USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 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 146:sc= 0.628 USER MOD Set 1.2: A 50 GLN :FLIP amide:sc= 0.565 F(o=0.13,f=1.2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.457 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.3) 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=-0.077) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0242 USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.71 (180deg=0.951) 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= 0.0287 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=0) 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= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 179 N THR A 12 -7.595 7.220 -5.091 1.00 0.00 N ATOM 180 CA THR A 12 -8.698 6.459 -4.509 1.00 0.00 C ATOM 181 C THR A 12 -9.465 7.268 -3.465 1.00 0.00 C ATOM 182 O THR A 12 -8.974 8.270 -2.945 1.00 0.00 O ATOM 183 CB THR A 12 -8.148 5.132 -3.967 1.00 0.00 C ATOM 184 OG1 THR A 12 -9.181 4.224 -3.683 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.332 5.249 -2.683 1.00 0.00 C ATOM 0 HA THR A 12 -9.436 6.234 -5.279 1.00 0.00 H new ATOM 0 HB THR A 12 -7.497 4.789 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.874 3.312 -3.866 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.987 4.260 -2.380 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.472 5.896 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.953 5.675 -1.895 1.00 0.00 H new ATOM 193 N ALA A 13 -10.644 6.762 -3.111 1.00 0.00 N ATOM 194 CA ALA A 13 -11.555 7.303 -2.118 1.00 0.00 C ATOM 195 C ALA A 13 -11.673 6.362 -0.912 1.00 0.00 C ATOM 196 O ALA A 13 -12.691 6.357 -0.219 1.00 0.00 O ATOM 197 CB ALA A 13 -12.905 7.550 -2.794 1.00 0.00 C ATOM 0 H ALA A 13 -11.007 5.910 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.175 8.247 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.607 7.957 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.778 8.259 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.293 6.610 -3.186 1.00 0.00 H new ATOM 203 N PHE A 14 -10.674 5.509 -0.674 1.00 0.00 N ATOM 204 CA PHE A 14 -10.616 4.760 0.573 1.00 0.00 C ATOM 205 C PHE A 14 -10.248 5.720 1.712 1.00 0.00 C ATOM 206 O PHE A 14 -9.437 6.631 1.538 1.00 0.00 O ATOM 207 CB PHE A 14 -9.594 3.624 0.478 1.00 0.00 C ATOM 208 CG PHE A 14 -9.814 2.562 -0.589 1.00 0.00 C ATOM 209 CD1 PHE A 14 -11.102 2.097 -0.924 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.689 1.958 -1.177 1.00 0.00 C ATOM 211 CE1 PHE A 14 -11.260 1.038 -1.833 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.839 0.897 -2.088 1.00 0.00 C ATOM 213 CZ PHE A 14 -10.128 0.425 -2.395 1.00 0.00 C ATOM 0 H PHE A 14 -9.907 5.325 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.590 4.313 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.613 4.069 0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.557 3.124 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.972 2.558 -0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.700 2.312 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.249 0.696 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.971 0.448 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.248 -0.413 -3.066 1.00 0.00 H new ATOM 223 N THR A 15 -10.815 5.474 2.884 1.00 0.00 N ATOM 224 CA THR A 15 -10.683 6.254 4.108 1.00 0.00 C ATOM 225 C THR A 15 -9.567 5.665 4.967 1.00 0.00 C ATOM 226 O THR A 15 -9.242 4.484 4.841 1.00 0.00 O ATOM 227 CB THR A 15 -12.069 6.347 4.812 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.036 6.312 6.224 1.00 0.00 O ATOM 229 CG2 THR A 15 -13.122 5.352 4.303 1.00 0.00 C ATOM 0 H THR A 15 -11.423 4.666 3.015 1.00 0.00 H new ATOM 0 HA THR A 15 -10.385 7.282 3.899 1.00 0.00 H new ATOM 0 HB THR A 15 -12.380 7.349 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.949 6.378 6.574 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.052 5.494 4.853 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.299 5.521 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.763 4.334 4.453 1.00 0.00 H new ATOM 237 N SER A 16 -9.036 6.460 5.894 1.00 0.00 N ATOM 238 CA SER A 16 -8.125 6.018 6.934 1.00 0.00 C ATOM 239 C SER A 16 -8.738 4.872 7.751 1.00 0.00 C ATOM 240 O SER A 16 -7.985 4.007 8.204 1.00 0.00 O ATOM 241 CB SER A 16 -7.742 7.239 7.781 1.00 0.00 C ATOM 242 OG SER A 16 -6.831 6.923 8.821 1.00 0.00 O ATOM 0 H SER A 16 -9.238 7.459 5.939 1.00 0.00 H new ATOM 0 HA SER A 16 -7.214 5.603 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.301 7.999 7.136 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.644 7.673 8.213 1.00 0.00 H new ATOM 0 HG SER A 16 -6.619 7.734 9.328 1.00 0.00 H new ATOM 248 N GLU A 17 -10.073 4.780 7.876 1.00 0.00 N ATOM 249 CA GLU A 17 -10.686 3.663 8.588 1.00 0.00 C ATOM 250 C GLU A 17 -10.563 2.357 7.798 1.00 0.00 C ATOM 251 O GLU A 17 -10.596 1.275 8.379 1.00 0.00 O ATOM 252 CB GLU A 17 -12.159 3.984 8.854 1.00 0.00 C ATOM 253 CG GLU A 17 -12.316 4.841 10.113 1.00 0.00 C ATOM 254 CD GLU A 17 -13.783 5.141 10.422 1.00 0.00 C ATOM 255 OE1 GLU A 17 -14.470 5.766 9.581 1.00 0.00 O ATOM 256 OE2 GLU A 17 -14.306 4.670 11.455 1.00 0.00 O ATOM 0 H GLU A 17 -10.734 5.458 7.497 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.160 3.524 9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.581 4.510 7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.722 3.058 8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.865 4.326 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.774 5.778 9.984 1.00 0.00 H new ATOM 263 N GLN A 18 -10.407 2.444 6.478 1.00 0.00 N ATOM 264 CA GLN A 18 -10.294 1.305 5.579 1.00 0.00 C ATOM 265 C GLN A 18 -8.835 0.978 5.238 1.00 0.00 C ATOM 266 O GLN A 18 -8.557 -0.091 4.706 1.00 0.00 O ATOM 267 CB GLN A 18 -11.143 1.615 4.332 1.00 0.00 C ATOM 268 CG GLN A 18 -12.599 1.210 4.609 1.00 0.00 C ATOM 269 CD GLN A 18 -13.591 1.761 3.592 1.00 0.00 C ATOM 270 OE1 GLN A 18 -14.495 2.496 3.971 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.492 1.398 2.321 1.00 0.00 N ATOM 0 H GLN A 18 -10.355 3.340 5.993 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.671 0.404 6.063 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.086 2.677 4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.758 1.072 3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.669 0.122 4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.881 1.557 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.733 0.785 2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.175 1.731 1.641 1.00 0.00 H new ATOM 280 N LEU A 19 -7.899 1.872 5.551 1.00 0.00 N ATOM 281 CA LEU A 19 -6.471 1.665 5.331 1.00 0.00 C ATOM 282 C LEU A 19 -5.802 0.975 6.524 1.00 0.00 C ATOM 283 O LEU A 19 -4.634 0.610 6.397 1.00 0.00 O ATOM 284 CB LEU A 19 -5.813 3.015 4.997 1.00 0.00 C ATOM 285 CG LEU A 19 -5.745 3.347 3.491 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.983 3.010 2.654 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.515 4.848 3.306 1.00 0.00 C ATOM 0 H LEU A 19 -8.116 2.775 5.972 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.336 0.990 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.363 3.807 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.801 3.020 5.402 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.932 2.715 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.808 3.291 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.181 1.940 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.843 3.559 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.467 5.080 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.336 5.401 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.577 5.134 3.782 1.00 0.00 H new ATOM 299 N LEU A 20 -6.510 0.767 7.643 1.00 0.00 N ATOM 300 CA LEU A 20 -5.966 0.175 8.861 1.00 0.00 C ATOM 301 C LEU A 20 -5.455 -1.233 8.567 1.00 0.00 C ATOM 302 O LEU A 20 -4.264 -1.522 8.698 1.00 0.00 O ATOM 303 CB LEU A 20 -7.053 0.177 9.964 1.00 0.00 C ATOM 304 CG LEU A 20 -6.494 0.657 11.313 1.00 0.00 C ATOM 305 CD1 LEU A 20 -7.632 1.110 12.230 1.00 0.00 C ATOM 306 CD2 LEU A 20 -5.687 -0.441 12.015 1.00 0.00 C ATOM 0 H LEU A 20 -7.497 1.013 7.722 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.122 0.763 9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.877 0.823 9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.460 -0.828 10.076 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.829 1.496 11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.220 1.447 13.181 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.175 1.929 11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.313 0.277 12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.309 -0.063 12.965 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.328 -1.304 12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.850 -0.738 11.383 1.00 0.00 H new ATOM 318 N GLU A 21 -6.378 -2.090 8.129 1.00 0.00 N ATOM 319 CA GLU A 21 -6.147 -3.498 7.847 1.00 0.00 C ATOM 320 C GLU A 21 -5.182 -3.673 6.670 1.00 0.00 C ATOM 321 O GLU A 21 -4.439 -4.651 6.630 1.00 0.00 O ATOM 322 CB GLU A 21 -7.484 -4.154 7.496 1.00 0.00 C ATOM 323 CG GLU A 21 -8.495 -4.190 8.660 1.00 0.00 C ATOM 324 CD GLU A 21 -8.554 -5.589 9.285 1.00 0.00 C ATOM 325 OE1 GLU A 21 -7.769 -5.873 10.211 1.00 0.00 O ATOM 326 OE2 GLU A 21 -9.354 -6.433 8.800 1.00 0.00 O ATOM 0 H GLU A 21 -7.342 -1.807 7.956 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.706 -3.964 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.930 -3.618 6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.298 -5.174 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.211 -3.460 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.483 -3.906 8.299 1.00 0.00 H new ATOM 333 N LEU A 22 -5.187 -2.730 5.722 1.00 0.00 N ATOM 334 CA LEU A 22 -4.300 -2.721 4.565 1.00 0.00 C ATOM 335 C LEU A 22 -2.865 -2.555 5.025 1.00 0.00 C ATOM 336 O LEU A 22 -1.981 -3.280 4.579 1.00 0.00 O ATOM 337 CB LEU A 22 -4.659 -1.556 3.624 1.00 0.00 C ATOM 338 CG LEU A 22 -5.704 -1.952 2.581 1.00 0.00 C ATOM 339 CD1 LEU A 22 -6.348 -0.709 1.962 1.00 0.00 C ATOM 340 CD2 LEU A 22 -5.106 -2.821 1.464 1.00 0.00 C ATOM 0 H LEU A 22 -5.825 -1.935 5.743 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.415 -3.665 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.036 -0.720 4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.758 -1.210 3.118 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.461 -2.539 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.089 -1.013 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.834 -0.124 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.581 -0.104 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.885 -3.078 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.314 -2.269 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.694 -3.734 1.894 1.00 0.00 H new ATOM 352 N GLU A 23 -2.620 -1.574 5.893 1.00 0.00 N ATOM 353 CA GLU A 23 -1.288 -1.366 6.442 1.00 0.00 C ATOM 354 C GLU A 23 -0.882 -2.544 7.330 1.00 0.00 C ATOM 355 O GLU A 23 0.288 -2.930 7.321 1.00 0.00 O ATOM 356 CB GLU A 23 -1.177 -0.035 7.199 1.00 0.00 C ATOM 357 CG GLU A 23 -1.088 1.172 6.237 1.00 0.00 C ATOM 358 CD GLU A 23 -0.393 2.420 6.804 1.00 0.00 C ATOM 359 OE1 GLU A 23 0.391 2.313 7.769 1.00 0.00 O ATOM 360 OE2 GLU A 23 -0.483 3.500 6.167 1.00 0.00 O ATOM 0 H GLU A 23 -3.324 -0.916 6.227 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.593 -1.311 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.042 0.084 7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.295 -0.054 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.558 0.859 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.098 1.447 5.932 1.00 0.00 H new ATOM 367 N LYS A 24 -1.833 -3.137 8.049 1.00 0.00 N ATOM 368 CA LYS A 24 -1.615 -4.280 8.924 1.00 0.00 C ATOM 369 C LYS A 24 -1.170 -5.497 8.103 1.00 0.00 C ATOM 370 O LYS A 24 -0.176 -6.127 8.465 1.00 0.00 O ATOM 371 CB LYS A 24 -2.917 -4.466 9.722 1.00 0.00 C ATOM 372 CG LYS A 24 -2.904 -5.473 10.879 1.00 0.00 C ATOM 373 CD LYS A 24 -4.124 -5.185 11.779 1.00 0.00 C ATOM 374 CE LYS A 24 -4.185 -6.015 13.066 1.00 0.00 C ATOM 375 NZ LYS A 24 -4.446 -7.447 12.837 1.00 0.00 N ATOM 0 H LYS A 24 -2.804 -2.824 8.036 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.802 -4.131 9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.205 -3.495 10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.699 -4.766 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.946 -6.493 10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.980 -5.384 11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.120 -4.128 12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.032 -5.365 11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.242 -5.908 13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.965 -5.611 13.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.474 -7.945 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.359 -7.560 12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.689 -7.848 12.247 1.00 0.00 H new ATOM 389 N GLU A 25 -1.812 -5.763 6.961 1.00 0.00 N ATOM 390 CA GLU A 25 -1.432 -6.783 5.976 1.00 0.00 C ATOM 391 C GLU A 25 -0.129 -6.427 5.239 1.00 0.00 C ATOM 392 O GLU A 25 0.515 -7.320 4.684 1.00 0.00 O ATOM 393 CB GLU A 25 -2.582 -6.955 4.955 1.00 0.00 C ATOM 394 CG GLU A 25 -3.557 -8.112 5.268 1.00 0.00 C ATOM 395 CD GLU A 25 -3.326 -9.333 4.365 1.00 0.00 C ATOM 396 OE1 GLU A 25 -3.331 -9.189 3.124 1.00 0.00 O ATOM 397 OE2 GLU A 25 -2.976 -10.427 4.865 1.00 0.00 O ATOM 0 H GLU A 25 -2.649 -5.250 6.685 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.254 -7.716 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.148 -6.025 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.151 -7.119 3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.443 -8.408 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.582 -7.762 5.147 1.00 0.00 H new ATOM 404 N PHE A 26 0.282 -5.157 5.213 1.00 0.00 N ATOM 405 CA PHE A 26 1.565 -4.716 4.662 1.00 0.00 C ATOM 406 C PHE A 26 2.679 -4.727 5.718 1.00 0.00 C ATOM 407 O PHE A 26 3.814 -4.383 5.384 1.00 0.00 O ATOM 408 CB PHE A 26 1.414 -3.330 3.991 1.00 0.00 C ATOM 409 CG PHE A 26 1.368 -3.294 2.465 1.00 0.00 C ATOM 410 CD1 PHE A 26 0.893 -4.387 1.710 1.00 0.00 C ATOM 411 CD2 PHE A 26 1.791 -2.130 1.787 1.00 0.00 C ATOM 412 CE1 PHE A 26 0.874 -4.321 0.307 1.00 0.00 C ATOM 413 CE2 PHE A 26 1.719 -2.043 0.384 1.00 0.00 C ATOM 414 CZ PHE A 26 1.280 -3.152 -0.357 1.00 0.00 C ATOM 0 H PHE A 26 -0.280 -4.390 5.582 1.00 0.00 H new ATOM 0 HA PHE A 26 1.866 -5.430 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.500 -2.870 4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.244 -2.704 4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.543 -5.277 2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.175 -1.294 2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.545 -5.176 -0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.000 -1.129 -0.119 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.255 -3.106 -1.436 1.00 0.00 H new ATOM 424 N HIS A 27 2.407 -5.114 6.969 1.00 0.00 N ATOM 425 CA HIS A 27 3.467 -5.325 7.943 1.00 0.00 C ATOM 426 C HIS A 27 4.242 -6.595 7.578 1.00 0.00 C ATOM 427 O HIS A 27 5.466 -6.552 7.440 1.00 0.00 O ATOM 428 CB HIS A 27 2.886 -5.409 9.361 1.00 0.00 C ATOM 429 CG HIS A 27 3.930 -5.419 10.450 1.00 0.00 C ATOM 430 ND1 HIS A 27 5.238 -4.994 10.345 1.00 0.00 N ATOM 431 CD2 HIS A 27 3.741 -5.859 11.734 1.00 0.00 C ATOM 432 CE1 HIS A 27 5.821 -5.176 11.537 1.00 0.00 C ATOM 433 NE2 HIS A 27 4.957 -5.724 12.411 1.00 0.00 N ATOM 0 H HIS A 27 1.466 -5.285 7.323 1.00 0.00 H new ATOM 0 HA HIS A 27 4.155 -4.480 7.924 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.218 -4.563 9.520 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.282 -6.312 9.442 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.820 -6.241 12.148 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.845 -4.918 11.765 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.151 -5.989 13.377 1.00 0.00 H new ATOM 441 N CYS A 28 3.520 -7.704 7.393 1.00 0.00 N ATOM 442 CA CYS A 28 4.089 -9.022 7.184 1.00 0.00 C ATOM 443 C CYS A 28 4.840 -9.080 5.858 1.00 0.00 C ATOM 444 O CYS A 28 5.993 -9.512 5.778 1.00 0.00 O ATOM 445 CB CYS A 28 2.950 -10.055 7.161 1.00 0.00 C ATOM 446 SG CYS A 28 1.963 -9.960 8.673 1.00 0.00 S ATOM 0 H CYS A 28 2.500 -7.701 7.386 1.00 0.00 H new ATOM 0 HA CYS A 28 4.788 -9.239 7.992 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.313 -9.880 6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.365 -11.057 7.055 1.00 0.00 H new ATOM 0 HG CYS A 28 1.009 -10.841 8.624 1.00 0.00 H new ATOM 452 N LYS A 29 4.152 -8.711 4.782 1.00 0.00 N ATOM 453 CA LYS A 29 4.525 -9.104 3.433 1.00 0.00 C ATOM 454 C LYS A 29 4.510 -7.900 2.521 1.00 0.00 C ATOM 455 O LYS A 29 3.907 -6.872 2.839 1.00 0.00 O ATOM 456 CB LYS A 29 3.637 -10.268 2.977 1.00 0.00 C ATOM 457 CG LYS A 29 2.124 -10.009 3.011 1.00 0.00 C ATOM 458 CD LYS A 29 1.605 -9.324 1.741 1.00 0.00 C ATOM 459 CE LYS A 29 0.105 -9.535 1.599 1.00 0.00 C ATOM 460 NZ LYS A 29 -0.648 -9.112 2.793 1.00 0.00 N ATOM 0 H LYS A 29 3.316 -8.128 4.825 1.00 0.00 H new ATOM 0 HA LYS A 29 5.549 -9.477 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.918 -10.537 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.853 -11.132 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.602 -10.956 3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.886 -9.388 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.826 -8.257 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.119 -9.725 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.255 -8.980 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.092 -10.589 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.644 -8.954 2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.590 -9.853 3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.242 -8.230 3.165 1.00 0.00 H new ATOM 474 N LYS A 30 5.232 -7.988 1.408 1.00 0.00 N ATOM 475 CA LYS A 30 5.555 -6.792 0.636 1.00 0.00 C ATOM 476 C LYS A 30 4.521 -6.412 -0.414 1.00 0.00 C ATOM 477 O LYS A 30 4.530 -5.282 -0.920 1.00 0.00 O ATOM 478 CB LYS A 30 6.943 -6.964 -0.005 1.00 0.00 C ATOM 479 CG LYS A 30 7.926 -5.991 0.641 1.00 0.00 C ATOM 480 CD LYS A 30 7.548 -4.545 0.304 1.00 0.00 C ATOM 481 CE LYS A 30 8.470 -3.629 1.097 1.00 0.00 C ATOM 482 NZ LYS A 30 8.074 -2.215 0.995 1.00 0.00 N ATOM 0 H LYS A 30 5.599 -8.859 1.025 1.00 0.00 H new ATOM 0 HA LYS A 30 5.553 -5.961 1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.291 -7.989 0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.885 -6.781 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.928 -6.130 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.937 -6.200 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.654 -4.361 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.506 -4.353 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.466 -3.931 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.492 -3.745 0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.730 -1.630 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.103 -1.917 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.109 -2.097 1.363 1.00 0.00 H new ATOM 496 N TYR A 31 3.686 -7.365 -0.784 1.00 0.00 N ATOM 497 CA TYR A 31 3.078 -7.455 -2.092 1.00 0.00 C ATOM 498 C TYR A 31 1.622 -7.886 -1.931 1.00 0.00 C ATOM 499 O TYR A 31 1.085 -7.781 -0.831 1.00 0.00 O ATOM 500 CB TYR A 31 3.981 -8.380 -2.922 1.00 0.00 C ATOM 501 CG TYR A 31 4.423 -9.676 -2.247 1.00 0.00 C ATOM 502 CD1 TYR A 31 3.486 -10.657 -1.857 1.00 0.00 C ATOM 503 CD2 TYR A 31 5.795 -9.896 -2.004 1.00 0.00 C ATOM 504 CE1 TYR A 31 3.920 -11.849 -1.250 1.00 0.00 C ATOM 505 CE2 TYR A 31 6.235 -11.094 -1.414 1.00 0.00 C ATOM 506 CZ TYR A 31 5.298 -12.084 -1.044 1.00 0.00 C ATOM 507 OH TYR A 31 5.720 -13.247 -0.472 1.00 0.00 O ATOM 0 H TYR A 31 3.405 -8.121 -0.159 1.00 0.00 H new ATOM 0 HA TYR A 31 3.015 -6.510 -2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.456 -8.635 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.872 -7.822 -3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.432 -10.492 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.514 -9.137 -2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.197 -12.588 -0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.289 -11.257 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 31 6.698 -13.243 -0.407 1.00 0.00 H new ATOM 517 N LEU A 32 0.946 -8.274 -3.015 1.00 0.00 N ATOM 518 CA LEU A 32 -0.449 -8.693 -2.973 1.00 0.00 C ATOM 519 C LEU A 32 -0.639 -9.781 -4.036 1.00 0.00 C ATOM 520 O LEU A 32 -1.053 -9.536 -5.177 1.00 0.00 O ATOM 521 CB LEU A 32 -1.371 -7.472 -3.154 1.00 0.00 C ATOM 522 CG LEU A 32 -2.501 -7.345 -2.123 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.046 -7.199 -0.669 1.00 0.00 C ATOM 524 CD2 LEU A 32 -3.333 -6.101 -2.462 1.00 0.00 C ATOM 0 H LEU A 32 1.356 -8.305 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.719 -9.119 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.762 -6.569 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.813 -7.515 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.059 -8.279 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.919 -7.117 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.462 -8.073 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.433 -6.303 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.141 -5.996 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.697 -5.217 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.753 -6.206 -3.462 1.00 0.00 H new ATOM 536 N SER A 33 -0.247 -10.987 -3.660 1.00 0.00 N ATOM 537 CA SER A 33 -0.222 -12.209 -4.453 1.00 0.00 C ATOM 538 C SER A 33 -1.656 -12.741 -4.625 1.00 0.00 C ATOM 539 O SER A 33 -2.091 -13.684 -3.968 1.00 0.00 O ATOM 540 CB SER A 33 0.753 -13.214 -3.815 1.00 0.00 C ATOM 541 OG SER A 33 1.298 -14.057 -4.811 1.00 0.00 O ATOM 0 H SER A 33 0.091 -11.152 -2.712 1.00 0.00 H new ATOM 0 HA SER A 33 0.152 -12.019 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.553 -12.681 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.234 -13.811 -3.065 1.00 0.00 H new ATOM 0 HG SER A 33 1.919 -14.693 -4.398 1.00 0.00 H new ATOM 547 N LEU A 34 -2.410 -12.047 -5.479 1.00 0.00 N ATOM 548 CA LEU A 34 -3.857 -12.090 -5.664 1.00 0.00 C ATOM 549 C LEU A 34 -4.608 -12.097 -4.328 1.00 0.00 C ATOM 550 O LEU A 34 -4.918 -11.004 -3.859 1.00 0.00 O ATOM 551 CB LEU A 34 -4.292 -13.170 -6.663 1.00 0.00 C ATOM 552 CG LEU A 34 -5.676 -12.947 -7.317 1.00 0.00 C ATOM 553 CD1 LEU A 34 -6.846 -12.828 -6.334 1.00 0.00 C ATOM 554 CD2 LEU A 34 -5.714 -11.704 -8.217 1.00 0.00 C ATOM 0 H LEU A 34 -1.980 -11.378 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.156 -11.157 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.542 -13.235 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.301 -14.132 -6.151 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.807 -13.857 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.772 -12.673 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.923 -13.743 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.677 -11.982 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.709 -11.598 -8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.479 -10.819 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.981 -11.811 -9.017 1.00 0.00 H new ATOM 566 N THR A 35 -4.827 -13.259 -3.706 1.00 0.00 N ATOM 567 CA THR A 35 -5.767 -13.568 -2.630 1.00 0.00 C ATOM 568 C THR A 35 -5.735 -12.578 -1.471 1.00 0.00 C ATOM 569 O THR A 35 -6.771 -12.317 -0.871 1.00 0.00 O ATOM 570 CB THR A 35 -5.451 -14.987 -2.118 1.00 0.00 C ATOM 571 OG1 THR A 35 -5.358 -15.886 -3.208 1.00 0.00 O ATOM 572 CG2 THR A 35 -6.505 -15.532 -1.151 1.00 0.00 C ATOM 0 H THR A 35 -4.296 -14.088 -3.972 1.00 0.00 H new ATOM 0 HA THR A 35 -6.773 -13.499 -3.043 1.00 0.00 H new ATOM 0 HB THR A 35 -4.506 -14.907 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.155 -16.785 -2.874 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.221 -16.534 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.574 -14.878 -0.282 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.472 -15.573 -1.652 1.00 0.00 H new ATOM 580 N GLU A 36 -4.574 -11.998 -1.172 1.00 0.00 N ATOM 581 CA GLU A 36 -4.381 -11.060 -0.079 1.00 0.00 C ATOM 582 C GLU A 36 -5.286 -9.844 -0.300 1.00 0.00 C ATOM 583 O GLU A 36 -5.951 -9.370 0.615 1.00 0.00 O ATOM 584 CB GLU A 36 -2.888 -10.713 -0.038 1.00 0.00 C ATOM 585 CG GLU A 36 -2.041 -11.920 0.426 1.00 0.00 C ATOM 586 CD GLU A 36 -0.813 -12.193 -0.454 1.00 0.00 C ATOM 587 OE1 GLU A 36 -0.148 -11.231 -0.898 1.00 0.00 O ATOM 588 OE2 GLU A 36 -0.523 -13.387 -0.699 1.00 0.00 O ATOM 0 H GLU A 36 -3.720 -12.176 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.659 -11.477 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.560 -10.395 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.727 -9.872 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.711 -11.747 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.671 -12.809 0.440 1.00 0.00 H new ATOM 595 N ARG A 37 -5.412 -9.396 -1.552 1.00 0.00 N ATOM 596 CA ARG A 37 -6.298 -8.298 -1.899 1.00 0.00 C ATOM 597 C ARG A 37 -7.759 -8.638 -1.644 1.00 0.00 C ATOM 598 O ARG A 37 -8.532 -7.769 -1.244 1.00 0.00 O ATOM 599 CB ARG A 37 -6.056 -7.862 -3.348 1.00 0.00 C ATOM 600 CG ARG A 37 -6.913 -8.545 -4.428 1.00 0.00 C ATOM 601 CD ARG A 37 -6.404 -8.239 -5.834 1.00 0.00 C ATOM 602 NE ARG A 37 -5.006 -8.651 -6.021 1.00 0.00 N ATOM 603 CZ ARG A 37 -4.323 -8.560 -7.162 1.00 0.00 C ATOM 604 NH1 ARG A 37 -4.923 -8.116 -8.267 1.00 0.00 N ATOM 605 NH2 ARG A 37 -3.043 -8.923 -7.201 1.00 0.00 N ATOM 0 H ARG A 37 -4.903 -9.786 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.065 -7.457 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.222 -6.787 -3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.007 -8.037 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.909 -9.623 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.947 -8.212 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.032 -8.749 -6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.495 -7.170 -6.027 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.519 -9.038 -5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.906 -7.845 -8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.399 -8.047 -9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.586 -9.271 -6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.520 -8.854 -8.074 1.00 0.00 H new ATOM 619 N SER A 38 -8.124 -9.884 -1.937 1.00 0.00 N ATOM 620 CA SER A 38 -9.469 -10.398 -1.816 1.00 0.00 C ATOM 621 C SER A 38 -9.828 -10.596 -0.341 1.00 0.00 C ATOM 622 O SER A 38 -11.004 -10.797 -0.045 1.00 0.00 O ATOM 623 CB SER A 38 -9.582 -11.700 -2.623 1.00 0.00 C ATOM 624 OG SER A 38 -9.064 -11.522 -3.938 1.00 0.00 O ATOM 0 H SER A 38 -7.461 -10.581 -2.276 1.00 0.00 H new ATOM 0 HA SER A 38 -10.185 -9.684 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.037 -12.496 -2.116 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.625 -12.012 -2.676 1.00 0.00 H new ATOM 0 HG SER A 38 -9.143 -12.362 -4.437 1.00 0.00 H new ATOM 630 N GLN A 39 -8.862 -10.510 0.584 1.00 0.00 N ATOM 631 CA GLN A 39 -9.165 -10.400 2.002 1.00 0.00 C ATOM 632 C GLN A 39 -9.745 -9.011 2.240 1.00 0.00 C ATOM 633 O GLN A 39 -10.949 -8.902 2.457 1.00 0.00 O ATOM 634 CB GLN A 39 -7.953 -10.715 2.896 1.00 0.00 C ATOM 635 CG GLN A 39 -7.301 -12.059 2.557 1.00 0.00 C ATOM 636 CD GLN A 39 -6.535 -12.645 3.738 1.00 0.00 C ATOM 637 OE1 GLN A 39 -7.006 -13.597 4.361 1.00 0.00 O ATOM 638 NE2 GLN A 39 -5.374 -12.114 4.086 1.00 0.00 N ATOM 0 H GLN A 39 -7.865 -10.515 0.367 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.900 -11.153 2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.214 -9.921 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.268 -10.722 3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.070 -12.764 2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.621 -11.928 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.996 -11.326 3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.857 -12.493 4.879 1.00 0.00 H new ATOM 647 N ILE A 40 -8.932 -7.953 2.127 1.00 0.00 N ATOM 648 CA ILE A 40 -9.348 -6.591 2.464 1.00 0.00 C ATOM 649 C ILE A 40 -10.634 -6.228 1.706 1.00 0.00 C ATOM 650 O ILE A 40 -11.566 -5.671 2.292 1.00 0.00 O ATOM 651 CB ILE A 40 -8.206 -5.575 2.205 1.00 0.00 C ATOM 652 CG1 ILE A 40 -6.962 -5.712 3.121 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.726 -4.144 2.388 1.00 0.00 C ATOM 654 CD1 ILE A 40 -5.947 -6.742 2.618 1.00 0.00 C ATOM 0 H ILE A 40 -7.968 -8.020 1.799 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.568 -6.544 3.531 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.888 -5.795 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.473 -4.742 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.287 -5.992 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.917 -3.437 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.537 -3.959 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.094 -4.018 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.103 -6.787 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.421 -7.722 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.594 -6.452 1.628 1.00 0.00 H new ATOM 666 N ALA A 41 -10.679 -6.520 0.401 1.00 0.00 N ATOM 667 CA ALA A 41 -11.785 -6.151 -0.470 1.00 0.00 C ATOM 668 C ALA A 41 -13.107 -6.840 -0.123 1.00 0.00 C ATOM 669 O ALA A 41 -14.137 -6.434 -0.670 1.00 0.00 O ATOM 670 CB ALA A 41 -11.401 -6.428 -1.923 1.00 0.00 C ATOM 0 H ALA A 41 -9.935 -7.026 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.963 -5.086 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.228 -6.152 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.520 -5.841 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.180 -7.488 -2.045 1.00 0.00 H new ATOM 676 N HIS A 42 -13.107 -7.863 0.735 1.00 0.00 N ATOM 677 CA HIS A 42 -14.309 -8.574 1.149 1.00 0.00 C ATOM 678 C HIS A 42 -14.465 -8.569 2.674 1.00 0.00 C ATOM 679 O HIS A 42 -15.485 -9.039 3.181 1.00 0.00 O ATOM 680 CB HIS A 42 -14.261 -9.996 0.578 1.00 0.00 C ATOM 681 CG HIS A 42 -15.586 -10.618 0.192 1.00 0.00 C ATOM 682 ND1 HIS A 42 -15.740 -11.698 -0.653 1.00 0.00 N ATOM 683 CD2 HIS A 42 -16.840 -10.255 0.611 1.00 0.00 C ATOM 684 CE1 HIS A 42 -17.048 -11.989 -0.725 1.00 0.00 C ATOM 685 NE2 HIS A 42 -17.759 -11.140 0.034 1.00 0.00 N ATOM 0 H HIS A 42 -12.255 -8.223 1.166 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.189 -8.066 0.755 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.619 -9.988 -0.303 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.783 -10.642 1.314 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -17.077 -9.432 1.269 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.469 -12.793 -1.311 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -18.771 -11.140 0.165 1.00 0.00 H new ATOM 693 N ALA A 43 -13.520 -7.993 3.419 1.00 0.00 N ATOM 694 CA ALA A 43 -13.507 -7.980 4.864 1.00 0.00 C ATOM 695 C ALA A 43 -13.971 -6.622 5.371 1.00 0.00 C ATOM 696 O ALA A 43 -14.835 -6.571 6.252 1.00 0.00 O ATOM 697 CB ALA A 43 -12.091 -8.309 5.344 1.00 0.00 C ATOM 0 H ALA A 43 -12.721 -7.509 3.009 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.192 -8.729 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.066 -8.303 6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.803 -9.295 4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.394 -7.563 4.961 1.00 0.00 H new ATOM 703 N LEU A 44 -13.407 -5.528 4.838 1.00 0.00 N ATOM 704 CA LEU A 44 -13.730 -4.215 5.362 1.00 0.00 C ATOM 705 C LEU A 44 -14.955 -3.652 4.641 1.00 0.00 C ATOM 706 O LEU A 44 -16.064 -3.910 5.097 1.00 0.00 O ATOM 707 CB LEU A 44 -12.509 -3.285 5.213 1.00 0.00 C ATOM 708 CG LEU A 44 -11.606 -3.185 6.449 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.320 -2.483 6.011 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.244 -2.345 7.558 1.00 0.00 C ATOM 0 H LEU A 44 -12.743 -5.535 4.064 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.973 -4.290 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.909 -3.633 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.863 -2.286 4.960 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.431 -4.187 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.647 -2.391 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.836 -3.066 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.559 -1.491 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.571 -2.301 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.429 -1.336 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.187 -2.799 7.862 1.00 0.00 H new ATOM 722 N LYS A 45 -14.758 -2.954 3.511 1.00 0.00 N ATOM 723 CA LYS A 45 -15.687 -2.153 2.708 1.00 0.00 C ATOM 724 C LYS A 45 -15.127 -1.858 1.297 1.00 0.00 C ATOM 725 O LYS A 45 -15.598 -0.920 0.650 1.00 0.00 O ATOM 726 CB LYS A 45 -15.966 -0.825 3.456 1.00 0.00 C ATOM 727 CG LYS A 45 -16.852 -1.001 4.693 1.00 0.00 C ATOM 728 CD LYS A 45 -16.147 -0.899 6.058 1.00 0.00 C ATOM 729 CE LYS A 45 -16.133 0.541 6.584 1.00 0.00 C ATOM 730 NZ LYS A 45 -15.604 0.622 7.963 1.00 0.00 N ATOM 0 H LYS A 45 -13.829 -2.938 3.091 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.609 -2.720 2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.018 -0.380 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.444 -0.124 2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.641 -0.249 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.337 -1.975 4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.652 -1.544 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.124 -1.263 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.525 1.162 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.145 0.946 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.612 1.612 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.198 0.051 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.629 0.260 7.983 1.00 0.00 H new ATOM 744 N LEU A 46 -14.063 -2.534 0.840 1.00 0.00 N ATOM 745 CA LEU A 46 -13.274 -2.079 -0.317 1.00 0.00 C ATOM 746 C LEU A 46 -13.713 -2.786 -1.609 1.00 0.00 C ATOM 747 O LEU A 46 -14.700 -3.519 -1.628 1.00 0.00 O ATOM 748 CB LEU A 46 -11.751 -2.171 -0.046 1.00 0.00 C ATOM 749 CG LEU A 46 -11.229 -1.127 0.961 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.565 -1.532 2.393 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.715 -0.945 0.855 1.00 0.00 C ATOM 0 H LEU A 46 -13.727 -3.403 1.256 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.480 -1.020 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.518 -3.168 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.217 -2.050 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.722 -0.187 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.185 -0.778 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.646 -1.614 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.104 -2.494 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.386 -0.201 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.219 -1.894 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.458 -0.609 -0.150 1.00 0.00 H new ATOM 763 N SER A 47 -13.016 -2.516 -2.716 1.00 0.00 N ATOM 764 CA SER A 47 -13.396 -2.879 -4.075 1.00 0.00 C ATOM 765 C SER A 47 -12.231 -3.599 -4.753 1.00 0.00 C ATOM 766 O SER A 47 -11.176 -2.987 -4.906 1.00 0.00 O ATOM 767 CB SER A 47 -13.782 -1.591 -4.835 1.00 0.00 C ATOM 768 OG SER A 47 -13.337 -0.395 -4.197 1.00 0.00 O ATOM 0 H SER A 47 -12.129 -2.014 -2.682 1.00 0.00 H new ATOM 0 HA SER A 47 -14.251 -3.555 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.364 -1.634 -5.841 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.866 -1.554 -4.942 1.00 0.00 H new ATOM 0 HG SER A 47 -13.612 0.381 -4.729 1.00 0.00 H new ATOM 774 N GLU A 48 -12.371 -4.868 -5.160 1.00 0.00 N ATOM 775 CA GLU A 48 -11.291 -5.621 -5.812 1.00 0.00 C ATOM 776 C GLU A 48 -10.731 -4.879 -7.025 1.00 0.00 C ATOM 777 O GLU A 48 -9.527 -4.965 -7.275 1.00 0.00 O ATOM 778 CB GLU A 48 -11.715 -7.013 -6.314 1.00 0.00 C ATOM 779 CG GLU A 48 -12.318 -7.959 -5.274 1.00 0.00 C ATOM 780 CD GLU A 48 -13.829 -7.777 -5.200 1.00 0.00 C ATOM 781 OE1 GLU A 48 -14.303 -6.822 -4.544 1.00 0.00 O ATOM 782 OE2 GLU A 48 -14.563 -8.551 -5.854 1.00 0.00 O ATOM 0 H GLU A 48 -13.234 -5.400 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.543 -5.730 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.441 -6.880 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.843 -7.498 -6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.082 -8.991 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.874 -7.766 -4.297 1.00 0.00 H new ATOM 789 N VAL A 49 -11.587 -4.170 -7.773 1.00 0.00 N ATOM 790 CA VAL A 49 -11.167 -3.383 -8.923 1.00 0.00 C ATOM 791 C VAL A 49 -10.200 -2.306 -8.443 1.00 0.00 C ATOM 792 O VAL A 49 -9.108 -2.182 -8.978 1.00 0.00 O ATOM 793 CB VAL A 49 -12.375 -2.761 -9.653 1.00 0.00 C ATOM 794 CG1 VAL A 49 -11.877 -1.941 -10.848 1.00 0.00 C ATOM 795 CG2 VAL A 49 -13.355 -3.815 -10.176 1.00 0.00 C ATOM 0 H VAL A 49 -12.590 -4.131 -7.591 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.668 -4.031 -9.643 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.899 -2.138 -8.928 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.728 -1.500 -11.367 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.216 -1.149 -10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.332 -2.590 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.185 -3.321 -10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.842 -4.472 -10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.736 -4.403 -9.341 1.00 0.00 H new ATOM 805 N GLN A 50 -10.584 -1.525 -7.435 1.00 0.00 N ATOM 806 CA GLN A 50 -9.787 -0.428 -6.941 1.00 0.00 C ATOM 807 C GLN A 50 -8.513 -0.952 -6.261 1.00 0.00 C ATOM 808 O GLN A 50 -7.428 -0.410 -6.473 1.00 0.00 O ATOM 809 CB GLN A 50 -10.664 0.380 -5.981 1.00 0.00 C ATOM 810 CG GLN A 50 -10.483 1.890 -6.092 1.00 0.00 C ATOM 811 CD GLN A 50 -9.039 2.356 -6.156 1.00 0.00 C ATOM 812 OE1 GLN A 50 -8.264 2.043 -5.128 1.00 0.00 O flip ATOM 813 NE2 GLN A 50 -8.620 3.035 -7.092 1.00 0.00 N flip ATOM 0 H GLN A 50 -11.468 -1.646 -6.940 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.455 0.215 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.710 0.136 -6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.443 0.073 -4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.003 2.239 -6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.965 2.363 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.236 3.263 -7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.657 3.370 -7.088 1.00 0.00 H new ATOM 822 N VAL A 51 -8.609 -2.000 -5.435 1.00 0.00 N ATOM 823 CA VAL A 51 -7.442 -2.589 -4.783 1.00 0.00 C ATOM 824 C VAL A 51 -6.458 -3.117 -5.843 1.00 0.00 C ATOM 825 O VAL A 51 -5.251 -3.039 -5.617 1.00 0.00 O ATOM 826 CB VAL A 51 -7.852 -3.643 -3.723 1.00 0.00 C ATOM 827 CG1 VAL A 51 -6.623 -4.191 -2.984 1.00 0.00 C ATOM 828 CG2 VAL A 51 -8.754 -3.036 -2.629 1.00 0.00 C ATOM 0 H VAL A 51 -9.491 -2.458 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.914 -1.818 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.375 -4.424 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.941 -4.928 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.948 -4.661 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.107 -3.374 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.019 -3.808 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.220 -2.232 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.661 -2.639 -3.084 1.00 0.00 H new ATOM 838 N LYS A 52 -6.926 -3.523 -7.035 1.00 0.00 N ATOM 839 CA LYS A 52 -6.080 -3.875 -8.181 1.00 0.00 C ATOM 840 C LYS A 52 -5.048 -2.789 -8.469 1.00 0.00 C ATOM 841 O LYS A 52 -3.942 -3.130 -8.870 1.00 0.00 O ATOM 842 CB LYS A 52 -6.950 -4.132 -9.427 1.00 0.00 C ATOM 843 CG LYS A 52 -6.375 -5.142 -10.428 1.00 0.00 C ATOM 844 CD LYS A 52 -7.488 -5.715 -11.326 1.00 0.00 C ATOM 845 CE LYS A 52 -8.149 -4.708 -12.272 1.00 0.00 C ATOM 846 NZ LYS A 52 -7.247 -4.295 -13.364 1.00 0.00 N ATOM 0 H LYS A 52 -7.923 -3.617 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.540 -4.788 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.928 -4.485 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.108 -3.184 -9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.617 -4.659 -11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.881 -5.952 -9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.070 -6.527 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.258 -6.150 -10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.052 -5.148 -12.695 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.458 -3.829 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.736 -3.614 -13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.397 -3.851 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.972 -5.129 -13.921 1.00 0.00 H new ATOM 860 N ILE A 53 -5.378 -1.509 -8.262 1.00 0.00 N ATOM 861 CA ILE A 53 -4.454 -0.399 -8.484 1.00 0.00 C ATOM 862 C ILE A 53 -3.756 0.009 -7.181 1.00 0.00 C ATOM 863 O ILE A 53 -2.623 0.490 -7.215 1.00 0.00 O ATOM 864 CB ILE A 53 -5.177 0.810 -9.105 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.096 0.432 -10.296 1.00 0.00 C ATOM 866 CG2 ILE A 53 -4.140 1.840 -9.593 1.00 0.00 C ATOM 867 CD1 ILE A 53 -7.573 0.526 -9.934 1.00 0.00 C ATOM 0 H ILE A 53 -6.299 -1.216 -7.934 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.694 -0.742 -9.187 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.810 1.225 -8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.887 1.092 -11.138 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.867 -0.583 -10.622 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.655 2.695 -10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.535 2.175 -8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.496 1.380 -10.342 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.178 0.252 -10.799 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.790 -0.154 -9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.810 1.547 -9.634 1.00 0.00 H new ATOM 879 N TRP A 54 -4.391 -0.174 -6.021 1.00 0.00 N ATOM 880 CA TRP A 54 -3.891 0.329 -4.742 1.00 0.00 C ATOM 881 C TRP A 54 -2.454 -0.129 -4.479 1.00 0.00 C ATOM 882 O TRP A 54 -1.630 0.660 -3.994 1.00 0.00 O ATOM 883 CB TRP A 54 -4.832 -0.118 -3.621 1.00 0.00 C ATOM 884 CG TRP A 54 -4.545 0.444 -2.261 1.00 0.00 C ATOM 885 CD1 TRP A 54 -5.210 1.471 -1.688 1.00 0.00 C ATOM 886 CD2 TRP A 54 -3.587 -0.019 -1.260 1.00 0.00 C ATOM 887 NE1 TRP A 54 -4.775 1.639 -0.386 1.00 0.00 N ATOM 888 CE2 TRP A 54 -3.734 0.785 -0.092 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.632 -1.056 -1.202 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.966 0.580 1.064 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.865 -1.276 -0.042 1.00 0.00 C ATOM 892 CH2 TRP A 54 -2.028 -0.464 1.092 1.00 0.00 C ATOM 0 H TRP A 54 -5.274 -0.680 -5.944 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.870 1.418 -4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.850 0.155 -3.898 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.799 -1.206 -3.558 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.967 2.070 -2.173 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.173 2.309 0.272 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.487 -1.692 -2.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.095 1.220 1.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.143 -2.079 -0.024 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.437 -0.641 1.978 1.00 0.00 H new ATOM 903 N PHE A 55 -2.131 -1.375 -4.837 1.00 0.00 N ATOM 904 CA PHE A 55 -0.760 -1.879 -4.707 1.00 0.00 C ATOM 905 C PHE A 55 0.056 -1.600 -5.974 1.00 0.00 C ATOM 906 O PHE A 55 1.233 -1.243 -5.859 1.00 0.00 O ATOM 907 CB PHE A 55 -0.714 -3.351 -4.277 1.00 0.00 C ATOM 908 CG PHE A 55 -1.137 -4.323 -5.348 1.00 0.00 C ATOM 909 CD1 PHE A 55 -2.500 -4.605 -5.525 1.00 0.00 C ATOM 910 CD2 PHE A 55 -0.176 -4.905 -6.195 1.00 0.00 C ATOM 911 CE1 PHE A 55 -2.911 -5.421 -6.586 1.00 0.00 C ATOM 912 CE2 PHE A 55 -0.587 -5.728 -7.255 1.00 0.00 C ATOM 913 CZ PHE A 55 -1.956 -5.956 -7.466 1.00 0.00 C ATOM 0 H PHE A 55 -2.795 -2.050 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.285 -1.326 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.301 -3.594 -3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.358 -3.484 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.231 -4.194 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.875 -4.719 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.959 -5.638 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.146 -6.183 -7.905 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.277 -6.547 -8.311 1.00 0.00 H new ATOM 923 N GLN A 56 -0.568 -1.684 -7.158 1.00 0.00 N ATOM 924 CA GLN A 56 0.021 -1.371 -8.461 1.00 0.00 C ATOM 925 C GLN A 56 0.672 0.012 -8.465 1.00 0.00 C ATOM 926 O GLN A 56 1.736 0.198 -9.051 1.00 0.00 O ATOM 927 CB GLN A 56 -1.058 -1.504 -9.542 1.00 0.00 C ATOM 928 CG GLN A 56 -0.554 -1.710 -10.983 1.00 0.00 C ATOM 929 CD GLN A 56 -1.244 -2.905 -11.648 1.00 0.00 C ATOM 930 OE1 GLN A 56 -0.575 -3.827 -12.106 1.00 0.00 O ATOM 931 NE2 GLN A 56 -2.557 -2.974 -11.680 1.00 0.00 N ATOM 0 H GLN A 56 -1.540 -1.986 -7.233 1.00 0.00 H new ATOM 0 HA GLN A 56 0.820 -2.081 -8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.703 -2.343 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.677 -0.607 -9.520 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.739 -0.809 -11.568 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.524 -1.869 -10.974 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.117 -2.211 -11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.015 -3.791 -12.084 1.00 0.00 H new ATOM 940 N ASN A 57 0.107 0.966 -7.725 1.00 0.00 N ATOM 941 CA ASN A 57 0.614 2.331 -7.632 1.00 0.00 C ATOM 942 C ASN A 57 2.026 2.441 -7.095 1.00 0.00 C ATOM 943 O ASN A 57 2.663 3.475 -7.317 1.00 0.00 O ATOM 944 CB ASN A 57 -0.288 3.192 -6.725 1.00 0.00 C ATOM 945 CG ASN A 57 -1.306 4.038 -7.465 1.00 0.00 C ATOM 946 OD1 ASN A 57 -0.964 4.839 -8.330 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.570 3.939 -7.096 1.00 0.00 N ATOM 0 H ASN A 57 -0.730 0.807 -7.164 1.00 0.00 H new ATOM 0 HA ASN A 57 0.614 2.688 -8.662 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.815 2.536 -6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.343 3.848 -6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.276 4.533 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.840 3.269 -6.376 1.00 0.00 H new ATOM 954 N ARG A 58 2.548 1.419 -6.425 1.00 0.00 N ATOM 955 CA ARG A 58 3.909 1.433 -5.914 1.00 0.00 C ATOM 956 C ARG A 58 4.818 0.528 -6.743 1.00 0.00 C ATOM 957 O ARG A 58 6.014 0.509 -6.478 1.00 0.00 O ATOM 958 CB ARG A 58 3.859 1.097 -4.413 1.00 0.00 C ATOM 959 CG ARG A 58 4.962 1.758 -3.570 1.00 0.00 C ATOM 960 CD ARG A 58 4.459 2.003 -2.139 1.00 0.00 C ATOM 961 NE ARG A 58 3.592 3.196 -2.046 1.00 0.00 N ATOM 962 CZ ARG A 58 2.913 3.586 -0.958 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.909 2.847 0.146 1.00 0.00 N ATOM 964 NH2 ARG A 58 2.230 4.729 -0.974 1.00 0.00 N ATOM 0 H ARG A 58 2.038 0.559 -6.222 1.00 0.00 H new ATOM 0 HA ARG A 58 4.359 2.421 -6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.889 1.400 -4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.928 0.016 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.846 1.120 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.261 2.702 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.907 1.128 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.313 2.124 -1.472 1.00 0.00 H new ATOM 0 HE ARG A 58 3.502 3.773 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.428 1.969 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.387 3.158 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.224 5.308 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.713 5.026 -0.146 1.00 0.00 H new