USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 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 33:sc= 0.435 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.593 X(o=-0.16,f=0.19) USER MOD Set 2.1: A 15 THR OG1 : rot -71:sc= 1.2 USER MOD Set 2.2: A 18 GLN : amide:sc= 1.47 K(o=2.7,f=0.42) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.11) 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+ -154:sc= 0.19 (180deg=-0.0746) 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 USER MOD Single : A 38 SER OG : rot -32:sc= 1.32 USER MOD Single : A 39 GLN : amide:sc= -0.0869 K(o=-0.087,f=-1.1) USER MOD Single : A 42 HIS : no HE2:sc= 0.0547 X(o=0.055,f=-0.37) USER MOD Single : A 45 LYS NZ :NH3+ -156:sc=0.000127 (180deg=-0.218) 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= -0.541 X(o=-0.54,f=-0.078) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 179 N THR A 12 -8.286 6.705 -6.457 1.00 0.00 N ATOM 180 CA THR A 12 -8.560 6.004 -5.210 1.00 0.00 C ATOM 181 C THR A 12 -9.076 6.989 -4.169 1.00 0.00 C ATOM 182 O THR A 12 -8.443 8.024 -3.929 1.00 0.00 O ATOM 183 CB THR A 12 -7.328 5.241 -4.695 1.00 0.00 C ATOM 184 OG1 THR A 12 -6.955 4.249 -5.632 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.574 4.568 -3.339 1.00 0.00 C ATOM 0 HA THR A 12 -9.330 5.256 -5.402 1.00 0.00 H new ATOM 0 HB THR A 12 -6.533 5.975 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.158 4.562 -6.538 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.672 4.044 -3.024 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.832 5.325 -2.598 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.394 3.856 -3.430 1.00 0.00 H new ATOM 193 N ALA A 13 -10.191 6.602 -3.558 1.00 0.00 N ATOM 194 CA ALA A 13 -10.829 7.189 -2.403 1.00 0.00 C ATOM 195 C ALA A 13 -11.034 6.036 -1.418 1.00 0.00 C ATOM 196 O ALA A 13 -12.047 5.331 -1.487 1.00 0.00 O ATOM 197 CB ALA A 13 -12.149 7.840 -2.837 1.00 0.00 C ATOM 0 H ALA A 13 -10.713 5.794 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.238 7.976 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.637 8.286 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.947 8.614 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.802 7.083 -3.272 1.00 0.00 H new ATOM 203 N PHE A 14 -10.045 5.779 -0.561 1.00 0.00 N ATOM 204 CA PHE A 14 -10.205 4.968 0.641 1.00 0.00 C ATOM 205 C PHE A 14 -9.850 5.837 1.846 1.00 0.00 C ATOM 206 O PHE A 14 -9.183 6.871 1.721 1.00 0.00 O ATOM 207 CB PHE A 14 -9.293 3.732 0.627 1.00 0.00 C ATOM 208 CG PHE A 14 -9.407 2.773 -0.542 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.653 2.286 -0.983 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.229 2.320 -1.164 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.707 1.346 -2.029 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.285 1.392 -2.213 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.522 0.885 -2.630 1.00 0.00 C ATOM 0 H PHE A 14 -9.097 6.135 -0.687 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.235 4.615 0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.261 4.079 0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.482 3.168 1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.565 2.633 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.272 2.691 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.662 0.977 -2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.376 1.069 -2.699 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.566 0.141 -3.412 1.00 0.00 H new ATOM 223 N THR A 15 -10.256 5.379 3.015 1.00 0.00 N ATOM 224 CA THR A 15 -10.215 6.108 4.277 1.00 0.00 C ATOM 225 C THR A 15 -9.230 5.422 5.224 1.00 0.00 C ATOM 226 O THR A 15 -8.901 4.256 5.023 1.00 0.00 O ATOM 227 CB THR A 15 -11.643 6.144 4.856 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.134 4.842 5.092 1.00 0.00 O ATOM 229 CG2 THR A 15 -12.623 6.808 3.890 1.00 0.00 C ATOM 0 H THR A 15 -10.644 4.441 3.120 1.00 0.00 H new ATOM 0 HA THR A 15 -9.871 7.132 4.134 1.00 0.00 H new ATOM 0 HB THR A 15 -11.574 6.709 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.314 4.400 4.236 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.620 6.816 4.331 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.304 7.832 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.645 6.251 2.954 1.00 0.00 H new ATOM 237 N SER A 16 -8.803 6.094 6.291 1.00 0.00 N ATOM 238 CA SER A 16 -7.970 5.482 7.319 1.00 0.00 C ATOM 239 C SER A 16 -8.675 4.244 7.899 1.00 0.00 C ATOM 240 O SER A 16 -8.075 3.176 7.972 1.00 0.00 O ATOM 241 CB SER A 16 -7.596 6.571 8.325 1.00 0.00 C ATOM 242 OG SER A 16 -7.060 6.059 9.525 1.00 0.00 O ATOM 0 H SER A 16 -9.025 7.074 6.465 1.00 0.00 H new ATOM 0 HA SER A 16 -7.032 5.091 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.870 7.244 7.869 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.481 7.164 8.554 1.00 0.00 H new ATOM 0 HG SER A 16 -6.839 6.800 10.127 1.00 0.00 H new ATOM 248 N GLU A 17 -9.981 4.325 8.164 1.00 0.00 N ATOM 249 CA GLU A 17 -10.822 3.203 8.583 1.00 0.00 C ATOM 250 C GLU A 17 -10.746 1.977 7.657 1.00 0.00 C ATOM 251 O GLU A 17 -10.967 0.849 8.115 1.00 0.00 O ATOM 252 CB GLU A 17 -12.266 3.709 8.608 1.00 0.00 C ATOM 253 CG GLU A 17 -12.663 4.324 9.948 1.00 0.00 C ATOM 254 CD GLU A 17 -13.880 5.221 9.738 1.00 0.00 C ATOM 255 OE1 GLU A 17 -14.982 4.682 9.488 1.00 0.00 O ATOM 256 OE2 GLU A 17 -13.712 6.462 9.795 1.00 0.00 O ATOM 0 H GLU A 17 -10.498 5.201 8.090 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.465 2.868 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.398 4.452 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.938 2.882 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.892 3.540 10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.835 4.902 10.358 1.00 0.00 H new ATOM 263 N GLN A 18 -10.485 2.199 6.368 1.00 0.00 N ATOM 264 CA GLN A 18 -10.358 1.206 5.306 1.00 0.00 C ATOM 265 C GLN A 18 -8.894 0.816 5.051 1.00 0.00 C ATOM 266 O GLN A 18 -8.632 -0.146 4.331 1.00 0.00 O ATOM 267 CB GLN A 18 -10.952 1.825 4.033 1.00 0.00 C ATOM 268 CG GLN A 18 -12.477 1.752 3.982 1.00 0.00 C ATOM 269 CD GLN A 18 -12.966 2.531 2.765 1.00 0.00 C ATOM 270 OE1 GLN A 18 -12.730 3.731 2.687 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.593 1.909 1.782 1.00 0.00 N ATOM 0 H GLN A 18 -10.347 3.146 6.016 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.883 0.297 5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.642 2.868 3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.541 1.314 3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.803 0.714 3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.905 2.168 4.894 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.787 0.910 1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.883 2.428 0.953 1.00 0.00 H new ATOM 280 N LEU A 19 -7.942 1.558 5.609 1.00 0.00 N ATOM 281 CA LEU A 19 -6.513 1.390 5.394 1.00 0.00 C ATOM 282 C LEU A 19 -5.824 0.653 6.541 1.00 0.00 C ATOM 283 O LEU A 19 -4.706 0.195 6.337 1.00 0.00 O ATOM 284 CB LEU A 19 -5.860 2.763 5.165 1.00 0.00 C ATOM 285 CG LEU A 19 -5.575 3.101 3.693 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.791 3.002 2.769 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.039 4.532 3.602 1.00 0.00 C ATOM 0 H LEU A 19 -8.156 2.323 6.249 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.387 0.768 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.509 3.533 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.923 2.802 5.721 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.854 2.357 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.496 3.258 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.181 1.985 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.563 3.693 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.835 4.778 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.781 5.224 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.119 4.614 4.181 1.00 0.00 H new ATOM 299 N LEU A 20 -6.469 0.467 7.700 1.00 0.00 N ATOM 300 CA LEU A 20 -5.881 -0.117 8.895 1.00 0.00 C ATOM 301 C LEU A 20 -5.238 -1.451 8.559 1.00 0.00 C ATOM 302 O LEU A 20 -4.036 -1.659 8.719 1.00 0.00 O ATOM 303 CB LEU A 20 -6.989 -0.314 9.958 1.00 0.00 C ATOM 304 CG LEU A 20 -6.820 0.662 11.121 1.00 0.00 C ATOM 305 CD1 LEU A 20 -7.273 2.082 10.791 1.00 0.00 C ATOM 306 CD2 LEU A 20 -7.563 0.154 12.360 1.00 0.00 C ATOM 0 H LEU A 20 -7.446 0.730 7.827 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.113 0.549 9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.967 -0.170 9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.960 -1.337 10.332 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.750 0.710 11.323 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.125 2.722 11.661 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.688 2.465 9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.329 2.074 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.432 0.862 13.179 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.624 0.055 12.133 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.162 -0.817 12.652 1.00 0.00 H new ATOM 318 N GLU A 21 -6.089 -2.341 8.064 1.00 0.00 N ATOM 319 CA GLU A 21 -5.803 -3.731 7.771 1.00 0.00 C ATOM 320 C GLU A 21 -4.902 -3.781 6.544 1.00 0.00 C ATOM 321 O GLU A 21 -3.949 -4.547 6.484 1.00 0.00 O ATOM 322 CB GLU A 21 -7.137 -4.422 7.461 1.00 0.00 C ATOM 323 CG GLU A 21 -8.147 -4.334 8.617 1.00 0.00 C ATOM 324 CD GLU A 21 -8.011 -5.511 9.578 1.00 0.00 C ATOM 325 OE1 GLU A 21 -8.303 -6.653 9.148 1.00 0.00 O ATOM 326 OE2 GLU A 21 -7.624 -5.304 10.742 1.00 0.00 O ATOM 0 H GLU A 21 -7.054 -2.092 7.845 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.309 -4.225 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.574 -3.971 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.950 -5.471 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.997 -3.401 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.159 -4.309 8.214 1.00 0.00 H new ATOM 333 N LEU A 22 -5.219 -2.930 5.569 1.00 0.00 N ATOM 334 CA LEU A 22 -4.612 -2.838 4.259 1.00 0.00 C ATOM 335 C LEU A 22 -3.115 -2.557 4.377 1.00 0.00 C ATOM 336 O LEU A 22 -2.306 -3.252 3.757 1.00 0.00 O ATOM 337 CB LEU A 22 -5.346 -1.702 3.530 1.00 0.00 C ATOM 338 CG LEU A 22 -5.010 -1.510 2.046 1.00 0.00 C ATOM 339 CD1 LEU A 22 -5.244 -2.743 1.173 1.00 0.00 C ATOM 340 CD2 LEU A 22 -5.848 -0.342 1.526 1.00 0.00 C ATOM 0 H LEU A 22 -5.961 -2.241 5.692 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.702 -3.773 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.418 -1.878 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.133 -0.769 4.051 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.940 -1.315 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.980 -2.513 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.625 -3.566 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.294 -3.030 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.631 -0.180 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.907 -0.571 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.605 0.559 2.089 1.00 0.00 H new ATOM 352 N GLU A 23 -2.771 -1.538 5.168 1.00 0.00 N ATOM 353 CA GLU A 23 -1.417 -1.137 5.501 1.00 0.00 C ATOM 354 C GLU A 23 -0.776 -2.180 6.417 1.00 0.00 C ATOM 355 O GLU A 23 0.355 -2.596 6.149 1.00 0.00 O ATOM 356 CB GLU A 23 -1.413 0.265 6.149 1.00 0.00 C ATOM 357 CG GLU A 23 -1.808 1.357 5.136 1.00 0.00 C ATOM 358 CD GLU A 23 -1.673 2.787 5.680 1.00 0.00 C ATOM 359 OE1 GLU A 23 -2.587 3.319 6.346 1.00 0.00 O ATOM 360 OE2 GLU A 23 -0.660 3.451 5.351 1.00 0.00 O ATOM 0 H GLU A 23 -3.471 -0.945 5.613 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.825 -1.078 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.106 0.280 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.422 0.479 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.186 1.257 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.839 1.193 4.823 1.00 0.00 H new ATOM 367 N LYS A 24 -1.469 -2.628 7.470 1.00 0.00 N ATOM 368 CA LYS A 24 -0.926 -3.573 8.448 1.00 0.00 C ATOM 369 C LYS A 24 -0.453 -4.851 7.766 1.00 0.00 C ATOM 370 O LYS A 24 0.661 -5.318 8.013 1.00 0.00 O ATOM 371 CB LYS A 24 -1.997 -3.858 9.510 1.00 0.00 C ATOM 372 CG LYS A 24 -1.594 -4.942 10.514 1.00 0.00 C ATOM 373 CD LYS A 24 -2.686 -5.119 11.580 1.00 0.00 C ATOM 374 CE LYS A 24 -2.815 -6.589 11.989 1.00 0.00 C ATOM 375 NZ LYS A 24 -3.642 -7.357 11.036 1.00 0.00 N ATOM 0 H LYS A 24 -2.428 -2.342 7.667 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.054 -3.137 8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.214 -2.937 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.918 -4.160 9.012 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.429 -5.885 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.652 -4.672 10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.448 -4.513 12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.640 -4.760 11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.823 -7.037 12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.256 -6.651 12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.888 -8.277 11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.513 -6.828 10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.109 -7.507 10.156 1.00 0.00 H new ATOM 389 N GLU A 25 -1.265 -5.399 6.871 1.00 0.00 N ATOM 390 CA GLU A 25 -0.943 -6.635 6.186 1.00 0.00 C ATOM 391 C GLU A 25 0.200 -6.469 5.193 1.00 0.00 C ATOM 392 O GLU A 25 0.740 -7.479 4.747 1.00 0.00 O ATOM 393 CB GLU A 25 -2.191 -7.165 5.470 1.00 0.00 C ATOM 394 CG GLU A 25 -2.789 -8.381 6.174 1.00 0.00 C ATOM 395 CD GLU A 25 -3.273 -8.162 7.612 1.00 0.00 C ATOM 396 OE1 GLU A 25 -2.498 -7.736 8.497 1.00 0.00 O ATOM 397 OE2 GLU A 25 -4.393 -8.623 7.918 1.00 0.00 O ATOM 0 H GLU A 25 -2.163 -4.996 6.603 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.611 -7.351 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.940 -6.375 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.934 -7.431 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.630 -8.741 5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.041 -9.174 6.181 1.00 0.00 H new ATOM 404 N PHE A 26 0.588 -5.240 4.846 1.00 0.00 N ATOM 405 CA PHE A 26 1.753 -4.973 4.014 1.00 0.00 C ATOM 406 C PHE A 26 3.061 -5.013 4.813 1.00 0.00 C ATOM 407 O PHE A 26 4.144 -4.914 4.224 1.00 0.00 O ATOM 408 CB PHE A 26 1.582 -3.623 3.303 1.00 0.00 C ATOM 409 CG PHE A 26 1.818 -3.734 1.815 1.00 0.00 C ATOM 410 CD1 PHE A 26 0.754 -4.107 0.976 1.00 0.00 C ATOM 411 CD2 PHE A 26 3.101 -3.530 1.273 1.00 0.00 C ATOM 412 CE1 PHE A 26 0.966 -4.264 -0.404 1.00 0.00 C ATOM 413 CE2 PHE A 26 3.301 -3.658 -0.114 1.00 0.00 C ATOM 414 CZ PHE A 26 2.239 -4.032 -0.951 1.00 0.00 C ATOM 0 H PHE A 26 0.095 -4.397 5.140 1.00 0.00 H new ATOM 0 HA PHE A 26 1.822 -5.766 3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.576 -3.243 3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.277 -2.899 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.228 -4.273 1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.928 -3.276 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.150 -4.563 -1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.277 -3.467 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.400 -4.141 -2.013 1.00 0.00 H new ATOM 424 N HIS A 27 2.975 -5.114 6.143 1.00 0.00 N ATOM 425 CA HIS A 27 4.111 -5.018 7.036 1.00 0.00 C ATOM 426 C HIS A 27 4.843 -6.363 7.122 1.00 0.00 C ATOM 427 O HIS A 27 6.073 -6.385 7.022 1.00 0.00 O ATOM 428 CB HIS A 27 3.631 -4.500 8.403 1.00 0.00 C ATOM 429 CG HIS A 27 4.637 -3.597 9.059 1.00 0.00 C ATOM 430 ND1 HIS A 27 5.857 -3.966 9.574 1.00 0.00 N ATOM 431 CD2 HIS A 27 4.526 -2.239 9.175 1.00 0.00 C ATOM 432 CE1 HIS A 27 6.495 -2.848 9.955 1.00 0.00 C ATOM 433 NE2 HIS A 27 5.736 -1.763 9.700 1.00 0.00 N ATOM 0 H HIS A 27 2.091 -5.268 6.629 1.00 0.00 H new ATOM 0 HA HIS A 27 4.839 -4.305 6.650 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.692 -3.961 8.275 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.426 -5.347 9.058 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.665 -1.643 8.911 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.478 -2.821 10.403 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.992 -0.788 9.858 1.00 0.00 H new ATOM 441 N CYS A 28 4.126 -7.488 7.253 1.00 0.00 N ATOM 442 CA CYS A 28 4.731 -8.809 7.443 1.00 0.00 C ATOM 443 C CYS A 28 5.078 -9.453 6.099 1.00 0.00 C ATOM 444 O CYS A 28 5.929 -10.339 6.009 1.00 0.00 O ATOM 445 CB CYS A 28 3.737 -9.676 8.224 1.00 0.00 C ATOM 446 SG CYS A 28 3.594 -9.022 9.909 1.00 0.00 S ATOM 0 H CYS A 28 3.106 -7.505 7.230 1.00 0.00 H new ATOM 0 HA CYS A 28 5.663 -8.714 8.000 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.764 -9.671 7.733 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.076 -10.712 8.248 1.00 0.00 H new ATOM 0 HG CYS A 28 2.752 -9.745 10.585 1.00 0.00 H new ATOM 452 N LYS A 29 4.429 -8.989 5.037 1.00 0.00 N ATOM 453 CA LYS A 29 4.581 -9.456 3.680 1.00 0.00 C ATOM 454 C LYS A 29 4.331 -8.261 2.790 1.00 0.00 C ATOM 455 O LYS A 29 3.220 -7.731 2.747 1.00 0.00 O ATOM 456 CB LYS A 29 3.622 -10.619 3.387 1.00 0.00 C ATOM 457 CG LYS A 29 2.226 -10.484 4.021 1.00 0.00 C ATOM 458 CD LYS A 29 1.131 -11.180 3.215 1.00 0.00 C ATOM 459 CE LYS A 29 0.024 -10.225 2.793 1.00 0.00 C ATOM 460 NZ LYS A 29 -0.954 -9.922 3.857 1.00 0.00 N ATOM 0 H LYS A 29 3.747 -8.235 5.113 1.00 0.00 H new ATOM 0 HA LYS A 29 5.580 -9.854 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.507 -10.713 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.078 -11.544 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.249 -10.902 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.979 -9.427 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.571 -11.636 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.703 -11.987 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.474 -9.292 2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.504 -10.653 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.864 -9.659 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.084 -10.761 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.604 -9.132 4.436 1.00 0.00 H new ATOM 474 N LYS A 30 5.366 -7.814 2.090 1.00 0.00 N ATOM 475 CA LYS A 30 5.308 -6.666 1.181 1.00 0.00 C ATOM 476 C LYS A 30 4.684 -7.060 -0.171 1.00 0.00 C ATOM 477 O LYS A 30 4.920 -6.391 -1.176 1.00 0.00 O ATOM 478 CB LYS A 30 6.738 -6.096 1.082 1.00 0.00 C ATOM 479 CG LYS A 30 6.830 -4.613 0.702 1.00 0.00 C ATOM 480 CD LYS A 30 7.202 -4.321 -0.762 1.00 0.00 C ATOM 481 CE LYS A 30 8.592 -3.693 -0.864 1.00 0.00 C ATOM 482 NZ LYS A 30 9.670 -4.662 -0.586 1.00 0.00 N ATOM 0 H LYS A 30 6.289 -8.245 2.136 1.00 0.00 H new ATOM 0 HA LYS A 30 4.651 -5.882 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.235 -6.239 2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.293 -6.677 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.870 -4.142 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.568 -4.137 1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.175 -5.246 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.464 -3.650 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.728 -3.279 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.664 -2.862 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.592 -4.188 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.558 -5.039 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.620 -5.443 -1.271 1.00 0.00 H new ATOM 496 N TYR A 31 3.978 -8.185 -0.228 1.00 0.00 N ATOM 497 CA TYR A 31 3.456 -8.861 -1.404 1.00 0.00 C ATOM 498 C TYR A 31 2.149 -9.544 -0.989 1.00 0.00 C ATOM 499 O TYR A 31 2.056 -10.088 0.116 1.00 0.00 O ATOM 500 CB TYR A 31 4.493 -9.891 -1.898 1.00 0.00 C ATOM 501 CG TYR A 31 5.084 -10.759 -0.792 1.00 0.00 C ATOM 502 CD1 TYR A 31 6.134 -10.255 0.004 1.00 0.00 C ATOM 503 CD2 TYR A 31 4.546 -12.030 -0.507 1.00 0.00 C ATOM 504 CE1 TYR A 31 6.624 -10.996 1.090 1.00 0.00 C ATOM 505 CE2 TYR A 31 5.042 -12.784 0.574 1.00 0.00 C ATOM 506 CZ TYR A 31 6.081 -12.261 1.377 1.00 0.00 C ATOM 507 OH TYR A 31 6.571 -12.947 2.444 1.00 0.00 O ATOM 0 H TYR A 31 3.737 -8.689 0.625 1.00 0.00 H new ATOM 0 HA TYR A 31 3.265 -8.164 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.023 -10.537 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.302 -9.363 -2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.564 -9.291 -0.224 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.750 -12.427 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.417 -10.596 1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.630 -13.759 0.789 1.00 0.00 H new ATOM 0 HH TYR A 31 6.103 -13.804 2.525 1.00 0.00 H new ATOM 517 N LEU A 32 1.158 -9.532 -1.881 1.00 0.00 N ATOM 518 CA LEU A 32 -0.132 -10.192 -1.753 1.00 0.00 C ATOM 519 C LEU A 32 -0.233 -11.313 -2.789 1.00 0.00 C ATOM 520 O LEU A 32 -0.429 -11.033 -3.977 1.00 0.00 O ATOM 521 CB LEU A 32 -1.287 -9.185 -1.947 1.00 0.00 C ATOM 522 CG LEU A 32 -1.291 -7.968 -1.008 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.507 -7.092 -1.281 1.00 0.00 C ATOM 524 CD2 LEU A 32 -1.325 -8.394 0.448 1.00 0.00 C ATOM 0 H LEU A 32 1.245 -9.029 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.214 -10.612 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.258 -8.824 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.230 -9.717 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.374 -7.410 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.496 -6.234 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.480 -6.744 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.416 -7.670 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.327 -7.510 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.226 -8.979 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.447 -9.000 0.670 1.00 0.00 H new ATOM 536 N SER A 33 -0.111 -12.568 -2.361 1.00 0.00 N ATOM 537 CA SER A 33 -0.475 -13.744 -3.135 1.00 0.00 C ATOM 538 C SER A 33 -1.995 -13.789 -3.298 1.00 0.00 C ATOM 539 O SER A 33 -2.691 -14.212 -2.378 1.00 0.00 O ATOM 540 CB SER A 33 0.014 -15.018 -2.432 1.00 0.00 C ATOM 541 OG SER A 33 1.416 -15.181 -2.542 1.00 0.00 O ATOM 0 H SER A 33 0.256 -12.797 -1.437 1.00 0.00 H new ATOM 0 HA SER A 33 -0.003 -13.688 -4.116 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.265 -14.980 -1.379 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.486 -15.885 -2.864 1.00 0.00 H new ATOM 0 HG SER A 33 1.687 -16.002 -2.080 1.00 0.00 H new ATOM 547 N LEU A 34 -2.499 -13.297 -4.433 1.00 0.00 N ATOM 548 CA LEU A 34 -3.835 -13.463 -5.009 1.00 0.00 C ATOM 549 C LEU A 34 -4.993 -13.335 -4.017 1.00 0.00 C ATOM 550 O LEU A 34 -5.594 -12.266 -3.936 1.00 0.00 O ATOM 551 CB LEU A 34 -3.926 -14.705 -5.917 1.00 0.00 C ATOM 552 CG LEU A 34 -4.743 -14.480 -7.204 1.00 0.00 C ATOM 553 CD1 LEU A 34 -6.111 -13.827 -6.962 1.00 0.00 C ATOM 554 CD2 LEU A 34 -3.939 -13.651 -8.217 1.00 0.00 C ATOM 0 H LEU A 34 -1.919 -12.711 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.973 -12.595 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.918 -15.019 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.374 -15.523 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.940 -15.473 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.627 -13.701 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.707 -14.463 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.971 -12.853 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.533 -13.503 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.693 -12.683 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.019 -14.178 -8.471 1.00 0.00 H new ATOM 566 N THR A 35 -5.303 -14.383 -3.250 1.00 0.00 N ATOM 567 CA THR A 35 -6.332 -14.351 -2.216 1.00 0.00 C ATOM 568 C THR A 35 -6.083 -13.205 -1.228 1.00 0.00 C ATOM 569 O THR A 35 -7.034 -12.564 -0.783 1.00 0.00 O ATOM 570 CB THR A 35 -6.364 -15.690 -1.471 1.00 0.00 C ATOM 571 OG1 THR A 35 -6.569 -16.769 -2.361 1.00 0.00 O ATOM 572 CG2 THR A 35 -7.480 -15.746 -0.427 1.00 0.00 C ATOM 0 H THR A 35 -4.839 -15.287 -3.333 1.00 0.00 H new ATOM 0 HA THR A 35 -7.296 -14.182 -2.696 1.00 0.00 H new ATOM 0 HB THR A 35 -5.395 -15.774 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.583 -17.610 -1.858 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.462 -16.714 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.331 -14.955 0.308 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.444 -15.609 -0.917 1.00 0.00 H new ATOM 580 N GLU A 36 -4.826 -12.878 -0.929 1.00 0.00 N ATOM 581 CA GLU A 36 -4.456 -11.832 0.011 1.00 0.00 C ATOM 582 C GLU A 36 -4.795 -10.457 -0.563 1.00 0.00 C ATOM 583 O GLU A 36 -4.847 -9.476 0.179 1.00 0.00 O ATOM 584 CB GLU A 36 -2.955 -11.954 0.326 1.00 0.00 C ATOM 585 CG GLU A 36 -2.606 -13.255 1.061 1.00 0.00 C ATOM 586 CD GLU A 36 -3.391 -13.359 2.365 1.00 0.00 C ATOM 587 OE1 GLU A 36 -3.057 -12.612 3.312 1.00 0.00 O ATOM 588 OE2 GLU A 36 -4.382 -14.116 2.404 1.00 0.00 O ATOM 0 H GLU A 36 -4.022 -13.347 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.021 -11.947 0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.388 -11.904 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.646 -11.104 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.831 -14.111 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.537 -13.286 1.270 1.00 0.00 H new ATOM 595 N ARG A 37 -5.061 -10.392 -1.874 1.00 0.00 N ATOM 596 CA ARG A 37 -5.553 -9.231 -2.594 1.00 0.00 C ATOM 597 C ARG A 37 -7.080 -9.266 -2.789 1.00 0.00 C ATOM 598 O ARG A 37 -7.631 -8.379 -3.445 1.00 0.00 O ATOM 599 CB ARG A 37 -4.837 -9.139 -3.951 1.00 0.00 C ATOM 600 CG ARG A 37 -4.750 -7.687 -4.446 1.00 0.00 C ATOM 601 CD ARG A 37 -4.409 -7.561 -5.930 1.00 0.00 C ATOM 602 NE ARG A 37 -3.038 -8.002 -6.244 1.00 0.00 N ATOM 603 CZ ARG A 37 -2.702 -8.742 -7.305 1.00 0.00 C ATOM 604 NH1 ARG A 37 -3.631 -9.228 -8.123 1.00 0.00 N ATOM 605 NH2 ARG A 37 -1.427 -9.000 -7.579 1.00 0.00 N ATOM 0 H ARG A 37 -4.928 -11.197 -2.486 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.336 -8.345 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.833 -9.555 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.369 -9.743 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.702 -7.191 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.995 -7.159 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.117 -8.151 -6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.531 -6.523 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.293 -7.723 -5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.617 -9.038 -7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.357 -9.791 -8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.691 -8.632 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.185 -9.566 -8.392 1.00 0.00 H new ATOM 619 N SER A 38 -7.768 -10.296 -2.296 1.00 0.00 N ATOM 620 CA SER A 38 -9.220 -10.375 -2.288 1.00 0.00 C ATOM 621 C SER A 38 -9.776 -10.051 -0.901 1.00 0.00 C ATOM 622 O SER A 38 -10.940 -9.667 -0.806 1.00 0.00 O ATOM 623 CB SER A 38 -9.668 -11.764 -2.772 1.00 0.00 C ATOM 624 OG SER A 38 -9.491 -12.777 -1.797 1.00 0.00 O ATOM 0 H SER A 38 -7.318 -11.113 -1.884 1.00 0.00 H new ATOM 0 HA SER A 38 -9.622 -9.630 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.719 -11.721 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.106 -12.028 -3.668 1.00 0.00 H new ATOM 0 HG SER A 38 -8.711 -12.565 -1.243 1.00 0.00 H new ATOM 630 N GLN A 39 -8.954 -10.204 0.146 1.00 0.00 N ATOM 631 CA GLN A 39 -9.407 -10.263 1.526 1.00 0.00 C ATOM 632 C GLN A 39 -9.976 -8.919 1.942 1.00 0.00 C ATOM 633 O GLN A 39 -11.149 -8.805 2.276 1.00 0.00 O ATOM 634 CB GLN A 39 -8.265 -10.663 2.476 1.00 0.00 C ATOM 635 CG GLN A 39 -7.969 -12.176 2.466 1.00 0.00 C ATOM 636 CD GLN A 39 -7.589 -12.731 3.844 1.00 0.00 C ATOM 637 OE1 GLN A 39 -7.352 -11.998 4.807 1.00 0.00 O ATOM 638 NE2 GLN A 39 -7.552 -14.040 4.002 1.00 0.00 N ATOM 0 H GLN A 39 -7.942 -10.291 0.047 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.184 -11.025 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.362 -10.121 2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.520 -10.356 3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.846 -12.708 2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.158 -12.375 1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.747 -14.655 3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.329 -14.437 4.915 1.00 0.00 H new ATOM 647 N ILE A 40 -9.162 -7.866 1.887 1.00 0.00 N ATOM 648 CA ILE A 40 -9.580 -6.539 2.319 1.00 0.00 C ATOM 649 C ILE A 40 -10.763 -6.070 1.442 1.00 0.00 C ATOM 650 O ILE A 40 -11.645 -5.358 1.931 1.00 0.00 O ATOM 651 CB ILE A 40 -8.350 -5.593 2.326 1.00 0.00 C ATOM 652 CG1 ILE A 40 -7.362 -5.886 3.489 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.811 -4.135 2.474 1.00 0.00 C ATOM 654 CD1 ILE A 40 -6.356 -7.019 3.244 1.00 0.00 C ATOM 0 H ILE A 40 -8.202 -7.910 1.544 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.954 -6.542 3.343 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.836 -5.763 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.807 -4.974 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.941 -6.127 4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.942 -3.477 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.461 -3.872 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.358 -4.020 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.718 -7.135 4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.893 -7.949 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.741 -6.778 2.377 1.00 0.00 H new ATOM 666 N ALA A 41 -10.822 -6.509 0.176 1.00 0.00 N ATOM 667 CA ALA A 41 -11.923 -6.254 -0.748 1.00 0.00 C ATOM 668 C ALA A 41 -13.226 -6.989 -0.384 1.00 0.00 C ATOM 669 O ALA A 41 -14.241 -6.740 -1.032 1.00 0.00 O ATOM 670 CB ALA A 41 -11.499 -6.602 -2.184 1.00 0.00 C ATOM 0 H ALA A 41 -10.078 -7.069 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.146 -5.190 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.328 -6.408 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.644 -5.989 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.225 -7.656 -2.237 1.00 0.00 H new ATOM 676 N HIS A 42 -13.238 -7.871 0.617 1.00 0.00 N ATOM 677 CA HIS A 42 -14.445 -8.538 1.087 1.00 0.00 C ATOM 678 C HIS A 42 -14.531 -8.641 2.618 1.00 0.00 C ATOM 679 O HIS A 42 -15.437 -9.306 3.134 1.00 0.00 O ATOM 680 CB HIS A 42 -14.602 -9.901 0.390 1.00 0.00 C ATOM 681 CG HIS A 42 -16.029 -10.127 -0.040 1.00 0.00 C ATOM 682 ND1 HIS A 42 -17.148 -9.856 0.716 1.00 0.00 N ATOM 683 CD2 HIS A 42 -16.448 -10.448 -1.303 1.00 0.00 C ATOM 684 CE1 HIS A 42 -18.217 -9.993 -0.079 1.00 0.00 C ATOM 685 NE2 HIS A 42 -17.846 -10.345 -1.325 1.00 0.00 N ATOM 0 H HIS A 42 -12.398 -8.143 1.128 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.293 -7.912 0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.945 -9.947 -0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.292 -10.697 1.067 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -17.160 -9.598 1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -15.816 -10.730 -2.132 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -19.239 -9.842 0.236 1.00 0.00 H new ATOM 693 N ALA A 43 -13.625 -7.985 3.346 1.00 0.00 N ATOM 694 CA ALA A 43 -13.585 -7.933 4.796 1.00 0.00 C ATOM 695 C ALA A 43 -13.909 -6.521 5.264 1.00 0.00 C ATOM 696 O ALA A 43 -14.737 -6.365 6.163 1.00 0.00 O ATOM 697 CB ALA A 43 -12.215 -8.387 5.308 1.00 0.00 C ATOM 0 H ALA A 43 -12.868 -7.454 2.915 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.333 -8.613 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.201 -8.342 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.026 -9.411 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.442 -7.732 4.908 1.00 0.00 H new ATOM 703 N LEU A 44 -13.295 -5.476 4.678 1.00 0.00 N ATOM 704 CA LEU A 44 -13.553 -4.139 5.195 1.00 0.00 C ATOM 705 C LEU A 44 -14.731 -3.516 4.449 1.00 0.00 C ATOM 706 O LEU A 44 -15.870 -3.788 4.808 1.00 0.00 O ATOM 707 CB LEU A 44 -12.277 -3.277 5.082 1.00 0.00 C ATOM 708 CG LEU A 44 -11.414 -3.258 6.353 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.042 -2.685 6.001 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.046 -2.369 7.424 1.00 0.00 C ATOM 0 H LEU A 44 -12.652 -5.532 3.888 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.820 -4.195 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.674 -3.648 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.564 -2.255 4.836 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.331 -4.275 6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.416 -2.665 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.571 -3.309 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.159 -1.672 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.418 -2.370 8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.136 -1.351 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.035 -2.751 7.677 1.00 0.00 H new ATOM 722 N LYS A 45 -14.496 -2.815 3.341 1.00 0.00 N ATOM 723 CA LYS A 45 -15.420 -1.920 2.635 1.00 0.00 C ATOM 724 C LYS A 45 -14.800 -1.534 1.284 1.00 0.00 C ATOM 725 O LYS A 45 -14.984 -0.412 0.812 1.00 0.00 O ATOM 726 CB LYS A 45 -15.654 -0.624 3.454 1.00 0.00 C ATOM 727 CG LYS A 45 -16.426 -0.766 4.770 1.00 0.00 C ATOM 728 CD LYS A 45 -15.658 -0.435 6.070 1.00 0.00 C ATOM 729 CE LYS A 45 -15.452 -1.584 7.073 1.00 0.00 C ATOM 730 NZ LYS A 45 -16.692 -2.297 7.444 1.00 0.00 N ATOM 0 H LYS A 45 -13.589 -2.859 2.877 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.371 -2.434 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.682 -0.183 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.189 0.085 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.303 -0.121 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.789 -1.791 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.678 -0.046 5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.188 0.369 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.748 -2.300 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.993 -1.184 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.568 -2.749 8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.481 -1.621 7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.901 -3.024 6.730 1.00 0.00 H new ATOM 744 N LEU A 46 -13.898 -2.348 0.743 1.00 0.00 N ATOM 745 CA LEU A 46 -13.169 -2.036 -0.480 1.00 0.00 C ATOM 746 C LEU A 46 -13.664 -3.007 -1.546 1.00 0.00 C ATOM 747 O LEU A 46 -14.425 -3.922 -1.239 1.00 0.00 O ATOM 748 CB LEU A 46 -11.645 -2.102 -0.251 1.00 0.00 C ATOM 749 CG LEU A 46 -11.078 -1.013 0.685 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.406 -1.306 2.149 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.559 -0.893 0.530 1.00 0.00 C ATOM 0 H LEU A 46 -13.651 -3.252 1.146 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.356 -1.014 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.397 -3.080 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.144 -2.027 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.549 -0.073 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.992 -0.519 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.488 -1.343 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.973 -2.265 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.185 -0.119 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.091 -1.846 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.318 -0.629 -0.500 1.00 0.00 H new ATOM 763 N SER A 47 -13.233 -2.821 -2.791 1.00 0.00 N ATOM 764 CA SER A 47 -13.626 -3.693 -3.895 1.00 0.00 C ATOM 765 C SER A 47 -12.434 -3.878 -4.828 1.00 0.00 C ATOM 766 O SER A 47 -11.724 -2.900 -5.072 1.00 0.00 O ATOM 767 CB SER A 47 -14.788 -3.053 -4.661 1.00 0.00 C ATOM 768 OG SER A 47 -15.831 -2.609 -3.812 1.00 0.00 O ATOM 0 H SER A 47 -12.604 -2.065 -3.062 1.00 0.00 H new ATOM 0 HA SER A 47 -13.943 -4.662 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.413 -2.209 -5.240 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.188 -3.775 -5.373 1.00 0.00 H new ATOM 0 HG SER A 47 -16.544 -2.209 -4.352 1.00 0.00 H new ATOM 774 N GLU A 48 -12.229 -5.083 -5.382 1.00 0.00 N ATOM 775 CA GLU A 48 -11.044 -5.431 -6.181 1.00 0.00 C ATOM 776 C GLU A 48 -10.721 -4.367 -7.230 1.00 0.00 C ATOM 777 O GLU A 48 -9.564 -3.978 -7.391 1.00 0.00 O ATOM 778 CB GLU A 48 -11.236 -6.740 -6.959 1.00 0.00 C ATOM 779 CG GLU A 48 -10.936 -8.050 -6.221 1.00 0.00 C ATOM 780 CD GLU A 48 -10.448 -9.133 -7.203 1.00 0.00 C ATOM 781 OE1 GLU A 48 -10.693 -9.048 -8.428 1.00 0.00 O ATOM 782 OE2 GLU A 48 -9.702 -10.047 -6.774 1.00 0.00 O ATOM 0 H GLU A 48 -12.891 -5.853 -5.286 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.238 -5.520 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.269 -6.778 -7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.604 -6.701 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.178 -7.877 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.833 -8.396 -5.707 1.00 0.00 H new ATOM 789 N VAL A 49 -11.752 -3.922 -7.952 1.00 0.00 N ATOM 790 CA VAL A 49 -11.634 -2.982 -9.054 1.00 0.00 C ATOM 791 C VAL A 49 -10.896 -1.712 -8.635 1.00 0.00 C ATOM 792 O VAL A 49 -10.092 -1.201 -9.407 1.00 0.00 O ATOM 793 CB VAL A 49 -13.024 -2.735 -9.669 1.00 0.00 C ATOM 794 CG1 VAL A 49 -13.987 -2.077 -8.678 1.00 0.00 C ATOM 795 CG2 VAL A 49 -12.941 -1.917 -10.965 1.00 0.00 C ATOM 0 H VAL A 49 -12.713 -4.216 -7.777 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.012 -3.410 -9.840 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.425 -3.718 -9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.954 -1.923 -9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.112 -2.723 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.582 -1.116 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.944 -1.766 -11.365 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.484 -0.950 -10.756 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.336 -2.454 -11.696 1.00 0.00 H new ATOM 805 N GLN A 50 -11.143 -1.235 -7.414 1.00 0.00 N ATOM 806 CA GLN A 50 -10.508 -0.073 -6.831 1.00 0.00 C ATOM 807 C GLN A 50 -9.180 -0.478 -6.176 1.00 0.00 C ATOM 808 O GLN A 50 -8.181 0.227 -6.313 1.00 0.00 O ATOM 809 CB GLN A 50 -11.492 0.548 -5.813 1.00 0.00 C ATOM 810 CG GLN A 50 -11.824 2.014 -6.109 1.00 0.00 C ATOM 811 CD GLN A 50 -10.601 2.905 -6.294 1.00 0.00 C ATOM 812 OE1 GLN A 50 -10.521 3.668 -7.251 1.00 0.00 O ATOM 813 NE2 GLN A 50 -9.624 2.814 -5.409 1.00 0.00 N ATOM 0 H GLN A 50 -11.819 -1.671 -6.787 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.273 0.670 -7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.414 -0.033 -5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -11.064 0.474 -4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.435 2.062 -7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.429 2.410 -5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.709 2.174 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.785 3.384 -5.515 1.00 0.00 H new ATOM 822 N VAL A 51 -9.145 -1.610 -5.464 1.00 0.00 N ATOM 823 CA VAL A 51 -7.956 -2.079 -4.752 1.00 0.00 C ATOM 824 C VAL A 51 -6.774 -2.199 -5.718 1.00 0.00 C ATOM 825 O VAL A 51 -5.671 -1.784 -5.369 1.00 0.00 O ATOM 826 CB VAL A 51 -8.265 -3.388 -3.988 1.00 0.00 C ATOM 827 CG1 VAL A 51 -7.014 -4.040 -3.381 1.00 0.00 C ATOM 828 CG2 VAL A 51 -9.255 -3.119 -2.844 1.00 0.00 C ATOM 0 H VAL A 51 -9.949 -2.230 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.665 -1.348 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.688 -4.070 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.297 -4.954 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.307 -4.280 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.549 -3.349 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.462 -4.050 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.823 -2.397 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.183 -2.719 -3.252 1.00 0.00 H new ATOM 838 N LYS A 52 -6.981 -2.672 -6.955 1.00 0.00 N ATOM 839 CA LYS A 52 -5.902 -2.855 -7.925 1.00 0.00 C ATOM 840 C LYS A 52 -5.098 -1.566 -8.200 1.00 0.00 C ATOM 841 O LYS A 52 -3.950 -1.636 -8.634 1.00 0.00 O ATOM 842 CB LYS A 52 -6.450 -3.542 -9.192 1.00 0.00 C ATOM 843 CG LYS A 52 -6.897 -2.547 -10.261 1.00 0.00 C ATOM 844 CD LYS A 52 -7.495 -3.210 -11.514 1.00 0.00 C ATOM 845 CE LYS A 52 -8.886 -3.792 -11.242 1.00 0.00 C ATOM 846 NZ LYS A 52 -9.441 -4.522 -12.401 1.00 0.00 N ATOM 0 H LYS A 52 -7.901 -2.937 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.159 -3.523 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.681 -4.193 -9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.293 -4.177 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.637 -1.873 -9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.043 -1.937 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.559 -2.476 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.830 -4.003 -11.858 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.831 -4.466 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.565 -2.984 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.382 -4.893 -12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.521 -3.876 -13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.811 -5.311 -12.648 1.00 0.00 H new ATOM 860 N ILE A 53 -5.656 -0.375 -7.961 1.00 0.00 N ATOM 861 CA ILE A 53 -4.959 0.898 -8.152 1.00 0.00 C ATOM 862 C ILE A 53 -4.137 1.275 -6.920 1.00 0.00 C ATOM 863 O ILE A 53 -3.182 2.039 -7.052 1.00 0.00 O ATOM 864 CB ILE A 53 -5.988 1.987 -8.502 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.699 1.636 -9.836 1.00 0.00 C ATOM 866 CG2 ILE A 53 -5.377 3.395 -8.625 1.00 0.00 C ATOM 867 CD1 ILE A 53 -8.157 1.247 -9.618 1.00 0.00 C ATOM 0 H ILE A 53 -6.614 -0.268 -7.626 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.253 0.799 -8.977 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.695 2.010 -7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.648 2.491 -10.510 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.173 0.815 -10.323 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.160 4.111 -8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.916 3.675 -7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.622 3.396 -9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.617 1.009 -10.577 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.207 0.376 -8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.690 2.078 -9.156 1.00 0.00 H new ATOM 879 N TRP A 54 -4.430 0.737 -5.736 1.00 0.00 N ATOM 880 CA TRP A 54 -3.631 1.022 -4.552 1.00 0.00 C ATOM 881 C TRP A 54 -2.180 0.594 -4.799 1.00 0.00 C ATOM 882 O TRP A 54 -1.256 1.317 -4.433 1.00 0.00 O ATOM 883 CB TRP A 54 -4.256 0.334 -3.338 1.00 0.00 C ATOM 884 CG TRP A 54 -3.744 0.781 -2.004 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.093 1.912 -1.347 1.00 0.00 C ATOM 886 CD2 TRP A 54 -2.864 0.052 -1.103 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.471 1.940 -0.113 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.723 0.803 0.101 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.226 -1.201 -1.164 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -1.991 0.333 1.201 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.549 -1.708 -0.042 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.426 -0.952 1.138 1.00 0.00 C ATOM 0 H TRP A 54 -5.213 0.104 -5.575 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.619 2.092 -4.344 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.333 0.496 -3.366 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.093 -0.740 -3.428 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.755 2.675 -1.728 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.555 2.706 0.555 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.257 -1.776 -2.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.864 0.947 2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.115 -2.696 -0.086 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.901 -1.357 1.990 1.00 0.00 H new ATOM 903 N PHE A 55 -1.963 -0.505 -5.532 1.00 0.00 N ATOM 904 CA PHE A 55 -0.615 -0.987 -5.871 1.00 0.00 C ATOM 905 C PHE A 55 0.043 -0.077 -6.906 1.00 0.00 C ATOM 906 O PHE A 55 1.251 0.170 -6.849 1.00 0.00 O ATOM 907 CB PHE A 55 -0.650 -2.419 -6.413 1.00 0.00 C ATOM 908 CG PHE A 55 -1.513 -3.323 -5.574 1.00 0.00 C ATOM 909 CD1 PHE A 55 -1.064 -3.804 -4.333 1.00 0.00 C ATOM 910 CD2 PHE A 55 -2.831 -3.558 -5.985 1.00 0.00 C ATOM 911 CE1 PHE A 55 -1.965 -4.464 -3.485 1.00 0.00 C ATOM 912 CE2 PHE A 55 -3.732 -4.204 -5.143 1.00 0.00 C ATOM 913 CZ PHE A 55 -3.314 -4.618 -3.865 1.00 0.00 C ATOM 0 H PHE A 55 -2.714 -1.085 -5.907 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.031 -0.974 -4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.024 -2.409 -7.437 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.364 -2.817 -6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.035 -3.667 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.151 -3.235 -6.964 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.625 -4.856 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.745 -4.386 -5.469 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.024 -5.052 -3.177 1.00 0.00 H new ATOM 923 N GLN A 56 -0.759 0.482 -7.818 1.00 0.00 N ATOM 924 CA GLN A 56 -0.360 1.504 -8.776 1.00 0.00 C ATOM 925 C GLN A 56 0.106 2.795 -8.072 1.00 0.00 C ATOM 926 O GLN A 56 0.699 3.655 -8.726 1.00 0.00 O ATOM 927 CB GLN A 56 -1.525 1.720 -9.762 1.00 0.00 C ATOM 928 CG GLN A 56 -1.139 2.333 -11.126 1.00 0.00 C ATOM 929 CD GLN A 56 -1.488 1.471 -12.348 1.00 0.00 C ATOM 930 OE1 GLN A 56 -0.789 1.512 -13.361 1.00 0.00 O ATOM 931 NE2 GLN A 56 -2.575 0.714 -12.322 1.00 0.00 N ATOM 0 H GLN A 56 -1.741 0.221 -7.908 1.00 0.00 H new ATOM 0 HA GLN A 56 0.510 1.175 -9.344 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.010 0.760 -9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.263 2.368 -9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.636 3.298 -11.227 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.066 2.525 -11.130 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.153 0.681 -11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.834 0.164 -13.142 1.00 0.00 H new ATOM 940 N ASN A 57 -0.054 2.905 -6.744 1.00 0.00 N ATOM 941 CA ASN A 57 0.498 3.980 -5.927 1.00 0.00 C ATOM 942 C ASN A 57 1.414 3.502 -4.817 1.00 0.00 C ATOM 943 O ASN A 57 2.282 4.281 -4.426 1.00 0.00 O ATOM 944 CB ASN A 57 -0.627 4.871 -5.374 1.00 0.00 C ATOM 945 CG ASN A 57 -1.482 5.563 -6.434 1.00 0.00 C ATOM 946 OD1 ASN A 57 -0.970 6.168 -7.375 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.797 5.508 -6.290 1.00 0.00 N ATOM 0 H ASN A 57 -0.587 2.226 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 57 1.130 4.570 -6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.277 4.262 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.185 5.632 -4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.404 5.972 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.203 5.002 -5.503 1.00 0.00 H new ATOM 954 N ARG A 58 1.354 2.252 -4.357 1.00 0.00 N ATOM 955 CA ARG A 58 2.246 1.778 -3.306 1.00 0.00 C ATOM 956 C ARG A 58 3.654 1.563 -3.851 1.00 0.00 C ATOM 957 O ARG A 58 4.043 0.463 -4.241 1.00 0.00 O ATOM 958 CB ARG A 58 1.660 0.555 -2.589 1.00 0.00 C ATOM 959 CG ARG A 58 2.413 0.283 -1.274 1.00 0.00 C ATOM 960 CD ARG A 58 1.554 -0.509 -0.283 1.00 0.00 C ATOM 961 NE ARG A 58 2.176 -0.557 1.054 1.00 0.00 N ATOM 962 CZ ARG A 58 2.118 0.403 1.987 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.301 1.438 1.812 1.00 0.00 N ATOM 964 NH2 ARG A 58 2.893 0.352 3.060 1.00 0.00 N ATOM 0 H ARG A 58 0.696 1.551 -4.698 1.00 0.00 H new ATOM 0 HA ARG A 58 2.335 2.548 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.603 0.721 -2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.724 -0.318 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.328 -0.270 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.711 1.229 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.567 -0.053 -0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.410 -1.523 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 58 2.699 -1.400 1.290 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.725 1.497 0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.251 2.173 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.543 -0.424 3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.840 1.089 3.763 1.00 0.00 H new