USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 403 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 12 THR OG1 : rot -148:sc= 0.43 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.222 X(o=0.21,f=0.15) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.985 K(o=-0.99,f=-8.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= 1.22 (180deg=0.144) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.052 USER MOD Single : A 38 SER OG : rot 180:sc= 0.475 USER MOD Single : A 39 GLN : amide:sc= 0.839 K(o=0.84,f=-0.54) USER MOD Single : A 42 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.013) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.118 X(o=0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N THR A 12 -7.046 7.537 -4.393 1.00 0.00 N ATOM 180 CA THR A 12 -8.268 6.797 -4.104 1.00 0.00 C ATOM 181 C THR A 12 -9.253 7.709 -3.352 1.00 0.00 C ATOM 182 O THR A 12 -9.060 8.929 -3.271 1.00 0.00 O ATOM 183 CB THR A 12 -7.918 5.459 -3.404 1.00 0.00 C ATOM 184 OG1 THR A 12 -9.063 4.667 -3.150 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.183 5.595 -2.078 1.00 0.00 C ATOM 0 HA THR A 12 -8.789 6.505 -5.016 1.00 0.00 H new ATOM 0 HB THR A 12 -7.253 4.985 -4.126 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.924 4.143 -2.333 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.984 4.604 -1.669 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.240 6.118 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.798 6.160 -1.377 1.00 0.00 H new ATOM 193 N ALA A 13 -10.334 7.132 -2.844 1.00 0.00 N ATOM 194 CA ALA A 13 -11.296 7.722 -1.935 1.00 0.00 C ATOM 195 C ALA A 13 -11.696 6.660 -0.898 1.00 0.00 C ATOM 196 O ALA A 13 -12.864 6.544 -0.534 1.00 0.00 O ATOM 197 CB ALA A 13 -12.482 8.264 -2.738 1.00 0.00 C ATOM 0 H ALA A 13 -10.575 6.169 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.874 8.568 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.209 8.709 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.131 9.021 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.952 7.449 -3.288 1.00 0.00 H new ATOM 203 N PHE A 14 -10.728 5.849 -0.451 1.00 0.00 N ATOM 204 CA PHE A 14 -10.914 4.975 0.701 1.00 0.00 C ATOM 205 C PHE A 14 -11.032 5.816 1.982 1.00 0.00 C ATOM 206 O PHE A 14 -10.616 6.988 2.023 1.00 0.00 O ATOM 207 CB PHE A 14 -9.740 3.976 0.842 1.00 0.00 C ATOM 208 CG PHE A 14 -9.452 2.955 -0.252 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.471 2.167 -0.818 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.114 2.652 -0.574 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.165 1.164 -1.755 1.00 0.00 C ATOM 212 CE2 PHE A 14 -7.803 1.628 -1.484 1.00 0.00 C ATOM 213 CZ PHE A 14 -8.828 0.890 -2.087 1.00 0.00 C ATOM 0 H PHE A 14 -9.804 5.785 -0.878 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.832 4.407 0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.833 4.564 0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.901 3.420 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.498 2.334 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.316 3.216 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.961 0.602 -2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.772 1.410 -1.719 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.593 0.116 -2.802 1.00 0.00 H new ATOM 223 N THR A 15 -11.562 5.205 3.037 1.00 0.00 N ATOM 224 CA THR A 15 -11.818 5.805 4.335 1.00 0.00 C ATOM 225 C THR A 15 -10.632 5.460 5.244 1.00 0.00 C ATOM 226 O THR A 15 -10.042 4.391 5.101 1.00 0.00 O ATOM 227 CB THR A 15 -13.191 5.326 4.870 1.00 0.00 C ATOM 228 OG1 THR A 15 -13.159 4.015 5.390 1.00 0.00 O ATOM 229 CG2 THR A 15 -14.274 5.358 3.782 1.00 0.00 C ATOM 0 H THR A 15 -11.838 4.224 3.004 1.00 0.00 H new ATOM 0 HA THR A 15 -11.891 6.891 4.284 1.00 0.00 H new ATOM 0 HB THR A 15 -13.429 6.026 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.051 3.769 5.713 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.220 5.014 4.200 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.389 6.377 3.413 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.983 4.705 2.959 1.00 0.00 H new ATOM 237 N SER A 16 -10.278 6.342 6.177 1.00 0.00 N ATOM 238 CA SER A 16 -9.131 6.206 7.074 1.00 0.00 C ATOM 239 C SER A 16 -9.226 4.901 7.866 1.00 0.00 C ATOM 240 O SER A 16 -8.231 4.208 8.061 1.00 0.00 O ATOM 241 CB SER A 16 -9.136 7.465 7.954 1.00 0.00 C ATOM 242 OG SER A 16 -8.282 7.460 9.079 1.00 0.00 O ATOM 0 H SER A 16 -10.801 7.203 6.335 1.00 0.00 H new ATOM 0 HA SER A 16 -8.182 6.140 6.541 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.869 8.317 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.155 7.632 8.302 1.00 0.00 H new ATOM 0 HG SER A 16 -8.369 8.310 9.559 1.00 0.00 H new ATOM 248 N GLU A 17 -10.445 4.530 8.252 1.00 0.00 N ATOM 249 CA GLU A 17 -10.749 3.294 8.945 1.00 0.00 C ATOM 250 C GLU A 17 -10.313 2.073 8.132 1.00 0.00 C ATOM 251 O GLU A 17 -9.839 1.088 8.696 1.00 0.00 O ATOM 252 CB GLU A 17 -12.267 3.255 9.179 1.00 0.00 C ATOM 253 CG GLU A 17 -12.638 3.186 10.659 1.00 0.00 C ATOM 254 CD GLU A 17 -14.146 3.001 10.827 1.00 0.00 C ATOM 255 OE1 GLU A 17 -14.917 3.683 10.112 1.00 0.00 O ATOM 256 OE2 GLU A 17 -14.562 2.200 11.700 1.00 0.00 O ATOM 0 H GLU A 17 -11.270 5.105 8.082 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.206 3.261 9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.721 4.142 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.687 2.391 8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.110 2.359 11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.320 4.099 11.162 1.00 0.00 H new ATOM 263 N GLN A 18 -10.536 2.090 6.817 1.00 0.00 N ATOM 264 CA GLN A 18 -10.423 0.896 5.982 1.00 0.00 C ATOM 265 C GLN A 18 -8.979 0.685 5.510 1.00 0.00 C ATOM 266 O GLN A 18 -8.609 -0.399 5.062 1.00 0.00 O ATOM 267 CB GLN A 18 -11.490 0.979 4.873 1.00 0.00 C ATOM 268 CG GLN A 18 -11.131 1.537 3.493 1.00 0.00 C ATOM 269 CD GLN A 18 -12.388 1.753 2.628 1.00 0.00 C ATOM 270 OE1 GLN A 18 -12.526 2.740 1.927 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.355 0.856 2.627 1.00 0.00 N ATOM 0 H GLN A 18 -10.799 2.931 6.303 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.636 -0.012 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.877 -0.029 4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.311 1.582 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.600 2.482 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.453 0.850 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.273 0.017 3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.184 1.001 2.051 1.00 0.00 H new ATOM 280 N LEU A 19 -8.151 1.716 5.668 1.00 0.00 N ATOM 281 CA LEU A 19 -6.702 1.663 5.458 1.00 0.00 C ATOM 282 C LEU A 19 -5.968 0.859 6.537 1.00 0.00 C ATOM 283 O LEU A 19 -4.830 0.468 6.291 1.00 0.00 O ATOM 284 CB LEU A 19 -6.106 3.084 5.404 1.00 0.00 C ATOM 285 CG LEU A 19 -6.741 4.013 4.357 1.00 0.00 C ATOM 286 CD1 LEU A 19 -5.971 5.327 4.227 1.00 0.00 C ATOM 287 CD2 LEU A 19 -6.901 3.358 2.981 1.00 0.00 C ATOM 0 H LEU A 19 -8.477 2.639 5.954 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.557 1.155 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.210 3.543 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.038 3.007 5.200 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.743 4.225 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.450 5.957 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.968 5.843 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.945 5.119 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.355 4.069 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.923 3.060 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.539 2.479 3.069 1.00 0.00 H new ATOM 299 N LEU A 20 -6.566 0.591 7.704 1.00 0.00 N ATOM 300 CA LEU A 20 -5.858 -0.049 8.808 1.00 0.00 C ATOM 301 C LEU A 20 -5.468 -1.477 8.439 1.00 0.00 C ATOM 302 O LEU A 20 -4.318 -1.876 8.620 1.00 0.00 O ATOM 303 CB LEU A 20 -6.753 -0.033 10.058 1.00 0.00 C ATOM 304 CG LEU A 20 -6.578 1.224 10.930 1.00 0.00 C ATOM 305 CD1 LEU A 20 -7.731 1.326 11.935 1.00 0.00 C ATOM 306 CD2 LEU A 20 -5.255 1.186 11.705 1.00 0.00 C ATOM 0 H LEU A 20 -7.542 0.810 7.904 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.941 0.501 9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.795 -0.107 9.748 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.536 -0.915 10.660 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.574 2.089 10.266 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.601 2.217 12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.677 1.390 11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.736 0.443 12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.162 2.087 12.311 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.238 0.310 12.353 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.423 1.134 11.003 1.00 0.00 H new ATOM 318 N GLU A 21 -6.429 -2.233 7.908 1.00 0.00 N ATOM 319 CA GLU A 21 -6.280 -3.632 7.519 1.00 0.00 C ATOM 320 C GLU A 21 -5.349 -3.763 6.310 1.00 0.00 C ATOM 321 O GLU A 21 -4.570 -4.714 6.209 1.00 0.00 O ATOM 322 CB GLU A 21 -7.662 -4.170 7.140 1.00 0.00 C ATOM 323 CG GLU A 21 -8.639 -4.251 8.317 1.00 0.00 C ATOM 324 CD GLU A 21 -8.478 -5.561 9.075 1.00 0.00 C ATOM 325 OE1 GLU A 21 -7.532 -5.697 9.881 1.00 0.00 O ATOM 326 OE2 GLU A 21 -9.261 -6.492 8.806 1.00 0.00 O ATOM 0 H GLU A 21 -7.367 -1.873 7.731 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.852 -4.194 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.091 -3.531 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.548 -5.163 6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.469 -3.413 8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.662 -4.163 7.951 1.00 0.00 H new ATOM 333 N LEU A 22 -5.439 -2.803 5.386 1.00 0.00 N ATOM 334 CA LEU A 22 -4.589 -2.706 4.209 1.00 0.00 C ATOM 335 C LEU A 22 -3.139 -2.619 4.657 1.00 0.00 C ATOM 336 O LEU A 22 -2.294 -3.399 4.211 1.00 0.00 O ATOM 337 CB LEU A 22 -4.976 -1.437 3.414 1.00 0.00 C ATOM 338 CG LEU A 22 -6.171 -1.549 2.461 1.00 0.00 C ATOM 339 CD1 LEU A 22 -6.443 -0.197 1.795 1.00 0.00 C ATOM 340 CD2 LEU A 22 -5.929 -2.595 1.373 1.00 0.00 C ATOM 0 H LEU A 22 -6.127 -2.052 5.443 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.718 -3.581 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.186 -0.641 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.108 -1.123 2.834 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.032 -1.856 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.294 -0.289 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.665 0.547 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.564 0.114 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.798 -2.645 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.050 -2.318 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.766 -3.569 1.834 1.00 0.00 H new ATOM 352 N GLU A 23 -2.849 -1.659 5.527 1.00 0.00 N ATOM 353 CA GLU A 23 -1.513 -1.424 6.034 1.00 0.00 C ATOM 354 C GLU A 23 -1.016 -2.599 6.869 1.00 0.00 C ATOM 355 O GLU A 23 0.146 -2.979 6.730 1.00 0.00 O ATOM 356 CB GLU A 23 -1.525 -0.150 6.867 1.00 0.00 C ATOM 357 CG GLU A 23 -1.603 1.095 5.991 1.00 0.00 C ATOM 358 CD GLU A 23 -1.548 2.363 6.842 1.00 0.00 C ATOM 359 OE1 GLU A 23 -0.637 2.453 7.702 1.00 0.00 O ATOM 360 OE2 GLU A 23 -2.303 3.328 6.597 1.00 0.00 O ATOM 0 H GLU A 23 -3.547 -1.017 5.902 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.830 -1.316 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.375 -0.169 7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.625 -0.108 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.779 1.095 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.526 1.080 5.412 1.00 0.00 H new ATOM 367 N LYS A 24 -1.881 -3.194 7.696 1.00 0.00 N ATOM 368 CA LYS A 24 -1.560 -4.312 8.578 1.00 0.00 C ATOM 369 C LYS A 24 -0.883 -5.439 7.809 1.00 0.00 C ATOM 370 O LYS A 24 0.122 -5.977 8.269 1.00 0.00 O ATOM 371 CB LYS A 24 -2.858 -4.754 9.269 1.00 0.00 C ATOM 372 CG LYS A 24 -2.752 -6.012 10.138 1.00 0.00 C ATOM 373 CD LYS A 24 -4.096 -6.205 10.850 1.00 0.00 C ATOM 374 CE LYS A 24 -4.110 -7.467 11.718 1.00 0.00 C ATOM 375 NZ LYS A 24 -5.106 -7.358 12.801 1.00 0.00 N ATOM 0 H LYS A 24 -2.854 -2.899 7.770 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.842 -4.009 9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.214 -3.933 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.615 -4.926 8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.517 -6.881 9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.946 -5.907 10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.305 -5.335 11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.893 -6.266 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.336 -8.335 11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.120 -7.629 12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.094 -8.227 13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.875 -6.543 13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.053 -7.227 12.390 1.00 0.00 H new ATOM 389 N GLU A 25 -1.391 -5.793 6.635 1.00 0.00 N ATOM 390 CA GLU A 25 -0.765 -6.809 5.799 1.00 0.00 C ATOM 391 C GLU A 25 0.502 -6.264 5.142 1.00 0.00 C ATOM 392 O GLU A 25 1.557 -6.895 5.225 1.00 0.00 O ATOM 393 CB GLU A 25 -1.800 -7.293 4.776 1.00 0.00 C ATOM 394 CG GLU A 25 -2.703 -8.347 5.424 1.00 0.00 C ATOM 395 CD GLU A 25 -2.132 -9.765 5.334 1.00 0.00 C ATOM 396 OE1 GLU A 25 -1.043 -10.046 5.882 1.00 0.00 O ATOM 397 OE2 GLU A 25 -2.811 -10.631 4.740 1.00 0.00 O ATOM 0 H GLU A 25 -2.240 -5.389 6.239 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.448 -7.660 6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.398 -6.453 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.297 -7.715 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.857 -8.090 6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.681 -8.324 4.943 1.00 0.00 H new ATOM 404 N PHE A 26 0.423 -5.082 4.518 1.00 0.00 N ATOM 405 CA PHE A 26 1.542 -4.499 3.772 1.00 0.00 C ATOM 406 C PHE A 26 2.772 -4.251 4.659 1.00 0.00 C ATOM 407 O PHE A 26 3.883 -4.128 4.141 1.00 0.00 O ATOM 408 CB PHE A 26 1.091 -3.210 3.058 1.00 0.00 C ATOM 409 CG PHE A 26 1.371 -3.148 1.563 1.00 0.00 C ATOM 410 CD1 PHE A 26 0.954 -4.191 0.711 1.00 0.00 C ATOM 411 CD2 PHE A 26 1.987 -2.011 1.003 1.00 0.00 C ATOM 412 CE1 PHE A 26 1.144 -4.101 -0.679 1.00 0.00 C ATOM 413 CE2 PHE A 26 2.189 -1.924 -0.386 1.00 0.00 C ATOM 414 CZ PHE A 26 1.767 -2.967 -1.228 1.00 0.00 C ATOM 0 H PHE A 26 -0.418 -4.505 4.517 1.00 0.00 H new ATOM 0 HA PHE A 26 1.851 -5.224 3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.019 -3.087 3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.581 -2.362 3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.484 -5.068 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.306 -1.202 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.812 -4.901 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.670 -1.053 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.921 -2.897 -2.295 1.00 0.00 H new ATOM 424 N HIS A 27 2.575 -4.200 5.980 1.00 0.00 N ATOM 425 CA HIS A 27 3.592 -4.084 7.005 1.00 0.00 C ATOM 426 C HIS A 27 4.642 -5.181 6.831 1.00 0.00 C ATOM 427 O HIS A 27 5.798 -4.864 6.545 1.00 0.00 O ATOM 428 CB HIS A 27 2.916 -4.139 8.383 1.00 0.00 C ATOM 429 CG HIS A 27 3.835 -3.816 9.526 1.00 0.00 C ATOM 430 ND1 HIS A 27 4.084 -4.605 10.625 1.00 0.00 N ATOM 431 CD2 HIS A 27 4.480 -2.628 9.708 1.00 0.00 C ATOM 432 CE1 HIS A 27 4.877 -3.906 11.455 1.00 0.00 C ATOM 433 NE2 HIS A 27 5.123 -2.676 10.950 1.00 0.00 N ATOM 0 H HIS A 27 1.637 -4.242 6.377 1.00 0.00 H new ATOM 0 HA HIS A 27 4.113 -3.130 6.918 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.079 -3.441 8.394 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.501 -5.136 8.534 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.492 -1.798 9.017 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.264 -4.275 12.394 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.668 -1.932 11.387 1.00 0.00 H new ATOM 441 N CYS A 28 4.247 -6.453 6.961 1.00 0.00 N ATOM 442 CA CYS A 28 5.127 -7.574 6.678 1.00 0.00 C ATOM 443 C CYS A 28 5.334 -7.673 5.174 1.00 0.00 C ATOM 444 O CYS A 28 6.460 -7.566 4.681 1.00 0.00 O ATOM 445 CB CYS A 28 4.528 -8.893 7.193 1.00 0.00 C ATOM 446 SG CYS A 28 4.777 -9.039 8.979 1.00 0.00 S ATOM 0 H CYS A 28 3.312 -6.725 7.264 1.00 0.00 H new ATOM 0 HA CYS A 28 6.077 -7.407 7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.463 -8.931 6.963 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.995 -9.736 6.684 1.00 0.00 H new ATOM 0 HG CYS A 28 4.264 -10.157 9.399 1.00 0.00 H new ATOM 452 N LYS A 29 4.250 -7.931 4.443 1.00 0.00 N ATOM 453 CA LYS A 29 4.302 -8.440 3.087 1.00 0.00 C ATOM 454 C LYS A 29 3.784 -7.371 2.154 1.00 0.00 C ATOM 455 O LYS A 29 2.588 -7.243 1.916 1.00 0.00 O ATOM 456 CB LYS A 29 3.628 -9.823 2.988 1.00 0.00 C ATOM 457 CG LYS A 29 2.229 -9.991 3.629 1.00 0.00 C ATOM 458 CD LYS A 29 1.099 -10.296 2.640 1.00 0.00 C ATOM 459 CE LYS A 29 1.317 -11.569 1.811 1.00 0.00 C ATOM 460 NZ LYS A 29 1.261 -12.807 2.630 1.00 0.00 N ATOM 0 H LYS A 29 3.301 -7.788 4.788 1.00 0.00 H new ATOM 0 HA LYS A 29 5.325 -8.643 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.546 -10.081 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.295 -10.554 3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.276 -10.795 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.982 -9.078 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.164 -10.391 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.985 -9.450 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.559 -11.622 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.285 -11.512 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.985 -13.476 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.438 -12.572 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.321 -13.241 2.539 1.00 0.00 H new ATOM 474 N LYS A 30 4.727 -6.607 1.597 1.00 0.00 N ATOM 475 CA LYS A 30 4.499 -5.518 0.647 1.00 0.00 C ATOM 476 C LYS A 30 3.933 -6.005 -0.690 1.00 0.00 C ATOM 477 O LYS A 30 3.939 -5.265 -1.678 1.00 0.00 O ATOM 478 CB LYS A 30 5.810 -4.735 0.489 1.00 0.00 C ATOM 479 CG LYS A 30 5.607 -3.310 -0.053 1.00 0.00 C ATOM 480 CD LYS A 30 6.133 -3.109 -1.482 1.00 0.00 C ATOM 481 CE LYS A 30 7.484 -2.377 -1.509 1.00 0.00 C ATOM 482 NZ LYS A 30 8.604 -3.230 -1.074 1.00 0.00 N ATOM 0 H LYS A 30 5.717 -6.738 1.807 1.00 0.00 H new ATOM 0 HA LYS A 30 3.729 -4.854 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.311 -4.681 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.472 -5.281 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.544 -3.071 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.107 -2.604 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.238 -4.079 -1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.403 -2.541 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.678 -2.018 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.430 -1.500 -0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.490 -2.686 -1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.437 -3.552 -0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.677 -4.055 -1.703 1.00 0.00 H new ATOM 496 N TYR A 31 3.501 -7.257 -0.777 1.00 0.00 N ATOM 497 CA TYR A 31 2.858 -7.823 -1.932 1.00 0.00 C ATOM 498 C TYR A 31 1.874 -8.872 -1.460 1.00 0.00 C ATOM 499 O TYR A 31 2.106 -9.563 -0.469 1.00 0.00 O ATOM 500 CB TYR A 31 3.890 -8.423 -2.886 1.00 0.00 C ATOM 501 CG TYR A 31 4.949 -9.272 -2.219 1.00 0.00 C ATOM 502 CD1 TYR A 31 4.711 -10.635 -1.949 1.00 0.00 C ATOM 503 CD2 TYR A 31 6.170 -8.677 -1.845 1.00 0.00 C ATOM 504 CE1 TYR A 31 5.709 -11.406 -1.331 1.00 0.00 C ATOM 505 CE2 TYR A 31 7.172 -9.443 -1.235 1.00 0.00 C ATOM 506 CZ TYR A 31 6.941 -10.810 -0.979 1.00 0.00 C ATOM 507 OH TYR A 31 7.918 -11.562 -0.418 1.00 0.00 O ATOM 0 H TYR A 31 3.598 -7.922 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 31 2.328 -7.046 -2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.370 -9.031 -3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.380 -7.613 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.766 -11.084 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.334 -7.626 -2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.535 -12.452 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.114 -8.990 -0.963 1.00 0.00 H new ATOM 0 HH TYR A 31 8.701 -11.000 -0.238 1.00 0.00 H new ATOM 517 N LEU A 32 0.785 -9.011 -2.202 1.00 0.00 N ATOM 518 CA LEU A 32 -0.238 -10.007 -1.982 1.00 0.00 C ATOM 519 C LEU A 32 -0.089 -11.114 -3.018 1.00 0.00 C ATOM 520 O LEU A 32 0.414 -10.882 -4.122 1.00 0.00 O ATOM 521 CB LEU A 32 -1.613 -9.322 -2.077 1.00 0.00 C ATOM 522 CG LEU A 32 -2.088 -8.547 -0.826 1.00 0.00 C ATOM 523 CD1 LEU A 32 -1.338 -8.817 0.487 1.00 0.00 C ATOM 524 CD2 LEU A 32 -2.037 -7.039 -1.061 1.00 0.00 C ATOM 0 H LEU A 32 0.588 -8.408 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.141 -10.458 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.591 -8.630 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.358 -10.083 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.101 -8.927 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.770 -8.211 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.425 -9.872 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.286 -8.559 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.376 -6.519 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.013 -6.741 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.685 -6.779 -1.898 1.00 0.00 H new ATOM 536 N SER A 33 -0.573 -12.299 -2.663 1.00 0.00 N ATOM 537 CA SER A 33 -0.740 -13.453 -3.522 1.00 0.00 C ATOM 538 C SER A 33 -2.239 -13.634 -3.746 1.00 0.00 C ATOM 539 O SER A 33 -2.875 -14.360 -2.992 1.00 0.00 O ATOM 540 CB SER A 33 -0.063 -14.656 -2.856 1.00 0.00 C ATOM 541 OG SER A 33 -0.158 -15.853 -3.616 1.00 0.00 O ATOM 0 H SER A 33 -0.876 -12.485 -1.707 1.00 0.00 H new ATOM 0 HA SER A 33 -0.269 -13.335 -4.498 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.989 -14.424 -2.688 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.513 -14.820 -1.877 1.00 0.00 H new ATOM 0 HG SER A 33 0.293 -16.580 -3.139 1.00 0.00 H new ATOM 547 N LEU A 34 -2.794 -12.915 -4.731 1.00 0.00 N ATOM 548 CA LEU A 34 -4.130 -13.018 -5.336 1.00 0.00 C ATOM 549 C LEU A 34 -5.279 -13.209 -4.338 1.00 0.00 C ATOM 550 O LEU A 34 -5.977 -12.244 -4.040 1.00 0.00 O ATOM 551 CB LEU A 34 -4.166 -14.022 -6.511 1.00 0.00 C ATOM 552 CG LEU A 34 -5.031 -13.567 -7.707 1.00 0.00 C ATOM 553 CD1 LEU A 34 -6.360 -12.893 -7.330 1.00 0.00 C ATOM 554 CD2 LEU A 34 -4.245 -12.602 -8.601 1.00 0.00 C ATOM 0 H LEU A 34 -2.260 -12.166 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.321 -12.032 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.147 -14.194 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.544 -14.977 -6.146 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.280 -14.491 -8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.894 -12.610 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.969 -13.588 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.160 -12.003 -6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.870 -12.292 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.953 -11.726 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.353 -13.101 -8.979 1.00 0.00 H new ATOM 566 N THR A 35 -5.450 -14.409 -3.792 1.00 0.00 N ATOM 567 CA THR A 35 -6.326 -14.735 -2.675 1.00 0.00 C ATOM 568 C THR A 35 -6.202 -13.702 -1.547 1.00 0.00 C ATOM 569 O THR A 35 -7.208 -13.277 -0.977 1.00 0.00 O ATOM 570 CB THR A 35 -5.908 -16.126 -2.166 1.00 0.00 C ATOM 571 OG1 THR A 35 -5.811 -17.057 -3.236 1.00 0.00 O ATOM 572 CG2 THR A 35 -6.822 -16.670 -1.070 1.00 0.00 C ATOM 0 H THR A 35 -4.950 -15.228 -4.139 1.00 0.00 H new ATOM 0 HA THR A 35 -7.366 -14.728 -3.001 1.00 0.00 H new ATOM 0 HB THR A 35 -4.924 -15.994 -1.717 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.542 -17.932 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.470 -17.653 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.810 -15.992 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.839 -16.754 -1.453 1.00 0.00 H new ATOM 580 N GLU A 36 -4.978 -13.253 -1.263 1.00 0.00 N ATOM 581 CA GLU A 36 -4.676 -12.323 -0.197 1.00 0.00 C ATOM 582 C GLU A 36 -5.370 -11.000 -0.487 1.00 0.00 C ATOM 583 O GLU A 36 -5.863 -10.335 0.423 1.00 0.00 O ATOM 584 CB GLU A 36 -3.163 -12.095 -0.142 1.00 0.00 C ATOM 585 CG GLU A 36 -2.313 -13.328 0.161 1.00 0.00 C ATOM 586 CD GLU A 36 -2.347 -13.724 1.629 1.00 0.00 C ATOM 587 OE1 GLU A 36 -3.457 -13.990 2.145 1.00 0.00 O ATOM 588 OE2 GLU A 36 -1.237 -13.834 2.194 1.00 0.00 O ATOM 0 H GLU A 36 -4.153 -13.540 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.022 -12.724 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.842 -11.683 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.956 -11.340 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.665 -14.164 -0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.282 -13.134 -0.134 1.00 0.00 H new ATOM 595 N ARG A 37 -5.432 -10.605 -1.763 1.00 0.00 N ATOM 596 CA ARG A 37 -6.029 -9.344 -2.154 1.00 0.00 C ATOM 597 C ARG A 37 -7.504 -9.333 -1.751 1.00 0.00 C ATOM 598 O ARG A 37 -8.009 -8.302 -1.303 1.00 0.00 O ATOM 599 CB ARG A 37 -5.833 -9.104 -3.661 1.00 0.00 C ATOM 600 CG ARG A 37 -6.366 -7.740 -4.127 1.00 0.00 C ATOM 601 CD ARG A 37 -6.712 -7.643 -5.625 1.00 0.00 C ATOM 602 NE ARG A 37 -7.511 -8.760 -6.179 1.00 0.00 N ATOM 603 CZ ARG A 37 -8.574 -9.407 -5.674 1.00 0.00 C ATOM 604 NH1 ARG A 37 -9.194 -8.976 -4.582 1.00 0.00 N ATOM 605 NH2 ARG A 37 -9.014 -10.514 -6.256 1.00 0.00 N ATOM 0 H ARG A 37 -5.069 -11.154 -2.542 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.535 -8.522 -1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.772 -9.174 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.337 -9.894 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.259 -7.501 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.622 -6.979 -3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.257 -6.714 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.782 -7.573 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.204 -9.092 -7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.865 -8.136 -4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.999 -9.485 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.545 -10.874 -7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.821 -11.006 -5.873 1.00 0.00 H new ATOM 619 N SER A 38 -8.203 -10.453 -1.921 1.00 0.00 N ATOM 620 CA SER A 38 -9.606 -10.555 -1.572 1.00 0.00 C ATOM 621 C SER A 38 -9.849 -10.626 -0.060 1.00 0.00 C ATOM 622 O SER A 38 -11.018 -10.562 0.313 1.00 0.00 O ATOM 623 CB SER A 38 -10.228 -11.735 -2.326 1.00 0.00 C ATOM 624 OG SER A 38 -10.428 -11.387 -3.685 1.00 0.00 O ATOM 0 H SER A 38 -7.807 -11.311 -2.305 1.00 0.00 H new ATOM 0 HA SER A 38 -10.103 -9.636 -1.884 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.577 -12.606 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.178 -12.010 -1.868 1.00 0.00 H new ATOM 0 HG SER A 38 -10.824 -12.146 -4.162 1.00 0.00 H new ATOM 630 N GLN A 39 -8.824 -10.714 0.807 1.00 0.00 N ATOM 631 CA GLN A 39 -9.033 -10.654 2.253 1.00 0.00 C ATOM 632 C GLN A 39 -9.620 -9.289 2.604 1.00 0.00 C ATOM 633 O GLN A 39 -10.814 -9.196 2.862 1.00 0.00 O ATOM 634 CB GLN A 39 -7.754 -10.932 3.063 1.00 0.00 C ATOM 635 CG GLN A 39 -7.256 -12.387 3.022 1.00 0.00 C ATOM 636 CD GLN A 39 -6.423 -12.727 4.265 1.00 0.00 C ATOM 637 OE1 GLN A 39 -6.779 -12.369 5.385 1.00 0.00 O ATOM 638 NE2 GLN A 39 -5.273 -13.357 4.134 1.00 0.00 N ATOM 0 H GLN A 39 -7.850 -10.826 0.527 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.728 -11.447 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.961 -10.283 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.934 -10.655 4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.108 -13.063 2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.656 -12.543 2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.961 -13.662 3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.695 -13.540 4.954 1.00 0.00 H new ATOM 647 N ILE A 40 -8.815 -8.220 2.554 1.00 0.00 N ATOM 648 CA ILE A 40 -9.288 -6.884 2.911 1.00 0.00 C ATOM 649 C ILE A 40 -10.554 -6.516 2.120 1.00 0.00 C ATOM 650 O ILE A 40 -11.491 -5.946 2.688 1.00 0.00 O ATOM 651 CB ILE A 40 -8.154 -5.844 2.736 1.00 0.00 C ATOM 652 CG1 ILE A 40 -7.093 -5.910 3.863 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.746 -4.431 2.700 1.00 0.00 C ATOM 654 CD1 ILE A 40 -5.795 -6.604 3.445 1.00 0.00 C ATOM 0 H ILE A 40 -7.836 -8.258 2.270 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.569 -6.880 3.964 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.655 -6.083 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.863 -4.897 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.517 -6.436 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.944 -3.703 2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.442 -4.349 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.274 -4.234 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.100 -6.612 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.011 -7.629 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.348 -6.066 2.609 1.00 0.00 H new ATOM 666 N ALA A 41 -10.576 -6.816 0.815 1.00 0.00 N ATOM 667 CA ALA A 41 -11.675 -6.432 -0.055 1.00 0.00 C ATOM 668 C ALA A 41 -13.021 -6.967 0.452 1.00 0.00 C ATOM 669 O ALA A 41 -13.995 -6.214 0.411 1.00 0.00 O ATOM 670 CB ALA A 41 -11.389 -6.873 -1.492 1.00 0.00 C ATOM 0 H ALA A 41 -9.832 -7.330 0.342 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.755 -5.345 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.219 -6.580 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.473 -6.398 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.271 -7.956 -1.523 1.00 0.00 H new ATOM 676 N HIS A 42 -13.064 -8.201 0.972 1.00 0.00 N ATOM 677 CA HIS A 42 -14.282 -8.865 1.440 1.00 0.00 C ATOM 678 C HIS A 42 -14.439 -8.762 2.967 1.00 0.00 C ATOM 679 O HIS A 42 -15.482 -9.133 3.511 1.00 0.00 O ATOM 680 CB HIS A 42 -14.229 -10.332 0.984 1.00 0.00 C ATOM 681 CG HIS A 42 -15.483 -11.167 1.147 1.00 0.00 C ATOM 682 ND1 HIS A 42 -15.533 -12.527 0.952 1.00 0.00 N ATOM 683 CD2 HIS A 42 -16.753 -10.757 1.462 1.00 0.00 C ATOM 684 CE1 HIS A 42 -16.793 -12.935 1.152 1.00 0.00 C ATOM 685 NE2 HIS A 42 -17.581 -11.891 1.470 1.00 0.00 N ATOM 0 H HIS A 42 -12.230 -8.778 1.080 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.153 -8.370 1.011 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.952 -10.346 -0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.425 -10.824 1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -17.061 -9.743 1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.129 -13.958 1.070 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -18.580 -11.918 1.676 1.00 0.00 H new ATOM 693 N ALA A 43 -13.428 -8.265 3.680 1.00 0.00 N ATOM 694 CA ALA A 43 -13.451 -8.124 5.115 1.00 0.00 C ATOM 695 C ALA A 43 -14.127 -6.804 5.432 1.00 0.00 C ATOM 696 O ALA A 43 -15.022 -6.759 6.282 1.00 0.00 O ATOM 697 CB ALA A 43 -12.024 -8.137 5.658 1.00 0.00 C ATOM 0 H ALA A 43 -12.557 -7.946 3.256 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.995 -8.947 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.046 -8.030 6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.544 -9.080 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.462 -7.310 5.224 1.00 0.00 H new ATOM 703 N LEU A 44 -13.680 -5.730 4.768 1.00 0.00 N ATOM 704 CA LEU A 44 -14.073 -4.392 5.154 1.00 0.00 C ATOM 705 C LEU A 44 -15.296 -3.930 4.376 1.00 0.00 C ATOM 706 O LEU A 44 -16.408 -4.085 4.874 1.00 0.00 O ATOM 707 CB LEU A 44 -12.890 -3.417 5.035 1.00 0.00 C ATOM 708 CG LEU A 44 -11.976 -3.394 6.270 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.689 -2.661 5.886 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.631 -2.682 7.460 1.00 0.00 C ATOM 0 H LEU A 44 -13.050 -5.773 3.967 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.364 -4.408 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.297 -3.686 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.276 -2.412 4.862 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.776 -4.420 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.019 -2.629 6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.202 -3.187 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.928 -1.644 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.948 -2.690 8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.858 -1.651 7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.553 -3.197 7.730 1.00 0.00 H new ATOM 722 N LYS A 45 -15.092 -3.364 3.181 1.00 0.00 N ATOM 723 CA LYS A 45 -16.082 -2.623 2.376 1.00 0.00 C ATOM 724 C LYS A 45 -15.467 -1.991 1.115 1.00 0.00 C ATOM 725 O LYS A 45 -16.031 -1.043 0.567 1.00 0.00 O ATOM 726 CB LYS A 45 -16.889 -1.600 3.206 1.00 0.00 C ATOM 727 CG LYS A 45 -15.955 -0.570 3.802 1.00 0.00 C ATOM 728 CD LYS A 45 -16.182 -0.335 5.305 1.00 0.00 C ATOM 729 CE LYS A 45 -15.857 1.122 5.569 1.00 0.00 C ATOM 730 NZ LYS A 45 -16.156 1.545 6.947 1.00 0.00 N ATOM 0 H LYS A 45 -14.183 -3.411 2.720 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.798 -3.369 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.630 -1.110 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.434 -2.111 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.925 -0.890 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.081 0.374 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.213 -0.558 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.544 -0.988 5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.800 1.294 5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.421 1.745 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.912 2.549 7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.169 1.411 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.598 0.974 7.614 1.00 0.00 H new ATOM 744 N LEU A 46 -14.253 -2.389 0.714 1.00 0.00 N ATOM 745 CA LEU A 46 -13.526 -1.741 -0.390 1.00 0.00 C ATOM 746 C LEU A 46 -14.129 -2.207 -1.731 1.00 0.00 C ATOM 747 O LEU A 46 -15.139 -2.914 -1.755 1.00 0.00 O ATOM 748 CB LEU A 46 -12.002 -2.013 -0.310 1.00 0.00 C ATOM 749 CG LEU A 46 -11.207 -1.291 0.803 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.537 -1.869 2.175 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.708 -1.498 0.591 1.00 0.00 C ATOM 0 H LEU A 46 -13.748 -3.165 1.142 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.642 -0.660 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.858 -3.086 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.561 -1.742 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.476 -0.236 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.964 -1.343 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.602 -1.749 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.281 -2.928 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.155 -0.986 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.480 -2.563 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.418 -1.092 -0.378 1.00 0.00 H new ATOM 763 N SER A 47 -13.528 -1.819 -2.858 1.00 0.00 N ATOM 764 CA SER A 47 -13.898 -2.264 -4.195 1.00 0.00 C ATOM 765 C SER A 47 -12.648 -2.866 -4.837 1.00 0.00 C ATOM 766 O SER A 47 -11.617 -2.198 -4.931 1.00 0.00 O ATOM 767 CB SER A 47 -14.480 -1.078 -4.975 1.00 0.00 C ATOM 768 OG SER A 47 -15.094 -1.493 -6.180 1.00 0.00 O ATOM 0 H SER A 47 -12.745 -1.165 -2.860 1.00 0.00 H new ATOM 0 HA SER A 47 -14.673 -3.030 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.210 -0.558 -4.355 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.686 -0.365 -5.198 1.00 0.00 H new ATOM 0 HG SER A 47 -15.455 -0.712 -6.649 1.00 0.00 H new ATOM 774 N GLU A 48 -12.723 -4.134 -5.246 1.00 0.00 N ATOM 775 CA GLU A 48 -11.617 -4.944 -5.760 1.00 0.00 C ATOM 776 C GLU A 48 -10.828 -4.275 -6.892 1.00 0.00 C ATOM 777 O GLU A 48 -9.619 -4.500 -6.993 1.00 0.00 O ATOM 778 CB GLU A 48 -12.159 -6.286 -6.264 1.00 0.00 C ATOM 779 CG GLU A 48 -12.647 -7.203 -5.143 1.00 0.00 C ATOM 780 CD GLU A 48 -13.457 -8.348 -5.742 1.00 0.00 C ATOM 781 OE1 GLU A 48 -12.874 -9.315 -6.284 1.00 0.00 O ATOM 782 OE2 GLU A 48 -14.702 -8.263 -5.724 1.00 0.00 O ATOM 0 H GLU A 48 -13.603 -4.650 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.926 -5.076 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.981 -6.101 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.378 -6.797 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.798 -7.597 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.259 -6.640 -4.438 1.00 0.00 H new ATOM 789 N VAL A 49 -11.482 -3.468 -7.737 1.00 0.00 N ATOM 790 CA VAL A 49 -10.798 -2.719 -8.790 1.00 0.00 C ATOM 791 C VAL A 49 -9.842 -1.698 -8.181 1.00 0.00 C ATOM 792 O VAL A 49 -8.676 -1.662 -8.550 1.00 0.00 O ATOM 793 CB VAL A 49 -11.774 -2.098 -9.809 1.00 0.00 C ATOM 794 CG1 VAL A 49 -12.923 -1.327 -9.172 1.00 0.00 C ATOM 795 CG2 VAL A 49 -11.064 -1.156 -10.792 1.00 0.00 C ATOM 0 H VAL A 49 -12.491 -3.319 -7.708 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.200 -3.424 -9.368 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.184 -2.959 -10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.566 -0.921 -9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.503 -1.997 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.524 -0.511 -8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.792 -0.743 -11.490 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.589 -0.345 -10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.306 -1.711 -11.345 1.00 0.00 H new ATOM 805 N GLN A 50 -10.317 -0.887 -7.236 1.00 0.00 N ATOM 806 CA GLN A 50 -9.497 0.104 -6.555 1.00 0.00 C ATOM 807 C GLN A 50 -8.314 -0.611 -5.897 1.00 0.00 C ATOM 808 O GLN A 50 -7.169 -0.164 -5.953 1.00 0.00 O ATOM 809 CB GLN A 50 -10.357 0.822 -5.491 1.00 0.00 C ATOM 810 CG GLN A 50 -10.304 2.351 -5.561 1.00 0.00 C ATOM 811 CD GLN A 50 -8.924 2.987 -5.592 1.00 0.00 C ATOM 812 OE1 GLN A 50 -8.771 4.053 -6.178 1.00 0.00 O ATOM 813 NE2 GLN A 50 -7.922 2.445 -4.918 1.00 0.00 N ATOM 0 H GLN A 50 -11.288 -0.902 -6.923 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.120 0.845 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.393 0.501 -5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.029 0.504 -4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.845 2.669 -6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.843 2.750 -4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.055 1.558 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.017 2.914 -4.884 1.00 0.00 H new ATOM 822 N VAL A 51 -8.621 -1.720 -5.235 1.00 0.00 N ATOM 823 CA VAL A 51 -7.689 -2.507 -4.452 1.00 0.00 C ATOM 824 C VAL A 51 -6.539 -2.984 -5.348 1.00 0.00 C ATOM 825 O VAL A 51 -5.374 -2.746 -5.029 1.00 0.00 O ATOM 826 CB VAL A 51 -8.488 -3.630 -3.760 1.00 0.00 C ATOM 827 CG1 VAL A 51 -7.626 -4.685 -3.087 1.00 0.00 C ATOM 828 CG2 VAL A 51 -9.412 -3.067 -2.668 1.00 0.00 C ATOM 0 H VAL A 51 -9.565 -2.107 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.209 -1.928 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.047 -4.092 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.266 -5.437 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.986 -5.160 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.007 -4.216 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.961 -3.884 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.814 -2.553 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.116 -2.365 -3.114 1.00 0.00 H new ATOM 838 N LYS A 52 -6.835 -3.584 -6.511 1.00 0.00 N ATOM 839 CA LYS A 52 -5.817 -4.093 -7.417 1.00 0.00 C ATOM 840 C LYS A 52 -4.884 -3.021 -7.990 1.00 0.00 C ATOM 841 O LYS A 52 -3.935 -3.397 -8.673 1.00 0.00 O ATOM 842 CB LYS A 52 -6.479 -4.937 -8.516 1.00 0.00 C ATOM 843 CG LYS A 52 -7.247 -4.122 -9.554 1.00 0.00 C ATOM 844 CD LYS A 52 -7.045 -4.494 -11.023 1.00 0.00 C ATOM 845 CE LYS A 52 -7.916 -3.510 -11.817 1.00 0.00 C ATOM 846 NZ LYS A 52 -7.843 -3.706 -13.276 1.00 0.00 N ATOM 0 H LYS A 52 -7.789 -3.726 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.156 -4.726 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.710 -5.519 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.162 -5.648 -8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.310 -4.203 -9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.974 -3.074 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.997 -4.410 -11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.345 -5.525 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.952 -3.614 -11.496 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.609 -2.492 -11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.453 -3.010 -13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.861 -3.580 -13.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.163 -4.667 -13.514 1.00 0.00 H new ATOM 860 N ILE A 53 -5.144 -1.728 -7.770 1.00 0.00 N ATOM 861 CA ILE A 53 -4.293 -0.633 -8.241 1.00 0.00 C ATOM 862 C ILE A 53 -3.574 0.055 -7.075 1.00 0.00 C ATOM 863 O ILE A 53 -2.450 0.542 -7.253 1.00 0.00 O ATOM 864 CB ILE A 53 -5.085 0.402 -9.050 1.00 0.00 C ATOM 865 CG1 ILE A 53 -5.950 -0.191 -10.186 1.00 0.00 C ATOM 866 CG2 ILE A 53 -4.090 1.388 -9.686 1.00 0.00 C ATOM 867 CD1 ILE A 53 -7.257 0.587 -10.312 1.00 0.00 C ATOM 0 H ILE A 53 -5.963 -1.409 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.547 -1.079 -8.899 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.769 0.875 -8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.403 -0.153 -11.128 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.161 -1.241 -9.983 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.636 2.132 -10.266 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.520 1.886 -8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.409 0.845 -10.341 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.858 0.161 -11.115 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.809 0.526 -9.374 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.039 1.631 -10.537 1.00 0.00 H new ATOM 879 N TRP A 54 -4.190 0.098 -5.885 1.00 0.00 N ATOM 880 CA TRP A 54 -3.597 0.698 -4.694 1.00 0.00 C ATOM 881 C TRP A 54 -2.203 0.118 -4.475 1.00 0.00 C ATOM 882 O TRP A 54 -1.264 0.882 -4.242 1.00 0.00 O ATOM 883 CB TRP A 54 -4.522 0.491 -3.483 1.00 0.00 C ATOM 884 CG TRP A 54 -3.962 0.795 -2.114 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.159 1.924 -1.388 1.00 0.00 C ATOM 886 CD2 TRP A 54 -3.202 -0.099 -1.242 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.553 1.796 -0.148 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.926 0.578 -0.019 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.750 -1.432 -1.343 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.204 -0.019 1.026 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -2.038 -2.047 -0.297 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.765 -1.343 0.887 1.00 0.00 C ATOM 0 H TRP A 54 -5.121 -0.287 -5.727 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.488 1.774 -4.828 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.408 1.109 -3.628 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.853 -0.547 -3.487 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.706 2.792 -1.726 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.570 2.514 0.577 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.955 -1.992 -2.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.989 0.536 1.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.699 -3.067 -0.405 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.219 -1.820 1.687 1.00 0.00 H new ATOM 903 N PHE A 55 -2.041 -1.203 -4.615 1.00 0.00 N ATOM 904 CA PHE A 55 -0.716 -1.811 -4.503 1.00 0.00 C ATOM 905 C PHE A 55 0.099 -1.661 -5.787 1.00 0.00 C ATOM 906 O PHE A 55 1.310 -1.448 -5.694 1.00 0.00 O ATOM 907 CB PHE A 55 -0.789 -3.278 -4.063 1.00 0.00 C ATOM 908 CG PHE A 55 -1.370 -4.267 -5.055 1.00 0.00 C ATOM 909 CD1 PHE A 55 -0.577 -4.764 -6.108 1.00 0.00 C ATOM 910 CD2 PHE A 55 -2.666 -4.773 -4.874 1.00 0.00 C ATOM 911 CE1 PHE A 55 -1.074 -5.750 -6.971 1.00 0.00 C ATOM 912 CE2 PHE A 55 -3.160 -5.767 -5.731 1.00 0.00 C ATOM 913 CZ PHE A 55 -2.372 -6.245 -6.787 1.00 0.00 C ATOM 0 H PHE A 55 -2.799 -1.860 -4.803 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.194 -1.261 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.219 -3.606 -3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.380 -3.328 -3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.423 -4.382 -6.251 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.285 -4.396 -4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.459 -6.127 -7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.152 -6.166 -5.577 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.765 -6.994 -7.458 1.00 0.00 H new ATOM 923 N GLN A 56 -0.537 -1.752 -6.968 1.00 0.00 N ATOM 924 CA GLN A 56 0.106 -1.802 -8.274 1.00 0.00 C ATOM 925 C GLN A 56 1.120 -0.683 -8.463 1.00 0.00 C ATOM 926 O GLN A 56 2.214 -0.891 -8.994 1.00 0.00 O ATOM 927 CB GLN A 56 -0.996 -1.750 -9.319 1.00 0.00 C ATOM 928 CG GLN A 56 -0.610 -2.328 -10.680 1.00 0.00 C ATOM 929 CD GLN A 56 -1.784 -2.189 -11.645 1.00 0.00 C ATOM 930 OE1 GLN A 56 -1.637 -1.644 -12.738 1.00 0.00 O ATOM 931 NE2 GLN A 56 -2.968 -2.630 -11.255 1.00 0.00 N ATOM 0 H GLN A 56 -1.554 -1.794 -7.031 1.00 0.00 H new ATOM 0 HA GLN A 56 0.680 -2.724 -8.371 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.863 -2.292 -8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.303 -0.713 -9.453 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.262 -1.806 -11.074 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.334 -3.377 -10.576 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.070 -3.079 -10.345 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.779 -2.521 -11.864 1.00 0.00 H new ATOM 940 N ASN A 57 0.782 0.502 -7.953 1.00 0.00 N ATOM 941 CA ASN A 57 1.630 1.675 -8.058 1.00 0.00 C ATOM 942 C ASN A 57 3.018 1.425 -7.483 1.00 0.00 C ATOM 943 O ASN A 57 3.999 1.863 -8.086 1.00 0.00 O ATOM 944 CB ASN A 57 0.973 2.894 -7.390 1.00 0.00 C ATOM 945 CG ASN A 57 0.032 3.610 -8.342 1.00 0.00 C ATOM 946 OD1 ASN A 57 0.465 4.499 -9.082 1.00 0.00 O ATOM 947 ND2 ASN A 57 -1.243 3.258 -8.361 1.00 0.00 N ATOM 0 H ASN A 57 -0.092 0.669 -7.455 1.00 0.00 H new ATOM 0 HA ASN A 57 1.750 1.891 -9.120 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.423 2.573 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.745 3.585 -7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.891 3.724 -8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.578 2.521 -7.741 1.00 0.00 H new ATOM 954 N ARG A 58 3.151 0.690 -6.369 1.00 0.00 N ATOM 955 CA ARG A 58 4.470 0.432 -5.790 1.00 0.00 C ATOM 956 C ARG A 58 5.322 -0.495 -6.655 1.00 0.00 C ATOM 957 O ARG A 58 6.530 -0.561 -6.421 1.00 0.00 O ATOM 958 CB ARG A 58 4.357 -0.122 -4.360 1.00 0.00 C ATOM 959 CG ARG A 58 5.631 0.177 -3.539 1.00 0.00 C ATOM 960 CD ARG A 58 5.296 0.451 -2.070 1.00 0.00 C ATOM 961 NE ARG A 58 6.484 0.804 -1.272 1.00 0.00 N ATOM 962 CZ ARG A 58 6.463 1.493 -0.123 1.00 0.00 C ATOM 963 NH1 ARG A 58 5.308 1.827 0.450 1.00 0.00 N ATOM 964 NH2 ARG A 58 7.614 1.872 0.415 1.00 0.00 N ATOM 0 H ARG A 58 2.372 0.271 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 58 4.978 1.396 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.491 0.318 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.190 -1.199 -4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.316 -0.668 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.146 1.039 -3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.570 1.262 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.823 -0.431 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 58 7.393 0.500 -1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.426 1.558 0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.306 2.352 1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.494 1.638 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.620 2.397 1.289 1.00 0.00 H new