USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 609 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 396 CYS SG : rot -147:sc= -0.452! USER MOD Set 1.2: A 398 HIS : no HE2:sc= -2.87 K(o=-9.1,f=-12) USER MOD Set 1.3: A 416 CYS SG : rot 118:sc= -1.72! USER MOD Set 1.4: A 421 CYS SG : rot 120:sc= -4.02! USER MOD Set 2.1: A 381 CYS SG : rot -115:sc= -4.09! USER MOD Set 2.2: A 384 CYS SG : rot -141:sc= -4.48! USER MOD Set 2.3: A 387 ASN : amide:sc= 0 K(o=-20,f=-25) USER MOD Set 2.4: A 401 CYS SG : rot -102:sc= -5.67! USER MOD Set 2.5: A 403 SER OG : rot -150:sc= 0 USER MOD Set 2.6: A 404 CYS SG : rot 102:sc= -5.87! USER MOD Single : A 356 SER OG : rot -160:sc= 0.932 USER MOD Single : A 358 GLN : amide:sc= -0.623 K(o=-0.62,f=-4.7!) USER MOD Single : A 360 HIS :FLIP no HD1:sc= -0.392 F(o=-0.89,f=-0.39) USER MOD Single : A 362 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 364 THR OG1 : rot 180:sc=0.000256 USER MOD Single : A 365 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.064) USER MOD Single : A 367 GLN : amide:sc= 0.42 X(o=0.42,f=0) USER MOD Single : A 368 TYR OH : rot 180:sc= 0 USER MOD Single : A 371 TYR OH : rot 180:sc= 0 USER MOD Single : A 372 CYS SG : rot -45:sc= 1.23 USER MOD Single : A 374 MET CE :methyl 161:sc= -0.187 (180deg=-0.833) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 377 THR OG1 : rot -75:sc= -0.0303 USER MOD Single : A 379 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 382 LYS NZ :NH3+ -149:sc= 1.68 (180deg=0.613) USER MOD Single : A 389 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.259) USER MOD Single : A 392 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.2) USER MOD Single : A 400 MET CE :methyl 163:sc= -2.59 (180deg=-2.81) USER MOD Single : A 402 THR OG1 : rot 121:sc= 0.659 USER MOD Single : A 406 THR OG1 : rot 81:sc= 1.14 USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 409 GLN : amide:sc= -1.94! C(o=-1.9!,f=-4!) USER MOD Single : A 411 SER OG : rot -38:sc= 0.236 USER MOD Single : A 414 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 419 CYS SG : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0261) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 355 24.818 11.792 -3.376 1.00 0.00 N ATOM 2 CA GLY A 355 24.421 11.256 -2.090 1.00 0.00 C ATOM 3 C GLY A 355 25.362 10.194 -1.631 1.00 0.00 C ATOM 4 O GLY A 355 25.767 9.335 -2.414 1.00 0.00 O ATOM 0 HA2 GLY A 355 24.388 12.059 -1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 355 23.413 10.846 -2.160 1.00 0.00 H new ATOM 10 N SER A 356 25.708 10.242 -0.390 1.00 0.00 N ATOM 11 CA SER A 356 26.590 9.289 0.203 1.00 0.00 C ATOM 12 C SER A 356 25.823 8.528 1.278 1.00 0.00 C ATOM 13 O SER A 356 24.618 8.687 1.392 1.00 0.00 O ATOM 14 CB SER A 356 27.773 10.047 0.802 1.00 0.00 C ATOM 15 OG SER A 356 27.319 11.088 1.662 1.00 0.00 O ATOM 0 H SER A 356 25.380 10.959 0.257 1.00 0.00 H new ATOM 0 HA SER A 356 26.963 8.574 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 356 28.408 9.359 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 356 28.384 10.468 0.003 1.00 0.00 H new ATOM 0 HG SER A 356 28.034 11.748 1.783 1.00 0.00 H new ATOM 21 N LEU A 357 26.501 7.693 2.044 1.00 0.00 N ATOM 22 CA LEU A 357 25.870 7.032 3.180 1.00 0.00 C ATOM 23 C LEU A 357 25.936 7.989 4.377 1.00 0.00 C ATOM 24 O LEU A 357 25.289 7.797 5.410 1.00 0.00 O ATOM 25 CB LEU A 357 26.586 5.710 3.501 1.00 0.00 C ATOM 26 CG LEU A 357 25.985 4.861 4.633 1.00 0.00 C ATOM 27 CD1 LEU A 357 24.579 4.391 4.283 1.00 0.00 C ATOM 28 CD2 LEU A 357 26.887 3.680 4.953 1.00 0.00 C ATOM 0 H LEU A 357 27.483 7.455 1.905 1.00 0.00 H new ATOM 0 HA LEU A 357 24.832 6.792 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 357 26.607 5.105 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 357 27.621 5.936 3.757 1.00 0.00 H new ATOM 0 HG LEU A 357 25.913 5.488 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 357 24.181 3.793 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 357 23.936 5.256 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 357 24.612 3.787 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 357 26.444 3.091 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 357 26.999 3.057 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 357 27.865 4.044 5.266 1.00 0.00 H new ATOM 40 N GLN A 358 26.725 9.030 4.200 1.00 0.00 N ATOM 41 CA GLN A 358 26.896 10.055 5.188 1.00 0.00 C ATOM 42 C GLN A 358 25.762 11.055 5.049 1.00 0.00 C ATOM 43 O GLN A 358 25.044 11.341 6.018 1.00 0.00 O ATOM 44 CB GLN A 358 28.246 10.758 4.979 1.00 0.00 C ATOM 45 CG GLN A 358 29.460 9.835 5.043 1.00 0.00 C ATOM 46 CD GLN A 358 29.749 9.284 6.433 1.00 0.00 C ATOM 47 OE1 GLN A 358 28.859 9.105 7.263 1.00 0.00 O ATOM 48 NE2 GLN A 358 30.990 9.009 6.691 1.00 0.00 N ATOM 0 H GLN A 358 27.269 9.182 3.351 1.00 0.00 H new ATOM 0 HA GLN A 358 26.882 9.618 6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 358 28.235 11.256 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 358 28.357 11.535 5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 358 29.306 9.001 4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 358 30.336 10.379 4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 358 31.706 9.168 5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 358 31.250 8.633 7.603 1.00 0.00 H new ATOM 57 N ASP A 359 25.584 11.564 3.840 1.00 0.00 N ATOM 58 CA ASP A 359 24.540 12.530 3.572 1.00 0.00 C ATOM 59 C ASP A 359 23.669 12.073 2.431 1.00 0.00 C ATOM 60 O ASP A 359 24.109 12.026 1.271 1.00 0.00 O ATOM 61 CB ASP A 359 25.107 13.910 3.244 1.00 0.00 C ATOM 62 CG ASP A 359 24.012 14.960 3.131 1.00 0.00 C ATOM 63 OD1 ASP A 359 23.606 15.505 4.179 1.00 0.00 O ATOM 64 OD2 ASP A 359 23.540 15.271 2.007 1.00 0.00 O ATOM 0 H ASP A 359 26.153 11.321 3.029 1.00 0.00 H new ATOM 0 HA ASP A 359 23.945 12.608 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 359 25.815 14.205 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 359 25.662 13.861 2.307 1.00 0.00 H new ATOM 69 N HIS A 360 22.466 11.712 2.757 1.00 0.00 N ATOM 70 CA HIS A 360 21.467 11.326 1.791 1.00 0.00 C ATOM 71 C HIS A 360 20.125 11.571 2.404 1.00 0.00 C ATOM 72 O HIS A 360 19.984 11.493 3.633 1.00 0.00 O ATOM 73 CB HIS A 360 21.613 9.847 1.329 1.00 0.00 C ATOM 74 CG HIS A 360 21.453 8.790 2.400 1.00 0.00 C ATOM 75 ND1 HIS A 360 22.233 8.495 3.464 1.00 0.00 N flip ATOM 76 CD2 HIS A 360 20.440 7.858 2.412 1.00 0.00 C flip ATOM 77 CE1 HIS A 360 21.709 7.390 4.124 1.00 0.00 C flip ATOM 78 NE2 HIS A 360 20.632 7.047 3.448 1.00 0.00 N flip ATOM 0 H HIS A 360 22.138 11.675 3.722 1.00 0.00 H new ATOM 0 HA HIS A 360 21.595 11.924 0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 360 20.875 9.658 0.549 1.00 0.00 H new ATOM 0 HB3 HIS A 360 22.596 9.726 0.874 1.00 0.00 H new ATOM 0 HD2 HIS A 360 19.629 7.796 1.702 1.00 0.00 H new ATOM 0 HE1 HIS A 360 22.103 6.912 5.008 1.00 0.00 H new ATOM 0 HE2 HIS A 360 20.025 6.263 3.688 1.00 0.00 H new ATOM 86 N ILE A 361 19.162 11.916 1.612 1.00 0.00 N ATOM 87 CA ILE A 361 17.856 12.166 2.136 1.00 0.00 C ATOM 88 C ILE A 361 17.103 10.858 2.242 1.00 0.00 C ATOM 89 O ILE A 361 16.519 10.352 1.269 1.00 0.00 O ATOM 90 CB ILE A 361 17.065 13.204 1.305 1.00 0.00 C ATOM 91 CG1 ILE A 361 17.833 14.531 1.207 1.00 0.00 C ATOM 92 CG2 ILE A 361 15.683 13.438 1.896 1.00 0.00 C ATOM 93 CD1 ILE A 361 18.087 15.205 2.545 1.00 0.00 C ATOM 0 H ILE A 361 19.253 12.031 0.603 1.00 0.00 H new ATOM 0 HA ILE A 361 17.969 12.604 3.128 1.00 0.00 H new ATOM 0 HB ILE A 361 16.945 12.800 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 361 18.790 14.349 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 361 17.274 15.215 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 361 15.149 14.172 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 361 15.127 12.500 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 361 15.782 13.810 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 361 18.634 16.134 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 361 17.135 15.422 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 361 18.675 14.542 3.180 1.00 0.00 H new ATOM 105 N LYS A 362 17.208 10.281 3.389 1.00 0.00 N ATOM 106 CA LYS A 362 16.539 9.045 3.703 1.00 0.00 C ATOM 107 C LYS A 362 15.163 9.327 4.256 1.00 0.00 C ATOM 108 O LYS A 362 14.239 8.543 4.086 1.00 0.00 O ATOM 109 CB LYS A 362 17.393 8.170 4.634 1.00 0.00 C ATOM 110 CG LYS A 362 17.933 8.881 5.862 1.00 0.00 C ATOM 111 CD LYS A 362 18.871 7.986 6.647 1.00 0.00 C ATOM 112 CE LYS A 362 19.498 8.737 7.804 1.00 0.00 C ATOM 113 NZ LYS A 362 20.438 7.899 8.574 1.00 0.00 N ATOM 0 H LYS A 362 17.769 10.653 4.155 1.00 0.00 H new ATOM 0 HA LYS A 362 16.407 8.468 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 362 16.795 7.319 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 362 18.232 7.771 4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 362 18.459 9.786 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 362 17.105 9.192 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 362 18.324 7.122 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 362 19.653 7.607 5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 362 20.024 9.613 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 362 18.712 9.100 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 362 20.841 8.456 9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 362 19.933 7.076 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 362 21.204 7.573 7.950 1.00 0.00 H new ATOM 127 N VAL A 363 15.026 10.443 4.917 1.00 0.00 N ATOM 128 CA VAL A 363 13.735 10.898 5.342 1.00 0.00 C ATOM 129 C VAL A 363 13.360 12.001 4.395 1.00 0.00 C ATOM 130 O VAL A 363 13.737 13.156 4.595 1.00 0.00 O ATOM 131 CB VAL A 363 13.713 11.433 6.797 1.00 0.00 C ATOM 132 CG1 VAL A 363 12.286 11.773 7.234 1.00 0.00 C ATOM 133 CG2 VAL A 363 14.349 10.448 7.759 1.00 0.00 C ATOM 0 H VAL A 363 15.799 11.057 5.174 1.00 0.00 H new ATOM 0 HA VAL A 363 13.036 10.062 5.330 1.00 0.00 H new ATOM 0 HB VAL A 363 14.304 12.349 6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 363 12.298 12.146 8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 363 11.876 12.538 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 363 11.666 10.878 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 363 14.317 10.854 8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 363 13.802 9.506 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 363 15.386 10.275 7.470 1.00 0.00 H new ATOM 143 N THR A 364 12.744 11.609 3.308 1.00 0.00 N ATOM 144 CA THR A 364 12.364 12.505 2.247 1.00 0.00 C ATOM 145 C THR A 364 11.311 13.532 2.727 1.00 0.00 C ATOM 146 O THR A 364 11.669 14.552 3.305 1.00 0.00 O ATOM 147 CB THR A 364 11.885 11.684 1.035 1.00 0.00 C ATOM 148 OG1 THR A 364 12.806 10.586 0.847 1.00 0.00 O ATOM 149 CG2 THR A 364 11.865 12.532 -0.225 1.00 0.00 C ATOM 0 H THR A 364 12.488 10.637 3.133 1.00 0.00 H new ATOM 0 HA THR A 364 13.230 13.090 1.937 1.00 0.00 H new ATOM 0 HB THR A 364 10.873 11.325 1.222 1.00 0.00 H new ATOM 0 HG1 THR A 364 12.520 10.047 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 364 11.523 11.927 -1.065 1.00 0.00 H new ATOM 0 HG22 THR A 364 11.188 13.375 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 364 12.869 12.903 -0.430 1.00 0.00 H new ATOM 157 N GLN A 365 10.049 13.302 2.467 1.00 0.00 N ATOM 158 CA GLN A 365 9.022 14.132 3.067 1.00 0.00 C ATOM 159 C GLN A 365 8.512 13.364 4.267 1.00 0.00 C ATOM 160 O GLN A 365 8.383 13.883 5.376 1.00 0.00 O ATOM 161 CB GLN A 365 7.904 14.459 2.066 1.00 0.00 C ATOM 162 CG GLN A 365 8.403 15.142 0.784 1.00 0.00 C ATOM 163 CD GLN A 365 9.120 16.464 1.041 1.00 0.00 C ATOM 164 OE1 GLN A 365 8.512 17.524 1.060 1.00 0.00 O ATOM 165 NE2 GLN A 365 10.410 16.414 1.221 1.00 0.00 N ATOM 0 H GLN A 365 9.706 12.561 1.855 1.00 0.00 H new ATOM 0 HA GLN A 365 9.420 15.100 3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 365 7.387 13.537 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 365 7.172 15.106 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 365 9.079 14.466 0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 365 7.555 15.320 0.122 1.00 0.00 H new ATOM 0 HE21 GLN A 365 10.893 15.516 1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 365 10.936 17.273 1.383 1.00 0.00 H new ATOM 174 N GLU A 366 8.290 12.100 4.014 1.00 0.00 N ATOM 175 CA GLU A 366 7.935 11.117 4.982 1.00 0.00 C ATOM 176 C GLU A 366 8.639 9.848 4.554 1.00 0.00 C ATOM 177 O GLU A 366 8.624 9.501 3.376 1.00 0.00 O ATOM 178 CB GLU A 366 6.396 10.940 5.041 1.00 0.00 C ATOM 179 CG GLU A 366 5.889 9.727 5.837 1.00 0.00 C ATOM 180 CD GLU A 366 6.361 9.677 7.269 1.00 0.00 C ATOM 181 OE1 GLU A 366 7.459 9.151 7.521 1.00 0.00 O ATOM 182 OE2 GLU A 366 5.633 10.140 8.177 1.00 0.00 O ATOM 0 H GLU A 366 8.358 11.717 3.071 1.00 0.00 H new ATOM 0 HA GLU A 366 8.238 11.403 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 366 5.963 11.841 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 366 6.019 10.864 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 366 4.799 9.732 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 366 6.209 8.816 5.330 1.00 0.00 H new ATOM 189 N GLN A 367 9.286 9.194 5.473 1.00 0.00 N ATOM 190 CA GLN A 367 10.039 8.004 5.152 1.00 0.00 C ATOM 191 C GLN A 367 9.113 6.808 5.162 1.00 0.00 C ATOM 192 O GLN A 367 9.296 5.855 4.437 1.00 0.00 O ATOM 193 CB GLN A 367 11.181 7.804 6.142 1.00 0.00 C ATOM 194 CG GLN A 367 12.046 6.588 5.855 1.00 0.00 C ATOM 195 CD GLN A 367 13.165 6.454 6.840 1.00 0.00 C ATOM 196 OE1 GLN A 367 13.013 5.824 7.883 1.00 0.00 O ATOM 197 NE2 GLN A 367 14.291 7.034 6.531 1.00 0.00 N ATOM 0 H GLN A 367 9.311 9.461 6.457 1.00 0.00 H new ATOM 0 HA GLN A 367 10.474 8.115 4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 367 11.811 8.694 6.138 1.00 0.00 H new ATOM 0 HB3 GLN A 367 10.766 7.712 7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 367 11.429 5.690 5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 367 12.456 6.664 4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 367 14.376 7.548 5.654 1.00 0.00 H new ATOM 0 HE22 GLN A 367 15.087 6.974 7.166 1.00 0.00 H new ATOM 206 N TYR A 368 8.087 6.889 5.953 1.00 0.00 N ATOM 207 CA TYR A 368 7.141 5.810 6.070 1.00 0.00 C ATOM 208 C TYR A 368 5.983 5.976 5.110 1.00 0.00 C ATOM 209 O TYR A 368 4.960 5.319 5.230 1.00 0.00 O ATOM 210 CB TYR A 368 6.692 5.636 7.514 1.00 0.00 C ATOM 211 CG TYR A 368 7.800 5.093 8.384 1.00 0.00 C ATOM 212 CD1 TYR A 368 8.744 5.930 8.961 1.00 0.00 C ATOM 213 CD2 TYR A 368 7.910 3.733 8.609 1.00 0.00 C ATOM 214 CE1 TYR A 368 9.768 5.424 9.737 1.00 0.00 C ATOM 215 CE2 TYR A 368 8.922 3.218 9.383 1.00 0.00 C ATOM 216 CZ TYR A 368 9.852 4.064 9.947 1.00 0.00 C ATOM 217 OH TYR A 368 10.870 3.545 10.724 1.00 0.00 O ATOM 0 H TYR A 368 7.878 7.700 6.536 1.00 0.00 H new ATOM 0 HA TYR A 368 7.641 4.886 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 368 6.357 6.595 7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 368 5.837 4.960 7.550 1.00 0.00 H new ATOM 0 HD1 TYR A 368 8.677 6.996 8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 368 7.187 3.063 8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 368 10.497 6.088 10.176 1.00 0.00 H new ATOM 0 HE2 TYR A 368 8.988 2.153 9.549 1.00 0.00 H new ATOM 0 HH TYR A 368 10.781 2.570 10.771 1.00 0.00 H new ATOM 227 N GLU A 369 6.195 6.817 4.110 1.00 0.00 N ATOM 228 CA GLU A 369 5.223 7.069 3.051 1.00 0.00 C ATOM 229 C GLU A 369 5.178 5.851 2.112 1.00 0.00 C ATOM 230 O GLU A 369 4.228 5.646 1.349 1.00 0.00 O ATOM 231 CB GLU A 369 5.630 8.346 2.298 1.00 0.00 C ATOM 232 CG GLU A 369 4.702 8.764 1.170 1.00 0.00 C ATOM 233 CD GLU A 369 5.054 10.111 0.592 1.00 0.00 C ATOM 234 OE1 GLU A 369 5.983 10.210 -0.240 1.00 0.00 O ATOM 235 OE2 GLU A 369 4.395 11.103 0.939 1.00 0.00 O ATOM 0 H GLU A 369 7.057 7.352 4.007 1.00 0.00 H new ATOM 0 HA GLU A 369 4.226 7.217 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 369 5.694 9.165 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 369 6.630 8.202 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 369 4.738 8.014 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 369 3.677 8.789 1.540 1.00 0.00 H new ATOM 242 N LEU A 370 6.206 5.036 2.221 1.00 0.00 N ATOM 243 CA LEU A 370 6.372 3.808 1.454 1.00 0.00 C ATOM 244 C LEU A 370 5.799 2.599 2.209 1.00 0.00 C ATOM 245 O LEU A 370 6.046 1.450 1.843 1.00 0.00 O ATOM 246 CB LEU A 370 7.875 3.620 1.126 1.00 0.00 C ATOM 247 CG LEU A 370 8.878 3.754 2.300 1.00 0.00 C ATOM 248 CD1 LEU A 370 8.881 2.552 3.233 1.00 0.00 C ATOM 249 CD2 LEU A 370 10.274 4.057 1.802 1.00 0.00 C ATOM 0 H LEU A 370 6.977 5.211 2.865 1.00 0.00 H new ATOM 0 HA LEU A 370 5.813 3.884 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 370 8.003 2.632 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 370 8.148 4.349 0.363 1.00 0.00 H new ATOM 0 HG LEU A 370 8.531 4.600 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 370 9.605 2.713 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 370 7.888 2.424 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 370 9.151 1.657 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 370 10.952 4.145 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 370 10.611 3.251 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 370 10.266 4.994 1.246 1.00 0.00 H new ATOM 261 N TYR A 371 5.012 2.888 3.248 1.00 0.00 N ATOM 262 CA TYR A 371 4.407 1.872 4.135 1.00 0.00 C ATOM 263 C TYR A 371 3.600 0.824 3.354 1.00 0.00 C ATOM 264 O TYR A 371 3.541 -0.336 3.742 1.00 0.00 O ATOM 265 CB TYR A 371 3.472 2.549 5.188 1.00 0.00 C ATOM 266 CG TYR A 371 2.210 3.164 4.585 1.00 0.00 C ATOM 267 CD1 TYR A 371 2.281 4.288 3.781 1.00 0.00 C ATOM 268 CD2 TYR A 371 0.959 2.578 4.773 1.00 0.00 C ATOM 269 CE1 TYR A 371 1.169 4.815 3.193 1.00 0.00 C ATOM 270 CE2 TYR A 371 -0.170 3.104 4.168 1.00 0.00 C ATOM 271 CZ TYR A 371 -0.050 4.227 3.378 1.00 0.00 C ATOM 272 OH TYR A 371 -1.154 4.756 2.742 1.00 0.00 O ATOM 0 H TYR A 371 4.769 3.844 3.506 1.00 0.00 H new ATOM 0 HA TYR A 371 5.232 1.366 4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 371 3.184 1.808 5.934 1.00 0.00 H new ATOM 0 HB3 TYR A 371 4.030 3.326 5.710 1.00 0.00 H new ATOM 0 HD1 TYR A 371 3.239 4.759 3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 371 0.869 1.702 5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 371 1.252 5.700 2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 371 -1.134 2.639 4.314 1.00 0.00 H new ATOM 0 HH TYR A 371 -1.947 4.228 2.971 1.00 0.00 H new ATOM 282 N CYS A 372 3.012 1.228 2.257 1.00 0.00 N ATOM 283 CA CYS A 372 2.138 0.365 1.531 1.00 0.00 C ATOM 284 C CYS A 372 2.690 0.074 0.167 1.00 0.00 C ATOM 285 O CYS A 372 3.235 0.960 -0.500 1.00 0.00 O ATOM 286 CB CYS A 372 0.747 1.002 1.412 1.00 0.00 C ATOM 287 SG CYS A 372 -0.506 -0.025 0.610 1.00 0.00 S ATOM 0 H CYS A 372 3.129 2.156 1.851 1.00 0.00 H new ATOM 0 HA CYS A 372 2.054 -0.576 2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 372 0.397 1.260 2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 372 0.839 1.935 0.856 1.00 0.00 H new ATOM 0 HG CYS A 372 -0.003 -0.567 -0.460 1.00 0.00 H new ATOM 293 N GLU A 373 2.581 -1.162 -0.219 1.00 0.00 N ATOM 294 CA GLU A 373 2.928 -1.599 -1.531 1.00 0.00 C ATOM 295 C GLU A 373 1.700 -1.538 -2.420 1.00 0.00 C ATOM 296 O GLU A 373 0.583 -1.245 -1.950 1.00 0.00 O ATOM 297 CB GLU A 373 3.505 -3.009 -1.478 1.00 0.00 C ATOM 298 CG GLU A 373 4.930 -3.069 -0.974 1.00 0.00 C ATOM 299 CD GLU A 373 5.895 -2.478 -1.974 1.00 0.00 C ATOM 300 OE1 GLU A 373 6.306 -3.205 -2.927 1.00 0.00 O ATOM 301 OE2 GLU A 373 6.231 -1.296 -1.856 1.00 0.00 O ATOM 0 H GLU A 373 2.240 -1.909 0.386 1.00 0.00 H new ATOM 0 HA GLU A 373 3.692 -0.944 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 373 2.876 -3.625 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 373 3.464 -3.446 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 373 5.006 -2.529 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 373 5.202 -4.105 -0.772 1.00 0.00 H new ATOM 308 N MET A 374 1.891 -1.785 -3.680 1.00 0.00 N ATOM 309 CA MET A 374 0.807 -1.758 -4.642 1.00 0.00 C ATOM 310 C MET A 374 0.269 -3.183 -4.829 1.00 0.00 C ATOM 311 O MET A 374 -0.681 -3.430 -5.573 1.00 0.00 O ATOM 312 CB MET A 374 1.328 -1.197 -5.967 1.00 0.00 C ATOM 313 CG MET A 374 0.262 -0.910 -7.008 1.00 0.00 C ATOM 314 SD MET A 374 0.958 -0.374 -8.586 1.00 0.00 S ATOM 315 CE MET A 374 1.854 -1.853 -9.061 1.00 0.00 C ATOM 0 H MET A 374 2.801 -2.012 -4.081 1.00 0.00 H new ATOM 0 HA MET A 374 -0.003 -1.121 -4.286 1.00 0.00 H new ATOM 0 HB2 MET A 374 1.873 -0.275 -5.764 1.00 0.00 H new ATOM 0 HB3 MET A 374 2.043 -1.904 -6.387 1.00 0.00 H new ATOM 0 HG2 MET A 374 -0.337 -1.807 -7.165 1.00 0.00 H new ATOM 0 HG3 MET A 374 -0.410 -0.139 -6.631 1.00 0.00 H new ATOM 0 HE1 MET A 374 2.056 -1.828 -10.132 1.00 0.00 H new ATOM 0 HE2 MET A 374 2.796 -1.899 -8.515 1.00 0.00 H new ATOM 0 HE3 MET A 374 1.255 -2.733 -8.826 1.00 0.00 H new ATOM 325 N GLY A 375 0.892 -4.105 -4.162 1.00 0.00 N ATOM 326 CA GLY A 375 0.505 -5.476 -4.213 1.00 0.00 C ATOM 327 C GLY A 375 1.545 -6.305 -3.544 1.00 0.00 C ATOM 328 O GLY A 375 2.241 -5.811 -2.641 1.00 0.00 O ATOM 0 H GLY A 375 1.694 -3.921 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 375 -0.458 -5.613 -3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 375 0.381 -5.793 -5.249 1.00 0.00 H new ATOM 332 N SER A 376 1.663 -7.527 -3.950 1.00 0.00 N ATOM 333 CA SER A 376 2.675 -8.384 -3.425 1.00 0.00 C ATOM 334 C SER A 376 4.000 -8.124 -4.143 1.00 0.00 C ATOM 335 O SER A 376 4.159 -8.439 -5.333 1.00 0.00 O ATOM 336 CB SER A 376 2.242 -9.834 -3.554 1.00 0.00 C ATOM 337 OG SER A 376 0.983 -10.026 -2.915 1.00 0.00 O ATOM 0 H SER A 376 1.063 -7.958 -4.653 1.00 0.00 H new ATOM 0 HA SER A 376 2.822 -8.173 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 376 2.170 -10.108 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 376 2.990 -10.487 -3.105 1.00 0.00 H new ATOM 0 HG SER A 376 0.710 -10.963 -3.004 1.00 0.00 H new ATOM 343 N THR A 377 4.900 -7.487 -3.425 1.00 0.00 N ATOM 344 CA THR A 377 6.226 -7.141 -3.870 1.00 0.00 C ATOM 345 C THR A 377 6.968 -8.372 -4.424 1.00 0.00 C ATOM 346 O THR A 377 6.811 -9.492 -3.905 1.00 0.00 O ATOM 347 CB THR A 377 6.988 -6.636 -2.642 1.00 0.00 C ATOM 348 OG1 THR A 377 6.145 -5.746 -1.923 1.00 0.00 O ATOM 349 CG2 THR A 377 8.275 -5.921 -3.011 1.00 0.00 C ATOM 0 H THR A 377 4.714 -7.183 -2.469 1.00 0.00 H new ATOM 0 HA THR A 377 6.164 -6.394 -4.661 1.00 0.00 H new ATOM 0 HB THR A 377 7.261 -7.499 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 377 6.098 -4.888 -2.394 1.00 0.00 H new ATOM 0 HG21 THR A 377 8.776 -5.583 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 377 8.928 -6.604 -3.554 1.00 0.00 H new ATOM 0 HG23 THR A 377 8.046 -5.061 -3.641 1.00 0.00 H new ATOM 357 N PHE A 378 7.781 -8.150 -5.454 1.00 0.00 N ATOM 358 CA PHE A 378 8.617 -9.188 -6.058 1.00 0.00 C ATOM 359 C PHE A 378 9.494 -9.835 -4.990 1.00 0.00 C ATOM 360 O PHE A 378 9.661 -11.054 -4.957 1.00 0.00 O ATOM 361 CB PHE A 378 9.487 -8.561 -7.167 1.00 0.00 C ATOM 362 CG PHE A 378 10.491 -9.491 -7.795 1.00 0.00 C ATOM 363 CD1 PHE A 378 10.108 -10.398 -8.761 1.00 0.00 C ATOM 364 CD2 PHE A 378 11.828 -9.440 -7.421 1.00 0.00 C ATOM 365 CE1 PHE A 378 11.032 -11.244 -9.344 1.00 0.00 C ATOM 366 CE2 PHE A 378 12.756 -10.280 -7.996 1.00 0.00 C ATOM 367 CZ PHE A 378 12.357 -11.187 -8.963 1.00 0.00 C ATOM 0 H PHE A 378 7.880 -7.237 -5.898 1.00 0.00 H new ATOM 0 HA PHE A 378 7.984 -9.959 -6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 378 8.831 -8.178 -7.949 1.00 0.00 H new ATOM 0 HB3 PHE A 378 10.019 -7.706 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 378 9.073 -10.448 -9.066 1.00 0.00 H new ATOM 0 HD2 PHE A 378 12.144 -8.732 -6.669 1.00 0.00 H new ATOM 0 HE1 PHE A 378 10.717 -11.950 -10.098 1.00 0.00 H new ATOM 0 HE2 PHE A 378 13.792 -10.231 -7.693 1.00 0.00 H new ATOM 0 HZ PHE A 378 13.080 -11.848 -9.418 1.00 0.00 H new ATOM 377 N GLN A 379 10.012 -8.996 -4.106 1.00 0.00 N ATOM 378 CA GLN A 379 10.850 -9.418 -2.995 1.00 0.00 C ATOM 379 C GLN A 379 10.124 -10.319 -2.024 1.00 0.00 C ATOM 380 O GLN A 379 10.712 -11.237 -1.503 1.00 0.00 O ATOM 381 CB GLN A 379 11.341 -8.223 -2.215 1.00 0.00 C ATOM 382 CG GLN A 379 12.409 -7.403 -2.877 1.00 0.00 C ATOM 383 CD GLN A 379 12.758 -6.169 -2.067 1.00 0.00 C ATOM 384 OE1 GLN A 379 13.182 -5.163 -2.621 1.00 0.00 O ATOM 385 NE2 GLN A 379 12.556 -6.217 -0.762 1.00 0.00 N ATOM 0 H GLN A 379 9.860 -7.988 -4.141 1.00 0.00 H new ATOM 0 HA GLN A 379 11.678 -9.968 -3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 379 10.490 -7.575 -2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 379 11.720 -8.571 -1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 379 13.302 -8.012 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 379 12.073 -7.103 -3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 379 12.202 -7.071 -0.332 1.00 0.00 H new ATOM 0 HE22 GLN A 379 12.754 -5.400 -0.185 1.00 0.00 H new ATOM 394 N LEU A 380 8.856 -10.061 -1.808 1.00 0.00 N ATOM 395 CA LEU A 380 8.111 -10.758 -0.785 1.00 0.00 C ATOM 396 C LEU A 380 7.856 -12.205 -1.112 1.00 0.00 C ATOM 397 O LEU A 380 7.588 -12.567 -2.263 1.00 0.00 O ATOM 398 CB LEU A 380 6.788 -10.049 -0.445 1.00 0.00 C ATOM 399 CG LEU A 380 6.889 -8.722 0.318 1.00 0.00 C ATOM 400 CD1 LEU A 380 5.509 -8.113 0.496 1.00 0.00 C ATOM 401 CD2 LEU A 380 7.533 -8.936 1.678 1.00 0.00 C ATOM 0 H LEU A 380 8.316 -9.370 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 380 8.753 -10.735 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 380 6.252 -9.865 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 380 6.178 -10.734 0.144 1.00 0.00 H new ATOM 0 HG LEU A 380 7.510 -8.040 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 380 5.594 -7.172 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 380 5.064 -7.929 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 380 4.878 -8.801 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 380 7.596 -7.984 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 380 6.931 -9.633 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 380 8.535 -9.345 1.546 1.00 0.00 H new ATOM 413 N CYS A 381 7.977 -13.009 -0.097 1.00 0.00 N ATOM 414 CA CYS A 381 7.642 -14.394 -0.121 1.00 0.00 C ATOM 415 C CYS A 381 6.144 -14.477 -0.372 1.00 0.00 C ATOM 416 O CYS A 381 5.355 -14.023 0.459 1.00 0.00 O ATOM 417 CB CYS A 381 8.010 -14.960 1.260 1.00 0.00 C ATOM 418 SG CYS A 381 7.431 -16.658 1.677 1.00 0.00 S ATOM 0 H CYS A 381 8.328 -12.699 0.809 1.00 0.00 H new ATOM 0 HA CYS A 381 8.166 -14.958 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 381 9.096 -14.946 1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 381 7.620 -14.278 2.016 1.00 0.00 H new ATOM 0 HG CYS A 381 6.586 -16.598 2.663 1.00 0.00 H new ATOM 423 N LYS A 382 5.751 -15.042 -1.495 1.00 0.00 N ATOM 424 CA LYS A 382 4.341 -15.028 -1.905 1.00 0.00 C ATOM 425 C LYS A 382 3.464 -15.926 -1.023 1.00 0.00 C ATOM 426 O LYS A 382 2.239 -15.908 -1.135 1.00 0.00 O ATOM 427 CB LYS A 382 4.181 -15.420 -3.386 1.00 0.00 C ATOM 428 CG LYS A 382 5.072 -14.648 -4.363 1.00 0.00 C ATOM 429 CD LYS A 382 4.870 -13.142 -4.294 1.00 0.00 C ATOM 430 CE LYS A 382 5.836 -12.421 -5.230 1.00 0.00 C ATOM 431 NZ LYS A 382 7.255 -12.758 -4.926 1.00 0.00 N ATOM 0 H LYS A 382 6.377 -15.518 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 382 3.997 -14.002 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.393 -16.484 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 382 3.140 -15.273 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 382 6.116 -14.878 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 382 4.869 -14.990 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 382 3.843 -12.896 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 382 5.022 -12.797 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 382 5.611 -12.690 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 382 5.691 -11.344 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 7.862 -11.945 -5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 7.349 -12.985 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 7.546 -13.579 -5.494 1.00 0.00 H new ATOM 445 N ILE A 383 4.086 -16.706 -0.158 1.00 0.00 N ATOM 446 CA ILE A 383 3.352 -17.589 0.736 1.00 0.00 C ATOM 447 C ILE A 383 2.777 -16.783 1.898 1.00 0.00 C ATOM 448 O ILE A 383 1.589 -16.862 2.197 1.00 0.00 O ATOM 449 CB ILE A 383 4.263 -18.700 1.324 1.00 0.00 C ATOM 450 CG1 ILE A 383 5.027 -19.396 0.215 1.00 0.00 C ATOM 451 CG2 ILE A 383 3.421 -19.728 2.081 1.00 0.00 C ATOM 452 CD1 ILE A 383 6.036 -20.407 0.701 1.00 0.00 C ATOM 0 H ILE A 383 5.100 -16.747 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 383 2.558 -18.055 0.152 1.00 0.00 H new ATOM 0 HB ILE A 383 4.970 -18.236 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 383 4.316 -19.896 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 383 5.541 -18.645 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 383 4.071 -20.502 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 383 2.890 -19.235 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 383 2.701 -20.181 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 383 6.539 -20.859 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 383 6.772 -19.911 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 383 5.527 -21.182 1.274 1.00 0.00 H new ATOM 464 N CYS A 384 3.620 -15.979 2.507 1.00 0.00 N ATOM 465 CA CYS A 384 3.258 -15.257 3.702 1.00 0.00 C ATOM 466 C CYS A 384 2.947 -13.793 3.425 1.00 0.00 C ATOM 467 O CYS A 384 2.147 -13.182 4.125 1.00 0.00 O ATOM 468 CB CYS A 384 4.397 -15.392 4.712 1.00 0.00 C ATOM 469 SG CYS A 384 6.086 -15.179 3.971 1.00 0.00 S ATOM 0 H CYS A 384 4.573 -15.809 2.187 1.00 0.00 H new ATOM 0 HA CYS A 384 2.342 -15.688 4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 384 4.261 -14.652 5.500 1.00 0.00 H new ATOM 0 HB3 CYS A 384 4.338 -16.373 5.183 1.00 0.00 H new ATOM 0 HG CYS A 384 6.910 -16.022 4.520 1.00 0.00 H new ATOM 474 N ALA A 385 3.614 -13.241 2.405 1.00 0.00 N ATOM 475 CA ALA A 385 3.510 -11.828 2.007 1.00 0.00 C ATOM 476 C ALA A 385 4.037 -10.906 3.110 1.00 0.00 C ATOM 477 O ALA A 385 3.786 -9.698 3.120 1.00 0.00 O ATOM 478 CB ALA A 385 2.081 -11.458 1.595 1.00 0.00 C ATOM 0 H ALA A 385 4.256 -13.774 1.819 1.00 0.00 H new ATOM 0 HA ALA A 385 4.140 -11.686 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 385 2.046 -10.407 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.775 -12.075 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 385 1.405 -11.628 2.433 1.00 0.00 H new ATOM 484 N GLU A 386 4.800 -11.479 4.017 1.00 0.00 N ATOM 485 CA GLU A 386 5.355 -10.740 5.122 1.00 0.00 C ATOM 486 C GLU A 386 6.854 -10.623 4.990 1.00 0.00 C ATOM 487 O GLU A 386 7.409 -9.528 4.998 1.00 0.00 O ATOM 488 CB GLU A 386 4.993 -11.401 6.447 1.00 0.00 C ATOM 489 CG GLU A 386 3.505 -11.435 6.732 1.00 0.00 C ATOM 490 CD GLU A 386 3.195 -12.059 8.055 1.00 0.00 C ATOM 491 OE1 GLU A 386 3.402 -11.406 9.086 1.00 0.00 O ATOM 492 OE2 GLU A 386 2.753 -13.230 8.098 1.00 0.00 O ATOM 0 H GLU A 386 5.050 -12.468 4.006 1.00 0.00 H new ATOM 0 HA GLU A 386 4.928 -9.737 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 386 5.376 -12.421 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 386 5.495 -10.870 7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 386 3.110 -10.419 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 386 2.999 -11.991 5.943 1.00 0.00 H new ATOM 499 N ASN A 387 7.496 -11.738 4.834 1.00 0.00 N ATOM 500 CA ASN A 387 8.940 -11.767 4.777 1.00 0.00 C ATOM 501 C ASN A 387 9.398 -11.758 3.345 1.00 0.00 C ATOM 502 O ASN A 387 8.633 -12.125 2.445 1.00 0.00 O ATOM 503 CB ASN A 387 9.472 -13.002 5.501 1.00 0.00 C ATOM 504 CG ASN A 387 9.102 -13.029 6.969 1.00 0.00 C ATOM 505 OD1 ASN A 387 9.015 -11.994 7.623 1.00 0.00 O ATOM 506 ND2 ASN A 387 8.846 -14.199 7.480 1.00 0.00 N ATOM 0 H ASN A 387 7.048 -12.650 4.743 1.00 0.00 H new ATOM 0 HA ASN A 387 9.332 -10.880 5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 387 9.082 -13.897 5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 387 10.557 -13.034 5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 387 8.562 -14.278 8.456 1.00 0.00 H new ATOM 0 HD22 ASN A 387 8.930 -15.037 6.904 1.00 0.00 H new ATOM 513 N ASP A 388 10.613 -11.323 3.125 1.00 0.00 N ATOM 514 CA ASP A 388 11.180 -11.261 1.782 1.00 0.00 C ATOM 515 C ASP A 388 11.809 -12.590 1.435 1.00 0.00 C ATOM 516 O ASP A 388 11.990 -13.442 2.306 1.00 0.00 O ATOM 517 CB ASP A 388 12.245 -10.151 1.653 1.00 0.00 C ATOM 518 CG ASP A 388 11.722 -8.750 1.895 1.00 0.00 C ATOM 519 OD1 ASP A 388 11.283 -8.081 0.940 1.00 0.00 O ATOM 520 OD2 ASP A 388 11.784 -8.275 3.056 1.00 0.00 O ATOM 0 H ASP A 388 11.242 -11.001 3.861 1.00 0.00 H new ATOM 0 HA ASP A 388 10.367 -11.031 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 388 13.050 -10.352 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 388 12.680 -10.196 0.654 1.00 0.00 H new ATOM 525 N LYS A 389 12.104 -12.782 0.171 1.00 0.00 N ATOM 526 CA LYS A 389 12.763 -13.974 -0.298 1.00 0.00 C ATOM 527 C LYS A 389 14.221 -13.973 0.193 1.00 0.00 C ATOM 528 O LYS A 389 15.093 -13.296 -0.357 1.00 0.00 O ATOM 529 CB LYS A 389 12.636 -14.098 -1.856 1.00 0.00 C ATOM 530 CG LYS A 389 13.362 -13.018 -2.673 1.00 0.00 C ATOM 531 CD LYS A 389 12.931 -12.997 -4.135 1.00 0.00 C ATOM 532 CE LYS A 389 13.714 -11.970 -4.947 1.00 0.00 C ATOM 533 NZ LYS A 389 15.158 -12.309 -5.071 1.00 0.00 N ATOM 0 H LYS A 389 11.891 -12.109 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 389 12.279 -14.859 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 389 13.019 -15.073 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 389 11.578 -14.076 -2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 389 13.170 -12.042 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 389 14.437 -13.188 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 389 13.073 -13.987 -4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 389 11.866 -12.772 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 389 13.277 -11.892 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 389 13.615 -10.991 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 15.582 -11.748 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 15.643 -12.095 -4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 15.260 -13.321 -5.287 1.00 0.00 H new ATOM 547 N ASP A 390 14.466 -14.669 1.269 1.00 0.00 N ATOM 548 CA ASP A 390 15.784 -14.684 1.859 1.00 0.00 C ATOM 549 C ASP A 390 16.435 -16.046 1.713 1.00 0.00 C ATOM 550 O ASP A 390 17.589 -16.242 2.132 1.00 0.00 O ATOM 551 CB ASP A 390 15.748 -14.269 3.339 1.00 0.00 C ATOM 552 CG ASP A 390 15.259 -15.359 4.265 1.00 0.00 C ATOM 553 OD1 ASP A 390 14.055 -15.657 4.293 1.00 0.00 O ATOM 554 OD2 ASP A 390 16.067 -15.913 5.024 1.00 0.00 O ATOM 0 H ASP A 390 13.773 -15.235 1.758 1.00 0.00 H new ATOM 0 HA ASP A 390 16.384 -13.953 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 390 16.749 -13.966 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 390 15.103 -13.397 3.447 1.00 0.00 H new ATOM 559 N VAL A 391 15.724 -16.985 1.128 1.00 0.00 N ATOM 560 CA VAL A 391 16.273 -18.298 0.893 1.00 0.00 C ATOM 561 C VAL A 391 15.932 -18.762 -0.528 1.00 0.00 C ATOM 562 O VAL A 391 14.794 -18.593 -1.005 1.00 0.00 O ATOM 563 CB VAL A 391 15.803 -19.340 1.958 1.00 0.00 C ATOM 564 CG1 VAL A 391 14.324 -19.661 1.849 1.00 0.00 C ATOM 565 CG2 VAL A 391 16.647 -20.599 1.917 1.00 0.00 C ATOM 0 H VAL A 391 14.764 -16.861 0.807 1.00 0.00 H new ATOM 0 HA VAL A 391 17.356 -18.227 0.992 1.00 0.00 H new ATOM 0 HB VAL A 391 15.949 -18.872 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 391 14.053 -20.390 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 391 13.742 -18.750 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 391 14.113 -20.074 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 391 16.291 -21.301 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 391 16.570 -21.057 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 391 17.688 -20.346 2.119 1.00 0.00 H new ATOM 575 N LYS A 392 16.926 -19.256 -1.211 1.00 0.00 N ATOM 576 CA LYS A 392 16.786 -19.742 -2.544 1.00 0.00 C ATOM 577 C LYS A 392 16.975 -21.249 -2.537 1.00 0.00 C ATOM 578 O LYS A 392 18.036 -21.750 -2.135 1.00 0.00 O ATOM 579 CB LYS A 392 17.810 -19.041 -3.457 1.00 0.00 C ATOM 580 CG LYS A 392 17.742 -19.411 -4.934 1.00 0.00 C ATOM 581 CD LYS A 392 18.565 -18.424 -5.753 1.00 0.00 C ATOM 582 CE LYS A 392 18.493 -18.695 -7.249 1.00 0.00 C ATOM 583 NZ LYS A 392 19.250 -19.890 -7.652 1.00 0.00 N ATOM 0 H LYS A 392 17.875 -19.331 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 392 15.792 -19.522 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 392 17.673 -17.964 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 392 18.811 -19.268 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 392 18.118 -20.423 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 392 16.706 -19.403 -5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 392 18.213 -17.412 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 392 19.605 -18.469 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 392 17.450 -18.816 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 392 18.877 -17.829 -7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 19.193 -20.005 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 20.245 -19.782 -7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 18.848 -20.729 -7.187 1.00 0.00 H new ATOM 597 N ILE A 393 15.945 -21.954 -2.921 1.00 0.00 N ATOM 598 CA ILE A 393 15.957 -23.399 -2.972 1.00 0.00 C ATOM 599 C ILE A 393 16.645 -23.841 -4.244 1.00 0.00 C ATOM 600 O ILE A 393 16.195 -23.523 -5.335 1.00 0.00 O ATOM 601 CB ILE A 393 14.507 -24.012 -2.933 1.00 0.00 C ATOM 602 CG1 ILE A 393 13.805 -23.782 -1.586 1.00 0.00 C ATOM 603 CG2 ILE A 393 14.513 -25.494 -3.266 1.00 0.00 C ATOM 604 CD1 ILE A 393 13.325 -22.376 -1.333 1.00 0.00 C ATOM 0 H ILE A 393 15.060 -21.539 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 393 16.491 -23.757 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 393 13.940 -23.483 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 393 12.950 -24.455 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 393 14.491 -24.062 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 393 13.494 -25.879 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 393 14.920 -25.640 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 393 15.129 -26.027 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 393 12.845 -22.326 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 393 14.173 -21.692 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 393 12.609 -22.092 -2.104 1.00 0.00 H new ATOM 616 N GLU A 394 17.702 -24.572 -4.090 1.00 0.00 N ATOM 617 CA GLU A 394 18.511 -25.028 -5.183 1.00 0.00 C ATOM 618 C GLU A 394 18.318 -26.514 -5.427 1.00 0.00 C ATOM 619 O GLU A 394 17.931 -27.252 -4.514 1.00 0.00 O ATOM 620 CB GLU A 394 19.967 -24.720 -4.889 1.00 0.00 C ATOM 621 CG GLU A 394 20.275 -23.244 -4.945 1.00 0.00 C ATOM 622 CD GLU A 394 20.105 -22.698 -6.339 1.00 0.00 C ATOM 623 OE1 GLU A 394 18.979 -22.354 -6.736 1.00 0.00 O ATOM 624 OE2 GLU A 394 21.112 -22.583 -7.060 1.00 0.00 O ATOM 0 H GLU A 394 18.039 -24.879 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 394 18.205 -24.506 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 394 20.222 -25.103 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 394 20.597 -25.246 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 394 19.618 -22.708 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 394 21.297 -23.071 -4.607 1.00 0.00 H new ATOM 631 N PRO A 395 18.516 -26.981 -6.676 1.00 0.00 N ATOM 632 CA PRO A 395 18.863 -26.125 -7.834 1.00 0.00 C ATOM 633 C PRO A 395 17.604 -25.596 -8.519 1.00 0.00 C ATOM 634 O PRO A 395 17.659 -25.004 -9.594 1.00 0.00 O ATOM 635 CB PRO A 395 19.574 -27.105 -8.752 1.00 0.00 C ATOM 636 CG PRO A 395 18.865 -28.396 -8.518 1.00 0.00 C ATOM 637 CD PRO A 395 18.466 -28.406 -7.066 1.00 0.00 C ATOM 0 HA PRO A 395 19.453 -25.249 -7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 395 19.507 -26.796 -9.795 1.00 0.00 H new ATOM 0 HB3 PRO A 395 20.634 -27.182 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 395 17.989 -28.480 -9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 395 19.513 -29.242 -8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 395 17.469 -28.824 -6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 395 19.149 -29.009 -6.468 1.00 0.00 H new ATOM 645 N CYS A 396 16.487 -25.854 -7.866 1.00 0.00 N ATOM 646 CA CYS A 396 15.161 -25.480 -8.284 1.00 0.00 C ATOM 647 C CYS A 396 15.088 -23.994 -8.709 1.00 0.00 C ATOM 648 O CYS A 396 14.560 -23.667 -9.774 1.00 0.00 O ATOM 649 CB CYS A 396 14.233 -25.757 -7.096 1.00 0.00 C ATOM 650 SG CYS A 396 12.448 -25.519 -7.377 1.00 0.00 S ATOM 0 H CYS A 396 16.487 -26.359 -6.980 1.00 0.00 H new ATOM 0 HA CYS A 396 14.864 -26.056 -9.160 1.00 0.00 H new ATOM 0 HB2 CYS A 396 14.392 -26.786 -6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 396 14.536 -25.113 -6.270 1.00 0.00 H new ATOM 0 HG CYS A 396 11.887 -25.110 -6.278 1.00 0.00 H new ATOM 655 N GLY A 397 15.644 -23.126 -7.895 1.00 0.00 N ATOM 656 CA GLY A 397 15.621 -21.722 -8.169 1.00 0.00 C ATOM 657 C GLY A 397 14.377 -21.093 -7.627 1.00 0.00 C ATOM 658 O GLY A 397 13.780 -20.232 -8.257 1.00 0.00 O ATOM 0 H GLY A 397 16.121 -23.380 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 397 16.496 -21.247 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 397 15.678 -21.556 -9.245 1.00 0.00 H new ATOM 662 N HIS A 398 13.956 -21.547 -6.476 1.00 0.00 N ATOM 663 CA HIS A 398 12.765 -21.013 -5.862 1.00 0.00 C ATOM 664 C HIS A 398 13.093 -20.049 -4.759 1.00 0.00 C ATOM 665 O HIS A 398 13.984 -20.291 -3.951 1.00 0.00 O ATOM 666 CB HIS A 398 11.773 -22.106 -5.453 1.00 0.00 C ATOM 667 CG HIS A 398 10.950 -22.603 -6.621 1.00 0.00 C ATOM 668 ND1 HIS A 398 9.830 -23.409 -6.501 1.00 0.00 N ATOM 669 CD2 HIS A 398 11.059 -22.320 -7.943 1.00 0.00 C ATOM 670 CE1 HIS A 398 9.308 -23.566 -7.741 1.00 0.00 C ATOM 671 NE2 HIS A 398 10.020 -22.933 -8.636 1.00 0.00 N ATOM 0 H HIS A 398 14.418 -22.284 -5.944 1.00 0.00 H new ATOM 0 HA HIS A 398 12.242 -20.431 -6.621 1.00 0.00 H new ATOM 0 HB2 HIS A 398 12.318 -22.942 -5.014 1.00 0.00 H new ATOM 0 HB3 HIS A 398 11.107 -21.719 -4.681 1.00 0.00 H new ATOM 0 HD1 HIS A 398 9.465 -23.811 -5.637 1.00 0.00 H new ATOM 0 HD2 HIS A 398 11.833 -21.713 -8.389 1.00 0.00 H new ATOM 0 HE1 HIS A 398 8.420 -24.139 -7.961 1.00 0.00 H new ATOM 679 N LEU A 399 12.383 -18.958 -4.758 1.00 0.00 N ATOM 680 CA LEU A 399 12.654 -17.823 -3.915 1.00 0.00 C ATOM 681 C LEU A 399 11.536 -17.649 -2.904 1.00 0.00 C ATOM 682 O LEU A 399 10.378 -17.479 -3.284 1.00 0.00 O ATOM 683 CB LEU A 399 12.689 -16.601 -4.823 1.00 0.00 C ATOM 684 CG LEU A 399 13.532 -16.740 -6.103 1.00 0.00 C ATOM 685 CD1 LEU A 399 13.339 -15.548 -7.012 1.00 0.00 C ATOM 686 CD2 LEU A 399 15.000 -16.923 -5.771 1.00 0.00 C ATOM 0 H LEU A 399 11.572 -18.827 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 399 13.593 -17.957 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 399 11.666 -16.355 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 399 13.071 -15.757 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 399 13.188 -17.630 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 399 13.946 -15.672 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 399 12.289 -15.471 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 399 13.643 -14.640 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 399 15.573 -17.019 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 399 15.357 -16.059 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 399 15.128 -17.823 -5.170 1.00 0.00 H new ATOM 698 N MET A 400 11.870 -17.691 -1.635 1.00 0.00 N ATOM 699 CA MET A 400 10.885 -17.533 -0.572 1.00 0.00 C ATOM 700 C MET A 400 11.600 -17.192 0.714 1.00 0.00 C ATOM 701 O MET A 400 12.817 -16.995 0.702 1.00 0.00 O ATOM 702 CB MET A 400 10.068 -18.821 -0.417 1.00 0.00 C ATOM 703 CG MET A 400 10.893 -20.031 -0.021 1.00 0.00 C ATOM 704 SD MET A 400 9.995 -21.575 -0.199 1.00 0.00 S ATOM 705 CE MET A 400 9.758 -21.603 -1.979 1.00 0.00 C ATOM 0 H MET A 400 12.824 -17.834 -1.304 1.00 0.00 H new ATOM 0 HA MET A 400 10.197 -16.726 -0.822 1.00 0.00 H new ATOM 0 HB2 MET A 400 9.294 -18.660 0.334 1.00 0.00 H new ATOM 0 HB3 MET A 400 9.560 -19.032 -1.358 1.00 0.00 H new ATOM 0 HG2 MET A 400 11.794 -20.067 -0.634 1.00 0.00 H new ATOM 0 HG3 MET A 400 11.216 -19.921 1.014 1.00 0.00 H new ATOM 0 HE1 MET A 400 9.494 -22.612 -2.295 1.00 0.00 H new ATOM 0 HE2 MET A 400 8.956 -20.916 -2.250 1.00 0.00 H new ATOM 0 HE3 MET A 400 10.680 -21.298 -2.474 1.00 0.00 H new ATOM 715 N CYS A 401 10.885 -17.098 1.802 1.00 0.00 N ATOM 716 CA CYS A 401 11.520 -16.808 3.053 1.00 0.00 C ATOM 717 C CYS A 401 11.800 -18.083 3.813 1.00 0.00 C ATOM 718 O CYS A 401 11.033 -19.069 3.708 1.00 0.00 O ATOM 719 CB CYS A 401 10.685 -15.836 3.894 1.00 0.00 C ATOM 720 SG CYS A 401 8.966 -16.378 4.260 1.00 0.00 S ATOM 0 H CYS A 401 9.873 -17.217 1.846 1.00 0.00 H new ATOM 0 HA CYS A 401 12.471 -16.319 2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 401 11.202 -15.664 4.838 1.00 0.00 H new ATOM 0 HB3 CYS A 401 10.642 -14.878 3.375 1.00 0.00 H new ATOM 0 HG CYS A 401 8.138 -15.757 3.473 1.00 0.00 H new ATOM 725 N THR A 402 12.888 -18.074 4.557 1.00 0.00 N ATOM 726 CA THR A 402 13.306 -19.191 5.376 1.00 0.00 C ATOM 727 C THR A 402 12.194 -19.593 6.366 1.00 0.00 C ATOM 728 O THR A 402 12.040 -20.766 6.676 1.00 0.00 O ATOM 729 CB THR A 402 14.617 -18.846 6.132 1.00 0.00 C ATOM 730 OG1 THR A 402 15.620 -18.454 5.181 1.00 0.00 O ATOM 731 CG2 THR A 402 15.140 -20.033 6.930 1.00 0.00 C ATOM 0 H THR A 402 13.518 -17.273 4.609 1.00 0.00 H new ATOM 0 HA THR A 402 13.498 -20.042 4.723 1.00 0.00 H new ATOM 0 HB THR A 402 14.398 -18.035 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 402 15.924 -17.545 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 402 16.058 -19.750 7.444 1.00 0.00 H new ATOM 0 HG22 THR A 402 14.393 -20.336 7.663 1.00 0.00 H new ATOM 0 HG23 THR A 402 15.344 -20.864 6.255 1.00 0.00 H new ATOM 739 N SER A 403 11.398 -18.619 6.802 1.00 0.00 N ATOM 740 CA SER A 403 10.294 -18.862 7.708 1.00 0.00 C ATOM 741 C SER A 403 9.307 -19.882 7.114 1.00 0.00 C ATOM 742 O SER A 403 9.056 -20.929 7.714 1.00 0.00 O ATOM 743 CB SER A 403 9.594 -17.547 7.984 1.00 0.00 C ATOM 744 OG SER A 403 10.531 -16.573 8.407 1.00 0.00 O ATOM 0 H SER A 403 11.506 -17.641 6.533 1.00 0.00 H new ATOM 0 HA SER A 403 10.677 -19.280 8.639 1.00 0.00 H new ATOM 0 HB2 SER A 403 9.082 -17.203 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 403 8.832 -17.686 8.751 1.00 0.00 H new ATOM 0 HG SER A 403 10.092 -15.937 9.010 1.00 0.00 H new ATOM 750 N CYS A 404 8.809 -19.600 5.908 1.00 0.00 N ATOM 751 CA CYS A 404 7.856 -20.488 5.255 1.00 0.00 C ATOM 752 C CYS A 404 8.512 -21.817 4.916 1.00 0.00 C ATOM 753 O CYS A 404 7.926 -22.883 5.115 1.00 0.00 O ATOM 754 CB CYS A 404 7.329 -19.853 3.970 1.00 0.00 C ATOM 755 SG CYS A 404 6.566 -18.197 4.174 1.00 0.00 S ATOM 0 H CYS A 404 9.051 -18.768 5.370 1.00 0.00 H new ATOM 0 HA CYS A 404 7.028 -20.657 5.944 1.00 0.00 H new ATOM 0 HB2 CYS A 404 8.152 -19.771 3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 404 6.592 -20.523 3.528 1.00 0.00 H new ATOM 0 HG CYS A 404 7.408 -17.282 3.796 1.00 0.00 H new ATOM 760 N LEU A 405 9.747 -21.741 4.444 1.00 0.00 N ATOM 761 CA LEU A 405 10.469 -22.914 4.016 1.00 0.00 C ATOM 762 C LEU A 405 10.690 -23.885 5.170 1.00 0.00 C ATOM 763 O LEU A 405 10.318 -25.045 5.078 1.00 0.00 O ATOM 764 CB LEU A 405 11.798 -22.531 3.372 1.00 0.00 C ATOM 765 CG LEU A 405 12.615 -23.691 2.809 1.00 0.00 C ATOM 766 CD1 LEU A 405 11.865 -24.409 1.693 1.00 0.00 C ATOM 767 CD2 LEU A 405 13.962 -23.211 2.331 1.00 0.00 C ATOM 0 H LEU A 405 10.267 -20.869 4.350 1.00 0.00 H new ATOM 0 HA LEU A 405 9.859 -23.420 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 405 11.601 -21.824 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.404 -22.009 4.113 1.00 0.00 H new ATOM 0 HG LEU A 405 12.773 -24.409 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 405 12.475 -25.229 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 405 10.926 -24.804 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.657 -23.708 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 405 14.528 -24.053 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 405 13.826 -22.464 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 405 14.507 -22.768 3.164 1.00 0.00 H new ATOM 779 N THR A 406 11.221 -23.389 6.271 1.00 0.00 N ATOM 780 CA THR A 406 11.506 -24.224 7.421 1.00 0.00 C ATOM 781 C THR A 406 10.204 -24.772 8.025 1.00 0.00 C ATOM 782 O THR A 406 10.146 -25.927 8.432 1.00 0.00 O ATOM 783 CB THR A 406 12.296 -23.445 8.485 1.00 0.00 C ATOM 784 OG1 THR A 406 13.402 -22.765 7.854 1.00 0.00 O ATOM 785 CG2 THR A 406 12.846 -24.385 9.529 1.00 0.00 C ATOM 0 H THR A 406 11.465 -22.406 6.393 1.00 0.00 H new ATOM 0 HA THR A 406 12.117 -25.061 7.084 1.00 0.00 H new ATOM 0 HB THR A 406 11.626 -22.729 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 406 13.084 -21.934 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.402 -23.816 10.274 1.00 0.00 H new ATOM 0 HG22 THR A 406 12.024 -24.911 10.014 1.00 0.00 H new ATOM 0 HG23 THR A 406 13.510 -25.108 9.054 1.00 0.00 H new ATOM 793 N SER A 407 9.156 -23.947 8.024 1.00 0.00 N ATOM 794 CA SER A 407 7.848 -24.346 8.516 1.00 0.00 C ATOM 795 C SER A 407 7.346 -25.558 7.721 1.00 0.00 C ATOM 796 O SER A 407 6.827 -26.529 8.292 1.00 0.00 O ATOM 797 CB SER A 407 6.858 -23.167 8.391 1.00 0.00 C ATOM 798 OG SER A 407 5.579 -23.487 8.921 1.00 0.00 O ATOM 0 H SER A 407 9.195 -22.987 7.682 1.00 0.00 H new ATOM 0 HA SER A 407 7.924 -24.624 9.567 1.00 0.00 H new ATOM 0 HB2 SER A 407 7.260 -22.299 8.914 1.00 0.00 H new ATOM 0 HB3 SER A 407 6.756 -22.889 7.342 1.00 0.00 H new ATOM 0 HG SER A 407 4.983 -22.715 8.824 1.00 0.00 H new ATOM 804 N TRP A 408 7.549 -25.500 6.423 1.00 0.00 N ATOM 805 CA TRP A 408 7.173 -26.547 5.516 1.00 0.00 C ATOM 806 C TRP A 408 8.095 -27.769 5.683 1.00 0.00 C ATOM 807 O TRP A 408 7.621 -28.887 5.822 1.00 0.00 O ATOM 808 CB TRP A 408 7.197 -25.978 4.087 1.00 0.00 C ATOM 809 CG TRP A 408 6.890 -26.938 2.988 1.00 0.00 C ATOM 810 CD1 TRP A 408 7.763 -27.391 2.061 1.00 0.00 C ATOM 811 CD2 TRP A 408 5.628 -27.556 2.686 1.00 0.00 C ATOM 812 NE1 TRP A 408 7.137 -28.243 1.202 1.00 0.00 N ATOM 813 CE2 TRP A 408 5.830 -28.370 1.559 1.00 0.00 C ATOM 814 CE3 TRP A 408 4.355 -27.502 3.255 1.00 0.00 C ATOM 815 CZ2 TRP A 408 4.811 -29.124 0.985 1.00 0.00 C ATOM 816 CZ3 TRP A 408 3.339 -28.250 2.685 1.00 0.00 C ATOM 817 CH2 TRP A 408 3.575 -29.053 1.561 1.00 0.00 C ATOM 0 H TRP A 408 7.990 -24.703 5.965 1.00 0.00 H new ATOM 0 HA TRP A 408 6.164 -26.899 5.733 1.00 0.00 H new ATOM 0 HB2 TRP A 408 6.482 -25.157 4.034 1.00 0.00 H new ATOM 0 HB3 TRP A 408 8.184 -25.553 3.904 1.00 0.00 H new ATOM 0 HD1 TRP A 408 8.806 -27.117 2.009 1.00 0.00 H new ATOM 0 HE1 TRP A 408 7.580 -28.713 0.413 1.00 0.00 H new ATOM 0 HE3 TRP A 408 4.166 -26.888 4.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 408 4.991 -29.742 0.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 408 2.348 -28.214 3.114 1.00 0.00 H new ATOM 0 HH2 TRP A 408 2.762 -29.628 1.142 1.00 0.00 H new ATOM 828 N GLN A 409 9.407 -27.535 5.727 1.00 0.00 N ATOM 829 CA GLN A 409 10.401 -28.612 5.863 1.00 0.00 C ATOM 830 C GLN A 409 10.262 -29.371 7.176 1.00 0.00 C ATOM 831 O GLN A 409 10.412 -30.587 7.202 1.00 0.00 O ATOM 832 CB GLN A 409 11.828 -28.098 5.709 1.00 0.00 C ATOM 833 CG GLN A 409 12.144 -27.527 4.343 1.00 0.00 C ATOM 834 CD GLN A 409 13.570 -27.055 4.249 1.00 0.00 C ATOM 835 OE1 GLN A 409 13.874 -25.912 4.562 1.00 0.00 O ATOM 836 NE2 GLN A 409 14.451 -27.913 3.810 1.00 0.00 N ATOM 0 H GLN A 409 9.814 -26.601 5.670 1.00 0.00 H new ATOM 0 HA GLN A 409 10.195 -29.307 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 409 12.007 -27.329 6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 409 12.520 -28.915 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 409 11.961 -28.285 3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 409 11.472 -26.695 4.133 1.00 0.00 H new ATOM 0 HE21 GLN A 409 14.161 -28.858 3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 409 15.429 -27.638 3.719 1.00 0.00 H new ATOM 845 N GLU A 410 9.985 -28.663 8.260 1.00 0.00 N ATOM 846 CA GLU A 410 9.771 -29.283 9.574 1.00 0.00 C ATOM 847 C GLU A 410 8.397 -29.959 9.683 1.00 0.00 C ATOM 848 O GLU A 410 8.012 -30.486 10.730 1.00 0.00 O ATOM 849 CB GLU A 410 10.002 -28.301 10.715 1.00 0.00 C ATOM 850 CG GLU A 410 11.446 -27.849 10.853 1.00 0.00 C ATOM 851 CD GLU A 410 11.720 -27.178 12.172 1.00 0.00 C ATOM 852 OE1 GLU A 410 12.009 -27.891 13.151 1.00 0.00 O ATOM 853 OE2 GLU A 410 11.680 -25.934 12.267 1.00 0.00 O ATOM 0 H GLU A 410 9.901 -27.646 8.262 1.00 0.00 H new ATOM 0 HA GLU A 410 10.521 -30.069 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 410 9.370 -27.426 10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 410 9.685 -28.764 11.650 1.00 0.00 H new ATOM 0 HG2 GLU A 410 12.104 -28.711 10.745 1.00 0.00 H new ATOM 0 HG3 GLU A 410 11.686 -27.161 10.043 1.00 0.00 H new ATOM 860 N SER A 411 7.674 -29.916 8.612 1.00 0.00 N ATOM 861 CA SER A 411 6.393 -30.544 8.479 1.00 0.00 C ATOM 862 C SER A 411 6.518 -31.568 7.336 1.00 0.00 C ATOM 863 O SER A 411 5.523 -32.061 6.805 1.00 0.00 O ATOM 864 CB SER A 411 5.342 -29.454 8.157 1.00 0.00 C ATOM 865 OG SER A 411 4.013 -29.960 8.122 1.00 0.00 O ATOM 0 H SER A 411 7.969 -29.423 7.769 1.00 0.00 H new ATOM 0 HA SER A 411 6.078 -31.052 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.405 -28.664 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.579 -29.001 7.194 1.00 0.00 H new ATOM 0 HG SER A 411 4.014 -30.854 7.721 1.00 0.00 H new ATOM 871 N GLU A 412 7.776 -31.885 7.007 1.00 0.00 N ATOM 872 CA GLU A 412 8.163 -32.681 5.856 1.00 0.00 C ATOM 873 C GLU A 412 7.951 -31.914 4.586 1.00 0.00 C ATOM 874 O GLU A 412 6.849 -31.853 4.039 1.00 0.00 O ATOM 875 CB GLU A 412 7.563 -34.099 5.812 1.00 0.00 C ATOM 876 CG GLU A 412 8.177 -35.057 6.825 1.00 0.00 C ATOM 877 CD GLU A 412 9.667 -35.264 6.601 1.00 0.00 C ATOM 878 OE1 GLU A 412 10.484 -34.484 7.150 1.00 0.00 O ATOM 879 OE2 GLU A 412 10.054 -36.216 5.880 1.00 0.00 O ATOM 0 H GLU A 412 8.576 -31.579 7.561 1.00 0.00 H new ATOM 0 HA GLU A 412 9.231 -32.868 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 412 6.490 -34.035 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 412 7.696 -34.509 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 412 8.014 -34.670 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 412 7.667 -36.019 6.767 1.00 0.00 H new ATOM 886 N GLY A 413 9.008 -31.288 4.151 1.00 0.00 N ATOM 887 CA GLY A 413 8.960 -30.469 2.986 1.00 0.00 C ATOM 888 C GLY A 413 9.108 -31.286 1.751 1.00 0.00 C ATOM 889 O GLY A 413 10.215 -31.449 1.236 1.00 0.00 O ATOM 0 H GLY A 413 9.924 -31.335 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 413 8.014 -29.928 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 413 9.753 -29.723 3.029 1.00 0.00 H new ATOM 893 N GLN A 414 8.016 -31.818 1.280 1.00 0.00 N ATOM 894 CA GLN A 414 8.027 -32.633 0.106 1.00 0.00 C ATOM 895 C GLN A 414 7.931 -31.739 -1.116 1.00 0.00 C ATOM 896 O GLN A 414 6.833 -31.473 -1.633 1.00 0.00 O ATOM 897 CB GLN A 414 6.888 -33.650 0.154 1.00 0.00 C ATOM 898 CG GLN A 414 6.969 -34.616 1.330 1.00 0.00 C ATOM 899 CD GLN A 414 5.792 -35.581 1.403 1.00 0.00 C ATOM 900 OE1 GLN A 414 4.628 -35.147 0.980 1.00 0.00 O flip ATOM 901 NE2 GLN A 414 5.935 -36.712 1.866 1.00 0.00 N flip ATOM 0 H GLN A 414 7.095 -31.697 1.701 1.00 0.00 H new ATOM 0 HA GLN A 414 8.959 -33.196 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 414 5.939 -33.116 0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 414 6.886 -34.222 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 414 7.894 -35.188 1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 414 7.019 -34.045 2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 414 6.853 -37.020 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 414 5.135 -37.342 1.929 1.00 0.00 H new ATOM 910 N GLY A 415 9.075 -31.212 -1.506 1.00 0.00 N ATOM 911 CA GLY A 415 9.159 -30.297 -2.603 1.00 0.00 C ATOM 912 C GLY A 415 8.947 -28.881 -2.118 1.00 0.00 C ATOM 913 O GLY A 415 8.585 -28.694 -0.969 1.00 0.00 O ATOM 0 H GLY A 415 9.971 -31.414 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 415 10.133 -30.383 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 415 8.410 -30.548 -3.354 1.00 0.00 H new ATOM 917 N CYS A 416 9.224 -27.881 -2.959 1.00 0.00 N ATOM 918 CA CYS A 416 8.975 -26.480 -2.605 1.00 0.00 C ATOM 919 C CYS A 416 7.513 -26.315 -2.180 1.00 0.00 C ATOM 920 O CYS A 416 6.639 -26.883 -2.805 1.00 0.00 O ATOM 921 CB CYS A 416 9.207 -25.564 -3.818 1.00 0.00 C ATOM 922 SG CYS A 416 10.844 -25.684 -4.647 1.00 0.00 S ATOM 0 H CYS A 416 9.620 -28.015 -3.889 1.00 0.00 H new ATOM 0 HA CYS A 416 9.655 -26.210 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 416 8.435 -25.778 -4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 416 9.064 -24.532 -3.497 1.00 0.00 H new ATOM 0 HG CYS A 416 10.680 -26.075 -5.876 1.00 0.00 H new ATOM 927 N PRO A 417 7.227 -25.497 -1.174 1.00 0.00 N ATOM 928 CA PRO A 417 5.846 -25.299 -0.670 1.00 0.00 C ATOM 929 C PRO A 417 4.876 -24.781 -1.760 1.00 0.00 C ATOM 930 O PRO A 417 3.661 -24.898 -1.634 1.00 0.00 O ATOM 931 CB PRO A 417 6.008 -24.270 0.455 1.00 0.00 C ATOM 932 CG PRO A 417 7.356 -23.667 0.245 1.00 0.00 C ATOM 933 CD PRO A 417 8.205 -24.710 -0.415 1.00 0.00 C ATOM 0 HA PRO A 417 5.404 -26.238 -0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 417 5.226 -23.512 0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 417 5.937 -24.743 1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 417 7.287 -22.775 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.793 -23.359 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 417 8.958 -24.265 -1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 417 8.735 -25.321 0.316 1.00 0.00 H new ATOM 941 N PHE A 418 5.435 -24.211 -2.818 1.00 0.00 N ATOM 942 CA PHE A 418 4.650 -23.742 -3.945 1.00 0.00 C ATOM 943 C PHE A 418 4.299 -24.878 -4.915 1.00 0.00 C ATOM 944 O PHE A 418 3.207 -25.429 -4.874 1.00 0.00 O ATOM 945 CB PHE A 418 5.385 -22.659 -4.734 1.00 0.00 C ATOM 946 CG PHE A 418 5.488 -21.311 -4.095 1.00 0.00 C ATOM 947 CD1 PHE A 418 6.513 -21.002 -3.227 1.00 0.00 C ATOM 948 CD2 PHE A 418 4.580 -20.324 -4.432 1.00 0.00 C ATOM 949 CE1 PHE A 418 6.630 -19.732 -2.708 1.00 0.00 C ATOM 950 CE2 PHE A 418 4.684 -19.063 -3.905 1.00 0.00 C ATOM 951 CZ PHE A 418 5.713 -18.763 -3.045 1.00 0.00 C ATOM 0 H PHE A 418 6.439 -24.062 -2.917 1.00 0.00 H new ATOM 0 HA PHE A 418 3.735 -23.333 -3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 418 6.394 -23.015 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 418 4.886 -22.542 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 418 7.230 -21.762 -2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 418 3.778 -20.550 -5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 418 7.442 -19.496 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 418 3.958 -18.306 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 418 5.802 -17.768 -2.634 1.00 0.00 H new ATOM 961 N CYS A 419 5.261 -25.254 -5.755 1.00 0.00 N ATOM 962 CA CYS A 419 4.999 -26.175 -6.843 1.00 0.00 C ATOM 963 C CYS A 419 5.356 -27.618 -6.463 1.00 0.00 C ATOM 964 O CYS A 419 5.036 -28.561 -7.192 1.00 0.00 O ATOM 965 CB CYS A 419 5.769 -25.712 -8.103 1.00 0.00 C ATOM 966 SG CYS A 419 5.247 -26.493 -9.680 1.00 0.00 S ATOM 0 H CYS A 419 6.227 -24.931 -5.698 1.00 0.00 H new ATOM 0 HA CYS A 419 3.931 -26.168 -7.059 1.00 0.00 H new ATOM 0 HB2 CYS A 419 5.658 -24.632 -8.199 1.00 0.00 H new ATOM 0 HB3 CYS A 419 6.830 -25.912 -7.953 1.00 0.00 H new ATOM 0 HG CYS A 419 5.964 -26.021 -10.656 1.00 0.00 H new ATOM 971 N ARG A 420 5.980 -27.782 -5.301 1.00 0.00 N ATOM 972 CA ARG A 420 6.410 -29.089 -4.795 1.00 0.00 C ATOM 973 C ARG A 420 7.446 -29.770 -5.682 1.00 0.00 C ATOM 974 O ARG A 420 7.537 -30.984 -5.752 1.00 0.00 O ATOM 975 CB ARG A 420 5.205 -29.960 -4.450 1.00 0.00 C ATOM 976 CG ARG A 420 4.537 -29.492 -3.168 1.00 0.00 C ATOM 977 CD ARG A 420 3.169 -30.085 -2.976 1.00 0.00 C ATOM 978 NE ARG A 420 2.190 -29.504 -3.908 1.00 0.00 N ATOM 979 CZ ARG A 420 0.870 -29.453 -3.707 1.00 0.00 C ATOM 980 NH1 ARG A 420 0.319 -30.106 -2.687 1.00 0.00 N ATOM 981 NH2 ARG A 420 0.103 -28.776 -4.551 1.00 0.00 N ATOM 0 H ARG A 420 6.205 -27.008 -4.676 1.00 0.00 H new ATOM 0 HA ARG A 420 6.947 -28.921 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 420 4.486 -29.932 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 420 5.522 -30.997 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 420 5.166 -29.757 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 420 4.459 -28.405 -3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 420 3.216 -31.164 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 420 2.840 -29.917 -1.951 1.00 0.00 H new ATOM 0 HE ARG A 420 2.548 -29.108 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 420 0.905 -30.649 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 420 -0.689 -30.063 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 420 0.521 -28.298 -5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 420 -0.905 -28.734 -4.402 1.00 0.00 H new ATOM 995 N CYS A 421 8.261 -28.948 -6.292 1.00 0.00 N ATOM 996 CA CYS A 421 9.385 -29.369 -7.088 1.00 0.00 C ATOM 997 C CYS A 421 10.606 -29.568 -6.170 1.00 0.00 C ATOM 998 O CYS A 421 10.557 -29.162 -5.012 1.00 0.00 O ATOM 999 CB CYS A 421 9.644 -28.248 -8.050 1.00 0.00 C ATOM 1000 SG CYS A 421 9.582 -26.620 -7.197 1.00 0.00 S ATOM 0 H CYS A 421 8.157 -27.934 -6.247 1.00 0.00 H new ATOM 0 HA CYS A 421 9.195 -30.307 -7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 421 10.621 -28.382 -8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 421 8.904 -28.272 -8.850 1.00 0.00 H new ATOM 0 HG CYS A 421 10.726 -26.017 -7.330 1.00 0.00 H new ATOM 1005 N GLU A 422 11.688 -30.101 -6.723 1.00 0.00 N ATOM 1006 CA GLU A 422 12.943 -30.438 -5.992 1.00 0.00 C ATOM 1007 C GLU A 422 13.434 -29.401 -4.963 1.00 0.00 C ATOM 1008 O GLU A 422 13.428 -28.182 -5.210 1.00 0.00 O ATOM 1009 CB GLU A 422 14.091 -30.656 -6.976 1.00 0.00 C ATOM 1010 CG GLU A 422 13.962 -31.859 -7.876 1.00 0.00 C ATOM 1011 CD GLU A 422 15.167 -32.005 -8.766 1.00 0.00 C ATOM 1012 OE1 GLU A 422 15.213 -31.369 -9.837 1.00 0.00 O ATOM 1013 OE2 GLU A 422 16.110 -32.733 -8.385 1.00 0.00 O ATOM 0 H GLU A 422 11.737 -30.324 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 422 12.672 -31.336 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 422 14.184 -29.767 -7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 422 15.018 -30.747 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 422 13.842 -32.758 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 422 13.064 -31.765 -8.487 1.00 0.00 H new ATOM 1020 N ILE A 423 13.848 -29.924 -3.819 1.00 0.00 N ATOM 1021 CA ILE A 423 14.587 -29.195 -2.807 1.00 0.00 C ATOM 1022 C ILE A 423 15.851 -30.002 -2.540 1.00 0.00 C ATOM 1023 O ILE A 423 15.780 -31.093 -1.961 1.00 0.00 O ATOM 1024 CB ILE A 423 13.830 -29.033 -1.446 1.00 0.00 C ATOM 1025 CG1 ILE A 423 12.520 -28.255 -1.601 1.00 0.00 C ATOM 1026 CG2 ILE A 423 14.733 -28.345 -0.409 1.00 0.00 C ATOM 1027 CD1 ILE A 423 11.777 -28.056 -0.286 1.00 0.00 C ATOM 0 H ILE A 423 13.672 -30.896 -3.564 1.00 0.00 H new ATOM 0 HA ILE A 423 14.764 -28.187 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 423 13.577 -30.034 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 423 12.734 -27.281 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 423 11.872 -28.784 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 423 14.192 -28.240 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 423 15.627 -28.948 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 423 15.021 -27.359 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 423 10.859 -27.498 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 423 11.532 -29.027 0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 423 12.408 -27.500 0.408 1.00 0.00 H new ATOM 1039 N LYS A 424 16.973 -29.523 -2.999 1.00 0.00 N ATOM 1040 CA LYS A 424 18.225 -30.224 -2.791 1.00 0.00 C ATOM 1041 C LYS A 424 19.123 -29.398 -1.886 1.00 0.00 C ATOM 1042 O LYS A 424 19.625 -29.880 -0.874 1.00 0.00 O ATOM 1043 CB LYS A 424 18.904 -30.498 -4.145 1.00 0.00 C ATOM 1044 CG LYS A 424 20.208 -31.300 -4.086 1.00 0.00 C ATOM 1045 CD LYS A 424 20.021 -32.713 -3.519 1.00 0.00 C ATOM 1046 CE LYS A 424 19.080 -33.582 -4.362 1.00 0.00 C ATOM 1047 NZ LYS A 424 19.562 -33.779 -5.748 1.00 0.00 N ATOM 0 H LYS A 424 17.054 -28.650 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 424 18.035 -31.183 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 424 18.199 -31.032 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 424 19.109 -29.542 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 424 20.630 -31.370 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 424 20.931 -30.762 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 424 20.993 -33.202 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 424 19.628 -32.642 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 424 18.964 -34.554 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 424 18.093 -33.120 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 18.932 -34.441 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 19.567 -32.866 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 20.526 -34.168 -5.728 1.00 0.00 H new ATOM 1061 N GLY A 425 19.286 -28.152 -2.238 1.00 0.00 N ATOM 1062 CA GLY A 425 20.111 -27.266 -1.472 1.00 0.00 C ATOM 1063 C GLY A 425 19.387 -25.979 -1.196 1.00 0.00 C ATOM 1064 O GLY A 425 18.304 -25.754 -1.732 1.00 0.00 O ATOM 0 H GLY A 425 18.853 -27.727 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 425 20.390 -27.742 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 425 21.035 -27.061 -2.013 1.00 0.00 H new ATOM 1068 N THR A 426 19.961 -25.148 -0.381 1.00 0.00 N ATOM 1069 CA THR A 426 19.376 -23.884 0.001 1.00 0.00 C ATOM 1070 C THR A 426 20.465 -22.834 0.208 1.00 0.00 C ATOM 1071 O THR A 426 21.449 -23.088 0.904 1.00 0.00 O ATOM 1072 CB THR A 426 18.533 -24.041 1.299 1.00 0.00 C ATOM 1073 OG1 THR A 426 19.192 -24.950 2.221 1.00 0.00 O ATOM 1074 CG2 THR A 426 17.124 -24.537 0.997 1.00 0.00 C ATOM 0 H THR A 426 20.868 -25.326 0.050 1.00 0.00 H new ATOM 0 HA THR A 426 18.718 -23.555 -0.804 1.00 0.00 H new ATOM 0 HB THR A 426 18.451 -23.057 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 426 18.653 -25.039 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 426 16.565 -24.634 1.928 1.00 0.00 H new ATOM 0 HG22 THR A 426 16.620 -23.825 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 426 17.178 -25.507 0.503 1.00 0.00 H new ATOM 1082 N GLU A 427 20.314 -21.691 -0.409 1.00 0.00 N ATOM 1083 CA GLU A 427 21.265 -20.607 -0.248 1.00 0.00 C ATOM 1084 C GLU A 427 20.551 -19.336 0.152 1.00 0.00 C ATOM 1085 O GLU A 427 19.417 -19.121 -0.254 1.00 0.00 O ATOM 1086 CB GLU A 427 22.073 -20.358 -1.523 1.00 0.00 C ATOM 1087 CG GLU A 427 23.065 -21.445 -1.857 1.00 0.00 C ATOM 1088 CD GLU A 427 23.947 -21.060 -3.005 1.00 0.00 C ATOM 1089 OE1 GLU A 427 24.892 -20.269 -2.802 1.00 0.00 O ATOM 1090 OE2 GLU A 427 23.727 -21.541 -4.132 1.00 0.00 O ATOM 0 H GLU A 427 19.536 -21.480 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 427 21.959 -20.904 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 427 21.383 -20.244 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 427 22.608 -19.414 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 427 23.679 -21.658 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 427 22.530 -22.363 -2.102 1.00 0.00 H new ATOM 1097 N PRO A 428 21.179 -18.500 0.984 1.00 0.00 N ATOM 1098 CA PRO A 428 20.609 -17.216 1.378 1.00 0.00 C ATOM 1099 C PRO A 428 20.533 -16.229 0.208 1.00 0.00 C ATOM 1100 O PRO A 428 21.345 -16.275 -0.730 1.00 0.00 O ATOM 1101 CB PRO A 428 21.589 -16.688 2.432 1.00 0.00 C ATOM 1102 CG PRO A 428 22.865 -17.402 2.170 1.00 0.00 C ATOM 1103 CD PRO A 428 22.484 -18.748 1.634 1.00 0.00 C ATOM 0 HA PRO A 428 19.587 -17.329 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 428 21.717 -15.609 2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 428 21.227 -16.886 3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 428 23.477 -16.856 1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 428 23.453 -17.498 3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 428 23.222 -19.122 0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 428 22.403 -19.489 2.429 1.00 0.00 H new ATOM 1111 N ILE A 429 19.557 -15.367 0.256 1.00 0.00 N ATOM 1112 CA ILE A 429 19.396 -14.320 -0.725 1.00 0.00 C ATOM 1113 C ILE A 429 19.653 -12.994 0.008 1.00 0.00 C ATOM 1114 O ILE A 429 19.728 -12.980 1.249 1.00 0.00 O ATOM 1115 CB ILE A 429 17.946 -14.334 -1.351 1.00 0.00 C ATOM 1116 CG1 ILE A 429 17.576 -15.737 -1.828 1.00 0.00 C ATOM 1117 CG2 ILE A 429 17.837 -13.374 -2.537 1.00 0.00 C ATOM 1118 CD1 ILE A 429 16.183 -15.830 -2.427 1.00 0.00 C ATOM 0 H ILE A 429 18.841 -15.368 0.983 1.00 0.00 H new ATOM 0 HA ILE A 429 20.092 -14.460 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 429 17.260 -14.014 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 429 18.304 -16.062 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 429 17.648 -16.428 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 429 16.826 -13.410 -2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 429 18.059 -12.360 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 429 18.548 -13.667 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 429 15.991 -16.855 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 429 15.445 -15.536 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 429 16.112 -15.165 -3.288 1.00 0.00 H new ATOM 1130 N VAL A 430 19.808 -11.921 -0.722 1.00 0.00 N ATOM 1131 CA VAL A 430 20.055 -10.631 -0.151 1.00 0.00 C ATOM 1132 C VAL A 430 19.225 -9.579 -0.896 1.00 0.00 C ATOM 1133 O VAL A 430 19.509 -9.202 -2.033 1.00 0.00 O ATOM 1134 CB VAL A 430 21.590 -10.275 -0.100 1.00 0.00 C ATOM 1135 CG1 VAL A 430 22.262 -10.358 -1.472 1.00 0.00 C ATOM 1136 CG2 VAL A 430 21.816 -8.906 0.539 1.00 0.00 C ATOM 0 H VAL A 430 19.765 -11.922 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 430 19.737 -10.645 0.892 1.00 0.00 H new ATOM 0 HB VAL A 430 22.064 -11.031 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 430 23.317 -10.103 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 430 22.168 -11.371 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 430 21.780 -9.659 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 430 22.883 -8.687 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 430 21.301 -8.143 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 430 21.425 -8.911 1.557 1.00 0.00 H new ATOM 1146 N VAL A 431 18.144 -9.203 -0.280 1.00 0.00 N ATOM 1147 CA VAL A 431 17.218 -8.225 -0.832 1.00 0.00 C ATOM 1148 C VAL A 431 16.951 -7.108 0.164 1.00 0.00 C ATOM 1149 O VAL A 431 16.014 -6.325 0.007 1.00 0.00 O ATOM 1150 CB VAL A 431 15.872 -8.886 -1.279 1.00 0.00 C ATOM 1151 CG1 VAL A 431 16.031 -9.589 -2.620 1.00 0.00 C ATOM 1152 CG2 VAL A 431 15.418 -9.900 -0.247 1.00 0.00 C ATOM 0 H VAL A 431 17.865 -9.564 0.632 1.00 0.00 H new ATOM 0 HA VAL A 431 17.691 -7.800 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 431 15.129 -8.095 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 431 15.082 -10.040 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 431 16.334 -8.865 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 431 16.791 -10.365 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 431 14.480 -10.353 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 431 16.177 -10.675 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 431 15.270 -9.402 0.711 1.00 0.00 H new ATOM 1162 N ASP A 432 17.791 -7.031 1.179 1.00 0.00 N ATOM 1163 CA ASP A 432 17.686 -5.993 2.211 1.00 0.00 C ATOM 1164 C ASP A 432 18.186 -4.650 1.689 1.00 0.00 C ATOM 1165 O ASP A 432 19.359 -4.527 1.344 1.00 0.00 O ATOM 1166 CB ASP A 432 18.520 -6.347 3.471 1.00 0.00 C ATOM 1167 CG ASP A 432 17.939 -7.445 4.333 1.00 0.00 C ATOM 1168 OD1 ASP A 432 18.135 -8.630 4.028 1.00 0.00 O ATOM 1169 OD2 ASP A 432 17.299 -7.139 5.362 1.00 0.00 O ATOM 0 H ASP A 432 18.566 -7.679 1.319 1.00 0.00 H new ATOM 0 HA ASP A 432 16.630 -5.931 2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 432 19.520 -6.644 3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 432 18.632 -5.449 4.079 1.00 0.00 H new ATOM 1174 N PRO A 433 17.324 -3.604 1.642 1.00 0.00 N ATOM 1175 CA PRO A 433 17.734 -2.227 1.260 1.00 0.00 C ATOM 1176 C PRO A 433 18.538 -1.538 2.397 1.00 0.00 C ATOM 1177 O PRO A 433 18.462 -0.320 2.599 1.00 0.00 O ATOM 1178 CB PRO A 433 16.392 -1.497 1.052 1.00 0.00 C ATOM 1179 CG PRO A 433 15.352 -2.565 1.040 1.00 0.00 C ATOM 1180 CD PRO A 433 15.879 -3.663 1.906 1.00 0.00 C ATOM 0 HA PRO A 433 18.380 -2.217 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 433 16.208 -0.780 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 433 16.391 -0.938 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 433 14.402 -2.189 1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 433 15.170 -2.921 0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 433 15.651 -3.496 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 433 15.456 -4.631 1.638 1.00 0.00 H new ATOM 1188 N PHE A 434 19.327 -2.333 3.096 1.00 0.00 N ATOM 1189 CA PHE A 434 20.160 -1.888 4.193 1.00 0.00 C ATOM 1190 C PHE A 434 21.358 -1.149 3.630 1.00 0.00 C ATOM 1191 O PHE A 434 21.695 -0.054 4.067 1.00 0.00 O ATOM 1192 CB PHE A 434 20.618 -3.113 5.010 1.00 0.00 C ATOM 1193 CG PHE A 434 21.435 -2.800 6.239 1.00 0.00 C ATOM 1194 CD1 PHE A 434 20.816 -2.521 7.445 1.00 0.00 C ATOM 1195 CD2 PHE A 434 22.823 -2.805 6.191 1.00 0.00 C ATOM 1196 CE1 PHE A 434 21.559 -2.253 8.577 1.00 0.00 C ATOM 1197 CE2 PHE A 434 23.570 -2.535 7.317 1.00 0.00 C ATOM 1198 CZ PHE A 434 22.939 -2.259 8.513 1.00 0.00 C ATOM 0 H PHE A 434 19.407 -3.333 2.910 1.00 0.00 H new ATOM 0 HA PHE A 434 19.602 -1.218 4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 434 19.736 -3.676 5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 434 21.204 -3.764 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 434 19.737 -2.513 7.501 1.00 0.00 H new ATOM 0 HD2 PHE A 434 23.323 -3.023 5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 434 21.062 -2.039 9.512 1.00 0.00 H new ATOM 0 HE2 PHE A 434 24.649 -2.539 7.264 1.00 0.00 H new ATOM 0 HZ PHE A 434 23.523 -2.048 9.397 1.00 0.00 H new ATOM 1208 N ASP A 435 21.967 -1.738 2.632 1.00 0.00 N ATOM 1209 CA ASP A 435 23.122 -1.150 1.980 1.00 0.00 C ATOM 1210 C ASP A 435 22.875 -1.126 0.477 1.00 0.00 C ATOM 1211 O ASP A 435 23.209 -2.069 -0.221 1.00 0.00 O ATOM 1212 CB ASP A 435 24.401 -1.952 2.312 1.00 0.00 C ATOM 1213 CG ASP A 435 25.668 -1.349 1.732 1.00 0.00 C ATOM 1214 OD1 ASP A 435 26.036 -1.666 0.594 1.00 0.00 O ATOM 1215 OD2 ASP A 435 26.335 -0.553 2.429 1.00 0.00 O ATOM 0 H ASP A 435 21.681 -2.637 2.245 1.00 0.00 H new ATOM 0 HA ASP A 435 23.269 -0.132 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 435 24.505 -2.021 3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 435 24.289 -2.969 1.937 1.00 0.00 H new ATOM 1220 N PRO A 436 22.145 -0.114 -0.023 1.00 0.00 N ATOM 1221 CA PRO A 436 21.844 0.021 -1.434 1.00 0.00 C ATOM 1222 C PRO A 436 22.578 1.204 -2.090 1.00 0.00 C ATOM 1223 O PRO A 436 22.149 1.715 -3.135 1.00 0.00 O ATOM 1224 CB PRO A 436 20.349 0.322 -1.366 1.00 0.00 C ATOM 1225 CG PRO A 436 20.175 1.124 -0.090 1.00 0.00 C ATOM 1226 CD PRO A 436 21.435 0.919 0.739 1.00 0.00 C ATOM 0 HA PRO A 436 22.137 -0.848 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 436 20.019 0.888 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 436 19.761 -0.596 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 436 20.029 2.180 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 436 19.294 0.790 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 436 22.019 1.835 0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 436 21.206 0.591 1.753 1.00 0.00 H new ATOM 1234 N ARG A 437 23.665 1.643 -1.492 1.00 0.00 N ATOM 1235 CA ARG A 437 24.402 2.794 -2.011 1.00 0.00 C ATOM 1236 C ARG A 437 25.871 2.723 -1.629 1.00 0.00 C ATOM 1237 O ARG A 437 26.323 1.689 -1.088 1.00 0.00 O ATOM 1238 CB ARG A 437 23.781 4.113 -1.527 1.00 0.00 C ATOM 1239 CG ARG A 437 23.820 4.335 -0.016 1.00 0.00 C ATOM 1240 CD ARG A 437 23.266 5.705 0.349 1.00 0.00 C ATOM 1241 NE ARG A 437 21.860 5.872 -0.054 1.00 0.00 N ATOM 1242 CZ ARG A 437 21.394 6.842 -0.864 1.00 0.00 C ATOM 1243 NH1 ARG A 437 22.237 7.667 -1.490 1.00 0.00 N ATOM 1244 NH2 ARG A 437 20.094 6.972 -1.058 1.00 0.00 N ATOM 0 H ARG A 437 24.063 1.228 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 437 24.333 2.765 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 437 24.299 4.940 -2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 437 22.743 4.150 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 437 23.240 3.559 0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 437 24.846 4.247 0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 437 23.352 5.853 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 437 23.871 6.476 -0.128 1.00 0.00 H new ATOM 0 HE ARG A 437 21.185 5.199 0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 437 23.243 7.566 -1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 437 21.875 8.399 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 437 19.443 6.338 -0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 437 19.741 7.706 -1.671 1.00 0.00 H new TER 1258 ARG A 437 HETATM 1259 ZN ZN A 500 7.259 -16.596 3.602 1.00 0.00 ZN HETATM 1260 ZN ZN A 600 10.987 -25.789 -6.431 1.00 0.00 ZN