USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 361 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 19 CYS SG : rot 166:sc= 1.04 USER MOD Set 1.2: A 21 CYS SG : rot -80:sc= 0.0714 USER MOD Set 1.3: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 29 MET CE :methyl -108:sc= -2.73 (180deg=-2.94!) USER MOD Set 1.5: A 43 HIS : no HD1:sc= -3.02 K(o=-4.6,f=-7.1!) USER MOD Set 1.6: A 46 CYS SG : rot -170:sc= 0 USER MOD Set 2.1: A 32 CYS SG : rot -169:sc= -0.984 USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= 0.74 F(o=-1.5,f=1.3) USER MOD Set 2.3: A 37 CYS SG : rot 97:sc= 0.102 USER MOD Set 2.4: A 59 CYS SG : rot -77:sc= 0.398 USER MOD Set 2.5: A 62 CYS SG : rot -134:sc= 1.06 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.224 F(o=-0.87,f=-0.22) USER MOD Single : A 23 GLN : amide:sc= -0.0118 K(o=-0.012,f=-1.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -56:sc= 0.64 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 96:sc= 0.178 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.280 15.818 3.533 1.00 0.00 N ATOM 186 CA PRO A 16 -4.173 14.723 3.923 1.00 0.00 C ATOM 187 C PRO A 16 -3.508 13.357 3.790 1.00 0.00 C ATOM 188 O PRO A 16 -2.418 13.237 3.228 1.00 0.00 O ATOM 189 CB PRO A 16 -5.339 14.848 2.939 1.00 0.00 C ATOM 190 CG PRO A 16 -4.757 15.527 1.747 1.00 0.00 C ATOM 191 CD PRO A 16 -3.701 16.458 2.276 1.00 0.00 C ATOM 0 HA PRO A 16 -4.471 14.793 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.744 13.870 2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.157 15.429 3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.327 14.802 1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.522 16.076 1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.869 16.560 1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.097 17.459 2.448 1.00 0.00 H new ATOM 199 N THR A 17 -4.169 12.328 4.310 1.00 0.00 N ATOM 200 CA THR A 17 -3.642 10.971 4.250 1.00 0.00 C ATOM 201 C THR A 17 -4.521 10.077 3.382 1.00 0.00 C ATOM 202 O THR A 17 -5.748 10.153 3.440 1.00 0.00 O ATOM 203 CB THR A 17 -3.526 10.350 5.655 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.825 10.234 6.247 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.630 11.194 6.547 1.00 0.00 C ATOM 0 H THR A 17 -5.072 12.409 4.778 1.00 0.00 H new ATOM 0 HA THR A 17 -2.648 11.038 3.808 1.00 0.00 H new ATOM 0 HB THR A 17 -3.082 9.359 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.744 9.837 7.139 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.563 10.736 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.634 11.256 6.108 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.049 12.196 6.640 1.00 0.00 H new ATOM 213 N TYR A 18 -3.886 9.231 2.579 1.00 0.00 N ATOM 214 CA TYR A 18 -4.611 8.324 1.697 1.00 0.00 C ATOM 215 C TYR A 18 -4.222 6.874 1.969 1.00 0.00 C ATOM 216 O TYR A 18 -5.050 6.064 2.385 1.00 0.00 O ATOM 217 CB TYR A 18 -4.335 8.672 0.234 1.00 0.00 C ATOM 218 CG TYR A 18 -4.731 10.083 -0.138 1.00 0.00 C ATOM 219 CD1 TYR A 18 -6.012 10.368 -0.594 1.00 0.00 C ATOM 220 CD2 TYR A 18 -3.824 11.130 -0.035 1.00 0.00 C ATOM 221 CE1 TYR A 18 -6.379 11.656 -0.936 1.00 0.00 C ATOM 222 CE2 TYR A 18 -4.182 12.421 -0.373 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.460 12.679 -0.823 1.00 0.00 C ATOM 224 OH TYR A 18 -5.821 13.963 -1.162 1.00 0.00 O ATOM 0 H TYR A 18 -2.871 9.154 2.520 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.677 8.439 1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.273 8.536 0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.873 7.972 -0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.734 9.569 -0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.822 10.932 0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.379 11.860 -1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.465 13.224 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.059 14.564 -1.024 1.00 0.00 H new ATOM 234 N CYS A 19 -2.954 6.554 1.731 1.00 0.00 N ATOM 235 CA CYS A 19 -2.452 5.203 1.949 1.00 0.00 C ATOM 236 C CYS A 19 -3.023 4.611 3.235 1.00 0.00 C ATOM 237 O CYS A 19 -3.401 5.341 4.153 1.00 0.00 O ATOM 238 CB CYS A 19 -0.924 5.208 2.012 1.00 0.00 C ATOM 239 SG CYS A 19 -0.175 3.547 2.049 1.00 0.00 S ATOM 0 H CYS A 19 -2.255 7.213 1.387 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.772 4.584 1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.537 5.750 1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.610 5.756 2.900 1.00 0.00 H new ATOM 0 HG CYS A 19 1.097 3.639 1.795 1.00 0.00 H new ATOM 244 N LEU A 20 -3.083 3.285 3.294 1.00 0.00 N ATOM 245 CA LEU A 20 -3.607 2.595 4.467 1.00 0.00 C ATOM 246 C LEU A 20 -2.828 2.981 5.720 1.00 0.00 C ATOM 247 O LEU A 20 -3.398 3.112 6.804 1.00 0.00 O ATOM 248 CB LEU A 20 -3.546 1.080 4.261 1.00 0.00 C ATOM 249 CG LEU A 20 -4.105 0.560 2.937 1.00 0.00 C ATOM 250 CD1 LEU A 20 -3.411 -0.732 2.535 1.00 0.00 C ATOM 251 CD2 LEU A 20 -5.609 0.350 3.038 1.00 0.00 C ATOM 0 H LEU A 20 -2.775 2.667 2.543 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.646 2.896 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.506 0.764 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.089 0.601 5.075 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.913 1.307 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.822 -1.087 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.342 -0.551 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.570 -1.486 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.989 -0.020 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.823 -0.377 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.093 1.296 3.279 1.00 0.00 H new ATOM 263 N CYS A 21 -1.521 3.163 5.565 1.00 0.00 N ATOM 264 CA CYS A 21 -0.662 3.536 6.682 1.00 0.00 C ATOM 265 C CYS A 21 -1.043 4.910 7.226 1.00 0.00 C ATOM 266 O CYS A 21 -0.516 5.354 8.245 1.00 0.00 O ATOM 267 CB CYS A 21 0.805 3.537 6.247 1.00 0.00 C ATOM 268 SG CYS A 21 1.203 4.778 4.975 1.00 0.00 S ATOM 0 H CYS A 21 -1.033 3.058 4.675 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.799 2.800 7.474 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.432 3.714 7.121 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.061 2.548 5.867 1.00 0.00 H new ATOM 0 HG CYS A 21 0.834 4.338 3.809 1.00 0.00 H new ATOM 273 N ASN A 22 -1.963 5.579 6.538 1.00 0.00 N ATOM 274 CA ASN A 22 -2.414 6.902 6.951 1.00 0.00 C ATOM 275 C ASN A 22 -1.274 7.913 6.881 1.00 0.00 C ATOM 276 O ASN A 22 -0.965 8.584 7.865 1.00 0.00 O ATOM 277 CB ASN A 22 -2.978 6.851 8.373 1.00 0.00 C ATOM 278 CG ASN A 22 -3.830 5.619 8.612 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.237 4.600 9.223 1.00 0.00 O flip ATOM 280 ND2 ASN A 22 -5.007 5.586 8.253 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.410 5.226 5.692 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.200 7.220 6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.156 6.865 9.088 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.575 7.744 8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.421 6.393 7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.568 4.751 8.422 1.00 0.00 H new ATOM 287 N GLN A 23 -0.653 8.016 5.710 1.00 0.00 N ATOM 288 CA GLN A 23 0.453 8.945 5.512 1.00 0.00 C ATOM 289 C GLN A 23 0.181 9.871 4.332 1.00 0.00 C ATOM 290 O GLN A 23 -0.853 9.766 3.672 1.00 0.00 O ATOM 291 CB GLN A 23 1.757 8.177 5.283 1.00 0.00 C ATOM 292 CG GLN A 23 2.401 7.676 6.565 1.00 0.00 C ATOM 293 CD GLN A 23 3.099 8.778 7.337 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.396 9.841 6.792 1.00 0.00 O ATOM 295 NE2 GLN A 23 3.366 8.529 8.614 1.00 0.00 N ATOM 0 H GLN A 23 -0.897 7.468 4.885 1.00 0.00 H new ATOM 0 HA GLN A 23 0.550 9.552 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.559 7.327 4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.462 8.823 4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.638 7.222 7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.121 6.894 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.102 7.634 9.025 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.835 9.233 9.184 1.00 0.00 H new ATOM 304 N VAL A 24 1.115 10.781 4.072 1.00 0.00 N ATOM 305 CA VAL A 24 0.977 11.726 2.970 1.00 0.00 C ATOM 306 C VAL A 24 1.858 11.329 1.791 1.00 0.00 C ATOM 307 O VAL A 24 2.954 10.799 1.973 1.00 0.00 O ATOM 308 CB VAL A 24 1.340 13.157 3.410 1.00 0.00 C ATOM 309 CG1 VAL A 24 0.464 13.597 4.573 1.00 0.00 C ATOM 310 CG2 VAL A 24 2.813 13.243 3.779 1.00 0.00 C ATOM 0 H VAL A 24 1.976 10.884 4.610 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.068 11.702 2.662 1.00 0.00 H new ATOM 0 HB VAL A 24 1.158 13.832 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.735 14.610 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.582 13.576 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.611 12.921 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.052 14.261 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.023 12.556 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.421 12.973 2.915 1.00 0.00 H new ATOM 320 N SER A 25 1.371 11.590 0.582 1.00 0.00 N ATOM 321 CA SER A 25 2.113 11.257 -0.629 1.00 0.00 C ATOM 322 C SER A 25 3.545 11.779 -0.549 1.00 0.00 C ATOM 323 O SER A 25 3.774 12.952 -0.255 1.00 0.00 O ATOM 324 CB SER A 25 1.413 11.841 -1.858 1.00 0.00 C ATOM 325 OG SER A 25 2.226 11.720 -3.012 1.00 0.00 O ATOM 0 H SER A 25 0.466 12.031 0.415 1.00 0.00 H new ATOM 0 HA SER A 25 2.145 10.171 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.466 11.326 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.179 12.891 -1.683 1.00 0.00 H new ATOM 0 HG SER A 25 1.756 12.099 -3.784 1.00 0.00 H new ATOM 331 N TYR A 26 4.504 10.899 -0.813 1.00 0.00 N ATOM 332 CA TYR A 26 5.913 11.268 -0.770 1.00 0.00 C ATOM 333 C TYR A 26 6.635 10.814 -2.035 1.00 0.00 C ATOM 334 O TYR A 26 7.582 11.456 -2.487 1.00 0.00 O ATOM 335 CB TYR A 26 6.585 10.656 0.461 1.00 0.00 C ATOM 336 CG TYR A 26 6.459 9.151 0.534 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.242 8.329 -0.266 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.556 8.551 1.403 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.130 6.954 -0.204 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.438 7.177 1.474 1.00 0.00 C ATOM 341 CZ TYR A 26 6.227 6.382 0.668 1.00 0.00 C ATOM 342 OH TYR A 26 6.111 5.013 0.735 1.00 0.00 O ATOM 0 H TYR A 26 4.331 9.924 -1.059 1.00 0.00 H new ATOM 0 HA TYR A 26 5.975 12.354 -0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.642 10.924 0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.147 11.093 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.951 8.773 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.936 9.170 2.034 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.746 6.330 -0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.732 6.727 2.157 1.00 0.00 H new ATOM 0 HH TYR A 26 5.431 4.774 1.399 1.00 0.00 H new ATOM 352 N GLY A 27 6.178 9.701 -2.602 1.00 0.00 N ATOM 353 CA GLY A 27 6.790 9.179 -3.810 1.00 0.00 C ATOM 354 C GLY A 27 5.775 8.580 -4.762 1.00 0.00 C ATOM 355 O GLY A 27 4.666 9.095 -4.900 1.00 0.00 O ATOM 0 H GLY A 27 5.395 9.152 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.329 9.980 -4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.525 8.420 -3.542 1.00 0.00 H new ATOM 359 N GLU A 28 6.155 7.491 -5.422 1.00 0.00 N ATOM 360 CA GLU A 28 5.269 6.824 -6.369 1.00 0.00 C ATOM 361 C GLU A 28 3.999 6.338 -5.676 1.00 0.00 C ATOM 362 O GLU A 28 4.060 5.607 -4.687 1.00 0.00 O ATOM 363 CB GLU A 28 5.986 5.644 -7.029 1.00 0.00 C ATOM 364 CG GLU A 28 6.823 6.038 -8.234 1.00 0.00 C ATOM 365 CD GLU A 28 6.039 5.990 -9.530 1.00 0.00 C ATOM 366 OE1 GLU A 28 5.603 4.886 -9.919 1.00 0.00 O ATOM 367 OE2 GLU A 28 5.860 7.055 -10.156 1.00 0.00 O ATOM 0 H GLU A 28 7.070 7.052 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 28 4.990 7.546 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.629 5.162 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.245 4.906 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.213 7.045 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.682 5.371 -8.309 1.00 0.00 H new ATOM 374 N MET A 29 2.850 6.750 -6.201 1.00 0.00 N ATOM 375 CA MET A 29 1.566 6.357 -5.634 1.00 0.00 C ATOM 376 C MET A 29 0.611 5.883 -6.725 1.00 0.00 C ATOM 377 O MET A 29 0.646 6.380 -7.851 1.00 0.00 O ATOM 378 CB MET A 29 0.943 7.526 -4.868 1.00 0.00 C ATOM 379 CG MET A 29 1.455 7.661 -3.444 1.00 0.00 C ATOM 380 SD MET A 29 0.427 8.747 -2.436 1.00 0.00 S ATOM 381 CE MET A 29 -0.135 7.606 -1.174 1.00 0.00 C ATOM 0 H MET A 29 2.782 7.356 -7.019 1.00 0.00 H new ATOM 0 HA MET A 29 1.740 5.531 -4.944 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.145 8.452 -5.407 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.139 7.399 -4.846 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.497 6.675 -2.982 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.474 8.047 -3.464 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.191 7.383 -1.329 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.443 6.684 -1.233 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.000 8.056 -0.190 1.00 0.00 H new ATOM 391 N ILE A 30 -0.238 4.919 -6.385 1.00 0.00 N ATOM 392 CA ILE A 30 -1.201 4.379 -7.337 1.00 0.00 C ATOM 393 C ILE A 30 -2.631 4.686 -6.905 1.00 0.00 C ATOM 394 O ILE A 30 -2.910 4.855 -5.718 1.00 0.00 O ATOM 395 CB ILE A 30 -1.040 2.856 -7.498 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.483 2.137 -6.222 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.402 2.508 -7.835 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.543 2.342 -5.055 1.00 0.00 C ATOM 0 H ILE A 30 -0.279 4.496 -5.458 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.002 4.860 -8.295 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.675 2.523 -8.319 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.477 2.488 -5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.567 1.070 -6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.499 1.428 -7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.685 2.995 -8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.056 2.851 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.920 1.804 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.446 1.965 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.477 3.405 -4.823 1.00 0.00 H new ATOM 410 N GLY A 31 -3.536 4.754 -7.877 1.00 0.00 N ATOM 411 CA GLY A 31 -4.927 5.038 -7.577 1.00 0.00 C ATOM 412 C GLY A 31 -5.815 3.820 -7.739 1.00 0.00 C ATOM 413 O GLY A 31 -6.096 3.392 -8.859 1.00 0.00 O ATOM 0 H GLY A 31 -3.330 4.617 -8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.007 5.409 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.282 5.833 -8.233 1.00 0.00 H new ATOM 417 N CYS A 32 -6.258 3.259 -6.619 1.00 0.00 N ATOM 418 CA CYS A 32 -7.118 2.082 -6.641 1.00 0.00 C ATOM 419 C CYS A 32 -8.143 2.178 -7.766 1.00 0.00 C ATOM 420 O CYS A 32 -8.701 3.246 -8.023 1.00 0.00 O ATOM 421 CB CYS A 32 -7.832 1.922 -5.297 1.00 0.00 C ATOM 422 SG CYS A 32 -8.945 0.482 -5.214 1.00 0.00 S ATOM 0 H CYS A 32 -6.035 3.601 -5.684 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.491 1.208 -6.819 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.084 1.836 -4.508 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.408 2.825 -5.094 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.675 0.559 -4.141 1.00 0.00 H new ATOM 427 N ASP A 33 -8.387 1.056 -8.434 1.00 0.00 N ATOM 428 CA ASP A 33 -9.346 1.013 -9.532 1.00 0.00 C ATOM 429 C ASP A 33 -10.758 0.764 -9.010 1.00 0.00 C ATOM 430 O ASP A 33 -11.595 0.192 -9.706 1.00 0.00 O ATOM 431 CB ASP A 33 -8.960 -0.078 -10.532 1.00 0.00 C ATOM 432 CG ASP A 33 -9.454 0.221 -11.934 1.00 0.00 C ATOM 433 OD1 ASP A 33 -9.054 1.262 -12.496 1.00 0.00 O ATOM 434 OD2 ASP A 33 -10.241 -0.588 -12.470 1.00 0.00 O ATOM 0 H ASP A 33 -7.934 0.164 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.328 1.980 -10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.875 -0.186 -10.547 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.370 -1.032 -10.201 1.00 0.00 H new ATOM 439 N ASN A 34 -11.014 1.198 -7.780 1.00 0.00 N ATOM 440 CA ASN A 34 -12.324 1.022 -7.164 1.00 0.00 C ATOM 441 C ASN A 34 -12.928 2.368 -6.776 1.00 0.00 C ATOM 442 O ASN A 34 -12.539 2.968 -5.776 1.00 0.00 O ATOM 443 CB ASN A 34 -12.213 0.125 -5.930 1.00 0.00 C ATOM 444 CG ASN A 34 -13.557 -0.122 -5.273 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.644 0.163 -3.978 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.506 -0.565 -5.921 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.331 1.674 -7.190 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.980 0.546 -7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.771 -0.829 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.538 0.586 -5.209 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.394 -0.770 -6.914 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.404 -0.727 -5.465 1.00 0.00 H new ATOM 453 N GLU A 35 -13.883 2.834 -7.576 1.00 0.00 N ATOM 454 CA GLU A 35 -14.541 4.109 -7.315 1.00 0.00 C ATOM 455 C GLU A 35 -14.802 4.291 -5.823 1.00 0.00 C ATOM 456 O GLU A 35 -14.282 5.218 -5.201 1.00 0.00 O ATOM 457 CB GLU A 35 -15.858 4.195 -8.089 1.00 0.00 C ATOM 458 CG GLU A 35 -15.676 4.261 -9.596 1.00 0.00 C ATOM 459 CD GLU A 35 -16.979 4.078 -10.350 1.00 0.00 C ATOM 460 OE1 GLU A 35 -17.490 2.939 -10.382 1.00 0.00 O ATOM 461 OE2 GLU A 35 -17.487 5.073 -10.907 1.00 0.00 O ATOM 0 H GLU A 35 -14.217 2.349 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.878 4.907 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.471 3.328 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.407 5.077 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.238 5.223 -9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.970 3.491 -9.907 1.00 0.00 H new ATOM 468 N GLN A 36 -15.611 3.402 -5.256 1.00 0.00 N ATOM 469 CA GLN A 36 -15.942 3.466 -3.838 1.00 0.00 C ATOM 470 C GLN A 36 -14.726 3.875 -3.013 1.00 0.00 C ATOM 471 O GLN A 36 -14.795 4.799 -2.202 1.00 0.00 O ATOM 472 CB GLN A 36 -16.470 2.114 -3.354 1.00 0.00 C ATOM 473 CG GLN A 36 -17.470 2.224 -2.214 1.00 0.00 C ATOM 474 CD GLN A 36 -18.779 2.857 -2.645 1.00 0.00 C ATOM 475 OE1 GLN A 36 -19.133 2.837 -3.824 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.506 3.423 -1.688 1.00 0.00 N ATOM 0 H GLN A 36 -16.049 2.629 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.718 4.220 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.940 1.597 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.630 1.500 -3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.667 1.230 -1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.033 2.814 -1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.174 3.416 -0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -20.396 3.864 -1.918 1.00 0.00 H new ATOM 485 N CYS A 37 -13.613 3.180 -3.224 1.00 0.00 N ATOM 486 CA CYS A 37 -12.382 3.469 -2.500 1.00 0.00 C ATOM 487 C CYS A 37 -12.200 4.973 -2.315 1.00 0.00 C ATOM 488 O CYS A 37 -11.792 5.692 -3.228 1.00 0.00 O ATOM 489 CB CYS A 37 -11.179 2.887 -3.245 1.00 0.00 C ATOM 490 SG CYS A 37 -9.807 2.380 -2.159 1.00 0.00 S ATOM 0 H CYS A 37 -13.539 2.412 -3.891 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.451 3.005 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.507 2.024 -3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.812 3.628 -3.955 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.886 1.103 -1.927 1.00 0.00 H new ATOM 495 N PRO A 38 -12.509 5.462 -1.105 1.00 0.00 N ATOM 496 CA PRO A 38 -12.387 6.884 -0.770 1.00 0.00 C ATOM 497 C PRO A 38 -10.934 7.338 -0.691 1.00 0.00 C ATOM 498 O PRO A 38 -10.653 8.503 -0.407 1.00 0.00 O ATOM 499 CB PRO A 38 -13.055 6.984 0.604 1.00 0.00 C ATOM 500 CG PRO A 38 -12.923 5.620 1.189 1.00 0.00 C ATOM 501 CD PRO A 38 -13.001 4.664 0.031 1.00 0.00 C ATOM 0 HA PRO A 38 -12.843 7.522 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.566 7.732 1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.101 7.277 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.977 5.513 1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.717 5.426 1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.385 3.780 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.021 4.316 -0.134 1.00 0.00 H new ATOM 509 N ILE A 39 -10.015 6.413 -0.943 1.00 0.00 N ATOM 510 CA ILE A 39 -8.590 6.720 -0.901 1.00 0.00 C ATOM 511 C ILE A 39 -8.003 6.796 -2.307 1.00 0.00 C ATOM 512 O ILE A 39 -7.305 7.750 -2.646 1.00 0.00 O ATOM 513 CB ILE A 39 -7.812 5.669 -0.088 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.392 5.551 1.323 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.335 6.031 -0.031 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.851 4.373 2.102 1.00 0.00 C ATOM 0 H ILE A 39 -10.231 5.444 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.490 7.690 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.911 4.703 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.179 6.468 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.476 5.464 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.798 5.279 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.930 6.069 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.217 7.005 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.306 4.352 3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.087 3.449 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.770 4.468 2.201 1.00 0.00 H new ATOM 528 N GLU A 40 -8.293 5.785 -3.119 1.00 0.00 N ATOM 529 CA GLU A 40 -7.794 5.739 -4.489 1.00 0.00 C ATOM 530 C GLU A 40 -6.400 6.351 -4.580 1.00 0.00 C ATOM 531 O GLU A 40 -6.069 7.025 -5.556 1.00 0.00 O ATOM 532 CB GLU A 40 -8.750 6.477 -5.428 1.00 0.00 C ATOM 533 CG GLU A 40 -9.919 5.627 -5.899 1.00 0.00 C ATOM 534 CD GLU A 40 -10.899 6.406 -6.754 1.00 0.00 C ATOM 535 OE1 GLU A 40 -11.698 7.179 -6.186 1.00 0.00 O ATOM 536 OE2 GLU A 40 -10.867 6.242 -7.992 1.00 0.00 O ATOM 0 H GLU A 40 -8.870 4.987 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.734 4.694 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.136 7.360 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.193 6.828 -6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.540 4.778 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.441 5.222 -5.032 1.00 0.00 H new ATOM 543 N TRP A 41 -5.587 6.112 -3.558 1.00 0.00 N ATOM 544 CA TRP A 41 -4.228 6.640 -3.522 1.00 0.00 C ATOM 545 C TRP A 41 -3.403 5.948 -2.443 1.00 0.00 C ATOM 546 O TRP A 41 -3.695 6.067 -1.252 1.00 0.00 O ATOM 547 CB TRP A 41 -4.252 8.149 -3.274 1.00 0.00 C ATOM 548 CG TRP A 41 -4.702 8.940 -4.465 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.857 9.659 -4.582 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.006 9.090 -5.707 1.00 0.00 C ATOM 551 NE1 TRP A 41 -5.922 10.247 -5.822 1.00 0.00 N ATOM 552 CE2 TRP A 41 -4.798 9.914 -6.531 1.00 0.00 C ATOM 553 CE3 TRP A 41 -2.791 8.610 -6.203 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.412 10.265 -7.822 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.410 8.960 -7.484 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.218 9.781 -8.282 1.00 0.00 C ATOM 0 H TRP A 41 -5.845 5.556 -2.743 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.763 6.445 -4.489 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.914 8.361 -2.435 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.254 8.478 -2.984 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.609 9.752 -3.813 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.683 10.836 -6.160 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.161 7.977 -5.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.034 10.897 -8.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.473 8.594 -7.877 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.892 10.037 -9.279 1.00 0.00 H new ATOM 567 N PHE A 42 -2.372 5.224 -2.865 1.00 0.00 N ATOM 568 CA PHE A 42 -1.505 4.512 -1.933 1.00 0.00 C ATOM 569 C PHE A 42 -0.068 4.478 -2.446 1.00 0.00 C ATOM 570 O PHE A 42 0.198 4.797 -3.605 1.00 0.00 O ATOM 571 CB PHE A 42 -2.015 3.086 -1.717 1.00 0.00 C ATOM 572 CG PHE A 42 -3.493 3.012 -1.457 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.401 3.197 -2.487 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.973 2.756 -0.183 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.761 3.129 -2.251 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.332 2.686 0.059 1.00 0.00 C ATOM 577 CZ PHE A 42 -6.228 2.874 -0.976 1.00 0.00 C ATOM 0 H PHE A 42 -2.116 5.115 -3.846 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.521 5.044 -0.982 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.778 2.487 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.483 2.642 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.042 3.397 -3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.278 2.609 0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.458 3.275 -3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.693 2.484 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.290 2.822 -0.789 1.00 0.00 H new ATOM 587 N HIS A 43 0.856 4.088 -1.573 1.00 0.00 N ATOM 588 CA HIS A 43 2.267 4.011 -1.936 1.00 0.00 C ATOM 589 C HIS A 43 2.597 2.654 -2.550 1.00 0.00 C ATOM 590 O HIS A 43 1.742 1.771 -2.625 1.00 0.00 O ATOM 591 CB HIS A 43 3.145 4.256 -0.708 1.00 0.00 C ATOM 592 CG HIS A 43 2.811 5.518 0.025 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.402 5.538 1.342 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.829 6.809 -0.381 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.181 6.786 1.714 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.433 7.577 0.687 1.00 0.00 N ATOM 0 H HIS A 43 0.653 3.821 -0.610 1.00 0.00 H new ATOM 0 HA HIS A 43 2.469 4.784 -2.678 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.045 3.412 -0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.189 4.292 -1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.104 7.168 -1.362 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.851 7.105 2.691 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.347 8.593 0.687 1.00 0.00 H new ATOM 604 N PHE A 44 3.841 2.496 -2.989 1.00 0.00 N ATOM 605 CA PHE A 44 4.283 1.247 -3.598 1.00 0.00 C ATOM 606 C PHE A 44 4.874 0.309 -2.550 1.00 0.00 C ATOM 607 O PHE A 44 4.379 -0.798 -2.342 1.00 0.00 O ATOM 608 CB PHE A 44 5.318 1.526 -4.690 1.00 0.00 C ATOM 609 CG PHE A 44 4.721 2.070 -5.957 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.793 3.099 -5.915 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.088 1.554 -7.189 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.242 3.600 -7.078 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.540 2.052 -8.356 1.00 0.00 C ATOM 614 CZ PHE A 44 3.616 3.077 -8.301 1.00 0.00 C ATOM 0 H PHE A 44 4.561 3.217 -2.935 1.00 0.00 H new ATOM 0 HA PHE A 44 3.414 0.763 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.053 2.236 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.853 0.604 -4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.498 3.513 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.811 0.753 -7.238 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.519 4.401 -7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.834 1.640 -9.310 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.187 3.469 -9.211 1.00 0.00 H new ATOM 624 N SER A 45 5.937 0.762 -1.892 1.00 0.00 N ATOM 625 CA SER A 45 6.600 -0.037 -0.868 1.00 0.00 C ATOM 626 C SER A 45 5.580 -0.646 0.090 1.00 0.00 C ATOM 627 O SER A 45 5.711 -1.798 0.504 1.00 0.00 O ATOM 628 CB SER A 45 7.599 0.821 -0.089 1.00 0.00 C ATOM 629 OG SER A 45 8.825 0.938 -0.789 1.00 0.00 O ATOM 0 H SER A 45 6.357 1.678 -2.050 1.00 0.00 H new ATOM 0 HA SER A 45 7.136 -0.846 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.178 1.812 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.777 0.378 0.891 1.00 0.00 H new ATOM 0 HG SER A 45 9.446 1.492 -0.271 1.00 0.00 H new ATOM 635 N CYS A 46 4.564 0.136 0.438 1.00 0.00 N ATOM 636 CA CYS A 46 3.521 -0.323 1.347 1.00 0.00 C ATOM 637 C CYS A 46 2.733 -1.476 0.732 1.00 0.00 C ATOM 638 O CYS A 46 2.549 -2.520 1.358 1.00 0.00 O ATOM 639 CB CYS A 46 2.575 0.828 1.695 1.00 0.00 C ATOM 640 SG CYS A 46 3.224 1.967 2.960 1.00 0.00 S ATOM 0 H CYS A 46 4.441 1.092 0.104 1.00 0.00 H new ATOM 0 HA CYS A 46 4.000 -0.679 2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.359 1.394 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.629 0.414 2.045 1.00 0.00 H new ATOM 0 HG CYS A 46 2.281 2.778 3.338 1.00 0.00 H new ATOM 645 N VAL A 47 2.269 -1.279 -0.498 1.00 0.00 N ATOM 646 CA VAL A 47 1.502 -2.301 -1.198 1.00 0.00 C ATOM 647 C VAL A 47 2.421 -3.275 -1.927 1.00 0.00 C ATOM 648 O VAL A 47 2.061 -3.822 -2.970 1.00 0.00 O ATOM 649 CB VAL A 47 0.527 -1.675 -2.214 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.499 -0.806 -1.503 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.289 -0.870 -3.256 1.00 0.00 C ATOM 0 H VAL A 47 2.411 -0.420 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 47 0.931 -2.840 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.004 -2.478 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.179 -0.372 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.065 -1.415 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.011 -0.007 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.585 -0.435 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.847 -0.074 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.981 -1.524 -3.786 1.00 0.00 H new ATOM 661 N SER A 48 3.609 -3.487 -1.371 1.00 0.00 N ATOM 662 CA SER A 48 4.583 -4.393 -1.970 1.00 0.00 C ATOM 663 C SER A 48 4.620 -4.226 -3.486 1.00 0.00 C ATOM 664 O SER A 48 4.519 -5.200 -4.233 1.00 0.00 O ATOM 665 CB SER A 48 4.248 -5.843 -1.613 1.00 0.00 C ATOM 666 OG SER A 48 5.204 -6.736 -2.160 1.00 0.00 O ATOM 0 H SER A 48 3.921 -3.044 -0.507 1.00 0.00 H new ATOM 0 HA SER A 48 5.567 -4.145 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.218 -5.957 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.255 -6.093 -1.988 1.00 0.00 H new ATOM 0 HG SER A 48 5.261 -6.601 -3.129 1.00 0.00 H new ATOM 672 N LEU A 49 4.765 -2.984 -3.934 1.00 0.00 N ATOM 673 CA LEU A 49 4.816 -2.686 -5.361 1.00 0.00 C ATOM 674 C LEU A 49 6.178 -2.121 -5.752 1.00 0.00 C ATOM 675 O LEU A 49 6.790 -1.366 -4.995 1.00 0.00 O ATOM 676 CB LEU A 49 3.713 -1.695 -5.735 1.00 0.00 C ATOM 677 CG LEU A 49 2.390 -2.305 -6.198 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.366 -1.215 -6.473 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.603 -3.164 -7.436 1.00 0.00 C ATOM 0 H LEU A 49 4.849 -2.167 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 49 4.660 -3.617 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.515 -1.060 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.088 -1.047 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 49 2.007 -2.941 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.431 -1.669 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.191 -0.642 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.741 -0.552 -7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.651 -3.590 -7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.010 -2.550 -8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.302 -3.968 -7.205 1.00 0.00 H new ATOM 691 N THR A 50 6.648 -2.490 -6.939 1.00 0.00 N ATOM 692 CA THR A 50 7.936 -2.019 -7.431 1.00 0.00 C ATOM 693 C THR A 50 7.759 -0.948 -8.501 1.00 0.00 C ATOM 694 O THR A 50 8.507 0.029 -8.546 1.00 0.00 O ATOM 695 CB THR A 50 8.772 -3.175 -8.012 1.00 0.00 C ATOM 696 OG1 THR A 50 8.814 -4.264 -7.084 1.00 0.00 O ATOM 697 CG2 THR A 50 10.188 -2.715 -8.326 1.00 0.00 C ATOM 0 H THR A 50 6.155 -3.114 -7.578 1.00 0.00 H new ATOM 0 HA THR A 50 8.463 -1.592 -6.578 1.00 0.00 H new ATOM 0 HB THR A 50 8.301 -3.505 -8.938 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.346 -4.995 -7.462 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.759 -3.549 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.154 -1.906 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.666 -2.361 -7.413 1.00 0.00 H new ATOM 705 N TYR A 51 6.764 -1.137 -9.361 1.00 0.00 N ATOM 706 CA TYR A 51 6.489 -0.187 -10.433 1.00 0.00 C ATOM 707 C TYR A 51 5.004 -0.175 -10.782 1.00 0.00 C ATOM 708 O TYR A 51 4.266 -1.101 -10.445 1.00 0.00 O ATOM 709 CB TYR A 51 7.313 -0.533 -11.674 1.00 0.00 C ATOM 710 CG TYR A 51 6.927 -1.849 -12.309 1.00 0.00 C ATOM 711 CD1 TYR A 51 7.323 -3.057 -11.747 1.00 0.00 C ATOM 712 CD2 TYR A 51 6.168 -1.886 -13.472 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.973 -4.262 -12.325 1.00 0.00 C ATOM 714 CE2 TYR A 51 5.812 -3.086 -14.056 1.00 0.00 C ATOM 715 CZ TYR A 51 6.217 -4.272 -13.479 1.00 0.00 C ATOM 716 OH TYR A 51 5.866 -5.470 -14.058 1.00 0.00 O ATOM 0 H TYR A 51 6.135 -1.939 -9.337 1.00 0.00 H new ATOM 0 HA TYR A 51 6.770 0.807 -10.084 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.198 0.263 -12.410 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.368 -0.566 -11.402 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.914 -3.054 -10.843 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.851 -0.960 -13.928 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.290 -5.192 -11.876 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.220 -3.096 -14.959 1.00 0.00 H new ATOM 0 HH TYR A 51 5.333 -5.301 -14.863 1.00 0.00 H new ATOM 726 N LYS A 52 4.571 0.883 -11.461 1.00 0.00 N ATOM 727 CA LYS A 52 3.175 1.018 -11.859 1.00 0.00 C ATOM 728 C LYS A 52 2.715 -0.201 -12.653 1.00 0.00 C ATOM 729 O LYS A 52 3.136 -0.428 -13.787 1.00 0.00 O ATOM 730 CB LYS A 52 2.982 2.286 -12.694 1.00 0.00 C ATOM 731 CG LYS A 52 1.565 2.831 -12.653 1.00 0.00 C ATOM 732 CD LYS A 52 1.213 3.363 -11.274 1.00 0.00 C ATOM 733 CE LYS A 52 -0.194 3.941 -11.243 1.00 0.00 C ATOM 734 NZ LYS A 52 -0.254 5.287 -11.877 1.00 0.00 N ATOM 0 H LYS A 52 5.168 1.659 -11.747 1.00 0.00 H new ATOM 0 HA LYS A 52 2.571 1.090 -10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.668 3.054 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.251 2.074 -13.729 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.459 3.628 -13.389 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.863 2.045 -12.931 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.294 2.560 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.930 4.132 -10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.876 3.265 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.536 4.010 -10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.229 5.647 -11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.377 5.939 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.048 5.217 -12.870 1.00 0.00 H new ATOM 748 N PRO A 53 1.830 -1.005 -12.045 1.00 0.00 N ATOM 749 CA PRO A 53 1.293 -2.213 -12.678 1.00 0.00 C ATOM 750 C PRO A 53 0.354 -1.892 -13.836 1.00 0.00 C ATOM 751 O PRO A 53 -0.685 -1.258 -13.650 1.00 0.00 O ATOM 752 CB PRO A 53 0.527 -2.897 -11.542 1.00 0.00 C ATOM 753 CG PRO A 53 0.162 -1.792 -10.612 1.00 0.00 C ATOM 754 CD PRO A 53 1.285 -0.795 -10.693 1.00 0.00 C ATOM 0 HA PRO A 53 2.079 -2.830 -13.113 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.360 -3.410 -11.915 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.143 -3.646 -11.044 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.786 -1.337 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.042 -2.162 -9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.927 0.226 -10.558 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.037 -0.973 -9.924 1.00 0.00 H new ATOM 762 N LYS A 54 0.726 -2.334 -15.032 1.00 0.00 N ATOM 763 CA LYS A 54 -0.083 -2.096 -16.222 1.00 0.00 C ATOM 764 C LYS A 54 -1.532 -2.510 -15.986 1.00 0.00 C ATOM 765 O LYS A 54 -1.814 -3.369 -15.152 1.00 0.00 O ATOM 766 CB LYS A 54 0.490 -2.863 -17.416 1.00 0.00 C ATOM 767 CG LYS A 54 -0.032 -2.378 -18.757 1.00 0.00 C ATOM 768 CD LYS A 54 0.908 -2.756 -19.890 1.00 0.00 C ATOM 769 CE LYS A 54 0.832 -4.242 -20.205 1.00 0.00 C ATOM 770 NZ LYS A 54 1.504 -4.572 -21.492 1.00 0.00 N ATOM 0 H LYS A 54 1.583 -2.859 -15.204 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.059 -1.028 -16.439 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.576 -2.776 -17.405 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.254 -3.921 -17.305 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.017 -2.806 -18.942 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.155 -1.295 -18.731 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.656 -2.181 -20.781 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.930 -2.492 -19.619 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.296 -4.808 -19.398 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.212 -4.550 -20.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.430 -5.594 -21.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.045 -4.051 -22.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.507 -4.302 -21.439 1.00 0.00 H new ATOM 784 N GLY A 55 -2.447 -1.894 -16.729 1.00 0.00 N ATOM 785 CA GLY A 55 -3.856 -2.214 -16.586 1.00 0.00 C ATOM 786 C GLY A 55 -4.466 -1.601 -15.341 1.00 0.00 C ATOM 787 O GLY A 55 -4.040 -0.538 -14.890 1.00 0.00 O ATOM 0 H GLY A 55 -2.238 -1.180 -17.427 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.397 -1.860 -17.464 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.978 -3.297 -16.551 1.00 0.00 H new ATOM 791 N LYS A 56 -5.469 -2.271 -14.785 1.00 0.00 N ATOM 792 CA LYS A 56 -6.141 -1.787 -13.585 1.00 0.00 C ATOM 793 C LYS A 56 -5.509 -2.380 -12.330 1.00 0.00 C ATOM 794 O LYS A 56 -5.123 -3.549 -12.312 1.00 0.00 O ATOM 795 CB LYS A 56 -7.630 -2.137 -13.633 1.00 0.00 C ATOM 796 CG LYS A 56 -7.912 -3.621 -13.475 1.00 0.00 C ATOM 797 CD LYS A 56 -7.739 -4.365 -14.788 1.00 0.00 C ATOM 798 CE LYS A 56 -8.678 -5.557 -14.882 1.00 0.00 C ATOM 799 NZ LYS A 56 -8.637 -6.192 -16.228 1.00 0.00 N ATOM 0 H LYS A 56 -5.835 -3.152 -15.147 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.029 -0.703 -13.549 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.148 -1.591 -12.845 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.044 -1.796 -14.582 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.241 -4.042 -12.726 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.928 -3.762 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.927 -3.686 -15.620 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.708 -4.705 -14.881 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.407 -6.293 -14.125 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.696 -5.235 -14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.291 -7.000 -16.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.920 -5.497 -16.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.671 -6.523 -16.427 1.00 0.00 H new ATOM 813 N TRP A 57 -5.407 -1.568 -11.284 1.00 0.00 N ATOM 814 CA TRP A 57 -4.822 -2.015 -10.025 1.00 0.00 C ATOM 815 C TRP A 57 -5.768 -1.746 -8.860 1.00 0.00 C ATOM 816 O TRP A 57 -6.117 -0.598 -8.584 1.00 0.00 O ATOM 817 CB TRP A 57 -3.484 -1.314 -9.783 1.00 0.00 C ATOM 818 CG TRP A 57 -2.831 -1.708 -8.493 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.974 -2.752 -8.293 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.985 -1.064 -7.223 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.586 -2.796 -6.975 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.192 -1.771 -6.299 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.715 0.042 -6.778 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -2.110 -1.407 -4.957 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.632 0.402 -5.446 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.834 -0.320 -4.549 1.00 0.00 C ATOM 0 H TRP A 57 -5.721 -0.598 -11.283 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.654 -3.090 -10.092 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.809 -1.541 -10.608 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.641 -0.235 -9.788 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.649 -3.442 -9.058 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.950 -3.481 -6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.332 0.605 -7.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.497 -1.963 -4.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.192 1.254 -5.091 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.789 -0.012 -3.515 1.00 0.00 H new ATOM 837 N TYR A 58 -6.179 -2.810 -8.180 1.00 0.00 N ATOM 838 CA TYR A 58 -7.087 -2.688 -7.045 1.00 0.00 C ATOM 839 C TYR A 58 -6.331 -2.812 -5.726 1.00 0.00 C ATOM 840 O TYR A 58 -5.719 -3.843 -5.442 1.00 0.00 O ATOM 841 CB TYR A 58 -8.180 -3.756 -7.122 1.00 0.00 C ATOM 842 CG TYR A 58 -9.185 -3.515 -8.226 1.00 0.00 C ATOM 843 CD1 TYR A 58 -10.288 -2.695 -8.021 1.00 0.00 C ATOM 844 CD2 TYR A 58 -9.032 -4.107 -9.473 1.00 0.00 C ATOM 845 CE1 TYR A 58 -11.210 -2.474 -9.026 1.00 0.00 C ATOM 846 CE2 TYR A 58 -9.947 -3.889 -10.485 1.00 0.00 C ATOM 847 CZ TYR A 58 -11.035 -3.072 -10.256 1.00 0.00 C ATOM 848 OH TYR A 58 -11.950 -2.853 -11.260 1.00 0.00 O ATOM 0 H TYR A 58 -5.898 -3.767 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.549 -1.701 -7.086 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.715 -4.730 -7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.704 -3.797 -6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.427 -2.222 -7.060 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.183 -4.749 -9.655 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.063 -1.836 -8.849 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.811 -4.355 -11.450 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.635 -2.127 -11.837 1.00 0.00 H new ATOM 858 N CYS A 59 -6.378 -1.755 -4.923 1.00 0.00 N ATOM 859 CA CYS A 59 -5.699 -1.743 -3.633 1.00 0.00 C ATOM 860 C CYS A 59 -5.949 -3.043 -2.874 1.00 0.00 C ATOM 861 O CYS A 59 -6.936 -3.743 -3.101 1.00 0.00 O ATOM 862 CB CYS A 59 -6.170 -0.552 -2.796 1.00 0.00 C ATOM 863 SG CYS A 59 -7.676 -0.876 -1.824 1.00 0.00 S ATOM 0 H CYS A 59 -6.880 -0.895 -5.143 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.628 -1.650 -3.815 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.369 -0.259 -2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.353 0.294 -3.458 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.714 -0.837 -2.606 1.00 0.00 H new ATOM 868 N PRO A 60 -5.034 -3.374 -1.951 1.00 0.00 N ATOM 869 CA PRO A 60 -5.134 -4.591 -1.139 1.00 0.00 C ATOM 870 C PRO A 60 -6.273 -4.521 -0.128 1.00 0.00 C ATOM 871 O PRO A 60 -6.651 -5.530 0.469 1.00 0.00 O ATOM 872 CB PRO A 60 -3.784 -4.649 -0.420 1.00 0.00 C ATOM 873 CG PRO A 60 -3.319 -3.235 -0.372 1.00 0.00 C ATOM 874 CD PRO A 60 -3.833 -2.587 -1.628 1.00 0.00 C ATOM 0 HA PRO A 60 -5.347 -5.470 -1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.887 -5.066 0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.076 -5.280 -0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.702 -2.728 0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.231 -3.183 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.072 -1.536 -1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.097 -2.628 -2.431 1.00 0.00 H new ATOM 882 N LYS A 61 -6.818 -3.324 0.061 1.00 0.00 N ATOM 883 CA LYS A 61 -7.916 -3.122 0.999 1.00 0.00 C ATOM 884 C LYS A 61 -9.247 -3.530 0.375 1.00 0.00 C ATOM 885 O LYS A 61 -10.184 -3.907 1.078 1.00 0.00 O ATOM 886 CB LYS A 61 -7.975 -1.658 1.439 1.00 0.00 C ATOM 887 CG LYS A 61 -8.387 -1.475 2.890 1.00 0.00 C ATOM 888 CD LYS A 61 -8.726 -0.025 3.195 1.00 0.00 C ATOM 889 CE LYS A 61 -10.159 0.305 2.809 1.00 0.00 C ATOM 890 NZ LYS A 61 -10.322 1.743 2.460 1.00 0.00 N ATOM 0 H LYS A 61 -6.517 -2.478 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.736 -3.750 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.997 -1.202 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.678 -1.123 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.250 -2.105 3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.579 -1.806 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.581 0.168 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.043 0.631 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.458 -0.311 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.825 0.054 3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.313 1.928 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.061 2.330 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.706 1.977 1.655 1.00 0.00 H new ATOM 904 N CYS A 62 -9.322 -3.453 -0.950 1.00 0.00 N ATOM 905 CA CYS A 62 -10.538 -3.815 -1.669 1.00 0.00 C ATOM 906 C CYS A 62 -10.467 -5.256 -2.166 1.00 0.00 C ATOM 907 O CYS A 62 -11.405 -6.033 -1.984 1.00 0.00 O ATOM 908 CB CYS A 62 -10.758 -2.867 -2.850 1.00 0.00 C ATOM 909 SG CYS A 62 -11.218 -1.172 -2.367 1.00 0.00 S ATOM 0 H CYS A 62 -8.555 -3.143 -1.547 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.378 -3.728 -0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.846 -2.829 -3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.540 -3.276 -3.490 1.00 0.00 H new ATOM 0 HG CYS A 62 -12.223 -0.773 -3.089 1.00 0.00 H new ATOM 914 N ARG A 63 -9.348 -5.606 -2.792 1.00 0.00 N ATOM 915 CA ARG A 63 -9.155 -6.953 -3.316 1.00 0.00 C ATOM 916 C ARG A 63 -9.340 -7.995 -2.217 1.00 0.00 C ATOM 917 O ARG A 63 -9.816 -9.101 -2.470 1.00 0.00 O ATOM 918 CB ARG A 63 -7.762 -7.088 -3.933 1.00 0.00 C ATOM 919 CG ARG A 63 -6.642 -7.124 -2.905 1.00 0.00 C ATOM 920 CD ARG A 63 -6.323 -8.548 -2.478 1.00 0.00 C ATOM 921 NE ARG A 63 -5.730 -9.325 -3.563 1.00 0.00 N ATOM 922 CZ ARG A 63 -5.790 -10.650 -3.637 1.00 0.00 C ATOM 923 NH1 ARG A 63 -6.414 -11.342 -2.693 1.00 0.00 N ATOM 924 NH2 ARG A 63 -5.226 -11.286 -4.656 1.00 0.00 N ATOM 0 H ARG A 63 -8.562 -4.976 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.905 -7.127 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.725 -7.999 -4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.593 -6.254 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.749 -6.659 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.929 -6.537 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.638 -8.527 -1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.236 -9.038 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.243 -8.823 -4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.849 -10.857 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.459 -12.359 -2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.745 -10.757 -5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.273 -12.303 -4.711 1.00 0.00 H new