USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 433 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 47 THR OG1 : rot 180:sc= 0.0325 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.885 X(o=-0.85,f=-1.2) USER MOD Single : A 12 THR OG1 : rot -137:sc= 0.0278 USER MOD Single : A 16 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ -145:sc= -1.82! (180deg=-2.81!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.82 K(o=-1.8,f=-5!) USER MOD Single : A 56 GLN : amide:sc= -0.0801 X(o=-0.08,f=-0.39) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 4.304 2.138 9.519 1.00 0.00 N ATOM 117 CA TRP A 11 2.876 1.839 9.552 1.00 0.00 C ATOM 118 C TRP A 11 2.505 1.095 10.830 1.00 0.00 C ATOM 119 O TRP A 11 3.364 0.807 11.665 1.00 0.00 O ATOM 120 CB TRP A 11 2.479 1.009 8.330 1.00 0.00 C ATOM 121 CG TRP A 11 2.308 1.827 7.086 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.230 2.660 6.520 1.00 0.00 C ATOM 123 CD2 TRP A 11 1.144 1.891 6.256 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.709 3.239 5.388 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.431 2.782 5.204 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.112 1.280 6.297 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.506 3.077 4.205 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.029 1.574 5.306 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.716 2.465 4.271 1.00 0.00 C ATOM 0 HA TRP A 11 2.332 2.783 9.533 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.239 0.248 8.154 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.547 0.485 8.543 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.223 2.838 6.905 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.195 3.901 4.783 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.362 0.590 7.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.745 3.764 3.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.004 1.109 5.330 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.454 2.673 3.510 1.00 0.00 H new ATOM 140 N THR A 12 1.221 0.785 10.978 1.00 0.00 N ATOM 141 CA THR A 12 0.737 0.075 12.155 1.00 0.00 C ATOM 142 C THR A 12 -0.320 -0.957 11.779 1.00 0.00 C ATOM 143 O THR A 12 -1.075 -0.768 10.824 1.00 0.00 O ATOM 144 CB THR A 12 0.142 1.047 13.192 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.262 0.327 14.362 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.049 1.794 12.613 1.00 0.00 C ATOM 0 H THR A 12 0.497 1.015 10.297 1.00 0.00 H new ATOM 0 HA THR A 12 1.596 -0.432 12.593 1.00 0.00 H new ATOM 0 HB THR A 12 0.910 1.773 13.460 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.134 0.657 14.665 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.452 2.474 13.364 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.731 2.364 11.740 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.819 1.080 12.320 1.00 0.00 H new ATOM 154 N VAL A 13 -0.369 -2.049 12.535 1.00 0.00 N ATOM 155 CA VAL A 13 -1.336 -3.111 12.281 1.00 0.00 C ATOM 156 C VAL A 13 -2.642 -2.547 11.734 1.00 0.00 C ATOM 157 O VAL A 13 -3.200 -3.072 10.771 1.00 0.00 O ATOM 158 CB VAL A 13 -1.633 -3.917 13.560 1.00 0.00 C ATOM 159 CG1 VAL A 13 -2.744 -4.925 13.310 1.00 0.00 C ATOM 160 CG2 VAL A 13 -0.374 -4.610 14.057 1.00 0.00 C ATOM 0 H VAL A 13 0.249 -2.222 13.328 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.891 -3.773 11.538 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.969 -3.227 14.334 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.940 -5.485 14.224 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.649 -4.400 13.005 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.440 -5.613 12.521 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.602 -5.175 14.961 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.005 -5.289 13.288 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.389 -3.864 14.278 1.00 0.00 H new ATOM 170 N GLU A 14 -3.122 -1.474 12.354 1.00 0.00 N ATOM 171 CA GLU A 14 -4.364 -0.838 11.928 1.00 0.00 C ATOM 172 C GLU A 14 -4.366 -0.604 10.420 1.00 0.00 C ATOM 173 O GLU A 14 -5.127 -1.231 9.685 1.00 0.00 O ATOM 174 CB GLU A 14 -4.561 0.489 12.662 1.00 0.00 C ATOM 175 CG GLU A 14 -4.819 0.329 14.151 1.00 0.00 C ATOM 176 CD GLU A 14 -4.364 1.532 14.955 1.00 0.00 C ATOM 177 OE1 GLU A 14 -3.138 1.739 15.069 1.00 0.00 O ATOM 178 OE2 GLU A 14 -5.234 2.265 15.470 1.00 0.00 O ATOM 0 H GLU A 14 -2.671 -1.027 13.152 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.188 -1.507 12.175 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.675 1.108 12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.398 1.023 12.212 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.884 0.168 14.316 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.303 -0.561 14.512 1.00 0.00 H new ATOM 185 N GLU A 15 -3.508 0.306 9.968 1.00 0.00 N ATOM 186 CA GLU A 15 -3.412 0.625 8.548 1.00 0.00 C ATOM 187 C GLU A 15 -2.983 -0.599 7.744 1.00 0.00 C ATOM 188 O GLU A 15 -3.451 -0.814 6.626 1.00 0.00 O ATOM 189 CB GLU A 15 -2.420 1.768 8.326 1.00 0.00 C ATOM 190 CG GLU A 15 -2.869 3.090 8.926 1.00 0.00 C ATOM 191 CD GLU A 15 -4.074 3.674 8.213 1.00 0.00 C ATOM 192 OE1 GLU A 15 -3.927 4.094 7.046 1.00 0.00 O ATOM 193 OE2 GLU A 15 -5.163 3.711 8.824 1.00 0.00 O ATOM 0 H GLU A 15 -2.871 0.834 10.564 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.398 0.937 8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.458 1.491 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.264 1.899 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.110 2.944 9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.045 3.803 8.883 1.00 0.00 H new ATOM 200 N GLN A 16 -2.089 -1.396 8.321 1.00 0.00 N ATOM 201 CA GLN A 16 -1.596 -2.597 7.657 1.00 0.00 C ATOM 202 C GLN A 16 -2.745 -3.388 7.039 1.00 0.00 C ATOM 203 O GLN A 16 -2.884 -3.450 5.818 1.00 0.00 O ATOM 204 CB GLN A 16 -0.831 -3.476 8.649 1.00 0.00 C ATOM 205 CG GLN A 16 0.508 -2.894 9.069 1.00 0.00 C ATOM 206 CD GLN A 16 1.353 -3.880 9.852 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.684 -3.645 11.015 1.00 0.00 O ATOM 208 NE2 GLN A 16 1.707 -4.991 9.217 1.00 0.00 N ATOM 0 H GLN A 16 -1.692 -1.232 9.246 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.920 -2.289 6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.446 -3.628 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.668 -4.457 8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.056 -2.576 8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.339 -2.004 9.675 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.410 -5.144 8.253 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.276 -5.691 9.693 1.00 0.00 H new ATOM 217 N LYS A 17 -3.566 -3.992 7.891 1.00 0.00 N ATOM 218 CA LYS A 17 -4.704 -4.779 7.431 1.00 0.00 C ATOM 219 C LYS A 17 -5.807 -3.875 6.890 1.00 0.00 C ATOM 220 O LYS A 17 -6.388 -4.147 5.838 1.00 0.00 O ATOM 221 CB LYS A 17 -5.250 -5.640 8.572 1.00 0.00 C ATOM 222 CG LYS A 17 -5.631 -4.843 9.807 1.00 0.00 C ATOM 223 CD LYS A 17 -5.441 -5.657 11.076 1.00 0.00 C ATOM 224 CE LYS A 17 -6.251 -5.087 12.231 1.00 0.00 C ATOM 225 NZ LYS A 17 -6.091 -3.611 12.344 1.00 0.00 N ATOM 0 H LYS A 17 -3.464 -3.952 8.905 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.362 -5.429 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.125 -6.185 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.501 -6.383 8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.024 -3.939 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.671 -4.525 9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.740 -6.690 10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.385 -5.673 11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.305 -5.329 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.938 -5.559 13.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.110 -3.335 13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.183 -3.327 11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.868 -3.138 11.840 1.00 0.00 H new ATOM 239 N LYS A 18 -6.091 -2.797 7.613 1.00 0.00 N ATOM 240 CA LYS A 18 -7.122 -1.851 7.205 1.00 0.00 C ATOM 241 C LYS A 18 -6.927 -1.426 5.753 1.00 0.00 C ATOM 242 O LYS A 18 -7.892 -1.134 5.046 1.00 0.00 O ATOM 243 CB LYS A 18 -7.103 -0.621 8.114 1.00 0.00 C ATOM 244 CG LYS A 18 -8.183 0.396 7.785 1.00 0.00 C ATOM 245 CD LYS A 18 -8.360 1.405 8.908 1.00 0.00 C ATOM 246 CE LYS A 18 -9.358 2.489 8.531 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.060 3.036 9.725 1.00 0.00 N ATOM 0 H LYS A 18 -5.621 -2.557 8.486 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.089 -2.346 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.222 -0.943 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.128 -0.140 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.924 0.918 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.127 -0.119 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.700 0.893 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.398 1.861 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.839 3.296 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.090 2.082 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.731 3.772 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.576 2.271 10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.364 3.448 10.379 1.00 0.00 H new ATOM 261 N LEU A 19 -5.674 -1.395 5.314 1.00 0.00 N ATOM 262 CA LEU A 19 -5.352 -1.007 3.945 1.00 0.00 C ATOM 263 C LEU A 19 -5.675 -2.134 2.970 1.00 0.00 C ATOM 264 O LEU A 19 -6.440 -1.948 2.024 1.00 0.00 O ATOM 265 CB LEU A 19 -3.873 -0.630 3.835 1.00 0.00 C ATOM 266 CG LEU A 19 -3.262 -0.713 2.436 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.980 0.229 1.483 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.775 -0.394 2.484 1.00 0.00 C ATOM 0 H LEU A 19 -4.864 -1.634 5.886 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.961 -0.141 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.750 0.388 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.303 -1.280 4.498 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.383 -1.732 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.531 0.156 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.033 -0.045 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.891 1.252 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.357 -0.458 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.631 0.614 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.270 -1.109 3.133 1.00 0.00 H new ATOM 280 N GLU A 20 -5.089 -3.303 3.208 1.00 0.00 N ATOM 281 CA GLU A 20 -5.316 -4.460 2.351 1.00 0.00 C ATOM 282 C GLU A 20 -6.796 -4.598 2.004 1.00 0.00 C ATOM 283 O GLU A 20 -7.152 -4.866 0.857 1.00 0.00 O ATOM 284 CB GLU A 20 -4.821 -5.736 3.036 1.00 0.00 C ATOM 285 CG GLU A 20 -3.334 -5.987 2.851 1.00 0.00 C ATOM 286 CD GLU A 20 -2.865 -7.251 3.546 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.521 -7.670 4.522 1.00 0.00 O ATOM 288 OE2 GLU A 20 -1.841 -7.820 3.113 1.00 0.00 O ATOM 0 H GLU A 20 -4.453 -3.474 3.987 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.756 -4.311 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.041 -5.675 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.376 -6.588 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.111 -6.058 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.775 -5.135 3.238 1.00 0.00 H new ATOM 295 N GLN A 21 -7.652 -4.413 3.005 1.00 0.00 N ATOM 296 CA GLN A 21 -9.092 -4.518 2.806 1.00 0.00 C ATOM 297 C GLN A 21 -9.587 -3.451 1.836 1.00 0.00 C ATOM 298 O GLN A 21 -10.305 -3.749 0.881 1.00 0.00 O ATOM 299 CB GLN A 21 -9.824 -4.388 4.143 1.00 0.00 C ATOM 300 CG GLN A 21 -10.038 -5.716 4.851 1.00 0.00 C ATOM 301 CD GLN A 21 -11.037 -6.605 4.136 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.136 -6.584 2.909 1.00 0.00 O ATOM 303 NE2 GLN A 21 -11.784 -7.392 4.901 1.00 0.00 N ATOM 0 H GLN A 21 -7.373 -4.190 3.960 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.303 -5.498 2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.256 -3.725 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.792 -3.916 3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.085 -6.238 4.931 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.386 -5.530 5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.668 -7.377 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.473 -8.012 4.475 1.00 0.00 H new ATOM 312 N LEU A 22 -9.200 -2.205 2.088 1.00 0.00 N ATOM 313 CA LEU A 22 -9.605 -1.091 1.237 1.00 0.00 C ATOM 314 C LEU A 22 -9.257 -1.367 -0.223 1.00 0.00 C ATOM 315 O LEU A 22 -10.099 -1.227 -1.110 1.00 0.00 O ATOM 316 CB LEU A 22 -8.930 0.201 1.699 1.00 0.00 C ATOM 317 CG LEU A 22 -9.539 0.873 2.930 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.551 1.850 3.549 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.835 1.582 2.564 1.00 0.00 C ATOM 0 H LEU A 22 -8.607 -1.941 2.874 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.686 -0.978 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.882 -0.015 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.950 0.913 0.874 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.765 0.102 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.002 2.318 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.649 1.315 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.292 2.617 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.255 2.055 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.633 2.342 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.547 0.858 2.168 1.00 0.00 H new ATOM 331 N LEU A 23 -8.011 -1.760 -0.464 1.00 0.00 N ATOM 332 CA LEU A 23 -7.551 -2.057 -1.816 1.00 0.00 C ATOM 333 C LEU A 23 -8.605 -2.842 -2.589 1.00 0.00 C ATOM 334 O LEU A 23 -8.897 -2.536 -3.746 1.00 0.00 O ATOM 335 CB LEU A 23 -6.242 -2.848 -1.768 1.00 0.00 C ATOM 336 CG LEU A 23 -5.007 -2.075 -1.307 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.958 -3.026 -0.752 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.433 -1.254 -2.453 1.00 0.00 C ATOM 0 H LEU A 23 -7.302 -1.880 0.259 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.378 -1.112 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.381 -3.701 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.045 -3.247 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.305 -1.392 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.086 -2.457 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.372 -3.569 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.663 -3.734 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.554 -0.710 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.150 -1.918 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.183 -0.545 -2.804 1.00 0.00 H new ATOM 350 N ILE A 24 -9.174 -3.854 -1.943 1.00 0.00 N ATOM 351 CA ILE A 24 -10.199 -4.681 -2.569 1.00 0.00 C ATOM 352 C ILE A 24 -11.465 -3.875 -2.840 1.00 0.00 C ATOM 353 O ILE A 24 -12.066 -3.984 -3.909 1.00 0.00 O ATOM 354 CB ILE A 24 -10.554 -5.896 -1.693 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.312 -6.752 -1.442 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.649 -6.722 -2.353 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.409 -7.608 -0.198 1.00 0.00 C ATOM 0 H ILE A 24 -8.943 -4.121 -0.986 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.787 -5.034 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.924 -5.537 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.145 -7.397 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.442 -6.100 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.890 -7.578 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.539 -6.107 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.304 -7.074 -3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.493 -8.188 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.545 -6.968 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.258 -8.285 -0.288 1.00 0.00 H new ATOM 369 N LYS A 25 -11.864 -3.066 -1.865 1.00 0.00 N ATOM 370 CA LYS A 25 -13.058 -2.238 -1.998 1.00 0.00 C ATOM 371 C LYS A 25 -12.930 -1.285 -3.182 1.00 0.00 C ATOM 372 O LYS A 25 -13.864 -1.128 -3.968 1.00 0.00 O ATOM 373 CB LYS A 25 -13.297 -1.443 -0.713 1.00 0.00 C ATOM 374 CG LYS A 25 -14.398 -0.403 -0.837 1.00 0.00 C ATOM 375 CD LYS A 25 -14.538 0.415 0.435 1.00 0.00 C ATOM 376 CE LYS A 25 -15.604 1.490 0.292 1.00 0.00 C ATOM 377 NZ LYS A 25 -16.170 1.890 1.610 1.00 0.00 N ATOM 0 H LYS A 25 -11.378 -2.966 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.909 -2.896 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.551 -2.135 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.370 -0.946 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.181 0.260 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.344 -0.898 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.793 -0.243 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.582 0.879 0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.175 2.364 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.405 1.124 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.893 2.624 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.602 1.062 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.411 2.263 2.215 1.00 0.00 H new ATOM 391 N TYR A 26 -11.768 -0.653 -3.304 1.00 0.00 N ATOM 392 CA TYR A 26 -11.519 0.285 -4.392 1.00 0.00 C ATOM 393 C TYR A 26 -10.774 -0.394 -5.537 1.00 0.00 C ATOM 394 O TYR A 26 -9.568 -0.634 -5.472 1.00 0.00 O ATOM 395 CB TYR A 26 -10.715 1.484 -3.886 1.00 0.00 C ATOM 396 CG TYR A 26 -11.525 2.445 -3.045 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.327 3.412 -3.639 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.488 2.388 -1.658 1.00 0.00 C ATOM 399 CE1 TYR A 26 -13.069 4.293 -2.876 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.227 3.263 -0.886 1.00 0.00 C ATOM 401 CZ TYR A 26 -13.016 4.214 -1.500 1.00 0.00 C ATOM 402 OH TYR A 26 -13.752 5.089 -0.735 1.00 0.00 O ATOM 0 H TYR A 26 -10.984 -0.773 -2.663 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.482 0.633 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.871 1.123 -3.299 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.302 2.021 -4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.371 3.476 -4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.870 1.646 -1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.687 5.039 -3.354 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.188 3.203 0.192 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.603 4.898 0.215 1.00 0.00 H new ATOM 412 N PRO A 27 -11.509 -0.711 -6.614 1.00 0.00 N ATOM 413 CA PRO A 27 -10.940 -1.365 -7.795 1.00 0.00 C ATOM 414 C PRO A 27 -10.012 -0.443 -8.579 1.00 0.00 C ATOM 415 O PRO A 27 -10.043 0.779 -8.432 1.00 0.00 O ATOM 416 CB PRO A 27 -12.172 -1.721 -8.632 1.00 0.00 C ATOM 417 CG PRO A 27 -13.209 -0.736 -8.215 1.00 0.00 C ATOM 418 CD PRO A 27 -12.951 -0.454 -6.760 1.00 0.00 C ATOM 0 HA PRO A 27 -10.326 -2.225 -7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.961 -1.647 -9.699 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.498 -2.744 -8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.141 0.176 -8.807 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.211 -1.138 -8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.205 0.573 -6.499 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.542 -1.103 -6.114 1.00 0.00 H new ATOM 426 N PRO A 28 -9.166 -1.039 -9.432 1.00 0.00 N ATOM 427 CA PRO A 28 -8.214 -0.289 -10.256 1.00 0.00 C ATOM 428 C PRO A 28 -8.904 0.517 -11.351 1.00 0.00 C ATOM 429 O PRO A 28 -9.681 -0.024 -12.136 1.00 0.00 O ATOM 430 CB PRO A 28 -7.337 -1.383 -10.870 1.00 0.00 C ATOM 431 CG PRO A 28 -8.197 -2.600 -10.875 1.00 0.00 C ATOM 432 CD PRO A 28 -9.074 -2.491 -9.658 1.00 0.00 C ATOM 0 HA PRO A 28 -7.658 0.444 -9.671 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.021 -1.117 -11.879 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.432 -1.540 -10.284 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.796 -2.651 -11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.592 -3.506 -10.840 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.055 -2.934 -9.829 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.638 -3.004 -8.801 1.00 0.00 H new ATOM 440 N GLU A 29 -8.615 1.814 -11.396 1.00 0.00 N ATOM 441 CA GLU A 29 -9.209 2.694 -12.395 1.00 0.00 C ATOM 442 C GLU A 29 -8.157 3.179 -13.388 1.00 0.00 C ATOM 443 O GLU A 29 -6.975 2.860 -13.261 1.00 0.00 O ATOM 444 CB GLU A 29 -9.878 3.892 -11.719 1.00 0.00 C ATOM 445 CG GLU A 29 -8.913 4.765 -10.934 1.00 0.00 C ATOM 446 CD GLU A 29 -9.535 6.077 -10.498 1.00 0.00 C ATOM 447 OE1 GLU A 29 -10.294 6.667 -11.296 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.264 6.514 -9.360 1.00 0.00 O ATOM 0 H GLU A 29 -7.974 2.278 -10.753 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.963 2.125 -12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.369 4.500 -12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.657 3.531 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.569 4.220 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.034 4.969 -11.546 1.00 0.00 H new ATOM 455 N GLU A 30 -8.596 3.952 -14.377 1.00 0.00 N ATOM 456 CA GLU A 30 -7.692 4.479 -15.392 1.00 0.00 C ATOM 457 C GLU A 30 -6.520 5.215 -14.749 1.00 0.00 C ATOM 458 O GLU A 30 -5.362 4.980 -15.090 1.00 0.00 O ATOM 459 CB GLU A 30 -8.443 5.421 -16.336 1.00 0.00 C ATOM 460 CG GLU A 30 -7.767 5.598 -17.685 1.00 0.00 C ATOM 461 CD GLU A 30 -8.533 6.529 -18.604 1.00 0.00 C ATOM 462 OE1 GLU A 30 -8.797 7.680 -18.198 1.00 0.00 O ATOM 463 OE2 GLU A 30 -8.868 6.106 -19.730 1.00 0.00 O ATOM 0 H GLU A 30 -9.571 4.227 -14.496 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.300 3.638 -15.964 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.451 5.037 -16.492 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.543 6.396 -15.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.761 5.989 -17.534 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.662 4.625 -18.165 1.00 0.00 H new ATOM 470 N VAL A 31 -6.832 6.108 -13.814 1.00 0.00 N ATOM 471 CA VAL A 31 -5.806 6.879 -13.122 1.00 0.00 C ATOM 472 C VAL A 31 -5.390 6.197 -11.823 1.00 0.00 C ATOM 473 O VAL A 31 -6.199 6.032 -10.911 1.00 0.00 O ATOM 474 CB VAL A 31 -6.293 8.306 -12.807 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.206 9.096 -12.093 1.00 0.00 C ATOM 476 CG2 VAL A 31 -6.728 9.013 -14.081 1.00 0.00 C ATOM 0 H VAL A 31 -7.786 6.315 -13.519 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.947 6.936 -13.791 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.155 8.239 -12.143 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.568 10.101 -11.879 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.947 8.597 -11.159 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.323 9.156 -12.729 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.069 10.020 -13.840 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.886 9.070 -14.771 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.541 8.456 -14.547 1.00 0.00 H new ATOM 486 N GLU A 32 -4.122 5.805 -11.746 1.00 0.00 N ATOM 487 CA GLU A 32 -3.599 5.141 -10.558 1.00 0.00 C ATOM 488 C GLU A 32 -3.625 6.079 -9.355 1.00 0.00 C ATOM 489 O GLU A 32 -3.989 5.678 -8.250 1.00 0.00 O ATOM 490 CB GLU A 32 -2.171 4.652 -10.807 1.00 0.00 C ATOM 491 CG GLU A 32 -1.790 3.437 -9.977 1.00 0.00 C ATOM 492 CD GLU A 32 -2.263 2.136 -10.595 1.00 0.00 C ATOM 493 OE1 GLU A 32 -2.153 1.993 -11.831 1.00 0.00 O ATOM 494 OE2 GLU A 32 -2.743 1.262 -9.844 1.00 0.00 O ATOM 0 H GLU A 32 -3.439 5.936 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.236 4.283 -10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.058 4.410 -11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.475 5.463 -10.590 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.707 3.407 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.215 3.536 -8.978 1.00 0.00 H new ATOM 501 N SER A 33 -3.235 7.329 -9.579 1.00 0.00 N ATOM 502 CA SER A 33 -3.208 8.324 -8.513 1.00 0.00 C ATOM 503 C SER A 33 -4.574 8.438 -7.842 1.00 0.00 C ATOM 504 O SER A 33 -4.705 8.228 -6.636 1.00 0.00 O ATOM 505 CB SER A 33 -2.784 9.686 -9.067 1.00 0.00 C ATOM 506 OG SER A 33 -2.162 10.473 -8.067 1.00 0.00 O ATOM 0 H SER A 33 -2.933 7.677 -10.489 1.00 0.00 H new ATOM 0 HA SER A 33 -2.481 8.001 -7.767 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.098 9.545 -9.902 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.656 10.211 -9.457 1.00 0.00 H new ATOM 0 HG SER A 33 -1.899 11.337 -8.447 1.00 0.00 H new ATOM 512 N ARG A 34 -5.588 8.773 -8.633 1.00 0.00 N ATOM 513 CA ARG A 34 -6.944 8.916 -8.117 1.00 0.00 C ATOM 514 C ARG A 34 -7.289 7.771 -7.170 1.00 0.00 C ATOM 515 O ARG A 34 -7.804 7.993 -6.073 1.00 0.00 O ATOM 516 CB ARG A 34 -7.949 8.960 -9.269 1.00 0.00 C ATOM 517 CG ARG A 34 -8.083 10.332 -9.910 1.00 0.00 C ATOM 518 CD ARG A 34 -9.371 10.451 -10.709 1.00 0.00 C ATOM 519 NE ARG A 34 -9.806 11.839 -10.843 1.00 0.00 N ATOM 520 CZ ARG A 34 -11.066 12.196 -11.062 1.00 0.00 C ATOM 521 NH1 ARG A 34 -12.011 11.272 -11.171 1.00 0.00 N ATOM 522 NH2 ARG A 34 -11.384 13.479 -11.172 1.00 0.00 N ATOM 0 H ARG A 34 -5.496 8.950 -9.633 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.997 9.852 -7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.647 8.241 -10.030 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.925 8.644 -8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.061 11.100 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.230 10.514 -10.564 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.224 10.020 -11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.155 9.871 -10.222 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.103 12.574 -10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.771 10.284 -11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.978 11.549 -11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.660 14.193 -11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.352 13.752 -11.340 1.00 0.00 H new ATOM 536 N ARG A 35 -7.004 6.547 -7.601 1.00 0.00 N ATOM 537 CA ARG A 35 -7.285 5.367 -6.792 1.00 0.00 C ATOM 538 C ARG A 35 -6.754 5.541 -5.372 1.00 0.00 C ATOM 539 O ARG A 35 -7.521 5.568 -4.411 1.00 0.00 O ATOM 540 CB ARG A 35 -6.664 4.124 -7.432 1.00 0.00 C ATOM 541 CG ARG A 35 -6.807 2.869 -6.587 1.00 0.00 C ATOM 542 CD ARG A 35 -6.208 1.657 -7.284 1.00 0.00 C ATOM 543 NE ARG A 35 -6.108 0.506 -6.391 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.880 -0.733 -6.812 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.730 -0.980 -8.106 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.802 -1.729 -5.938 1.00 0.00 N ATOM 0 H ARG A 35 -6.579 6.346 -8.506 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.367 5.240 -6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.130 3.954 -8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.606 4.310 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.314 3.018 -5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.861 2.687 -6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.821 1.395 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.217 1.909 -7.662 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.219 0.662 -5.389 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.790 -0.218 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.555 -1.932 -8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.917 -1.543 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.627 -2.680 -6.263 1.00 0.00 H new ATOM 560 N TRP A 36 -5.436 5.658 -5.250 1.00 0.00 N ATOM 561 CA TRP A 36 -4.802 5.829 -3.948 1.00 0.00 C ATOM 562 C TRP A 36 -5.524 6.891 -3.126 1.00 0.00 C ATOM 563 O TRP A 36 -5.821 6.681 -1.950 1.00 0.00 O ATOM 564 CB TRP A 36 -3.332 6.213 -4.120 1.00 0.00 C ATOM 565 CG TRP A 36 -2.627 5.409 -5.171 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.819 5.886 -6.163 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.671 3.988 -5.336 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.357 4.847 -6.934 1.00 0.00 N ATOM 569 CE2 TRP A 36 -1.865 3.672 -6.447 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.312 2.951 -4.652 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.685 2.363 -6.888 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.132 1.653 -5.091 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.324 1.368 -6.200 1.00 0.00 C ATOM 0 H TRP A 36 -4.787 5.638 -6.036 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.863 4.880 -3.415 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.268 7.270 -4.378 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.817 6.085 -3.168 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.578 6.927 -6.319 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.736 4.936 -7.739 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.937 3.160 -3.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.063 2.141 -7.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.623 0.844 -4.570 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.203 0.343 -6.518 1.00 0.00 H new ATOM 584 N GLN A 37 -5.804 8.029 -3.752 1.00 0.00 N ATOM 585 CA GLN A 37 -6.491 9.123 -3.077 1.00 0.00 C ATOM 586 C GLN A 37 -7.767 8.631 -2.401 1.00 0.00 C ATOM 587 O GLN A 37 -8.034 8.954 -1.243 1.00 0.00 O ATOM 588 CB GLN A 37 -6.824 10.236 -4.072 1.00 0.00 C ATOM 589 CG GLN A 37 -7.438 11.468 -3.424 1.00 0.00 C ATOM 590 CD GLN A 37 -6.394 12.420 -2.876 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.831 13.233 -3.610 1.00 0.00 O ATOM 592 NE2 GLN A 37 -6.129 12.325 -1.578 1.00 0.00 N ATOM 0 H GLN A 37 -5.566 8.217 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.825 9.518 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.914 10.527 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.514 9.848 -4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.052 11.991 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.100 11.157 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.619 11.637 -1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.435 12.940 -1.153 1.00 0.00 H new ATOM 601 N LYS A 38 -8.552 7.847 -3.132 1.00 0.00 N ATOM 602 CA LYS A 38 -9.800 7.307 -2.604 1.00 0.00 C ATOM 603 C LYS A 38 -9.546 6.475 -1.351 1.00 0.00 C ATOM 604 O LYS A 38 -10.062 6.782 -0.276 1.00 0.00 O ATOM 605 CB LYS A 38 -10.499 6.453 -3.664 1.00 0.00 C ATOM 606 CG LYS A 38 -10.844 7.218 -4.931 1.00 0.00 C ATOM 607 CD LYS A 38 -11.176 6.277 -6.077 1.00 0.00 C ATOM 608 CE LYS A 38 -11.049 6.972 -7.423 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.092 8.020 -7.607 1.00 0.00 N ATOM 0 H LYS A 38 -8.346 7.571 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.445 8.144 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.857 5.611 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.413 6.038 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.693 7.875 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.005 7.854 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.509 5.416 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.191 5.899 -5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.061 7.424 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.130 6.235 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.971 8.470 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.035 7.585 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.999 8.738 -6.860 1.00 0.00 H new ATOM 623 N ILE A 39 -8.749 5.422 -1.498 1.00 0.00 N ATOM 624 CA ILE A 39 -8.426 4.548 -0.377 1.00 0.00 C ATOM 625 C ILE A 39 -7.909 5.348 0.813 1.00 0.00 C ATOM 626 O ILE A 39 -8.357 5.159 1.944 1.00 0.00 O ATOM 627 CB ILE A 39 -7.372 3.495 -0.770 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.936 2.550 -1.833 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.921 2.714 0.455 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.879 1.967 -2.745 1.00 0.00 C ATOM 0 H ILE A 39 -8.315 5.154 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.349 4.040 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.506 4.008 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.467 1.736 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.667 3.089 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.177 1.974 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.485 3.398 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.778 2.209 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.351 1.307 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.363 2.773 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.160 1.400 -2.153 1.00 0.00 H new ATOM 642 N ALA A 40 -6.964 6.245 0.551 1.00 0.00 N ATOM 643 CA ALA A 40 -6.388 7.078 1.600 1.00 0.00 C ATOM 644 C ALA A 40 -7.478 7.774 2.408 1.00 0.00 C ATOM 645 O ALA A 40 -7.555 7.618 3.627 1.00 0.00 O ATOM 646 CB ALA A 40 -5.438 8.103 0.998 1.00 0.00 C ATOM 0 H ALA A 40 -6.581 6.414 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.827 6.433 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.015 8.718 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.634 7.589 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.983 8.738 0.299 1.00 0.00 H new ATOM 652 N ASP A 41 -8.317 8.542 1.722 1.00 0.00 N ATOM 653 CA ASP A 41 -9.403 9.263 2.376 1.00 0.00 C ATOM 654 C ASP A 41 -10.022 8.420 3.487 1.00 0.00 C ATOM 655 O ASP A 41 -10.225 8.899 4.602 1.00 0.00 O ATOM 656 CB ASP A 41 -10.474 9.650 1.356 1.00 0.00 C ATOM 657 CG ASP A 41 -11.322 10.817 1.822 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.761 11.753 2.431 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.546 10.796 1.576 1.00 0.00 O ATOM 0 H ASP A 41 -8.266 8.681 0.713 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.990 10.169 2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.996 9.907 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.117 8.791 1.165 1.00 0.00 H new ATOM 664 N GLU A 42 -10.320 7.163 3.174 1.00 0.00 N ATOM 665 CA GLU A 42 -10.918 6.255 4.145 1.00 0.00 C ATOM 666 C GLU A 42 -10.017 6.096 5.367 1.00 0.00 C ATOM 667 O GLU A 42 -10.470 6.217 6.506 1.00 0.00 O ATOM 668 CB GLU A 42 -11.177 4.888 3.508 1.00 0.00 C ATOM 669 CG GLU A 42 -12.537 4.776 2.840 1.00 0.00 C ATOM 670 CD GLU A 42 -13.672 4.675 3.842 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.584 3.829 4.755 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.647 5.444 3.711 1.00 0.00 O ATOM 0 H GLU A 42 -10.157 6.750 2.255 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.867 6.683 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.401 4.688 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.093 4.118 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.697 5.645 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.549 3.899 2.193 1.00 0.00 H new ATOM 679 N LEU A 43 -8.740 5.824 5.122 1.00 0.00 N ATOM 680 CA LEU A 43 -7.775 5.648 6.201 1.00 0.00 C ATOM 681 C LEU A 43 -7.646 6.922 7.030 1.00 0.00 C ATOM 682 O LEU A 43 -7.771 6.894 8.253 1.00 0.00 O ATOM 683 CB LEU A 43 -6.410 5.255 5.632 1.00 0.00 C ATOM 684 CG LEU A 43 -6.333 3.886 4.956 1.00 0.00 C ATOM 685 CD1 LEU A 43 -5.022 3.736 4.201 1.00 0.00 C ATOM 686 CD2 LEU A 43 -6.490 2.774 5.983 1.00 0.00 C ATOM 0 H LEU A 43 -8.349 5.721 4.186 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.135 4.850 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.109 6.013 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.681 5.280 6.442 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.151 3.810 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.986 2.755 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.951 4.511 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.188 3.834 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.433 1.807 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.694 2.848 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.456 2.870 6.478 1.00 0.00 H new ATOM 698 N GLY A 44 -7.396 8.039 6.354 1.00 0.00 N ATOM 699 CA GLY A 44 -7.256 9.308 7.044 1.00 0.00 C ATOM 700 C GLY A 44 -5.811 9.643 7.354 1.00 0.00 C ATOM 701 O GLY A 44 -5.302 10.679 6.930 1.00 0.00 O ATOM 0 H GLY A 44 -7.288 8.088 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.686 10.100 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.826 9.278 7.973 1.00 0.00 H new ATOM 705 N ASN A 45 -5.149 8.764 8.100 1.00 0.00 N ATOM 706 CA ASN A 45 -3.754 8.973 8.469 1.00 0.00 C ATOM 707 C ASN A 45 -2.847 8.877 7.246 1.00 0.00 C ATOM 708 O ASN A 45 -1.934 9.684 7.072 1.00 0.00 O ATOM 709 CB ASN A 45 -3.323 7.948 9.520 1.00 0.00 C ATOM 710 CG ASN A 45 -4.218 7.964 10.744 1.00 0.00 C ATOM 711 OD1 ASN A 45 -5.063 8.846 10.898 1.00 0.00 O ATOM 712 ND2 ASN A 45 -4.035 6.986 11.624 1.00 0.00 N ATOM 0 H ASN A 45 -5.556 7.901 8.460 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.662 9.974 8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.334 6.952 9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.296 8.151 9.822 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.607 6.946 12.468 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.323 6.275 11.456 1.00 0.00 H new ATOM 719 N ARG A 46 -3.105 7.883 6.402 1.00 0.00 N ATOM 720 CA ARG A 46 -2.312 7.680 5.196 1.00 0.00 C ATOM 721 C ARG A 46 -2.809 8.571 4.062 1.00 0.00 C ATOM 722 O ARG A 46 -3.943 9.053 4.087 1.00 0.00 O ATOM 723 CB ARG A 46 -2.363 6.213 4.767 1.00 0.00 C ATOM 724 CG ARG A 46 -1.676 5.269 5.740 1.00 0.00 C ATOM 725 CD ARG A 46 -0.201 5.606 5.895 1.00 0.00 C ATOM 726 NE ARG A 46 0.023 6.622 6.919 1.00 0.00 N ATOM 727 CZ ARG A 46 0.069 6.356 8.220 1.00 0.00 C ATOM 728 NH1 ARG A 46 -0.092 5.113 8.652 1.00 0.00 N ATOM 729 NH2 ARG A 46 0.278 7.335 9.091 1.00 0.00 N ATOM 0 H ARG A 46 -3.857 7.206 6.531 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.280 7.950 5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.405 5.912 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.896 6.114 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.167 5.325 6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.781 4.243 5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.352 4.703 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.192 5.959 4.942 1.00 0.00 H new ATOM 0 HE ARG A 46 0.151 7.589 6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.252 4.358 7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.056 4.912 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.403 8.292 8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.313 7.130 10.090 1.00 0.00 H new ATOM 743 N THR A 47 -1.955 8.787 3.066 1.00 0.00 N ATOM 744 CA THR A 47 -2.306 9.621 1.924 1.00 0.00 C ATOM 745 C THR A 47 -2.044 8.893 0.610 1.00 0.00 C ATOM 746 O THR A 47 -1.413 7.837 0.591 1.00 0.00 O ATOM 747 CB THR A 47 -1.519 10.944 1.931 1.00 0.00 C ATOM 748 OG1 THR A 47 -0.186 10.724 1.456 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.472 11.539 3.330 1.00 0.00 C ATOM 0 H THR A 47 -1.014 8.395 3.028 1.00 0.00 H new ATOM 0 HA THR A 47 -3.370 9.840 2.009 1.00 0.00 H new ATOM 0 HB THR A 47 -2.028 11.647 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.307 11.571 1.462 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.911 12.473 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.487 11.733 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.985 10.838 4.007 1.00 0.00 H new ATOM 757 N ALA A 48 -2.531 9.465 -0.485 1.00 0.00 N ATOM 758 CA ALA A 48 -2.346 8.872 -1.804 1.00 0.00 C ATOM 759 C ALA A 48 -0.890 8.480 -2.030 1.00 0.00 C ATOM 760 O ALA A 48 -0.593 7.575 -2.810 1.00 0.00 O ATOM 761 CB ALA A 48 -2.811 9.835 -2.886 1.00 0.00 C ATOM 0 H ALA A 48 -3.057 10.339 -0.486 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.950 7.966 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.667 9.379 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.868 10.061 -2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.232 10.757 -2.826 1.00 0.00 H new ATOM 767 N LYS A 49 0.016 9.169 -1.345 1.00 0.00 N ATOM 768 CA LYS A 49 1.443 8.894 -1.471 1.00 0.00 C ATOM 769 C LYS A 49 1.837 7.677 -0.640 1.00 0.00 C ATOM 770 O LYS A 49 2.233 6.646 -1.184 1.00 0.00 O ATOM 771 CB LYS A 49 2.258 10.112 -1.030 1.00 0.00 C ATOM 772 CG LYS A 49 2.362 11.192 -2.093 1.00 0.00 C ATOM 773 CD LYS A 49 3.576 10.983 -2.983 1.00 0.00 C ATOM 774 CE LYS A 49 3.342 11.529 -4.383 1.00 0.00 C ATOM 775 NZ LYS A 49 4.622 11.792 -5.097 1.00 0.00 N ATOM 0 H LYS A 49 -0.212 9.922 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 49 1.657 8.681 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.804 10.538 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.261 9.787 -0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.458 11.192 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.424 12.170 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.442 11.474 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.808 9.919 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.746 10.818 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.764 12.451 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.420 12.163 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.180 12.490 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.162 10.907 -5.179 1.00 0.00 H new ATOM 789 N GLN A 50 1.725 7.805 0.678 1.00 0.00 N ATOM 790 CA GLN A 50 2.070 6.714 1.582 1.00 0.00 C ATOM 791 C GLN A 50 1.426 5.407 1.130 1.00 0.00 C ATOM 792 O GLN A 50 1.951 4.324 1.385 1.00 0.00 O ATOM 793 CB GLN A 50 1.629 7.047 3.009 1.00 0.00 C ATOM 794 CG GLN A 50 2.529 8.055 3.704 1.00 0.00 C ATOM 795 CD GLN A 50 2.130 9.489 3.419 1.00 0.00 C ATOM 796 OE1 GLN A 50 1.283 10.059 4.108 1.00 0.00 O ATOM 797 NE2 GLN A 50 2.739 10.081 2.398 1.00 0.00 N ATOM 0 H GLN A 50 1.399 8.652 1.143 1.00 0.00 H new ATOM 0 HA GLN A 50 3.153 6.589 1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.612 7.437 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.604 6.129 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.500 7.881 4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.559 7.898 3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.435 9.571 1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.511 11.046 2.158 1.00 0.00 H new ATOM 806 N VAL A 51 0.285 5.518 0.457 1.00 0.00 N ATOM 807 CA VAL A 51 -0.432 4.346 -0.031 1.00 0.00 C ATOM 808 C VAL A 51 0.168 3.841 -1.339 1.00 0.00 C ATOM 809 O VAL A 51 0.253 2.635 -1.570 1.00 0.00 O ATOM 810 CB VAL A 51 -1.926 4.651 -0.249 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.643 3.434 -0.812 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.571 5.105 1.052 1.00 0.00 C ATOM 0 H VAL A 51 -0.163 6.408 0.237 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.335 3.575 0.733 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.012 5.461 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.697 3.669 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.196 3.158 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.551 2.602 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.626 5.316 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.476 4.318 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.074 6.007 1.409 1.00 0.00 H new ATOM 822 N ALA A 52 0.585 4.772 -2.191 1.00 0.00 N ATOM 823 CA ALA A 52 1.179 4.422 -3.475 1.00 0.00 C ATOM 824 C ALA A 52 2.445 3.593 -3.285 1.00 0.00 C ATOM 825 O ALA A 52 2.610 2.542 -3.906 1.00 0.00 O ATOM 826 CB ALA A 52 1.484 5.679 -4.276 1.00 0.00 C ATOM 0 H ALA A 52 0.522 5.775 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 52 0.460 3.818 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.927 5.402 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.561 6.232 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.182 6.304 -3.720 1.00 0.00 H new ATOM 832 N SER A 53 3.338 4.072 -2.425 1.00 0.00 N ATOM 833 CA SER A 53 4.592 3.378 -2.157 1.00 0.00 C ATOM 834 C SER A 53 4.336 2.046 -1.459 1.00 0.00 C ATOM 835 O SER A 53 4.961 1.035 -1.780 1.00 0.00 O ATOM 836 CB SER A 53 5.509 4.250 -1.298 1.00 0.00 C ATOM 837 OG SER A 53 6.251 5.153 -2.099 1.00 0.00 O ATOM 0 H SER A 53 3.216 4.939 -1.901 1.00 0.00 H new ATOM 0 HA SER A 53 5.081 3.181 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.914 4.806 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.191 3.617 -0.731 1.00 0.00 H new ATOM 0 HG SER A 53 6.828 5.700 -1.526 1.00 0.00 H new ATOM 843 N GLN A 54 3.414 2.054 -0.501 1.00 0.00 N ATOM 844 CA GLN A 54 3.076 0.847 0.244 1.00 0.00 C ATOM 845 C GLN A 54 2.538 -0.235 -0.687 1.00 0.00 C ATOM 846 O GLN A 54 2.950 -1.392 -0.614 1.00 0.00 O ATOM 847 CB GLN A 54 2.045 1.163 1.328 1.00 0.00 C ATOM 848 CG GLN A 54 2.092 0.209 2.510 1.00 0.00 C ATOM 849 CD GLN A 54 3.329 0.399 3.364 1.00 0.00 C ATOM 850 OE1 GLN A 54 4.380 0.813 2.873 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.212 0.097 4.652 1.00 0.00 N ATOM 0 H GLN A 54 2.888 2.883 -0.223 1.00 0.00 H new ATOM 0 HA GLN A 54 3.986 0.475 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.207 2.180 1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.048 1.135 0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.204 0.355 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.061 -0.818 2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.322 -0.243 5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.012 0.205 5.276 1.00 0.00 H new ATOM 860 N VAL A 55 1.615 0.150 -1.562 1.00 0.00 N ATOM 861 CA VAL A 55 1.020 -0.786 -2.508 1.00 0.00 C ATOM 862 C VAL A 55 2.094 -1.520 -3.304 1.00 0.00 C ATOM 863 O VAL A 55 1.959 -2.707 -3.599 1.00 0.00 O ATOM 864 CB VAL A 55 0.072 -0.069 -3.488 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.500 -1.054 -4.495 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.041 0.638 -2.729 1.00 0.00 C ATOM 0 H VAL A 55 1.263 1.104 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 55 0.448 -1.506 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 55 0.642 0.682 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.167 -0.529 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.313 -1.510 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.056 -1.830 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.702 1.140 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.611 -0.093 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.609 1.374 -2.051 1.00 0.00 H new ATOM 876 N GLN A 56 3.161 -0.805 -3.647 1.00 0.00 N ATOM 877 CA GLN A 56 4.259 -1.389 -4.408 1.00 0.00 C ATOM 878 C GLN A 56 4.844 -2.595 -3.682 1.00 0.00 C ATOM 879 O GLN A 56 5.040 -3.656 -4.274 1.00 0.00 O ATOM 880 CB GLN A 56 5.351 -0.346 -4.651 1.00 0.00 C ATOM 881 CG GLN A 56 4.907 0.802 -5.544 1.00 0.00 C ATOM 882 CD GLN A 56 4.976 0.455 -7.018 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.060 0.275 -7.576 1.00 0.00 O ATOM 884 NE2 GLN A 56 3.817 0.358 -7.659 1.00 0.00 N ATOM 0 H GLN A 56 3.288 0.179 -3.410 1.00 0.00 H new ATOM 0 HA GLN A 56 3.865 -1.722 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.678 0.056 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.214 -0.834 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.885 1.082 -5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.534 1.672 -5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.942 0.515 -7.158 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.801 0.126 -8.652 1.00 0.00 H new ATOM 893 N LYS A 57 5.124 -2.425 -2.394 1.00 0.00 N ATOM 894 CA LYS A 57 5.686 -3.500 -1.584 1.00 0.00 C ATOM 895 C LYS A 57 4.588 -4.420 -1.061 1.00 0.00 C ATOM 896 O LYS A 57 4.764 -5.101 -0.051 1.00 0.00 O ATOM 897 CB LYS A 57 6.482 -2.920 -0.412 1.00 0.00 C ATOM 898 CG LYS A 57 7.799 -2.286 -0.825 1.00 0.00 C ATOM 899 CD LYS A 57 8.220 -1.194 0.143 1.00 0.00 C ATOM 900 CE LYS A 57 9.176 -0.208 -0.510 1.00 0.00 C ATOM 901 NZ LYS A 57 8.451 0.872 -1.234 1.00 0.00 N ATOM 0 H LYS A 57 4.971 -1.552 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 57 6.354 -4.085 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.872 -2.173 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.681 -3.713 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.574 -3.051 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.704 -1.868 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.338 -0.664 0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.698 -1.643 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.818 0.234 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.826 -0.739 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.138 1.523 -1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.857 0.453 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.850 1.395 -0.566 1.00 0.00 H new ATOM 915 N TYR A 58 3.456 -4.436 -1.756 1.00 0.00 N ATOM 916 CA TYR A 58 2.328 -5.272 -1.360 1.00 0.00 C ATOM 917 C TYR A 58 1.942 -6.231 -2.482 1.00 0.00 C ATOM 918 O TYR A 58 1.508 -7.356 -2.230 1.00 0.00 O ATOM 919 CB TYR A 58 1.128 -4.401 -0.983 1.00 0.00 C ATOM 920 CG TYR A 58 1.090 -4.024 0.481 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.237 -3.596 1.138 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.092 -4.097 1.206 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.207 -3.251 2.475 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.132 -3.753 2.544 1.00 0.00 C ATOM 925 CZ TYR A 58 1.020 -3.331 3.174 1.00 0.00 C ATOM 926 OH TYR A 58 0.985 -2.988 4.506 1.00 0.00 O ATOM 0 H TYR A 58 3.295 -3.880 -2.596 1.00 0.00 H new ATOM 0 HA TYR A 58 2.629 -5.858 -0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.147 -3.491 -1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.210 -4.932 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.168 -3.532 0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.996 -4.428 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.108 -2.920 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.060 -3.814 3.093 1.00 0.00 H new ATOM 0 HH TYR A 58 0.074 -3.099 4.849 1.00 0.00 H new ATOM 936 N PHE A 59 2.104 -5.779 -3.721 1.00 0.00 N ATOM 937 CA PHE A 59 1.772 -6.596 -4.882 1.00 0.00 C ATOM 938 C PHE A 59 3.034 -7.009 -5.635 1.00 0.00 C ATOM 939 O PHE A 59 3.182 -8.165 -6.032 1.00 0.00 O ATOM 940 CB PHE A 59 0.833 -5.832 -5.818 1.00 0.00 C ATOM 941 CG PHE A 59 -0.501 -5.518 -5.204 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.584 -4.769 -4.041 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.672 -5.972 -5.789 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.810 -4.480 -3.473 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.901 -5.685 -5.226 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.970 -4.937 -4.067 1.00 0.00 C ATOM 0 H PHE A 59 2.463 -4.851 -3.947 1.00 0.00 H new ATOM 0 HA PHE A 59 1.269 -7.497 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.313 -4.901 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.678 -6.419 -6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.320 -4.407 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.624 -6.557 -6.696 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.861 -3.897 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.806 -6.045 -5.692 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.929 -4.710 -3.626 1.00 0.00 H new ATOM 956 N ILE A 60 3.939 -6.055 -5.827 1.00 0.00 N ATOM 957 CA ILE A 60 5.188 -6.319 -6.531 1.00 0.00 C ATOM 958 C ILE A 60 6.130 -7.164 -5.681 1.00 0.00 C ATOM 959 O ILE A 60 6.671 -8.168 -6.145 1.00 0.00 O ATOM 960 CB ILE A 60 5.901 -5.011 -6.922 1.00 0.00 C ATOM 961 CG1 ILE A 60 4.992 -4.153 -7.804 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.209 -5.314 -7.638 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.531 -2.762 -8.056 1.00 0.00 C ATOM 0 H ILE A 60 3.831 -5.093 -5.505 1.00 0.00 H new ATOM 0 HA ILE A 60 4.930 -6.867 -7.437 1.00 0.00 H new ATOM 0 HB ILE A 60 6.127 -4.453 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.847 -4.656 -8.760 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.012 -4.074 -7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.701 -4.380 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.859 -5.890 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.005 -5.890 -8.540 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.835 -2.211 -8.688 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.650 -2.240 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.498 -2.831 -8.555 1.00 0.00 H new