USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 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 380 HIS : no HE2:sc= -31.6! C(o=-38!,f=-41!) USER MOD Set 1.2: A 385 CYS SG : rot -9:sc= -6.38! USER MOD Single : A 332 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 339 TYR OH : rot -129:sc= -1.04 USER MOD Single : A 340 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 346 TYR OH : rot 173:sc= -1.13 USER MOD Single : A 349 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 356 HIS :FLIP no HD1:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 358 TYR OH : rot 30:sc= -0.87 USER MOD Single : A 364 GLN :FLIP amide:sc= -4.87! C(o=-9!,f=-4.9!) USER MOD Single : A 365 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.6!) USER MOD Single : A 376 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.54) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 328 1.765 -8.751 1.987 1.00 0.00 N ATOM 2 CA LEU A 328 0.506 -9.387 2.163 1.00 0.00 C ATOM 3 C LEU A 328 0.139 -9.542 3.630 1.00 0.00 C ATOM 4 O LEU A 328 0.997 -9.777 4.491 1.00 0.00 O ATOM 5 CB LEU A 328 0.504 -10.731 1.428 1.00 0.00 C ATOM 6 CG LEU A 328 0.884 -10.677 -0.070 1.00 0.00 C ATOM 7 CD1 LEU A 328 0.757 -12.032 -0.725 1.00 0.00 C ATOM 8 CD2 LEU A 328 0.067 -9.649 -0.823 1.00 0.00 C ATOM 0 HA LEU A 328 -0.265 -8.749 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 328 1.196 -11.403 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 328 -0.489 -11.171 1.516 1.00 0.00 H new ATOM 0 HG LEU A 328 1.930 -10.373 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 328 1.032 -11.955 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 328 1.420 -12.740 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 328 -0.273 -12.380 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 328 0.366 -9.644 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 328 -0.991 -9.900 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 328 0.237 -8.662 -0.392 1.00 0.00 H new ATOM 20 N ASP A 329 -1.155 -9.329 3.851 1.00 0.00 N ATOM 21 CA ASP A 329 -1.920 -9.384 5.119 1.00 0.00 C ATOM 22 C ASP A 329 -1.319 -8.640 6.313 1.00 0.00 C ATOM 23 O ASP A 329 -1.500 -9.062 7.461 1.00 0.00 O ATOM 24 CB ASP A 329 -2.418 -10.817 5.514 1.00 0.00 C ATOM 25 CG ASP A 329 -1.377 -11.878 5.865 1.00 0.00 C ATOM 26 OD1 ASP A 329 -0.224 -11.573 6.197 1.00 0.00 O ATOM 27 OD2 ASP A 329 -1.743 -13.074 5.864 1.00 0.00 O ATOM 0 H ASP A 329 -1.769 -9.088 3.073 1.00 0.00 H new ATOM 0 HA ASP A 329 -2.802 -8.801 4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 329 -3.086 -10.712 6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 329 -3.016 -11.200 4.687 1.00 0.00 H new ATOM 32 N ALA A 330 -0.730 -7.471 6.088 1.00 0.00 N ATOM 33 CA ALA A 330 -0.208 -6.706 7.213 1.00 0.00 C ATOM 34 C ALA A 330 -0.293 -5.189 7.009 1.00 0.00 C ATOM 35 O ALA A 330 -0.349 -4.719 5.880 1.00 0.00 O ATOM 36 CB ALA A 330 1.235 -7.104 7.499 1.00 0.00 C ATOM 0 H ALA A 330 -0.604 -7.044 5.170 1.00 0.00 H new ATOM 0 HA ALA A 330 -0.842 -6.948 8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 330 1.612 -6.525 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 330 1.278 -8.166 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 330 1.848 -6.906 6.620 1.00 0.00 H new ATOM 42 N PHE A 331 -0.374 -4.443 8.117 1.00 0.00 N ATOM 43 CA PHE A 331 -0.148 -2.996 8.108 1.00 0.00 C ATOM 44 C PHE A 331 1.163 -2.624 8.708 1.00 0.00 C ATOM 45 O PHE A 331 1.480 -2.993 9.849 1.00 0.00 O ATOM 46 CB PHE A 331 -1.284 -2.170 8.726 1.00 0.00 C ATOM 47 CG PHE A 331 -2.509 -2.123 7.907 1.00 0.00 C ATOM 48 CD1 PHE A 331 -3.536 -3.038 8.010 1.00 0.00 C ATOM 49 CD2 PHE A 331 -2.615 -1.102 7.004 1.00 0.00 C ATOM 50 CE1 PHE A 331 -4.643 -2.917 7.180 1.00 0.00 C ATOM 51 CE2 PHE A 331 -3.687 -0.971 6.206 1.00 0.00 C ATOM 52 CZ PHE A 331 -4.703 -1.864 6.274 1.00 0.00 C ATOM 0 H PHE A 331 -0.596 -4.823 9.037 1.00 0.00 H new ATOM 0 HA PHE A 331 -0.130 -2.735 7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 331 -1.529 -2.584 9.704 1.00 0.00 H new ATOM 0 HB3 PHE A 331 -0.931 -1.152 8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 331 -3.480 -3.841 8.730 1.00 0.00 H new ATOM 0 HD2 PHE A 331 -1.814 -0.381 6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 331 -5.449 -3.634 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 331 -3.739 -0.150 5.507 1.00 0.00 H new ATOM 0 HZ PHE A 331 -5.560 -1.758 5.625 1.00 0.00 H new ATOM 62 N GLN A 332 1.921 -1.894 7.936 1.00 0.00 N ATOM 63 CA GLN A 332 3.203 -1.404 8.304 1.00 0.00 C ATOM 64 C GLN A 332 3.452 -0.047 7.731 1.00 0.00 C ATOM 65 O GLN A 332 2.827 0.351 6.710 1.00 0.00 O ATOM 66 CB GLN A 332 4.353 -2.338 7.909 1.00 0.00 C ATOM 67 CG GLN A 332 4.324 -3.684 8.582 1.00 0.00 C ATOM 68 CD GLN A 332 5.507 -4.545 8.210 1.00 0.00 C ATOM 69 OE1 GLN A 332 5.487 -5.258 7.209 1.00 0.00 O ATOM 70 NE2 GLN A 332 6.540 -4.491 9.006 1.00 0.00 N ATOM 0 H GLN A 332 1.642 -1.618 6.995 1.00 0.00 H new ATOM 0 HA GLN A 332 3.185 -1.349 9.392 1.00 0.00 H new ATOM 0 HB2 GLN A 332 4.330 -2.485 6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 332 5.298 -1.849 8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 332 4.306 -3.545 9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 332 3.404 -4.201 8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 332 6.520 -3.887 9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 332 7.368 -5.053 8.806 1.00 0.00 H new ATOM 79 N GLU A 333 4.376 0.604 8.358 1.00 0.00 N ATOM 80 CA GLU A 333 4.992 1.812 7.929 1.00 0.00 C ATOM 81 C GLU A 333 6.453 1.715 8.254 1.00 0.00 C ATOM 82 O GLU A 333 6.934 2.081 9.330 1.00 0.00 O ATOM 83 CB GLU A 333 4.287 3.054 8.474 1.00 0.00 C ATOM 84 CG GLU A 333 4.171 3.084 9.971 1.00 0.00 C ATOM 85 CD GLU A 333 3.425 4.275 10.465 1.00 0.00 C ATOM 86 OE1 GLU A 333 4.017 5.363 10.579 1.00 0.00 O ATOM 87 OE2 GLU A 333 2.225 4.144 10.762 1.00 0.00 O ATOM 0 H GLU A 333 4.746 0.278 9.251 1.00 0.00 H new ATOM 0 HA GLU A 333 4.894 1.937 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 333 4.829 3.941 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 333 3.288 3.111 8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 333 3.668 2.179 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 333 5.169 3.078 10.409 1.00 0.00 H new ATOM 94 N ILE A 334 7.131 1.097 7.342 1.00 0.00 N ATOM 95 CA ILE A 334 8.525 0.854 7.457 1.00 0.00 C ATOM 96 C ILE A 334 9.247 1.856 6.620 1.00 0.00 C ATOM 97 O ILE A 334 8.694 2.326 5.609 1.00 0.00 O ATOM 98 CB ILE A 334 8.895 -0.599 7.047 1.00 0.00 C ATOM 99 CG1 ILE A 334 8.431 -0.915 5.617 1.00 0.00 C ATOM 100 CG2 ILE A 334 8.305 -1.587 8.047 1.00 0.00 C ATOM 101 CD1 ILE A 334 8.718 -2.332 5.176 1.00 0.00 C ATOM 0 H ILE A 334 6.719 0.741 6.480 1.00 0.00 H new ATOM 0 HA ILE A 334 8.824 0.960 8.500 1.00 0.00 H new ATOM 0 HB ILE A 334 9.981 -0.694 7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 334 7.359 -0.733 5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 334 8.918 -0.225 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 334 8.568 -2.603 7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 334 8.704 -1.381 9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 334 7.220 -1.484 8.064 1.00 0.00 H new ATOM 0 HD11 ILE A 334 8.360 -2.475 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 334 9.792 -2.514 5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 334 8.209 -3.030 5.840 1.00 0.00 H new ATOM 113 N PRO A 335 10.414 2.314 7.055 1.00 0.00 N ATOM 114 CA PRO A 335 11.204 3.241 6.305 1.00 0.00 C ATOM 115 C PRO A 335 11.589 2.615 5.026 1.00 0.00 C ATOM 116 O PRO A 335 11.783 1.395 4.962 1.00 0.00 O ATOM 117 CB PRO A 335 12.406 3.487 7.217 1.00 0.00 C ATOM 118 CG PRO A 335 11.836 3.182 8.536 1.00 0.00 C ATOM 119 CD PRO A 335 11.113 1.943 8.276 1.00 0.00 C ATOM 0 HA PRO A 335 10.699 4.171 6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 335 13.247 2.838 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 335 12.767 4.513 7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 335 12.609 3.052 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 335 11.175 3.974 8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 335 11.780 1.093 8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 335 10.430 1.681 9.084 1.00 0.00 H new ATOM 127 N LEU A 336 11.675 3.398 4.022 1.00 0.00 N ATOM 128 CA LEU A 336 12.044 2.921 2.732 1.00 0.00 C ATOM 129 C LEU A 336 13.435 2.255 2.807 1.00 0.00 C ATOM 130 O LEU A 336 13.715 1.305 2.112 1.00 0.00 O ATOM 131 CB LEU A 336 11.890 4.018 1.673 1.00 0.00 C ATOM 132 CG LEU A 336 12.091 3.648 0.194 1.00 0.00 C ATOM 133 CD1 LEU A 336 13.518 3.877 -0.246 1.00 0.00 C ATOM 134 CD2 LEU A 336 11.636 2.221 -0.127 1.00 0.00 C ATOM 0 H LEU A 336 11.491 4.400 4.064 1.00 0.00 H new ATOM 0 HA LEU A 336 11.361 2.139 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 336 10.890 4.439 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 336 12.596 4.812 1.914 1.00 0.00 H new ATOM 0 HG LEU A 336 11.449 4.318 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 336 13.623 3.605 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 336 13.775 4.928 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 336 14.187 3.263 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 336 11.802 2.016 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.207 1.513 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 336 10.575 2.117 0.101 1.00 0.00 H new ATOM 146 N GLU A 337 14.292 2.791 3.661 1.00 0.00 N ATOM 147 CA GLU A 337 15.607 2.206 3.890 1.00 0.00 C ATOM 148 C GLU A 337 15.495 0.743 4.415 1.00 0.00 C ATOM 149 O GLU A 337 16.315 -0.105 4.076 1.00 0.00 O ATOM 150 CB GLU A 337 16.301 3.027 4.970 1.00 0.00 C ATOM 151 CG GLU A 337 16.570 4.474 4.583 1.00 0.00 C ATOM 152 CD GLU A 337 17.337 5.227 5.644 1.00 0.00 C ATOM 153 OE1 GLU A 337 16.743 5.619 6.669 1.00 0.00 O ATOM 154 OE2 GLU A 337 18.558 5.436 5.473 1.00 0.00 O ATOM 0 H GLU A 337 14.102 3.631 4.208 1.00 0.00 H new ATOM 0 HA GLU A 337 16.157 2.205 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 337 15.688 3.012 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 337 17.248 2.549 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 337 17.131 4.498 3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 337 15.622 4.979 4.398 1.00 0.00 H new ATOM 161 N GLU A 338 14.492 0.484 5.245 1.00 0.00 N ATOM 162 CA GLU A 338 14.209 -0.850 5.779 1.00 0.00 C ATOM 163 C GLU A 338 13.797 -1.870 4.702 1.00 0.00 C ATOM 164 O GLU A 338 14.103 -3.077 4.802 1.00 0.00 O ATOM 165 CB GLU A 338 13.239 -0.794 6.970 1.00 0.00 C ATOM 166 CG GLU A 338 12.997 -2.137 7.643 1.00 0.00 C ATOM 167 CD GLU A 338 11.996 -2.080 8.768 1.00 0.00 C ATOM 168 OE1 GLU A 338 11.506 -0.991 9.102 1.00 0.00 O ATOM 169 OE2 GLU A 338 11.683 -3.137 9.341 1.00 0.00 O ATOM 0 H GLU A 338 13.843 1.200 5.572 1.00 0.00 H new ATOM 0 HA GLU A 338 15.154 -1.231 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 338 13.630 -0.095 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 338 12.284 -0.395 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 338 12.650 -2.850 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 338 13.943 -2.515 8.030 1.00 0.00 H new ATOM 176 N TYR A 339 13.119 -1.397 3.685 1.00 0.00 N ATOM 177 CA TYR A 339 12.615 -2.261 2.645 1.00 0.00 C ATOM 178 C TYR A 339 13.393 -2.080 1.352 1.00 0.00 C ATOM 179 O TYR A 339 13.376 -1.033 0.733 1.00 0.00 O ATOM 180 CB TYR A 339 11.089 -1.965 2.510 1.00 0.00 C ATOM 181 CG TYR A 339 10.307 -2.628 1.375 1.00 0.00 C ATOM 182 CD1 TYR A 339 10.493 -3.955 1.031 1.00 0.00 C ATOM 183 CD2 TYR A 339 9.374 -1.887 0.636 1.00 0.00 C ATOM 184 CE1 TYR A 339 9.780 -4.527 -0.009 1.00 0.00 C ATOM 185 CE2 TYR A 339 8.657 -2.458 -0.403 1.00 0.00 C ATOM 186 CZ TYR A 339 8.872 -3.768 -0.716 1.00 0.00 C ATOM 187 OH TYR A 339 8.163 -4.327 -1.732 1.00 0.00 O ATOM 0 H TYR A 339 12.902 -0.409 3.555 1.00 0.00 H new ATOM 0 HA TYR A 339 12.750 -3.313 2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 339 10.613 -2.250 3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 339 10.970 -0.886 2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 339 11.204 -4.553 1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 339 9.211 -0.848 0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 339 9.935 -5.565 -0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 339 7.938 -1.874 -0.958 1.00 0.00 H new ATOM 0 HH TYR A 339 8.241 -3.767 -2.532 1.00 0.00 H new ATOM 197 N ASN A 340 14.067 -3.161 0.961 1.00 0.00 N ATOM 198 CA ASN A 340 14.894 -3.209 -0.248 1.00 0.00 C ATOM 199 C ASN A 340 14.108 -2.950 -1.486 1.00 0.00 C ATOM 200 O ASN A 340 14.589 -2.316 -2.423 1.00 0.00 O ATOM 201 CB ASN A 340 15.640 -4.547 -0.390 1.00 0.00 C ATOM 202 CG ASN A 340 16.647 -4.804 0.709 1.00 0.00 C ATOM 203 OD1 ASN A 340 17.194 -3.875 1.308 1.00 0.00 O ATOM 204 ND2 ASN A 340 16.904 -6.053 0.990 1.00 0.00 N ATOM 0 H ASN A 340 14.055 -4.039 1.480 1.00 0.00 H new ATOM 0 HA ASN A 340 15.626 -2.410 -0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 340 14.912 -5.359 -0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 340 16.153 -4.566 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 340 17.574 -6.283 1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 340 16.434 -6.798 0.476 1.00 0.00 H new ATOM 211 N GLY A 341 12.895 -3.431 -1.500 1.00 0.00 N ATOM 212 CA GLY A 341 12.105 -3.302 -2.673 1.00 0.00 C ATOM 213 C GLY A 341 11.377 -2.000 -2.746 1.00 0.00 C ATOM 214 O GLY A 341 11.399 -1.195 -1.817 1.00 0.00 O ATOM 0 H GLY A 341 12.445 -3.908 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 341 12.746 -3.403 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 341 11.383 -4.118 -2.710 1.00 0.00 H new ATOM 218 N GLU A 342 10.707 -1.809 -3.820 1.00 0.00 N ATOM 219 CA GLU A 342 9.891 -0.665 -4.020 1.00 0.00 C ATOM 220 C GLU A 342 8.486 -1.175 -4.139 1.00 0.00 C ATOM 221 O GLU A 342 8.186 -1.891 -5.073 1.00 0.00 O ATOM 222 CB GLU A 342 10.316 0.033 -5.312 1.00 0.00 C ATOM 223 CG GLU A 342 11.762 0.512 -5.293 1.00 0.00 C ATOM 224 CD GLU A 342 12.180 1.234 -6.548 1.00 0.00 C ATOM 225 OE1 GLU A 342 11.418 1.251 -7.526 1.00 0.00 O ATOM 226 OE2 GLU A 342 13.325 1.740 -6.602 1.00 0.00 O ATOM 0 H GLU A 342 10.709 -2.459 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 342 9.979 0.053 -3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 342 10.179 -0.652 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 342 9.661 0.886 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 342 11.904 1.175 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 342 12.417 -0.346 -5.143 1.00 0.00 H new ATOM 233 N ARG A 343 7.646 -0.919 -3.160 1.00 0.00 N ATOM 234 CA ARG A 343 6.285 -1.384 -3.307 1.00 0.00 C ATOM 235 C ARG A 343 5.345 -0.290 -3.799 1.00 0.00 C ATOM 236 O ARG A 343 4.225 -0.569 -4.146 1.00 0.00 O ATOM 237 CB ARG A 343 5.729 -2.155 -2.078 1.00 0.00 C ATOM 238 CG ARG A 343 5.584 -1.392 -0.756 1.00 0.00 C ATOM 239 CD ARG A 343 5.046 -2.311 0.377 1.00 0.00 C ATOM 240 NE ARG A 343 5.926 -3.441 0.751 1.00 0.00 N ATOM 241 CZ ARG A 343 5.849 -4.096 1.935 1.00 0.00 C ATOM 242 NH1 ARG A 343 5.084 -3.624 2.911 1.00 0.00 N ATOM 243 NH2 ARG A 343 6.523 -5.221 2.128 1.00 0.00 N ATOM 0 H ARG A 343 7.863 -0.419 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 343 6.331 -2.135 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 343 4.748 -2.548 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 343 6.378 -3.012 -1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 343 6.550 -0.981 -0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 343 4.907 -0.549 -0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 343 4.870 -1.701 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 343 4.080 -2.712 0.069 1.00 0.00 H new ATOM 0 HE ARG A 343 6.631 -3.744 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 343 4.551 -2.765 2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 343 5.029 -4.120 3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 343 7.106 -5.601 1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 343 6.459 -5.707 3.023 1.00 0.00 H new ATOM 257 N PHE A 344 5.912 0.927 -3.977 1.00 0.00 N ATOM 258 CA PHE A 344 5.190 2.149 -4.459 1.00 0.00 C ATOM 259 C PHE A 344 3.788 2.369 -3.772 1.00 0.00 C ATOM 260 O PHE A 344 3.464 1.736 -2.782 1.00 0.00 O ATOM 261 CB PHE A 344 4.926 1.992 -5.844 1.00 0.00 C ATOM 262 CG PHE A 344 6.104 1.891 -6.777 1.00 0.00 C ATOM 263 CD1 PHE A 344 6.661 3.026 -7.323 1.00 0.00 C ATOM 264 CD2 PHE A 344 6.622 0.656 -7.136 1.00 0.00 C ATOM 265 CE1 PHE A 344 7.715 2.945 -8.198 1.00 0.00 C ATOM 266 CE2 PHE A 344 7.676 0.565 -8.017 1.00 0.00 C ATOM 267 CZ PHE A 344 8.226 1.710 -8.549 1.00 0.00 C ATOM 0 H PHE A 344 6.900 1.100 -3.789 1.00 0.00 H new ATOM 0 HA PHE A 344 5.831 2.998 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 344 4.321 1.094 -5.970 1.00 0.00 H new ATOM 0 HB3 PHE A 344 4.315 2.835 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 344 6.262 3.994 -7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 344 6.194 -0.244 -6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 344 8.145 3.845 -8.612 1.00 0.00 H new ATOM 0 HE2 PHE A 344 8.071 -0.402 -8.290 1.00 0.00 H new ATOM 0 HZ PHE A 344 9.054 1.643 -9.239 1.00 0.00 H new ATOM 277 N CYS A 345 2.967 3.300 -4.261 1.00 0.00 N ATOM 278 CA CYS A 345 1.748 3.507 -3.552 1.00 0.00 C ATOM 279 C CYS A 345 0.562 3.104 -4.344 1.00 0.00 C ATOM 280 O CYS A 345 0.576 3.115 -5.563 1.00 0.00 O ATOM 281 CB CYS A 345 1.508 4.953 -3.245 1.00 0.00 C ATOM 282 SG CYS A 345 0.831 5.890 -4.648 1.00 0.00 S ATOM 0 H CYS A 345 3.124 3.876 -5.088 1.00 0.00 H new ATOM 0 HA CYS A 345 1.863 2.908 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 345 0.820 5.028 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 345 2.447 5.410 -2.932 1.00 0.00 H new ATOM 287 N TYR A 346 -0.470 2.784 -3.643 1.00 0.00 N ATOM 288 CA TYR A 346 -1.766 2.574 -4.229 1.00 0.00 C ATOM 289 C TYR A 346 -2.370 3.849 -4.870 1.00 0.00 C ATOM 290 O TYR A 346 -2.731 3.854 -6.026 1.00 0.00 O ATOM 291 CB TYR A 346 -2.683 2.050 -3.059 1.00 0.00 C ATOM 292 CG TYR A 346 -4.124 1.759 -3.299 1.00 0.00 C ATOM 293 CD1 TYR A 346 -4.887 2.472 -4.192 1.00 0.00 C ATOM 294 CD2 TYR A 346 -4.699 0.729 -2.630 1.00 0.00 C ATOM 295 CE1 TYR A 346 -6.151 2.156 -4.439 1.00 0.00 C ATOM 296 CE2 TYR A 346 -5.951 0.389 -2.831 1.00 0.00 C ATOM 297 CZ TYR A 346 -6.713 1.099 -3.765 1.00 0.00 C ATOM 298 OH TYR A 346 -7.998 0.731 -4.030 1.00 0.00 O ATOM 0 H TYR A 346 -0.446 2.657 -2.631 1.00 0.00 H new ATOM 0 HA TYR A 346 -1.688 1.863 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 346 -2.229 1.134 -2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 346 -2.633 2.786 -2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 346 -4.445 3.313 -4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 346 -4.112 0.174 -1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 346 -6.728 2.719 -5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 346 -6.388 -0.431 -2.281 1.00 0.00 H new ATOM 0 HH TYR A 346 -8.205 -0.100 -3.553 1.00 0.00 H new ATOM 308 N GLY A 347 -2.352 4.926 -4.123 1.00 0.00 N ATOM 309 CA GLY A 347 -3.104 6.136 -4.515 1.00 0.00 C ATOM 310 C GLY A 347 -2.760 6.799 -5.843 1.00 0.00 C ATOM 311 O GLY A 347 -3.626 7.340 -6.486 1.00 0.00 O ATOM 0 H GLY A 347 -1.837 5.009 -3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 347 -4.163 5.878 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 347 -2.973 6.879 -3.728 1.00 0.00 H new ATOM 315 N CYS A 348 -1.506 6.760 -6.231 1.00 0.00 N ATOM 316 CA CYS A 348 -1.082 7.432 -7.472 1.00 0.00 C ATOM 317 C CYS A 348 -0.185 6.520 -8.285 1.00 0.00 C ATOM 318 O CYS A 348 0.238 6.852 -9.377 1.00 0.00 O ATOM 319 CB CYS A 348 -0.388 8.832 -7.197 1.00 0.00 C ATOM 320 SG CYS A 348 1.276 8.887 -6.327 1.00 0.00 S ATOM 0 H CYS A 348 -0.760 6.282 -5.725 1.00 0.00 H new ATOM 0 HA CYS A 348 -1.980 7.644 -8.052 1.00 0.00 H new ATOM 0 HB2 CYS A 348 -0.270 9.332 -8.158 1.00 0.00 H new ATOM 0 HB3 CYS A 348 -1.083 9.431 -6.609 1.00 0.00 H new ATOM 325 N GLN A 349 0.116 5.344 -7.687 1.00 0.00 N ATOM 326 CA GLN A 349 1.109 4.385 -8.198 1.00 0.00 C ATOM 327 C GLN A 349 2.418 5.127 -8.308 1.00 0.00 C ATOM 328 O GLN A 349 3.232 4.951 -9.205 1.00 0.00 O ATOM 329 CB GLN A 349 0.599 3.761 -9.488 1.00 0.00 C ATOM 330 CG GLN A 349 -0.705 3.034 -9.207 1.00 0.00 C ATOM 331 CD GLN A 349 -1.349 2.392 -10.389 1.00 0.00 C ATOM 332 OE1 GLN A 349 -1.169 2.797 -11.525 1.00 0.00 O ATOM 333 NE2 GLN A 349 -2.174 1.434 -10.116 1.00 0.00 N ATOM 0 H GLN A 349 -0.333 5.035 -6.825 1.00 0.00 H new ATOM 0 HA GLN A 349 1.274 3.537 -7.534 1.00 0.00 H new ATOM 0 HB2 GLN A 349 0.445 4.532 -10.243 1.00 0.00 H new ATOM 0 HB3 GLN A 349 1.338 3.067 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 349 -0.519 2.267 -8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 349 -1.409 3.743 -8.771 1.00 0.00 H new ATOM 0 HE21 GLN A 349 -2.295 1.125 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 349 -2.703 0.988 -10.865 1.00 0.00 H new ATOM 342 N GLY A 350 2.576 5.937 -7.294 1.00 0.00 N ATOM 343 CA GLY A 350 3.709 6.747 -7.062 1.00 0.00 C ATOM 344 C GLY A 350 4.671 6.020 -6.230 1.00 0.00 C ATOM 345 O GLY A 350 4.389 4.925 -5.818 1.00 0.00 O ATOM 0 H GLY A 350 1.863 6.044 -6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 350 4.170 7.025 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.412 7.672 -6.568 1.00 0.00 H new ATOM 349 N GLU A 351 5.693 6.655 -5.855 1.00 0.00 N ATOM 350 CA GLU A 351 6.773 6.002 -5.250 1.00 0.00 C ATOM 351 C GLU A 351 6.928 6.437 -3.787 1.00 0.00 C ATOM 352 O GLU A 351 6.773 7.596 -3.419 1.00 0.00 O ATOM 353 CB GLU A 351 8.008 6.162 -6.129 1.00 0.00 C ATOM 354 CG GLU A 351 9.226 5.359 -5.723 1.00 0.00 C ATOM 355 CD GLU A 351 10.393 5.641 -6.641 1.00 0.00 C ATOM 356 OE1 GLU A 351 10.291 6.539 -7.483 1.00 0.00 O ATOM 357 OE2 GLU A 351 11.385 4.931 -6.592 1.00 0.00 O ATOM 0 H GLU A 351 5.811 7.663 -5.959 1.00 0.00 H new ATOM 0 HA GLU A 351 6.598 4.928 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 351 7.740 5.887 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 351 8.283 7.217 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 351 9.500 5.602 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 351 8.989 4.295 -5.747 1.00 0.00 H new ATOM 364 N LEU A 352 7.189 5.455 -3.015 1.00 0.00 N ATOM 365 CA LEU A 352 7.231 5.415 -1.543 1.00 0.00 C ATOM 366 C LEU A 352 8.275 6.302 -0.920 1.00 0.00 C ATOM 367 O LEU A 352 8.122 6.831 0.183 1.00 0.00 O ATOM 368 CB LEU A 352 7.644 4.032 -1.166 1.00 0.00 C ATOM 369 CG LEU A 352 6.885 2.974 -1.713 1.00 0.00 C ATOM 370 CD1 LEU A 352 7.386 1.669 -1.165 1.00 0.00 C ATOM 371 CD2 LEU A 352 5.499 3.178 -1.341 1.00 0.00 C ATOM 0 H LEU A 352 7.408 4.540 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 352 6.249 5.739 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 352 8.684 3.894 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.609 3.950 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 352 6.977 2.952 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 352 6.802 0.850 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 352 8.435 1.541 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 352 7.285 1.667 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 352 4.890 2.373 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 352 5.411 3.182 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 352 5.153 4.133 -1.737 1.00 0.00 H new ATOM 383 N LYS A 353 9.313 6.454 -1.637 1.00 0.00 N ATOM 384 CA LYS A 353 10.602 6.701 -1.095 1.00 0.00 C ATOM 385 C LYS A 353 10.888 8.072 -0.542 1.00 0.00 C ATOM 386 O LYS A 353 12.031 8.356 -0.176 1.00 0.00 O ATOM 387 CB LYS A 353 11.636 6.189 -2.020 1.00 0.00 C ATOM 388 CG LYS A 353 11.835 6.917 -3.295 1.00 0.00 C ATOM 389 CD LYS A 353 12.785 6.099 -4.063 1.00 0.00 C ATOM 390 CE LYS A 353 13.450 6.852 -5.201 1.00 0.00 C ATOM 391 NZ LYS A 353 14.526 6.056 -5.815 1.00 0.00 N ATOM 0 H LYS A 353 9.299 6.410 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 353 10.629 6.134 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 353 12.587 6.177 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 353 11.391 5.154 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 353 10.894 7.035 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 353 12.230 7.918 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 353 13.554 5.721 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 353 12.262 5.233 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 353 12.706 7.105 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 353 13.858 7.792 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 14.960 6.598 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 15.247 5.836 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 14.131 5.171 -6.192 1.00 0.00 H new ATOM 405 N ASP A 354 9.887 8.922 -0.498 1.00 0.00 N ATOM 406 CA ASP A 354 10.031 10.208 0.176 1.00 0.00 C ATOM 407 C ASP A 354 10.508 9.970 1.619 1.00 0.00 C ATOM 408 O ASP A 354 11.364 10.701 2.131 1.00 0.00 O ATOM 409 CB ASP A 354 8.677 10.925 0.233 1.00 0.00 C ATOM 410 CG ASP A 354 8.769 12.325 0.796 1.00 0.00 C ATOM 411 OD1 ASP A 354 9.080 13.263 0.035 1.00 0.00 O ATOM 412 OD2 ASP A 354 8.519 12.518 1.994 1.00 0.00 O ATOM 0 H ASP A 354 8.971 8.756 -0.914 1.00 0.00 H new ATOM 0 HA ASP A 354 10.750 10.816 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 354 8.255 10.971 -0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 354 7.988 10.340 0.842 1.00 0.00 H new ATOM 417 N GLN A 355 9.977 8.901 2.239 1.00 0.00 N ATOM 418 CA GLN A 355 10.343 8.506 3.600 1.00 0.00 C ATOM 419 C GLN A 355 9.818 7.111 3.991 1.00 0.00 C ATOM 420 O GLN A 355 10.566 6.266 4.486 1.00 0.00 O ATOM 421 CB GLN A 355 10.001 9.603 4.626 1.00 0.00 C ATOM 422 CG GLN A 355 8.577 10.075 4.559 1.00 0.00 C ATOM 423 CD GLN A 355 8.255 11.160 5.542 1.00 0.00 C ATOM 424 OE1 GLN A 355 8.840 11.248 6.614 1.00 0.00 O ATOM 425 NE2 GLN A 355 7.379 12.035 5.159 1.00 0.00 N ATOM 0 H GLN A 355 9.283 8.291 1.806 1.00 0.00 H new ATOM 0 HA GLN A 355 11.428 8.404 3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 355 10.201 9.225 5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 355 10.664 10.454 4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 355 8.370 10.436 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 355 7.914 9.228 4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 355 6.912 11.928 4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 355 7.157 12.830 5.758 1.00 0.00 H new ATOM 434 N HIS A 356 8.556 6.857 3.734 1.00 0.00 N ATOM 435 CA HIS A 356 7.919 5.615 4.156 1.00 0.00 C ATOM 436 C HIS A 356 7.260 4.780 3.140 1.00 0.00 C ATOM 437 O HIS A 356 6.768 5.232 2.121 1.00 0.00 O ATOM 438 CB HIS A 356 7.017 5.704 5.380 1.00 0.00 C ATOM 439 CG HIS A 356 7.695 5.826 6.655 1.00 0.00 C ATOM 440 ND1 HIS A 356 8.204 4.849 7.384 1.00 0.00 N flip ATOM 441 CD2 HIS A 356 7.903 6.988 7.346 1.00 0.00 C flip ATOM 442 CE1 HIS A 356 8.718 5.413 8.511 1.00 0.00 C flip ATOM 443 NE2 HIS A 356 8.523 6.711 8.463 1.00 0.00 N flip ATOM 0 H HIS A 356 7.939 7.495 3.231 1.00 0.00 H new ATOM 0 HA HIS A 356 8.838 5.094 4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 356 6.355 6.561 5.258 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.386 4.815 5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 356 7.604 7.974 7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 356 9.206 4.880 9.314 1.00 0.00 H new ATOM 0 HE2 HIS A 356 8.806 7.386 9.174 1.00 0.00 H new ATOM 452 N VAL A 357 7.247 3.530 3.496 1.00 0.00 N ATOM 453 CA VAL A 357 6.584 2.488 2.821 1.00 0.00 C ATOM 454 C VAL A 357 5.393 2.129 3.647 1.00 0.00 C ATOM 455 O VAL A 357 5.505 1.913 4.858 1.00 0.00 O ATOM 456 CB VAL A 357 7.496 1.265 2.837 1.00 0.00 C ATOM 457 CG1 VAL A 357 6.848 0.115 2.166 1.00 0.00 C ATOM 458 CG2 VAL A 357 8.845 1.569 2.225 1.00 0.00 C ATOM 0 H VAL A 357 7.739 3.203 4.327 1.00 0.00 H new ATOM 0 HA VAL A 357 6.320 2.782 1.805 1.00 0.00 H new ATOM 0 HB VAL A 357 7.668 0.994 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 357 7.518 -0.745 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 357 5.921 -0.132 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 357 6.628 0.375 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 357 9.467 0.675 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 357 8.712 1.885 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 357 9.329 2.366 2.789 1.00 0.00 H new ATOM 468 N TYR A 358 4.286 2.063 3.012 1.00 0.00 N ATOM 469 CA TYR A 358 3.058 1.726 3.640 1.00 0.00 C ATOM 470 C TYR A 358 2.485 0.551 2.944 1.00 0.00 C ATOM 471 O TYR A 358 2.766 0.330 1.763 1.00 0.00 O ATOM 472 CB TYR A 358 2.119 2.885 3.543 1.00 0.00 C ATOM 473 CG TYR A 358 2.646 4.127 4.167 1.00 0.00 C ATOM 474 CD1 TYR A 358 2.465 4.405 5.507 1.00 0.00 C ATOM 475 CD2 TYR A 358 3.385 4.998 3.407 1.00 0.00 C ATOM 476 CE1 TYR A 358 3.009 5.538 6.060 1.00 0.00 C ATOM 477 CE2 TYR A 358 3.926 6.109 3.922 1.00 0.00 C ATOM 478 CZ TYR A 358 3.742 6.389 5.265 1.00 0.00 C ATOM 479 OH TYR A 358 4.278 7.521 5.805 1.00 0.00 O ATOM 0 H TYR A 358 4.201 2.246 2.012 1.00 0.00 H new ATOM 0 HA TYR A 358 3.220 1.490 4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 358 1.901 3.079 2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 358 1.176 2.620 4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 358 1.893 3.728 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 358 3.535 4.780 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 358 2.863 5.759 7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 358 4.499 6.778 3.297 1.00 0.00 H new ATOM 0 HH TYR A 358 4.479 7.368 6.752 1.00 0.00 H new ATOM 489 N VAL A 359 1.771 -0.220 3.643 1.00 0.00 N ATOM 490 CA VAL A 359 1.062 -1.326 3.050 1.00 0.00 C ATOM 491 C VAL A 359 -0.412 -1.324 3.471 1.00 0.00 C ATOM 492 O VAL A 359 -0.692 -1.035 4.631 1.00 0.00 O ATOM 493 CB VAL A 359 1.825 -2.658 3.448 1.00 0.00 C ATOM 494 CG1 VAL A 359 1.969 -2.763 4.914 1.00 0.00 C ATOM 495 CG2 VAL A 359 1.069 -3.870 3.041 1.00 0.00 C ATOM 0 H VAL A 359 1.643 -0.125 4.650 1.00 0.00 H new ATOM 0 HA VAL A 359 1.049 -1.243 1.963 1.00 0.00 H new ATOM 0 HB VAL A 359 2.789 -2.607 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.495 -3.685 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.536 -1.910 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 359 0.982 -2.773 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 359 1.626 -4.761 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 359 0.096 -3.874 3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 359 0.930 -3.866 1.960 1.00 0.00 H new ATOM 505 N CYS A 360 -1.407 -1.590 2.532 1.00 0.00 N ATOM 506 CA CYS A 360 -2.765 -1.778 3.086 1.00 0.00 C ATOM 507 C CYS A 360 -3.079 -3.242 3.037 1.00 0.00 C ATOM 508 O CYS A 360 -3.322 -3.693 1.983 1.00 0.00 O ATOM 509 CB CYS A 360 -3.886 -1.124 2.316 1.00 0.00 C ATOM 510 SG CYS A 360 -5.304 -0.942 3.357 1.00 0.00 S ATOM 0 H CYS A 360 -1.297 -1.667 1.521 1.00 0.00 H new ATOM 0 HA CYS A 360 -2.728 -1.328 4.078 1.00 0.00 H new ATOM 0 HB2 CYS A 360 -3.566 -0.149 1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 360 -4.139 -1.726 1.443 1.00 0.00 H new ATOM 515 N ALA A 361 -3.356 -3.895 4.145 1.00 0.00 N ATOM 516 CA ALA A 361 -3.338 -5.390 4.192 1.00 0.00 C ATOM 517 C ALA A 361 -4.296 -6.123 3.215 1.00 0.00 C ATOM 518 O ALA A 361 -4.045 -7.268 2.889 1.00 0.00 O ATOM 519 CB ALA A 361 -3.622 -5.852 5.605 1.00 0.00 C ATOM 0 H ALA A 361 -3.597 -3.446 5.029 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.337 -5.662 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -3.609 -6.941 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -2.860 -5.458 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -4.602 -5.490 5.916 1.00 0.00 H new ATOM 525 N VAL A 362 -5.347 -5.478 2.707 1.00 0.00 N ATOM 526 CA VAL A 362 -6.191 -6.151 1.683 1.00 0.00 C ATOM 527 C VAL A 362 -6.356 -5.256 0.429 1.00 0.00 C ATOM 528 O VAL A 362 -6.767 -5.701 -0.613 1.00 0.00 O ATOM 529 CB VAL A 362 -7.599 -6.647 2.234 1.00 0.00 C ATOM 530 CG1 VAL A 362 -8.461 -7.306 1.176 1.00 0.00 C ATOM 531 CG2 VAL A 362 -7.436 -7.585 3.401 1.00 0.00 C ATOM 0 H VAL A 362 -5.637 -4.534 2.963 1.00 0.00 H new ATOM 0 HA VAL A 362 -5.656 -7.057 1.399 1.00 0.00 H new ATOM 0 HB VAL A 362 -8.113 -5.743 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -9.406 -7.620 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -8.656 -6.597 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -7.942 -8.176 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.418 -7.904 3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -6.861 -8.457 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -6.911 -7.074 4.208 1.00 0.00 H new ATOM 541 N CYS A 363 -5.926 -3.996 0.490 1.00 0.00 N ATOM 542 CA CYS A 363 -6.228 -3.148 -0.628 1.00 0.00 C ATOM 543 C CYS A 363 -4.942 -2.772 -1.312 1.00 0.00 C ATOM 544 O CYS A 363 -4.277 -1.809 -0.945 1.00 0.00 O ATOM 545 CB CYS A 363 -7.205 -1.977 -0.241 1.00 0.00 C ATOM 546 SG CYS A 363 -6.556 -0.306 0.184 1.00 0.00 S ATOM 0 H CYS A 363 -5.401 -3.573 1.256 1.00 0.00 H new ATOM 0 HA CYS A 363 -6.813 -3.679 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 363 -7.897 -1.849 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 363 -7.792 -2.319 0.612 1.00 0.00 H new ATOM 551 N GLN A 364 -4.521 -3.738 -2.162 1.00 0.00 N ATOM 552 CA GLN A 364 -3.232 -3.887 -2.992 1.00 0.00 C ATOM 553 C GLN A 364 -1.952 -3.750 -2.229 1.00 0.00 C ATOM 554 O GLN A 364 -0.842 -3.960 -2.715 1.00 0.00 O ATOM 555 CB GLN A 364 -3.179 -3.080 -4.200 1.00 0.00 C ATOM 556 CG GLN A 364 -3.174 -1.594 -4.009 1.00 0.00 C ATOM 557 CD GLN A 364 -3.234 -0.965 -5.408 1.00 0.00 C ATOM 558 OE1 GLN A 364 -3.039 0.283 -5.539 1.00 0.00 O flip ATOM 559 NE2 GLN A 364 -3.730 -1.609 -6.334 1.00 0.00 N flip ATOM 0 H GLN A 364 -5.126 -4.543 -2.325 1.00 0.00 H new ATOM 0 HA GLN A 364 -3.309 -4.930 -3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 364 -2.283 -3.356 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 364 -4.034 -3.341 -4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 364 -4.026 -1.279 -3.407 1.00 0.00 H new ATOM 0 HG3 GLN A 364 -2.275 -1.276 -3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 364 -3.888 -2.611 -6.231 1.00 0.00 H new ATOM 0 HE22 GLN A 364 -3.983 -1.140 -7.204 1.00 0.00 H new ATOM 568 N ASN A 365 -2.186 -3.429 -1.096 1.00 0.00 N ATOM 569 CA ASN A 365 -1.409 -3.394 0.012 1.00 0.00 C ATOM 570 C ASN A 365 -0.181 -2.453 -0.133 1.00 0.00 C ATOM 571 O ASN A 365 0.764 -2.675 0.481 1.00 0.00 O ATOM 572 CB ASN A 365 -0.937 -4.837 0.340 1.00 0.00 C ATOM 573 CG ASN A 365 -1.983 -5.973 0.155 1.00 0.00 C ATOM 574 OD1 ASN A 365 -1.639 -7.073 -0.216 1.00 0.00 O ATOM 575 ND2 ASN A 365 -3.232 -5.739 0.425 1.00 0.00 N ATOM 0 H ASN A 365 -3.128 -3.115 -0.862 1.00 0.00 H new ATOM 0 HA ASN A 365 -2.012 -2.989 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 365 -0.074 -5.063 -0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 365 -0.594 -4.856 1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 365 -3.923 -6.482 0.325 1.00 0.00 H new ATOM 0 HD22 ASN A 365 -3.521 -4.812 0.738 1.00 0.00 H new ATOM 582 N VAL A 366 -0.249 -1.325 -0.844 1.00 0.00 N ATOM 583 CA VAL A 366 0.919 -0.377 -0.807 1.00 0.00 C ATOM 584 C VAL A 366 0.527 1.114 -0.684 1.00 0.00 C ATOM 585 O VAL A 366 -0.422 1.543 -1.287 1.00 0.00 O ATOM 586 CB VAL A 366 1.874 -0.599 -2.010 1.00 0.00 C ATOM 587 CG1 VAL A 366 2.536 -1.934 -1.905 1.00 0.00 C ATOM 588 CG2 VAL A 366 1.129 -0.467 -3.334 1.00 0.00 C ATOM 0 H VAL A 366 -1.037 -1.037 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 366 1.449 -0.621 0.114 1.00 0.00 H new ATOM 0 HB VAL A 366 2.643 0.173 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 366 3.203 -2.077 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 366 3.111 -1.983 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 366 1.778 -2.717 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 366 1.823 -0.627 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 366 0.333 -1.210 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 366 0.698 0.531 -3.411 1.00 0.00 H new ATOM 598 N PHE A 367 1.241 1.879 0.125 1.00 0.00 N ATOM 599 CA PHE A 367 1.087 3.347 0.249 1.00 0.00 C ATOM 600 C PHE A 367 2.311 4.239 0.150 1.00 0.00 C ATOM 601 O PHE A 367 3.388 3.846 0.497 1.00 0.00 O ATOM 602 CB PHE A 367 0.040 3.873 1.246 1.00 0.00 C ATOM 603 CG PHE A 367 -1.330 3.584 0.848 1.00 0.00 C ATOM 604 CD1 PHE A 367 -1.934 4.447 -0.007 1.00 0.00 C ATOM 605 CD2 PHE A 367 -2.015 2.480 1.284 1.00 0.00 C ATOM 606 CE1 PHE A 367 -3.185 4.247 -0.432 1.00 0.00 C ATOM 607 CE2 PHE A 367 -3.297 2.267 0.848 1.00 0.00 C ATOM 608 CZ PHE A 367 -3.881 3.147 -0.008 1.00 0.00 C ATOM 0 H PHE A 367 1.966 1.502 0.735 1.00 0.00 H new ATOM 0 HA PHE A 367 0.634 3.468 -0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 367 0.227 3.432 2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 367 0.160 4.951 1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 367 -1.392 5.315 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 367 -1.549 1.784 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 367 -3.646 4.952 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 367 -3.844 1.399 1.185 1.00 0.00 H new ATOM 0 HZ PHE A 367 -4.891 2.979 -0.352 1.00 0.00 H new ATOM 618 N CYS A 368 2.038 5.510 -0.203 1.00 0.00 N ATOM 619 CA CYS A 368 3.023 6.622 -0.239 1.00 0.00 C ATOM 620 C CYS A 368 2.712 7.415 0.907 1.00 0.00 C ATOM 621 O CYS A 368 1.599 7.282 1.456 1.00 0.00 O ATOM 622 CB CYS A 368 2.826 7.699 -1.325 1.00 0.00 C ATOM 623 SG CYS A 368 3.059 7.396 -2.980 1.00 0.00 S ATOM 0 H CYS A 368 1.102 5.806 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 368 3.992 6.136 -0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 368 1.804 8.063 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 368 3.488 8.525 -1.065 1.00 0.00 H new ATOM 628 N VAL A 369 3.593 8.289 1.242 1.00 0.00 N ATOM 629 CA VAL A 369 3.295 9.200 2.264 1.00 0.00 C ATOM 630 C VAL A 369 2.164 10.140 1.755 1.00 0.00 C ATOM 631 O VAL A 369 1.330 10.581 2.536 1.00 0.00 O ATOM 632 CB VAL A 369 4.549 9.994 2.743 1.00 0.00 C ATOM 633 CG1 VAL A 369 5.665 9.039 3.119 1.00 0.00 C ATOM 634 CG2 VAL A 369 5.043 10.992 1.704 1.00 0.00 C ATOM 0 H VAL A 369 4.517 8.385 0.821 1.00 0.00 H new ATOM 0 HA VAL A 369 2.954 8.656 3.145 1.00 0.00 H new ATOM 0 HB VAL A 369 4.246 10.566 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 369 6.534 9.607 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 369 5.329 8.386 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 369 5.936 8.436 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 369 5.917 11.516 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 369 5.312 10.463 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 369 4.254 11.712 1.487 1.00 0.00 H new ATOM 644 N ASP A 370 2.138 10.401 0.390 1.00 0.00 N ATOM 645 CA ASP A 370 1.043 11.213 -0.239 1.00 0.00 C ATOM 646 C ASP A 370 -0.223 10.455 0.064 1.00 0.00 C ATOM 647 O ASP A 370 -1.253 10.959 0.357 1.00 0.00 O ATOM 648 CB ASP A 370 0.828 10.899 -1.746 1.00 0.00 C ATOM 649 CG ASP A 370 1.876 10.888 -2.747 1.00 0.00 C ATOM 650 OD1 ASP A 370 2.719 11.774 -2.824 1.00 0.00 O ATOM 651 OD2 ASP A 370 1.841 9.809 -3.512 1.00 0.00 O ATOM 0 H ASP A 370 2.844 10.067 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 370 1.249 12.244 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 370 0.366 9.912 -1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 370 0.084 11.613 -2.098 1.00 0.00 H new ATOM 656 N CYS A 371 -0.075 9.161 -0.137 1.00 0.00 N ATOM 657 CA CYS A 371 -1.200 8.354 -0.313 1.00 0.00 C ATOM 658 C CYS A 371 -2.212 8.080 0.781 1.00 0.00 C ATOM 659 O CYS A 371 -3.364 7.882 0.492 1.00 0.00 O ATOM 660 CB CYS A 371 -1.066 7.430 -1.491 1.00 0.00 C ATOM 661 SG CYS A 371 -0.863 8.422 -3.019 1.00 0.00 S ATOM 0 H CYS A 371 0.821 8.675 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 371 -1.972 9.092 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 371 -0.209 6.771 -1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 371 -1.948 6.794 -1.571 1.00 0.00 H new ATOM 666 N ASP A 372 -1.777 7.970 1.991 1.00 0.00 N ATOM 667 CA ASP A 372 -2.700 8.008 3.140 1.00 0.00 C ATOM 668 C ASP A 372 -3.399 9.384 3.268 1.00 0.00 C ATOM 669 O ASP A 372 -4.516 9.458 3.662 1.00 0.00 O ATOM 670 CB ASP A 372 -1.987 7.572 4.425 1.00 0.00 C ATOM 671 CG ASP A 372 -2.912 7.433 5.611 1.00 0.00 C ATOM 672 OD1 ASP A 372 -3.567 6.377 5.744 1.00 0.00 O ATOM 673 OD2 ASP A 372 -2.956 8.348 6.461 1.00 0.00 O ATOM 0 H ASP A 372 -0.795 7.852 2.239 1.00 0.00 H new ATOM 0 HA ASP A 372 -3.498 7.287 2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -1.489 6.618 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 372 -1.210 8.298 4.664 1.00 0.00 H new ATOM 678 N VAL A 373 -2.663 10.477 3.009 1.00 0.00 N ATOM 679 CA VAL A 373 -3.247 11.848 2.935 1.00 0.00 C ATOM 680 C VAL A 373 -4.218 12.046 1.730 1.00 0.00 C ATOM 681 O VAL A 373 -5.007 13.000 1.681 1.00 0.00 O ATOM 682 CB VAL A 373 -2.249 13.050 3.178 1.00 0.00 C ATOM 683 CG1 VAL A 373 -1.341 13.358 2.015 1.00 0.00 C ATOM 684 CG2 VAL A 373 -2.978 14.296 3.666 1.00 0.00 C ATOM 0 H VAL A 373 -1.657 10.449 2.845 1.00 0.00 H new ATOM 0 HA VAL A 373 -3.873 11.898 3.826 1.00 0.00 H new ATOM 0 HB VAL A 373 -1.584 12.707 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 373 -0.692 14.195 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 373 -0.732 12.483 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 373 -1.942 13.618 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 373 -2.259 15.100 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 373 -3.711 14.604 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 373 -3.486 14.076 4.605 1.00 0.00 H new ATOM 694 N PHE A 374 -4.065 11.154 0.718 1.00 0.00 N ATOM 695 CA PHE A 374 -4.827 11.124 -0.594 1.00 0.00 C ATOM 696 C PHE A 374 -6.284 11.111 -0.220 1.00 0.00 C ATOM 697 O PHE A 374 -7.155 11.674 -0.878 1.00 0.00 O ATOM 698 CB PHE A 374 -4.615 9.761 -1.378 1.00 0.00 C ATOM 699 CG PHE A 374 -5.095 9.726 -2.804 1.00 0.00 C ATOM 700 CD1 PHE A 374 -4.275 10.224 -3.802 1.00 0.00 C ATOM 701 CD2 PHE A 374 -6.319 9.209 -3.161 1.00 0.00 C ATOM 702 CE1 PHE A 374 -4.665 10.210 -5.120 1.00 0.00 C ATOM 703 CE2 PHE A 374 -6.716 9.190 -4.493 1.00 0.00 C ATOM 704 CZ PHE A 374 -5.886 9.692 -5.466 1.00 0.00 C ATOM 0 H PHE A 374 -3.383 10.398 0.779 1.00 0.00 H new ATOM 0 HA PHE A 374 -4.498 11.963 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 374 -3.551 9.525 -1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 374 -5.122 8.968 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 374 -3.310 10.632 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 374 -6.977 8.815 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 374 -4.010 10.607 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 374 -7.678 8.780 -4.763 1.00 0.00 H new ATOM 0 HZ PHE A 374 -6.195 9.679 -6.501 1.00 0.00 H new ATOM 714 N VAL A 375 -6.488 10.460 0.847 1.00 0.00 N ATOM 715 CA VAL A 375 -7.680 10.013 1.337 1.00 0.00 C ATOM 716 C VAL A 375 -7.765 10.577 2.766 1.00 0.00 C ATOM 717 O VAL A 375 -6.749 10.883 3.352 1.00 0.00 O ATOM 718 CB VAL A 375 -7.612 8.527 1.303 1.00 0.00 C ATOM 719 CG1 VAL A 375 -6.654 7.932 2.295 1.00 0.00 C ATOM 720 CG2 VAL A 375 -8.909 7.931 1.352 1.00 0.00 C ATOM 0 H VAL A 375 -5.713 10.206 1.460 1.00 0.00 H new ATOM 0 HA VAL A 375 -8.563 10.324 0.779 1.00 0.00 H new ATOM 0 HB VAL A 375 -7.185 8.276 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -6.665 6.846 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -5.648 8.303 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -6.953 8.215 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -8.812 6.846 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -9.411 8.228 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -9.495 8.264 0.496 1.00 0.00 H new ATOM 730 N HIS A 376 -8.980 10.839 3.223 1.00 0.00 N ATOM 731 CA HIS A 376 -9.308 11.756 4.358 1.00 0.00 C ATOM 732 C HIS A 376 -9.263 13.156 3.832 1.00 0.00 C ATOM 733 O HIS A 376 -9.331 14.162 4.543 1.00 0.00 O ATOM 734 CB HIS A 376 -8.424 11.622 5.586 1.00 0.00 C ATOM 735 CG HIS A 376 -8.446 10.295 6.284 1.00 0.00 C ATOM 736 ND1 HIS A 376 -9.457 9.904 7.134 1.00 0.00 N ATOM 737 CD2 HIS A 376 -7.542 9.295 6.300 1.00 0.00 C ATOM 738 CE1 HIS A 376 -9.139 8.715 7.636 1.00 0.00 C ATOM 739 NE2 HIS A 376 -7.980 8.295 7.166 1.00 0.00 N ATOM 0 H HIS A 376 -9.812 10.414 2.813 1.00 0.00 H new ATOM 0 HA HIS A 376 -10.298 11.477 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -7.396 11.836 5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -8.717 12.389 6.303 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -6.624 9.272 5.732 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -9.749 8.165 8.337 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -7.504 7.421 7.390 1.00 0.00 H new ATOM 747 N ASP A 377 -9.213 13.166 2.553 1.00 0.00 N ATOM 748 CA ASP A 377 -9.441 14.261 1.721 1.00 0.00 C ATOM 749 C ASP A 377 -10.890 13.990 1.307 1.00 0.00 C ATOM 750 O ASP A 377 -11.658 13.497 2.127 1.00 0.00 O ATOM 751 CB ASP A 377 -8.459 14.163 0.531 1.00 0.00 C ATOM 752 CG ASP A 377 -8.481 15.344 -0.420 1.00 0.00 C ATOM 753 OD1 ASP A 377 -7.779 16.343 -0.194 1.00 0.00 O ATOM 754 OD2 ASP A 377 -9.206 15.278 -1.433 1.00 0.00 O ATOM 0 H ASP A 377 -8.990 12.323 2.024 1.00 0.00 H new ATOM 0 HA ASP A 377 -9.298 15.253 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 377 -7.448 14.050 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 377 -8.685 13.258 -0.033 1.00 0.00 H new ATOM 759 N SER A 378 -11.270 14.267 0.127 1.00 0.00 N ATOM 760 CA SER A 378 -12.638 14.008 -0.293 1.00 0.00 C ATOM 761 C SER A 378 -13.055 12.482 -0.215 1.00 0.00 C ATOM 762 O SER A 378 -14.212 12.161 0.084 1.00 0.00 O ATOM 763 CB SER A 378 -12.860 14.569 -1.707 1.00 0.00 C ATOM 764 OG SER A 378 -14.230 14.507 -2.113 1.00 0.00 O ATOM 0 H SER A 378 -10.671 14.676 -0.590 1.00 0.00 H new ATOM 0 HA SER A 378 -13.288 14.521 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 378 -12.521 15.604 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 378 -12.249 14.010 -2.416 1.00 0.00 H new ATOM 0 HG SER A 378 -14.320 14.876 -3.016 1.00 0.00 H new ATOM 770 N LEU A 379 -12.101 11.566 -0.487 1.00 0.00 N ATOM 771 CA LEU A 379 -12.472 10.150 -0.800 1.00 0.00 C ATOM 772 C LEU A 379 -13.169 9.283 0.222 1.00 0.00 C ATOM 773 O LEU A 379 -14.255 8.761 -0.076 1.00 0.00 O ATOM 774 CB LEU A 379 -11.233 9.322 -1.094 1.00 0.00 C ATOM 775 CG LEU A 379 -10.478 9.482 -2.370 1.00 0.00 C ATOM 776 CD1 LEU A 379 -9.754 10.818 -2.462 1.00 0.00 C ATOM 777 CD2 LEU A 379 -9.518 8.301 -2.497 1.00 0.00 C ATOM 0 H LEU A 379 -11.100 11.761 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 379 -13.175 10.352 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 379 -10.528 9.506 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 379 -11.528 8.275 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 379 -11.179 9.486 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 379 -9.222 10.879 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 379 -10.479 11.630 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 379 -9.042 10.903 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 379 -8.951 8.391 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 379 -8.832 8.297 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 379 -10.085 7.370 -2.508 1.00 0.00 H new ATOM 789 N HIS A 380 -12.660 9.266 1.452 1.00 0.00 N ATOM 790 CA HIS A 380 -12.884 8.087 2.344 1.00 0.00 C ATOM 791 C HIS A 380 -11.693 7.988 3.343 1.00 0.00 C ATOM 792 O HIS A 380 -10.843 8.852 3.320 1.00 0.00 O ATOM 793 CB HIS A 380 -12.894 6.815 1.422 1.00 0.00 C ATOM 794 CG HIS A 380 -13.055 5.488 2.036 1.00 0.00 C ATOM 795 ND1 HIS A 380 -14.158 5.025 2.714 1.00 0.00 N ATOM 796 CD2 HIS A 380 -12.170 4.512 2.038 1.00 0.00 C ATOM 797 CE1 HIS A 380 -13.888 3.776 3.108 1.00 0.00 C ATOM 798 NE2 HIS A 380 -12.673 3.418 2.713 1.00 0.00 N ATOM 0 H HIS A 380 -12.106 10.018 1.861 1.00 0.00 H new ATOM 0 HA HIS A 380 -13.817 8.174 2.901 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.698 6.941 0.697 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.958 6.807 0.863 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -15.022 5.539 2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -11.194 4.561 1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -14.564 3.147 3.669 1.00 0.00 H new ATOM 806 N SER A 381 -11.701 7.008 4.268 1.00 0.00 N ATOM 807 CA SER A 381 -10.533 6.700 5.146 1.00 0.00 C ATOM 808 C SER A 381 -9.217 6.237 4.376 1.00 0.00 C ATOM 809 O SER A 381 -8.115 6.555 4.770 1.00 0.00 O ATOM 810 CB SER A 381 -10.941 5.648 6.172 1.00 0.00 C ATOM 811 OG SER A 381 -12.091 6.070 6.893 1.00 0.00 O ATOM 0 H SER A 381 -12.507 6.406 4.434 1.00 0.00 H new ATOM 0 HA SER A 381 -10.262 7.639 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 381 -11.147 4.703 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 381 -10.118 5.468 6.863 1.00 0.00 H new ATOM 0 HG SER A 381 -12.339 5.382 7.545 1.00 0.00 H new ATOM 817 N CYS A 382 -9.376 5.460 3.303 1.00 0.00 N ATOM 818 CA CYS A 382 -8.236 4.953 2.463 1.00 0.00 C ATOM 819 C CYS A 382 -8.728 4.729 1.021 1.00 0.00 C ATOM 820 O CYS A 382 -9.754 4.179 0.875 1.00 0.00 O ATOM 821 CB CYS A 382 -7.754 3.658 3.058 1.00 0.00 C ATOM 822 SG CYS A 382 -6.503 2.752 2.131 1.00 0.00 S ATOM 0 H CYS A 382 -10.291 5.152 2.973 1.00 0.00 H new ATOM 0 HA CYS A 382 -7.419 5.675 2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -7.355 3.868 4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -8.616 3.005 3.193 1.00 0.00 H new ATOM 827 N PRO A 383 -7.950 5.048 -0.079 1.00 0.00 N ATOM 828 CA PRO A 383 -8.485 4.983 -1.486 1.00 0.00 C ATOM 829 C PRO A 383 -9.054 3.650 -1.765 1.00 0.00 C ATOM 830 O PRO A 383 -10.079 3.492 -2.401 1.00 0.00 O ATOM 831 CB PRO A 383 -7.215 5.037 -2.341 1.00 0.00 C ATOM 832 CG PRO A 383 -6.098 5.342 -1.434 1.00 0.00 C ATOM 833 CD PRO A 383 -6.590 5.526 -0.050 1.00 0.00 C ATOM 0 HA PRO A 383 -9.233 5.756 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -7.051 4.086 -2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -7.303 5.800 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -5.368 4.533 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -5.587 6.245 -1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -5.987 4.963 0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -6.544 6.573 0.251 1.00 0.00 H new ATOM 841 N GLY A 384 -8.395 2.717 -1.204 1.00 0.00 N ATOM 842 CA GLY A 384 -8.798 1.335 -1.361 1.00 0.00 C ATOM 843 C GLY A 384 -9.626 0.732 -0.271 1.00 0.00 C ATOM 844 O GLY A 384 -9.814 -0.480 -0.248 1.00 0.00 O ATOM 0 H GLY A 384 -7.568 2.861 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 384 -9.356 1.251 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 384 -7.897 0.732 -1.473 1.00 0.00 H new ATOM 848 N CYS A 385 -10.043 1.492 0.665 1.00 0.00 N ATOM 849 CA CYS A 385 -10.789 0.922 1.744 1.00 0.00 C ATOM 850 C CYS A 385 -12.053 0.156 1.589 1.00 0.00 C ATOM 851 O CYS A 385 -12.225 -0.816 2.299 1.00 0.00 O ATOM 852 CB CYS A 385 -11.132 2.100 2.675 1.00 0.00 C ATOM 853 SG CYS A 385 -12.093 1.650 4.150 1.00 0.00 S ATOM 0 H CYS A 385 -9.890 2.499 0.718 1.00 0.00 H new ATOM 0 HA CYS A 385 -10.112 0.127 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -10.204 2.575 2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -11.691 2.843 2.107 1.00 0.00 H new ATOM 0 HG CYS A 385 -12.485 0.415 4.052 1.00 0.00 H new ATOM 858 N ILE A 386 -12.870 0.479 0.644 1.00 0.00 N ATOM 859 CA ILE A 386 -14.073 -0.303 0.436 1.00 0.00 C ATOM 860 C ILE A 386 -13.733 -1.793 0.071 1.00 0.00 C ATOM 861 O ILE A 386 -14.389 -2.719 0.518 1.00 0.00 O ATOM 862 CB ILE A 386 -14.984 0.363 -0.627 1.00 0.00 C ATOM 863 CG1 ILE A 386 -15.366 1.776 -0.150 1.00 0.00 C ATOM 864 CG2 ILE A 386 -16.236 -0.465 -0.856 1.00 0.00 C ATOM 865 CD1 ILE A 386 -16.166 2.582 -1.148 1.00 0.00 C ATOM 0 H ILE A 386 -12.743 1.264 0.005 1.00 0.00 H new ATOM 0 HA ILE A 386 -14.628 -0.328 1.374 1.00 0.00 H new ATOM 0 HB ILE A 386 -14.442 0.427 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -15.940 1.691 0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -14.454 2.323 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -16.861 0.020 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -15.956 -1.459 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -16.791 -0.552 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -16.390 3.562 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -15.588 2.703 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -17.097 2.062 -1.373 1.00 0.00 H new TER 877 ILE A 386 HETATM 878 ZN ZN A 1 1.150 8.033 -4.166 1.00 0.00 ZN HETATM 879 ZN ZN A 2 -6.859 0.441 2.374 1.00 0.00 ZN