.00 O ATOM 426 CB ASN A 33 -7.350 -7.302 9.630 1.00 0.00 C ATOM 427 CG ASN A 33 -8.637 -8.056 9.358 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.637 -9.083 8.679 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.743 -7.548 9.889 1.00 0.00 N ATOM 0 H ASN A 33 -6.421 -7.704 11.993 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.327 -9.186 9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.508 -6.603 10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.086 -6.710 8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.639 -8.012 9.741 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.696 -6.694 10.445 1.00 0.00 H new ATOM 436 N TYR A 34 -4.112 -8.380 8.736 1.00 0.00 N ATOM 437 CA TYR A 34 -2.828 -7.911 8.229 1.00 0.00 C ATOM 438 C TYR A 34 -2.970 -7.353 6.817 1.00 0.00 C ATOM 439 O TYR A 34 -2.563 -6.225 6.540 1.00 0.00 O ATOM 440 CB TYR A 34 -1.806 -9.049 8.239 1.00 0.00 C ATOM 441 CG TYR A 34 -1.185 -9.294 9.596 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.940 -9.181 10.757 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.156 -9.638 9.717 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.377 -9.403 11.999 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.727 -9.863 10.954 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.044 -9.744 12.092 1.00 0.00 C ATOM 447 OH TYR A 34 0.522 -9.967 13.327 1.00 0.00 O ATOM 0 H TYR A 34 -4.364 -9.323 8.438 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.479 -7.111 8.882 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.291 -9.964 7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.016 -8.823 7.523 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.984 -8.915 10.687 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.762 -9.731 8.828 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.977 -9.310 12.892 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.771 -10.130 11.030 1.00 0.00 H new ATOM 0 HH TYR A 34 1.468 -10.199 13.216 1.00 0.00 H new ATOM 457 N GLU A 35 -3.551 -8.152 5.927 1.00 0.00 N ATOM 458 CA GLU A 35 -3.748 -7.738 4.543 1.00 0.00 C ATOM 459 C GLU A 35 -4.484 -6.402 4.474 1.00 0.00 C ATOM 460 O GLU A 35 -4.154 -5.543 3.657 1.00 0.00 O ATOM 461 CB GLU A 35 -4.531 -8.804 3.774 1.00 0.00 C ATOM 462 CG GLU A 35 -5.717 -9.361 4.543 1.00 0.00 C ATOM 463 CD GLU A 35 -6.700 -10.092 3.650 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.254 -10.929 2.838 1.00 0.00 O ATOM 465 OE2 GLU A 35 -7.915 -9.826 3.762 1.00 0.00 O ATOM 0 H GLU A 35 -3.893 -9.089 6.140 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.767 -7.617 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.885 -8.377 2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.858 -9.622 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.358 -10.042 5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.231 -8.545 5.052 1.00 0.00 H new ATOM 472 N GLU A 36 -5.482 -6.238 5.336 1.00 0.00 N ATOM 473 CA GLU A 36 -6.265 -5.009 5.372 1.00 0.00 C ATOM 474 C GLU A 36 -5.452 -3.862 5.966 1.00 0.00 C ATOM 475 O GLU A 36 -5.587 -2.712 5.550 1.00 0.00 O ATOM 476 CB GLU A 36 -7.545 -5.216 6.185 1.00 0.00 C ATOM 477 CG GLU A 36 -8.678 -4.287 5.784 1.00 0.00 C ATOM 478 CD GLU A 36 -9.483 -4.820 4.615 1.00 0.00 C ATOM 479 OE1 GLU A 36 -8.989 -4.742 3.470 1.00 0.00 O ATOM 480 OE2 GLU A 36 -10.607 -5.314 4.843 1.00 0.00 O ATOM 0 H GLU A 36 -5.767 -6.940 6.018 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.532 -4.750 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.875 -6.248 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.322 -5.068 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.339 -4.137 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.268 -3.311 5.523 1.00 0.00 H new ATOM 487 N ALA A 37 -4.609 -4.186 6.940 1.00 0.00 N ATOM 488 CA ALA A 37 -3.773 -3.185 7.591 1.00 0.00 C ATOM 489 C ALA A 37 -2.647 -2.728 6.671 1.00 0.00 C ATOM 490 O ALA A 37 -2.223 -1.572 6.717 1.00 0.00 O ATOM 491 CB ALA A 37 -3.205 -3.735 8.891 1.00 0.00 C ATOM 0 H ALA A 37 -4.487 -5.134 7.296 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.396 -2.320 7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.583 -2.976 9.366 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.022 -4.005 9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.602 -4.618 8.680 1.00 0.00 H new ATOM 497 N LEU A 38 -2.164 -3.641 5.835 1.00 0.00 N ATOM 498 CA LEU A 38 -1.085 -3.332 4.903 1.00 0.00 C ATOM 499 C LEU A 38 -1.459 -2.154 4.010 1.00 0.00 C ATOM 500 O LEU A 38 -0.807 -1.110 4.039 1.00 0.00 O ATOM 501 CB LEU A 38 -0.760 -4.555 4.045 1.00 0.00 C ATOM 502 CG LEU A 38 0.148 -4.308 2.840 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.589 -4.117 3.288 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.044 -5.457 1.848 1.00 0.00 C ATOM 0 H LEU A 38 -2.503 -4.602 5.784 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.203 -3.059 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.290 -5.305 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.697 -4.982 3.687 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.181 -3.395 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.221 -3.942 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.651 -3.260 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.929 -5.011 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.697 -5.263 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.346 -6.385 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.986 -5.547 1.502 1.00 0.00 H new ATOM 516 N GLN A 39 -2.512 -2.328 3.219 1.00 0.00 N ATOM 517 CA GLN A 39 -2.973 -1.278 2.318 1.00 0.00 C ATOM 518 C GLN A 39 -3.098 0.053 3.052 1.00 0.00 C ATOM 519 O GLN A 39 -2.482 1.047 2.665 1.00 0.00 O ATOM 520 CB GLN A 39 -4.319 -1.661 1.700 1.00 0.00 C ATOM 521 CG GLN A 39 -4.226 -2.802 0.699 1.00 0.00 C ATOM 522 CD GLN A 39 -3.151 -2.576 -0.346 1.00 0.00 C ATOM 523 OE1 GLN A 39 -3.427 -2.083 -1.440 1.00 0.00 O ATOM 524 NE2 GLN A 39 -1.917 -2.936 -0.013 1.00 0.00 N ATOM 0 H GLN A 39 -3.062 -3.186 3.183 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.235 -1.166 1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.008 -1.942 2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.744 -0.788 1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.021 -3.731 1.231 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.189 -2.925 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.734 -3.341 0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.152 -2.808 -0.675 1.00 0.00 H new ATOM 533 N LEU A 40 -3.898 0.065 4.112 1.00 0.00 N ATOM 534 CA LEU A 40 -4.104 1.275 4.901 1.00 0.00 C ATOM 535 C LEU A 40 -2.770 1.916 5.273 1.00 0.00 C ATOM 536 O LEU A 40 -2.617 3.136 5.208 1.00 0.00 O ATOM 537 CB LEU A 40 -4.898 0.952 6.168 1.00 0.00 C ATOM 538 CG LEU A 40 -6.379 0.630 5.968 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.934 -0.107 7.177 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.171 1.903 5.707 1.00 0.00 C ATOM 0 H LEU A 40 -4.415 -0.749 4.445 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.670 1.983 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.426 0.103 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.820 1.800 6.848 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.475 -0.019 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.989 -0.327 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.386 -1.039 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.825 0.516 8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.223 1.655 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.067 2.577 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.791 2.391 4.809 1.00 0.00 H new ATOM 552 N TYR A 41 -1.808 1.086 5.660 1.00 0.00 N ATOM 553 CA TYR A 41 -0.488 1.572 6.042 1.00 0.00 C ATOM 554 C TYR A 41 0.178 2.309 4.884 1.00 0.00 C ATOM 555 O TYR A 41 0.844 3.325 5.082 1.00 0.00 O ATOM 556 CB TYR A 41 0.395 0.409 6.496 1.00 0.00 C ATOM 557 CG TYR A 41 0.299 0.117 7.976 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.532 1.113 8.917 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.022 -1.155 8.435 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.446 0.851 10.271 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.111 -1.425 9.786 1.00 0.00 C ATOM 562 CZ TYR A 41 0.124 -0.419 10.700 1.00 0.00 C ATOM 563 OH TYR A 41 0.037 -0.685 12.048 1.00 0.00 O ATOM 0 H TYR A 41 -1.918 0.074 5.717 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.612 2.270 6.870 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.117 -0.486 5.939 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.432 0.632 6.245 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.785 2.109 8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.205 -1.946 7.723 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.630 1.637 10.989 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.363 -2.419 10.125 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.200 -1.627 12.181 1.00 0.00 H new ATOM 573 N GLN A 42 -0.009 1.789 3.675 1.00 0.00 N ATOM 574 CA GLN A 42 0.573 2.397 2.484 1.00 0.00 C ATOM 575 C GLN A 42 -0.161 3.682 2.116 1.00 0.00 C ATOM 576 O GLN A 42 0.457 4.733 1.938 1.00 0.00 O ATOM 577 CB GLN A 42 0.528 1.416 1.312 1.00 0.00 C ATOM 578 CG GLN A 42 1.204 0.086 1.605 1.00 0.00 C ATOM 579 CD GLN A 42 1.646 -0.634 0.346 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.724 -0.370 -0.187 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.814 -1.550 -0.136 1.00 0.00 N ATOM 0 H GLN A 42 -0.558 0.949 3.494 1.00 0.00 H new ATOM 0 HA GLN A 42 1.612 2.643 2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.512 1.234 1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.007 1.874 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.070 0.256 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.517 -0.552 2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.070 -1.736 0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.059 -2.067 -0.981 1.00 0.00 H new ATOM 590 N HIS A 43 -1.482 3.592 2.002 1.00 0.00 N ATOM 591 CA HIS A 43 -2.300 4.749 1.654 1.00 0.00 C ATOM 592 C HIS A 43 -1.973 5.936 2.555 1.00 0.00 C ATOM 593 O HIS A 43 -1.709 7.038 2.075 1.00 0.00 O ATOM 594 CB HIS A 43 -3.785 4.402 1.767 1.00 0.00 C ATOM 595 CG HIS A 43 -4.358 3.807 0.518 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.562 4.533 -0.637 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.768 2.546 0.245 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.075 3.745 -1.564 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.210 2.534 -1.055 1.00 0.00 N ATOM 0 H HIS A 43 -2.009 2.731 2.145 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.076 5.025 0.624 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.924 3.701 2.590 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.342 5.304 2.019 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.751 1.706 0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.339 4.041 -2.568 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.582 1.722 -1.547 1.00 0.00 H new ATOM 608 N ALA A 44 -1.994 5.704 3.863 1.00 0.00 N ATOM 609 CA ALA A 44 -1.698 6.753 4.831 1.00 0.00 C ATOM 610 C ALA A 44 -0.495 7.581 4.392 1.00 0.00 C ATOM 611 O ALA A 44 -0.510 8.809 4.475 1.00 0.00 O ATOM 612 CB ALA A 44 -1.453 6.150 6.206 1.00 0.00 C ATOM 0 H ALA A 44 -2.213 4.798 4.277 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.562 7.416 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.233 6.945 6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.342 5.609 6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.608 5.463 6.157 1.00 0.00 H new ATOM 618 N VAL A 45 0.547 6.901 3.925 1.00 0.00 N ATOM 619 CA VAL A 45 1.759 7.574 3.472 1.00 0.00 C ATOM 620 C VAL A 45 1.512 8.337 2.175 1.00 0.00 C ATOM 621 O VAL A 45 1.901 9.497 2.043 1.00 0.00 O ATOM 622 CB VAL A 45 2.909 6.573 3.256 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.133 7.280 2.693 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.247 5.860 4.556 1.00 0.00 C ATOM 0 H VAL A 45 0.576 5.884 3.850 1.00 0.00 H new ATOM 0 HA VAL A 45 2.042 8.277 4.255 1.00 0.00 H new ATOM 0 HB VAL A 45 2.585 5.825 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.936 6.557 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.880 7.740 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.461 8.050 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.062 5.157 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.551 6.592 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.370 5.320 4.913 1.00 0.00 H new ATOM 634 N GLN A 46 0.863 7.677 1.222 1.00 0.00 N ATOM 635 CA GLN A 46 0.565 8.293 -0.066 1.00 0.00 C ATOM 636 C GLN A 46 -0.062 9.671 0.123 1.00 0.00 C ATOM 637 O GLN A 46 0.345 10.642 -0.516 1.00 0.00 O ATOM 638 CB GLN A 46 -0.375 7.400 -0.877 1.00 0.00 C ATOM 639 CG GLN A 46 0.259 6.089 -1.314 1.00 0.00 C ATOM 640 CD GLN A 46 -0.387 5.514 -2.559 1.00 0.00 C ATOM 641 OE1 GLN A 46 -1.593 5.654 -2.767 1.00 0.00 O ATOM 642 NE2 GLN A 46 0.412 4.863 -3.395 1.00 0.00 N ATOM 0 H GLN A 46 0.533 6.716 1.317 1.00 0.00 H new ATOM 0 HA GLN A 46 1.502 8.411 -0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.262 7.184 -0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.709 7.945 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.321 6.248 -1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.183 5.365 -0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.406 4.771 -3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.033 4.455 -4.249 1.00 0.00 H new ATOM 651 N TYR A 47 -1.053 9.749 1.003 1.00 0.00 N ATOM 652 CA TYR A 47 -1.738 11.008 1.274 1.00 0.00 C ATOM 653 C TYR A 47 -0.816 11.985 1.996 1.00 0.00 C ATOM 654 O TYR A 47 -0.741 13.162 1.644 1.00 0.00 O ATOM 655 CB TYR A 47 -2.994 10.759 2.111 1.00 0.00 C ATOM 656 CG TYR A 47 -4.124 10.122 1.334 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.998 10.896 0.581 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.317 8.746 1.353 1.00 0.00 C ATOM 659 CE1 TYR A 47 -6.032 10.318 -0.130 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.347 8.160 0.644 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.202 8.950 -0.096 1.00 0.00 C ATOM 662 OH TYR A 47 -7.231 8.370 -0.803 1.00 0.00 O ATOM 0 H TYR A 47 -1.401 8.955 1.541 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.027 11.448 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.737 10.117 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.338 11.707 2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.867 11.968 0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.650 8.124 1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.704 10.934 -0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.482 7.089 0.669 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.210 7.399 -0.674 1.00 0.00 H new ATOM 672 N PHE A 48 -0.116 11.488 3.010 1.00 0.00 N ATOM 673 CA PHE A 48 0.801 12.316 3.785 1.00 0.00 C ATOM 674 C PHE A 48 1.790 13.033 2.870 1.00 0.00 C ATOM 675 O PHE A 48 1.891 14.260 2.887 1.00 0.00 O ATOM 676 CB PHE A 48 1.559 11.460 4.803 1.00 0.00 C ATOM 677 CG PHE A 48 0.807 11.249 6.085 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.221 12.318 6.745 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.686 9.982 6.633 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.472 12.127 7.925 1.00 0.00 C ATOM 681 CE2 PHE A 48 -0.006 9.784 7.812 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.585 10.858 8.460 1.00 0.00 C ATOM 0 H PHE A 48 -0.166 10.516 3.314 1.00 0.00 H new ATOM 0 HA PHE A 48 0.214 13.065 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.781 10.490 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.515 11.935 5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.307 13.312 6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.138 9.139 6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.925 12.968 8.428 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.094 8.791 8.227 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.125 10.706 9.383 1.00 0.00 H new ATOM 692 N LEU A 49 2.519 12.258 2.074 1.00 0.00 N ATOM 693 CA LEU A 49 3.501 12.818 1.152 1.00 0.00 C ATOM 694 C LEU A 49 2.883 13.925 0.303 1.00 0.00 C ATOM 695 O LEU A 49 3.362 15.059 0.298 1.00 0.00 O ATOM 696 CB LEU A 49 4.064 11.721 0.248 1.00 0.00 C ATOM 697 CG LEU A 49 5.079 10.776 0.892 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.438 9.647 -0.063 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.327 11.539 1.311 1.00 0.00 C ATOM 0 H LEU A 49 2.449 11.241 2.049 1.00 0.00 H new ATOM 0 HA LEU A 49 4.312 13.247 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.232 11.126 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.534 12.194 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 49 4.627 10.341 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.161 8.985 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.540 9.083 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.871 10.064 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.038 10.851 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.781 12.002 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.057 12.311 2.031 1.00 0.00 H new ATOM 711 N HIS A 50 1.814 13.588 -0.412 1.00 0.00 N ATOM 712 CA HIS A 50 1.128 14.554 -1.263 1.00 0.00 C ATOM 713 C HIS A 50 0.986 15.897 -0.554 1.00 0.00 C ATOM 714 O HIS A 50 1.055 16.953 -1.183 1.00 0.00 O ATOM 715 CB HIS A 50 -0.251 14.026 -1.660 1.00 0.00 C ATOM 716 CG HIS A 50 -0.723 14.526 -2.991 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.324 13.971 -4.188 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.567 15.535 -3.308 1.00 0.00 C ATOM 719 CE1 HIS A 50 -0.901 14.619 -5.185 1.00 0.00 C ATOM 720 NE2 HIS A 50 -1.661 15.572 -4.678 1.00 0.00 N ATOM 0 H HIS A 50 1.404 12.654 -0.419 1.00 0.00 H new ATOM 0 HA HIS A 50 1.726 14.699 -2.162 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.222 12.937 -1.680 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.974 14.312 -0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.073 16.189 -2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.773 14.405 -6.236 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.226 16.229 -5.216 1.00 0.00 H new ATOM 729 N VAL A 51 0.787 15.850 0.759 1.00 0.00 N ATOM 730 CA VAL A 51 0.636 17.063 1.554 1.00 0.00 C ATOM 731 C VAL A 51 1.961 17.805 1.682 1.00 0.00 C ATOM 732 O VAL A 51 2.031 19.016 1.468 1.00 0.00 O ATOM 733 CB VAL A 51 0.098 16.749 2.962 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.069 18.028 3.769 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.217 15.989 2.873 1.00 0.00 C ATOM 0 H VAL A 51 0.727 14.984 1.295 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.082 17.695 1.032 1.00 0.00 H new ATOM 0 HB VAL A 51 0.823 16.117 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.450 17.785 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.895 18.527 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.772 18.689 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.583 15.776 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.951 16.593 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.061 15.053 2.337 1.00 0.00 H new ATOM 745 N VAL A 52 3.013 17.071 2.031 1.00 0.00 N ATOM 746 CA VAL A 52 4.338 17.659 2.186 1.00 0.00 C ATOM 747 C VAL A 52 4.902 18.106 0.842 1.00 0.00 C ATOM 748 O VAL A 52 5.975 18.705 0.774 1.00 0.00 O ATOM 749 CB VAL A 52 5.320 16.666 2.837 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.721 17.255 2.886 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.844 16.284 4.230 1.00 0.00 C ATOM 0 H VAL A 52 2.973 16.068 2.212 1.00 0.00 H new ATOM 0 HA VAL A 52 4.225 18.527 2.836 1.00 0.00 H new ATOM 0 HB VAL A 52 5.353 15.762 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.401 16.539 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.059 17.474 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.709 18.175 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.549 15.582 4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.780 17.178 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.861 15.818 4.163 1.00 0.00 H new ATOM 761 N LYS A 53 4.170 17.812 -0.228 1.00 0.00 N ATOM 762 CA LYS A 53 4.594 18.184 -1.572 1.00 0.00 C ATOM 763 C LYS A 53 3.931 19.486 -2.010 1.00 0.00 C ATOM 764 O LYS A 53 4.609 20.458 -2.344 1.00 0.00 O ATOM 765 CB LYS A 53 4.257 17.068 -2.563 1.00 0.00 C ATOM 766 CG LYS A 53 4.855 17.279 -3.943 1.00 0.00 C ATOM 767 CD LYS A 53 4.646 16.066 -4.833 1.00 0.00 C ATOM 768 CE LYS A 53 5.609 14.943 -4.481 1.00 0.00 C ATOM 769 NZ LYS A 53 5.165 13.635 -5.038 1.00 0.00 N ATOM 0 H LYS A 53 3.279 17.317 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 53 5.674 18.334 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.613 16.119 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.174 16.989 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.401 18.154 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.922 17.484 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.620 15.712 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.784 16.351 -5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.601 15.182 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.696 14.865 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.848 12.896 -4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.229 13.394 -4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.107 13.701 -6.074 1.00 0.00 H new ATOM 783 N TYR A 54 2.603 19.499 -2.006 1.00 0.00 N ATOM 784 CA TYR A 54 1.848 20.681 -2.404 1.00 0.00 C ATOM 785 C TYR A 54 1.285 21.404 -1.184 1.00 0.00 C ATOM 786 O TYR A 54 1.525 22.596 -0.991 1.00 0.00 O ATOM 787 CB TYR A 54 0.710 20.291 -3.349 1.00 0.00 C ATOM 788 CG TYR A 54 1.164 19.472 -4.537 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.215 18.085 -4.470 1.00 0.00 C ATOM 790 CD2 TYR A 54 1.542 20.085 -5.725 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.629 17.333 -5.552 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.956 19.340 -6.812 1.00 0.00 C ATOM 793 CZ TYR A 54 1.998 17.965 -6.721 1.00 0.00 C ATOM 794 OH TYR A 54 2.411 17.220 -7.802 1.00 0.00 O ATOM 0 H TYR A 54 2.027 18.704 -1.731 1.00 0.00 H new ATOM 0 HA TYR A 54 2.527 21.357 -2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.036 19.725 -2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.220 21.196 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.926 17.587 -3.556 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.512 21.162 -5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.664 16.256 -5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.245 19.832 -7.729 1.00 0.00 H new ATOM 0 HH TYR A 54 2.634 17.818 -8.546 1.00 0.00 H new ATOM 804 N GLU A 55 0.536 20.674 -0.365 1.00 0.00 N ATOM 805 CA GLU A 55 -0.061 21.246 0.837 1.00 0.00 C ATOM 806 C GLU A 55 0.943 21.269 1.986 1.00 0.00 C ATOM 807 O GLU A 55 0.590 21.014 3.137 1.00 0.00 O ATOM 808 CB GLU A 55 -1.302 20.449 1.245 1.00 0.00 C ATOM 809 CG GLU A 55 -2.329 20.309 0.134 1.00 0.00 C ATOM 810 CD GLU A 55 -3.290 21.481 0.077 1.00 0.00 C ATOM 811 OE1 GLU A 55 -3.976 21.734 1.089 1.00 0.00 O ATOM 812 OE2 GLU A 55 -3.355 22.145 -0.979 1.00 0.00 O ATOM 0 H GLU A 55 0.328 19.686 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.354 22.272 0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.994 19.455 1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.770 20.935 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.814 20.219 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.893 19.388 0.280 1.00 0.00 H new ATOM 819 N ALA A 56 2.195 21.575 1.663 1.00 0.00 N ATOM 820 CA ALA A 56 3.250 21.632 2.667 1.00 0.00 C ATOM 821 C ALA A 56 2.836 22.502 3.849 1.00 0.00 C ATOM 822 O ALA A 56 2.438 23.653 3.675 1.00 0.00 O ATOM 823 CB ALA A 56 4.538 22.156 2.050 1.00 0.00 C ATOM 0 H ALA A 56 2.503 21.787 0.714 1.00 0.00 H new ATOM 0 HA ALA A 56 3.422 20.621 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.317 22.193 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.851 21.494 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.370 23.157 1.653 1.00 0.00 H new ATOM 829 N GLN A 57 2.932 21.943 5.051 1.00 0.00 N ATOM 830 CA GLN A 57 2.565 22.668 6.262 1.00 0.00 C ATOM 831 C GLN A 57 3.694 23.591 6.706 1.00 0.00 C ATOM 832 O GLN A 57 3.576 24.814 6.632 1.00 0.00 O ATOM 833 CB GLN A 57 2.220 21.687 7.384 1.00 0.00 C ATOM 834 CG GLN A 57 1.061 20.763 7.050 1.00 0.00 C ATOM 835 CD GLN A 57 -0.284 21.353 7.427 1.00 0.00 C ATOM 836 OE1 GLN A 57 -0.714 22.359 6.862 1.00 0.00 O ATOM 837 NE2 GLN A 57 -0.956 20.729 8.388 1.00 0.00 N ATOM 0 H GLN A 57 3.261 20.991 5.212 1.00 0.00 H new ATOM 0 HA GLN A 57 1.689 23.277 6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.100 21.085 7.612 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.977 22.250 8.285 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.071 20.545 5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.196 19.815 7.570 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.562 19.898 8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.866 21.081 8.685 1.00 0.00 H new ATOM 846 N GLY A 58 4.791 22.998 7.169 1.00 0.00 N ATOM 847 CA GLY A 58 5.925 23.782 7.619 1.00 0.00 C ATOM 848 C GLY A 58 7.164 22.937 7.841 1.00 0.00 C ATOM 849 O GLY A 58 7.068 21.778 8.245 1.00 0.00 O ATOM 0 H GLY A 58 4.914 21.988 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.144 24.555 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.665 24.291 8.547 1.00 0.00 H new ATOM 853 N ASP A 59 8.329 23.516 7.575 1.00 0.00 N ATOM 854 CA ASP A 59 9.592 22.808 7.748 1.00 0.00 C ATOM 855 C ASP A 59 9.524 21.858 8.940 1.00 0.00 C ATOM 856 O ASP A 59 9.951 20.706 8.855 1.00 0.00 O ATOM 857 CB ASP A 59 10.738 23.803 7.938 1.00 0.00 C ATOM 858 CG ASP A 59 10.656 24.534 9.263 1.00 0.00 C ATOM 859 OD1 ASP A 59 9.790 25.424 9.398 1.00 0.00 O ATOM 860 OD2 ASP A 59 11.457 24.215 10.166 1.00 0.00 O ATOM 0 H ASP A 59 8.425 24.474 7.239 1.00 0.00 H new ATOM 0 HA ASP A 59 9.777 22.221 6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.689 23.274 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.724 24.528 7.125 1.00 0.00 H new ATOM 865 N LYS A 60 8.986 22.349 10.051 1.00 0.00 N ATOM 866 CA LYS A 60 8.861 21.546 11.261 1.00 0.00 C ATOM 867 C LYS A 60 7.880 20.396 11.052 1.00 0.00 C ATOM 868 O LYS A 60 8.171 19.250 11.394 1.00 0.00 O ATOM 869 CB LYS A 60 8.400 22.417 12.432 1.00 0.00 C ATOM 870 CG LYS A 60 8.518 21.734 13.783 1.00 0.00 C ATOM 871 CD LYS A 60 9.915 21.882 14.362 1.00 0.00 C ATOM 872 CE LYS A 60 10.850 20.800 13.847 1.00 0.00 C ATOM 873 NZ LYS A 60 11.970 20.537 14.793 1.00 0.00 N ATOM 0 H LYS A 60 8.629 23.301 10.138 1.00 0.00 H new ATOM 0 HA LYS A 60 9.841 21.128 11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.989 23.334 12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.362 22.707 12.271 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.790 22.161 14.473 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.276 20.676 13.679 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.315 22.863 14.104 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.866 21.834 15.450 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.287 19.880 13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.254 21.100 12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.585 19.793 14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.523 21.408 14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.586 20.226 15.708 1.00 0.00 H new ATOM 887 N ALA A 61 6.718 20.710 10.489 1.00 0.00 N ATOM 888 CA ALA A 61 5.697 19.703 10.231 1.00 0.00 C ATOM 889 C ALA A 61 6.212 18.629 9.279 1.00 0.00 C ATOM 890 O ALA A 61 6.173 17.438 9.589 1.00 0.00 O ATOM 891 CB ALA A 61 4.443 20.355 9.666 1.00 0.00 C ATOM 0 H ALA A 61 6.460 21.655 10.203 1.00 0.00 H new ATOM 0 HA ALA A 61 5.449 19.223 11.178 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.689 19.591 9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.055 21.079 10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.686 20.862 8.732 1.00 0.00 H new ATOM 897 N LYS A 62 6.695 19.058 8.117 1.00 0.00 N ATOM 898 CA LYS A 62 7.219 18.134 7.119 1.00 0.00 C ATOM 899 C LYS A 62 7.935 16.962 7.784 1.00 0.00 C ATOM 900 O LYS A 62 7.658 15.802 7.480 1.00 0.00 O ATOM 901 CB LYS A 62 8.178 18.861 6.174 1.00 0.00 C ATOM 902 CG LYS A 62 7.475 19.666 5.095 1.00 0.00 C ATOM 903 CD LYS A 62 7.193 21.087 5.554 1.00 0.00 C ATOM 904 CE LYS A 62 7.000 22.026 4.373 1.00 0.00 C ATOM 905 NZ LYS A 62 8.295 22.566 3.876 1.00 0.00 N ATOM 0 H LYS A 62 6.734 20.040 7.844 1.00 0.00 H new ATOM 0 HA LYS A 62 6.378 17.745 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.813 19.528 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.833 18.129 5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.092 19.689 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.539 19.177 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.300 21.098 6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.018 21.442 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.494 21.495 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.352 22.851 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.120 23.201 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.766 23.094 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.904 21.780 3.571 1.00 0.00 H new ATOM 919 N GLN A 63 8.854 17.275 8.692 1.00 0.00 N ATOM 920 CA GLN A 63 9.608 16.247 9.400 1.00 0.00 C ATOM 921 C GLN A 63 8.684 15.385 10.254 1.00 0.00 C ATOM 922 O GLN A 63 8.819 14.163 10.292 1.00 0.00 O ATOM 923 CB GLN A 63 10.684 16.888 10.277 1.00 0.00 C ATOM 924 CG GLN A 63 11.788 17.571 9.486 1.00 0.00 C ATOM 925 CD GLN A 63 12.511 16.619 8.553 1.00 0.00 C ATOM 926 OE1 GLN A 63 11.970 16.210 7.525 1.00 0.00 O ATOM 927 NE2 GLN A 63 13.740 16.263 8.906 1.00 0.00 N ATOM 0 H GLN A 63 9.094 18.231 8.954 1.00 0.00 H new ATOM 0 HA GLN A 63 10.087 15.608 8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.216 17.619 10.936 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.126 16.122 10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.361 18.389 8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.506 18.012 10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.149 16.627 9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.276 15.626 8.316 1.00 0.00 H new ATOM 936 N SER A 64 7.746 16.032 10.939 1.00 0.00 N ATOM 937 CA SER A 64 6.803 15.325 11.797 1.00 0.00 C ATOM 938 C SER A 64 6.041 14.264 11.009 1.00 0.00 C ATOM 939 O SER A 64 5.967 13.105 11.418 1.00 0.00 O ATOM 940 CB SER A 64 5.819 16.311 12.430 1.00 0.00 C ATOM 941 OG SER A 64 4.755 16.611 11.542 1.00 0.00 O ATOM 0 H SER A 64 7.619 17.044 10.916 1.00 0.00 H new ATOM 0 HA SER A 64 7.369 14.830 12.586 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.419 15.889 13.352 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.342 17.229 12.700 1.00 0.00 H new ATOM 0 HG SER A 64 5.103 17.103 10.769 1.00 0.00 H new ATOM 947 N ILE A 65 5.476 14.670 9.877 1.00 0.00 N ATOM 948 CA ILE A 65 4.721 13.755 9.030 1.00 0.00 C ATOM 949 C ILE A 65 5.629 12.691 8.423 1.00 0.00 C ATOM 950 O ILE A 65 5.310 11.502 8.443 1.00 0.00 O ATOM 951 CB ILE A 65 3.998 14.505 7.895 1.00 0.00 C ATOM 952 CG1 ILE A 65 2.886 15.387 8.465 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.433 13.518 6.884 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.571 16.592 7.607 1.00 0.00 C ATOM 0 H ILE A 65 5.527 15.626 9.525 1.00 0.00 H new ATOM 0 HA ILE A 65 3.979 13.275 9.668 1.00 0.00 H new ATOM 0 HB ILE A 65 4.718 15.145 7.385 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.983 14.788 8.582 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.176 15.725 9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.925 14.063 6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.245 12.928 6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.724 12.855 7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.774 17.171 8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.462 17.213 7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.250 16.261 6.619 1.00 0.00 H new ATOM 966 N ARG A 66 6.764 13.126 7.885 1.00 0.00 N ATOM 967 CA ARG A 66 7.720 12.211 7.273 1.00 0.00 C ATOM 968 C ARG A 66 8.048 11.057 8.215 1.00 0.00 C ATOM 969 O ARG A 66 7.867 9.890 7.870 1.00 0.00 O ATOM 970 CB ARG A 66 9.002 12.956 6.896 1.00 0.00 C ATOM 971 CG ARG A 66 8.905 13.707 5.578 1.00 0.00 C ATOM 972 CD ARG A 66 10.136 14.566 5.335 1.00 0.00 C ATOM 973 NE ARG A 66 11.260 13.782 4.832 1.00 0.00 N ATOM 974 CZ ARG A 66 12.098 13.112 5.616 1.00 0.00 C ATOM 975 NH1 ARG A 66 11.938 13.131 6.932 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.097 12.421 5.083 1.00 0.00 N ATOM 0 H ARG A 66 7.044 14.107 7.861 1.00 0.00 H new ATOM 0 HA ARG A 66 7.266 11.802 6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.249 13.662 7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.823 12.242 6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.789 12.996 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.015 14.337 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.894 15.352 4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.424 15.058 6.264 1.00 0.00 H new ATOM 0 HE ARG A 66 11.410 13.747 3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.170 13.661 7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.583 12.616 7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.222 12.404 4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.740 11.907 5.685 1.00 0.00 H new ATOM 990 N ALA A 67 8.530 11.392 9.407 1.00 0.00 N ATOM 991 CA ALA A 67 8.882 10.384 10.400 1.00 0.00 C ATOM 992 C ALA A 67 7.866 9.247 10.411 1.00 0.00 C ATOM 993 O ALA A 67 8.234 8.072 10.456 1.00 0.00 O ATOM 994 CB ALA A 67 8.984 11.016 11.780 1.00 0.00 C ATOM 0 H ALA A 67 8.686 12.354 9.709 1.00 0.00 H new ATOM 0 HA ALA A 67 9.852 9.967 10.131 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.247 10.252 12.511 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.752 11.789 11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.026 11.460 12.048 1.00 0.00 H new ATOM 1000 N LYS A 68 6.587 9.602 10.370 1.00 0.00 N ATOM 1001 CA LYS A 68 5.517 8.611 10.374 1.00 0.00 C ATOM 1002 C LYS A 68 5.534 7.786 9.091 1.00 0.00 C ATOM 1003 O LYS A 68 5.409 6.562 9.128 1.00 0.00 O ATOM 1004 CB LYS A 68 4.159 9.298 10.534 1.00 0.00 C ATOM 1005 CG LYS A 68 3.732 9.474 11.981 1.00 0.00 C ATOM 1006 CD LYS A 68 4.635 10.452 12.714 1.00 0.00 C ATOM 1007 CE LYS A 68 4.733 10.119 14.194 1.00 0.00 C ATOM 1008 NZ LYS A 68 5.108 11.309 15.007 1.00 0.00 N ATOM 0 H LYS A 68 6.265 10.569 10.334 1.00 0.00 H new ATOM 0 HA LYS A 68 5.680 7.940 11.218 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.197 10.276 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.402 8.715 10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.703 9.831 12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.752 8.509 12.487 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.630 10.433 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.251 11.465 12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.777 9.728 14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.472 9.331 14.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.164 11.040 16.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.032 11.667 14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.390 12.052 14.887 1.00 0.00 H new ATOM 1022 N CYS A 69 5.689 8.464 7.960 1.00 0.00 N ATOM 1023 CA CYS A 69 5.723 7.794 6.665 1.00 0.00 C ATOM 1024 C CYS A 69 6.718 6.638 6.677 1.00 0.00 C ATOM 1025 O CYS A 69 6.421 5.543 6.199 1.00 0.00 O ATOM 1026 CB CYS A 69 6.089 8.787 5.562 1.00 0.00 C ATOM 1027 SG CYS A 69 4.855 10.081 5.293 1.00 0.00 S ATOM 0 H CYS A 69 5.793 9.478 7.913 1.00 0.00 H new ATOM 0 HA CYS A 69 4.730 7.392 6.466 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.042 9.255 5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.236 8.241 4.630 1.00 0.00 H new ATOM 0 HG CYS A 69 4.760 10.818 6.360 1.00 0.00 H new ATOM 1033 N THR A 70 7.903 6.890 7.225 1.00 0.00 N ATOM 1034 CA THR A 70 8.944 5.873 7.297 1.00 0.00 C ATOM 1035 C THR A 70 8.540 4.738 8.232 1.00 0.00 C ATOM 1036 O THR A 70 8.829 3.572 7.967 1.00 0.00 O ATOM 1037 CB THR A 70 10.280 6.469 7.779 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.711 7.496 6.879 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.349 5.392 7.877 1.00 0.00 C ATOM 0 H THR A 70 8.165 7.791 7.626 1.00 0.00 H new ATOM 0 HA THR A 70 9.073 5.481 6.288 1.00 0.00 H new ATOM 0 HB THR A 70 10.126 6.896 8.770 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.560 7.871 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.283 5.837 8.219 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.031 4.627 8.585 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.500 4.939 6.897 1.00 0.00 H new ATOM 1047 N GLU A 71 7.870 5.089 9.326 1.00 0.00 N ATOM 1048 CA GLU A 71 7.428 4.098 10.299 1.00 0.00 C ATOM 1049 C GLU A 71 6.347 3.198 9.707 1.00 0.00 C ATOM 1050 O GLU A 71 6.529 1.985 9.590 1.00 0.00 O ATOM 1051 CB GLU A 71 6.898 4.788 11.558 1.00 0.00 C ATOM 1052 CG GLU A 71 6.352 3.824 12.597 1.00 0.00 C ATOM 1053 CD GLU A 71 7.383 2.808 13.049 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.378 3.216 13.683 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.195 1.606 12.769 1.00 0.00 O ATOM 0 H GLU A 71 7.622 6.050 9.560 1.00 0.00 H new ATOM 0 HA GLU A 71 8.286 3.480 10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.700 5.375 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.111 5.487 11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.000 4.388 13.461 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.489 3.301 12.184 1.00 0.00 H new ATOM 1062 N TYR A 72 5.223 3.799 9.335 1.00 0.00 N ATOM 1063 CA TYR A 72 4.112 3.053 8.757 1.00 0.00 C ATOM 1064 C TYR A 72 4.569 2.244 7.547 1.00 0.00 C ATOM 1065 O TYR A 72 4.124 1.115 7.335 1.00 0.00 O ATOM 1066 CB TYR A 72 2.986 4.006 8.352 1.00 0.00 C ATOM 1067 CG TYR A 72 2.453 4.835 9.498 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.196 4.261 10.737 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.205 6.194 9.343 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.709 5.014 11.787 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.719 6.955 10.387 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.472 6.361 11.608 1.00 0.00 C ATOM 1073 OH TYR A 72 0.986 7.116 12.650 1.00 0.00 O ATOM 0 H TYR A 72 5.057 4.801 9.423 1.00 0.00 H new ATOM 0 HA TYR A 72 3.740 2.362 9.513 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.350 4.673 7.570 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.168 3.427 7.922 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.380 3.207 10.881 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.396 6.663 8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.515 4.551 12.743 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.533 8.010 10.249 1.00 0.00 H new ATOM 0 HH TYR A 72 0.876 8.045 12.358 1.00 0.00 H new ATOM 1083 N LEU A 73 5.461 2.830 6.755 1.00 0.00 N ATOM 1084 CA LEU A 73 5.981 2.165 5.565 1.00 0.00 C ATOM 1085 C LEU A 73 6.738 0.895 5.938 1.00 0.00 C ATOM 1086 O LEU A 73 6.526 -0.163 5.346 1.00 0.00 O ATOM 1087 CB LEU A 73 6.899 3.111 4.789 1.00 0.00 C ATOM 1088 CG LEU A 73 6.209 4.066 3.814 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.173 5.151 3.358 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.659 3.302 2.619 1.00 0.00 C ATOM 0 H LEU A 73 5.839 3.764 6.915 1.00 0.00 H new ATOM 0 HA LEU A 73 5.136 1.890 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.467 3.704 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.618 2.511 4.231 1.00 0.00 H new ATOM 0 HG LEU A 73 5.375 4.543 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.665 5.821 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.519 5.717 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.027 4.693 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.171 3.997 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.476 2.798 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.935 2.563 2.962 1.00 0.00 H new ATOM 1102 N ASP A 74 7.620 1.007 6.925 1.00 0.00 N ATOM 1103 CA ASP A 74 8.407 -0.134 7.380 1.00 0.00 C ATOM 1104 C ASP A 74 7.503 -1.239 7.916 1.00 0.00 C ATOM 1105 O ASP A 74 7.733 -2.421 7.662 1.00 0.00 O ATOM 1106 CB ASP A 74 9.397 0.302 8.462 1.00 0.00 C ATOM 1107 CG ASP A 74 10.632 -0.576 8.503 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.551 -1.688 9.066 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.681 -0.152 7.973 1.00 0.00 O ATOM 0 H ASP A 74 7.808 1.876 7.425 1.00 0.00 H new ATOM 0 HA ASP A 74 8.961 -0.525 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.695 1.335 8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.904 0.276 9.434 1.00 0.00 H new ATOM 1114 N ARG A 75 6.474 -0.846 8.660 1.00 0.00 N ATOM 1115 CA ARG A 75 5.536 -1.804 9.234 1.00 0.00 C ATOM 1116 C ARG A 75 4.847 -2.613 8.139 1.00 0.00 C ATOM 1117 O ARG A 75 4.809 -3.842 8.193 1.00 0.00 O ATOM 1118 CB ARG A 75 4.489 -1.079 10.082 1.00 0.00 C ATOM 1119 CG ARG A 75 3.380 -1.987 10.587 1.00 0.00 C ATOM 1120 CD ARG A 75 3.901 -2.990 11.605 1.00 0.00 C ATOM 1121 NE ARG A 75 2.878 -3.362 12.579 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.119 -4.119 13.644 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.340 -4.582 13.870 1.00 0.00 N ATOM 1124 NH2 ARG A 75 2.136 -4.414 14.485 1.00 0.00 N ATOM 0 H ARG A 75 6.269 0.129 8.879 1.00 0.00 H new ATOM 0 HA ARG A 75 6.098 -2.489 9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.983 -0.614 10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.049 -0.275 9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.592 -1.384 11.039 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.933 -2.518 9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.251 -3.883 11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.760 -2.566 12.125 1.00 0.00 H new ATOM 0 HE ARG A 75 1.927 -3.022 12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.098 -4.357 13.225 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.522 -5.163 14.689 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.195 -4.060 14.314 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.321 -4.995 15.302 1.00 0.00 H new ATOM 1138 N ALA A 76 4.304 -1.915 7.147 1.00 0.00 N ATOM 1139 CA ALA A 76 3.618 -2.568 6.039 1.00 0.00 C ATOM 1140 C ALA A 76 4.538 -3.558 5.332 1.00 0.00 C ATOM 1141 O ALA A 76 4.103 -4.628 4.907 1.00 0.00 O ATOM 1142 CB ALA A 76 3.098 -1.531 5.055 1.00 0.00 C ATOM 0 H ALA A 76 4.326 -0.897 7.088 1.00 0.00 H new ATOM 0 HA ALA A 76 2.772 -3.123 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.588 -2.033 4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.400 -0.866 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.933 -0.950 4.663 1.00 0.00 H new ATOM 1148 N GLU A 77 5.810 -3.193 5.208 1.00 0.00 N ATOM 1149 CA GLU A 77 6.789 -4.049 4.550 1.00 0.00 C ATOM 1150 C GLU A 77 6.799 -5.443 5.172 1.00 0.00 C ATOM 1151 O GLU A 77 6.920 -6.447 4.471 1.00 0.00 O ATOM 1152 CB GLU A 77 8.185 -3.429 4.640 1.00 0.00 C ATOM 1153 CG GLU A 77 8.375 -2.223 3.735 1.00 0.00 C ATOM 1154 CD GLU A 77 9.708 -1.534 3.954 1.00 0.00 C ATOM 1155 OE1 GLU A 77 10.682 -2.226 4.316 1.00 0.00 O ATOM 1156 OE2 GLU A 77 9.777 -0.302 3.762 1.00 0.00 O ATOM 0 H GLU A 77 6.186 -2.311 5.555 1.00 0.00 H new ATOM 0 HA GLU A 77 6.507 -4.140 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.376 -3.132 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.927 -4.186 4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.300 -2.539 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.569 -1.511 3.911 1.00 0.00 H new ATOM 1163 N LYS A 78 6.672 -5.495 6.493 1.00 0.00 N ATOM 1164 CA LYS A 78 6.665 -6.763 7.212 1.00 0.00 C ATOM 1165 C LYS A 78 5.412 -7.569 6.882 1.00 0.00 C ATOM 1166 O LYS A 78 5.497 -8.734 6.491 1.00 0.00 O ATOM 1167 CB LYS A 78 6.743 -6.519 8.721 1.00 0.00 C ATOM 1168 CG LYS A 78 8.084 -5.974 9.180 1.00 0.00 C ATOM 1169 CD LYS A 78 9.167 -7.039 9.125 1.00 0.00 C ATOM 1170 CE LYS A 78 9.209 -7.858 10.405 1.00 0.00 C ATOM 1171 NZ LYS A 78 8.172 -8.926 10.415 1.00 0.00 N ATOM 0 H LYS A 78 6.572 -4.673 7.088 1.00 0.00 H new ATOM 0 HA LYS A 78 7.538 -7.335 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.958 -5.819 9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.543 -7.455 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.370 -5.131 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.995 -5.596 10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.987 -7.698 8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.136 -6.566 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.195 -8.309 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.061 -7.200 11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.543 -9.765 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.325 -8.582 10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.923 -9.177 9.437 1.00 0.00 H new ATOM 1185 N LEU A 79 4.252 -6.942 7.040 1.00 0.00 N ATOM 1186 CA LEU A 79 2.982 -7.601 6.756 1.00 0.00 C ATOM 1187 C LEU A 79 3.062 -8.404 5.462 1.00 0.00 C ATOM 1188 O LEU A 79 2.454 -9.468 5.340 1.00 0.00 O ATOM 1189 CB LEU A 79 1.859 -6.566 6.659 1.00 0.00 C ATOM 1190 CG LEU A 79 1.538 -5.801 7.943 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.465 -4.755 7.687 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.098 -6.761 9.040 1.00 0.00 C ATOM 0 H LEU A 79 4.164 -5.979 7.363 1.00 0.00 H new ATOM 0 HA LEU A 79 2.766 -8.288 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.123 -5.844 5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.953 -7.072 6.326 1.00 0.00 H new ATOM 0 HG LEU A 79 2.442 -5.291 8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.250 -4.221 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.817 -4.050 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.442 -5.244 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.874 -6.199 9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.207 -7.299 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.898 -7.473 9.243 1.00 0.00 H new ATOM 1204 N LYS A 80 3.817 -7.889 4.498 1.00 0.00 N ATOM 1205 CA LYS A 80 3.980 -8.559 3.213 1.00 0.00 C ATOM 1206 C LYS A 80 4.744 -9.870 3.376 1.00 0.00 C ATOM 1207 O LYS A 80 4.289 -10.923 2.931 1.00 0.00 O ATOM 1208 CB LYS A 80 4.716 -7.647 2.229 1.00 0.00 C ATOM 1209 CG LYS A 80 3.967 -6.365 1.912 1.00 0.00 C ATOM 1210 CD LYS A 80 4.501 -5.703 0.653 1.00 0.00 C ATOM 1211 CE LYS A 80 4.230 -4.207 0.651 1.00 0.00 C ATOM 1212 NZ LYS A 80 4.958 -3.510 1.747 1.00 0.00 N ATOM 0 H LYS A 80 4.326 -7.009 4.582 1.00 0.00 H new ATOM 0 HA LYS A 80 2.988 -8.783 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.693 -7.395 2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.893 -8.193 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.906 -6.584 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.054 -5.675 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.574 -5.879 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.039 -6.159 -0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.528 -3.785 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.159 -4.032 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.829 -2.483 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.583 -3.821 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.971 -3.739 1.691 1.00 0.00 H new ATOM 1226 N GLU A 81 5.906 -9.796 4.018 1.00 0.00 N ATOM 1227 CA GLU A 81 6.731 -10.978 4.240 1.00 0.00 C ATOM 1228 C GLU A 81 6.038 -11.957 5.183 1.00 0.00 C ATOM 1229 O GLU A 81 6.459 -13.105 5.322 1.00 0.00 O ATOM 1230 CB GLU A 81 8.092 -10.576 4.815 1.00 0.00 C ATOM 1231 CG GLU A 81 8.638 -9.281 4.237 1.00 0.00 C ATOM 1232 CD GLU A 81 10.153 -9.227 4.256 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.782 -10.291 4.439 1.00 0.00 O ATOM 1234 OE2 GLU A 81 10.710 -8.123 4.087 1.00 0.00 O ATOM 0 H GLU A 81 6.297 -8.932 4.393 1.00 0.00 H new ATOM 0 HA GLU A 81 6.881 -11.471 3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.004 -10.473 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.807 -11.377 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.287 -9.169 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.241 -8.439 4.804 1.00 0.00 H new ATOM 1241 N TYR A 82 4.974 -11.493 5.829 1.00 0.00 N ATOM 1242 CA TYR A 82 4.223 -12.326 6.761 1.00 0.00 C ATOM 1243 C TYR A 82 2.991 -12.922 6.088 1.00 0.00 C ATOM 1244 O TYR A 82 2.583 -14.044 6.394 1.00 0.00 O ATOM 1245 CB TYR A 82 3.804 -11.508 7.985 1.00 0.00 C ATOM 1246 CG TYR A 82 2.565 -12.038 8.671 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.312 -11.902 8.088 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.649 -12.674 9.904 1.00 0.00 C ATOM 1249 CE1 TYR A 82 0.178 -12.383 8.712 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.520 -13.160 10.535 1.00 0.00 C ATOM 1251 CZ TYR A 82 0.287 -13.012 9.935 1.00 0.00 C ATOM 1252 OH TYR A 82 -0.841 -13.494 10.560 1.00 0.00 O ATOM 0 H TYR A 82 4.612 -10.545 5.725 1.00 0.00 H new ATOM 0 HA TYR A 82 4.870 -13.142 7.082 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.627 -11.492 8.700 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.627 -10.477 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.223 -11.412 7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.613 -12.790 10.377 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.789 -12.267 8.245 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.603 -13.653 11.492 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.591 -13.910 11.412 1.00 0.00 H new ATOM 1262 N LEU A 83 2.401 -12.165 5.170 1.00 0.00 N ATOM 1263 CA LEU A 83 1.215 -12.617 4.451 1.00 0.00 C ATOM 1264 C LEU A 83 1.588 -13.610 3.355 1.00 0.00 C ATOM 1265 O LEU A 83 0.858 -14.566 3.093 1.00 0.00 O ATOM 1266 CB LEU A 83 0.476 -11.423 3.844 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.379 -10.602 4.810 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.792 -9.285 4.169 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.605 -11.393 5.242 1.00 0.00 C ATOM 0 H LEU A 83 2.725 -11.235 4.906 1.00 0.00 H new ATOM 0 HA LEU A 83 0.559 -13.119 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.211 -10.760 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.166 -11.788 3.042 1.00 0.00 H new ATOM 0 HG LEU A 83 0.217 -10.382 5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.400 -8.714 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.098 -8.712 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.370 -9.485 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.202 -10.793 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.203 -11.644 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.290 -12.310 5.741 1.00 0.00 H new ATOM 1281 N LYS A 84 2.731 -13.377 2.718 1.00 0.00 N ATOM 1282 CA LYS A 84 3.204 -14.252 1.652 1.00 0.00 C ATOM 1283 C LYS A 84 3.570 -15.628 2.199 1.00 0.00 C ATOM 1284 O LYS A 84 3.418 -16.639 1.515 1.00 0.00 O ATOM 1285 CB LYS A 84 4.416 -13.630 0.954 1.00 0.00 C ATOM 1286 CG LYS A 84 5.647 -13.538 1.840 1.00 0.00 C ATOM 1287 CD LYS A 84 6.904 -13.291 1.024 1.00 0.00 C ATOM 1288 CE LYS A 84 6.902 -11.902 0.404 1.00 0.00 C ATOM 1289 NZ LYS A 84 8.107 -11.670 -0.440 1.00 0.00 N ATOM 0 H LYS A 84 3.347 -12.590 2.922 1.00 0.00 H new ATOM 0 HA LYS A 84 2.397 -14.371 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.658 -14.220 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.152 -12.631 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.517 -12.732 2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.757 -14.461 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.781 -13.405 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.982 -14.042 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.005 -11.776 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.862 -11.152 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.068 -10.713 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.963 -11.765 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.132 -12.370 -1.209 1.00 0.00 H new