USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=14 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 Single : A 12 THR OG1 : rot 16:sc= 0.441 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.457 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 18 GLN : amide:sc= -2.89 K(o=-2.9,f=-4!) 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=-0.0059) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0.797) USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= 0.789 (180deg=-0.0283) 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= 0.0477 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0195 F(o=-0.62,f=-0.019) USER MOD Single : A 42 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0091) 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 50 GLN :FLIP amide:sc= -0.241 F(o=-3.2,f=-0.24) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= -0.0341 (180deg=-0.225) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.0855 X(o=0.085,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N THR A 12 -8.114 8.408 -4.289 1.00 0.00 N ATOM 180 CA THR A 12 -8.438 7.083 -3.765 1.00 0.00 C ATOM 181 C THR A 12 -9.783 7.113 -3.022 1.00 0.00 C ATOM 182 O THR A 12 -9.952 7.872 -2.071 1.00 0.00 O ATOM 183 CB THR A 12 -7.309 6.583 -2.839 1.00 0.00 C ATOM 184 OG1 THR A 12 -6.033 7.038 -3.262 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.301 5.059 -2.827 1.00 0.00 C ATOM 0 HA THR A 12 -8.528 6.389 -4.600 1.00 0.00 H new ATOM 0 HB THR A 12 -7.502 6.981 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.143 7.774 -3.899 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.504 4.704 -2.173 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.260 4.693 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.133 4.688 -3.838 1.00 0.00 H new ATOM 193 N ALA A 13 -10.739 6.267 -3.410 1.00 0.00 N ATOM 194 CA ALA A 13 -12.042 6.157 -2.769 1.00 0.00 C ATOM 195 C ALA A 13 -11.988 5.089 -1.676 1.00 0.00 C ATOM 196 O ALA A 13 -12.607 4.036 -1.831 1.00 0.00 O ATOM 197 CB ALA A 13 -13.118 5.857 -3.824 1.00 0.00 C ATOM 0 H ALA A 13 -10.622 5.627 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.307 7.101 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.091 5.776 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.144 6.664 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.884 4.918 -4.326 1.00 0.00 H new ATOM 203 N PHE A 14 -11.230 5.336 -0.605 1.00 0.00 N ATOM 204 CA PHE A 14 -11.255 4.577 0.641 1.00 0.00 C ATOM 205 C PHE A 14 -11.171 5.571 1.809 1.00 0.00 C ATOM 206 O PHE A 14 -11.372 6.774 1.631 1.00 0.00 O ATOM 207 CB PHE A 14 -10.069 3.605 0.702 1.00 0.00 C ATOM 208 CG PHE A 14 -9.823 2.687 -0.472 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.842 1.886 -1.015 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.520 2.587 -0.977 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.545 0.973 -2.041 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.216 1.677 -1.995 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.225 0.847 -2.512 1.00 0.00 C ATOM 0 H PHE A 14 -10.556 6.101 -0.585 1.00 0.00 H new ATOM 0 HA PHE A 14 -12.175 3.995 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.165 4.195 0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.197 2.982 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.853 1.972 -0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.742 3.219 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.330 0.367 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.210 1.613 -2.382 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.988 0.114 -3.269 1.00 0.00 H new ATOM 223 N THR A 15 -10.871 5.069 3.004 1.00 0.00 N ATOM 224 CA THR A 15 -10.690 5.814 4.238 1.00 0.00 C ATOM 225 C THR A 15 -9.520 5.186 4.980 1.00 0.00 C ATOM 226 O THR A 15 -9.267 3.984 4.847 1.00 0.00 O ATOM 227 CB THR A 15 -11.983 5.858 5.086 1.00 0.00 C ATOM 228 OG1 THR A 15 -11.729 5.815 6.467 1.00 0.00 O ATOM 229 CG2 THR A 15 -12.996 4.774 4.724 1.00 0.00 C ATOM 0 H THR A 15 -10.740 4.067 3.140 1.00 0.00 H new ATOM 0 HA THR A 15 -10.467 6.859 4.021 1.00 0.00 H new ATOM 0 HB THR A 15 -12.426 6.822 4.838 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.577 5.847 6.957 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.875 4.870 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.290 4.885 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.546 3.792 4.872 1.00 0.00 H new ATOM 237 N SER A 16 -8.847 5.994 5.794 1.00 0.00 N ATOM 238 CA SER A 16 -7.751 5.567 6.635 1.00 0.00 C ATOM 239 C SER A 16 -8.219 4.646 7.772 1.00 0.00 C ATOM 240 O SER A 16 -7.373 4.078 8.460 1.00 0.00 O ATOM 241 CB SER A 16 -7.037 6.796 7.189 1.00 0.00 C ATOM 242 OG SER A 16 -7.083 7.909 6.306 1.00 0.00 O ATOM 0 H SER A 16 -9.060 6.987 5.884 1.00 0.00 H new ATOM 0 HA SER A 16 -7.059 4.983 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.490 7.075 8.140 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.996 6.544 7.393 1.00 0.00 H new ATOM 0 HG SER A 16 -6.613 8.668 6.711 1.00 0.00 H new ATOM 248 N GLU A 17 -9.532 4.490 7.996 1.00 0.00 N ATOM 249 CA GLU A 17 -10.049 3.474 8.921 1.00 0.00 C ATOM 250 C GLU A 17 -9.974 2.091 8.279 1.00 0.00 C ATOM 251 O GLU A 17 -9.666 1.100 8.942 1.00 0.00 O ATOM 252 CB GLU A 17 -11.513 3.772 9.274 1.00 0.00 C ATOM 253 CG GLU A 17 -11.679 4.367 10.671 1.00 0.00 C ATOM 254 CD GLU A 17 -12.892 5.297 10.713 1.00 0.00 C ATOM 255 OE1 GLU A 17 -12.798 6.424 10.180 1.00 0.00 O ATOM 256 OE2 GLU A 17 -13.952 4.889 11.246 1.00 0.00 O ATOM 0 H GLU A 17 -10.254 5.055 7.549 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.441 3.496 9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.925 4.463 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.092 2.851 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.800 3.567 11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.780 4.918 10.948 1.00 0.00 H new ATOM 263 N GLN A 18 -10.300 2.017 6.988 1.00 0.00 N ATOM 264 CA GLN A 18 -10.289 0.779 6.229 1.00 0.00 C ATOM 265 C GLN A 18 -8.841 0.375 5.953 1.00 0.00 C ATOM 266 O GLN A 18 -8.477 -0.785 6.141 1.00 0.00 O ATOM 267 CB GLN A 18 -11.084 0.982 4.928 1.00 0.00 C ATOM 268 CG GLN A 18 -12.598 0.955 5.194 1.00 0.00 C ATOM 269 CD GLN A 18 -13.441 1.405 4.001 1.00 0.00 C ATOM 270 OE1 GLN A 18 -14.379 2.175 4.165 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.182 0.939 2.792 1.00 0.00 N ATOM 0 H GLN A 18 -10.582 2.829 6.439 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.762 -0.026 6.792 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.808 1.934 4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.823 0.201 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.891 -0.057 5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.819 1.597 6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.402 0.297 2.649 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.762 1.221 2.002 1.00 0.00 H new ATOM 280 N LEU A 19 -8.008 1.334 5.543 1.00 0.00 N ATOM 281 CA LEU A 19 -6.606 1.137 5.176 1.00 0.00 C ATOM 282 C LEU A 19 -5.740 0.578 6.303 1.00 0.00 C ATOM 283 O LEU A 19 -4.603 0.230 6.012 1.00 0.00 O ATOM 284 CB LEU A 19 -6.019 2.470 4.675 1.00 0.00 C ATOM 285 CG LEU A 19 -6.027 2.626 3.147 1.00 0.00 C ATOM 286 CD1 LEU A 19 -7.382 2.346 2.490 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.643 4.066 2.782 1.00 0.00 C ATOM 0 H LEU A 19 -8.304 2.306 5.455 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.594 0.384 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.584 3.291 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.993 2.560 5.033 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.316 1.887 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.298 2.479 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.687 1.322 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.127 3.037 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.648 4.180 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.362 4.757 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.647 4.285 3.166 1.00 0.00 H new ATOM 299 N LEU A 20 -6.241 0.433 7.533 1.00 0.00 N ATOM 300 CA LEU A 20 -5.491 -0.201 8.601 1.00 0.00 C ATOM 301 C LEU A 20 -5.194 -1.648 8.245 1.00 0.00 C ATOM 302 O LEU A 20 -4.079 -2.100 8.453 1.00 0.00 O ATOM 303 CB LEU A 20 -6.296 -0.126 9.903 1.00 0.00 C ATOM 304 CG LEU A 20 -5.969 1.156 10.679 1.00 0.00 C ATOM 305 CD1 LEU A 20 -7.080 1.429 11.691 1.00 0.00 C ATOM 306 CD2 LEU A 20 -4.624 1.022 11.405 1.00 0.00 C ATOM 0 H LEU A 20 -7.171 0.751 7.807 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.544 0.321 8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.362 -0.157 9.678 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.075 -0.996 10.522 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.898 1.986 9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.852 2.340 12.245 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.028 1.551 11.167 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.154 0.591 12.384 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.411 1.942 11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.670 0.188 12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.834 0.840 10.677 1.00 0.00 H new ATOM 318 N GLU A 21 -6.170 -2.367 7.695 1.00 0.00 N ATOM 319 CA GLU A 21 -6.020 -3.782 7.367 1.00 0.00 C ATOM 320 C GLU A 21 -5.090 -3.953 6.161 1.00 0.00 C ATOM 321 O GLU A 21 -4.322 -4.912 6.075 1.00 0.00 O ATOM 322 CB GLU A 21 -7.414 -4.362 7.096 1.00 0.00 C ATOM 323 CG GLU A 21 -8.304 -4.310 8.353 1.00 0.00 C ATOM 324 CD GLU A 21 -7.927 -5.417 9.333 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.962 -5.227 10.107 1.00 0.00 O ATOM 326 OE2 GLU A 21 -8.549 -6.505 9.307 1.00 0.00 O ATOM 0 H GLU A 21 -7.087 -1.985 7.464 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.565 -4.321 8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.890 -3.805 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.320 -5.394 6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.200 -3.339 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.351 -4.413 8.067 1.00 0.00 H new ATOM 333 N LEU A 22 -5.126 -2.984 5.240 1.00 0.00 N ATOM 334 CA LEU A 22 -4.167 -2.883 4.149 1.00 0.00 C ATOM 335 C LEU A 22 -2.777 -2.699 4.747 1.00 0.00 C ATOM 336 O LEU A 22 -1.847 -3.434 4.420 1.00 0.00 O ATOM 337 CB LEU A 22 -4.535 -1.708 3.220 1.00 0.00 C ATOM 338 CG LEU A 22 -5.420 -2.145 2.046 1.00 0.00 C ATOM 339 CD1 LEU A 22 -6.130 -0.947 1.412 1.00 0.00 C ATOM 340 CD2 LEU A 22 -4.637 -2.891 0.958 1.00 0.00 C ATOM 0 H LEU A 22 -5.829 -2.245 5.236 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.183 -3.791 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.053 -0.941 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.622 -1.254 2.834 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.155 -2.831 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.750 -1.288 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.758 -0.460 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.389 -0.238 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.314 -3.176 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.856 -2.242 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.184 -3.786 1.385 1.00 0.00 H new ATOM 352 N GLU A 23 -2.627 -1.715 5.623 1.00 0.00 N ATOM 353 CA GLU A 23 -1.344 -1.356 6.198 1.00 0.00 C ATOM 354 C GLU A 23 -0.787 -2.456 7.101 1.00 0.00 C ATOM 355 O GLU A 23 0.435 -2.611 7.171 1.00 0.00 O ATOM 356 CB GLU A 23 -1.445 -0.007 6.937 1.00 0.00 C ATOM 357 CG GLU A 23 -1.360 1.109 5.885 1.00 0.00 C ATOM 358 CD GLU A 23 -1.575 2.550 6.352 1.00 0.00 C ATOM 359 OE1 GLU A 23 -2.370 2.831 7.272 1.00 0.00 O ATOM 360 OE2 GLU A 23 -0.981 3.450 5.704 1.00 0.00 O ATOM 0 H GLU A 23 -3.401 -1.140 5.956 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.633 -1.244 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.383 0.058 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.640 0.092 7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.378 1.052 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.096 0.895 5.110 1.00 0.00 H new ATOM 367 N LYS A 24 -1.645 -3.232 7.761 1.00 0.00 N ATOM 368 CA LYS A 24 -1.235 -4.313 8.644 1.00 0.00 C ATOM 369 C LYS A 24 -0.657 -5.472 7.838 1.00 0.00 C ATOM 370 O LYS A 24 0.410 -5.984 8.180 1.00 0.00 O ATOM 371 CB LYS A 24 -2.430 -4.754 9.509 1.00 0.00 C ATOM 372 CG LYS A 24 -2.006 -5.624 10.698 1.00 0.00 C ATOM 373 CD LYS A 24 -1.193 -4.831 11.733 1.00 0.00 C ATOM 374 CE LYS A 24 -0.987 -5.557 13.067 1.00 0.00 C ATOM 375 NZ LYS A 24 -2.179 -5.498 13.933 1.00 0.00 N ATOM 0 H LYS A 24 -2.657 -3.123 7.694 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.447 -3.961 9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.953 -3.871 9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.136 -5.308 8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.892 -6.041 11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.413 -6.465 10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.218 -4.595 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.696 -3.883 11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.734 -6.599 12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.140 -5.115 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.988 -6.003 14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.408 -4.505 14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.983 -5.944 13.447 1.00 0.00 H new ATOM 389 N GLU A 25 -1.317 -5.890 6.755 1.00 0.00 N ATOM 390 CA GLU A 25 -0.750 -6.914 5.881 1.00 0.00 C ATOM 391 C GLU A 25 0.561 -6.412 5.280 1.00 0.00 C ATOM 392 O GLU A 25 1.575 -7.109 5.341 1.00 0.00 O ATOM 393 CB GLU A 25 -1.760 -7.339 4.797 1.00 0.00 C ATOM 394 CG GLU A 25 -2.095 -8.836 4.803 1.00 0.00 C ATOM 395 CD GLU A 25 -2.615 -9.317 6.158 1.00 0.00 C ATOM 396 OE1 GLU A 25 -1.777 -9.704 7.009 1.00 0.00 O ATOM 397 OE2 GLU A 25 -3.845 -9.313 6.387 1.00 0.00 O ATOM 0 H GLU A 25 -2.231 -5.540 6.467 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.532 -7.805 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.681 -6.771 4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.360 -7.071 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.844 -9.040 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.204 -9.405 4.537 1.00 0.00 H new ATOM 404 N PHE A 26 0.570 -5.180 4.765 1.00 0.00 N ATOM 405 CA PHE A 26 1.724 -4.646 4.041 1.00 0.00 C ATOM 406 C PHE A 26 2.884 -4.253 4.976 1.00 0.00 C ATOM 407 O PHE A 26 3.911 -3.727 4.537 1.00 0.00 O ATOM 408 CB PHE A 26 1.304 -3.516 3.086 1.00 0.00 C ATOM 409 CG PHE A 26 1.905 -3.672 1.700 1.00 0.00 C ATOM 410 CD1 PHE A 26 3.211 -3.226 1.436 1.00 0.00 C ATOM 411 CD2 PHE A 26 1.172 -4.306 0.678 1.00 0.00 C ATOM 412 CE1 PHE A 26 3.773 -3.385 0.160 1.00 0.00 C ATOM 413 CE2 PHE A 26 1.734 -4.471 -0.601 1.00 0.00 C ATOM 414 CZ PHE A 26 3.035 -4.008 -0.863 1.00 0.00 C ATOM 0 H PHE A 26 -0.214 -4.531 4.837 1.00 0.00 H new ATOM 0 HA PHE A 26 2.122 -5.450 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.217 -3.497 3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.610 -2.558 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.786 -2.757 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.174 -4.667 0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.773 -3.029 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.165 -4.954 -1.382 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.466 -4.130 -1.846 1.00 0.00 H new ATOM 424 N HIS A 27 2.736 -4.474 6.284 1.00 0.00 N ATOM 425 CA HIS A 27 3.797 -4.372 7.271 1.00 0.00 C ATOM 426 C HIS A 27 4.500 -5.723 7.471 1.00 0.00 C ATOM 427 O HIS A 27 5.697 -5.748 7.783 1.00 0.00 O ATOM 428 CB HIS A 27 3.170 -3.859 8.568 1.00 0.00 C ATOM 429 CG HIS A 27 4.153 -3.602 9.670 1.00 0.00 C ATOM 430 ND1 HIS A 27 4.255 -4.334 10.827 1.00 0.00 N ATOM 431 CD2 HIS A 27 5.045 -2.568 9.738 1.00 0.00 C ATOM 432 CE1 HIS A 27 5.198 -3.757 11.585 1.00 0.00 C ATOM 433 NE2 HIS A 27 5.728 -2.688 10.956 1.00 0.00 N ATOM 0 H HIS A 27 1.840 -4.738 6.693 1.00 0.00 H new ATOM 0 HA HIS A 27 4.567 -3.679 6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.630 -2.936 8.356 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.435 -4.586 8.915 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.195 -1.802 8.992 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.493 -4.101 12.565 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.477 -2.086 11.299 1.00 0.00 H new ATOM 441 N CYS A 28 3.793 -6.841 7.274 1.00 0.00 N ATOM 442 CA CYS A 28 4.356 -8.183 7.368 1.00 0.00 C ATOM 443 C CYS A 28 4.985 -8.608 6.040 1.00 0.00 C ATOM 444 O CYS A 28 6.037 -9.256 6.039 1.00 0.00 O ATOM 445 CB CYS A 28 3.263 -9.175 7.777 1.00 0.00 C ATOM 446 SG CYS A 28 2.643 -8.744 9.429 1.00 0.00 S ATOM 0 H CYS A 28 2.800 -6.834 7.042 1.00 0.00 H new ATOM 0 HA CYS A 28 5.140 -8.177 8.126 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.448 -9.153 7.054 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.660 -10.190 7.779 1.00 0.00 H new ATOM 0 HG CYS A 28 1.714 -9.584 9.776 1.00 0.00 H new ATOM 452 N LYS A 29 4.357 -8.259 4.915 1.00 0.00 N ATOM 453 CA LYS A 29 4.754 -8.674 3.572 1.00 0.00 C ATOM 454 C LYS A 29 4.852 -7.452 2.671 1.00 0.00 C ATOM 455 O LYS A 29 4.121 -6.488 2.859 1.00 0.00 O ATOM 456 CB LYS A 29 3.749 -9.709 3.022 1.00 0.00 C ATOM 457 CG LYS A 29 2.262 -9.369 3.250 1.00 0.00 C ATOM 458 CD LYS A 29 1.308 -10.185 2.368 1.00 0.00 C ATOM 459 CE LYS A 29 1.358 -11.695 2.578 1.00 0.00 C ATOM 460 NZ LYS A 29 0.709 -12.127 3.834 1.00 0.00 N ATOM 0 H LYS A 29 3.531 -7.660 4.916 1.00 0.00 H new ATOM 0 HA LYS A 29 5.734 -9.150 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.919 -9.822 1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.959 -10.675 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.014 -9.542 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.106 -8.308 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.289 -9.843 2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.534 -9.972 1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.873 -12.189 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.398 -12.021 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.920 -13.131 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.070 -11.557 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.320 -11.998 3.755 1.00 0.00 H new ATOM 474 N LYS A 30 5.717 -7.493 1.657 1.00 0.00 N ATOM 475 CA LYS A 30 5.834 -6.432 0.654 1.00 0.00 C ATOM 476 C LYS A 30 4.962 -6.751 -0.563 1.00 0.00 C ATOM 477 O LYS A 30 5.353 -6.480 -1.698 1.00 0.00 O ATOM 478 CB LYS A 30 7.321 -6.229 0.302 1.00 0.00 C ATOM 479 CG LYS A 30 7.681 -4.773 -0.015 1.00 0.00 C ATOM 480 CD LYS A 30 7.149 -4.219 -1.337 1.00 0.00 C ATOM 481 CE LYS A 30 7.630 -2.790 -1.586 1.00 0.00 C ATOM 482 NZ LYS A 30 6.962 -2.230 -2.778 1.00 0.00 N ATOM 0 H LYS A 30 6.361 -8.269 1.507 1.00 0.00 H new ATOM 0 HA LYS A 30 5.463 -5.488 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.934 -6.573 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.571 -6.852 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.310 -4.144 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.767 -4.681 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.473 -4.860 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.059 -4.240 -1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.417 -2.170 -0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.711 -2.781 -1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.650 -1.689 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.576 -3.004 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.189 -1.602 -2.480 1.00 0.00 H new ATOM 496 N TYR A 31 3.836 -7.421 -0.381 1.00 0.00 N ATOM 497 CA TYR A 31 3.010 -7.928 -1.463 1.00 0.00 C ATOM 498 C TYR A 31 1.642 -8.245 -0.864 1.00 0.00 C ATOM 499 O TYR A 31 1.359 -7.856 0.264 1.00 0.00 O ATOM 500 CB TYR A 31 3.699 -9.142 -2.121 1.00 0.00 C ATOM 501 CG TYR A 31 4.009 -10.276 -1.166 1.00 0.00 C ATOM 502 CD1 TYR A 31 3.039 -11.268 -0.946 1.00 0.00 C ATOM 503 CD2 TYR A 31 5.237 -10.316 -0.471 1.00 0.00 C ATOM 504 CE1 TYR A 31 3.251 -12.271 0.006 1.00 0.00 C ATOM 505 CE2 TYR A 31 5.462 -11.334 0.476 1.00 0.00 C ATOM 506 CZ TYR A 31 4.451 -12.291 0.739 1.00 0.00 C ATOM 507 OH TYR A 31 4.551 -13.176 1.760 1.00 0.00 O ATOM 0 H TYR A 31 3.463 -7.632 0.545 1.00 0.00 H new ATOM 0 HA TYR A 31 2.876 -7.201 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.060 -9.519 -2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.627 -8.810 -2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.122 -11.256 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.997 -9.573 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.497 -13.026 0.177 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.404 -11.385 1.001 1.00 0.00 H new ATOM 0 HH TYR A 31 5.430 -13.088 2.184 1.00 0.00 H new ATOM 517 N LEU A 32 0.805 -8.950 -1.617 1.00 0.00 N ATOM 518 CA LEU A 32 -0.487 -9.499 -1.254 1.00 0.00 C ATOM 519 C LEU A 32 -0.701 -10.600 -2.279 1.00 0.00 C ATOM 520 O LEU A 32 -0.991 -10.305 -3.444 1.00 0.00 O ATOM 521 CB LEU A 32 -1.627 -8.473 -1.383 1.00 0.00 C ATOM 522 CG LEU A 32 -1.862 -7.554 -0.172 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.903 -6.518 -0.588 1.00 0.00 C ATOM 524 CD2 LEU A 32 -2.396 -8.315 1.041 1.00 0.00 C ATOM 0 H LEU A 32 1.040 -9.169 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.497 -9.829 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.426 -7.847 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.552 -9.014 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.912 -7.104 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.099 -5.844 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.528 -5.946 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.826 -7.023 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.545 -7.622 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.346 -8.785 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.679 -9.081 1.334 1.00 0.00 H new ATOM 536 N SER A 33 -0.507 -11.853 -1.879 1.00 0.00 N ATOM 537 CA SER A 33 -0.883 -12.995 -2.700 1.00 0.00 C ATOM 538 C SER A 33 -2.402 -12.958 -2.937 1.00 0.00 C ATOM 539 O SER A 33 -3.115 -12.188 -2.284 1.00 0.00 O ATOM 540 CB SER A 33 -0.367 -14.269 -2.017 1.00 0.00 C ATOM 541 OG SER A 33 1.034 -14.115 -1.834 1.00 0.00 O ATOM 0 H SER A 33 -0.088 -12.103 -0.983 1.00 0.00 H new ATOM 0 HA SER A 33 -0.428 -12.970 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.865 -14.420 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.580 -15.146 -2.629 1.00 0.00 H new ATOM 0 HG SER A 33 1.397 -14.914 -1.397 1.00 0.00 H new ATOM 547 N LEU A 34 -2.911 -13.730 -3.901 1.00 0.00 N ATOM 548 CA LEU A 34 -4.273 -13.536 -4.416 1.00 0.00 C ATOM 549 C LEU A 34 -5.304 -13.627 -3.279 1.00 0.00 C ATOM 550 O LEU A 34 -6.129 -12.727 -3.130 1.00 0.00 O ATOM 551 CB LEU A 34 -4.553 -14.528 -5.563 1.00 0.00 C ATOM 552 CG LEU A 34 -5.564 -14.077 -6.639 1.00 0.00 C ATOM 553 CD1 LEU A 34 -6.961 -13.760 -6.103 1.00 0.00 C ATOM 554 CD2 LEU A 34 -5.035 -12.895 -7.459 1.00 0.00 C ATOM 0 H LEU A 34 -2.402 -14.496 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.363 -12.533 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.608 -14.752 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.913 -15.460 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.674 -14.946 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.605 -13.452 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.379 -14.648 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.896 -12.954 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.777 -12.609 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.841 -12.051 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.110 -13.184 -7.959 1.00 0.00 H new ATOM 566 N THR A 35 -5.167 -14.639 -2.415 1.00 0.00 N ATOM 567 CA THR A 35 -6.003 -14.856 -1.238 1.00 0.00 C ATOM 568 C THR A 35 -6.111 -13.599 -0.376 1.00 0.00 C ATOM 569 O THR A 35 -7.180 -13.290 0.150 1.00 0.00 O ATOM 570 CB THR A 35 -5.371 -15.960 -0.373 1.00 0.00 C ATOM 571 OG1 THR A 35 -4.836 -17.015 -1.144 1.00 0.00 O ATOM 572 CG2 THR A 35 -6.362 -16.543 0.627 1.00 0.00 C ATOM 0 H THR A 35 -4.445 -15.352 -2.523 1.00 0.00 H new ATOM 0 HA THR A 35 -6.998 -15.132 -1.587 1.00 0.00 H new ATOM 0 HB THR A 35 -4.559 -15.470 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.445 -17.689 -0.550 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.872 -17.318 1.215 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.716 -15.754 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.208 -16.974 0.092 1.00 0.00 H new ATOM 580 N GLU A 36 -4.977 -12.926 -0.191 1.00 0.00 N ATOM 581 CA GLU A 36 -4.764 -11.897 0.804 1.00 0.00 C ATOM 582 C GLU A 36 -5.552 -10.663 0.374 1.00 0.00 C ATOM 583 O GLU A 36 -6.298 -10.075 1.148 1.00 0.00 O ATOM 584 CB GLU A 36 -3.265 -11.575 0.910 1.00 0.00 C ATOM 585 CG GLU A 36 -2.327 -12.785 1.026 1.00 0.00 C ATOM 586 CD GLU A 36 -2.257 -13.387 2.422 1.00 0.00 C ATOM 587 OE1 GLU A 36 -1.933 -12.652 3.378 1.00 0.00 O ATOM 588 OE2 GLU A 36 -2.385 -14.628 2.552 1.00 0.00 O ATOM 0 H GLU A 36 -4.149 -13.097 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.103 -12.231 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.974 -10.997 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.111 -10.935 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.656 -13.554 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.325 -12.484 0.721 1.00 0.00 H new ATOM 595 N ARG A 37 -5.409 -10.295 -0.902 1.00 0.00 N ATOM 596 CA ARG A 37 -6.059 -9.126 -1.471 1.00 0.00 C ATOM 597 C ARG A 37 -7.583 -9.257 -1.417 1.00 0.00 C ATOM 598 O ARG A 37 -8.245 -8.261 -1.127 1.00 0.00 O ATOM 599 CB ARG A 37 -5.520 -8.907 -2.889 1.00 0.00 C ATOM 600 CG ARG A 37 -6.061 -7.629 -3.553 1.00 0.00 C ATOM 601 CD ARG A 37 -7.008 -7.934 -4.716 1.00 0.00 C ATOM 602 NE ARG A 37 -6.304 -8.587 -5.837 1.00 0.00 N ATOM 603 CZ ARG A 37 -6.872 -8.919 -7.005 1.00 0.00 C ATOM 604 NH1 ARG A 37 -8.129 -8.586 -7.270 1.00 0.00 N ATOM 605 NH2 ARG A 37 -6.159 -9.579 -7.914 1.00 0.00 N ATOM 0 H ARG A 37 -4.833 -10.808 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.826 -8.240 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.432 -8.857 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.780 -9.767 -3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.585 -7.029 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.226 -7.029 -3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.815 -8.579 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.467 -7.008 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.314 -8.801 -5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.676 -8.071 -6.581 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.548 -8.845 -8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.189 -9.828 -7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.582 -9.836 -8.806 1.00 0.00 H new ATOM 619 N SER A 38 -8.135 -10.446 -1.674 1.00 0.00 N ATOM 620 CA SER A 38 -9.570 -10.665 -1.552 1.00 0.00 C ATOM 621 C SER A 38 -10.088 -10.378 -0.146 1.00 0.00 C ATOM 622 O SER A 38 -11.209 -9.891 -0.040 1.00 0.00 O ATOM 623 CB SER A 38 -9.929 -12.097 -1.949 1.00 0.00 C ATOM 624 OG SER A 38 -9.942 -12.205 -3.357 1.00 0.00 O ATOM 0 H SER A 38 -7.607 -11.268 -1.967 1.00 0.00 H new ATOM 0 HA SER A 38 -10.053 -9.962 -2.231 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.206 -12.795 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.905 -12.364 -1.544 1.00 0.00 H new ATOM 0 HG SER A 38 -10.170 -13.123 -3.613 1.00 0.00 H new ATOM 630 N GLN A 39 -9.312 -10.655 0.907 1.00 0.00 N ATOM 631 CA GLN A 39 -9.758 -10.478 2.287 1.00 0.00 C ATOM 632 C GLN A 39 -10.070 -9.001 2.494 1.00 0.00 C ATOM 633 O GLN A 39 -11.224 -8.637 2.692 1.00 0.00 O ATOM 634 CB GLN A 39 -8.692 -10.998 3.267 1.00 0.00 C ATOM 635 CG GLN A 39 -8.548 -12.523 3.124 1.00 0.00 C ATOM 636 CD GLN A 39 -7.249 -13.153 3.621 1.00 0.00 C ATOM 637 OE1 GLN A 39 -6.268 -12.404 4.103 1.00 0.00 O flip ATOM 638 NE2 GLN A 39 -7.122 -14.376 3.549 1.00 0.00 N flip ATOM 0 H GLN A 39 -8.359 -11.008 0.824 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.660 -11.058 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.736 -10.514 3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.971 -10.745 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.376 -12.991 3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.664 -12.775 2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.881 -14.947 3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.258 -14.818 3.861 1.00 0.00 H new ATOM 647 N ILE A 40 -9.062 -8.146 2.326 1.00 0.00 N ATOM 648 CA ILE A 40 -9.218 -6.693 2.330 1.00 0.00 C ATOM 649 C ILE A 40 -10.421 -6.275 1.470 1.00 0.00 C ATOM 650 O ILE A 40 -11.294 -5.535 1.933 1.00 0.00 O ATOM 651 CB ILE A 40 -7.893 -6.018 1.884 1.00 0.00 C ATOM 652 CG1 ILE A 40 -6.801 -6.014 2.985 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.122 -4.578 1.402 1.00 0.00 C ATOM 654 CD1 ILE A 40 -5.914 -7.266 2.971 1.00 0.00 C ATOM 0 H ILE A 40 -8.099 -8.449 2.181 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.429 -6.350 3.343 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.532 -6.630 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.173 -5.132 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.280 -5.928 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.171 -4.140 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.806 -4.583 0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.552 -3.987 2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.173 -7.196 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.531 -8.151 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.407 -7.342 2.009 1.00 0.00 H new ATOM 666 N ALA A 41 -10.450 -6.713 0.205 1.00 0.00 N ATOM 667 CA ALA A 41 -11.435 -6.259 -0.760 1.00 0.00 C ATOM 668 C ALA A 41 -12.864 -6.658 -0.378 1.00 0.00 C ATOM 669 O ALA A 41 -13.804 -6.039 -0.883 1.00 0.00 O ATOM 670 CB ALA A 41 -11.063 -6.770 -2.152 1.00 0.00 C ATOM 0 H ALA A 41 -9.787 -7.392 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.422 -5.169 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.804 -6.428 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.081 -6.387 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.039 -7.860 -2.145 1.00 0.00 H new ATOM 676 N HIS A 42 -13.056 -7.640 0.506 1.00 0.00 N ATOM 677 CA HIS A 42 -14.344 -8.268 0.758 1.00 0.00 C ATOM 678 C HIS A 42 -14.728 -8.287 2.236 1.00 0.00 C ATOM 679 O HIS A 42 -15.823 -8.750 2.560 1.00 0.00 O ATOM 680 CB HIS A 42 -14.308 -9.684 0.167 1.00 0.00 C ATOM 681 CG HIS A 42 -15.654 -10.247 -0.195 1.00 0.00 C ATOM 682 ND1 HIS A 42 -16.052 -11.554 -0.050 1.00 0.00 N ATOM 683 CD2 HIS A 42 -16.639 -9.579 -0.866 1.00 0.00 C ATOM 684 CE1 HIS A 42 -17.242 -11.678 -0.657 1.00 0.00 C ATOM 685 NE2 HIS A 42 -17.640 -10.503 -1.181 1.00 0.00 N ATOM 0 H HIS A 42 -12.302 -8.025 1.075 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.120 -7.674 0.275 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.681 -9.675 -0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.831 -10.351 0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -16.644 -8.527 -1.109 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.806 -12.597 -0.717 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -18.498 -10.323 -1.702 1.00 0.00 H new ATOM 693 N ALA A 43 -13.875 -7.790 3.135 1.00 0.00 N ATOM 694 CA ALA A 43 -14.074 -7.879 4.570 1.00 0.00 C ATOM 695 C ALA A 43 -14.322 -6.508 5.169 1.00 0.00 C ATOM 696 O ALA A 43 -14.759 -6.450 6.321 1.00 0.00 O ATOM 697 CB ALA A 43 -12.863 -8.541 5.233 1.00 0.00 C ATOM 0 H ALA A 43 -13.015 -7.308 2.874 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.955 -8.493 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.025 -8.602 6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.730 -9.545 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.970 -7.949 5.033 1.00 0.00 H new ATOM 703 N LEU A 44 -14.085 -5.408 4.438 1.00 0.00 N ATOM 704 CA LEU A 44 -14.400 -4.099 4.991 1.00 0.00 C ATOM 705 C LEU A 44 -15.534 -3.445 4.208 1.00 0.00 C ATOM 706 O LEU A 44 -16.686 -3.747 4.492 1.00 0.00 O ATOM 707 CB LEU A 44 -13.118 -3.243 4.968 1.00 0.00 C ATOM 708 CG LEU A 44 -12.107 -3.498 6.100 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.727 -3.044 5.608 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.479 -2.721 7.374 1.00 0.00 C ATOM 0 H LEU A 44 -13.691 -5.403 3.497 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.745 -4.195 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.614 -3.408 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.407 -2.193 4.998 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.108 -4.559 6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.988 -3.213 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.452 -3.613 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.759 -1.983 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.744 -2.925 8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.492 -1.653 7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.465 -3.034 7.716 1.00 0.00 H new ATOM 722 N LYS A 45 -15.214 -2.678 3.160 1.00 0.00 N ATOM 723 CA LYS A 45 -16.043 -1.765 2.366 1.00 0.00 C ATOM 724 C LYS A 45 -15.234 -1.296 1.148 1.00 0.00 C ATOM 725 O LYS A 45 -15.257 -0.108 0.817 1.00 0.00 O ATOM 726 CB LYS A 45 -16.502 -0.519 3.171 1.00 0.00 C ATOM 727 CG LYS A 45 -17.316 -0.764 4.441 1.00 0.00 C ATOM 728 CD LYS A 45 -16.496 -0.743 5.742 1.00 0.00 C ATOM 729 CE LYS A 45 -16.245 0.683 6.237 1.00 0.00 C ATOM 730 NZ LYS A 45 -17.381 1.210 7.010 1.00 0.00 N ATOM 0 H LYS A 45 -14.257 -2.683 2.808 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.938 -2.310 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.614 0.051 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.094 0.111 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -18.097 -0.007 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.814 -1.730 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.023 -1.307 6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.542 -1.243 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.348 0.699 6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.055 1.334 5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.167 2.178 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.232 1.220 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.547 0.605 7.839 1.00 0.00 H new ATOM 744 N LEU A 46 -14.369 -2.150 0.594 1.00 0.00 N ATOM 745 CA LEU A 46 -13.528 -1.787 -0.548 1.00 0.00 C ATOM 746 C LEU A 46 -14.087 -2.442 -1.808 1.00 0.00 C ATOM 747 O LEU A 46 -14.894 -3.369 -1.740 1.00 0.00 O ATOM 748 CB LEU A 46 -12.055 -2.180 -0.331 1.00 0.00 C ATOM 749 CG LEU A 46 -11.303 -1.340 0.718 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.555 -1.875 2.126 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.798 -1.393 0.472 1.00 0.00 C ATOM 0 H LEU A 46 -14.233 -3.106 0.922 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.546 -0.703 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.015 -3.227 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.530 -2.100 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.669 -0.317 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.013 -1.265 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.622 -1.835 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.210 -2.907 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.285 -0.793 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.455 -2.426 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.577 -0.998 -0.520 1.00 0.00 H new ATOM 763 N SER A 47 -13.611 -1.988 -2.964 1.00 0.00 N ATOM 764 CA SER A 47 -14.088 -2.390 -4.273 1.00 0.00 C ATOM 765 C SER A 47 -12.882 -2.962 -5.017 1.00 0.00 C ATOM 766 O SER A 47 -11.897 -2.246 -5.209 1.00 0.00 O ATOM 767 CB SER A 47 -14.687 -1.148 -4.961 1.00 0.00 C ATOM 768 OG SER A 47 -15.915 -1.427 -5.605 1.00 0.00 O ATOM 0 H SER A 47 -12.855 -1.305 -3.011 1.00 0.00 H new ATOM 0 HA SER A 47 -14.869 -3.149 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.839 -0.363 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.976 -0.763 -5.692 1.00 0.00 H new ATOM 0 HG SER A 47 -16.257 -0.610 -6.025 1.00 0.00 H new ATOM 774 N GLU A 48 -12.944 -4.232 -5.419 1.00 0.00 N ATOM 775 CA GLU A 48 -11.861 -4.999 -6.047 1.00 0.00 C ATOM 776 C GLU A 48 -11.121 -4.215 -7.145 1.00 0.00 C ATOM 777 O GLU A 48 -9.896 -4.291 -7.234 1.00 0.00 O ATOM 778 CB GLU A 48 -12.453 -6.286 -6.657 1.00 0.00 C ATOM 779 CG GLU A 48 -12.403 -7.538 -5.771 1.00 0.00 C ATOM 780 CD GLU A 48 -11.146 -8.364 -6.057 1.00 0.00 C ATOM 781 OE1 GLU A 48 -11.149 -9.146 -7.030 1.00 0.00 O ATOM 782 OE2 GLU A 48 -10.125 -8.226 -5.342 1.00 0.00 O ATOM 0 H GLU A 48 -13.794 -4.785 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.130 -5.224 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.493 -6.094 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.923 -6.501 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.419 -7.246 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.290 -8.147 -5.946 1.00 0.00 H new ATOM 789 N VAL A 49 -11.824 -3.467 -8.001 1.00 0.00 N ATOM 790 CA VAL A 49 -11.196 -2.726 -9.097 1.00 0.00 C ATOM 791 C VAL A 49 -10.373 -1.551 -8.561 1.00 0.00 C ATOM 792 O VAL A 49 -9.308 -1.263 -9.108 1.00 0.00 O ATOM 793 CB VAL A 49 -12.278 -2.298 -10.106 1.00 0.00 C ATOM 794 CG1 VAL A 49 -11.740 -1.367 -11.195 1.00 0.00 C ATOM 795 CG2 VAL A 49 -12.907 -3.526 -10.776 1.00 0.00 C ATOM 0 H VAL A 49 -12.837 -3.359 -7.954 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.490 -3.367 -9.624 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.027 -1.751 -9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.548 -1.099 -11.876 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.338 -0.464 -10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -10.950 -1.874 -11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.669 -3.203 -11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.136 -4.088 -11.303 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.364 -4.161 -10.017 1.00 0.00 H new ATOM 805 N GLN A 50 -10.835 -0.880 -7.505 1.00 0.00 N ATOM 806 CA GLN A 50 -10.121 0.204 -6.847 1.00 0.00 C ATOM 807 C GLN A 50 -8.895 -0.343 -6.113 1.00 0.00 C ATOM 808 O GLN A 50 -7.810 0.236 -6.167 1.00 0.00 O ATOM 809 CB GLN A 50 -11.094 0.925 -5.899 1.00 0.00 C ATOM 810 CG GLN A 50 -11.023 2.443 -6.069 1.00 0.00 C ATOM 811 CD GLN A 50 -9.711 3.046 -5.578 1.00 0.00 C ATOM 812 OE1 GLN A 50 -9.616 3.251 -4.281 1.00 0.00 O flip ATOM 813 NE2 GLN A 50 -8.765 3.314 -6.318 1.00 0.00 N flip ATOM 0 H GLN A 50 -11.738 -1.084 -7.077 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.755 0.924 -7.579 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.111 0.584 -6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.860 0.662 -4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.156 2.690 -7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.850 2.901 -5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.842 3.154 -7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.904 3.696 -5.927 1.00 0.00 H new ATOM 822 N VAL A 51 -9.057 -1.488 -5.453 1.00 0.00 N ATOM 823 CA VAL A 51 -7.987 -2.194 -4.752 1.00 0.00 C ATOM 824 C VAL A 51 -6.871 -2.522 -5.749 1.00 0.00 C ATOM 825 O VAL A 51 -5.687 -2.358 -5.449 1.00 0.00 O ATOM 826 CB VAL A 51 -8.585 -3.443 -4.067 1.00 0.00 C ATOM 827 CG1 VAL A 51 -7.531 -4.389 -3.489 1.00 0.00 C ATOM 828 CG2 VAL A 51 -9.518 -3.028 -2.920 1.00 0.00 C ATOM 0 H VAL A 51 -9.958 -1.962 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.542 -1.580 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.125 -3.973 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.024 -5.243 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.878 -4.738 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.939 -3.861 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.932 -3.919 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.956 -2.454 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.330 -2.416 -3.314 1.00 0.00 H new ATOM 838 N LYS A 52 -7.237 -2.896 -6.978 1.00 0.00 N ATOM 839 CA LYS A 52 -6.303 -3.139 -8.070 1.00 0.00 C ATOM 840 C LYS A 52 -5.368 -1.952 -8.348 1.00 0.00 C ATOM 841 O LYS A 52 -4.274 -2.184 -8.855 1.00 0.00 O ATOM 842 CB LYS A 52 -7.101 -3.495 -9.338 1.00 0.00 C ATOM 843 CG LYS A 52 -6.638 -4.808 -9.972 1.00 0.00 C ATOM 844 CD LYS A 52 -7.344 -5.065 -11.312 1.00 0.00 C ATOM 845 CE LYS A 52 -6.874 -4.137 -12.438 1.00 0.00 C ATOM 846 NZ LYS A 52 -5.423 -4.246 -12.705 1.00 0.00 N ATOM 0 H LYS A 52 -8.212 -3.040 -7.242 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.660 -3.967 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.159 -3.569 -9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.001 -2.689 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.560 -4.778 -10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.839 -5.634 -9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.175 -6.100 -11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.419 -4.944 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.425 -4.371 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.114 -3.106 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.202 -3.788 -13.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.894 -3.777 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.152 -5.249 -12.748 1.00 0.00 H new ATOM 860 N ILE A 53 -5.770 -0.712 -8.048 1.00 0.00 N ATOM 861 CA ILE A 53 -5.052 0.499 -8.452 1.00 0.00 C ATOM 862 C ILE A 53 -4.259 1.073 -7.269 1.00 0.00 C ATOM 863 O ILE A 53 -3.285 1.797 -7.475 1.00 0.00 O ATOM 864 CB ILE A 53 -6.050 1.524 -9.035 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.852 0.947 -10.227 1.00 0.00 C ATOM 866 CG2 ILE A 53 -5.344 2.796 -9.541 1.00 0.00 C ATOM 867 CD1 ILE A 53 -8.269 1.521 -10.287 1.00 0.00 C ATOM 0 H ILE A 53 -6.615 -0.520 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.330 0.254 -9.231 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.721 1.765 -8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.330 1.168 -11.158 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.902 -0.138 -10.140 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.084 3.488 -9.942 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.814 3.271 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.634 2.531 -10.324 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.800 1.092 -11.137 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.800 1.277 -9.367 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.218 2.604 -10.400 1.00 0.00 H new ATOM 879 N TRP A 54 -4.591 0.729 -6.022 1.00 0.00 N ATOM 880 CA TRP A 54 -3.777 1.118 -4.867 1.00 0.00 C ATOM 881 C TRP A 54 -2.350 0.566 -5.014 1.00 0.00 C ATOM 882 O TRP A 54 -1.382 1.261 -4.692 1.00 0.00 O ATOM 883 CB TRP A 54 -4.486 0.644 -3.603 1.00 0.00 C ATOM 884 CG TRP A 54 -3.924 1.010 -2.258 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.414 1.998 -1.473 1.00 0.00 C ATOM 886 CD2 TRP A 54 -2.926 0.309 -1.441 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.818 1.945 -0.230 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.936 0.892 -0.138 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.057 -0.792 -1.631 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.195 0.372 0.930 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.301 -1.318 -0.563 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.387 -0.757 0.723 1.00 0.00 C ATOM 0 H TRP A 54 -5.419 0.181 -5.786 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.670 2.201 -4.804 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.509 1.018 -3.642 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.543 -0.444 -3.648 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.159 2.719 -1.774 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.007 2.603 0.526 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.971 -1.237 -2.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.245 0.835 1.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.649 -2.161 -0.735 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.836 -1.191 1.545 1.00 0.00 H new ATOM 903 N PHE A 55 -2.198 -0.601 -5.653 1.00 0.00 N ATOM 904 CA PHE A 55 -0.905 -1.180 -6.015 1.00 0.00 C ATOM 905 C PHE A 55 -0.041 -0.213 -6.843 1.00 0.00 C ATOM 906 O PHE A 55 1.179 -0.197 -6.676 1.00 0.00 O ATOM 907 CB PHE A 55 -1.110 -2.502 -6.770 1.00 0.00 C ATOM 908 CG PHE A 55 -1.647 -3.648 -5.928 1.00 0.00 C ATOM 909 CD1 PHE A 55 -0.846 -4.197 -4.905 1.00 0.00 C ATOM 910 CD2 PHE A 55 -2.929 -4.184 -6.170 1.00 0.00 C ATOM 911 CE1 PHE A 55 -1.317 -5.283 -4.146 1.00 0.00 C ATOM 912 CE2 PHE A 55 -3.391 -5.278 -5.417 1.00 0.00 C ATOM 913 CZ PHE A 55 -2.584 -5.832 -4.408 1.00 0.00 C ATOM 0 H PHE A 55 -2.989 -1.178 -5.937 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.365 -1.374 -5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.797 -2.327 -7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.158 -2.806 -7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.131 -3.782 -4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.557 -3.753 -6.935 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.703 -5.696 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.368 -5.694 -5.614 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.937 -6.677 -3.836 1.00 0.00 H new ATOM 923 N GLN A 56 -0.644 0.663 -7.656 1.00 0.00 N ATOM 924 CA GLN A 56 0.010 1.701 -8.462 1.00 0.00 C ATOM 925 C GLN A 56 0.651 2.821 -7.613 1.00 0.00 C ATOM 926 O GLN A 56 1.018 3.886 -8.118 1.00 0.00 O ATOM 927 CB GLN A 56 -1.020 2.274 -9.450 1.00 0.00 C ATOM 928 CG GLN A 56 -0.427 2.554 -10.841 1.00 0.00 C ATOM 929 CD GLN A 56 -1.112 1.679 -11.885 1.00 0.00 C ATOM 930 OE1 GLN A 56 -0.532 0.734 -12.413 1.00 0.00 O ATOM 931 NE2 GLN A 56 -2.379 1.941 -12.143 1.00 0.00 N ATOM 0 H GLN A 56 -1.657 0.667 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 56 0.837 1.240 -9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.849 1.573 -9.549 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.430 3.198 -9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.556 3.606 -11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.645 2.356 -10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.838 2.732 -11.692 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.899 1.353 -12.794 1.00 0.00 H new ATOM 940 N ASN A 57 0.740 2.623 -6.297 1.00 0.00 N ATOM 941 CA ASN A 57 1.308 3.539 -5.320 1.00 0.00 C ATOM 942 C ASN A 57 2.357 2.781 -4.525 1.00 0.00 C ATOM 943 O ASN A 57 3.522 3.178 -4.474 1.00 0.00 O ATOM 944 CB ASN A 57 0.223 4.109 -4.388 1.00 0.00 C ATOM 945 CG ASN A 57 -0.854 4.895 -5.118 1.00 0.00 C ATOM 946 OD1 ASN A 57 -0.815 6.125 -5.134 1.00 0.00 O ATOM 947 ND2 ASN A 57 -1.818 4.229 -5.730 1.00 0.00 N ATOM 0 H ASN A 57 0.395 1.766 -5.864 1.00 0.00 H new ATOM 0 HA ASN A 57 1.761 4.388 -5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.244 3.289 -3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.694 4.756 -3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.550 4.735 -6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.830 3.209 -5.703 1.00 0.00 H new ATOM 954 N ARG A 58 1.979 1.631 -3.960 1.00 0.00 N ATOM 955 CA ARG A 58 2.855 0.807 -3.128 1.00 0.00 C ATOM 956 C ARG A 58 4.037 0.190 -3.890 1.00 0.00 C ATOM 957 O ARG A 58 4.866 -0.487 -3.277 1.00 0.00 O ATOM 958 CB ARG A 58 1.991 -0.251 -2.410 1.00 0.00 C ATOM 959 CG ARG A 58 2.461 -0.566 -0.983 1.00 0.00 C ATOM 960 CD ARG A 58 2.319 0.629 -0.030 1.00 0.00 C ATOM 961 NE ARG A 58 2.449 0.219 1.373 1.00 0.00 N ATOM 962 CZ ARG A 58 3.549 0.098 2.120 1.00 0.00 C ATOM 963 NH1 ARG A 58 4.758 0.326 1.620 1.00 0.00 N ATOM 964 NH2 ARG A 58 3.447 -0.264 3.389 1.00 0.00 N ATOM 0 H ARG A 58 1.042 1.242 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 58 3.334 1.451 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.959 0.099 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.996 -1.170 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.885 -1.406 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.504 -0.880 -1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.079 1.374 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.350 1.104 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 58 1.573 -0.006 1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.862 0.601 0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.582 0.226 2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.530 -0.450 3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.286 -0.357 3.962 1.00 0.00 H new