USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 411 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 33 CYS SG : rot 142:sc= 0.32 USER MOD Set 1.2: A 36 CYS SG : rot -46:sc= -1.04 USER MOD Set 1.3: A 64 CYS SG : rot -68:sc= 1.09 USER MOD Set 1.4: A 67 CYS SG : rot -80:sc= -0.314 USER MOD Set 2.1: A 19 CYS SG : rot 166:sc= 0.353 USER MOD Set 2.2: A 21 CYS SG : rot -76:sc= -1.48 USER MOD Set 2.3: A 23 GLN : amide:sc=-0.00293 X(o=-1.7,f=-2.1) USER MOD Set 2.4: A 30 MET CE :methyl -125:sc= -0.358 (180deg=0) USER MOD Set 2.5: A 41 HIS : no HD1:sc= -0.0817 K(o=-1.7,f=-3.2) USER MOD Set 2.6: A 44 CYS SG : rot -150:sc= -0.105 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -2.12 F(o=-4.1!,f=-2.1) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 27 ASN : amide:sc= -0.0192 K(o=-0.019,f=-3.4!) USER MOD Single : A 32 CYS SG : rot 35:sc= 0.313 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.6!) USER MOD Single : A 62 TYR OH : rot 141:sc= -3.64 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.504 F(o=-2.1,f=-0.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ALA A 16 -4.979 21.844 7.033 1.00 0.00 N ATOM 185 CA ALA A 16 -5.525 21.440 5.743 1.00 0.00 C ATOM 186 C ALA A 16 -6.113 20.035 5.812 1.00 0.00 C ATOM 187 O ALA A 16 -5.489 19.115 6.342 1.00 0.00 O ATOM 188 CB ALA A 16 -4.450 21.513 4.669 1.00 0.00 C ATOM 0 HA ALA A 16 -6.329 22.129 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.872 21.209 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.079 22.535 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.628 20.847 4.931 1.00 0.00 H new ATOM 194 N LEU A 17 -7.317 19.876 5.273 1.00 0.00 N ATOM 195 CA LEU A 17 -7.990 18.582 5.274 1.00 0.00 C ATOM 196 C LEU A 17 -8.107 18.028 3.858 1.00 0.00 C ATOM 197 O LEU A 17 -8.845 18.563 3.030 1.00 0.00 O ATOM 198 CB LEU A 17 -9.380 18.709 5.901 1.00 0.00 C ATOM 199 CG LEU A 17 -9.449 19.452 7.235 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.877 19.883 7.532 1.00 0.00 C ATOM 201 CD2 LEU A 17 -8.909 18.580 8.360 1.00 0.00 C ATOM 0 H LEU A 17 -7.847 20.627 4.830 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.392 17.889 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.032 19.217 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.785 17.707 6.045 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.828 20.345 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.907 20.410 8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.230 20.544 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.519 19.004 7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.966 19.125 9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.503 17.669 8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.871 18.321 8.153 1.00 0.00 H new ATOM 213 N TYR A 18 -7.376 16.953 3.587 1.00 0.00 N ATOM 214 CA TYR A 18 -7.398 16.326 2.270 1.00 0.00 C ATOM 215 C TYR A 18 -8.459 15.232 2.205 1.00 0.00 C ATOM 216 O TYR A 18 -9.436 15.341 1.464 1.00 0.00 O ATOM 217 CB TYR A 18 -6.024 15.740 1.939 1.00 0.00 C ATOM 218 CG TYR A 18 -5.005 16.780 1.531 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.192 17.557 0.395 1.00 0.00 C ATOM 220 CD2 TYR A 18 -3.855 16.986 2.284 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.263 18.507 0.018 1.00 0.00 C ATOM 222 CE2 TYR A 18 -2.921 17.936 1.916 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.129 18.693 0.782 1.00 0.00 C ATOM 224 OH TYR A 18 -2.202 19.640 0.412 1.00 0.00 O ATOM 0 H TYR A 18 -6.761 16.497 4.261 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.646 17.091 1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.650 15.198 2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.132 15.014 1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.079 17.416 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.688 16.394 3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.423 19.101 -0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.033 18.085 2.513 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.464 19.645 1.057 1.00 0.00 H new ATOM 234 N CYS A 19 -8.259 14.176 2.986 1.00 0.00 N ATOM 235 CA CYS A 19 -9.197 13.060 3.020 1.00 0.00 C ATOM 236 C CYS A 19 -10.545 13.499 3.582 1.00 0.00 C ATOM 237 O CYS A 19 -10.671 14.590 4.140 1.00 0.00 O ATOM 238 CB CYS A 19 -8.629 11.915 3.861 1.00 0.00 C ATOM 239 SG CYS A 19 -9.467 10.317 3.603 1.00 0.00 S ATOM 0 H CYS A 19 -7.455 14.069 3.605 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.346 12.712 1.998 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.570 11.799 3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.698 12.184 4.915 1.00 0.00 H new ATOM 0 HG CYS A 19 -8.750 9.363 4.119 1.00 0.00 H new ATOM 244 N ILE A 20 -11.550 12.643 3.433 1.00 0.00 N ATOM 245 CA ILE A 20 -12.888 12.942 3.927 1.00 0.00 C ATOM 246 C ILE A 20 -12.950 12.835 5.447 1.00 0.00 C ATOM 247 O ILE A 20 -13.826 13.417 6.086 1.00 0.00 O ATOM 248 CB ILE A 20 -13.939 11.997 3.314 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.633 10.546 3.691 1.00 0.00 C ATOM 250 CG2 ILE A 20 -13.980 12.160 1.802 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.714 9.573 3.274 1.00 0.00 C ATOM 0 H ILE A 20 -11.463 11.736 2.974 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.113 13.966 3.628 1.00 0.00 H new ATOM 0 HB ILE A 20 -14.919 12.258 3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.691 10.250 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.493 10.481 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.727 11.486 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.240 13.189 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.002 11.922 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.430 8.564 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.653 9.844 3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.838 9.609 2.192 1.00 0.00 H new ATOM 263 N CYS A 21 -12.012 12.088 6.020 1.00 0.00 N ATOM 264 CA CYS A 21 -11.957 11.904 7.465 1.00 0.00 C ATOM 265 C CYS A 21 -11.341 13.124 8.145 1.00 0.00 C ATOM 266 O CYS A 21 -11.057 13.102 9.343 1.00 0.00 O ATOM 267 CB CYS A 21 -11.150 10.652 7.811 1.00 0.00 C ATOM 268 SG CYS A 21 -9.418 10.704 7.247 1.00 0.00 S ATOM 0 H CYS A 21 -11.279 11.600 5.505 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.977 11.782 7.830 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.165 10.510 8.892 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.639 9.784 7.369 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.372 10.484 5.967 1.00 0.00 H new ATOM 273 N ARG A 22 -11.138 14.186 7.372 1.00 0.00 N ATOM 274 CA ARG A 22 -10.555 15.414 7.899 1.00 0.00 C ATOM 275 C ARG A 22 -9.209 15.136 8.562 1.00 0.00 C ATOM 276 O ARG A 22 -8.966 15.556 9.693 1.00 0.00 O ATOM 277 CB ARG A 22 -11.506 16.065 8.905 1.00 0.00 C ATOM 278 CG ARG A 22 -12.497 17.027 8.271 1.00 0.00 C ATOM 279 CD ARG A 22 -13.657 16.287 7.624 1.00 0.00 C ATOM 280 NE ARG A 22 -14.714 15.980 8.583 1.00 0.00 N ATOM 281 CZ ARG A 22 -15.612 16.867 8.997 1.00 0.00 C ATOM 282 NH1 ARG A 22 -15.581 18.110 8.537 1.00 0.00 N ATOM 283 NH2 ARG A 22 -16.544 16.512 9.872 1.00 0.00 N ATOM 0 H ARG A 22 -11.369 14.221 6.379 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.396 16.098 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.056 15.284 9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.920 16.600 9.652 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.878 17.711 9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.988 17.634 7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.066 16.892 6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.293 15.362 7.178 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.766 15.032 8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.867 18.387 7.864 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.272 18.789 8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.572 15.557 10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.233 17.195 10.189 1.00 0.00 H new ATOM 297 N GLN A 23 -8.340 14.426 7.850 1.00 0.00 N ATOM 298 CA GLN A 23 -7.020 14.091 8.371 1.00 0.00 C ATOM 299 C GLN A 23 -5.934 14.410 7.348 1.00 0.00 C ATOM 300 O GLN A 23 -6.164 14.394 6.138 1.00 0.00 O ATOM 301 CB GLN A 23 -6.959 12.611 8.753 1.00 0.00 C ATOM 302 CG GLN A 23 -7.927 12.228 9.861 1.00 0.00 C ATOM 303 CD GLN A 23 -7.506 10.971 10.595 1.00 0.00 C ATOM 304 OE1 GLN A 23 -6.368 10.856 11.051 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.424 10.019 10.714 1.00 0.00 N ATOM 0 H GLN A 23 -8.526 14.072 6.912 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.844 14.696 9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.173 12.008 7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.944 12.367 9.068 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.003 13.051 10.572 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.920 12.081 9.436 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.355 10.156 10.321 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.198 9.150 11.199 1.00 0.00 H new ATOM 314 N PRO A 24 -4.723 14.706 7.842 1.00 0.00 N ATOM 315 CA PRO A 24 -3.578 15.034 6.987 1.00 0.00 C ATOM 316 C PRO A 24 -3.072 13.825 6.208 1.00 0.00 C ATOM 317 O PRO A 24 -3.671 12.750 6.251 1.00 0.00 O ATOM 318 CB PRO A 24 -2.518 15.510 7.983 1.00 0.00 C ATOM 319 CG PRO A 24 -2.878 14.847 9.267 1.00 0.00 C ATOM 320 CD PRO A 24 -4.378 14.744 9.273 1.00 0.00 C ATOM 0 HA PRO A 24 -3.833 15.774 6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.516 15.228 7.659 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.527 16.595 8.082 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.419 13.861 9.339 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.523 15.427 10.119 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.717 13.848 9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.837 15.596 9.775 1.00 0.00 H new ATOM 328 N HIS A 25 -1.965 14.008 5.495 1.00 0.00 N ATOM 329 CA HIS A 25 -1.378 12.931 4.706 1.00 0.00 C ATOM 330 C HIS A 25 -0.359 12.148 5.528 1.00 0.00 C ATOM 331 O HIS A 25 0.837 12.430 5.484 1.00 0.00 O ATOM 332 CB HIS A 25 -0.711 13.495 3.450 1.00 0.00 C ATOM 333 CG HIS A 25 0.380 12.623 2.909 1.00 0.00 C ATOM 334 ND1 HIS A 25 0.526 11.278 2.919 1.00 0.00 N flip ATOM 335 CD2 HIS A 25 1.492 13.123 2.264 1.00 0.00 C flip ATOM 336 CE1 HIS A 25 1.711 10.992 2.287 1.00 0.00 C flip ATOM 337 NE2 HIS A 25 2.274 12.122 1.901 1.00 0.00 N flip ATOM 0 H HIS A 25 -1.457 14.891 5.448 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.179 12.253 4.411 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.468 13.636 2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.300 14.479 3.677 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.692 14.169 2.084 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.117 10.003 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.162 12.208 1.406 1.00 0.00 H new ATOM 346 N ASN A 26 -0.843 11.164 6.279 1.00 0.00 N ATOM 347 CA ASN A 26 0.025 10.341 7.114 1.00 0.00 C ATOM 348 C ASN A 26 0.648 9.210 6.301 1.00 0.00 C ATOM 349 O ASN A 26 0.286 8.990 5.145 1.00 0.00 O ATOM 350 CB ASN A 26 -0.762 9.764 8.292 1.00 0.00 C ATOM 351 CG ASN A 26 -1.621 10.808 8.980 1.00 0.00 C ATOM 352 OD1 ASN A 26 -1.125 11.614 9.768 1.00 0.00 O ATOM 353 ND2 ASN A 26 -2.915 10.797 8.685 1.00 0.00 N ATOM 0 H ASN A 26 -1.832 10.917 6.327 1.00 0.00 H new ATOM 0 HA ASN A 26 0.826 10.974 7.497 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.396 8.951 7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.067 9.335 9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.542 11.475 9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.282 10.110 8.026 1.00 0.00 H new ATOM 360 N ASN A 27 1.585 8.494 6.914 1.00 0.00 N ATOM 361 CA ASN A 27 2.258 7.385 6.247 1.00 0.00 C ATOM 362 C ASN A 27 1.278 6.591 5.388 1.00 0.00 C ATOM 363 O ASN A 27 1.608 6.172 4.279 1.00 0.00 O ATOM 364 CB ASN A 27 2.911 6.463 7.279 1.00 0.00 C ATOM 365 CG ASN A 27 4.086 7.120 7.979 1.00 0.00 C ATOM 366 OD1 ASN A 27 4.045 8.306 8.303 1.00 0.00 O ATOM 367 ND2 ASN A 27 5.140 6.348 8.214 1.00 0.00 N ATOM 0 H ASN A 27 1.895 8.662 7.871 1.00 0.00 H new ATOM 0 HA ASN A 27 3.030 7.799 5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.168 6.168 8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.249 5.551 6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.961 6.734 8.681 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.129 5.369 7.927 1.00 0.00 H new ATOM 374 N ARG A 28 0.072 6.390 5.909 1.00 0.00 N ATOM 375 CA ARG A 28 -0.956 5.646 5.190 1.00 0.00 C ATOM 376 C ARG A 28 -0.890 5.936 3.694 1.00 0.00 C ATOM 377 O ARG A 28 -0.554 7.046 3.280 1.00 0.00 O ATOM 378 CB ARG A 28 -2.343 6.001 5.729 1.00 0.00 C ATOM 379 CG ARG A 28 -2.561 5.579 7.173 1.00 0.00 C ATOM 380 CD ARG A 28 -3.612 6.443 7.853 1.00 0.00 C ATOM 381 NE ARG A 28 -3.636 6.240 9.299 1.00 0.00 N ATOM 382 CZ ARG A 28 -4.200 5.190 9.885 1.00 0.00 C ATOM 383 NH1 ARG A 28 -4.785 4.252 9.152 1.00 0.00 N ATOM 384 NH2 ARG A 28 -4.181 5.076 11.207 1.00 0.00 N ATOM 0 H ARG A 28 -0.217 6.732 6.826 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.775 4.582 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.491 7.078 5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.099 5.528 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.871 4.534 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.621 5.650 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.413 7.493 7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.594 6.213 7.438 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.195 6.943 9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.802 4.336 8.136 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.217 3.447 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.733 5.795 11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.615 4.269 11.656 1.00 0.00 H new ATOM 398 N PHE A 29 -1.214 4.931 2.887 1.00 0.00 N ATOM 399 CA PHE A 29 -1.191 5.078 1.436 1.00 0.00 C ATOM 400 C PHE A 29 -2.237 6.088 0.975 1.00 0.00 C ATOM 401 O PHE A 29 -3.317 6.188 1.556 1.00 0.00 O ATOM 402 CB PHE A 29 -1.437 3.727 0.762 1.00 0.00 C ATOM 403 CG PHE A 29 -1.579 3.818 -0.731 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.521 4.250 -1.515 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.770 3.474 -1.349 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.648 4.335 -2.889 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.902 3.556 -2.723 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.841 3.989 -3.493 1.00 0.00 C ATOM 0 H PHE A 29 -1.495 4.006 3.213 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.206 5.446 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.612 3.056 1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.341 3.282 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.413 4.523 -1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.604 3.138 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.184 4.671 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.835 3.281 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.944 4.057 -4.566 1.00 0.00 H new ATOM 418 N MET A 30 -1.908 6.834 -0.075 1.00 0.00 N ATOM 419 CA MET A 30 -2.819 7.836 -0.615 1.00 0.00 C ATOM 420 C MET A 30 -2.831 7.794 -2.140 1.00 0.00 C ATOM 421 O MET A 30 -1.858 7.371 -2.766 1.00 0.00 O ATOM 422 CB MET A 30 -2.419 9.232 -0.134 1.00 0.00 C ATOM 423 CG MET A 30 -2.643 9.450 1.353 1.00 0.00 C ATOM 424 SD MET A 30 -2.452 11.175 1.839 1.00 0.00 S ATOM 425 CE MET A 30 -4.161 11.645 2.101 1.00 0.00 C ATOM 0 H MET A 30 -1.018 6.763 -0.568 1.00 0.00 H new ATOM 0 HA MET A 30 -3.823 7.610 -0.255 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.366 9.398 -0.363 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.988 9.976 -0.692 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.644 9.110 1.619 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.938 8.838 1.916 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.395 12.519 1.493 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.813 10.819 1.816 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.316 11.883 3.153 1.00 0.00 H new ATOM 435 N ILE A 31 -3.936 8.235 -2.731 1.00 0.00 N ATOM 436 CA ILE A 31 -4.072 8.249 -4.183 1.00 0.00 C ATOM 437 C ILE A 31 -4.807 9.499 -4.654 1.00 0.00 C ATOM 438 O ILE A 31 -5.572 10.103 -3.901 1.00 0.00 O ATOM 439 CB ILE A 31 -4.823 7.004 -4.689 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.288 7.050 -4.249 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.152 5.737 -4.180 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.508 6.576 -2.829 1.00 0.00 C ATOM 0 H ILE A 31 -4.750 8.587 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.063 8.247 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.790 6.997 -5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.655 8.072 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.881 6.434 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.695 4.866 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.123 5.701 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.157 5.736 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.569 6.636 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.172 5.544 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.942 7.207 -2.143 1.00 0.00 H new ATOM 454 N CYS A 32 -4.571 9.880 -5.905 1.00 0.00 N ATOM 455 CA CYS A 32 -5.212 11.059 -6.478 1.00 0.00 C ATOM 456 C CYS A 32 -6.404 10.663 -7.343 1.00 0.00 C ATOM 457 O CYS A 32 -6.250 9.979 -8.356 1.00 0.00 O ATOM 458 CB CYS A 32 -4.207 11.858 -7.309 1.00 0.00 C ATOM 459 SG CYS A 32 -3.564 10.969 -8.746 1.00 0.00 S ATOM 0 H CYS A 32 -3.942 9.391 -6.541 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.571 11.681 -5.659 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.682 12.779 -7.648 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.372 12.147 -6.670 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.498 10.212 -9.241 1.00 0.00 H new ATOM 465 N CYS A 33 -7.593 11.095 -6.937 1.00 0.00 N ATOM 466 CA CYS A 33 -8.812 10.785 -7.673 1.00 0.00 C ATOM 467 C CYS A 33 -8.867 11.559 -8.986 1.00 0.00 C ATOM 468 O CYS A 33 -8.094 12.493 -9.202 1.00 0.00 O ATOM 469 CB CYS A 33 -10.042 11.112 -6.824 1.00 0.00 C ATOM 470 SG CYS A 33 -11.587 10.362 -7.433 1.00 0.00 S ATOM 0 H CYS A 33 -7.738 11.661 -6.101 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.808 9.719 -7.900 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.865 10.775 -5.803 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.166 12.194 -6.786 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.313 9.983 -6.423 1.00 0.00 H new ATOM 475 N ASP A 34 -9.786 11.165 -9.861 1.00 0.00 N ATOM 476 CA ASP A 34 -9.944 11.823 -11.153 1.00 0.00 C ATOM 477 C ASP A 34 -11.227 12.647 -11.191 1.00 0.00 C ATOM 478 O ASP A 34 -11.294 13.680 -11.857 1.00 0.00 O ATOM 479 CB ASP A 34 -9.954 10.787 -12.278 1.00 0.00 C ATOM 480 CG ASP A 34 -9.888 11.424 -13.652 1.00 0.00 C ATOM 481 OD1 ASP A 34 -10.186 12.632 -13.761 1.00 0.00 O ATOM 482 OD2 ASP A 34 -9.540 10.714 -14.620 1.00 0.00 O ATOM 0 H ASP A 34 -10.433 10.393 -9.699 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.098 12.496 -11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.108 10.111 -12.153 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.858 10.183 -12.204 1.00 0.00 H new ATOM 487 N ARG A 35 -12.244 12.182 -10.473 1.00 0.00 N ATOM 488 CA ARG A 35 -13.526 12.874 -10.426 1.00 0.00 C ATOM 489 C ARG A 35 -13.442 14.115 -9.542 1.00 0.00 C ATOM 490 O ARG A 35 -13.573 15.242 -10.020 1.00 0.00 O ATOM 491 CB ARG A 35 -14.618 11.937 -9.907 1.00 0.00 C ATOM 492 CG ARG A 35 -15.203 11.031 -10.978 1.00 0.00 C ATOM 493 CD ARG A 35 -16.312 11.727 -11.750 1.00 0.00 C ATOM 494 NE ARG A 35 -15.786 12.593 -12.803 1.00 0.00 N ATOM 495 CZ ARG A 35 -16.478 13.585 -13.352 1.00 0.00 C ATOM 496 NH1 ARG A 35 -17.717 13.835 -12.951 1.00 0.00 N ATOM 497 NH2 ARG A 35 -15.931 14.329 -14.305 1.00 0.00 N ATOM 0 H ARG A 35 -12.205 11.329 -9.916 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.778 13.187 -11.439 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.207 11.321 -9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.419 12.533 -9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.416 10.724 -11.667 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.593 10.124 -10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.971 10.979 -12.191 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.916 12.319 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.836 12.427 -13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.141 13.265 -12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.246 14.597 -13.374 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.978 14.139 -14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.463 15.091 -14.726 1.00 0.00 H new ATOM 511 N CYS A 36 -13.224 13.899 -8.249 1.00 0.00 N ATOM 512 CA CYS A 36 -13.123 14.998 -7.296 1.00 0.00 C ATOM 513 C CYS A 36 -11.688 15.509 -7.205 1.00 0.00 C ATOM 514 O CYS A 36 -11.432 16.567 -6.631 1.00 0.00 O ATOM 515 CB CYS A 36 -13.605 14.549 -5.915 1.00 0.00 C ATOM 516 SG CYS A 36 -12.575 13.255 -5.152 1.00 0.00 S ATOM 0 H CYS A 36 -13.114 12.972 -7.837 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.758 15.811 -7.648 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.632 15.414 -5.253 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.627 14.181 -6.001 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.331 12.324 -6.025 1.00 0.00 H new ATOM 521 N GLU A 37 -10.758 14.750 -7.774 1.00 0.00 N ATOM 522 CA GLU A 37 -9.349 15.126 -7.756 1.00 0.00 C ATOM 523 C GLU A 37 -8.897 15.473 -6.341 1.00 0.00 C ATOM 524 O GLU A 37 -8.312 16.531 -6.108 1.00 0.00 O ATOM 525 CB GLU A 37 -9.104 16.315 -8.688 1.00 0.00 C ATOM 526 CG GLU A 37 -9.091 15.941 -10.161 1.00 0.00 C ATOM 527 CD GLU A 37 -8.587 17.066 -11.043 1.00 0.00 C ATOM 528 OE1 GLU A 37 -9.237 18.132 -11.075 1.00 0.00 O ATOM 529 OE2 GLU A 37 -7.543 16.882 -11.703 1.00 0.00 O ATOM 0 H GLU A 37 -10.954 13.871 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.767 14.273 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.878 17.064 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.151 16.777 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.462 15.063 -10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.099 15.665 -10.471 1.00 0.00 H new ATOM 536 N GLU A 38 -9.173 14.575 -5.400 1.00 0.00 N ATOM 537 CA GLU A 38 -8.796 14.788 -4.008 1.00 0.00 C ATOM 538 C GLU A 38 -7.844 13.695 -3.529 1.00 0.00 C ATOM 539 O GLU A 38 -7.612 12.709 -4.229 1.00 0.00 O ATOM 540 CB GLU A 38 -10.041 14.821 -3.119 1.00 0.00 C ATOM 541 CG GLU A 38 -10.767 16.155 -3.138 1.00 0.00 C ATOM 542 CD GLU A 38 -11.807 16.269 -2.040 1.00 0.00 C ATOM 543 OE1 GLU A 38 -11.415 16.347 -0.857 1.00 0.00 O ATOM 544 OE2 GLU A 38 -13.013 16.279 -2.365 1.00 0.00 O ATOM 0 H GLU A 38 -9.656 13.694 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.284 15.748 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.728 14.038 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.752 14.589 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.041 16.961 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.250 16.288 -4.106 1.00 0.00 H new ATOM 551 N TRP A 39 -7.296 13.879 -2.334 1.00 0.00 N ATOM 552 CA TRP A 39 -6.369 12.909 -1.761 1.00 0.00 C ATOM 553 C TRP A 39 -6.980 12.223 -0.545 1.00 0.00 C ATOM 554 O TRP A 39 -7.273 12.869 0.462 1.00 0.00 O ATOM 555 CB TRP A 39 -5.059 13.595 -1.371 1.00 0.00 C ATOM 556 CG TRP A 39 -4.196 13.942 -2.546 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.105 15.156 -3.166 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.306 13.065 -3.244 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.211 15.086 -4.207 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.706 13.815 -4.275 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.955 11.720 -3.098 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.778 13.262 -5.154 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.033 11.174 -3.970 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.453 11.943 -4.987 1.00 0.00 C ATOM 0 H TRP A 39 -7.477 14.690 -1.743 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.163 12.150 -2.516 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.285 14.505 -0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.501 12.942 -0.700 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.655 16.040 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.964 15.856 -4.828 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.397 11.118 -2.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.331 13.853 -5.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.754 10.136 -3.866 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.735 11.486 -5.652 1.00 0.00 H new ATOM 575 N PHE A 40 -7.172 10.912 -0.644 1.00 0.00 N ATOM 576 CA PHE A 40 -7.750 10.139 0.449 1.00 0.00 C ATOM 577 C PHE A 40 -6.838 8.978 0.836 1.00 0.00 C ATOM 578 O PHE A 40 -5.824 8.727 0.184 1.00 0.00 O ATOM 579 CB PHE A 40 -9.130 9.609 0.054 1.00 0.00 C ATOM 580 CG PHE A 40 -9.999 10.639 -0.609 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.751 11.522 0.149 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.066 10.722 -1.991 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.552 12.471 -0.458 1.00 0.00 C ATOM 584 CE2 PHE A 40 -10.866 11.669 -2.603 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.610 12.544 -1.836 1.00 0.00 C ATOM 0 H PHE A 40 -6.936 10.362 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 40 -7.855 10.798 1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.006 8.761 -0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.636 9.237 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.711 11.468 1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.487 10.040 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.132 13.155 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.909 11.725 -3.681 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.236 13.284 -2.313 1.00 0.00 H new ATOM 595 N HIS A 41 -7.207 8.273 1.901 1.00 0.00 N ATOM 596 CA HIS A 41 -6.423 7.138 2.375 1.00 0.00 C ATOM 597 C HIS A 41 -6.992 5.826 1.846 1.00 0.00 C ATOM 598 O HIS A 41 -8.174 5.533 2.024 1.00 0.00 O ATOM 599 CB HIS A 41 -6.394 7.115 3.904 1.00 0.00 C ATOM 600 CG HIS A 41 -5.871 8.380 4.512 1.00 0.00 C ATOM 601 ND1 HIS A 41 -6.591 9.135 5.413 1.00 0.00 N ATOM 602 CD2 HIS A 41 -4.690 9.020 4.346 1.00 0.00 C ATOM 603 CE1 HIS A 41 -5.876 10.187 5.773 1.00 0.00 C ATOM 604 NE2 HIS A 41 -4.718 10.140 5.140 1.00 0.00 N ATOM 0 H HIS A 41 -8.043 8.468 2.452 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.405 7.249 2.001 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.402 6.933 4.276 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.776 6.280 4.235 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.877 8.708 3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.186 10.954 6.467 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.967 10.824 5.227 1.00 0.00 H new ATOM 612 N GLY A 42 -6.143 5.038 1.193 1.00 0.00 N ATOM 613 CA GLY A 42 -6.580 3.767 0.646 1.00 0.00 C ATOM 614 C GLY A 42 -7.615 3.086 1.519 1.00 0.00 C ATOM 615 O GLY A 42 -8.740 2.839 1.083 1.00 0.00 O ATOM 0 H GLY A 42 -5.160 5.258 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.996 3.927 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.718 3.110 0.529 1.00 0.00 H new ATOM 619 N ASP A 43 -7.235 2.780 2.755 1.00 0.00 N ATOM 620 CA ASP A 43 -8.139 2.122 3.692 1.00 0.00 C ATOM 621 C ASP A 43 -9.471 2.862 3.773 1.00 0.00 C ATOM 622 O ASP A 43 -10.537 2.248 3.743 1.00 0.00 O ATOM 623 CB ASP A 43 -7.500 2.044 5.080 1.00 0.00 C ATOM 624 CG ASP A 43 -6.223 1.226 5.084 1.00 0.00 C ATOM 625 OD1 ASP A 43 -5.219 1.693 4.507 1.00 0.00 O ATOM 626 OD2 ASP A 43 -6.229 0.119 5.662 1.00 0.00 O ATOM 0 H ASP A 43 -6.308 2.977 3.131 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.327 1.112 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.284 3.052 5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.211 1.606 5.780 1.00 0.00 H new ATOM 631 N CYS A 44 -9.401 4.185 3.877 1.00 0.00 N ATOM 632 CA CYS A 44 -10.600 5.010 3.964 1.00 0.00 C ATOM 633 C CYS A 44 -11.489 4.808 2.740 1.00 0.00 C ATOM 634 O CYS A 44 -12.657 4.438 2.862 1.00 0.00 O ATOM 635 CB CYS A 44 -10.221 6.486 4.094 1.00 0.00 C ATOM 636 SG CYS A 44 -9.836 7.008 5.797 1.00 0.00 S ATOM 0 H CYS A 44 -8.526 4.709 3.903 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.157 4.705 4.850 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.357 6.685 3.460 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.042 7.095 3.715 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.144 8.262 5.946 1.00 0.00 H new ATOM 641 N VAL A 45 -10.928 5.053 1.561 1.00 0.00 N ATOM 642 CA VAL A 45 -11.668 4.897 0.314 1.00 0.00 C ATOM 643 C VAL A 45 -11.703 3.438 -0.125 1.00 0.00 C ATOM 644 O VAL A 45 -12.004 3.133 -1.279 1.00 0.00 O ATOM 645 CB VAL A 45 -11.053 5.747 -0.814 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.299 7.227 -0.563 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.565 5.460 -0.945 1.00 0.00 C ATOM 0 H VAL A 45 -9.963 5.361 1.443 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.685 5.241 0.504 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.536 5.478 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.857 7.811 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.372 7.416 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.844 7.516 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.146 6.069 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.064 5.700 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.417 4.405 -1.176 1.00 0.00 H new ATOM 657 N GLY A 46 -11.393 2.538 0.803 1.00 0.00 N ATOM 658 CA GLY A 46 -11.395 1.120 0.493 1.00 0.00 C ATOM 659 C GLY A 46 -10.121 0.676 -0.197 1.00 0.00 C ATOM 660 O GLY A 46 -9.518 -0.328 0.184 1.00 0.00 O ATOM 0 H GLY A 46 -11.140 2.766 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.524 0.550 1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.249 0.892 -0.145 1.00 0.00 H new ATOM 664 N ILE A 47 -9.710 1.423 -1.216 1.00 0.00 N ATOM 665 CA ILE A 47 -8.500 1.100 -1.961 1.00 0.00 C ATOM 666 C ILE A 47 -7.407 0.578 -1.034 1.00 0.00 C ATOM 667 O ILE A 47 -7.332 0.963 0.132 1.00 0.00 O ATOM 668 CB ILE A 47 -7.966 2.324 -2.728 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.955 2.741 -3.818 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.603 2.019 -3.330 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.154 1.690 -4.888 1.00 0.00 C ATOM 0 H ILE A 47 -10.198 2.256 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.769 0.323 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.855 3.152 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.917 2.966 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.602 3.661 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.239 2.894 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.902 1.765 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.689 1.179 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.868 2.054 -5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.201 1.482 -5.375 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.537 0.776 -4.434 1.00 0.00 H new ATOM 683 N SER A 48 -6.559 -0.299 -1.563 1.00 0.00 N ATOM 684 CA SER A 48 -5.470 -0.875 -0.782 1.00 0.00 C ATOM 685 C SER A 48 -4.116 -0.462 -1.352 1.00 0.00 C ATOM 686 O SER A 48 -3.968 -0.285 -2.560 1.00 0.00 O ATOM 687 CB SER A 48 -5.583 -2.400 -0.759 1.00 0.00 C ATOM 688 OG SER A 48 -6.602 -2.823 0.131 1.00 0.00 O ATOM 0 H SER A 48 -6.605 -0.626 -2.528 1.00 0.00 H new ATOM 0 HA SER A 48 -5.546 -0.497 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.797 -2.767 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.630 -2.834 -0.458 1.00 0.00 H new ATOM 0 HG SER A 48 -6.655 -3.802 0.126 1.00 0.00 H new ATOM 694 N GLU A 49 -3.132 -0.311 -0.471 1.00 0.00 N ATOM 695 CA GLU A 49 -1.790 0.082 -0.886 1.00 0.00 C ATOM 696 C GLU A 49 -1.409 -0.591 -2.201 1.00 0.00 C ATOM 697 O GLU A 49 -1.026 0.074 -3.163 1.00 0.00 O ATOM 698 CB GLU A 49 -0.772 -0.278 0.198 1.00 0.00 C ATOM 699 CG GLU A 49 0.546 0.467 0.067 1.00 0.00 C ATOM 700 CD GLU A 49 1.706 -0.285 0.688 1.00 0.00 C ATOM 701 OE1 GLU A 49 2.250 -1.191 0.021 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.071 0.031 1.839 1.00 0.00 O ATOM 0 H GLU A 49 -3.238 -0.455 0.533 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.784 1.162 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.204 -0.065 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.579 -1.350 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.756 0.644 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.455 1.444 0.542 1.00 0.00 H new ATOM 709 N ALA A 50 -1.516 -1.916 -2.234 1.00 0.00 N ATOM 710 CA ALA A 50 -1.184 -2.679 -3.431 1.00 0.00 C ATOM 711 C ALA A 50 -2.125 -2.335 -4.580 1.00 0.00 C ATOM 712 O ALA A 50 -1.682 -1.967 -5.669 1.00 0.00 O ATOM 713 CB ALA A 50 -1.232 -4.171 -3.135 1.00 0.00 C ATOM 0 H ALA A 50 -1.830 -2.482 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.171 -2.412 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.982 -4.729 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.514 -4.410 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.234 -4.444 -2.805 1.00 0.00 H new ATOM 719 N ARG A 51 -3.425 -2.457 -4.331 1.00 0.00 N ATOM 720 CA ARG A 51 -4.428 -2.161 -5.347 1.00 0.00 C ATOM 721 C ARG A 51 -4.073 -0.887 -6.107 1.00 0.00 C ATOM 722 O ARG A 51 -3.989 -0.887 -7.334 1.00 0.00 O ATOM 723 CB ARG A 51 -5.808 -2.015 -4.703 1.00 0.00 C ATOM 724 CG ARG A 51 -6.953 -2.416 -5.619 1.00 0.00 C ATOM 725 CD ARG A 51 -6.780 -1.835 -7.014 1.00 0.00 C ATOM 726 NE ARG A 51 -5.934 -2.676 -7.856 1.00 0.00 N ATOM 727 CZ ARG A 51 -6.355 -3.795 -8.436 1.00 0.00 C ATOM 728 NH1 ARG A 51 -7.605 -4.204 -8.266 1.00 0.00 N ATOM 729 NH2 ARG A 51 -5.525 -4.506 -9.188 1.00 0.00 N ATOM 0 H ARG A 51 -3.808 -2.759 -3.435 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.449 -2.991 -6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.845 -2.625 -3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.947 -0.979 -4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.008 -3.503 -5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.897 -2.073 -5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.757 -1.720 -7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.343 -0.839 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.967 -2.389 -8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.246 -3.659 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.926 -5.063 -8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.563 -4.194 -9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.849 -5.365 -9.633 1.00 0.00 H new ATOM 743 N GLY A 52 -3.865 0.199 -5.368 1.00 0.00 N ATOM 744 CA GLY A 52 -3.522 1.465 -5.989 1.00 0.00 C ATOM 745 C GLY A 52 -2.115 1.471 -6.553 1.00 0.00 C ATOM 746 O GLY A 52 -1.923 1.651 -7.756 1.00 0.00 O ATOM 0 H GLY A 52 -3.928 0.224 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.232 1.678 -6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.619 2.265 -5.255 1.00 0.00 H new ATOM 750 N ARG A 53 -1.129 1.276 -5.684 1.00 0.00 N ATOM 751 CA ARG A 53 0.267 1.263 -6.102 1.00 0.00 C ATOM 752 C ARG A 53 0.408 0.684 -7.507 1.00 0.00 C ATOM 753 O ARG A 53 1.176 1.193 -8.325 1.00 0.00 O ATOM 754 CB ARG A 53 1.109 0.450 -5.117 1.00 0.00 C ATOM 755 CG ARG A 53 1.670 1.275 -3.970 1.00 0.00 C ATOM 756 CD ARG A 53 3.032 1.855 -4.315 1.00 0.00 C ATOM 757 NE ARG A 53 2.929 3.199 -4.877 1.00 0.00 N ATOM 758 CZ ARG A 53 3.918 4.085 -4.850 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.079 3.770 -4.293 1.00 0.00 N ATOM 760 NH2 ARG A 53 3.747 5.288 -5.382 1.00 0.00 N ATOM 0 H ARG A 53 -1.271 1.125 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 53 0.627 2.292 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.499 -0.356 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.934 -0.016 -5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.979 2.083 -3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.754 0.652 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.651 1.884 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.534 1.201 -5.028 1.00 0.00 H new ATOM 0 HE ARG A 53 2.049 3.472 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.214 2.845 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.837 4.452 -4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.855 5.533 -5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.507 5.968 -5.361 1.00 0.00 H new ATOM 774 N LEU A 54 -0.337 -0.381 -7.780 1.00 0.00 N ATOM 775 CA LEU A 54 -0.295 -1.030 -9.086 1.00 0.00 C ATOM 776 C LEU A 54 -1.085 -0.230 -10.117 1.00 0.00 C ATOM 777 O LEU A 54 -0.613 0.005 -11.230 1.00 0.00 O ATOM 778 CB LEU A 54 -0.853 -2.451 -8.989 1.00 0.00 C ATOM 779 CG LEU A 54 0.053 -3.483 -8.317 1.00 0.00 C ATOM 780 CD1 LEU A 54 -0.654 -4.826 -8.214 1.00 0.00 C ATOM 781 CD2 LEU A 54 1.361 -3.624 -9.082 1.00 0.00 C ATOM 0 H LEU A 54 -0.978 -0.814 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 54 0.745 -1.076 -9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.795 -2.413 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.082 -2.799 -9.996 1.00 0.00 H new ATOM 0 HG LEU A 54 0.281 -3.137 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.006 -5.548 -7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.563 -4.714 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.912 -5.179 -9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.993 -4.363 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.153 -3.947 -10.102 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.875 -2.663 -9.104 1.00 0.00 H new ATOM 793 N LEU A 55 -2.288 0.187 -9.739 1.00 0.00 N ATOM 794 CA LEU A 55 -3.143 0.964 -10.630 1.00 0.00 C ATOM 795 C LEU A 55 -2.428 2.220 -11.114 1.00 0.00 C ATOM 796 O LEU A 55 -2.649 2.679 -12.234 1.00 0.00 O ATOM 797 CB LEU A 55 -4.442 1.345 -9.917 1.00 0.00 C ATOM 798 CG LEU A 55 -4.455 2.712 -9.231 1.00 0.00 C ATOM 799 CD1 LEU A 55 -4.466 3.827 -10.265 1.00 0.00 C ATOM 800 CD2 LEU A 55 -5.655 2.831 -8.303 1.00 0.00 C ATOM 0 H LEU A 55 -2.694 0.000 -8.822 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.378 0.347 -11.497 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.254 1.318 -10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.659 0.583 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.548 2.807 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.475 4.792 -9.759 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.576 3.753 -10.889 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.355 3.736 -10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.648 3.810 -7.823 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.573 2.715 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.604 2.053 -7.541 1.00 0.00 H new ATOM 812 N GLU A 56 -1.567 2.770 -10.262 1.00 0.00 N ATOM 813 CA GLU A 56 -0.818 3.974 -10.605 1.00 0.00 C ATOM 814 C GLU A 56 0.137 3.708 -11.765 1.00 0.00 C ATOM 815 O GLU A 56 0.084 4.383 -12.793 1.00 0.00 O ATOM 816 CB GLU A 56 -0.035 4.477 -9.390 1.00 0.00 C ATOM 817 CG GLU A 56 0.722 5.769 -9.646 1.00 0.00 C ATOM 818 CD GLU A 56 1.604 6.169 -8.480 1.00 0.00 C ATOM 819 OE1 GLU A 56 2.218 5.273 -7.864 1.00 0.00 O ATOM 820 OE2 GLU A 56 1.681 7.380 -8.184 1.00 0.00 O ATOM 0 H GLU A 56 -1.371 2.402 -9.331 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.530 4.740 -10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.726 4.629 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.672 3.707 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.336 5.655 -10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.010 6.569 -9.849 1.00 0.00 H new ATOM 827 N ARG A 57 1.009 2.721 -11.591 1.00 0.00 N ATOM 828 CA ARG A 57 1.978 2.366 -12.622 1.00 0.00 C ATOM 829 C ARG A 57 1.277 1.815 -13.860 1.00 0.00 C ATOM 830 O ARG A 57 1.682 2.088 -14.988 1.00 0.00 O ATOM 831 CB ARG A 57 2.973 1.336 -12.084 1.00 0.00 C ATOM 832 CG ARG A 57 2.328 0.020 -11.680 1.00 0.00 C ATOM 833 CD ARG A 57 3.345 -0.934 -11.073 1.00 0.00 C ATOM 834 NE ARG A 57 4.376 -1.319 -12.033 1.00 0.00 N ATOM 835 CZ ARG A 57 5.568 -1.789 -11.683 1.00 0.00 C ATOM 836 NH1 ARG A 57 5.877 -1.931 -10.402 1.00 0.00 N ATOM 837 NH2 ARG A 57 6.453 -2.118 -12.615 1.00 0.00 N ATOM 0 H ARG A 57 1.065 2.152 -10.746 1.00 0.00 H new ATOM 0 HA ARG A 57 2.519 3.269 -12.904 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.729 1.142 -12.845 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.489 1.758 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.531 0.210 -10.961 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.867 -0.444 -12.552 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.813 -0.463 -10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.834 -1.827 -10.712 1.00 0.00 H new ATOM 0 HE ARG A 57 4.169 -1.222 -13.027 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.199 -1.679 -9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.793 -2.292 -10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.218 -2.010 -13.602 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.368 -2.479 -12.345 1.00 0.00 H new ATOM 851 N ASN A 58 0.223 1.036 -13.639 1.00 0.00 N ATOM 852 CA ASN A 58 -0.534 0.445 -14.736 1.00 0.00 C ATOM 853 C ASN A 58 -1.138 1.527 -15.626 1.00 0.00 C ATOM 854 O ASN A 58 -1.107 1.426 -16.851 1.00 0.00 O ATOM 855 CB ASN A 58 -1.642 -0.459 -14.191 1.00 0.00 C ATOM 856 CG ASN A 58 -1.130 -1.836 -13.813 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.166 -2.334 -14.394 1.00 0.00 O ATOM 858 ND2 ASN A 58 -1.777 -2.459 -12.834 1.00 0.00 N ATOM 0 H ASN A 58 -0.126 0.800 -12.710 1.00 0.00 H new ATOM 0 HA ASN A 58 0.152 -0.153 -15.336 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.093 0.011 -13.317 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.427 -0.559 -14.940 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.479 -3.388 -12.536 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.571 -2.008 -12.380 1.00 0.00 H new ATOM 865 N GLY A 59 -1.687 2.563 -14.998 1.00 0.00 N ATOM 866 CA GLY A 59 -2.290 3.650 -15.748 1.00 0.00 C ATOM 867 C GLY A 59 -3.804 3.631 -15.681 1.00 0.00 C ATOM 868 O GLY A 59 -4.479 3.845 -16.687 1.00 0.00 O ATOM 0 H GLY A 59 -1.725 2.669 -13.984 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.924 4.601 -15.361 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.975 3.587 -16.790 1.00 0.00 H new ATOM 872 N GLU A 60 -4.339 3.372 -14.491 1.00 0.00 N ATOM 873 CA GLU A 60 -5.783 3.323 -14.298 1.00 0.00 C ATOM 874 C GLU A 60 -6.278 4.575 -13.579 1.00 0.00 C ATOM 875 O GLU A 60 -5.535 5.207 -12.828 1.00 0.00 O ATOM 876 CB GLU A 60 -6.172 2.077 -13.501 1.00 0.00 C ATOM 877 CG GLU A 60 -6.332 0.832 -14.357 1.00 0.00 C ATOM 878 CD GLU A 60 -7.340 1.018 -15.474 1.00 0.00 C ATOM 879 OE1 GLU A 60 -6.963 1.569 -16.529 1.00 0.00 O ATOM 880 OE2 GLU A 60 -8.507 0.612 -15.293 1.00 0.00 O ATOM 0 H GLU A 60 -3.794 3.193 -13.648 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.254 3.278 -15.280 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.413 1.890 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.108 2.269 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.366 0.563 -14.785 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.644 -0.001 -13.726 1.00 0.00 H new ATOM 887 N ASP A 61 -7.537 4.926 -13.815 1.00 0.00 N ATOM 888 CA ASP A 61 -8.133 6.102 -13.191 1.00 0.00 C ATOM 889 C ASP A 61 -8.864 5.723 -11.906 1.00 0.00 C ATOM 890 O ASP A 61 -9.972 5.188 -11.945 1.00 0.00 O ATOM 891 CB ASP A 61 -9.099 6.786 -14.159 1.00 0.00 C ATOM 892 CG ASP A 61 -9.993 5.796 -14.881 1.00 0.00 C ATOM 893 OD1 ASP A 61 -10.250 4.710 -14.320 1.00 0.00 O ATOM 894 OD2 ASP A 61 -10.437 6.109 -16.005 1.00 0.00 O ATOM 0 H ASP A 61 -8.165 4.413 -14.434 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.331 6.796 -12.941 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.717 7.496 -13.610 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.530 7.359 -14.891 1.00 0.00 H new ATOM 899 N TYR A 62 -8.235 6.003 -10.770 1.00 0.00 N ATOM 900 CA TYR A 62 -8.824 5.689 -9.474 1.00 0.00 C ATOM 901 C TYR A 62 -10.046 6.562 -9.204 1.00 0.00 C ATOM 902 O TYR A 62 -9.940 7.786 -9.114 1.00 0.00 O ATOM 903 CB TYR A 62 -7.791 5.879 -8.362 1.00 0.00 C ATOM 904 CG TYR A 62 -8.397 6.272 -7.033 1.00 0.00 C ATOM 905 CD1 TYR A 62 -9.126 5.358 -6.282 1.00 0.00 C ATOM 906 CD2 TYR A 62 -8.242 7.558 -6.529 1.00 0.00 C ATOM 907 CE1 TYR A 62 -9.682 5.712 -5.069 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.794 7.920 -5.316 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.513 6.995 -4.589 1.00 0.00 C ATOM 910 OH TYR A 62 -10.065 7.353 -3.381 1.00 0.00 O ATOM 0 H TYR A 62 -7.318 6.447 -10.720 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.142 4.647 -9.491 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.230 4.953 -8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.078 6.645 -8.667 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.260 4.353 -6.654 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.681 8.286 -7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.246 4.989 -4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.663 8.923 -4.938 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.443 7.935 -2.897 1.00 0.00 H new ATOM 920 N ILE A 63 -11.204 5.924 -9.075 1.00 0.00 N ATOM 921 CA ILE A 63 -12.446 6.642 -8.813 1.00 0.00 C ATOM 922 C ILE A 63 -12.930 6.401 -7.388 1.00 0.00 C ATOM 923 O ILE A 63 -13.751 5.517 -7.140 1.00 0.00 O ATOM 924 CB ILE A 63 -13.554 6.225 -9.797 1.00 0.00 C ATOM 925 CG1 ILE A 63 -13.102 6.462 -11.240 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.836 6.991 -9.506 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.733 7.900 -11.529 1.00 0.00 C ATOM 0 H ILE A 63 -11.309 4.912 -9.147 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.232 7.702 -8.947 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.752 5.161 -9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.243 5.825 -11.452 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.900 6.157 -11.917 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.610 6.685 -10.210 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -15.165 6.777 -8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.653 8.060 -9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.422 7.994 -12.570 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.596 8.540 -11.349 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.914 8.203 -10.877 1.00 0.00 H new ATOM 939 N CYS A 64 -12.417 7.194 -6.453 1.00 0.00 N ATOM 940 CA CYS A 64 -12.797 7.069 -5.051 1.00 0.00 C ATOM 941 C CYS A 64 -14.285 6.755 -4.916 1.00 0.00 C ATOM 942 O CYS A 64 -15.088 7.046 -5.803 1.00 0.00 O ATOM 943 CB CYS A 64 -12.466 8.357 -4.294 1.00 0.00 C ATOM 944 SG CYS A 64 -13.827 9.567 -4.255 1.00 0.00 S ATOM 0 H CYS A 64 -11.737 7.930 -6.641 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.229 6.245 -4.619 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.190 8.104 -3.270 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.594 8.822 -4.753 1.00 0.00 H new ATOM 0 HG CYS A 64 -14.019 10.043 -5.450 1.00 0.00 H new ATOM 949 N PRO A 65 -14.661 6.147 -3.781 1.00 0.00 N ATOM 950 CA PRO A 65 -16.053 5.782 -3.503 1.00 0.00 C ATOM 951 C PRO A 65 -16.935 7.001 -3.258 1.00 0.00 C ATOM 952 O PRO A 65 -17.990 7.149 -3.874 1.00 0.00 O ATOM 953 CB PRO A 65 -15.949 4.933 -2.234 1.00 0.00 C ATOM 954 CG PRO A 65 -14.697 5.392 -1.571 1.00 0.00 C ATOM 955 CD PRO A 65 -13.756 5.771 -2.682 1.00 0.00 C ATOM 0 HA PRO A 65 -16.514 5.263 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.815 5.079 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.904 3.870 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.891 6.242 -0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.272 4.603 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.107 6.598 -2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.108 4.940 -2.961 1.00 0.00 H new ATOM 963 N ASN A 66 -16.495 7.872 -2.355 1.00 0.00 N ATOM 964 CA ASN A 66 -17.246 9.079 -2.029 1.00 0.00 C ATOM 965 C ASN A 66 -17.790 9.739 -3.292 1.00 0.00 C ATOM 966 O ASN A 66 -18.798 10.446 -3.252 1.00 0.00 O ATOM 967 CB ASN A 66 -16.359 10.065 -1.266 1.00 0.00 C ATOM 968 CG ASN A 66 -17.140 11.248 -0.728 1.00 0.00 C ATOM 969 OD1 ASN A 66 -17.590 12.118 -1.625 1.00 0.00 O flip ATOM 970 ND2 ASN A 66 -17.337 11.378 0.480 1.00 0.00 N flip ATOM 0 H ASN A 66 -15.623 7.764 -1.837 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.088 8.794 -1.398 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.873 9.547 -0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.569 10.424 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.973 10.685 1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.865 12.179 0.827 1.00 0.00 H new ATOM 977 N CYS A 67 -17.117 9.503 -4.414 1.00 0.00 N ATOM 978 CA CYS A 67 -17.532 10.074 -5.689 1.00 0.00 C ATOM 979 C CYS A 67 -18.713 9.302 -6.272 1.00 0.00 C ATOM 980 O CYS A 67 -19.842 9.793 -6.291 1.00 0.00 O ATOM 981 CB CYS A 67 -16.365 10.066 -6.679 1.00 0.00 C ATOM 982 SG CYS A 67 -15.315 11.552 -6.602 1.00 0.00 S ATOM 0 H CYS A 67 -16.282 8.920 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.844 11.103 -5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.748 9.188 -6.490 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.761 9.966 -7.690 1.00 0.00 H new ATOM 0 HG CYS A 67 -15.884 12.520 -7.257 1.00 0.00 H new ATOM 987 N THR A 68 -18.444 8.090 -6.747 1.00 0.00 N ATOM 988 CA THR A 68 -19.482 7.251 -7.331 1.00 0.00 C ATOM 989 C THR A 68 -20.685 7.138 -6.402 1.00 0.00 C ATOM 990 O THR A 68 -21.830 7.097 -6.856 1.00 0.00 O ATOM 991 CB THR A 68 -18.953 5.837 -7.641 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.825 5.918 -8.518 1.00 0.00 O ATOM 993 CG2 THR A 68 -20.038 4.982 -8.279 1.00 0.00 C ATOM 0 H THR A 68 -17.516 7.668 -6.738 1.00 0.00 H new ATOM 0 HA THR A 68 -19.788 7.729 -8.261 1.00 0.00 H new ATOM 0 HB THR A 68 -18.650 5.372 -6.703 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.494 5.016 -8.709 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.642 3.988 -8.489 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.884 4.899 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.367 5.446 -9.209 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.420 7.090 -5.101 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.483 6.985 -4.109 1.00 0.00 C ATOM 1003 C ILE A 69 -22.598 7.986 -4.389 1.00 0.00 C ATOM 1004 O ILE A 69 -23.778 7.685 -4.206 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.947 7.216 -2.684 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.122 6.012 -2.224 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.096 7.475 -1.721 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.300 6.281 -0.983 1.00 0.00 C ATOM 0 H ILE A 69 -19.479 7.122 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.881 5.973 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.301 8.094 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.793 5.175 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.456 5.708 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.701 7.636 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.646 8.360 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.765 6.615 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.741 5.384 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.604 7.097 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.961 6.556 -0.161 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.217 9.178 -4.836 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.185 10.224 -5.145 1.00 0.00 C ATOM 1022 C LEU A 70 -23.667 10.113 -6.588 1.00 0.00 C ATOM 1023 O LEU A 70 -24.860 9.954 -6.844 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.568 11.604 -4.906 1.00 0.00 C ATOM 1025 CG LEU A 70 -22.047 11.870 -3.493 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -21.159 13.105 -3.476 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -23.204 12.029 -2.519 1.00 0.00 C ATOM 0 H LEU A 70 -21.245 9.444 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 70 -24.043 10.096 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.744 11.738 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.316 12.361 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.450 11.014 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.797 13.279 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -20.310 12.952 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.732 13.970 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.814 12.218 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.828 12.867 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.800 11.116 -2.510 1.00 0.00 H new