USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=18 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 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 19 CYS SG : rot 169:sc= 0.756 USER MOD Set 2.2: A 21 CYS SG : rot -67:sc= -1.17 USER MOD Set 2.3: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.4: A 29 MET CE :methyl 137:sc= -2 (180deg=-0.25) USER MOD Set 2.5: A 43 HIS : no HD1:sc= -2.14 X(o=-4.6,f=-4.9) USER MOD Set 2.6: A 46 CYS SG : rot 179:sc= 0 USER MOD Set 3.1: A 32 CYS SG : rot -150:sc= -1 USER MOD Set 3.2: A 34 ASN : amide:sc= -0.508 X(o=1.2,f=1.5) USER MOD Set 3.3: A 37 CYS SG : rot 94:sc= 0.0678 USER MOD Set 3.4: A 59 CYS SG : rot -62:sc= 0.881 USER MOD Set 3.5: A 62 CYS SG : rot 65:sc= 1.74 USER MOD Set 4.1: A 17 THR OG1 : rot -120:sc= 0.714 USER MOD Set 4.2: A 22 ASN : amide:sc= 0.809 X(o=1.5,f=1.4) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.559 K(o=-0.56,f=-3.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -1.52 F(o=-2.8!,f=-1.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -64:sc= 0.114 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.574 16.188 4.788 1.00 0.00 N ATOM 186 CA PRO A 16 -4.301 14.959 5.119 1.00 0.00 C ATOM 187 C PRO A 16 -3.508 13.705 4.767 1.00 0.00 C ATOM 188 O PRO A 16 -2.405 13.786 4.226 1.00 0.00 O ATOM 189 CB PRO A 16 -5.565 15.052 4.261 1.00 0.00 C ATOM 190 CG PRO A 16 -5.181 15.921 3.114 1.00 0.00 C ATOM 191 CD PRO A 16 -4.185 16.908 3.657 1.00 0.00 C ATOM 0 HA PRO A 16 -4.501 14.878 6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.886 14.067 3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.394 15.482 4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.746 15.332 2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.052 16.432 2.703 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.443 17.184 2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.668 17.830 3.981 1.00 0.00 H new ATOM 199 N THR A 17 -4.078 12.544 5.076 1.00 0.00 N ATOM 200 CA THR A 17 -3.425 11.272 4.792 1.00 0.00 C ATOM 201 C THR A 17 -4.301 10.389 3.912 1.00 0.00 C ATOM 202 O THR A 17 -5.525 10.523 3.902 1.00 0.00 O ATOM 203 CB THR A 17 -3.088 10.512 6.089 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.288 10.017 6.692 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.356 11.415 7.071 1.00 0.00 C ATOM 0 H THR A 17 -4.991 12.459 5.523 1.00 0.00 H new ATOM 0 HA THR A 17 -2.500 11.502 4.264 1.00 0.00 H new ATOM 0 HB THR A 17 -2.437 9.675 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.384 10.398 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.129 10.856 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.428 11.767 6.620 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.986 12.269 7.319 1.00 0.00 H new ATOM 213 N TYR A 18 -3.668 9.484 3.173 1.00 0.00 N ATOM 214 CA TYR A 18 -4.390 8.579 2.288 1.00 0.00 C ATOM 215 C TYR A 18 -3.891 7.146 2.448 1.00 0.00 C ATOM 216 O TYR A 18 -4.671 6.229 2.708 1.00 0.00 O ATOM 217 CB TYR A 18 -4.236 9.025 0.832 1.00 0.00 C ATOM 218 CG TYR A 18 -4.815 10.393 0.554 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.250 11.535 1.109 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.927 10.545 -0.266 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.777 12.787 0.858 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.459 11.794 -0.524 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.881 12.911 0.041 1.00 0.00 C ATOM 224 OH TYR A 18 -6.407 14.157 -0.213 1.00 0.00 O ATOM 0 H TYR A 18 -2.656 9.358 3.170 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.445 8.610 2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.178 9.028 0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.722 8.295 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.384 11.442 1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.383 9.672 -0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.327 13.664 1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.323 11.895 -1.165 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.181 14.070 -0.807 1.00 0.00 H new ATOM 234 N CYS A 19 -2.584 6.961 2.291 1.00 0.00 N ATOM 235 CA CYS A 19 -1.978 5.642 2.418 1.00 0.00 C ATOM 236 C CYS A 19 -2.314 5.016 3.769 1.00 0.00 C ATOM 237 O CYS A 19 -2.805 5.692 4.674 1.00 0.00 O ATOM 238 CB CYS A 19 -0.460 5.737 2.253 1.00 0.00 C ATOM 239 SG CYS A 19 0.356 4.138 1.940 1.00 0.00 S ATOM 0 H CYS A 19 -1.925 7.709 2.076 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.384 5.007 1.631 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.237 6.414 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.034 6.180 3.154 1.00 0.00 H new ATOM 0 HG CYS A 19 1.591 4.342 1.591 1.00 0.00 H new ATOM 244 N LEU A 20 -2.048 3.721 3.897 1.00 0.00 N ATOM 245 CA LEU A 20 -2.322 3.002 5.137 1.00 0.00 C ATOM 246 C LEU A 20 -1.484 3.557 6.284 1.00 0.00 C ATOM 247 O LEU A 20 -1.980 3.742 7.396 1.00 0.00 O ATOM 248 CB LEU A 20 -2.038 1.510 4.958 1.00 0.00 C ATOM 249 CG LEU A 20 -2.755 0.825 3.794 1.00 0.00 C ATOM 250 CD1 LEU A 20 -1.921 -0.328 3.257 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.129 0.334 4.228 1.00 0.00 C ATOM 0 H LEU A 20 -1.643 3.147 3.158 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.375 3.138 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.964 1.378 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.310 0.996 5.880 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.887 1.554 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.447 -0.803 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.960 0.050 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.757 -1.058 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.625 -0.151 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.019 -0.379 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.728 1.180 4.564 1.00 0.00 H new ATOM 263 N CYS A 21 -0.212 3.823 6.007 1.00 0.00 N ATOM 264 CA CYS A 21 0.695 4.358 7.014 1.00 0.00 C ATOM 265 C CYS A 21 0.218 5.722 7.506 1.00 0.00 C ATOM 266 O CYS A 21 0.753 6.267 8.471 1.00 0.00 O ATOM 267 CB CYS A 21 2.111 4.475 6.446 1.00 0.00 C ATOM 268 SG CYS A 21 2.246 5.591 5.012 1.00 0.00 S ATOM 0 H CYS A 21 0.214 3.676 5.092 1.00 0.00 H new ATOM 0 HA CYS A 21 0.706 3.670 7.859 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.778 4.828 7.232 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.458 3.483 6.155 1.00 0.00 H new ATOM 0 HG CYS A 21 1.607 5.079 4.002 1.00 0.00 H new ATOM 273 N ASN A 22 -0.792 6.267 6.835 1.00 0.00 N ATOM 274 CA ASN A 22 -1.341 7.567 7.203 1.00 0.00 C ATOM 275 C ASN A 22 -0.290 8.663 7.054 1.00 0.00 C ATOM 276 O ASN A 22 -0.041 9.427 7.985 1.00 0.00 O ATOM 277 CB ASN A 22 -1.861 7.535 8.642 1.00 0.00 C ATOM 278 CG ASN A 22 -3.236 6.904 8.746 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.382 5.786 9.241 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.252 7.620 8.278 1.00 0.00 N ATOM 0 H ASN A 22 -1.247 5.829 6.034 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.169 7.788 6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.161 6.979 9.266 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.900 8.551 9.034 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.201 7.248 8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.084 8.542 7.876 1.00 0.00 H new ATOM 287 N GLN A 23 0.321 8.733 5.876 1.00 0.00 N ATOM 288 CA GLN A 23 1.344 9.736 5.605 1.00 0.00 C ATOM 289 C GLN A 23 0.976 10.574 4.385 1.00 0.00 C ATOM 290 O GLN A 23 0.196 10.143 3.535 1.00 0.00 O ATOM 291 CB GLN A 23 2.701 9.064 5.386 1.00 0.00 C ATOM 292 CG GLN A 23 3.416 8.701 6.677 1.00 0.00 C ATOM 293 CD GLN A 23 4.012 9.909 7.373 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.505 11.024 7.250 1.00 0.00 O ATOM 295 NE2 GLN A 23 5.094 9.692 8.112 1.00 0.00 N ATOM 0 H GLN A 23 0.126 8.108 5.094 1.00 0.00 H new ATOM 0 HA GLN A 23 1.408 10.396 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.558 8.160 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.337 9.730 4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.715 8.208 7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.208 7.984 6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.481 8.751 8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.538 10.466 8.606 1.00 0.00 H new ATOM 304 N VAL A 24 1.541 11.775 4.306 1.00 0.00 N ATOM 305 CA VAL A 24 1.272 12.674 3.190 1.00 0.00 C ATOM 306 C VAL A 24 1.711 12.055 1.868 1.00 0.00 C ATOM 307 O VAL A 24 2.715 11.345 1.806 1.00 0.00 O ATOM 308 CB VAL A 24 1.987 14.026 3.374 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.463 14.743 4.609 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.492 13.825 3.462 1.00 0.00 C ATOM 0 H VAL A 24 2.188 12.148 5.001 1.00 0.00 H new ATOM 0 HA VAL A 24 0.195 12.841 3.170 1.00 0.00 H new ATOM 0 HB VAL A 24 1.777 14.650 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.980 15.696 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.393 14.921 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.640 14.127 5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.981 14.790 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.724 13.183 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.851 13.357 2.545 1.00 0.00 H new ATOM 320 N SER A 25 0.953 12.329 0.811 1.00 0.00 N ATOM 321 CA SER A 25 1.262 11.796 -0.511 1.00 0.00 C ATOM 322 C SER A 25 2.675 12.183 -0.935 1.00 0.00 C ATOM 323 O SER A 25 3.099 13.325 -0.755 1.00 0.00 O ATOM 324 CB SER A 25 0.251 12.308 -1.539 1.00 0.00 C ATOM 325 OG SER A 25 0.621 13.585 -2.027 1.00 0.00 O ATOM 0 H SER A 25 0.120 12.917 0.844 1.00 0.00 H new ATOM 0 HA SER A 25 1.201 10.709 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.183 11.604 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.738 12.362 -1.085 1.00 0.00 H new ATOM 0 HG SER A 25 -0.040 13.889 -2.683 1.00 0.00 H new ATOM 331 N TYR A 26 3.400 11.223 -1.500 1.00 0.00 N ATOM 332 CA TYR A 26 4.766 11.461 -1.949 1.00 0.00 C ATOM 333 C TYR A 26 5.252 10.324 -2.843 1.00 0.00 C ATOM 334 O TYR A 26 4.550 9.333 -3.042 1.00 0.00 O ATOM 335 CB TYR A 26 5.700 11.614 -0.747 1.00 0.00 C ATOM 336 CG TYR A 26 5.629 10.459 0.227 1.00 0.00 C ATOM 337 CD1 TYR A 26 5.955 9.169 -0.172 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.235 10.658 1.544 1.00 0.00 C ATOM 339 CE1 TYR A 26 5.891 8.110 0.714 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.169 9.606 2.437 1.00 0.00 C ATOM 341 CZ TYR A 26 5.498 8.334 2.017 1.00 0.00 C ATOM 342 OH TYR A 26 5.432 7.283 2.903 1.00 0.00 O ATOM 0 H TYR A 26 3.064 10.273 -1.658 1.00 0.00 H new ATOM 0 HA TYR A 26 4.775 12.384 -2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.725 11.714 -1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.454 12.537 -0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.264 8.991 -1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.976 11.653 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.147 7.113 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.862 9.778 3.458 1.00 0.00 H new ATOM 0 HH TYR A 26 5.139 7.611 3.779 1.00 0.00 H new ATOM 352 N GLY A 27 6.460 10.475 -3.378 1.00 0.00 N ATOM 353 CA GLY A 27 7.020 9.454 -4.244 1.00 0.00 C ATOM 354 C GLY A 27 6.007 8.914 -5.234 1.00 0.00 C ATOM 355 O GLY A 27 5.144 9.650 -5.712 1.00 0.00 O ATOM 0 H GLY A 27 7.060 11.286 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.869 9.869 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.401 8.634 -3.635 1.00 0.00 H new ATOM 359 N GLU A 28 6.114 7.626 -5.544 1.00 0.00 N ATOM 360 CA GLU A 28 5.201 6.990 -6.487 1.00 0.00 C ATOM 361 C GLU A 28 3.940 6.504 -5.779 1.00 0.00 C ATOM 362 O GLU A 28 4.011 5.855 -4.736 1.00 0.00 O ATOM 363 CB GLU A 28 5.891 5.816 -7.186 1.00 0.00 C ATOM 364 CG GLU A 28 6.918 6.242 -8.221 1.00 0.00 C ATOM 365 CD GLU A 28 7.822 7.353 -7.722 1.00 0.00 C ATOM 366 OE1 GLU A 28 8.683 7.076 -6.861 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.668 8.499 -8.194 1.00 0.00 O ATOM 0 H GLU A 28 6.823 7.003 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 28 4.915 7.731 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.380 5.194 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.135 5.197 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.526 5.381 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.404 6.574 -9.123 1.00 0.00 H new ATOM 374 N MET A 29 2.785 6.825 -6.354 1.00 0.00 N ATOM 375 CA MET A 29 1.507 6.422 -5.778 1.00 0.00 C ATOM 376 C MET A 29 0.523 6.016 -6.871 1.00 0.00 C ATOM 377 O MET A 29 0.454 6.651 -7.923 1.00 0.00 O ATOM 378 CB MET A 29 0.918 7.559 -4.942 1.00 0.00 C ATOM 379 CG MET A 29 1.472 7.623 -3.527 1.00 0.00 C ATOM 380 SD MET A 29 0.793 8.997 -2.577 1.00 0.00 S ATOM 381 CE MET A 29 -0.234 8.120 -1.401 1.00 0.00 C ATOM 0 H MET A 29 2.708 7.362 -7.217 1.00 0.00 H new ATOM 0 HA MET A 29 1.683 5.561 -5.133 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.114 8.507 -5.443 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.165 7.441 -4.895 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.253 6.687 -3.013 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.557 7.717 -3.570 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.107 8.556 -0.410 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.279 8.199 -1.701 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.058 7.070 -1.375 1.00 0.00 H new ATOM 391 N ILE A 30 -0.235 4.955 -6.614 1.00 0.00 N ATOM 392 CA ILE A 30 -1.215 4.466 -7.576 1.00 0.00 C ATOM 393 C ILE A 30 -2.636 4.771 -7.115 1.00 0.00 C ATOM 394 O ILE A 30 -2.884 4.982 -5.928 1.00 0.00 O ATOM 395 CB ILE A 30 -1.074 2.949 -7.801 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.691 2.178 -6.633 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.390 2.574 -7.977 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.703 1.851 -5.535 1.00 0.00 C ATOM 0 H ILE A 30 -0.189 4.418 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.021 4.984 -8.516 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.610 2.680 -8.711 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.508 2.764 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.124 1.251 -7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.474 1.499 -8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.799 3.100 -8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.947 2.854 -7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.210 1.304 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.102 1.238 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.288 2.775 -5.132 1.00 0.00 H new ATOM 410 N GLY A 31 -3.569 4.789 -8.062 1.00 0.00 N ATOM 411 CA GLY A 31 -4.955 5.066 -7.734 1.00 0.00 C ATOM 412 C GLY A 31 -5.826 3.827 -7.801 1.00 0.00 C ATOM 413 O GLY A 31 -6.114 3.320 -8.886 1.00 0.00 O ATOM 0 H GLY A 31 -3.389 4.617 -9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.010 5.491 -6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.344 5.818 -8.421 1.00 0.00 H new ATOM 417 N CYS A 32 -6.246 3.337 -6.640 1.00 0.00 N ATOM 418 CA CYS A 32 -7.087 2.149 -6.570 1.00 0.00 C ATOM 419 C CYS A 32 -8.226 2.228 -7.582 1.00 0.00 C ATOM 420 O CYS A 32 -9.126 3.059 -7.456 1.00 0.00 O ATOM 421 CB CYS A 32 -7.655 1.982 -5.159 1.00 0.00 C ATOM 422 SG CYS A 32 -8.885 0.647 -5.005 1.00 0.00 S ATOM 0 H CYS A 32 -6.017 3.745 -5.734 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.470 1.284 -6.811 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.834 1.786 -4.469 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.114 2.921 -4.850 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.735 0.946 -4.068 1.00 0.00 H new ATOM 427 N ASP A 33 -8.180 1.359 -8.586 1.00 0.00 N ATOM 428 CA ASP A 33 -9.209 1.329 -9.619 1.00 0.00 C ATOM 429 C ASP A 33 -10.592 1.556 -9.017 1.00 0.00 C ATOM 430 O ASP A 33 -11.428 2.243 -9.600 1.00 0.00 O ATOM 431 CB ASP A 33 -9.175 -0.007 -10.363 1.00 0.00 C ATOM 432 CG ASP A 33 -8.257 0.024 -11.569 1.00 0.00 C ATOM 433 OD1 ASP A 33 -7.109 0.496 -11.429 1.00 0.00 O ATOM 434 OD2 ASP A 33 -8.686 -0.424 -12.653 1.00 0.00 O ATOM 0 H ASP A 33 -7.441 0.666 -8.706 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.004 2.134 -10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.847 -0.791 -9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.184 -0.266 -10.685 1.00 0.00 H new ATOM 439 N ASN A 34 -10.824 0.972 -7.846 1.00 0.00 N ATOM 440 CA ASN A 34 -12.107 1.109 -7.165 1.00 0.00 C ATOM 441 C ASN A 34 -12.362 2.561 -6.773 1.00 0.00 C ATOM 442 O ASN A 34 -11.737 3.084 -5.851 1.00 0.00 O ATOM 443 CB ASN A 34 -12.145 0.219 -5.921 1.00 0.00 C ATOM 444 CG ASN A 34 -13.535 0.122 -5.322 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.495 -0.229 -6.007 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.647 0.435 -4.036 1.00 0.00 N ATOM 0 H ASN A 34 -10.141 0.400 -7.349 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.891 0.794 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.794 -0.780 -6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.457 0.614 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.557 0.389 -3.577 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.823 0.721 -3.507 1.00 0.00 H new ATOM 453 N GLU A 35 -13.286 3.205 -7.480 1.00 0.00 N ATOM 454 CA GLU A 35 -13.623 4.597 -7.206 1.00 0.00 C ATOM 455 C GLU A 35 -14.085 4.770 -5.762 1.00 0.00 C ATOM 456 O GLU A 35 -13.523 5.568 -5.012 1.00 0.00 O ATOM 457 CB GLU A 35 -14.715 5.078 -8.163 1.00 0.00 C ATOM 458 CG GLU A 35 -14.180 5.586 -9.491 1.00 0.00 C ATOM 459 CD GLU A 35 -15.250 6.251 -10.336 1.00 0.00 C ATOM 460 OE1 GLU A 35 -16.185 5.546 -10.770 1.00 0.00 O ATOM 461 OE2 GLU A 35 -15.152 7.475 -10.562 1.00 0.00 O ATOM 0 H GLU A 35 -13.814 2.785 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.726 5.198 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.409 4.259 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.284 5.874 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.375 6.297 -9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.749 4.754 -10.047 1.00 0.00 H new ATOM 468 N GLN A 36 -15.112 4.017 -5.381 1.00 0.00 N ATOM 469 CA GLN A 36 -15.650 4.089 -4.027 1.00 0.00 C ATOM 470 C GLN A 36 -14.539 4.339 -3.012 1.00 0.00 C ATOM 471 O GLN A 36 -14.701 5.128 -2.081 1.00 0.00 O ATOM 472 CB GLN A 36 -16.391 2.796 -3.682 1.00 0.00 C ATOM 473 CG GLN A 36 -17.008 2.802 -2.293 1.00 0.00 C ATOM 474 CD GLN A 36 -16.052 2.304 -1.227 1.00 0.00 C ATOM 475 OE1 GLN A 36 -15.685 3.183 -0.303 1.00 0.00 O flip ATOM 476 NE2 GLN A 36 -15.647 1.141 -1.235 1.00 0.00 N flip ATOM 0 H GLN A 36 -15.588 3.351 -5.990 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.350 4.924 -3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -17.177 2.629 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.698 1.958 -3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.326 3.815 -2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.902 2.178 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.955 0.499 -1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.003 0.820 -0.512 1.00 0.00 H new ATOM 485 N CYS A 37 -13.411 3.662 -3.199 1.00 0.00 N ATOM 486 CA CYS A 37 -12.273 3.810 -2.299 1.00 0.00 C ATOM 487 C CYS A 37 -12.071 5.272 -1.913 1.00 0.00 C ATOM 488 O CYS A 37 -11.717 6.115 -2.738 1.00 0.00 O ATOM 489 CB CYS A 37 -11.003 3.265 -2.956 1.00 0.00 C ATOM 490 SG CYS A 37 -9.803 2.560 -1.781 1.00 0.00 S ATOM 0 H CYS A 37 -13.260 3.006 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.481 3.239 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.281 2.498 -3.679 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.521 4.069 -3.513 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.990 1.277 -1.687 1.00 0.00 H new ATOM 495 N PRO A 38 -12.301 5.582 -0.628 1.00 0.00 N ATOM 496 CA PRO A 38 -12.150 6.942 -0.103 1.00 0.00 C ATOM 497 C PRO A 38 -10.692 7.385 -0.050 1.00 0.00 C ATOM 498 O PRO A 38 -10.392 8.523 0.310 1.00 0.00 O ATOM 499 CB PRO A 38 -12.730 6.842 1.310 1.00 0.00 C ATOM 500 CG PRO A 38 -12.571 5.409 1.685 1.00 0.00 C ATOM 501 CD PRO A 38 -12.726 4.628 0.410 1.00 0.00 C ATOM 0 HA PRO A 38 -12.648 7.680 -0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.198 7.494 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.778 7.142 1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.595 5.230 2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.321 5.112 2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.106 3.732 0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.756 4.303 0.260 1.00 0.00 H new ATOM 509 N ILE A 39 -9.790 6.478 -0.411 1.00 0.00 N ATOM 510 CA ILE A 39 -8.364 6.777 -0.406 1.00 0.00 C ATOM 511 C ILE A 39 -7.813 6.853 -1.826 1.00 0.00 C ATOM 512 O ILE A 39 -7.142 7.818 -2.190 1.00 0.00 O ATOM 513 CB ILE A 39 -7.570 5.719 0.384 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.135 5.578 1.799 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.095 6.090 0.432 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.595 4.379 2.548 1.00 0.00 C ATOM 0 H ILE A 39 -10.022 5.531 -0.710 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.247 7.746 0.079 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.667 4.759 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.908 6.482 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.221 5.502 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.547 5.333 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.701 6.145 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.979 7.058 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.038 4.342 3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.845 3.468 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.512 4.463 2.636 1.00 0.00 H new ATOM 528 N GLU A 40 -8.103 5.830 -2.623 1.00 0.00 N ATOM 529 CA GLU A 40 -7.638 5.783 -4.004 1.00 0.00 C ATOM 530 C GLU A 40 -6.246 6.396 -4.130 1.00 0.00 C ATOM 531 O GLU A 40 -5.938 7.064 -5.117 1.00 0.00 O ATOM 532 CB GLU A 40 -8.616 6.520 -4.921 1.00 0.00 C ATOM 533 CG GLU A 40 -9.706 5.628 -5.491 1.00 0.00 C ATOM 534 CD GLU A 40 -10.239 6.134 -6.818 1.00 0.00 C ATOM 535 OE1 GLU A 40 -10.803 7.248 -6.844 1.00 0.00 O ATOM 536 OE2 GLU A 40 -10.094 5.416 -7.829 1.00 0.00 O ATOM 0 H GLU A 40 -8.657 5.023 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.585 4.737 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.079 7.335 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.060 6.971 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.314 4.620 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.526 5.561 -4.776 1.00 0.00 H new ATOM 543 N TRP A 41 -5.410 6.162 -3.125 1.00 0.00 N ATOM 544 CA TRP A 41 -4.051 6.691 -3.122 1.00 0.00 C ATOM 545 C TRP A 41 -3.173 5.931 -2.135 1.00 0.00 C ATOM 546 O TRP A 41 -3.420 5.946 -0.929 1.00 0.00 O ATOM 547 CB TRP A 41 -4.062 8.180 -2.771 1.00 0.00 C ATOM 548 CG TRP A 41 -4.688 9.036 -3.831 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.820 9.790 -3.713 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.217 9.222 -5.170 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.081 10.434 -4.898 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.112 10.103 -5.808 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.126 8.732 -5.893 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.948 10.502 -7.132 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.964 9.129 -7.206 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.871 10.007 -7.815 1.00 0.00 C ATOM 0 H TRP A 41 -5.649 5.609 -2.302 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.636 6.563 -4.122 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.602 8.321 -1.835 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.038 8.514 -2.602 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.422 9.869 -2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.869 11.058 -5.072 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.422 8.055 -5.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.646 11.178 -7.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.124 8.756 -7.773 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.717 10.298 -8.843 1.00 0.00 H new ATOM 567 N PHE A 42 -2.146 5.265 -2.654 1.00 0.00 N ATOM 568 CA PHE A 42 -1.231 4.497 -1.818 1.00 0.00 C ATOM 569 C PHE A 42 0.189 4.553 -2.372 1.00 0.00 C ATOM 570 O PHE A 42 0.393 4.743 -3.572 1.00 0.00 O ATOM 571 CB PHE A 42 -1.695 3.043 -1.719 1.00 0.00 C ATOM 572 CG PHE A 42 -3.094 2.894 -1.192 1.00 0.00 C ATOM 573 CD1 PHE A 42 -3.337 2.892 0.173 1.00 0.00 C ATOM 574 CD2 PHE A 42 -4.165 2.757 -2.059 1.00 0.00 C ATOM 575 CE1 PHE A 42 -4.622 2.755 0.661 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.453 2.619 -1.577 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.682 2.619 -0.215 1.00 0.00 C ATOM 0 H PHE A 42 -1.927 5.242 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.231 4.939 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.636 2.583 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.011 2.495 -1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.513 2.999 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.992 2.758 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.798 2.754 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.279 2.511 -2.264 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.687 2.513 0.165 1.00 0.00 H new ATOM 587 N HIS A 43 1.169 4.388 -1.489 1.00 0.00 N ATOM 588 CA HIS A 43 2.572 4.419 -1.889 1.00 0.00 C ATOM 589 C HIS A 43 3.000 3.078 -2.476 1.00 0.00 C ATOM 590 O HIS A 43 2.296 2.076 -2.341 1.00 0.00 O ATOM 591 CB HIS A 43 3.457 4.772 -0.694 1.00 0.00 C ATOM 592 CG HIS A 43 3.006 5.993 0.047 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.877 6.036 1.419 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.654 7.220 -0.402 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.463 7.237 1.782 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.321 7.975 0.696 1.00 0.00 N ATOM 0 H HIS A 43 1.018 4.232 -0.492 1.00 0.00 H new ATOM 0 HA HIS A 43 2.688 5.184 -2.656 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.478 3.927 -0.006 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.479 4.925 -1.042 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.638 7.545 -1.432 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.273 7.560 2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.014 8.947 0.676 1.00 0.00 H new ATOM 604 N PHE A 44 4.157 3.065 -3.130 1.00 0.00 N ATOM 605 CA PHE A 44 4.677 1.847 -3.739 1.00 0.00 C ATOM 606 C PHE A 44 5.373 0.973 -2.699 1.00 0.00 C ATOM 607 O PHE A 44 4.992 -0.178 -2.486 1.00 0.00 O ATOM 608 CB PHE A 44 5.653 2.192 -4.866 1.00 0.00 C ATOM 609 CG PHE A 44 5.001 2.285 -6.216 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.918 3.125 -6.420 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.471 1.533 -7.281 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.315 3.213 -7.661 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.872 1.617 -8.524 1.00 0.00 C ATOM 614 CZ PHE A 44 3.794 2.458 -8.714 1.00 0.00 C ATOM 0 H PHE A 44 4.752 3.884 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 44 3.836 1.290 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.137 3.142 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.437 1.435 -4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.541 3.718 -5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.315 0.874 -7.138 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.471 3.871 -7.807 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.247 1.025 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.326 2.526 -9.685 1.00 0.00 H new ATOM 624 N SER A 45 6.394 1.528 -2.056 1.00 0.00 N ATOM 625 CA SER A 45 7.146 0.799 -1.041 1.00 0.00 C ATOM 626 C SER A 45 6.205 0.105 -0.061 1.00 0.00 C ATOM 627 O SER A 45 6.403 -1.058 0.291 1.00 0.00 O ATOM 628 CB SER A 45 8.078 1.749 -0.286 1.00 0.00 C ATOM 629 OG SER A 45 9.066 1.030 0.432 1.00 0.00 O ATOM 0 H SER A 45 6.720 2.481 -2.219 1.00 0.00 H new ATOM 0 HA SER A 45 7.744 0.038 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.558 2.429 -0.990 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.497 2.362 0.403 1.00 0.00 H new ATOM 0 HG SER A 45 9.650 1.659 0.905 1.00 0.00 H new ATOM 635 N CYS A 46 5.179 0.828 0.376 1.00 0.00 N ATOM 636 CA CYS A 46 4.206 0.285 1.316 1.00 0.00 C ATOM 637 C CYS A 46 3.509 -0.940 0.731 1.00 0.00 C ATOM 638 O CYS A 46 3.437 -1.991 1.368 1.00 0.00 O ATOM 639 CB CYS A 46 3.168 1.349 1.680 1.00 0.00 C ATOM 640 SG CYS A 46 3.686 2.462 3.027 1.00 0.00 S ATOM 0 H CYS A 46 5.000 1.792 0.094 1.00 0.00 H new ATOM 0 HA CYS A 46 4.739 -0.017 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.948 1.945 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.241 0.853 1.969 1.00 0.00 H new ATOM 0 HG CYS A 46 2.752 3.338 3.249 1.00 0.00 H new ATOM 645 N VAL A 47 2.998 -0.798 -0.488 1.00 0.00 N ATOM 646 CA VAL A 47 2.309 -1.892 -1.161 1.00 0.00 C ATOM 647 C VAL A 47 3.298 -2.820 -1.856 1.00 0.00 C ATOM 648 O VAL A 47 2.957 -3.491 -2.830 1.00 0.00 O ATOM 649 CB VAL A 47 1.299 -1.366 -2.198 1.00 0.00 C ATOM 650 CG1 VAL A 47 0.214 -0.545 -1.519 1.00 0.00 C ATOM 651 CG2 VAL A 47 2.010 -0.547 -3.265 1.00 0.00 C ATOM 0 H VAL A 47 3.048 0.065 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 47 1.773 -2.448 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 47 0.825 -2.219 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.490 -0.182 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.314 -1.167 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.667 0.303 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.282 -0.183 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.512 0.300 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.746 -1.171 -3.772 1.00 0.00 H new ATOM 661 N SER A 48 4.527 -2.853 -1.350 1.00 0.00 N ATOM 662 CA SER A 48 5.568 -3.697 -1.924 1.00 0.00 C ATOM 663 C SER A 48 5.544 -3.627 -3.448 1.00 0.00 C ATOM 664 O SER A 48 5.485 -4.653 -4.127 1.00 0.00 O ATOM 665 CB SER A 48 5.392 -5.145 -1.465 1.00 0.00 C ATOM 666 OG SER A 48 6.524 -5.928 -1.802 1.00 0.00 O ATOM 0 H SER A 48 4.826 -2.305 -0.543 1.00 0.00 H new ATOM 0 HA SER A 48 6.533 -3.329 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.236 -5.171 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.501 -5.570 -1.927 1.00 0.00 H new ATOM 0 HG SER A 48 6.612 -5.974 -2.777 1.00 0.00 H new ATOM 672 N LEU A 49 5.591 -2.411 -3.979 1.00 0.00 N ATOM 673 CA LEU A 49 5.574 -2.205 -5.423 1.00 0.00 C ATOM 674 C LEU A 49 6.898 -1.618 -5.905 1.00 0.00 C ATOM 675 O LEU A 49 7.251 -0.490 -5.560 1.00 0.00 O ATOM 676 CB LEU A 49 4.421 -1.280 -5.814 1.00 0.00 C ATOM 677 CG LEU A 49 3.107 -1.966 -6.189 1.00 0.00 C ATOM 678 CD1 LEU A 49 2.008 -0.937 -6.401 1.00 0.00 C ATOM 679 CD2 LEU A 49 3.289 -2.820 -7.436 1.00 0.00 C ATOM 0 H LEU A 49 5.641 -1.552 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 49 5.431 -3.174 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.229 -0.601 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.742 -0.669 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 49 2.812 -2.617 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.081 -1.445 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.860 -0.368 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.294 -0.259 -7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.344 -3.301 -7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.608 -2.189 -8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.045 -3.582 -7.248 1.00 0.00 H new ATOM 691 N THR A 50 7.625 -2.390 -6.706 1.00 0.00 N ATOM 692 CA THR A 50 8.908 -1.947 -7.236 1.00 0.00 C ATOM 693 C THR A 50 8.722 -1.100 -8.489 1.00 0.00 C ATOM 694 O THR A 50 9.510 -0.192 -8.759 1.00 0.00 O ATOM 695 CB THR A 50 9.822 -3.142 -7.568 1.00 0.00 C ATOM 696 OG1 THR A 50 9.942 -3.999 -6.428 1.00 0.00 O ATOM 697 CG2 THR A 50 11.201 -2.665 -7.999 1.00 0.00 C ATOM 0 H THR A 50 7.347 -3.326 -7.002 1.00 0.00 H new ATOM 0 HA THR A 50 9.379 -1.344 -6.460 1.00 0.00 H new ATOM 0 HB THR A 50 9.373 -3.697 -8.392 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.523 -4.757 -6.648 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.829 -3.526 -8.228 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.108 -2.037 -8.885 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.655 -2.089 -7.193 1.00 0.00 H new ATOM 705 N TYR A 51 7.677 -1.400 -9.251 1.00 0.00 N ATOM 706 CA TYR A 51 7.389 -0.667 -10.478 1.00 0.00 C ATOM 707 C TYR A 51 5.898 -0.709 -10.800 1.00 0.00 C ATOM 708 O TYR A 51 5.200 -1.660 -10.446 1.00 0.00 O ATOM 709 CB TYR A 51 8.191 -1.246 -11.644 1.00 0.00 C ATOM 710 CG TYR A 51 8.112 -2.753 -11.744 1.00 0.00 C ATOM 711 CD1 TYR A 51 7.046 -3.371 -12.387 1.00 0.00 C ATOM 712 CD2 TYR A 51 9.103 -3.558 -11.197 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.969 -4.747 -12.480 1.00 0.00 C ATOM 714 CE2 TYR A 51 9.035 -4.935 -11.287 1.00 0.00 C ATOM 715 CZ TYR A 51 7.966 -5.525 -11.929 1.00 0.00 C ATOM 716 OH TYR A 51 7.894 -6.896 -12.021 1.00 0.00 O ATOM 0 H TYR A 51 7.014 -2.146 -9.041 1.00 0.00 H new ATOM 0 HA TYR A 51 7.681 0.372 -10.327 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.830 -0.809 -12.575 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.235 -0.952 -11.538 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.265 -2.765 -12.821 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.941 -3.100 -10.693 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.133 -5.211 -12.981 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.815 -5.546 -10.857 1.00 0.00 H new ATOM 0 HH TYR A 51 8.675 -7.295 -11.583 1.00 0.00 H new ATOM 726 N LYS A 52 5.416 0.328 -11.476 1.00 0.00 N ATOM 727 CA LYS A 52 4.009 0.411 -11.850 1.00 0.00 C ATOM 728 C LYS A 52 3.478 -0.954 -12.276 1.00 0.00 C ATOM 729 O LYS A 52 3.972 -1.572 -13.219 1.00 0.00 O ATOM 730 CB LYS A 52 3.821 1.420 -12.985 1.00 0.00 C ATOM 731 CG LYS A 52 3.502 2.825 -12.504 1.00 0.00 C ATOM 732 CD LYS A 52 2.004 3.047 -12.384 1.00 0.00 C ATOM 733 CE LYS A 52 1.682 4.156 -11.393 1.00 0.00 C ATOM 734 NZ LYS A 52 0.295 4.669 -11.566 1.00 0.00 N ATOM 0 H LYS A 52 5.979 1.123 -11.776 1.00 0.00 H new ATOM 0 HA LYS A 52 3.446 0.744 -10.978 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.729 1.449 -13.588 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.017 1.076 -13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.975 2.995 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.924 3.552 -13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.593 3.300 -13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.522 2.122 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.807 3.782 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.390 4.974 -11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.115 5.423 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.183 5.049 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.383 3.894 -11.419 1.00 0.00 H new ATOM 748 N PRO A 53 2.446 -1.435 -11.567 1.00 0.00 N ATOM 749 CA PRO A 53 1.824 -2.731 -11.855 1.00 0.00 C ATOM 750 C PRO A 53 1.046 -2.722 -13.165 1.00 0.00 C ATOM 751 O PRO A 53 1.024 -1.720 -13.880 1.00 0.00 O ATOM 752 CB PRO A 53 0.877 -2.940 -10.671 1.00 0.00 C ATOM 753 CG PRO A 53 0.567 -1.566 -10.186 1.00 0.00 C ATOM 754 CD PRO A 53 1.808 -0.752 -10.429 1.00 0.00 C ATOM 0 HA PRO A 53 2.565 -3.522 -11.971 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.028 -3.466 -10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.346 -3.539 -9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.286 -1.147 -10.720 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.307 -1.575 -9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.569 0.285 -10.665 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.457 -0.738 -9.554 1.00 0.00 H new ATOM 762 N LYS A 54 0.406 -3.844 -13.476 1.00 0.00 N ATOM 763 CA LYS A 54 -0.377 -3.966 -14.700 1.00 0.00 C ATOM 764 C LYS A 54 -1.433 -2.868 -14.782 1.00 0.00 C ATOM 765 O LYS A 54 -1.537 -2.026 -13.892 1.00 0.00 O ATOM 766 CB LYS A 54 -1.047 -5.340 -14.767 1.00 0.00 C ATOM 767 CG LYS A 54 -2.143 -5.533 -13.733 1.00 0.00 C ATOM 768 CD LYS A 54 -3.521 -5.308 -14.332 1.00 0.00 C ATOM 769 CE LYS A 54 -3.885 -6.404 -15.321 1.00 0.00 C ATOM 770 NZ LYS A 54 -4.576 -7.543 -14.656 1.00 0.00 N ATOM 0 H LYS A 54 0.414 -4.683 -12.896 1.00 0.00 H new ATOM 0 HA LYS A 54 0.300 -3.858 -15.547 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.469 -5.481 -15.762 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.289 -6.112 -14.630 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.084 -6.541 -13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.988 -4.842 -12.904 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.264 -5.274 -13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.547 -4.341 -14.834 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.529 -5.993 -16.099 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.981 -6.764 -15.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.808 -8.269 -15.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.952 -7.952 -13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.451 -7.204 -14.208 1.00 0.00 H new ATOM 784 N GLY A 55 -2.215 -2.885 -15.857 1.00 0.00 N ATOM 785 CA GLY A 55 -3.254 -1.887 -16.034 1.00 0.00 C ATOM 786 C GLY A 55 -4.065 -1.664 -14.773 1.00 0.00 C ATOM 787 O GLY A 55 -3.625 -0.967 -13.858 1.00 0.00 O ATOM 0 H GLY A 55 -2.148 -3.572 -16.608 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.800 -0.945 -16.342 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.919 -2.198 -16.840 1.00 0.00 H new ATOM 791 N LYS A 56 -5.254 -2.256 -14.723 1.00 0.00 N ATOM 792 CA LYS A 56 -6.129 -2.118 -13.566 1.00 0.00 C ATOM 793 C LYS A 56 -5.425 -2.578 -12.293 1.00 0.00 C ATOM 794 O LYS A 56 -4.850 -3.666 -12.249 1.00 0.00 O ATOM 795 CB LYS A 56 -7.412 -2.928 -13.772 1.00 0.00 C ATOM 796 CG LYS A 56 -8.173 -2.551 -15.031 1.00 0.00 C ATOM 797 CD LYS A 56 -9.505 -3.277 -15.115 1.00 0.00 C ATOM 798 CE LYS A 56 -10.498 -2.739 -14.096 1.00 0.00 C ATOM 799 NZ LYS A 56 -11.863 -3.296 -14.304 1.00 0.00 N ATOM 0 H LYS A 56 -5.633 -2.836 -15.471 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.384 -1.064 -13.459 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.160 -3.988 -13.813 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.063 -2.788 -12.909 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.343 -1.474 -15.046 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.571 -2.791 -15.907 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.917 -3.169 -16.118 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.351 -4.343 -14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.155 -2.984 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.535 -1.652 -14.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.510 -2.905 -13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.201 -3.041 -15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.833 -4.332 -14.214 1.00 0.00 H new ATOM 813 N TRP A 57 -5.474 -1.743 -11.261 1.00 0.00 N ATOM 814 CA TRP A 57 -4.841 -2.065 -9.987 1.00 0.00 C ATOM 815 C TRP A 57 -5.769 -1.741 -8.821 1.00 0.00 C ATOM 816 O TRP A 57 -6.231 -0.609 -8.680 1.00 0.00 O ATOM 817 CB TRP A 57 -3.527 -1.297 -9.838 1.00 0.00 C ATOM 818 CG TRP A 57 -2.746 -1.686 -8.620 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.707 -2.570 -8.560 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.944 -1.205 -7.286 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.247 -2.668 -7.269 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.988 -1.840 -6.468 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.833 -0.299 -6.703 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.900 -1.597 -5.100 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.745 -0.059 -5.345 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.784 -0.705 -4.556 1.00 0.00 C ATOM 0 H TRP A 57 -5.945 -0.839 -11.281 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.631 -3.135 -9.974 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.914 -1.466 -10.723 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.741 -0.229 -9.797 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.306 -3.112 -9.403 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.478 -3.261 -6.957 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.576 0.205 -7.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.161 -2.095 -4.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.429 0.638 -4.884 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.740 -0.495 -3.498 1.00 0.00 H new ATOM 837 N TYR A 58 -6.037 -2.741 -7.989 1.00 0.00 N ATOM 838 CA TYR A 58 -6.912 -2.562 -6.836 1.00 0.00 C ATOM 839 C TYR A 58 -6.125 -2.667 -5.533 1.00 0.00 C ATOM 840 O TYR A 58 -5.278 -3.547 -5.375 1.00 0.00 O ATOM 841 CB TYR A 58 -8.033 -3.602 -6.853 1.00 0.00 C ATOM 842 CG TYR A 58 -9.064 -3.363 -7.933 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.787 -3.657 -9.263 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.315 -2.843 -7.623 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.726 -3.439 -10.252 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.260 -2.624 -8.606 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.961 -2.923 -9.919 1.00 0.00 C ATOM 848 OH TYR A 58 -11.900 -2.705 -10.901 1.00 0.00 O ATOM 0 H TYR A 58 -5.661 -3.684 -8.091 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.350 -1.565 -6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.597 -4.592 -6.991 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.529 -3.605 -5.883 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.822 -4.063 -9.527 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.552 -2.606 -6.596 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.494 -3.671 -11.281 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.228 -2.221 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.715 -2.340 -10.499 1.00 0.00 H new ATOM 858 N CYS A 59 -6.411 -1.764 -4.602 1.00 0.00 N ATOM 859 CA CYS A 59 -5.732 -1.753 -3.312 1.00 0.00 C ATOM 860 C CYS A 59 -5.929 -3.079 -2.583 1.00 0.00 C ATOM 861 O CYS A 59 -6.893 -3.807 -2.817 1.00 0.00 O ATOM 862 CB CYS A 59 -6.250 -0.601 -2.449 1.00 0.00 C ATOM 863 SG CYS A 59 -7.869 -0.921 -1.677 1.00 0.00 S ATOM 0 H CYS A 59 -7.109 -1.029 -4.717 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.666 -1.612 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.521 -0.391 -1.666 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.324 0.296 -3.065 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.767 -1.085 -2.603 1.00 0.00 H new ATOM 868 N PRO A 60 -4.993 -3.400 -1.677 1.00 0.00 N ATOM 869 CA PRO A 60 -5.042 -4.638 -0.894 1.00 0.00 C ATOM 870 C PRO A 60 -6.172 -4.633 0.130 1.00 0.00 C ATOM 871 O PRO A 60 -6.348 -5.592 0.881 1.00 0.00 O ATOM 872 CB PRO A 60 -3.683 -4.667 -0.190 1.00 0.00 C ATOM 873 CG PRO A 60 -3.267 -3.238 -0.112 1.00 0.00 C ATOM 874 CD PRO A 60 -3.816 -2.579 -1.346 1.00 0.00 C ATOM 0 HA PRO A 60 -5.231 -5.509 -1.521 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.760 -5.112 0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.960 -5.260 -0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.658 -2.766 0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.181 -3.149 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.090 -1.541 -1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.088 -2.575 -2.157 1.00 0.00 H new ATOM 882 N LYS A 61 -6.936 -3.546 0.155 1.00 0.00 N ATOM 883 CA LYS A 61 -8.051 -3.415 1.086 1.00 0.00 C ATOM 884 C LYS A 61 -9.372 -3.752 0.402 1.00 0.00 C ATOM 885 O LYS A 61 -10.332 -4.167 1.053 1.00 0.00 O ATOM 886 CB LYS A 61 -8.105 -1.995 1.653 1.00 0.00 C ATOM 887 CG LYS A 61 -7.347 -1.831 2.959 1.00 0.00 C ATOM 888 CD LYS A 61 -7.156 -0.366 3.313 1.00 0.00 C ATOM 889 CE LYS A 61 -8.462 0.276 3.755 1.00 0.00 C ATOM 890 NZ LYS A 61 -8.665 0.162 5.226 1.00 0.00 N ATOM 0 H LYS A 61 -6.803 -2.743 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.895 -4.119 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.696 -1.303 0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.147 -1.715 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.889 -2.332 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.374 -2.317 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.418 -0.277 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.760 0.169 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.465 1.328 3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.294 -0.199 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.566 0.611 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.687 -0.842 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.884 0.637 5.722 1.00 0.00 H new ATOM 904 N CYS A 62 -9.415 -3.573 -0.913 1.00 0.00 N ATOM 905 CA CYS A 62 -10.618 -3.858 -1.686 1.00 0.00 C ATOM 906 C CYS A 62 -10.546 -5.249 -2.310 1.00 0.00 C ATOM 907 O CYS A 62 -11.558 -5.940 -2.430 1.00 0.00 O ATOM 908 CB CYS A 62 -10.809 -2.806 -2.780 1.00 0.00 C ATOM 909 SG CYS A 62 -11.068 -1.117 -2.149 1.00 0.00 S ATOM 0 H CYS A 62 -8.630 -3.231 -1.467 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.471 -3.826 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.934 -2.810 -3.430 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.664 -3.088 -3.395 1.00 0.00 H new ATOM 0 HG CYS A 62 -9.995 -0.714 -1.535 1.00 0.00 H new ATOM 914 N ARG A 63 -9.343 -5.652 -2.706 1.00 0.00 N ATOM 915 CA ARG A 63 -9.139 -6.959 -3.318 1.00 0.00 C ATOM 916 C ARG A 63 -9.050 -8.050 -2.255 1.00 0.00 C ATOM 917 O ARG A 63 -8.561 -9.148 -2.517 1.00 0.00 O ATOM 918 CB ARG A 63 -7.867 -6.955 -4.168 1.00 0.00 C ATOM 919 CG ARG A 63 -6.587 -6.943 -3.347 1.00 0.00 C ATOM 920 CD ARG A 63 -5.405 -7.460 -4.152 1.00 0.00 C ATOM 921 NE ARG A 63 -5.242 -8.905 -4.019 1.00 0.00 N ATOM 922 CZ ARG A 63 -4.406 -9.622 -4.762 1.00 0.00 C ATOM 923 NH1 ARG A 63 -3.661 -9.030 -5.685 1.00 0.00 N ATOM 924 NH2 ARG A 63 -4.314 -10.933 -4.582 1.00 0.00 N ATOM 0 H ARG A 63 -8.495 -5.092 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.995 -7.170 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.868 -7.834 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.879 -6.082 -4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.381 -5.928 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.719 -7.557 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.543 -7.206 -5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.495 -6.961 -3.821 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.801 -9.391 -3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.729 -8.022 -5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.020 -9.582 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.886 -11.392 -3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.672 -11.482 -5.153 1.00 0.00 H new