USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 385 hydrogens (8 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 NoAdj-H: B 204 SEP H2 : B 204 SEP N : B 203 GLY C :(H bumps) USER MOD NoAdj-H: B 204 SEP H : B 204 SEP N : B 203 GLY C :(H bumps) USER MOD NoAdj-H: B 208 SEP H2 : B 208 SEP N : B 207 LEU C :(H bumps) USER MOD Set 1.1: A 499 ASN : amide:sc= 0.758 K(o=2.6,f=-10!) USER MOD Set 1.2: A 511 LYS NZ :NH3+ 166:sc= 1.88 (180deg=-0.357) USER MOD Single : A 476 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.59) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 485 MET CE :methyl -163:sc= -0.233 (180deg=-0.775) USER MOD Single : A 490 ASN : amide:sc= -6.09! C(o=-6.1!,f=-13!) USER MOD Single : A 496 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 498 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-7.1!) USER MOD Single : A 500 THR OG1 : rot -35:sc= 0.432 USER MOD Single : A 501 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0299) USER MOD Single : A 502 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 503 THR OG1 : rot 44:sc= 0.0537 USER MOD Single : A 504 THR OG1 : rot 170:sc= 0.108 USER MOD Single : A 515 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.5!) USER MOD Single : B 206 ASN : amide:sc= 0.495 K(o=0.5,f=-0.62) USER MOD Single : B 210 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 476 -7.545 -2.546 7.455 1.00 15.00 N ATOM 2 CA GLN A 476 -7.989 -1.389 6.649 1.00 15.00 C ATOM 3 C GLN A 476 -9.409 -1.585 6.171 1.00 15.00 C ATOM 4 O GLN A 476 -9.901 -2.707 6.078 1.00 15.00 O ATOM 5 CB GLN A 476 -7.072 -1.183 5.448 1.00 15.00 C ATOM 6 CG GLN A 476 -5.674 -0.757 5.837 1.00 15.00 C ATOM 7 CD GLN A 476 -5.615 0.664 6.360 1.00 15.00 C ATOM 8 OE1 GLN A 476 -5.445 1.610 5.595 1.00 15.00 O ATOM 9 NE2 GLN A 476 -5.730 0.821 7.667 1.00 15.00 N ATOM 0 HA GLN A 476 -7.946 -0.505 7.285 1.00 15.00 H new ATOM 0 HB2 GLN A 476 -7.018 -2.110 4.877 1.00 15.00 H new ATOM 0 HB3 GLN A 476 -7.506 -0.429 4.792 1.00 15.00 H new ATOM 0 HG2 GLN A 476 -5.292 -1.436 6.599 1.00 15.00 H new ATOM 0 HG3 GLN A 476 -5.018 -0.848 4.971 1.00 15.00 H new ATOM 0 HE21 GLN A 476 -5.870 0.009 8.268 1.00 15.00 H new ATOM 0 HE22 GLN A 476 -5.678 1.754 8.075 1.00 15.00 H new ATOM 18 N SER A 477 -10.047 -0.484 5.839 1.00 15.00 N ATOM 19 CA SER A 477 -11.465 -0.497 5.494 1.00 15.00 C ATOM 20 C SER A 477 -11.702 -0.333 3.991 1.00 15.00 C ATOM 21 O SER A 477 -12.807 -0.572 3.503 1.00 15.00 O ATOM 22 CB SER A 477 -12.190 0.611 6.260 1.00 15.00 C ATOM 23 OG SER A 477 -11.880 0.555 7.643 1.00 15.00 O ATOM 0 H SER A 477 -9.611 0.437 5.799 1.00 15.00 H new ATOM 0 HA SER A 477 -11.862 -1.471 5.778 1.00 15.00 H new ATOM 0 HB2 SER A 477 -11.905 1.583 5.858 1.00 15.00 H new ATOM 0 HB3 SER A 477 -13.266 0.511 6.120 1.00 15.00 H new ATOM 0 HG SER A 477 -12.353 1.273 8.114 1.00 15.00 H new ATOM 29 N PHE A 478 -10.682 0.104 3.260 1.00 15.00 N ATOM 30 CA PHE A 478 -10.836 0.339 1.817 1.00 15.00 C ATOM 31 C PHE A 478 -10.430 -1.000 1.257 1.00 15.00 C ATOM 32 O PHE A 478 -10.864 -1.480 0.213 1.00 15.00 O ATOM 33 CB PHE A 478 -9.698 1.131 1.163 1.00 15.00 C ATOM 34 CG PHE A 478 -8.963 2.038 2.063 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.543 2.656 3.153 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.586 2.074 1.920 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.744 3.313 4.057 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.819 2.670 2.825 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.373 3.286 3.877 1.00 15.00 C ATOM 0 H PHE A 478 -9.752 0.302 3.629 1.00 15.00 H new ATOM 0 HA PHE A 478 -11.809 0.803 1.657 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -8.990 0.426 0.728 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.111 1.717 0.341 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.613 2.623 3.293 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.129 1.610 1.059 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.179 3.841 4.893 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.745 2.658 2.712 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.735 3.772 4.601 1.00 15.00 H new ATOM 49 N LEU A 479 -9.491 -1.525 2.043 1.00 15.00 N ATOM 50 CA LEU A 479 -8.248 -2.049 1.549 1.00 15.00 C ATOM 51 C LEU A 479 -7.975 -3.447 2.126 1.00 15.00 C ATOM 52 O LEU A 479 -8.309 -3.719 3.280 1.00 15.00 O ATOM 53 CB LEU A 479 -7.170 -0.950 1.883 1.00 15.00 C ATOM 54 CG LEU A 479 -5.824 -1.066 1.177 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.922 -0.403 -0.174 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.712 -0.402 1.963 1.00 15.00 C ATOM 0 H LEU A 479 -9.588 -1.593 3.056 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.244 -2.225 0.473 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.595 0.025 1.645 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.991 -0.966 2.958 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.586 -2.125 1.081 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.964 -0.480 -0.688 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.692 -0.897 -0.767 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.181 0.648 -0.046 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.771 -0.509 1.423 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.939 0.656 2.091 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.625 -0.875 2.941 1.00 15.00 H new ATOM 68 N PRO A 480 -7.346 -4.332 1.321 1.00 15.00 N ATOM 69 CA PRO A 480 -7.158 -5.763 1.658 1.00 15.00 C ATOM 70 C PRO A 480 -6.351 -5.983 2.955 1.00 15.00 C ATOM 71 O PRO A 480 -5.762 -5.048 3.498 1.00 15.00 O ATOM 72 CB PRO A 480 -6.355 -6.320 0.469 1.00 15.00 C ATOM 73 CG PRO A 480 -6.299 -5.262 -0.582 1.00 15.00 C ATOM 74 CD PRO A 480 -6.767 -3.972 0.020 1.00 15.00 C ATOM 0 HA PRO A 480 -8.120 -6.247 1.825 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.349 -6.598 0.784 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.827 -7.221 0.078 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.282 -5.157 -0.961 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -6.928 -5.535 -1.429 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.940 -3.272 0.139 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.506 -3.487 -0.618 1.00 15.00 H new ATOM 82 N PRO A 481 -6.289 -7.239 3.453 1.00 15.00 N ATOM 83 CA PRO A 481 -5.513 -7.608 4.657 1.00 15.00 C ATOM 84 C PRO A 481 -3.996 -7.720 4.403 1.00 15.00 C ATOM 85 O PRO A 481 -3.311 -8.536 5.022 1.00 15.00 O ATOM 86 CB PRO A 481 -6.081 -8.988 5.040 1.00 15.00 C ATOM 87 CG PRO A 481 -7.268 -9.202 4.161 1.00 15.00 C ATOM 88 CD PRO A 481 -7.015 -8.400 2.925 1.00 15.00 C ATOM 0 HA PRO A 481 -5.609 -6.846 5.431 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.338 -9.771 4.890 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.365 -9.015 6.092 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.391 -10.258 3.922 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.184 -8.878 4.656 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.424 -8.953 2.195 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.942 -8.110 2.431 1.00 15.00 H new ATOM 96 N GLY A 482 -3.475 -6.871 3.528 1.00 15.00 N ATOM 97 CA GLY A 482 -2.048 -6.840 3.239 1.00 15.00 C ATOM 98 C GLY A 482 -1.500 -5.499 3.564 1.00 15.00 C ATOM 99 O GLY A 482 -0.328 -5.250 3.411 1.00 15.00 O ATOM 0 H GLY A 482 -4.024 -6.190 3.003 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.533 -7.605 3.820 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.875 -7.069 2.187 1.00 15.00 H new ATOM 103 N TRP A 483 -2.355 -4.626 4.009 1.00 15.00 N ATOM 104 CA TRP A 483 -2.208 -3.272 3.584 1.00 15.00 C ATOM 105 C TRP A 483 -2.162 -2.241 4.674 1.00 15.00 C ATOM 106 O TRP A 483 -2.870 -2.290 5.678 1.00 15.00 O ATOM 107 CB TRP A 483 -3.311 -3.007 2.590 1.00 15.00 C ATOM 108 CG TRP A 483 -3.196 -3.953 1.452 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.878 -5.095 1.245 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.265 -3.887 0.410 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.420 -5.729 0.133 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.458 -5.008 -0.388 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.301 -2.997 0.060 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.747 -5.275 -1.488 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.569 -3.260 -1.052 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.786 -4.392 -1.827 1.00 15.00 C ATOM 0 H TRP A 483 -3.132 -4.818 4.642 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.220 -3.166 3.135 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.282 -3.119 3.072 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.250 -1.980 2.230 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.677 -5.457 1.874 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.766 -6.616 -0.234 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.123 -2.109 0.648 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.934 -6.159 -2.079 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.207 -2.567 -1.344 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.182 -4.566 -2.705 1.00 15.00 H new ATOM 127 N GLU A 484 -1.291 -1.301 4.402 1.00 15.00 N ATOM 128 CA GLU A 484 -1.104 -0.110 5.199 1.00 15.00 C ATOM 129 C GLU A 484 -1.152 1.071 4.250 1.00 15.00 C ATOM 130 O GLU A 484 -0.221 1.277 3.469 1.00 15.00 O ATOM 131 CB GLU A 484 0.253 -0.177 5.915 1.00 15.00 C ATOM 132 CG GLU A 484 0.600 0.998 6.819 1.00 15.00 C ATOM 133 CD GLU A 484 -0.514 1.417 7.758 1.00 15.00 C ATOM 134 OE1 GLU A 484 -1.240 0.541 8.264 1.00 15.00 O ATOM 135 OE2 GLU A 484 -0.645 2.633 8.017 1.00 15.00 O ATOM 0 H GLU A 484 -0.671 -1.344 3.593 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.878 -0.015 5.961 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.279 -1.088 6.513 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.034 -0.269 5.160 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.478 0.739 7.410 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.874 1.850 6.197 1.00 15.00 H new ATOM 142 N MET A 485 -2.248 1.807 4.264 1.00 15.00 N ATOM 143 CA MET A 485 -2.390 2.928 3.360 1.00 15.00 C ATOM 144 C MET A 485 -1.843 4.157 4.027 1.00 15.00 C ATOM 145 O MET A 485 -2.411 4.656 4.999 1.00 15.00 O ATOM 146 CB MET A 485 -3.840 3.162 2.976 1.00 15.00 C ATOM 147 CG MET A 485 -4.034 4.162 1.835 1.00 15.00 C ATOM 148 SD MET A 485 -3.741 5.885 2.302 1.00 15.00 S ATOM 149 CE MET A 485 -5.006 6.130 3.549 1.00 15.00 C ATOM 0 H MET A 485 -3.043 1.650 4.884 1.00 15.00 H new ATOM 0 HA MET A 485 -1.838 2.706 2.446 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.286 2.210 2.689 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.383 3.517 3.852 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.362 3.899 1.018 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.051 4.068 1.454 1.00 15.00 H new ATOM 0 HE1 MET A 485 -5.154 7.197 3.712 1.00 15.00 H new ATOM 0 HE2 MET A 485 -5.940 5.681 3.213 1.00 15.00 H new ATOM 0 HE3 MET A 485 -4.693 5.661 4.482 1.00 15.00 H new ATOM 159 N ARG A 486 -0.720 4.620 3.543 1.00 15.00 N ATOM 160 CA ARG A 486 -0.131 5.806 4.093 1.00 15.00 C ATOM 161 C ARG A 486 0.068 6.833 3.011 1.00 15.00 C ATOM 162 O ARG A 486 0.805 6.620 2.062 1.00 15.00 O ATOM 163 CB ARG A 486 1.183 5.492 4.798 1.00 15.00 C ATOM 164 CG ARG A 486 1.024 4.451 5.888 1.00 15.00 C ATOM 165 CD ARG A 486 2.302 4.246 6.675 1.00 15.00 C ATOM 166 NE ARG A 486 2.584 5.348 7.595 1.00 15.00 N ATOM 167 CZ ARG A 486 1.984 5.504 8.776 1.00 15.00 C ATOM 168 NH1 ARG A 486 0.988 4.698 9.140 1.00 15.00 N ATOM 169 NH2 ARG A 486 2.373 6.474 9.592 1.00 15.00 N ATOM 0 H ARG A 486 -0.200 4.196 2.775 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.812 6.215 4.839 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.909 5.138 4.066 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.587 6.407 5.231 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.227 4.756 6.566 1.00 15.00 H new ATOM 0 HG3 ARG A 486 0.718 3.505 5.442 1.00 15.00 H new ATOM 0 HD2 ARG A 486 2.230 3.316 7.240 1.00 15.00 H new ATOM 0 HD3 ARG A 486 3.136 4.135 5.982 1.00 15.00 H new ATOM 0 HE ARG A 486 3.281 6.038 7.317 1.00 15.00 H new ATOM 0 HH11 ARG A 486 0.679 3.955 8.514 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.535 4.824 10.045 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.130 7.100 9.316 1.00 15.00 H new ATOM 0 HH22 ARG A 486 1.915 6.595 10.495 1.00 15.00 H new ATOM 183 N ILE A 487 -0.640 7.923 3.161 1.00 15.00 N ATOM 184 CA ILE A 487 -0.435 9.101 2.358 1.00 15.00 C ATOM 185 C ILE A 487 0.582 9.941 3.066 1.00 15.00 C ATOM 186 O ILE A 487 0.372 10.435 4.174 1.00 15.00 O ATOM 187 CB ILE A 487 -1.752 9.835 2.095 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.479 11.235 1.506 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.610 9.864 3.347 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.682 12.157 1.512 1.00 15.00 C ATOM 0 H ILE A 487 -1.384 8.019 3.852 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.062 8.844 1.367 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.327 9.291 1.346 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.673 11.704 2.071 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.126 11.123 0.481 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.541 10.390 3.138 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.832 8.844 3.660 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.073 10.379 4.144 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.405 13.119 1.082 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.484 11.713 0.922 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.024 12.303 2.537 1.00 15.00 H new ATOM 202 N ALA A 488 1.711 10.054 2.409 1.00 15.00 N ATOM 203 CA ALA A 488 2.910 10.513 3.033 1.00 15.00 C ATOM 204 C ALA A 488 2.980 12.019 2.921 1.00 15.00 C ATOM 205 O ALA A 488 2.433 12.581 1.974 1.00 15.00 O ATOM 206 CB ALA A 488 4.121 9.903 2.367 1.00 15.00 C ATOM 0 H ALA A 488 1.815 9.826 1.420 1.00 15.00 H new ATOM 0 HA ALA A 488 2.901 10.215 4.081 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.026 10.264 2.856 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.073 8.817 2.449 1.00 15.00 H new ATOM 0 HB3 ALA A 488 4.139 10.187 1.315 1.00 15.00 H new ATOM 212 N PRO A 489 3.621 12.698 3.882 1.00 15.00 N ATOM 213 CA PRO A 489 3.698 14.168 3.911 1.00 15.00 C ATOM 214 C PRO A 489 4.351 14.799 2.669 1.00 15.00 C ATOM 215 O PRO A 489 4.567 16.012 2.634 1.00 15.00 O ATOM 216 CB PRO A 489 4.537 14.468 5.162 1.00 15.00 C ATOM 217 CG PRO A 489 5.218 13.187 5.501 1.00 15.00 C ATOM 218 CD PRO A 489 4.303 12.093 5.037 1.00 15.00 C ATOM 0 HA PRO A 489 2.696 14.597 3.925 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.262 15.259 4.968 1.00 15.00 H new ATOM 0 HB3 PRO A 489 3.908 14.808 5.985 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.188 13.119 5.008 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.400 13.114 6.573 1.00 15.00 H new ATOM 0 HD2 PRO A 489 4.856 11.197 4.755 1.00 15.00 H new ATOM 0 HD3 PRO A 489 3.597 11.800 5.814 1.00 15.00 H new ATOM 226 N ASN A 490 4.673 14.000 1.652 1.00 15.00 N ATOM 227 CA ASN A 490 5.174 14.546 0.397 1.00 15.00 C ATOM 228 C ASN A 490 4.091 14.463 -0.672 1.00 15.00 C ATOM 229 O ASN A 490 4.199 15.081 -1.732 1.00 15.00 O ATOM 230 CB ASN A 490 6.472 13.851 -0.049 1.00 15.00 C ATOM 231 CG ASN A 490 6.356 12.344 -0.125 1.00 15.00 C ATOM 232 OD1 ASN A 490 5.502 11.746 0.520 1.00 15.00 O ATOM 233 ND2 ASN A 490 7.226 11.709 -0.894 1.00 15.00 N ATOM 0 H ASN A 490 4.596 12.983 1.674 1.00 15.00 H new ATOM 0 HA ASN A 490 5.425 15.595 0.552 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.762 14.235 -1.027 1.00 15.00 H new ATOM 0 HB3 ASN A 490 7.271 14.111 0.645 1.00 15.00 H new ATOM 0 HD21 ASN A 490 7.198 10.692 -0.963 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.924 12.237 -1.418 1.00 15.00 H new ATOM 240 N GLY A 491 3.056 13.675 -0.394 1.00 15.00 N ATOM 241 CA GLY A 491 1.964 13.520 -1.331 1.00 15.00 C ATOM 242 C GLY A 491 1.952 12.130 -1.906 1.00 15.00 C ATOM 243 O GLY A 491 1.716 11.937 -3.098 1.00 15.00 O ATOM 0 H GLY A 491 2.957 13.140 0.469 1.00 15.00 H new ATOM 0 HA2 GLY A 491 1.017 13.720 -0.830 1.00 15.00 H new ATOM 0 HA3 GLY A 491 2.060 14.251 -2.134 1.00 15.00 H new ATOM 247 N ARG A 492 2.222 11.157 -1.051 1.00 15.00 N ATOM 248 CA ARG A 492 2.413 9.790 -1.498 1.00 15.00 C ATOM 249 C ARG A 492 1.619 8.796 -0.665 1.00 15.00 C ATOM 250 O ARG A 492 2.044 8.424 0.415 1.00 15.00 O ATOM 251 CB ARG A 492 3.896 9.428 -1.432 1.00 15.00 C ATOM 252 CG ARG A 492 4.770 10.325 -2.269 1.00 15.00 C ATOM 253 CD ARG A 492 5.889 9.585 -2.971 1.00 15.00 C ATOM 254 NE ARG A 492 6.734 10.481 -3.762 1.00 15.00 N ATOM 255 CZ ARG A 492 6.730 10.528 -5.093 1.00 15.00 C ATOM 256 NH1 ARG A 492 5.892 9.767 -5.790 1.00 15.00 N ATOM 257 NH2 ARG A 492 7.562 11.343 -5.732 1.00 15.00 N ATOM 0 H ARG A 492 2.314 11.290 -0.044 1.00 15.00 H new ATOM 0 HA ARG A 492 2.051 9.731 -2.525 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.228 9.475 -0.395 1.00 15.00 H new ATOM 0 HB3 ARG A 492 4.025 8.397 -1.761 1.00 15.00 H new ATOM 0 HG2 ARG A 492 4.154 10.829 -3.014 1.00 15.00 H new ATOM 0 HG3 ARG A 492 5.199 11.099 -1.633 1.00 15.00 H new ATOM 0 HD2 ARG A 492 6.502 9.070 -2.231 1.00 15.00 H new ATOM 0 HD3 ARG A 492 5.464 8.820 -3.622 1.00 15.00 H new ATOM 0 HE ARG A 492 7.365 11.108 -3.263 1.00 15.00 H new ATOM 0 HH11 ARG A 492 5.247 9.143 -5.306 1.00 15.00 H new ATOM 0 HH12 ARG A 492 5.894 9.808 -6.809 1.00 15.00 H new ATOM 0 HH21 ARG A 492 8.204 11.933 -5.203 1.00 15.00 H new ATOM 0 HH22 ARG A 492 7.559 11.379 -6.751 1.00 15.00 H new ATOM 271 N PRO A 493 0.447 8.377 -1.144 1.00 15.00 N ATOM 272 CA PRO A 493 -0.310 7.278 -0.551 1.00 15.00 C ATOM 273 C PRO A 493 0.099 5.978 -1.158 1.00 15.00 C ATOM 274 O PRO A 493 -0.281 5.619 -2.273 1.00 15.00 O ATOM 275 CB PRO A 493 -1.768 7.627 -0.888 1.00 15.00 C ATOM 276 CG PRO A 493 -1.688 8.975 -1.528 1.00 15.00 C ATOM 277 CD PRO A 493 -0.340 9.019 -2.183 1.00 15.00 C ATOM 0 HA PRO A 493 -0.148 7.166 0.521 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.207 6.892 -1.563 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.389 7.648 0.008 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.485 9.112 -2.258 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.793 9.769 -0.789 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.314 8.474 -3.127 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.008 10.036 -2.393 1.00 15.00 H new ATOM 285 N PHE A 494 0.960 5.313 -0.418 1.00 15.00 N ATOM 286 CA PHE A 494 1.545 4.109 -0.871 1.00 15.00 C ATOM 287 C PHE A 494 0.584 3.039 -0.389 1.00 15.00 C ATOM 288 O PHE A 494 0.307 2.966 0.813 1.00 15.00 O ATOM 289 CB PHE A 494 2.865 3.827 -0.160 1.00 15.00 C ATOM 290 CG PHE A 494 3.650 5.015 0.340 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.430 5.452 1.644 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.634 5.645 -0.400 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.151 6.461 2.188 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.380 6.669 0.163 1.00 15.00 C ATOM 295 CZ PHE A 494 5.138 7.069 1.463 1.00 15.00 C ATOM 0 H PHE A 494 1.262 5.607 0.511 1.00 15.00 H new ATOM 0 HA PHE A 494 1.722 4.146 -1.946 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.658 3.178 0.691 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.502 3.265 -0.843 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.664 4.974 2.237 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.822 5.339 -1.418 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.946 6.786 3.197 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.152 7.155 -0.416 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.726 7.859 1.905 1.00 15.00 H new ATOM 305 N PHE A 495 0.059 2.236 -1.263 1.00 15.00 N ATOM 306 CA PHE A 495 -0.705 1.103 -0.822 1.00 15.00 C ATOM 307 C PHE A 495 0.299 -0.052 -0.664 1.00 15.00 C ATOM 308 O PHE A 495 0.683 -0.662 -1.658 1.00 15.00 O ATOM 309 CB PHE A 495 -1.776 0.714 -1.852 1.00 15.00 C ATOM 310 CG PHE A 495 -2.806 1.779 -2.117 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.716 2.138 -1.138 1.00 15.00 C ATOM 312 CD2 PHE A 495 -2.870 2.415 -3.349 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.665 3.112 -1.376 1.00 15.00 C ATOM 314 CE2 PHE A 495 -3.818 3.390 -3.592 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.716 3.740 -2.603 1.00 15.00 C ATOM 0 H PHE A 495 0.142 2.339 -2.274 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.224 1.332 0.109 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.284 0.462 -2.791 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.284 -0.186 -1.506 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -3.683 1.650 -0.175 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -2.171 2.145 -4.126 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -5.367 3.382 -0.601 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -3.857 3.878 -4.555 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.456 4.504 -2.790 1.00 15.00 H new ATOM 325 N TYR A 496 0.814 -0.296 0.544 1.00 15.00 N ATOM 326 CA TYR A 496 1.892 -1.287 0.705 1.00 15.00 C ATOM 327 C TYR A 496 1.413 -2.578 1.373 1.00 15.00 C ATOM 328 O TYR A 496 0.801 -2.559 2.446 1.00 15.00 O ATOM 329 CB TYR A 496 3.099 -0.670 1.441 1.00 15.00 C ATOM 330 CG TYR A 496 3.983 -1.671 2.187 1.00 15.00 C ATOM 331 CD1 TYR A 496 5.001 -2.381 1.543 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.810 -1.892 3.547 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.800 -3.267 2.237 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.611 -2.777 4.242 1.00 15.00 C ATOM 335 CZ TYR A 496 5.603 -3.459 3.584 1.00 15.00 C ATOM 336 OH TYR A 496 6.398 -4.341 4.274 1.00 15.00 O ATOM 0 H TYR A 496 0.516 0.162 1.405 1.00 15.00 H new ATOM 0 HA TYR A 496 2.218 -1.572 -0.295 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.713 -0.136 0.716 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.732 0.069 2.153 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.165 -2.234 0.486 1.00 15.00 H new ATOM 0 HD2 TYR A 496 3.031 -1.360 4.073 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.579 -3.809 1.722 1.00 15.00 H new ATOM 0 HE2 TYR A 496 4.457 -2.932 5.300 1.00 15.00 H new ATOM 0 HH TYR A 496 6.127 -4.358 5.216 1.00 15.00 H new ATOM 346 N ASP A 497 1.737 -3.698 0.718 1.00 15.00 N ATOM 347 CA ASP A 497 1.303 -5.040 1.134 1.00 15.00 C ATOM 348 C ASP A 497 2.341 -5.627 2.098 1.00 15.00 C ATOM 349 O ASP A 497 3.534 -5.395 1.918 1.00 15.00 O ATOM 350 CB ASP A 497 1.238 -5.960 -0.075 1.00 15.00 C ATOM 351 CG ASP A 497 0.714 -7.322 0.303 1.00 15.00 C ATOM 352 OD1 ASP A 497 -0.517 -7.514 0.291 1.00 15.00 O ATOM 353 OD2 ASP A 497 1.534 -8.192 0.647 1.00 15.00 O ATOM 0 H ASP A 497 2.313 -3.701 -0.124 1.00 15.00 H new ATOM 0 HA ASP A 497 0.324 -4.961 1.607 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.595 -5.519 -0.837 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.231 -6.059 -0.514 1.00 15.00 H new ATOM 358 N HIS A 498 1.911 -6.431 3.067 1.00 15.00 N ATOM 359 CA HIS A 498 2.814 -6.935 4.104 1.00 15.00 C ATOM 360 C HIS A 498 3.072 -8.435 3.965 1.00 15.00 C ATOM 361 O HIS A 498 3.841 -9.002 4.739 1.00 15.00 O ATOM 362 CB HIS A 498 2.258 -6.639 5.504 1.00 15.00 C ATOM 363 CG HIS A 498 2.127 -5.179 5.814 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.420 -4.315 5.017 1.00 15.00 N ATOM 365 CD2 HIS A 498 2.607 -4.427 6.833 1.00 15.00 C ATOM 366 CE1 HIS A 498 1.461 -3.115 5.513 1.00 15.00 C ATOM 367 NE2 HIS A 498 2.175 -3.142 6.620 1.00 15.00 N ATOM 0 H HIS A 498 0.946 -6.748 3.158 1.00 15.00 H new ATOM 0 HA HIS A 498 3.763 -6.414 3.972 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.280 -7.109 5.602 1.00 15.00 H new ATOM 0 HB3 HIS A 498 2.909 -7.100 6.247 1.00 15.00 H new ATOM 0 HD1 HIS A 498 0.933 -4.577 4.160 1.00 15.00 H new ATOM 0 HD2 HIS A 498 3.214 -4.773 7.656 1.00 15.00 H new ATOM 0 HE1 HIS A 498 0.989 -2.241 5.089 1.00 15.00 H new ATOM 376 N ASN A 499 2.444 -9.087 2.992 1.00 15.00 N ATOM 377 CA ASN A 499 2.700 -10.508 2.769 1.00 15.00 C ATOM 378 C ASN A 499 3.605 -10.704 1.563 1.00 15.00 C ATOM 379 O ASN A 499 4.117 -11.799 1.326 1.00 15.00 O ATOM 380 CB ASN A 499 1.407 -11.332 2.617 1.00 15.00 C ATOM 381 CG ASN A 499 0.468 -10.828 1.535 1.00 15.00 C ATOM 382 OD1 ASN A 499 -0.475 -10.086 1.817 1.00 15.00 O ATOM 383 ND2 ASN A 499 0.709 -11.233 0.296 1.00 15.00 N ATOM 0 H ASN A 499 1.767 -8.666 2.356 1.00 15.00 H new ATOM 0 HA ASN A 499 3.205 -10.880 3.660 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.673 -12.366 2.398 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.877 -11.334 3.570 1.00 15.00 H new ATOM 0 HD21 ASN A 499 0.103 -10.930 -0.466 1.00 15.00 H new ATOM 0 HD22 ASN A 499 1.501 -11.847 0.105 1.00 15.00 H new ATOM 390 N THR A 500 3.778 -9.645 0.785 1.00 15.00 N ATOM 391 CA THR A 500 4.753 -9.645 -0.294 1.00 15.00 C ATOM 392 C THR A 500 5.626 -8.381 -0.232 1.00 15.00 C ATOM 393 O THR A 500 6.516 -8.186 -1.061 1.00 15.00 O ATOM 394 CB THR A 500 4.061 -9.777 -1.675 1.00 15.00 C ATOM 395 OG1 THR A 500 5.033 -9.971 -2.711 1.00 15.00 O ATOM 396 CG2 THR A 500 3.215 -8.554 -1.991 1.00 15.00 C ATOM 0 H THR A 500 3.255 -8.775 0.882 1.00 15.00 H new ATOM 0 HA THR A 500 5.400 -10.513 -0.166 1.00 15.00 H new ATOM 0 HB THR A 500 3.406 -10.647 -1.629 1.00 15.00 H new ATOM 0 HG1 THR A 500 5.842 -9.460 -2.500 1.00 15.00 H new ATOM 0 HG21 THR A 500 2.744 -8.679 -2.966 1.00 15.00 H new ATOM 0 HG22 THR A 500 2.445 -8.437 -1.228 1.00 15.00 H new ATOM 0 HG23 THR A 500 3.849 -7.667 -2.005 1.00 15.00 H new ATOM 404 N LYS A 501 5.368 -7.535 0.777 1.00 15.00 N ATOM 405 CA LYS A 501 6.161 -6.319 1.025 1.00 15.00 C ATOM 406 C LYS A 501 6.264 -5.444 -0.219 1.00 15.00 C ATOM 407 O LYS A 501 7.345 -4.969 -0.569 1.00 15.00 O ATOM 408 CB LYS A 501 7.571 -6.663 1.515 1.00 15.00 C ATOM 409 CG LYS A 501 7.670 -7.030 2.994 1.00 15.00 C ATOM 410 CD LYS A 501 6.896 -8.291 3.344 1.00 15.00 C ATOM 411 CE LYS A 501 6.953 -8.578 4.838 1.00 15.00 C ATOM 412 NZ LYS A 501 8.316 -8.969 5.286 1.00 15.00 N ATOM 0 H LYS A 501 4.607 -7.673 1.442 1.00 15.00 H new ATOM 0 HA LYS A 501 5.636 -5.763 1.801 1.00 15.00 H new ATOM 0 HB2 LYS A 501 7.952 -7.496 0.924 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.224 -5.811 1.323 1.00 15.00 H new ATOM 0 HG2 LYS A 501 8.718 -7.168 3.260 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.295 -6.201 3.595 1.00 15.00 H new ATOM 0 HD2 LYS A 501 5.857 -8.181 3.032 1.00 15.00 H new ATOM 0 HD3 LYS A 501 7.307 -9.137 2.793 1.00 15.00 H new ATOM 0 HE2 LYS A 501 6.632 -7.693 5.388 1.00 15.00 H new ATOM 0 HE3 LYS A 501 6.251 -9.376 5.079 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 8.288 -9.236 6.291 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 8.648 -9.777 4.722 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.966 -8.168 5.159 1.00 15.00 H new ATOM 426 N THR A 502 5.137 -5.188 -0.853 1.00 15.00 N ATOM 427 CA THR A 502 5.130 -4.410 -2.080 1.00 15.00 C ATOM 428 C THR A 502 4.601 -3.001 -1.842 1.00 15.00 C ATOM 429 O THR A 502 3.464 -2.821 -1.410 1.00 15.00 O ATOM 430 CB THR A 502 4.294 -5.098 -3.177 1.00 15.00 C ATOM 431 OG1 THR A 502 4.856 -6.381 -3.478 1.00 15.00 O ATOM 432 CG2 THR A 502 4.245 -4.256 -4.447 1.00 15.00 C ATOM 0 H THR A 502 4.218 -5.504 -0.543 1.00 15.00 H new ATOM 0 HA THR A 502 6.164 -4.343 -2.418 1.00 15.00 H new ATOM 0 HB THR A 502 3.277 -5.214 -2.803 1.00 15.00 H new ATOM 0 HG1 THR A 502 4.322 -6.817 -4.174 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.648 -4.769 -5.201 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.795 -3.288 -4.225 1.00 15.00 H new ATOM 0 HG23 THR A 502 5.257 -4.108 -4.825 1.00 15.00 H new ATOM 440 N THR A 503 5.442 -2.012 -2.109 1.00 15.00 N ATOM 441 CA THR A 503 5.021 -0.623 -2.096 1.00 15.00 C ATOM 442 C THR A 503 4.537 -0.240 -3.485 1.00 15.00 C ATOM 443 O THR A 503 5.302 -0.283 -4.448 1.00 15.00 O ATOM 444 CB THR A 503 6.176 0.309 -1.675 1.00 15.00 C ATOM 445 OG1 THR A 503 7.403 -0.136 -2.267 1.00 15.00 O ATOM 446 CG2 THR A 503 6.329 0.354 -0.166 1.00 15.00 C ATOM 0 H THR A 503 6.426 -2.150 -2.339 1.00 15.00 H new ATOM 0 HA THR A 503 4.216 -0.510 -1.370 1.00 15.00 H new ATOM 0 HB THR A 503 5.940 1.314 -2.025 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.247 -0.370 -3.206 1.00 15.00 H new ATOM 0 HG21 THR A 503 7.151 1.020 0.097 1.00 15.00 H new ATOM 0 HG22 THR A 503 5.406 0.723 0.282 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.539 -0.648 0.208 1.00 15.00 H new ATOM 454 N THR A 504 3.269 0.103 -3.599 1.00 15.00 N ATOM 455 CA THR A 504 2.682 0.377 -4.893 1.00 15.00 C ATOM 456 C THR A 504 1.740 1.560 -4.803 1.00 15.00 C ATOM 457 O THR A 504 1.178 1.815 -3.757 1.00 15.00 O ATOM 458 CB THR A 504 1.913 -0.858 -5.412 1.00 15.00 C ATOM 459 OG1 THR A 504 1.694 -0.737 -6.822 1.00 15.00 O ATOM 460 CG2 THR A 504 0.572 -1.028 -4.710 1.00 15.00 C ATOM 0 H THR A 504 2.627 0.198 -2.812 1.00 15.00 H new ATOM 0 HA THR A 504 3.487 0.611 -5.589 1.00 15.00 H new ATOM 0 HB THR A 504 2.522 -1.736 -5.199 1.00 15.00 H new ATOM 0 HG1 THR A 504 1.353 -1.586 -7.174 1.00 15.00 H new ATOM 0 HG21 THR A 504 0.064 -1.908 -5.105 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.735 -1.153 -3.639 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.044 -0.145 -4.883 1.00 15.00 H new ATOM 468 N TRP A 505 1.591 2.311 -5.875 1.00 15.00 N ATOM 469 CA TRP A 505 0.554 3.327 -5.902 1.00 15.00 C ATOM 470 C TRP A 505 -0.663 2.764 -6.633 1.00 15.00 C ATOM 471 O TRP A 505 -1.704 3.413 -6.730 1.00 15.00 O ATOM 472 CB TRP A 505 1.018 4.612 -6.590 1.00 15.00 C ATOM 473 CG TRP A 505 2.466 4.967 -6.386 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.470 4.755 -7.289 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.081 5.614 -5.246 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.654 5.237 -6.804 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.447 5.766 -5.563 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.635 6.091 -3.992 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.351 6.366 -4.697 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.541 6.680 -3.152 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.878 6.816 -3.504 1.00 15.00 C ATOM 0 H TRP A 505 2.158 2.243 -6.720 1.00 15.00 H new ATOM 0 HA TRP A 505 0.304 3.585 -4.873 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.832 4.519 -7.660 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.405 5.438 -6.230 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.346 4.275 -8.249 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.549 5.206 -7.292 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.599 5.992 -3.702 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.393 6.472 -4.961 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.209 7.048 -2.193 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.559 7.291 -2.813 1.00 15.00 H new ATOM 492 N GLU A 506 -0.508 1.545 -7.145 1.00 15.00 N ATOM 493 CA GLU A 506 -1.566 0.860 -7.877 1.00 15.00 C ATOM 494 C GLU A 506 -2.595 0.306 -6.900 1.00 15.00 C ATOM 495 O GLU A 506 -2.253 -0.044 -5.773 1.00 15.00 O ATOM 496 CB GLU A 506 -0.974 -0.287 -8.702 1.00 15.00 C ATOM 497 CG GLU A 506 0.221 0.116 -9.557 1.00 15.00 C ATOM 498 CD GLU A 506 -0.126 1.122 -10.631 1.00 15.00 C ATOM 499 OE1 GLU A 506 -0.117 2.336 -10.344 1.00 15.00 O ATOM 500 OE2 GLU A 506 -0.388 0.705 -11.779 1.00 15.00 O ATOM 0 H GLU A 506 0.354 1.006 -7.063 1.00 15.00 H new ATOM 0 HA GLU A 506 -2.050 1.571 -8.547 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.671 -1.088 -8.027 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.751 -0.693 -9.350 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.995 0.534 -8.914 1.00 15.00 H new ATOM 0 HG3 GLU A 506 0.641 -0.774 -10.025 1.00 15.00 H new ATOM 507 N ASP A 507 -3.846 0.217 -7.334 1.00 15.00 N ATOM 508 CA ASP A 507 -4.919 -0.272 -6.472 1.00 15.00 C ATOM 509 C ASP A 507 -4.724 -1.743 -6.109 1.00 15.00 C ATOM 510 O ASP A 507 -4.862 -2.625 -6.933 1.00 15.00 O ATOM 511 CB ASP A 507 -6.284 -0.051 -7.130 1.00 15.00 C ATOM 512 CG ASP A 507 -7.441 -0.598 -6.306 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.782 -1.789 -6.463 1.00 15.00 O ATOM 514 OD2 ASP A 507 -8.027 0.164 -5.509 1.00 15.00 O ATOM 0 H ASP A 507 -4.144 0.476 -8.275 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.885 0.301 -5.545 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.434 1.016 -7.292 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.289 -0.526 -8.111 1.00 15.00 H new ATOM 519 N PRO A 508 -4.435 -1.989 -4.834 1.00 15.00 N ATOM 520 CA PRO A 508 -4.139 -3.312 -4.250 1.00 15.00 C ATOM 521 C PRO A 508 -5.360 -4.144 -4.077 1.00 15.00 C ATOM 522 O PRO A 508 -5.300 -5.300 -3.694 1.00 15.00 O ATOM 523 CB PRO A 508 -3.542 -2.964 -2.915 1.00 15.00 C ATOM 524 CG PRO A 508 -4.264 -1.739 -2.535 1.00 15.00 C ATOM 525 CD PRO A 508 -4.404 -0.948 -3.794 1.00 15.00 C ATOM 0 HA PRO A 508 -3.485 -3.907 -4.888 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -3.690 -3.762 -2.187 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.468 -2.793 -2.986 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -5.240 -1.975 -2.110 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -3.714 -1.178 -1.779 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.314 -0.348 -3.795 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -3.569 -0.261 -3.935 1.00 15.00 H new ATOM 533 N ARG A 509 -6.472 -3.523 -4.289 1.00 15.00 N ATOM 534 CA ARG A 509 -7.716 -4.140 -4.094 1.00 15.00 C ATOM 535 C ARG A 509 -7.913 -4.951 -5.340 1.00 15.00 C ATOM 536 O ARG A 509 -8.863 -5.718 -5.496 1.00 15.00 O ATOM 537 CB ARG A 509 -8.761 -3.084 -3.796 1.00 15.00 C ATOM 538 CG ARG A 509 -8.216 -2.088 -2.778 1.00 15.00 C ATOM 539 CD ARG A 509 -9.277 -1.131 -2.276 1.00 15.00 C ATOM 540 NE ARG A 509 -9.763 -0.239 -3.323 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.901 0.445 -3.234 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.682 0.296 -2.173 1.00 15.00 N ATOM 543 NH2 ARG A 509 -11.264 1.267 -4.207 1.00 15.00 N ATOM 0 H ARG A 509 -6.529 -2.556 -4.608 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.790 -4.804 -3.233 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.038 -2.565 -4.714 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.666 -3.554 -3.410 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.793 -2.632 -1.933 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.403 -1.519 -3.230 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.113 -1.701 -1.871 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.869 -0.538 -1.458 1.00 15.00 H new ATOM 0 HE ARG A 509 -9.201 -0.134 -4.168 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.410 -0.343 -1.425 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.554 0.820 -2.104 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -10.670 1.378 -5.029 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -12.137 1.789 -4.134 1.00 15.00 H new ATOM 557 N LEU A 510 -6.995 -4.698 -6.274 1.00 15.00 N ATOM 558 CA LEU A 510 -6.918 -5.498 -7.455 1.00 15.00 C ATOM 559 C LEU A 510 -6.596 -6.947 -7.056 1.00 15.00 C ATOM 560 O LEU A 510 -6.940 -7.909 -7.748 1.00 15.00 O ATOM 561 CB LEU A 510 -5.879 -4.975 -8.482 1.00 15.00 C ATOM 562 CG LEU A 510 -4.388 -5.258 -8.177 1.00 15.00 C ATOM 563 CD1 LEU A 510 -3.988 -6.675 -8.565 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.488 -4.268 -8.899 1.00 15.00 C ATOM 0 H LEU A 510 -6.307 -3.947 -6.219 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.886 -5.444 -7.953 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.115 -5.409 -9.454 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.007 -3.897 -8.575 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.262 -5.146 -7.100 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -2.934 -6.832 -8.334 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.592 -7.390 -8.006 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.151 -6.820 -9.633 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.446 -4.488 -8.668 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.647 -4.349 -9.974 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -3.726 -3.255 -8.573 1.00 15.00 H new ATOM 576 N LYS A 511 -5.906 -7.049 -5.915 1.00 15.00 N ATOM 577 CA LYS A 511 -5.382 -8.292 -5.334 1.00 15.00 C ATOM 578 C LYS A 511 -6.490 -9.252 -4.918 1.00 15.00 C ATOM 579 O LYS A 511 -6.227 -10.394 -4.544 1.00 15.00 O ATOM 580 CB LYS A 511 -4.534 -7.940 -4.112 1.00 15.00 C ATOM 581 CG LYS A 511 -3.907 -9.113 -3.393 1.00 15.00 C ATOM 582 CD LYS A 511 -3.853 -8.852 -1.898 1.00 15.00 C ATOM 583 CE LYS A 511 -2.649 -9.548 -1.272 1.00 15.00 C ATOM 584 NZ LYS A 511 -2.446 -9.171 0.152 1.00 15.00 N ATOM 0 H LYS A 511 -5.687 -6.232 -5.345 1.00 15.00 H new ATOM 0 HA LYS A 511 -4.786 -8.795 -6.096 1.00 15.00 H new ATOM 0 HB2 LYS A 511 -3.740 -7.262 -4.426 1.00 15.00 H new ATOM 0 HB3 LYS A 511 -5.158 -7.394 -3.404 1.00 15.00 H new ATOM 0 HG2 LYS A 511 -4.482 -10.018 -3.590 1.00 15.00 H new ATOM 0 HG3 LYS A 511 -2.901 -9.286 -3.775 1.00 15.00 H new ATOM 0 HD2 LYS A 511 -3.796 -7.779 -1.713 1.00 15.00 H new ATOM 0 HD3 LYS A 511 -4.770 -9.208 -1.428 1.00 15.00 H new ATOM 0 HE2 LYS A 511 -2.781 -10.628 -1.343 1.00 15.00 H new ATOM 0 HE3 LYS A 511 -1.753 -9.298 -1.841 1.00 15.00 H new ATOM 0 HZ1 LYS A 511 -1.778 -9.834 0.595 1.00 15.00 H new ATOM 0 HZ2 LYS A 511 -2.062 -8.206 0.204 1.00 15.00 H new ATOM 0 HZ3 LYS A 511 -3.356 -9.209 0.654 1.00 15.00 H new ATOM 598 N PHE A 512 -7.730 -8.779 -4.951 1.00 15.00 N ATOM 599 CA PHE A 512 -8.856 -9.478 -4.307 1.00 15.00 C ATOM 600 C PHE A 512 -9.227 -10.945 -4.653 1.00 15.00 C ATOM 601 O PHE A 512 -9.942 -11.589 -3.891 1.00 15.00 O ATOM 602 CB PHE A 512 -10.086 -8.586 -4.253 1.00 15.00 C ATOM 603 CG PHE A 512 -10.051 -7.613 -3.113 1.00 15.00 C ATOM 604 CD1 PHE A 512 -8.948 -6.788 -2.893 1.00 15.00 C ATOM 605 CD2 PHE A 512 -11.126 -7.532 -2.242 1.00 15.00 C ATOM 606 CE1 PHE A 512 -8.939 -5.916 -1.837 1.00 15.00 C ATOM 607 CE2 PHE A 512 -11.111 -6.653 -1.179 1.00 15.00 C ATOM 608 CZ PHE A 512 -10.016 -5.844 -0.976 1.00 15.00 C ATOM 0 H PHE A 512 -7.991 -7.910 -5.417 1.00 15.00 H new ATOM 0 HA PHE A 512 -8.411 -9.660 -3.329 1.00 15.00 H new ATOM 0 HB2 PHE A 512 -10.172 -8.037 -5.191 1.00 15.00 H new ATOM 0 HB3 PHE A 512 -10.977 -9.208 -4.166 1.00 15.00 H new ATOM 0 HD1 PHE A 512 -8.098 -6.837 -3.558 1.00 15.00 H new ATOM 0 HD2 PHE A 512 -11.987 -8.165 -2.398 1.00 15.00 H new ATOM 0 HE1 PHE A 512 -8.082 -5.279 -1.676 1.00 15.00 H new ATOM 0 HE2 PHE A 512 -11.956 -6.600 -0.508 1.00 15.00 H new ATOM 0 HZ PHE A 512 -9.999 -5.154 -0.145 1.00 15.00 H new ATOM 618 N PRO A 513 -8.755 -11.471 -5.741 1.00 15.00 N ATOM 619 CA PRO A 513 -8.774 -12.897 -6.070 1.00 15.00 C ATOM 620 C PRO A 513 -7.979 -13.711 -5.040 1.00 15.00 C ATOM 621 O PRO A 513 -7.984 -14.940 -5.059 1.00 15.00 O ATOM 622 CB PRO A 513 -8.118 -12.951 -7.459 1.00 15.00 C ATOM 623 CG PRO A 513 -8.175 -11.544 -7.962 1.00 15.00 C ATOM 624 CD PRO A 513 -8.168 -10.681 -6.735 1.00 15.00 C ATOM 0 HA PRO A 513 -9.776 -13.325 -6.062 1.00 15.00 H new ATOM 0 HB2 PRO A 513 -7.090 -13.308 -7.398 1.00 15.00 H new ATOM 0 HB3 PRO A 513 -8.652 -13.631 -8.123 1.00 15.00 H new ATOM 0 HG2 PRO A 513 -7.322 -11.321 -8.604 1.00 15.00 H new ATOM 0 HG3 PRO A 513 -9.073 -11.375 -8.556 1.00 15.00 H new ATOM 0 HD2 PRO A 513 -7.154 -10.390 -6.462 1.00 15.00 H new ATOM 0 HD3 PRO A 513 -8.732 -9.762 -6.894 1.00 15.00 H new ATOM 632 N VAL A 514 -7.258 -12.990 -4.170 1.00 15.00 N ATOM 633 CA VAL A 514 -6.430 -13.576 -3.108 1.00 15.00 C ATOM 634 C VAL A 514 -7.236 -14.403 -2.116 1.00 15.00 C ATOM 635 O VAL A 514 -6.699 -15.116 -1.270 1.00 15.00 O ATOM 636 CB VAL A 514 -5.607 -12.484 -2.363 1.00 15.00 C ATOM 637 CG1 VAL A 514 -6.493 -11.611 -1.474 1.00 15.00 C ATOM 638 CG2 VAL A 514 -4.473 -13.101 -1.556 1.00 15.00 C ATOM 0 H VAL A 514 -7.234 -11.970 -4.185 1.00 15.00 H new ATOM 0 HA VAL A 514 -5.740 -14.257 -3.606 1.00 15.00 H new ATOM 0 HB VAL A 514 -5.170 -11.839 -3.125 1.00 15.00 H new ATOM 0 HG11 VAL A 514 -5.880 -10.862 -0.972 1.00 15.00 H new ATOM 0 HG12 VAL A 514 -7.245 -11.113 -2.086 1.00 15.00 H new ATOM 0 HG13 VAL A 514 -6.987 -12.234 -0.728 1.00 15.00 H new ATOM 0 HG21 VAL A 514 -3.917 -12.313 -1.048 1.00 15.00 H new ATOM 0 HG22 VAL A 514 -4.884 -13.789 -0.817 1.00 15.00 H new ATOM 0 HG23 VAL A 514 -3.804 -13.643 -2.224 1.00 15.00 H new ATOM 648 N HIS A 515 -8.515 -14.296 -2.251 1.00 15.00 N ATOM 649 CA HIS A 515 -9.455 -14.967 -1.362 1.00 15.00 C ATOM 650 C HIS A 515 -9.770 -16.357 -1.892 1.00 15.00 C ATOM 651 O HIS A 515 -10.560 -16.463 -2.851 1.00 15.00 O ATOM 652 CB HIS A 515 -10.744 -14.155 -1.209 1.00 15.00 C ATOM 653 CG HIS A 515 -10.528 -12.825 -0.560 1.00 15.00 C ATOM 654 ND1 HIS A 515 -10.252 -11.686 -1.275 1.00 15.00 N ATOM 655 CD2 HIS A 515 -10.515 -12.460 0.742 1.00 15.00 C ATOM 656 CE1 HIS A 515 -10.067 -10.680 -0.447 1.00 15.00 C ATOM 657 NE2 HIS A 515 -10.225 -11.118 0.786 1.00 15.00 N ATOM 658 OXT HIS A 515 -9.214 -17.340 -1.356 1.00 15.00 O ATOM 0 H HIS A 515 -8.960 -13.740 -2.982 1.00 15.00 H new ATOM 0 HA HIS A 515 -8.992 -15.055 -0.379 1.00 15.00 H new ATOM 0 HB2 HIS A 515 -11.190 -14.004 -2.192 1.00 15.00 H new ATOM 0 HB3 HIS A 515 -11.459 -14.728 -0.619 1.00 15.00 H new ATOM 0 HD1 HIS A 515 -10.199 -11.628 -2.292 1.00 15.00 H new ATOM 0 HD2 HIS A 515 -10.698 -13.104 1.590 1.00 15.00 H new ATOM 0 HE1 HIS A 515 -9.826 -9.666 -0.730 1.00 15.00 H new TER 667 HIS A 515 ATOM 668 N ALA B 202 8.530 2.917 12.536 1.00 15.00 N ATOM 669 CA ALA B 202 9.532 2.111 11.802 1.00 15.00 C ATOM 670 C ALA B 202 8.899 0.857 11.202 1.00 15.00 C ATOM 671 O ALA B 202 9.589 0.027 10.604 1.00 15.00 O ATOM 672 CB ALA B 202 10.675 1.726 12.731 1.00 15.00 C ATOM 0 HA ALA B 202 9.922 2.718 10.985 1.00 15.00 H new ATOM 0 HB1 ALA B 202 11.407 1.133 12.182 1.00 15.00 H new ATOM 0 HB2 ALA B 202 11.152 2.628 13.114 1.00 15.00 H new ATOM 0 HB3 ALA B 202 10.286 1.140 13.564 1.00 15.00 H new ATOM 680 N GLY B 203 7.590 0.713 11.370 1.00 15.00 N ATOM 681 CA GLY B 203 6.900 -0.445 10.841 1.00 15.00 C ATOM 682 C GLY B 203 5.822 -0.069 9.848 1.00 15.00 C ATOM 683 O GLY B 203 4.907 -0.850 9.588 1.00 15.00 O ATOM 0 H GLY B 203 6.995 1.378 11.864 1.00 15.00 H new ATOM 0 HA2 GLY B 203 7.621 -1.105 10.358 1.00 15.00 H new ATOM 0 HA3 GLY B 203 6.454 -1.006 11.662 1.00 15.00 H new HETATM 687 N SEP B 204 5.920 1.129 9.294 1.00 15.00 N HETATM 688 CA SEP B 204 4.911 1.614 8.368 1.00 15.00 C HETATM 689 CB SEP B 204 4.187 2.814 8.965 1.00 15.00 C HETATM 690 OG SEP B 204 4.289 2.838 10.375 1.00 15.00 O HETATM 691 C SEP B 204 5.547 2.010 7.037 1.00 15.00 C HETATM 692 O SEP B 204 6.628 2.598 7.004 1.00 15.00 O HETATM 693 P SEP B 204 5.047 4.020 11.179 1.00 15.00 P HETATM 694 O1P SEP B 204 5.951 3.405 12.158 1.00 15.00 O HETATM 695 O2P SEP B 204 4.053 4.847 11.860 1.00 15.00 O HETATM 696 O3P SEP B 204 5.811 4.826 10.226 1.00 15.00 O HETATM 0 HB3 SEP B 204 4.605 3.733 8.554 1.00 15.00 H new HETATM 0 HB2 SEP B 204 3.136 2.785 8.677 1.00 15.00 H new HETATM 0 HA SEP B 204 4.195 0.811 8.190 1.00 15.00 H new ATOM 701 N PRO B 205 4.868 1.691 5.926 1.00 15.00 N ATOM 702 CA PRO B 205 5.320 2.054 4.580 1.00 15.00 C ATOM 703 C PRO B 205 5.461 3.561 4.363 1.00 15.00 C ATOM 704 O PRO B 205 4.465 4.274 4.298 1.00 15.00 O ATOM 705 CB PRO B 205 4.223 1.524 3.651 1.00 15.00 C ATOM 706 CG PRO B 205 3.094 1.066 4.520 1.00 15.00 C ATOM 707 CD PRO B 205 3.619 0.919 5.913 1.00 15.00 C ATOM 0 HA PRO B 205 6.311 1.637 4.399 1.00 15.00 H new ATOM 0 HB2 PRO B 205 3.890 2.303 2.965 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.598 0.702 3.042 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.276 1.786 4.494 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.695 0.117 4.160 1.00 15.00 H new ATOM 0 HD2 PRO B 205 2.909 1.303 6.646 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.798 -0.127 6.160 1.00 15.00 H new ATOM 715 N ASN B 206 6.697 4.046 4.327 1.00 15.00 N ATOM 716 CA ASN B 206 6.977 5.405 3.862 1.00 15.00 C ATOM 717 C ASN B 206 7.917 5.347 2.661 1.00 15.00 C ATOM 718 O ASN B 206 8.095 6.327 1.953 1.00 15.00 O ATOM 719 CB ASN B 206 7.553 6.265 4.997 1.00 15.00 C ATOM 720 CG ASN B 206 7.488 7.781 4.780 1.00 15.00 C ATOM 721 OD1 ASN B 206 7.367 8.534 5.750 1.00 15.00 O ATOM 722 ND2 ASN B 206 7.574 8.251 3.547 1.00 15.00 N ATOM 0 H ASN B 206 7.523 3.521 4.614 1.00 15.00 H new ATOM 0 HA ASN B 206 6.047 5.878 3.548 1.00 15.00 H new ATOM 0 HB2 ASN B 206 7.020 6.025 5.917 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.595 5.983 5.150 1.00 15.00 H new ATOM 0 HD21 ASN B 206 7.541 9.257 3.381 1.00 15.00 H new ATOM 0 HD22 ASN B 206 7.674 7.608 2.762 1.00 15.00 H new ATOM 729 N LEU B 207 8.542 4.195 2.447 1.00 15.00 N ATOM 730 CA LEU B 207 9.442 4.030 1.311 1.00 15.00 C ATOM 731 C LEU B 207 8.689 4.204 -0.011 1.00 15.00 C ATOM 732 O LEU B 207 7.966 3.310 -0.459 1.00 15.00 O ATOM 733 CB LEU B 207 10.182 2.676 1.347 1.00 15.00 C ATOM 734 CG LEU B 207 9.312 1.410 1.380 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.112 0.208 0.900 1.00 15.00 C ATOM 736 CD2 LEU B 207 8.785 1.148 2.784 1.00 15.00 C ATOM 0 H LEU B 207 8.444 3.369 3.038 1.00 15.00 H new ATOM 0 HA LEU B 207 10.198 4.812 1.385 1.00 15.00 H new ATOM 0 HB2 LEU B 207 10.830 2.620 0.472 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.829 2.666 2.224 1.00 15.00 H new ATOM 0 HG LEU B 207 8.463 1.567 0.714 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.484 -0.682 0.928 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.451 0.381 -0.122 1.00 15.00 H new ATOM 0 HD13 LEU B 207 10.976 0.063 1.549 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.172 0.247 2.780 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.623 1.014 3.468 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.182 1.995 3.110 1.00 15.00 H new HETATM 748 N SEP B 208 8.824 5.388 -0.594 1.00 15.00 N HETATM 749 CA SEP B 208 8.174 5.718 -1.851 1.00 15.00 C HETATM 750 CB SEP B 208 8.269 7.229 -2.099 1.00 15.00 C HETATM 751 OG SEP B 208 7.800 7.964 -0.985 1.00 15.00 O HETATM 752 C SEP B 208 8.820 4.975 -3.015 1.00 15.00 C HETATM 753 O SEP B 208 9.999 5.190 -3.310 1.00 15.00 O HETATM 754 P SEP B 208 8.736 8.951 -0.102 1.00 15.00 P HETATM 755 O1P SEP B 208 7.897 9.676 0.861 1.00 15.00 O HETATM 756 O2P SEP B 208 9.748 8.150 0.598 1.00 15.00 O HETATM 757 O3P SEP B 208 9.396 9.895 -1.008 1.00 15.00 O HETATM 0 HB3 SEP B 208 9.304 7.501 -2.307 1.00 15.00 H new HETATM 0 HB2 SEP B 208 7.687 7.492 -2.982 1.00 15.00 H new HETATM 0 HA SEP B 208 7.129 5.415 -1.784 1.00 15.00 H new HETATM 0 H SEP B 208 9.251 6.124 -0.032 1.00 15.00 H new ATOM 762 N PRO B 209 8.079 4.078 -3.693 1.00 15.00 N ATOM 763 CA PRO B 209 8.578 3.455 -4.910 1.00 15.00 C ATOM 764 C PRO B 209 8.581 4.451 -6.070 1.00 15.00 C ATOM 765 O PRO B 209 7.526 4.873 -6.549 1.00 15.00 O ATOM 766 CB PRO B 209 7.613 2.297 -5.167 1.00 15.00 C ATOM 767 CG PRO B 209 6.363 2.629 -4.421 1.00 15.00 C ATOM 768 CD PRO B 209 6.718 3.614 -3.337 1.00 15.00 C ATOM 0 HA PRO B 209 9.609 3.113 -4.814 1.00 15.00 H new ATOM 0 HB2 PRO B 209 7.413 2.185 -6.233 1.00 15.00 H new ATOM 0 HB3 PRO B 209 8.035 1.353 -4.821 1.00 15.00 H new ATOM 0 HG2 PRO B 209 5.619 3.054 -5.094 1.00 15.00 H new ATOM 0 HG3 PRO B 209 5.925 1.729 -3.990 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.011 4.443 -3.306 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.703 3.145 -2.353 1.00 15.00 H new ATOM 776 N ASN B 210 9.773 4.864 -6.475 1.00 15.00 N ATOM 777 CA ASN B 210 9.927 5.885 -7.505 1.00 15.00 C ATOM 778 C ASN B 210 9.826 5.268 -8.894 1.00 15.00 C ATOM 779 O ASN B 210 10.600 4.375 -9.242 1.00 15.00 O ATOM 780 CB ASN B 210 11.275 6.600 -7.345 1.00 15.00 C ATOM 781 CG ASN B 210 11.463 7.733 -8.341 1.00 15.00 C ATOM 782 OD1 ASN B 210 10.505 8.385 -8.753 1.00 15.00 O ATOM 783 ND2 ASN B 210 12.703 7.983 -8.729 1.00 15.00 N ATOM 0 H ASN B 210 10.653 4.506 -6.104 1.00 15.00 H new ATOM 0 HA ASN B 210 9.123 6.612 -7.390 1.00 15.00 H new ATOM 0 HB2 ASN B 210 11.353 6.996 -6.332 1.00 15.00 H new ATOM 0 HB3 ASN B 210 12.081 5.877 -7.468 1.00 15.00 H new ATOM 0 HD21 ASN B 210 12.888 8.737 -9.390 1.00 15.00 H new ATOM 0 HD22 ASN B 210 13.474 7.422 -8.367 1.00 15.00 H new ATOM 790 N PRO B 211 8.850 5.719 -9.695 1.00 15.00 N ATOM 791 CA PRO B 211 8.675 5.267 -11.071 1.00 15.00 C ATOM 792 C PRO B 211 9.658 5.952 -12.017 1.00 15.00 C ATOM 793 O PRO B 211 10.774 5.422 -12.209 1.00 15.00 O ATOM 794 CB PRO B 211 7.227 5.671 -11.414 1.00 15.00 C ATOM 795 CG PRO B 211 6.656 6.269 -10.166 1.00 15.00 C ATOM 796 CD PRO B 211 7.824 6.696 -9.327 1.00 15.00 C ATOM 797 OXT PRO B 211 9.320 7.023 -12.559 1.00 15.00 O ATOM 0 HA PRO B 211 8.859 4.198 -11.177 1.00 15.00 H new ATOM 0 HB2 PRO B 211 7.207 6.388 -12.235 1.00 15.00 H new ATOM 0 HB3 PRO B 211 6.646 4.806 -11.733 1.00 15.00 H new ATOM 0 HG2 PRO B 211 6.015 7.119 -10.401 1.00 15.00 H new ATOM 0 HG3 PRO B 211 6.041 5.543 -9.634 1.00 15.00 H new ATOM 0 HD2 PRO B 211 8.135 7.716 -9.553 1.00 15.00 H new ATOM 0 HD3 PRO B 211 7.593 6.661 -8.262 1.00 15.00 H new TER 805 PRO B 211