USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 392 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 360 CYS SG : rot 16:sc= -4.19! USER MOD Set 1.2: A 363 CYS SG : rot -70:sc= -4.17! USER MOD Set 1.3: A 382 CYS SG : rot -116:sc= -4.08! USER MOD Set 1.4: A 385 CYS SG : rot 32:sc= -1.45 USER MOD Set 2.1: A 345 CYS SG : rot 161:sc= 1.99 USER MOD Set 2.2: A 348 CYS SG : rot 100:sc= -0.964! USER MOD Set 2.3: A 368 CYS SG : rot 104:sc= -5.79! USER MOD Set 2.4: A 371 CYS SG : rot 76:sc= -1.38! USER MOD Single : A 332 GLN :FLIP amide:sc= -0.0236 F(o=-1.3!,f=-0.024) USER MOD Single : A 339 TYR OH : rot 180:sc= 0 USER MOD Single : A 340 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 346 TYR OH : rot 30:sc= -3.15! USER MOD Single : A 349 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 353 LYS NZ :NH3+ -168:sc= -0.0358 (180deg=-0.324) USER MOD Single : A 355 GLN :FLIP amide:sc= -0.193 F(o=-1.6!,f=-0.19) USER MOD Single : A 356 HIS :FLIP no HD1:sc= -0.0372 F(o=-2.2!,f=-0.037) USER MOD Single : A 358 TYR OH : rot 38:sc= 0.964 USER MOD Single : A 364 GLN : amide:sc= -7.63! C(o=-7.6!,f=-10!) USER MOD Single : A 365 ASN : amide:sc= -2.02 X(o=-2,f=-1.7) USER MOD Single : A 376 HIS :FLIP no HD1:sc= -0.0404 F(o=-1,f=-0.04) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 HIS :FLIP no HE2:sc= 0.99 F(o=-5.1!,f=0.99) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N PHE A 331 -0.875 -2.908 8.678 1.00 0.00 N ATOM 43 CA PHE A 331 -0.223 -1.661 8.320 1.00 0.00 C ATOM 44 C PHE A 331 1.053 -1.453 9.036 1.00 0.00 C ATOM 45 O PHE A 331 1.140 -1.485 10.268 1.00 0.00 O ATOM 46 CB PHE A 331 -1.136 -0.507 8.747 1.00 0.00 C ATOM 47 CG PHE A 331 -2.411 -0.438 8.015 1.00 0.00 C ATOM 48 CD1 PHE A 331 -3.528 -1.145 8.429 1.00 0.00 C ATOM 49 CD2 PHE A 331 -2.478 0.300 6.880 1.00 0.00 C ATOM 50 CE1 PHE A 331 -4.687 -1.092 7.697 1.00 0.00 C ATOM 51 CE2 PHE A 331 -3.606 0.350 6.148 1.00 0.00 C ATOM 52 CZ PHE A 331 -4.715 -0.338 6.547 1.00 0.00 C ATOM 0 HA PHE A 331 -0.030 -1.698 7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 331 -1.347 -0.602 9.812 1.00 0.00 H new ATOM 0 HB3 PHE A 331 -0.601 0.433 8.611 1.00 0.00 H new ATOM 0 HD1 PHE A 331 -3.486 -1.739 9.330 1.00 0.00 H new ATOM 0 HD2 PHE A 331 -1.611 0.858 6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 331 -5.564 -1.634 8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 331 -3.634 0.937 5.242 1.00 0.00 H new ATOM 0 HZ PHE A 331 -5.618 -0.290 5.957 1.00 0.00 H new ATOM 62 N GLN A 332 2.023 -1.176 8.241 1.00 0.00 N ATOM 63 CA GLN A 332 3.314 -0.911 8.667 1.00 0.00 C ATOM 64 C GLN A 332 3.828 0.213 7.836 1.00 0.00 C ATOM 65 O GLN A 332 3.364 0.383 6.644 1.00 0.00 O ATOM 66 CB GLN A 332 4.200 -2.158 8.459 1.00 0.00 C ATOM 67 CG GLN A 332 5.624 -2.030 9.009 1.00 0.00 C ATOM 68 CD GLN A 332 5.707 -2.092 10.523 1.00 0.00 C ATOM 69 OE1 GLN A 332 4.862 -2.865 11.127 1.00 0.00 O flip ATOM 70 NE2 GLN A 332 6.579 -1.474 11.133 1.00 0.00 N flip ATOM 0 H GLN A 332 1.913 -1.130 7.228 1.00 0.00 H new ATOM 0 HA GLN A 332 3.328 -0.652 9.726 1.00 0.00 H new ATOM 0 HB2 GLN A 332 3.718 -3.013 8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 332 4.255 -2.374 7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 332 6.238 -2.826 8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 332 6.050 -1.086 8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 332 7.228 -0.874 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 332 6.652 -1.562 12.147 1.00 0.00 H new ATOM 79 N GLU A 333 4.685 1.006 8.429 1.00 0.00 N ATOM 80 CA GLU A 333 5.538 1.823 7.681 1.00 0.00 C ATOM 81 C GLU A 333 6.890 1.182 7.745 1.00 0.00 C ATOM 82 O GLU A 333 7.543 1.118 8.780 1.00 0.00 O ATOM 83 CB GLU A 333 5.495 3.311 8.067 1.00 0.00 C ATOM 84 CG GLU A 333 6.043 3.687 9.417 1.00 0.00 C ATOM 85 CD GLU A 333 5.865 5.158 9.708 1.00 0.00 C ATOM 86 OE1 GLU A 333 5.433 5.920 8.805 1.00 0.00 O ATOM 87 OE2 GLU A 333 6.181 5.590 10.824 1.00 0.00 O ATOM 0 H GLU A 333 4.792 1.086 9.440 1.00 0.00 H new ATOM 0 HA GLU A 333 5.207 1.879 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 333 6.044 3.872 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 333 4.458 3.643 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 333 5.542 3.101 10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 333 7.102 3.434 9.462 1.00 0.00 H new ATOM 94 N ILE A 334 7.265 0.675 6.638 1.00 0.00 N ATOM 95 CA ILE A 334 8.442 -0.111 6.502 1.00 0.00 C ATOM 96 C ILE A 334 9.472 0.795 5.968 1.00 0.00 C ATOM 97 O ILE A 334 9.136 1.659 5.156 1.00 0.00 O ATOM 98 CB ILE A 334 8.202 -1.273 5.488 1.00 0.00 C ATOM 99 CG1 ILE A 334 6.708 -1.650 5.506 1.00 0.00 C ATOM 100 CG2 ILE A 334 9.078 -2.473 5.841 1.00 0.00 C ATOM 101 CD1 ILE A 334 6.337 -2.950 4.818 1.00 0.00 C ATOM 0 H ILE A 334 6.749 0.795 5.766 1.00 0.00 H new ATOM 0 HA ILE A 334 8.735 -0.552 7.455 1.00 0.00 H new ATOM 0 HB ILE A 334 8.475 -0.951 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 334 6.381 -1.707 6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 334 6.145 -0.842 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 334 8.900 -3.276 5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 334 10.127 -2.181 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 334 8.832 -2.820 6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 334 5.261 -3.109 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 334 6.621 -2.899 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 334 6.861 -3.777 5.296 1.00 0.00 H new ATOM 113 N PRO A 335 10.698 0.758 6.458 1.00 0.00 N ATOM 114 CA PRO A 335 11.718 1.552 5.926 1.00 0.00 C ATOM 115 C PRO A 335 11.940 1.119 4.532 1.00 0.00 C ATOM 116 O PRO A 335 11.772 -0.080 4.197 1.00 0.00 O ATOM 117 CB PRO A 335 12.915 1.288 6.849 1.00 0.00 C ATOM 118 CG PRO A 335 12.247 0.772 8.048 1.00 0.00 C ATOM 119 CD PRO A 335 11.243 -0.113 7.474 1.00 0.00 C ATOM 0 HA PRO A 335 11.510 2.621 5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 335 13.611 0.565 6.423 1.00 0.00 H new ATOM 0 HB3 PRO A 335 13.484 2.195 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 335 12.936 0.238 8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 335 11.798 1.569 8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 335 11.677 -1.021 7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 335 10.494 -0.424 8.203 1.00 0.00 H new ATOM 127 N LEU A 336 12.299 2.035 3.736 1.00 0.00 N ATOM 128 CA LEU A 336 12.565 1.801 2.360 1.00 0.00 C ATOM 129 C LEU A 336 13.667 0.760 2.250 1.00 0.00 C ATOM 130 O LEU A 336 13.710 -0.047 1.328 1.00 0.00 O ATOM 131 CB LEU A 336 13.014 3.102 1.763 1.00 0.00 C ATOM 132 CG LEU A 336 12.011 4.242 1.852 1.00 0.00 C ATOM 133 CD1 LEU A 336 12.651 5.463 1.328 1.00 0.00 C ATOM 134 CD2 LEU A 336 10.796 3.943 0.985 1.00 0.00 C ATOM 0 H LEU A 336 12.424 3.007 4.020 1.00 0.00 H new ATOM 0 HA LEU A 336 11.683 1.435 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 336 13.934 3.411 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 336 13.257 2.936 0.714 1.00 0.00 H new ATOM 0 HG LEU A 336 11.700 4.366 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 336 11.948 6.294 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 336 13.534 5.695 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 336 12.944 5.303 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 336 10.086 4.767 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.109 3.824 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 336 10.322 3.024 1.328 1.00 0.00 H new ATOM 146 N GLU A 337 14.545 0.826 3.222 1.00 0.00 N ATOM 147 CA GLU A 337 15.699 -0.003 3.340 1.00 0.00 C ATOM 148 C GLU A 337 15.341 -1.509 3.411 1.00 0.00 C ATOM 149 O GLU A 337 15.881 -2.328 2.665 1.00 0.00 O ATOM 150 CB GLU A 337 16.219 0.320 4.725 1.00 0.00 C ATOM 151 CG GLU A 337 17.563 -0.262 5.072 1.00 0.00 C ATOM 152 CD GLU A 337 17.965 0.034 6.484 1.00 0.00 C ATOM 153 OE1 GLU A 337 17.202 0.691 7.218 1.00 0.00 O ATOM 154 OE2 GLU A 337 19.060 -0.392 6.892 1.00 0.00 O ATOM 0 H GLU A 337 14.461 1.497 3.986 1.00 0.00 H new ATOM 0 HA GLU A 337 16.369 0.167 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 337 16.276 1.404 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 337 15.492 -0.032 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 337 17.538 -1.341 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 337 18.315 0.137 4.392 1.00 0.00 H new ATOM 161 N GLU A 338 14.417 -1.847 4.315 1.00 0.00 N ATOM 162 CA GLU A 338 14.017 -3.235 4.532 1.00 0.00 C ATOM 163 C GLU A 338 13.235 -3.843 3.410 1.00 0.00 C ATOM 164 O GLU A 338 13.412 -5.001 3.069 1.00 0.00 O ATOM 165 CB GLU A 338 13.178 -3.386 5.797 1.00 0.00 C ATOM 166 CG GLU A 338 13.871 -3.077 7.105 1.00 0.00 C ATOM 167 CD GLU A 338 12.956 -3.328 8.294 1.00 0.00 C ATOM 168 OE1 GLU A 338 11.735 -3.528 8.106 1.00 0.00 O ATOM 169 OE2 GLU A 338 13.443 -3.360 9.442 1.00 0.00 O ATOM 0 H GLU A 338 13.932 -1.174 4.909 1.00 0.00 H new ATOM 0 HA GLU A 338 14.966 -3.764 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 338 12.308 -2.735 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 338 12.807 -4.410 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 338 14.766 -3.692 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 338 14.197 -2.037 7.108 1.00 0.00 H new ATOM 176 N TYR A 339 12.397 -3.028 2.835 1.00 0.00 N ATOM 177 CA TYR A 339 11.287 -3.527 2.073 1.00 0.00 C ATOM 178 C TYR A 339 11.570 -4.403 0.850 1.00 0.00 C ATOM 179 O TYR A 339 10.925 -5.449 0.716 1.00 0.00 O ATOM 180 CB TYR A 339 10.276 -2.404 1.873 1.00 0.00 C ATOM 181 CG TYR A 339 9.010 -2.755 1.157 1.00 0.00 C ATOM 182 CD1 TYR A 339 8.002 -3.442 1.804 1.00 0.00 C ATOM 183 CD2 TYR A 339 8.771 -2.301 -0.123 1.00 0.00 C ATOM 184 CE1 TYR A 339 6.798 -3.683 1.191 1.00 0.00 C ATOM 185 CE2 TYR A 339 7.571 -2.547 -0.743 1.00 0.00 C ATOM 186 CZ TYR A 339 6.589 -3.240 -0.081 1.00 0.00 C ATOM 187 OH TYR A 339 5.381 -3.465 -0.685 1.00 0.00 O ATOM 0 H TYR A 339 12.462 -2.011 2.880 1.00 0.00 H new ATOM 0 HA TYR A 339 10.837 -4.310 2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 339 10.013 -2.006 2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 339 10.766 -1.600 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 339 8.164 -3.796 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 339 9.537 -1.745 -0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 339 6.021 -4.221 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 339 7.400 -2.196 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 339 5.392 -3.086 -1.589 1.00 0.00 H new ATOM 197 N ASN A 340 12.531 -4.025 -0.007 1.00 0.00 N ATOM 198 CA ASN A 340 12.952 -4.890 -1.161 1.00 0.00 C ATOM 199 C ASN A 340 11.734 -5.293 -2.013 1.00 0.00 C ATOM 200 O ASN A 340 11.686 -6.392 -2.552 1.00 0.00 O ATOM 201 CB ASN A 340 13.691 -6.171 -0.680 1.00 0.00 C ATOM 202 CG ASN A 340 14.982 -5.919 0.075 1.00 0.00 C ATOM 203 OD1 ASN A 340 15.646 -4.910 -0.111 1.00 0.00 O ATOM 204 ND2 ASN A 340 15.354 -6.845 0.919 1.00 0.00 N ATOM 0 H ASN A 340 13.036 -3.141 0.060 1.00 0.00 H new ATOM 0 HA ASN A 340 13.641 -4.301 -1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 340 13.018 -6.742 -0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 340 13.910 -6.794 -1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 340 16.221 -6.737 1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 340 14.777 -7.676 1.052 1.00 0.00 H new ATOM 211 N GLY A 341 10.836 -4.381 -2.247 1.00 0.00 N ATOM 212 CA GLY A 341 9.540 -4.774 -2.750 1.00 0.00 C ATOM 213 C GLY A 341 8.870 -3.701 -3.532 1.00 0.00 C ATOM 214 O GLY A 341 9.539 -2.793 -4.024 1.00 0.00 O ATOM 0 H GLY A 341 10.966 -3.380 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 341 9.653 -5.657 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 341 8.902 -5.058 -1.913 1.00 0.00 H new ATOM 218 N GLU A 342 7.543 -3.808 -3.659 1.00 0.00 N ATOM 219 CA GLU A 342 6.772 -2.860 -4.433 1.00 0.00 C ATOM 220 C GLU A 342 6.863 -1.422 -3.983 1.00 0.00 C ATOM 221 O GLU A 342 6.357 -1.000 -2.976 1.00 0.00 O ATOM 222 CB GLU A 342 5.342 -3.322 -4.657 1.00 0.00 C ATOM 223 CG GLU A 342 5.283 -4.517 -5.565 1.00 0.00 C ATOM 224 CD GLU A 342 5.995 -4.204 -6.864 1.00 0.00 C ATOM 225 OE1 GLU A 342 5.718 -3.141 -7.472 1.00 0.00 O ATOM 226 OE2 GLU A 342 6.879 -4.968 -7.264 1.00 0.00 O ATOM 0 H GLU A 342 6.989 -4.549 -3.229 1.00 0.00 H new ATOM 0 HA GLU A 342 7.265 -2.850 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 342 4.885 -3.569 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 342 4.759 -2.508 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 342 5.748 -5.377 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 342 4.245 -4.785 -5.763 1.00 0.00 H new ATOM 233 N ARG A 343 7.534 -0.749 -4.822 1.00 0.00 N ATOM 234 CA ARG A 343 7.914 0.607 -4.830 1.00 0.00 C ATOM 235 C ARG A 343 7.002 1.762 -4.824 1.00 0.00 C ATOM 236 O ARG A 343 7.410 2.863 -4.447 1.00 0.00 O ATOM 237 CB ARG A 343 8.773 0.778 -6.097 1.00 0.00 C ATOM 238 CG ARG A 343 9.779 -0.366 -6.235 1.00 0.00 C ATOM 239 CD ARG A 343 10.633 -0.196 -7.494 1.00 0.00 C ATOM 240 NE ARG A 343 11.598 -1.313 -7.606 1.00 0.00 N ATOM 241 CZ ARG A 343 12.489 -1.445 -8.611 1.00 0.00 C ATOM 242 NH1 ARG A 343 12.519 -0.518 -9.579 1.00 0.00 N ATOM 243 NH2 ARG A 343 13.331 -2.487 -8.641 1.00 0.00 N ATOM 0 H ARG A 343 7.889 -1.213 -5.658 1.00 0.00 H new ATOM 0 HA ARG A 343 8.325 0.690 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 343 8.129 0.809 -6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 343 9.302 1.730 -6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 343 10.423 -0.397 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 343 9.249 -1.318 -6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 343 9.993 -0.167 -8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 343 11.166 0.754 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 343 11.589 -2.028 -6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 343 11.875 0.272 -9.549 1.00 0.00 H new ATOM 0 HH12 ARG A 343 13.186 -0.603 -10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 343 13.302 -3.188 -7.901 1.00 0.00 H new ATOM 0 HH22 ARG A 343 14.001 -2.579 -9.404 1.00 0.00 H new ATOM 257 N PHE A 344 5.849 1.600 -5.338 1.00 0.00 N ATOM 258 CA PHE A 344 5.001 2.724 -5.554 1.00 0.00 C ATOM 259 C PHE A 344 3.661 2.592 -4.807 1.00 0.00 C ATOM 260 O PHE A 344 3.233 1.493 -4.502 1.00 0.00 O ATOM 261 CB PHE A 344 4.650 2.719 -6.917 1.00 0.00 C ATOM 262 CG PHE A 344 5.810 2.767 -7.926 1.00 0.00 C ATOM 263 CD1 PHE A 344 6.367 3.958 -8.324 1.00 0.00 C ATOM 264 CD2 PHE A 344 6.335 1.589 -8.456 1.00 0.00 C ATOM 265 CE1 PHE A 344 7.415 3.994 -9.219 1.00 0.00 C ATOM 266 CE2 PHE A 344 7.381 1.616 -9.353 1.00 0.00 C ATOM 267 CZ PHE A 344 7.923 2.821 -9.736 1.00 0.00 C ATOM 0 H PHE A 344 5.459 0.701 -5.622 1.00 0.00 H new ATOM 0 HA PHE A 344 5.532 3.614 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 344 4.063 1.822 -7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 344 3.999 3.573 -7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 344 5.976 4.884 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 344 5.915 0.640 -8.159 1.00 0.00 H new ATOM 0 HE1 PHE A 344 7.839 4.942 -9.516 1.00 0.00 H new ATOM 0 HE2 PHE A 344 7.774 0.694 -9.754 1.00 0.00 H new ATOM 0 HZ PHE A 344 8.743 2.848 -10.439 1.00 0.00 H new ATOM 277 N CYS A 345 2.973 3.742 -4.545 1.00 0.00 N ATOM 278 CA CYS A 345 1.675 3.685 -3.899 1.00 0.00 C ATOM 279 C CYS A 345 0.683 3.364 -5.032 1.00 0.00 C ATOM 280 O CYS A 345 0.975 3.755 -6.180 1.00 0.00 O ATOM 281 CB CYS A 345 1.238 5.048 -3.337 1.00 0.00 C ATOM 282 SG CYS A 345 0.762 6.233 -4.618 1.00 0.00 S ATOM 0 H CYS A 345 3.303 4.680 -4.772 1.00 0.00 H new ATOM 0 HA CYS A 345 1.709 2.966 -3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 345 0.398 4.901 -2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 345 2.053 5.468 -2.748 1.00 0.00 H new ATOM 0 HG CYS A 345 0.036 7.173 -4.091 1.00 0.00 H new ATOM 287 N TYR A 346 -0.452 2.682 -4.806 1.00 0.00 N ATOM 288 CA TYR A 346 -1.340 2.486 -5.976 1.00 0.00 C ATOM 289 C TYR A 346 -1.938 3.861 -6.450 1.00 0.00 C ATOM 290 O TYR A 346 -2.050 4.104 -7.617 1.00 0.00 O ATOM 291 CB TYR A 346 -2.510 1.448 -5.779 1.00 0.00 C ATOM 292 CG TYR A 346 -3.784 1.936 -5.116 1.00 0.00 C ATOM 293 CD1 TYR A 346 -4.747 2.504 -5.905 1.00 0.00 C ATOM 294 CD2 TYR A 346 -4.059 1.768 -3.779 1.00 0.00 C ATOM 295 CE1 TYR A 346 -5.908 2.920 -5.403 1.00 0.00 C ATOM 296 CE2 TYR A 346 -5.222 2.156 -3.227 1.00 0.00 C ATOM 297 CZ TYR A 346 -6.171 2.767 -4.091 1.00 0.00 C ATOM 298 OH TYR A 346 -7.345 3.215 -3.652 1.00 0.00 O ATOM 0 H TYR A 346 -0.762 2.289 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 346 -0.690 2.054 -6.737 1.00 0.00 H new ATOM 0 HB2 TYR A 346 -2.774 1.050 -6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 346 -2.124 0.616 -5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 346 -4.560 2.618 -6.963 1.00 0.00 H new ATOM 0 HD2 TYR A 346 -3.313 1.307 -3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 346 -6.640 3.381 -6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 346 -5.426 2.010 -2.176 1.00 0.00 H new ATOM 0 HH TYR A 346 -8.008 3.153 -4.371 1.00 0.00 H new ATOM 308 N GLY A 347 -2.271 4.775 -5.480 1.00 0.00 N ATOM 309 CA GLY A 347 -3.012 6.026 -5.831 1.00 0.00 C ATOM 310 C GLY A 347 -2.352 6.945 -6.854 1.00 0.00 C ATOM 311 O GLY A 347 -2.974 7.318 -7.837 1.00 0.00 O ATOM 0 H GLY A 347 -2.047 4.673 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 347 -3.995 5.745 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 347 -3.173 6.595 -4.915 1.00 0.00 H new ATOM 315 N CYS A 348 -1.095 7.303 -6.622 1.00 0.00 N ATOM 316 CA CYS A 348 -0.338 8.109 -7.592 1.00 0.00 C ATOM 317 C CYS A 348 -0.038 7.284 -8.827 1.00 0.00 C ATOM 318 O CYS A 348 0.017 7.794 -9.941 1.00 0.00 O ATOM 319 CB CYS A 348 1.055 8.603 -7.051 1.00 0.00 C ATOM 320 SG CYS A 348 1.124 9.658 -5.561 1.00 0.00 S ATOM 0 H CYS A 348 -0.575 7.054 -5.780 1.00 0.00 H new ATOM 0 HA CYS A 348 -0.969 8.973 -7.801 1.00 0.00 H new ATOM 0 HB2 CYS A 348 1.660 7.718 -6.852 1.00 0.00 H new ATOM 0 HB3 CYS A 348 1.544 9.148 -7.859 1.00 0.00 H new ATOM 0 HG CYS A 348 1.430 8.931 -4.528 1.00 0.00 H new ATOM 325 N GLN A 349 0.138 5.956 -8.583 1.00 0.00 N ATOM 326 CA GLN A 349 0.853 5.100 -9.519 1.00 0.00 C ATOM 327 C GLN A 349 2.214 5.732 -9.652 1.00 0.00 C ATOM 328 O GLN A 349 2.770 5.963 -10.734 1.00 0.00 O ATOM 329 CB GLN A 349 0.096 4.828 -10.817 1.00 0.00 C ATOM 330 CG GLN A 349 -1.196 4.117 -10.499 1.00 0.00 C ATOM 331 CD GLN A 349 -2.063 3.779 -11.657 1.00 0.00 C ATOM 332 OE1 GLN A 349 -2.054 4.438 -12.703 1.00 0.00 O ATOM 333 NE2 GLN A 349 -2.846 2.760 -11.469 1.00 0.00 N ATOM 0 H GLN A 349 -0.208 5.477 -7.751 1.00 0.00 H new ATOM 0 HA GLN A 349 0.956 4.078 -9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 349 -0.109 5.765 -11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 349 0.705 4.220 -11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 349 -0.958 3.195 -9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 349 -1.769 4.740 -9.812 1.00 0.00 H new ATOM 0 HE21 GLN A 349 -2.815 2.249 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 349 -3.492 2.471 -12.203 1.00 0.00 H new ATOM 342 N GLY A 350 2.697 6.042 -8.470 1.00 0.00 N ATOM 343 CA GLY A 350 3.860 6.804 -8.219 1.00 0.00 C ATOM 344 C GLY A 350 4.481 6.264 -6.984 1.00 0.00 C ATOM 345 O GLY A 350 3.861 5.469 -6.323 1.00 0.00 O ATOM 0 H GLY A 350 2.241 5.738 -7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 350 4.552 6.737 -9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.610 7.858 -8.095 1.00 0.00 H new ATOM 349 N GLU A 351 5.520 6.840 -6.549 1.00 0.00 N ATOM 350 CA GLU A 351 6.463 6.155 -5.749 1.00 0.00 C ATOM 351 C GLU A 351 6.332 6.490 -4.268 1.00 0.00 C ATOM 352 O GLU A 351 6.025 7.617 -3.886 1.00 0.00 O ATOM 353 CB GLU A 351 7.886 6.354 -6.309 1.00 0.00 C ATOM 354 CG GLU A 351 8.939 5.500 -5.630 1.00 0.00 C ATOM 355 CD GLU A 351 10.337 5.740 -6.137 1.00 0.00 C ATOM 356 OE1 GLU A 351 10.540 6.610 -6.986 1.00 0.00 O ATOM 357 OE2 GLU A 351 11.264 5.040 -5.691 1.00 0.00 O ATOM 0 H GLU A 351 5.753 7.815 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 351 6.246 5.088 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 351 7.881 6.128 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 351 8.162 7.403 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 351 8.914 5.693 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 351 8.687 4.449 -5.771 1.00 0.00 H new ATOM 364 N LEU A 352 6.492 5.461 -3.486 1.00 0.00 N ATOM 365 CA LEU A 352 6.395 5.408 -2.013 1.00 0.00 C ATOM 366 C LEU A 352 7.448 6.289 -1.316 1.00 0.00 C ATOM 367 O LEU A 352 7.248 6.816 -0.227 1.00 0.00 O ATOM 368 CB LEU A 352 6.683 4.022 -1.547 1.00 0.00 C ATOM 369 CG LEU A 352 5.931 2.915 -2.066 1.00 0.00 C ATOM 370 CD1 LEU A 352 6.383 1.672 -1.328 1.00 0.00 C ATOM 371 CD2 LEU A 352 4.500 3.150 -1.876 1.00 0.00 C ATOM 0 H LEU A 352 6.714 4.545 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 352 5.390 5.751 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.735 3.824 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 352 6.564 4.014 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 352 6.102 2.793 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 352 5.831 0.808 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 352 7.449 1.519 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 352 6.195 1.793 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 352 3.937 2.305 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 352 4.287 3.261 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 352 4.208 4.059 -2.401 1.00 0.00 H new ATOM 383 N LYS A 353 8.508 6.443 -2.025 1.00 0.00 N ATOM 384 CA LYS A 353 9.872 6.710 -1.614 1.00 0.00 C ATOM 385 C LYS A 353 10.134 7.880 -0.601 1.00 0.00 C ATOM 386 O LYS A 353 11.202 7.885 0.008 1.00 0.00 O ATOM 387 CB LYS A 353 10.713 6.886 -2.872 1.00 0.00 C ATOM 388 CG LYS A 353 12.181 6.949 -2.632 1.00 0.00 C ATOM 389 CD LYS A 353 12.672 5.549 -2.313 1.00 0.00 C ATOM 390 CE LYS A 353 14.173 5.520 -2.059 1.00 0.00 C ATOM 391 NZ LYS A 353 14.933 6.151 -3.153 1.00 0.00 N ATOM 0 H LYS A 353 8.449 6.379 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 353 10.157 5.842 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 353 10.504 6.060 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 353 10.401 7.800 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 353 12.693 7.340 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 353 12.402 7.626 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 353 12.148 5.171 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 353 12.430 4.882 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 353 14.392 6.034 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 353 14.500 4.487 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 15.944 5.933 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 14.596 5.784 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 14.796 7.181 -3.122 1.00 0.00 H new ATOM 405 N ASP A 354 9.242 8.865 -0.448 1.00 0.00 N ATOM 406 CA ASP A 354 9.563 10.092 0.369 1.00 0.00 C ATOM 407 C ASP A 354 10.143 9.757 1.749 1.00 0.00 C ATOM 408 O ASP A 354 11.084 10.419 2.183 1.00 0.00 O ATOM 409 CB ASP A 354 8.303 10.939 0.624 1.00 0.00 C ATOM 410 CG ASP A 354 8.603 12.263 1.314 1.00 0.00 C ATOM 411 OD1 ASP A 354 8.908 13.252 0.612 1.00 0.00 O ATOM 412 OD2 ASP A 354 8.509 12.351 2.566 1.00 0.00 O ATOM 0 H ASP A 354 8.308 8.861 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 354 10.300 10.635 -0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 354 7.806 11.136 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 354 7.606 10.367 1.236 1.00 0.00 H new ATOM 417 N GLN A 355 9.655 8.715 2.404 1.00 0.00 N ATOM 418 CA GLN A 355 10.224 8.356 3.699 1.00 0.00 C ATOM 419 C GLN A 355 9.982 6.893 4.069 1.00 0.00 C ATOM 420 O GLN A 355 10.884 6.192 4.482 1.00 0.00 O ATOM 421 CB GLN A 355 9.781 9.348 4.785 1.00 0.00 C ATOM 422 CG GLN A 355 8.306 9.348 5.108 1.00 0.00 C ATOM 423 CD GLN A 355 7.902 10.545 5.939 1.00 0.00 C ATOM 424 OE1 GLN A 355 8.432 11.688 5.599 1.00 0.00 O flip ATOM 425 NE2 GLN A 355 7.018 10.460 6.784 1.00 0.00 N flip ATOM 0 H GLN A 355 8.894 8.120 2.078 1.00 0.00 H new ATOM 0 HA GLN A 355 11.308 8.441 3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 355 10.334 9.130 5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 355 10.066 10.352 4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 355 7.733 9.342 4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 355 8.054 8.434 5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 355 6.628 9.549 7.024 1.00 0.00 H new ATOM 0 HE22 GLN A 355 6.673 11.301 7.247 1.00 0.00 H new ATOM 434 N HIS A 356 8.765 6.448 3.918 1.00 0.00 N ATOM 435 CA HIS A 356 8.370 5.092 4.237 1.00 0.00 C ATOM 436 C HIS A 356 7.603 4.387 3.208 1.00 0.00 C ATOM 437 O HIS A 356 7.116 4.967 2.248 1.00 0.00 O ATOM 438 CB HIS A 356 7.698 4.885 5.597 1.00 0.00 C ATOM 439 CG HIS A 356 8.592 4.902 6.758 1.00 0.00 C ATOM 440 ND1 HIS A 356 9.319 3.890 7.229 1.00 0.00 N flip ATOM 441 CD2 HIS A 356 8.791 5.958 7.604 1.00 0.00 C flip ATOM 442 CE1 HIS A 356 9.953 4.328 8.354 1.00 0.00 C flip ATOM 443 NE2 HIS A 356 9.618 5.584 8.561 1.00 0.00 N flip ATOM 0 H HIS A 356 8.001 7.024 3.564 1.00 0.00 H new ATOM 0 HA HIS A 356 9.358 4.634 4.287 1.00 0.00 H new ATOM 0 HB2 HIS A 356 6.944 5.661 5.731 1.00 0.00 H new ATOM 0 HB3 HIS A 356 7.173 3.930 5.580 1.00 0.00 H new ATOM 0 HD2 HIS A 356 8.345 6.936 7.505 1.00 0.00 H new ATOM 0 HE1 HIS A 356 10.618 3.743 8.971 1.00 0.00 H new ATOM 0 HE2 HIS A 356 9.943 6.169 9.331 1.00 0.00 H new ATOM 452 N VAL A 357 7.499 3.117 3.454 1.00 0.00 N ATOM 453 CA VAL A 357 6.749 2.223 2.707 1.00 0.00 C ATOM 454 C VAL A 357 5.521 1.948 3.540 1.00 0.00 C ATOM 455 O VAL A 357 5.633 1.687 4.724 1.00 0.00 O ATOM 456 CB VAL A 357 7.552 0.926 2.644 1.00 0.00 C ATOM 457 CG1 VAL A 357 6.833 -0.086 1.906 1.00 0.00 C ATOM 458 CG2 VAL A 357 8.911 1.139 2.017 1.00 0.00 C ATOM 0 H VAL A 357 7.977 2.674 4.239 1.00 0.00 H new ATOM 0 HA VAL A 357 6.508 2.590 1.709 1.00 0.00 H new ATOM 0 HB VAL A 357 7.697 0.590 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 357 7.424 -1.001 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 357 5.880 -0.286 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 357 6.652 0.265 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 357 9.452 0.193 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 357 8.788 1.516 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 357 9.474 1.862 2.607 1.00 0.00 H new ATOM 468 N TYR A 358 4.397 2.033 2.951 1.00 0.00 N ATOM 469 CA TYR A 358 3.132 1.839 3.618 1.00 0.00 C ATOM 470 C TYR A 358 2.404 0.732 3.010 1.00 0.00 C ATOM 471 O TYR A 358 2.541 0.517 1.824 1.00 0.00 O ATOM 472 CB TYR A 358 2.345 3.127 3.533 1.00 0.00 C ATOM 473 CG TYR A 358 2.989 4.227 4.288 1.00 0.00 C ATOM 474 CD1 TYR A 358 2.753 4.372 5.637 1.00 0.00 C ATOM 475 CD2 TYR A 358 3.869 5.091 3.675 1.00 0.00 C ATOM 476 CE1 TYR A 358 3.370 5.354 6.355 1.00 0.00 C ATOM 477 CE2 TYR A 358 4.501 6.065 4.381 1.00 0.00 C ATOM 478 CZ TYR A 358 4.247 6.200 5.732 1.00 0.00 C ATOM 479 OH TYR A 358 4.885 7.175 6.468 1.00 0.00 O ATOM 0 H TYR A 358 4.305 2.246 1.958 1.00 0.00 H new ATOM 0 HA TYR A 358 3.293 1.585 4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 358 2.240 3.419 2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 358 1.339 2.963 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 358 2.070 3.699 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 358 4.060 4.993 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 358 3.167 5.463 7.410 1.00 0.00 H new ATOM 0 HE2 TYR A 358 5.197 6.729 3.889 1.00 0.00 H new ATOM 0 HH TYR A 358 5.114 6.820 7.352 1.00 0.00 H new ATOM 489 N VAL A 359 1.698 -0.036 3.783 1.00 0.00 N ATOM 490 CA VAL A 359 0.881 -1.061 3.134 1.00 0.00 C ATOM 491 C VAL A 359 -0.591 -1.032 3.597 1.00 0.00 C ATOM 492 O VAL A 359 -0.834 -0.726 4.740 1.00 0.00 O ATOM 493 CB VAL A 359 1.474 -2.495 3.436 1.00 0.00 C ATOM 494 CG1 VAL A 359 2.915 -2.618 2.965 1.00 0.00 C ATOM 495 CG2 VAL A 359 1.376 -2.852 4.910 1.00 0.00 C ATOM 0 H VAL A 359 1.657 0.005 4.801 1.00 0.00 H new ATOM 0 HA VAL A 359 0.904 -0.847 2.066 1.00 0.00 H new ATOM 0 HB VAL A 359 0.866 -3.203 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 359 3.287 -3.617 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.962 -2.447 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 359 3.530 -1.878 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 359 1.795 -3.845 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 359 1.932 -2.123 5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 359 0.330 -2.845 5.217 1.00 0.00 H new ATOM 505 N CYS A 360 -1.614 -1.333 2.704 1.00 0.00 N ATOM 506 CA CYS A 360 -2.920 -1.687 3.301 1.00 0.00 C ATOM 507 C CYS A 360 -3.115 -3.144 2.995 1.00 0.00 C ATOM 508 O CYS A 360 -3.542 -3.416 1.908 1.00 0.00 O ATOM 509 CB CYS A 360 -4.190 -1.025 2.665 1.00 0.00 C ATOM 510 SG CYS A 360 -5.700 -1.153 3.740 1.00 0.00 S ATOM 0 H CYS A 360 -1.555 -1.334 1.686 1.00 0.00 H new ATOM 0 HA CYS A 360 -2.861 -1.370 4.342 1.00 0.00 H new ATOM 0 HB2 CYS A 360 -3.982 0.026 2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 360 -4.395 -1.497 1.704 1.00 0.00 H new ATOM 0 HG CYS A 360 -5.345 -1.461 4.952 1.00 0.00 H new ATOM 515 N ALA A 361 -2.955 -4.083 3.909 1.00 0.00 N ATOM 516 CA ALA A 361 -3.162 -5.524 3.511 1.00 0.00 C ATOM 517 C ALA A 361 -4.623 -5.761 3.135 1.00 0.00 C ATOM 518 O ALA A 361 -4.994 -6.707 2.453 1.00 0.00 O ATOM 519 CB ALA A 361 -2.743 -6.477 4.606 1.00 0.00 C ATOM 0 H ALA A 361 -2.698 -3.923 4.883 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.530 -5.721 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.909 -7.503 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.686 -6.333 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.332 -6.283 5.502 1.00 0.00 H new ATOM 525 N VAL A 362 -5.402 -4.854 3.591 1.00 0.00 N ATOM 526 CA VAL A 362 -6.807 -4.830 3.425 1.00 0.00 C ATOM 527 C VAL A 362 -7.089 -4.504 1.979 1.00 0.00 C ATOM 528 O VAL A 362 -8.005 -5.015 1.366 1.00 0.00 O ATOM 529 CB VAL A 362 -7.506 -3.812 4.348 1.00 0.00 C ATOM 530 CG1 VAL A 362 -8.996 -3.860 4.140 1.00 0.00 C ATOM 531 CG2 VAL A 362 -7.142 -4.016 5.803 1.00 0.00 C ATOM 0 H VAL A 362 -5.054 -4.057 4.124 1.00 0.00 H new ATOM 0 HA VAL A 362 -7.207 -5.806 3.700 1.00 0.00 H new ATOM 0 HB VAL A 362 -7.150 -2.818 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -9.479 -3.137 4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -9.227 -3.618 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -9.363 -4.860 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -7.658 -3.276 6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -7.440 -5.017 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -6.065 -3.902 5.928 1.00 0.00 H new ATOM 541 N CYS A 363 -6.251 -3.602 1.422 1.00 0.00 N ATOM 542 CA CYS A 363 -6.479 -3.151 0.132 1.00 0.00 C ATOM 543 C CYS A 363 -5.162 -2.802 -0.616 1.00 0.00 C ATOM 544 O CYS A 363 -4.510 -1.815 -0.300 1.00 0.00 O ATOM 545 CB CYS A 363 -7.469 -1.979 0.110 1.00 0.00 C ATOM 546 SG CYS A 363 -6.837 -0.361 0.644 1.00 0.00 S ATOM 0 H CYS A 363 -5.432 -3.206 1.883 1.00 0.00 H new ATOM 0 HA CYS A 363 -6.936 -3.978 -0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 363 -7.851 -1.876 -0.906 1.00 0.00 H new ATOM 0 HB3 CYS A 363 -8.317 -2.239 0.744 1.00 0.00 H new ATOM 0 HG CYS A 363 -6.622 -0.381 1.926 1.00 0.00 H new ATOM 551 N GLN A 364 -4.811 -3.675 -1.591 1.00 0.00 N ATOM 552 CA GLN A 364 -3.677 -3.705 -2.646 1.00 0.00 C ATOM 553 C GLN A 364 -2.291 -3.604 -2.091 1.00 0.00 C ATOM 554 O GLN A 364 -1.287 -3.981 -2.668 1.00 0.00 O ATOM 555 CB GLN A 364 -3.906 -2.704 -3.719 1.00 0.00 C ATOM 556 CG GLN A 364 -3.813 -1.243 -3.237 1.00 0.00 C ATOM 557 CD GLN A 364 -2.391 -0.697 -3.019 1.00 0.00 C ATOM 558 OE1 GLN A 364 -1.454 -1.092 -3.666 1.00 0.00 O ATOM 559 NE2 GLN A 364 -2.251 0.278 -2.123 1.00 0.00 N ATOM 0 H GLN A 364 -5.381 -4.514 -1.702 1.00 0.00 H new ATOM 0 HA GLN A 364 -3.730 -4.704 -3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 364 -3.176 -2.862 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 364 -4.891 -2.871 -4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 364 -4.318 -0.608 -3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 364 -4.363 -1.154 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 364 -3.058 0.597 -1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 364 -1.337 0.706 -1.973 1.00 0.00 H new ATOM 568 N ASN A 365 -2.368 -3.155 -1.031 1.00 0.00 N ATOM 569 CA ASN A 365 -1.552 -3.159 0.008 1.00 0.00 C ATOM 570 C ASN A 365 -0.289 -2.295 -0.102 1.00 0.00 C ATOM 571 O ASN A 365 0.488 -2.421 0.742 1.00 0.00 O ATOM 572 CB ASN A 365 -1.149 -4.620 0.390 1.00 0.00 C ATOM 573 CG ASN A 365 -2.158 -5.807 0.197 1.00 0.00 C ATOM 574 OD1 ASN A 365 -1.750 -6.933 -0.025 1.00 0.00 O ATOM 575 ND2 ASN A 365 -3.437 -5.574 0.253 1.00 0.00 N ATOM 0 H ASN A 365 -3.214 -2.639 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 365 -2.144 -2.688 0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 365 -0.253 -4.865 -0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 365 -0.864 -4.609 1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 365 -4.101 -6.335 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 365 -3.776 -4.630 0.439 1.00 0.00 H new ATOM 582 N VAL A 366 -0.107 -1.346 -1.048 1.00 0.00 N ATOM 583 CA VAL A 366 1.111 -0.476 -0.917 1.00 0.00 C ATOM 584 C VAL A 366 0.799 1.095 -0.998 1.00 0.00 C ATOM 585 O VAL A 366 0.109 1.576 -1.924 1.00 0.00 O ATOM 586 CB VAL A 366 2.213 -0.918 -1.914 1.00 0.00 C ATOM 587 CG1 VAL A 366 3.477 -0.178 -1.668 1.00 0.00 C ATOM 588 CG2 VAL A 366 2.431 -2.405 -1.799 1.00 0.00 C ATOM 0 H VAL A 366 -0.717 -1.162 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 366 1.492 -0.625 0.093 1.00 0.00 H new ATOM 0 HB VAL A 366 1.887 -0.685 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 366 4.235 -0.505 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 366 3.302 0.891 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 366 3.823 -0.376 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 366 3.206 -2.714 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 366 2.742 -2.650 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 366 1.503 -2.928 -2.030 1.00 0.00 H new ATOM 598 N PHE A 367 1.316 1.867 -0.027 1.00 0.00 N ATOM 599 CA PHE A 367 1.084 3.331 0.128 1.00 0.00 C ATOM 600 C PHE A 367 2.271 4.274 0.259 1.00 0.00 C ATOM 601 O PHE A 367 3.347 3.911 0.686 1.00 0.00 O ATOM 602 CB PHE A 367 0.011 3.697 1.126 1.00 0.00 C ATOM 603 CG PHE A 367 -1.291 3.234 0.716 1.00 0.00 C ATOM 604 CD1 PHE A 367 -2.041 3.987 -0.146 1.00 0.00 C ATOM 605 CD2 PHE A 367 -1.766 2.049 1.159 1.00 0.00 C ATOM 606 CE1 PHE A 367 -3.263 3.549 -0.555 1.00 0.00 C ATOM 607 CE2 PHE A 367 -2.969 1.610 0.760 1.00 0.00 C ATOM 608 CZ PHE A 367 -3.733 2.348 -0.094 1.00 0.00 C ATOM 0 H PHE A 367 1.926 1.488 0.697 1.00 0.00 H new ATOM 0 HA PHE A 367 0.729 3.521 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 367 0.258 3.269 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 367 -0.013 4.779 1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 367 -1.662 4.933 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 367 -1.174 1.453 1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 367 -3.856 4.142 -1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 367 -3.337 0.660 1.120 1.00 0.00 H new ATOM 0 HZ PHE A 367 -4.703 1.988 -0.405 1.00 0.00 H new ATOM 618 N CYS A 368 1.958 5.535 -0.014 1.00 0.00 N ATOM 619 CA CYS A 368 2.859 6.689 0.122 1.00 0.00 C ATOM 620 C CYS A 368 2.434 7.414 1.286 1.00 0.00 C ATOM 621 O CYS A 368 1.313 7.200 1.770 1.00 0.00 O ATOM 622 CB CYS A 368 2.644 7.781 -0.868 1.00 0.00 C ATOM 623 SG CYS A 368 2.894 7.533 -2.484 1.00 0.00 S ATOM 0 H CYS A 368 1.032 5.800 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 368 3.859 6.259 0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 368 1.613 8.117 -0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 368 3.285 8.611 -0.570 1.00 0.00 H new ATOM 0 HG CYS A 368 1.749 7.409 -3.086 1.00 0.00 H new ATOM 628 N VAL A 369 3.250 8.341 1.686 1.00 0.00 N ATOM 629 CA VAL A 369 2.855 9.207 2.712 1.00 0.00 C ATOM 630 C VAL A 369 1.711 10.120 2.204 1.00 0.00 C ATOM 631 O VAL A 369 0.845 10.500 2.986 1.00 0.00 O ATOM 632 CB VAL A 369 4.012 10.077 3.293 1.00 0.00 C ATOM 633 CG1 VAL A 369 5.164 9.232 3.733 1.00 0.00 C ATOM 634 CG2 VAL A 369 4.498 11.143 2.316 1.00 0.00 C ATOM 0 H VAL A 369 4.184 8.503 1.310 1.00 0.00 H new ATOM 0 HA VAL A 369 2.514 8.577 3.533 1.00 0.00 H new ATOM 0 HB VAL A 369 3.593 10.589 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 369 5.952 9.871 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 369 4.832 8.539 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 369 5.549 8.670 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 369 5.303 11.717 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 369 4.865 10.664 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 369 3.673 11.810 2.066 1.00 0.00 H new ATOM 644 N ASP A 370 1.708 10.447 0.848 1.00 0.00 N ATOM 645 CA ASP A 370 0.635 11.333 0.264 1.00 0.00 C ATOM 646 C ASP A 370 -0.610 10.564 0.544 1.00 0.00 C ATOM 647 O ASP A 370 -1.639 11.030 0.904 1.00 0.00 O ATOM 648 CB ASP A 370 0.427 11.145 -1.263 1.00 0.00 C ATOM 649 CG ASP A 370 1.536 11.093 -2.188 1.00 0.00 C ATOM 650 OD1 ASP A 370 2.315 12.024 -2.337 1.00 0.00 O ATOM 651 OD2 ASP A 370 1.616 9.957 -2.838 1.00 0.00 O ATOM 0 H ASP A 370 2.405 10.123 0.177 1.00 0.00 H new ATOM 0 HA ASP A 370 0.849 12.347 0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 370 -0.133 10.219 -1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 370 -0.220 11.957 -1.594 1.00 0.00 H new ATOM 656 N CYS A 371 -0.423 9.305 0.265 1.00 0.00 N ATOM 657 CA CYS A 371 -1.455 8.420 0.144 1.00 0.00 C ATOM 658 C CYS A 371 -2.303 8.038 1.336 1.00 0.00 C ATOM 659 O CYS A 371 -3.459 7.711 1.163 1.00 0.00 O ATOM 660 CB CYS A 371 -1.186 7.447 -0.965 1.00 0.00 C ATOM 661 SG CYS A 371 -1.035 8.404 -2.522 1.00 0.00 S ATOM 0 H CYS A 371 0.498 8.891 0.118 1.00 0.00 H new ATOM 0 HA CYS A 371 -2.319 9.004 -0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 371 -0.271 6.888 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 371 -1.994 6.720 -1.040 1.00 0.00 H new ATOM 0 HG CYS A 371 0.121 8.998 -2.556 1.00 0.00 H new ATOM 666 N ASP A 372 -1.743 8.051 2.534 1.00 0.00 N ATOM 667 CA ASP A 372 -2.579 7.858 3.725 1.00 0.00 C ATOM 668 C ASP A 372 -3.641 8.988 3.854 1.00 0.00 C ATOM 669 O ASP A 372 -4.810 8.737 4.154 1.00 0.00 O ATOM 670 CB ASP A 372 -1.693 7.734 4.980 1.00 0.00 C ATOM 671 CG ASP A 372 -2.460 7.428 6.252 1.00 0.00 C ATOM 672 OD1 ASP A 372 -2.741 6.248 6.534 1.00 0.00 O ATOM 673 OD2 ASP A 372 -2.769 8.361 7.015 1.00 0.00 O ATOM 0 H ASP A 372 -0.748 8.188 2.714 1.00 0.00 H new ATOM 0 HA ASP A 372 -3.133 6.925 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -0.956 6.948 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 372 -1.142 8.665 5.116 1.00 0.00 H new ATOM 678 N VAL A 373 -3.200 10.223 3.579 1.00 0.00 N ATOM 679 CA VAL A 373 -4.038 11.445 3.516 1.00 0.00 C ATOM 680 C VAL A 373 -5.072 11.493 2.345 1.00 0.00 C ATOM 681 O VAL A 373 -6.084 12.209 2.413 1.00 0.00 O ATOM 682 CB VAL A 373 -3.278 12.811 3.769 1.00 0.00 C ATOM 683 CG1 VAL A 373 -2.400 13.236 2.629 1.00 0.00 C ATOM 684 CG2 VAL A 373 -4.240 13.929 4.152 1.00 0.00 C ATOM 0 H VAL A 373 -2.217 10.414 3.386 1.00 0.00 H new ATOM 0 HA VAL A 373 -4.660 11.332 4.404 1.00 0.00 H new ATOM 0 HB VAL A 373 -2.615 12.616 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 373 -1.913 14.179 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 373 -1.642 12.473 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 373 -3.005 13.365 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 373 -3.680 14.850 4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 373 -4.960 14.081 3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 373 -4.769 13.657 5.065 1.00 0.00 H new ATOM 694 N PHE A 374 -4.818 10.662 1.308 1.00 0.00 N ATOM 695 CA PHE A 374 -5.431 10.731 -0.074 1.00 0.00 C ATOM 696 C PHE A 374 -6.961 10.828 0.051 1.00 0.00 C ATOM 697 O PHE A 374 -7.639 11.570 -0.653 1.00 0.00 O ATOM 698 CB PHE A 374 -5.167 9.322 -0.758 1.00 0.00 C ATOM 699 CG PHE A 374 -5.493 9.154 -2.247 1.00 0.00 C ATOM 700 CD1 PHE A 374 -4.557 9.473 -3.226 1.00 0.00 C ATOM 701 CD2 PHE A 374 -6.710 8.672 -2.663 1.00 0.00 C ATOM 702 CE1 PHE A 374 -4.841 9.313 -4.569 1.00 0.00 C ATOM 703 CE2 PHE A 374 -6.992 8.512 -4.012 1.00 0.00 C ATOM 704 CZ PHE A 374 -6.059 8.834 -4.958 1.00 0.00 C ATOM 0 H PHE A 374 -4.158 9.889 1.396 1.00 0.00 H new ATOM 0 HA PHE A 374 -5.019 11.578 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 374 -4.113 9.080 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 374 -5.739 8.575 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 374 -3.590 9.853 -2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 374 -7.459 8.414 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 374 -4.099 9.567 -5.311 1.00 0.00 H new ATOM 0 HE2 PHE A 374 -7.955 8.130 -4.317 1.00 0.00 H new ATOM 0 HZ PHE A 374 -6.284 8.710 -6.007 1.00 0.00 H new ATOM 714 N VAL A 375 -7.437 10.069 0.958 1.00 0.00 N ATOM 715 CA VAL A 375 -8.829 9.809 1.214 1.00 0.00 C ATOM 716 C VAL A 375 -9.683 10.894 1.855 1.00 0.00 C ATOM 717 O VAL A 375 -10.871 10.987 1.529 1.00 0.00 O ATOM 718 CB VAL A 375 -8.892 8.600 2.103 1.00 0.00 C ATOM 719 CG1 VAL A 375 -8.224 7.549 1.399 1.00 0.00 C ATOM 720 CG2 VAL A 375 -8.191 8.808 3.437 1.00 0.00 C ATOM 0 H VAL A 375 -6.828 9.564 1.602 1.00 0.00 H new ATOM 0 HA VAL A 375 -9.263 9.704 0.220 1.00 0.00 H new ATOM 0 HB VAL A 375 -9.935 8.377 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -8.239 6.641 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -8.732 7.365 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -7.191 7.839 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -8.270 7.900 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -7.140 9.037 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -8.660 9.636 3.969 1.00 0.00 H new ATOM 730 N HIS A 376 -9.093 11.712 2.707 1.00 0.00 N ATOM 731 CA HIS A 376 -9.885 12.502 3.665 1.00 0.00 C ATOM 732 C HIS A 376 -10.977 13.401 3.106 1.00 0.00 C ATOM 733 O HIS A 376 -12.075 13.461 3.669 1.00 0.00 O ATOM 734 CB HIS A 376 -9.033 13.198 4.723 1.00 0.00 C ATOM 735 CG HIS A 376 -8.271 12.244 5.594 1.00 0.00 C ATOM 736 ND1 HIS A 376 -6.964 11.920 5.591 1.00 0.00 N flip ATOM 737 CD2 HIS A 376 -8.846 11.475 6.578 1.00 0.00 C flip ATOM 738 CE1 HIS A 376 -6.723 10.954 6.565 1.00 0.00 C flip ATOM 739 NE2 HIS A 376 -7.898 10.725 7.130 1.00 0.00 N flip ATOM 0 H HIS A 376 -8.085 11.854 2.765 1.00 0.00 H new ATOM 0 HA HIS A 376 -10.462 11.722 4.161 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -8.330 13.869 4.229 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -9.677 13.816 5.349 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -9.890 11.480 6.855 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -5.778 10.490 6.808 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -8.055 10.061 7.888 1.00 0.00 H new ATOM 747 N ASP A 377 -10.718 14.079 2.040 1.00 0.00 N ATOM 748 CA ASP A 377 -11.755 14.880 1.426 1.00 0.00 C ATOM 749 C ASP A 377 -12.450 14.101 0.335 1.00 0.00 C ATOM 750 O ASP A 377 -13.629 13.754 0.425 1.00 0.00 O ATOM 751 CB ASP A 377 -11.204 16.194 0.855 1.00 0.00 C ATOM 752 CG ASP A 377 -12.300 17.082 0.294 1.00 0.00 C ATOM 753 OD1 ASP A 377 -12.917 17.850 1.053 1.00 0.00 O ATOM 754 OD2 ASP A 377 -12.579 17.024 -0.923 1.00 0.00 O ATOM 0 H ASP A 377 -9.813 14.104 1.570 1.00 0.00 H new ATOM 0 HA ASP A 377 -12.473 15.129 2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 377 -10.669 16.732 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 377 -10.482 15.972 0.070 1.00 0.00 H new ATOM 759 N SER A 378 -11.681 13.830 -0.673 1.00 0.00 N ATOM 760 CA SER A 378 -12.100 13.244 -1.912 1.00 0.00 C ATOM 761 C SER A 378 -12.772 11.850 -1.835 1.00 0.00 C ATOM 762 O SER A 378 -13.670 11.575 -2.619 1.00 0.00 O ATOM 763 CB SER A 378 -10.896 13.208 -2.837 1.00 0.00 C ATOM 764 OG SER A 378 -10.321 14.502 -2.942 1.00 0.00 O ATOM 0 H SER A 378 -10.680 14.024 -0.653 1.00 0.00 H new ATOM 0 HA SER A 378 -12.903 13.878 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 378 -10.157 12.503 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 378 -11.196 12.854 -3.823 1.00 0.00 H new ATOM 0 HG SER A 378 -9.545 14.468 -3.539 1.00 0.00 H new ATOM 770 N LEU A 379 -12.363 10.975 -0.925 1.00 0.00 N ATOM 771 CA LEU A 379 -12.809 9.581 -1.051 1.00 0.00 C ATOM 772 C LEU A 379 -13.694 8.996 0.086 1.00 0.00 C ATOM 773 O LEU A 379 -14.870 9.343 0.294 1.00 0.00 O ATOM 774 CB LEU A 379 -11.607 8.608 -1.218 1.00 0.00 C ATOM 775 CG LEU A 379 -10.820 8.519 -2.504 1.00 0.00 C ATOM 776 CD1 LEU A 379 -10.007 9.776 -2.743 1.00 0.00 C ATOM 777 CD2 LEU A 379 -9.916 7.300 -2.388 1.00 0.00 C ATOM 0 H LEU A 379 -11.757 11.181 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 379 -13.442 9.647 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 379 -10.894 8.851 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 379 -11.983 7.606 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 379 -11.494 8.423 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 379 -9.453 9.679 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 379 -10.675 10.635 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 379 -9.308 9.919 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 379 -9.326 7.196 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 379 -9.248 7.422 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 379 -10.525 6.407 -2.247 1.00 0.00 H new ATOM 789 N HIS A 380 -13.034 8.120 0.780 1.00 0.00 N ATOM 790 CA HIS A 380 -13.474 7.130 1.703 1.00 0.00 C ATOM 791 C HIS A 380 -12.517 7.165 2.871 1.00 0.00 C ATOM 792 O HIS A 380 -11.575 7.924 2.824 1.00 0.00 O ATOM 793 CB HIS A 380 -13.414 5.792 0.922 1.00 0.00 C ATOM 794 CG HIS A 380 -13.652 4.527 1.677 1.00 0.00 C ATOM 795 ND1 HIS A 380 -12.756 3.562 1.939 1.00 0.00 N flip ATOM 796 CD2 HIS A 380 -14.823 4.133 2.258 1.00 0.00 C flip ATOM 797 CE1 HIS A 380 -13.340 2.566 2.679 1.00 0.00 C flip ATOM 798 NE2 HIS A 380 -14.598 2.953 2.854 1.00 0.00 N flip ATOM 0 H HIS A 380 -12.018 8.084 0.693 1.00 0.00 H new ATOM 0 HA HIS A 380 -14.481 7.278 2.092 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -14.147 5.843 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -12.432 5.722 0.455 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -11.783 3.569 1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -15.758 4.672 2.241 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -12.876 1.661 3.042 1.00 0.00 H new ATOM 806 N SER A 381 -12.799 6.441 3.924 1.00 0.00 N ATOM 807 CA SER A 381 -11.906 6.353 5.070 1.00 0.00 C ATOM 808 C SER A 381 -10.480 5.838 4.646 1.00 0.00 C ATOM 809 O SER A 381 -9.467 6.255 5.206 1.00 0.00 O ATOM 810 CB SER A 381 -12.548 5.438 6.100 1.00 0.00 C ATOM 811 OG SER A 381 -13.870 5.896 6.408 1.00 0.00 O ATOM 0 H SER A 381 -13.653 5.892 4.019 1.00 0.00 H new ATOM 0 HA SER A 381 -11.758 7.343 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 381 -12.588 4.418 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 381 -11.942 5.415 7.006 1.00 0.00 H new ATOM 0 HG SER A 381 -14.277 5.300 7.071 1.00 0.00 H new ATOM 817 N CYS A 382 -10.430 4.936 3.664 1.00 0.00 N ATOM 818 CA CYS A 382 -9.180 4.460 3.077 1.00 0.00 C ATOM 819 C CYS A 382 -9.346 4.585 1.562 1.00 0.00 C ATOM 820 O CYS A 382 -10.432 4.754 1.108 1.00 0.00 O ATOM 821 CB CYS A 382 -8.981 3.007 3.482 1.00 0.00 C ATOM 822 SG CYS A 382 -7.396 2.318 3.025 1.00 0.00 S ATOM 0 H CYS A 382 -11.262 4.514 3.252 1.00 0.00 H new ATOM 0 HA CYS A 382 -8.313 5.029 3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -9.100 2.925 4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -9.769 2.406 3.028 1.00 0.00 H new ATOM 0 HG CYS A 382 -7.571 1.360 2.164 1.00 0.00 H new ATOM 827 N PRO A 383 -8.304 4.576 0.742 1.00 0.00 N ATOM 828 CA PRO A 383 -8.523 4.681 -0.681 1.00 0.00 C ATOM 829 C PRO A 383 -8.946 3.351 -1.242 1.00 0.00 C ATOM 830 O PRO A 383 -10.082 3.135 -1.658 1.00 0.00 O ATOM 831 CB PRO A 383 -7.131 5.055 -1.236 1.00 0.00 C ATOM 832 CG PRO A 383 -6.243 5.221 -0.072 1.00 0.00 C ATOM 833 CD PRO A 383 -6.885 4.608 1.098 1.00 0.00 C ATOM 0 HA PRO A 383 -9.300 5.401 -0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -6.757 4.276 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -7.181 5.974 -1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -5.278 4.752 -0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -6.053 6.279 0.111 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -6.498 3.607 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -6.712 5.193 2.001 1.00 0.00 H new ATOM 841 N GLY A 384 -8.026 2.449 -1.135 1.00 0.00 N ATOM 842 CA GLY A 384 -8.129 1.135 -1.689 1.00 0.00 C ATOM 843 C GLY A 384 -9.289 0.326 -1.245 1.00 0.00 C ATOM 844 O GLY A 384 -9.661 -0.600 -1.918 1.00 0.00 O ATOM 0 H GLY A 384 -7.148 2.611 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 384 -8.168 1.223 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 384 -7.218 0.589 -1.447 1.00 0.00 H new ATOM 848 N CYS A 385 -9.780 0.580 -0.040 1.00 0.00 N ATOM 849 CA CYS A 385 -10.748 -0.324 0.524 1.00 0.00 C ATOM 850 C CYS A 385 -12.025 -0.545 -0.258 1.00 0.00 C ATOM 851 O CYS A 385 -12.509 -1.666 -0.273 1.00 0.00 O ATOM 852 CB CYS A 385 -10.931 -0.205 2.026 1.00 0.00 C ATOM 853 SG CYS A 385 -9.579 -0.948 3.031 1.00 0.00 S ATOM 0 H CYS A 385 -9.529 1.379 0.543 1.00 0.00 H new ATOM 0 HA CYS A 385 -10.249 -1.283 0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -11.019 0.850 2.285 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -11.872 -0.680 2.302 1.00 0.00 H new ATOM 0 HG CYS A 385 -8.454 -0.845 2.388 1.00 0.00 H new ATOM 858 N ILE A 386 -12.552 0.459 -0.932 1.00 0.00 N ATOM 859 CA ILE A 386 -13.650 0.185 -1.851 1.00 0.00 C ATOM 860 C ILE A 386 -13.201 -0.723 -3.015 1.00 0.00 C ATOM 861 O ILE A 386 -13.920 -1.626 -3.431 1.00 0.00 O ATOM 862 CB ILE A 386 -14.341 1.479 -2.374 1.00 0.00 C ATOM 863 CG1 ILE A 386 -14.859 2.329 -1.200 1.00 0.00 C ATOM 864 CG2 ILE A 386 -15.491 1.145 -3.330 1.00 0.00 C ATOM 865 CD1 ILE A 386 -15.707 1.559 -0.195 1.00 0.00 C ATOM 0 H ILE A 386 -12.257 1.433 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 386 -14.402 -0.354 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 386 -13.596 2.054 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -14.007 2.766 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -15.448 3.156 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -15.954 2.068 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -15.104 0.588 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -16.234 0.541 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -16.031 2.232 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -16.581 1.144 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -15.117 0.749 0.234 1.00 0.00 H new