USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=12 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 Single : A 476 GLN : amide:sc= -0.678 K(o=-0.68,f=-2) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 485 MET CE :methyl 169:sc= -0.47 (180deg=-1.06) USER MOD Single : A 490 ASN : amide:sc= -8.87! C(o=-8.9!,f=-23!) USER MOD Single : A 496 TYR OH : rot 180:sc= 0 USER MOD Single : A 498 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-6.1!) USER MOD Single : A 499 ASN :FLIP amide:sc= -0.0483 F(o=-2!,f=-0.048) USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 501 LYS NZ :NH3+ -165:sc= 0.992 (180deg=0.818) USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.936 USER MOD Single : A 503 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0 USER MOD Single : A 511 LYS NZ :NH3+ 180:sc= 0.0958 (180deg=0.0959) USER MOD Single : A 515 HIS : no HE2:sc= 0.275 K(o=0.28,f=-1.5) USER MOD Single : B 206 ASN :FLIP amide:sc= -0.0615 F(o=-0.62,f=-0.062) USER MOD Single : B 210 ASN :FLIP amide:sc= -0.216 F(o=-3.3!,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 476 -7.622 -1.208 6.841 1.00 15.00 N ATOM 2 CA GLN A 476 -8.434 -0.116 6.255 1.00 15.00 C ATOM 3 C GLN A 476 -9.688 -0.677 5.593 1.00 15.00 C ATOM 4 O GLN A 476 -9.733 -1.846 5.223 1.00 15.00 O ATOM 5 CB GLN A 476 -7.632 0.668 5.217 1.00 15.00 C ATOM 6 CG GLN A 476 -6.469 1.474 5.785 1.00 15.00 C ATOM 7 CD GLN A 476 -5.285 0.622 6.201 1.00 15.00 C ATOM 8 OE1 GLN A 476 -5.060 -0.453 5.652 1.00 15.00 O ATOM 9 NE2 GLN A 476 -4.515 1.105 7.162 1.00 15.00 N ATOM 0 HA GLN A 476 -8.717 0.554 7.067 1.00 15.00 H new ATOM 0 HB2 GLN A 476 -7.244 -0.030 4.475 1.00 15.00 H new ATOM 0 HB3 GLN A 476 -8.306 1.347 4.695 1.00 15.00 H new ATOM 0 HG2 GLN A 476 -6.141 2.198 5.039 1.00 15.00 H new ATOM 0 HG3 GLN A 476 -6.818 2.042 6.647 1.00 15.00 H new ATOM 0 HE21 GLN A 476 -4.738 2.003 7.592 1.00 15.00 H new ATOM 0 HE22 GLN A 476 -3.698 0.580 7.473 1.00 15.00 H new ATOM 18 N SER A 477 -10.679 0.182 5.401 1.00 15.00 N ATOM 19 CA SER A 477 -11.981 -0.235 4.891 1.00 15.00 C ATOM 20 C SER A 477 -12.051 -0.163 3.366 1.00 15.00 C ATOM 21 O SER A 477 -12.972 -0.704 2.757 1.00 15.00 O ATOM 22 CB SER A 477 -13.072 0.648 5.495 1.00 15.00 C ATOM 23 OG SER A 477 -12.885 0.802 6.891 1.00 15.00 O ATOM 0 H SER A 477 -10.606 1.181 5.592 1.00 15.00 H new ATOM 0 HA SER A 477 -12.132 -1.275 5.180 1.00 15.00 H new ATOM 0 HB2 SER A 477 -13.062 1.626 5.013 1.00 15.00 H new ATOM 0 HB3 SER A 477 -14.050 0.207 5.302 1.00 15.00 H new ATOM 0 HG SER A 477 -13.594 1.372 7.255 1.00 15.00 H new ATOM 29 N PHE A 478 -11.091 0.529 2.754 1.00 15.00 N ATOM 30 CA PHE A 478 -11.117 0.762 1.299 1.00 15.00 C ATOM 31 C PHE A 478 -10.716 -0.582 0.769 1.00 15.00 C ATOM 32 O PHE A 478 -11.187 -1.122 -0.230 1.00 15.00 O ATOM 33 CB PHE A 478 -9.907 1.549 0.756 1.00 15.00 C ATOM 34 CG PHE A 478 -9.263 2.463 1.725 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.973 3.170 2.668 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.863 2.446 1.794 1.00 15.00 C ATOM 37 CE1 PHE A 478 -9.303 3.824 3.669 1.00 15.00 C ATOM 38 CE2 PHE A 478 -7.220 3.120 2.754 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.925 3.789 3.693 1.00 15.00 C ATOM 0 H PHE A 478 -10.289 0.938 3.233 1.00 15.00 H new ATOM 0 HA PHE A 478 -12.063 1.243 1.050 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.161 0.838 0.401 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.230 2.130 -0.108 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -11.051 3.209 2.620 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.298 1.883 1.065 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.849 4.361 4.431 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -6.140 3.130 2.779 1.00 15.00 H new ATOM 0 HZ PHE A 478 -7.397 4.308 4.480 1.00 15.00 H new ATOM 49 N LEU A 479 -9.768 -1.058 1.561 1.00 15.00 N ATOM 50 CA LEU A 479 -8.564 -1.655 1.089 1.00 15.00 C ATOM 51 C LEU A 479 -8.287 -3.015 1.776 1.00 15.00 C ATOM 52 O LEU A 479 -8.676 -3.233 2.923 1.00 15.00 O ATOM 53 CB LEU A 479 -7.481 -0.528 1.270 1.00 15.00 C ATOM 54 CG LEU A 479 -6.032 -0.880 0.999 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.185 0.372 0.911 1.00 15.00 C ATOM 56 CD2 LEU A 479 -5.502 -1.756 2.077 1.00 15.00 C ATOM 0 H LEU A 479 -9.833 -1.031 2.579 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.590 -1.958 0.042 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.750 0.301 0.616 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -7.549 -0.162 2.294 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.987 -1.409 0.047 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.148 0.097 0.716 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -5.551 1.003 0.101 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -5.245 0.918 1.852 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -4.460 -2.000 1.868 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -5.568 -1.237 3.033 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -6.088 -2.674 2.121 1.00 15.00 H new ATOM 68 N PRO A 480 -7.609 -3.932 1.046 1.00 15.00 N ATOM 69 CA PRO A 480 -7.366 -5.341 1.465 1.00 15.00 C ATOM 70 C PRO A 480 -6.582 -5.495 2.788 1.00 15.00 C ATOM 71 O PRO A 480 -6.007 -4.540 3.302 1.00 15.00 O ATOM 72 CB PRO A 480 -6.516 -5.920 0.312 1.00 15.00 C ATOM 73 CG PRO A 480 -6.194 -4.799 -0.620 1.00 15.00 C ATOM 74 CD PRO A 480 -7.076 -3.644 -0.286 1.00 15.00 C ATOM 0 HA PRO A 480 -8.317 -5.842 1.647 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.602 -6.370 0.699 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -7.063 -6.706 -0.209 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.146 -4.516 -0.525 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -6.349 -5.108 -1.654 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -6.517 -2.709 -0.291 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.879 -3.539 -1.016 1.00 15.00 H new ATOM 82 N PRO A 481 -6.529 -6.735 3.335 1.00 15.00 N ATOM 83 CA PRO A 481 -5.842 -7.057 4.597 1.00 15.00 C ATOM 84 C PRO A 481 -4.354 -7.424 4.419 1.00 15.00 C ATOM 85 O PRO A 481 -3.785 -8.163 5.222 1.00 15.00 O ATOM 86 CB PRO A 481 -6.626 -8.277 5.116 1.00 15.00 C ATOM 87 CG PRO A 481 -7.615 -8.636 4.046 1.00 15.00 C ATOM 88 CD PRO A 481 -7.176 -7.932 2.798 1.00 15.00 C ATOM 0 HA PRO A 481 -5.830 -6.199 5.269 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.955 -9.111 5.319 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -7.135 -8.042 6.051 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.643 -9.715 3.892 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.621 -8.328 4.330 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.488 -8.538 2.208 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -8.018 -7.685 2.151 1.00 15.00 H new ATOM 96 N GLY A 482 -3.724 -6.855 3.406 1.00 15.00 N ATOM 97 CA GLY A 482 -2.305 -7.072 3.150 1.00 15.00 C ATOM 98 C GLY A 482 -1.562 -5.855 3.542 1.00 15.00 C ATOM 99 O GLY A 482 -0.356 -5.788 3.449 1.00 15.00 O ATOM 0 H GLY A 482 -4.177 -6.231 2.738 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.946 -7.932 3.715 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -2.140 -7.292 2.095 1.00 15.00 H new ATOM 103 N TRP A 483 -2.307 -4.893 4.002 1.00 15.00 N ATOM 104 CA TRP A 483 -2.031 -3.556 3.609 1.00 15.00 C ATOM 105 C TRP A 483 -2.005 -2.555 4.715 1.00 15.00 C ATOM 106 O TRP A 483 -2.680 -2.671 5.735 1.00 15.00 O ATOM 107 CB TRP A 483 -3.059 -3.169 2.587 1.00 15.00 C ATOM 108 CG TRP A 483 -3.077 -4.105 1.436 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.893 -5.154 1.198 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.195 -4.081 0.378 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.511 -5.811 0.079 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.489 -5.158 -0.446 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.184 -3.260 0.053 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.804 -5.434 -1.562 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.491 -3.522 -1.062 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.790 -4.606 -1.876 1.00 15.00 C ATOM 0 H TRP A 483 -3.095 -5.012 4.638 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.016 -3.542 3.212 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.044 -3.148 3.053 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -2.854 -2.160 2.230 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.735 -5.430 1.816 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.936 -6.660 -0.294 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -0.937 -2.412 0.674 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -2.053 -6.282 -2.182 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.325 -2.870 -1.337 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.206 -4.786 -2.766 1.00 15.00 H new ATOM 127 N GLU A 484 -1.193 -1.569 4.454 1.00 15.00 N ATOM 128 CA GLU A 484 -1.060 -0.414 5.314 1.00 15.00 C ATOM 129 C GLU A 484 -1.222 0.832 4.459 1.00 15.00 C ATOM 130 O GLU A 484 -0.445 1.050 3.525 1.00 15.00 O ATOM 131 CB GLU A 484 0.312 -0.444 5.996 1.00 15.00 C ATOM 132 CG GLU A 484 0.543 0.596 7.074 1.00 15.00 C ATOM 133 CD GLU A 484 -0.622 0.751 8.032 1.00 15.00 C ATOM 134 OE1 GLU A 484 -1.644 1.357 7.651 1.00 15.00 O ATOM 135 OE2 GLU A 484 -0.510 0.277 9.182 1.00 15.00 O ATOM 0 H GLU A 484 -0.595 -1.539 3.628 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.822 -0.416 6.093 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.455 -1.431 6.435 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.078 -0.321 5.231 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.434 0.327 7.641 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.744 1.558 6.602 1.00 15.00 H new ATOM 142 N MET A 485 -2.230 1.639 4.756 1.00 15.00 N ATOM 143 CA MET A 485 -2.462 2.846 3.983 1.00 15.00 C ATOM 144 C MET A 485 -1.689 3.979 4.612 1.00 15.00 C ATOM 145 O MET A 485 -2.069 4.495 5.661 1.00 15.00 O ATOM 146 CB MET A 485 -3.938 3.242 3.925 1.00 15.00 C ATOM 147 CG MET A 485 -4.187 4.406 2.968 1.00 15.00 C ATOM 148 SD MET A 485 -5.362 5.630 3.594 1.00 15.00 S ATOM 149 CE MET A 485 -4.569 6.166 5.107 1.00 15.00 C ATOM 0 H MET A 485 -2.891 1.482 5.517 1.00 15.00 H new ATOM 0 HA MET A 485 -2.134 2.646 2.963 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.531 2.383 3.611 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.278 3.516 4.924 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.239 4.901 2.759 1.00 15.00 H new ATOM 0 HG3 MET A 485 -4.557 4.013 2.021 1.00 15.00 H new ATOM 0 HE1 MET A 485 -5.079 7.049 5.492 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.619 5.367 5.847 1.00 15.00 H new ATOM 0 HE3 MET A 485 -3.526 6.408 4.905 1.00 15.00 H new ATOM 159 N ARG A 486 -0.584 4.335 4.008 1.00 15.00 N ATOM 160 CA ARG A 486 0.193 5.441 4.504 1.00 15.00 C ATOM 161 C ARG A 486 0.254 6.540 3.469 1.00 15.00 C ATOM 162 O ARG A 486 0.826 6.377 2.400 1.00 15.00 O ATOM 163 CB ARG A 486 1.595 4.988 4.906 1.00 15.00 C ATOM 164 CG ARG A 486 1.608 4.060 6.109 1.00 15.00 C ATOM 165 CD ARG A 486 1.266 4.796 7.394 1.00 15.00 C ATOM 166 NE ARG A 486 2.382 5.606 7.887 1.00 15.00 N ATOM 167 CZ ARG A 486 2.251 6.629 8.732 1.00 15.00 C ATOM 168 NH1 ARG A 486 1.046 7.013 9.143 1.00 15.00 N ATOM 169 NH2 ARG A 486 3.331 7.262 9.169 1.00 15.00 N ATOM 0 H ARG A 486 -0.205 3.879 3.178 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.295 5.834 5.396 1.00 15.00 H new ATOM 0 HB2 ARG A 486 2.061 4.482 4.061 1.00 15.00 H new ATOM 0 HB3 ARG A 486 2.203 5.865 5.127 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.894 3.252 5.952 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.592 3.602 6.204 1.00 15.00 H new ATOM 0 HD2 ARG A 486 0.402 5.438 7.223 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.980 4.073 8.158 1.00 15.00 H new ATOM 0 HE ARG A 486 3.320 5.372 7.563 1.00 15.00 H new ATOM 0 HH11 ARG A 486 0.214 6.524 8.812 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.953 7.796 9.790 1.00 15.00 H new ATOM 0 HH21 ARG A 486 4.256 6.966 8.859 1.00 15.00 H new ATOM 0 HH22 ARG A 486 3.236 8.045 9.816 1.00 15.00 H new ATOM 183 N ILE A 487 -0.392 7.638 3.784 1.00 15.00 N ATOM 184 CA ILE A 487 -0.282 8.846 3.004 1.00 15.00 C ATOM 185 C ILE A 487 0.867 9.657 3.560 1.00 15.00 C ATOM 186 O ILE A 487 0.864 10.085 4.716 1.00 15.00 O ATOM 187 CB ILE A 487 -1.609 9.607 2.977 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.410 11.035 2.435 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.275 9.565 4.338 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.639 11.911 2.552 1.00 15.00 C ATOM 0 H ILE A 487 -1.010 7.718 4.591 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.067 8.616 1.960 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.292 9.114 2.286 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.587 11.506 2.973 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.115 10.978 1.387 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.217 10.112 4.299 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.468 8.529 4.617 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.620 10.024 5.078 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.420 12.900 2.150 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.459 11.464 1.990 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.924 12.000 3.600 1.00 15.00 H new ATOM 202 N ALA A 488 1.857 9.834 2.715 1.00 15.00 N ATOM 203 CA ALA A 488 3.161 10.285 3.131 1.00 15.00 C ATOM 204 C ALA A 488 3.222 11.797 3.102 1.00 15.00 C ATOM 205 O ALA A 488 2.485 12.420 2.344 1.00 15.00 O ATOM 206 CB ALA A 488 4.233 9.733 2.224 1.00 15.00 C ATOM 0 H ALA A 488 1.777 9.667 1.712 1.00 15.00 H new ATOM 0 HA ALA A 488 3.333 9.927 4.146 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.209 10.087 2.557 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.211 8.644 2.256 1.00 15.00 H new ATOM 0 HB3 ALA A 488 4.054 10.069 1.203 1.00 15.00 H new ATOM 212 N PRO A 489 4.048 12.408 3.965 1.00 15.00 N ATOM 213 CA PRO A 489 4.212 13.871 4.028 1.00 15.00 C ATOM 214 C PRO A 489 4.586 14.542 2.690 1.00 15.00 C ATOM 215 O PRO A 489 4.806 15.752 2.655 1.00 15.00 O ATOM 216 CB PRO A 489 5.345 14.057 5.043 1.00 15.00 C ATOM 217 CG PRO A 489 5.309 12.831 5.883 1.00 15.00 C ATOM 218 CD PRO A 489 4.888 11.721 4.964 1.00 15.00 C ATOM 0 HA PRO A 489 3.268 14.345 4.297 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.308 14.167 4.545 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.194 14.953 5.645 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.286 12.627 6.321 1.00 15.00 H new ATOM 0 HG3 PRO A 489 4.607 12.943 6.709 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.747 11.234 4.501 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.331 10.949 5.495 1.00 15.00 H new ATOM 226 N ASN A 490 4.674 13.781 1.596 1.00 15.00 N ATOM 227 CA ASN A 490 4.878 14.371 0.278 1.00 15.00 C ATOM 228 C ASN A 490 3.573 14.339 -0.513 1.00 15.00 C ATOM 229 O ASN A 490 3.434 14.996 -1.545 1.00 15.00 O ATOM 230 CB ASN A 490 5.976 13.634 -0.496 1.00 15.00 C ATOM 231 CG ASN A 490 5.844 12.134 -0.359 1.00 15.00 C ATOM 232 OD1 ASN A 490 4.811 11.639 0.085 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.845 11.388 -0.783 1.00 15.00 N ATOM 0 H ASN A 490 4.607 12.763 1.600 1.00 15.00 H new ATOM 0 HA ASN A 490 5.195 15.405 0.414 1.00 15.00 H new ATOM 0 HB2 ASN A 490 5.926 13.909 -1.550 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.953 13.949 -0.130 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.774 10.371 -0.747 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.690 11.828 -1.147 1.00 15.00 H new ATOM 240 N GLY A 491 2.628 13.541 -0.027 1.00 15.00 N ATOM 241 CA GLY A 491 1.370 13.370 -0.715 1.00 15.00 C ATOM 242 C GLY A 491 1.264 11.993 -1.325 1.00 15.00 C ATOM 243 O GLY A 491 0.426 11.749 -2.190 1.00 15.00 O ATOM 0 H GLY A 491 2.716 13.008 0.838 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.547 13.526 -0.018 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.274 14.125 -1.496 1.00 15.00 H new ATOM 247 N ARG A 492 2.126 11.092 -0.866 1.00 15.00 N ATOM 248 CA ARG A 492 2.196 9.742 -1.405 1.00 15.00 C ATOM 249 C ARG A 492 1.493 8.730 -0.503 1.00 15.00 C ATOM 250 O ARG A 492 2.035 8.342 0.521 1.00 15.00 O ATOM 251 CB ARG A 492 3.657 9.312 -1.559 1.00 15.00 C ATOM 252 CG ARG A 492 4.481 10.183 -2.481 1.00 15.00 C ATOM 253 CD ARG A 492 5.606 9.420 -3.152 1.00 15.00 C ATOM 254 NE ARG A 492 6.448 10.284 -3.986 1.00 15.00 N ATOM 255 CZ ARG A 492 7.495 9.846 -4.691 1.00 15.00 C ATOM 256 NH1 ARG A 492 7.810 8.558 -4.682 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.217 10.692 -5.419 1.00 15.00 N ATOM 0 H ARG A 492 2.791 11.277 -0.115 1.00 15.00 H new ATOM 0 HA ARG A 492 1.694 9.760 -2.373 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.125 9.305 -0.574 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.682 8.288 -1.931 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.833 10.613 -3.244 1.00 15.00 H new ATOM 0 HG3 ARG A 492 4.899 11.014 -1.913 1.00 15.00 H new ATOM 0 HD2 ARG A 492 6.222 8.942 -2.390 1.00 15.00 H new ATOM 0 HD3 ARG A 492 5.186 8.624 -3.767 1.00 15.00 H new ATOM 0 HE ARG A 492 6.221 11.277 -4.030 1.00 15.00 H new ATOM 0 HH11 ARG A 492 7.253 7.900 -4.136 1.00 15.00 H new ATOM 0 HH12 ARG A 492 8.610 8.225 -5.221 1.00 15.00 H new ATOM 0 HH21 ARG A 492 7.973 11.682 -5.442 1.00 15.00 H new ATOM 0 HH22 ARG A 492 9.015 10.351 -5.955 1.00 15.00 H new ATOM 271 N PRO A 493 0.269 8.315 -0.840 1.00 15.00 N ATOM 272 CA PRO A 493 -0.390 7.192 -0.183 1.00 15.00 C ATOM 273 C PRO A 493 -0.067 5.898 -0.867 1.00 15.00 C ATOM 274 O PRO A 493 -0.579 5.576 -1.941 1.00 15.00 O ATOM 275 CB PRO A 493 -1.882 7.542 -0.292 1.00 15.00 C ATOM 276 CG PRO A 493 -1.891 8.918 -0.867 1.00 15.00 C ATOM 277 CD PRO A 493 -0.664 8.980 -1.729 1.00 15.00 C ATOM 0 HA PRO A 493 -0.069 7.050 0.849 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.411 6.838 -0.934 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.370 7.514 0.682 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.794 9.097 -1.450 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.863 9.675 -0.083 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.788 8.457 -2.677 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.366 10.002 -1.965 1.00 15.00 H new ATOM 285 N PHE A 494 0.849 5.189 -0.236 1.00 15.00 N ATOM 286 CA PHE A 494 1.375 3.986 -0.775 1.00 15.00 C ATOM 287 C PHE A 494 0.444 2.916 -0.233 1.00 15.00 C ATOM 288 O PHE A 494 0.262 2.836 0.985 1.00 15.00 O ATOM 289 CB PHE A 494 2.747 3.677 -0.178 1.00 15.00 C ATOM 290 CG PHE A 494 3.555 4.863 0.281 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.393 5.286 1.587 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.486 5.519 -0.505 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.111 6.309 2.101 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.208 6.580 0.016 1.00 15.00 C ATOM 295 CZ PHE A 494 5.019 6.967 1.322 1.00 15.00 C ATOM 0 H PHE A 494 1.240 5.448 0.670 1.00 15.00 H new ATOM 0 HA PHE A 494 1.458 4.043 -1.860 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.608 3.008 0.671 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.329 3.133 -0.921 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.672 4.784 2.215 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.650 5.204 -1.525 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.966 6.606 3.129 1.00 15.00 H new ATOM 0 HE2 PHE A 494 5.920 7.104 -0.604 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.587 7.789 1.731 1.00 15.00 H new ATOM 305 N PHE A 495 -0.154 2.115 -1.064 1.00 15.00 N ATOM 306 CA PHE A 495 -0.912 1.004 -0.545 1.00 15.00 C ATOM 307 C PHE A 495 0.078 -0.170 -0.439 1.00 15.00 C ATOM 308 O PHE A 495 0.449 -0.742 -1.461 1.00 15.00 O ATOM 309 CB PHE A 495 -2.067 0.647 -1.485 1.00 15.00 C ATOM 310 CG PHE A 495 -3.001 1.795 -1.744 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.478 2.566 -0.697 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.399 2.104 -3.031 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.330 3.626 -0.931 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.253 3.161 -3.272 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.718 3.924 -2.219 1.00 15.00 C ATOM 0 H PHE A 495 -0.137 2.201 -2.080 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.355 1.244 0.422 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.659 0.299 -2.434 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.631 -0.182 -1.057 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -3.180 2.335 0.315 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -3.037 1.511 -3.858 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -4.692 4.221 -0.106 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -4.557 3.391 -4.282 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.385 4.753 -2.405 1.00 15.00 H new ATOM 325 N TYR A 496 0.593 -0.476 0.756 1.00 15.00 N ATOM 326 CA TYR A 496 1.718 -1.426 0.852 1.00 15.00 C ATOM 327 C TYR A 496 1.329 -2.781 1.471 1.00 15.00 C ATOM 328 O TYR A 496 0.759 -2.849 2.563 1.00 15.00 O ATOM 329 CB TYR A 496 2.905 -0.770 1.582 1.00 15.00 C ATOM 330 CG TYR A 496 3.829 -1.738 2.311 1.00 15.00 C ATOM 331 CD1 TYR A 496 4.876 -2.376 1.651 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.667 -1.997 3.666 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.720 -3.240 2.321 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.513 -2.858 4.338 1.00 15.00 C ATOM 335 CZ TYR A 496 5.535 -3.474 3.661 1.00 15.00 C ATOM 336 OH TYR A 496 6.380 -4.324 4.329 1.00 15.00 O ATOM 0 H TYR A 496 0.267 -0.098 1.645 1.00 15.00 H new ATOM 0 HA TYR A 496 2.025 -1.664 -0.166 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.493 -0.208 0.856 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.516 -0.051 2.303 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.031 -2.192 0.598 1.00 15.00 H new ATOM 0 HD2 TYR A 496 2.864 -1.516 4.205 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.524 -3.730 1.792 1.00 15.00 H new ATOM 0 HE2 TYR A 496 4.370 -3.045 5.392 1.00 15.00 H new ATOM 0 HH TYR A 496 6.112 -4.379 5.270 1.00 15.00 H new ATOM 346 N ASP A 497 1.699 -3.856 0.753 1.00 15.00 N ATOM 347 CA ASP A 497 1.314 -5.243 1.075 1.00 15.00 C ATOM 348 C ASP A 497 2.379 -5.828 2.011 1.00 15.00 C ATOM 349 O ASP A 497 3.564 -5.582 1.804 1.00 15.00 O ATOM 350 CB ASP A 497 1.332 -6.095 -0.192 1.00 15.00 C ATOM 351 CG ASP A 497 0.936 -7.532 0.085 1.00 15.00 C ATOM 352 OD1 ASP A 497 -0.278 -7.813 0.169 1.00 15.00 O ATOM 353 OD2 ASP A 497 1.839 -8.378 0.235 1.00 15.00 O ATOM 0 H ASP A 497 2.283 -3.785 -0.080 1.00 15.00 H new ATOM 0 HA ASP A 497 0.321 -5.244 1.525 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.651 -5.666 -0.927 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.330 -6.072 -0.630 1.00 15.00 H new ATOM 358 N HIS A 498 1.991 -6.620 2.997 1.00 15.00 N ATOM 359 CA HIS A 498 2.945 -7.109 3.997 1.00 15.00 C ATOM 360 C HIS A 498 3.356 -8.550 3.723 1.00 15.00 C ATOM 361 O HIS A 498 4.169 -9.118 4.447 1.00 15.00 O ATOM 362 CB HIS A 498 2.357 -6.994 5.409 1.00 15.00 C ATOM 363 CG HIS A 498 2.051 -5.587 5.814 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.529 -4.667 4.941 1.00 15.00 N ATOM 365 CD2 HIS A 498 2.188 -4.939 6.993 1.00 15.00 C ATOM 366 CE1 HIS A 498 1.354 -3.531 5.543 1.00 15.00 C ATOM 367 NE2 HIS A 498 1.743 -3.654 6.798 1.00 15.00 N ATOM 0 H HIS A 498 1.032 -6.940 3.132 1.00 15.00 H new ATOM 0 HA HIS A 498 3.835 -6.483 3.929 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.444 -7.586 5.463 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.059 -7.425 6.123 1.00 15.00 H new ATOM 0 HD2 HIS A 498 2.574 -5.353 7.913 1.00 15.00 H new ATOM 0 HE1 HIS A 498 0.956 -2.634 5.092 1.00 15.00 H new ATOM 0 HE2 HIS A 498 1.718 -2.919 7.504 1.00 15.00 H new ATOM 376 N ASN A 499 2.803 -9.138 2.673 1.00 15.00 N ATOM 377 CA ASN A 499 3.130 -10.513 2.323 1.00 15.00 C ATOM 378 C ASN A 499 4.295 -10.529 1.348 1.00 15.00 C ATOM 379 O ASN A 499 5.287 -11.227 1.558 1.00 15.00 O ATOM 380 CB ASN A 499 1.921 -11.242 1.712 1.00 15.00 C ATOM 381 CG ASN A 499 0.837 -11.585 2.725 1.00 15.00 C ATOM 382 OD1 ASN A 499 0.676 -10.760 3.749 1.00 15.00 O flip ATOM 383 ND2 ASN A 499 0.138 -12.585 2.576 1.00 15.00 N flip ATOM 0 H ASN A 499 2.130 -8.689 2.052 1.00 15.00 H new ATOM 0 HA ASN A 499 3.409 -11.039 3.236 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.490 -10.619 0.929 1.00 15.00 H new ATOM 0 HB3 ASN A 499 2.264 -12.160 1.236 1.00 15.00 H new ATOM 0 HD21 ASN A 499 0.290 -13.199 1.775 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.594 -12.801 3.253 1.00 15.00 H new ATOM 390 N THR A 500 4.171 -9.738 0.289 1.00 15.00 N ATOM 391 CA THR A 500 5.223 -9.617 -0.708 1.00 15.00 C ATOM 392 C THR A 500 6.039 -8.338 -0.467 1.00 15.00 C ATOM 393 O THR A 500 6.961 -8.022 -1.222 1.00 15.00 O ATOM 394 CB THR A 500 4.623 -9.601 -2.135 1.00 15.00 C ATOM 395 OG1 THR A 500 3.589 -10.590 -2.237 1.00 15.00 O ATOM 396 CG2 THR A 500 5.685 -9.889 -3.187 1.00 15.00 C ATOM 0 H THR A 500 3.346 -9.168 0.100 1.00 15.00 H new ATOM 0 HA THR A 500 5.882 -10.481 -0.618 1.00 15.00 H new ATOM 0 HB THR A 500 4.215 -8.606 -2.314 1.00 15.00 H new ATOM 0 HG1 THR A 500 3.211 -10.576 -3.141 1.00 15.00 H new ATOM 0 HG21 THR A 500 5.230 -9.870 -4.178 1.00 15.00 H new ATOM 0 HG22 THR A 500 6.467 -9.131 -3.132 1.00 15.00 H new ATOM 0 HG23 THR A 500 6.120 -10.872 -3.006 1.00 15.00 H new ATOM 404 N LYS A 501 5.687 -7.614 0.603 1.00 15.00 N ATOM 405 CA LYS A 501 6.369 -6.363 0.975 1.00 15.00 C ATOM 406 C LYS A 501 6.317 -5.368 -0.178 1.00 15.00 C ATOM 407 O LYS A 501 7.255 -4.599 -0.401 1.00 15.00 O ATOM 408 CB LYS A 501 7.832 -6.611 1.377 1.00 15.00 C ATOM 409 CG LYS A 501 8.007 -7.466 2.628 1.00 15.00 C ATOM 410 CD LYS A 501 7.755 -8.938 2.352 1.00 15.00 C ATOM 411 CE LYS A 501 7.803 -9.764 3.623 1.00 15.00 C ATOM 412 NZ LYS A 501 7.542 -11.201 3.354 1.00 15.00 N ATOM 0 H LYS A 501 4.928 -7.874 1.232 1.00 15.00 H new ATOM 0 HA LYS A 501 5.845 -5.950 1.837 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.347 -7.094 0.547 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.319 -5.649 1.538 1.00 15.00 H new ATOM 0 HG2 LYS A 501 9.018 -7.338 3.016 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.322 -7.120 3.402 1.00 15.00 H new ATOM 0 HD2 LYS A 501 6.781 -9.058 1.877 1.00 15.00 H new ATOM 0 HD3 LYS A 501 8.500 -9.309 1.649 1.00 15.00 H new ATOM 0 HE2 LYS A 501 8.781 -9.653 4.092 1.00 15.00 H new ATOM 0 HE3 LYS A 501 7.065 -9.386 4.331 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 7.331 -11.689 4.248 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 6.730 -11.292 2.710 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.382 -11.630 2.915 1.00 15.00 H new ATOM 426 N THR A 502 5.191 -5.351 -0.868 1.00 15.00 N ATOM 427 CA THR A 502 5.053 -4.569 -2.079 1.00 15.00 C ATOM 428 C THR A 502 4.513 -3.173 -1.789 1.00 15.00 C ATOM 429 O THR A 502 3.394 -3.017 -1.307 1.00 15.00 O ATOM 430 CB THR A 502 4.117 -5.281 -3.074 1.00 15.00 C ATOM 431 OG1 THR A 502 4.580 -6.621 -3.292 1.00 15.00 O ATOM 432 CG2 THR A 502 4.062 -4.538 -4.402 1.00 15.00 C ATOM 0 H THR A 502 4.355 -5.874 -0.607 1.00 15.00 H new ATOM 0 HA THR A 502 6.047 -4.470 -2.515 1.00 15.00 H new ATOM 0 HB THR A 502 3.113 -5.299 -2.649 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.984 -7.074 -3.924 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.394 -5.063 -5.085 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.691 -3.526 -4.238 1.00 15.00 H new ATOM 0 HG23 THR A 502 5.061 -4.492 -4.835 1.00 15.00 H new ATOM 440 N THR A 503 5.319 -2.165 -2.077 1.00 15.00 N ATOM 441 CA THR A 503 4.860 -0.791 -2.033 1.00 15.00 C ATOM 442 C THR A 503 4.312 -0.417 -3.404 1.00 15.00 C ATOM 443 O THR A 503 5.027 -0.498 -4.403 1.00 15.00 O ATOM 444 CB THR A 503 6.008 0.169 -1.651 1.00 15.00 C ATOM 445 OG1 THR A 503 7.217 -0.235 -2.305 1.00 15.00 O ATOM 446 CG2 THR A 503 6.229 0.195 -0.149 1.00 15.00 C ATOM 0 H THR A 503 6.297 -2.275 -2.344 1.00 15.00 H new ATOM 0 HA THR A 503 4.082 -0.701 -1.274 1.00 15.00 H new ATOM 0 HB THR A 503 5.729 1.172 -1.974 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.942 0.378 -2.061 1.00 15.00 H new ATOM 0 HG21 THR A 503 7.043 0.880 0.087 1.00 15.00 H new ATOM 0 HG22 THR A 503 5.318 0.530 0.347 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.484 -0.806 0.199 1.00 15.00 H new ATOM 454 N THR A 504 3.044 -0.051 -3.467 1.00 15.00 N ATOM 455 CA THR A 504 2.414 0.223 -4.744 1.00 15.00 C ATOM 456 C THR A 504 1.508 1.444 -4.652 1.00 15.00 C ATOM 457 O THR A 504 0.984 1.760 -3.587 1.00 15.00 O ATOM 458 CB THR A 504 1.607 -1.008 -5.226 1.00 15.00 C ATOM 459 OG1 THR A 504 1.413 -0.954 -6.646 1.00 15.00 O ATOM 460 CG2 THR A 504 0.253 -1.103 -4.537 1.00 15.00 C ATOM 0 H THR A 504 2.436 0.062 -2.656 1.00 15.00 H new ATOM 0 HA THR A 504 3.199 0.433 -5.470 1.00 15.00 H new ATOM 0 HB THR A 504 2.186 -1.894 -4.966 1.00 15.00 H new ATOM 0 HG1 THR A 504 0.903 -1.739 -6.937 1.00 15.00 H new ATOM 0 HG21 THR A 504 -0.281 -1.980 -4.903 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.398 -1.190 -3.460 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.329 -0.207 -4.753 1.00 15.00 H new ATOM 468 N TRP A 505 1.367 2.153 -5.757 1.00 15.00 N ATOM 469 CA TRP A 505 0.411 3.238 -5.829 1.00 15.00 C ATOM 470 C TRP A 505 -0.850 2.731 -6.509 1.00 15.00 C ATOM 471 O TRP A 505 -1.903 3.369 -6.467 1.00 15.00 O ATOM 472 CB TRP A 505 0.950 4.419 -6.628 1.00 15.00 C ATOM 473 CG TRP A 505 2.398 4.740 -6.410 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.412 4.516 -7.299 1.00 15.00 C ATOM 475 CD2 TRP A 505 2.999 5.364 -5.263 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.599 4.971 -6.789 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.374 5.499 -5.549 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.524 5.832 -4.023 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.264 6.080 -4.659 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.414 6.402 -3.155 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.765 6.527 -3.474 1.00 15.00 C ATOM 0 H TRP A 505 1.900 1.997 -6.612 1.00 15.00 H new ATOM 0 HA TRP A 505 0.208 3.578 -4.813 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.796 4.218 -7.688 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.359 5.301 -6.382 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.294 4.047 -8.265 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.503 4.923 -7.258 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.480 5.743 -3.763 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.313 6.174 -4.897 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.062 6.764 -2.200 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.433 6.990 -2.763 1.00 15.00 H new ATOM 492 N GLU A 506 -0.708 1.594 -7.181 1.00 15.00 N ATOM 493 CA GLU A 506 -1.810 0.973 -7.888 1.00 15.00 C ATOM 494 C GLU A 506 -2.762 0.324 -6.901 1.00 15.00 C ATOM 495 O GLU A 506 -2.352 -0.122 -5.834 1.00 15.00 O ATOM 496 CB GLU A 506 -1.287 -0.062 -8.884 1.00 15.00 C ATOM 497 CG GLU A 506 -0.368 0.529 -9.940 1.00 15.00 C ATOM 498 CD GLU A 506 -0.001 -0.464 -11.018 1.00 15.00 C ATOM 499 OE1 GLU A 506 0.774 -1.403 -10.732 1.00 15.00 O ATOM 500 OE2 GLU A 506 -0.474 -0.307 -12.162 1.00 15.00 O ATOM 0 H GLU A 506 0.172 1.083 -7.248 1.00 15.00 H new ATOM 0 HA GLU A 506 -2.350 1.741 -8.441 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.751 -0.840 -8.341 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -2.133 -0.542 -9.376 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -0.854 1.391 -10.397 1.00 15.00 H new ATOM 0 HG3 GLU A 506 0.542 0.892 -9.462 1.00 15.00 H new ATOM 507 N ASP A 507 -4.029 0.271 -7.270 1.00 15.00 N ATOM 508 CA ASP A 507 -5.064 -0.241 -6.387 1.00 15.00 C ATOM 509 C ASP A 507 -4.803 -1.693 -5.993 1.00 15.00 C ATOM 510 O ASP A 507 -4.871 -2.598 -6.804 1.00 15.00 O ATOM 511 CB ASP A 507 -6.434 -0.098 -7.050 1.00 15.00 C ATOM 512 CG ASP A 507 -7.557 -0.508 -6.129 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.903 -1.702 -6.112 1.00 15.00 O ATOM 514 OD2 ASP A 507 -8.094 0.364 -5.414 1.00 15.00 O ATOM 0 H ASP A 507 -4.369 0.578 -8.181 1.00 15.00 H new ATOM 0 HA ASP A 507 -5.048 0.350 -5.471 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.580 0.937 -7.360 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.465 -0.709 -7.952 1.00 15.00 H new ATOM 519 N PRO A 508 -4.537 -1.903 -4.704 1.00 15.00 N ATOM 520 CA PRO A 508 -4.165 -3.203 -4.103 1.00 15.00 C ATOM 521 C PRO A 508 -5.337 -4.105 -3.957 1.00 15.00 C ATOM 522 O PRO A 508 -5.221 -5.266 -3.586 1.00 15.00 O ATOM 523 CB PRO A 508 -3.646 -2.791 -2.744 1.00 15.00 C ATOM 524 CG PRO A 508 -4.502 -1.636 -2.403 1.00 15.00 C ATOM 525 CD PRO A 508 -4.618 -0.857 -3.672 1.00 15.00 C ATOM 0 HA PRO A 508 -3.451 -3.761 -4.709 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -3.741 -3.595 -2.014 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.592 -2.517 -2.780 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -5.480 -1.960 -2.047 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -4.057 -1.035 -1.610 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.558 -0.308 -3.725 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -3.816 -0.126 -3.773 1.00 15.00 H new ATOM 533 N ARG A 509 -6.475 -3.540 -4.197 1.00 15.00 N ATOM 534 CA ARG A 509 -7.687 -4.208 -4.003 1.00 15.00 C ATOM 535 C ARG A 509 -7.843 -5.049 -5.232 1.00 15.00 C ATOM 536 O ARG A 509 -8.734 -5.884 -5.356 1.00 15.00 O ATOM 537 CB ARG A 509 -8.774 -3.188 -3.735 1.00 15.00 C ATOM 538 CG ARG A 509 -8.234 -2.049 -2.865 1.00 15.00 C ATOM 539 CD ARG A 509 -9.320 -1.056 -2.502 1.00 15.00 C ATOM 540 NE ARG A 509 -9.921 -0.469 -3.693 1.00 15.00 N ATOM 541 CZ ARG A 509 -11.222 -0.246 -3.849 1.00 15.00 C ATOM 542 NH1 ARG A 509 -12.071 -0.513 -2.860 1.00 15.00 N ATOM 543 NH2 ARG A 509 -11.669 0.256 -4.991 1.00 15.00 N ATOM 0 H ARG A 509 -6.573 -2.584 -4.539 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.737 -4.863 -3.133 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.147 -2.788 -4.678 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.616 -3.667 -3.236 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.799 -2.462 -1.955 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.433 -1.534 -3.396 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.089 -1.555 -1.912 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.901 -0.267 -1.877 1.00 15.00 H new ATOM 0 HE ARG A 509 -9.300 -0.211 -4.460 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.724 -0.890 -1.978 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -13.069 -0.340 -2.984 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -11.016 0.469 -5.745 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -12.666 0.429 -5.116 1.00 15.00 H new ATOM 557 N LEU A 510 -6.938 -4.770 -6.177 1.00 15.00 N ATOM 558 CA LEU A 510 -6.850 -5.564 -7.361 1.00 15.00 C ATOM 559 C LEU A 510 -6.400 -6.983 -6.982 1.00 15.00 C ATOM 560 O LEU A 510 -6.630 -7.960 -7.697 1.00 15.00 O ATOM 561 CB LEU A 510 -5.894 -4.958 -8.420 1.00 15.00 C ATOM 562 CG LEU A 510 -4.375 -5.179 -8.205 1.00 15.00 C ATOM 563 CD1 LEU A 510 -3.923 -6.543 -8.713 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.563 -4.093 -8.892 1.00 15.00 C ATOM 0 H LEU A 510 -6.270 -4.001 -6.126 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.839 -5.591 -7.819 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.162 -5.370 -9.393 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.077 -3.884 -8.467 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.201 -5.135 -7.130 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -2.852 -6.658 -8.543 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.461 -7.327 -8.179 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.132 -6.621 -9.780 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.501 -4.272 -8.725 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.770 -4.106 -9.962 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -3.836 -3.121 -8.482 1.00 15.00 H new ATOM 576 N LYS A 511 -5.719 -7.037 -5.844 1.00 15.00 N ATOM 577 CA LYS A 511 -5.096 -8.238 -5.298 1.00 15.00 C ATOM 578 C LYS A 511 -6.137 -9.170 -4.674 1.00 15.00 C ATOM 579 O LYS A 511 -5.840 -10.306 -4.309 1.00 15.00 O ATOM 580 CB LYS A 511 -4.018 -7.798 -4.290 1.00 15.00 C ATOM 581 CG LYS A 511 -3.421 -8.887 -3.419 1.00 15.00 C ATOM 582 CD LYS A 511 -3.986 -8.842 -2.006 1.00 15.00 C ATOM 583 CE LYS A 511 -3.172 -9.722 -1.060 1.00 15.00 C ATOM 584 NZ LYS A 511 -1.699 -9.520 -1.192 1.00 15.00 N ATOM 0 H LYS A 511 -5.580 -6.217 -5.254 1.00 15.00 H new ATOM 0 HA LYS A 511 -4.625 -8.816 -6.093 1.00 15.00 H new ATOM 0 HB2 LYS A 511 -3.209 -7.321 -4.843 1.00 15.00 H new ATOM 0 HB3 LYS A 511 -4.450 -7.038 -3.638 1.00 15.00 H new ATOM 0 HG2 LYS A 511 -3.624 -9.862 -3.863 1.00 15.00 H new ATOM 0 HG3 LYS A 511 -2.338 -8.773 -3.383 1.00 15.00 H new ATOM 0 HD2 LYS A 511 -3.985 -7.814 -1.643 1.00 15.00 H new ATOM 0 HD3 LYS A 511 -5.024 -9.175 -2.015 1.00 15.00 H new ATOM 0 HE2 LYS A 511 -3.470 -9.513 -0.033 1.00 15.00 H new ATOM 0 HE3 LYS A 511 -3.408 -10.768 -1.254 1.00 15.00 H new ATOM 0 HZ1 LYS A 511 -1.202 -10.144 -0.525 1.00 15.00 H new ATOM 0 HZ2 LYS A 511 -1.403 -9.745 -2.163 1.00 15.00 H new ATOM 0 HZ3 LYS A 511 -1.464 -8.529 -0.980 1.00 15.00 H new ATOM 598 N PHE A 512 -7.364 -8.666 -4.553 1.00 15.00 N ATOM 599 CA PHE A 512 -8.468 -9.377 -3.877 1.00 15.00 C ATOM 600 C PHE A 512 -8.664 -10.886 -4.126 1.00 15.00 C ATOM 601 O PHE A 512 -8.987 -11.642 -3.212 1.00 15.00 O ATOM 602 CB PHE A 512 -9.776 -8.609 -4.008 1.00 15.00 C ATOM 603 CG PHE A 512 -9.918 -7.582 -2.935 1.00 15.00 C ATOM 604 CD1 PHE A 512 -8.863 -6.733 -2.615 1.00 15.00 C ATOM 605 CD2 PHE A 512 -11.099 -7.481 -2.218 1.00 15.00 C ATOM 606 CE1 PHE A 512 -8.999 -5.816 -1.613 1.00 15.00 C ATOM 607 CE2 PHE A 512 -11.235 -6.549 -1.209 1.00 15.00 C ATOM 608 CZ PHE A 512 -10.182 -5.715 -0.905 1.00 15.00 C ATOM 0 H PHE A 512 -7.630 -7.752 -4.919 1.00 15.00 H new ATOM 0 HA PHE A 512 -8.118 -9.388 -2.845 1.00 15.00 H new ATOM 0 HB2 PHE A 512 -9.819 -8.125 -4.984 1.00 15.00 H new ATOM 0 HB3 PHE A 512 -10.614 -9.305 -3.960 1.00 15.00 H new ATOM 0 HD1 PHE A 512 -7.934 -6.800 -3.161 1.00 15.00 H new ATOM 0 HD2 PHE A 512 -11.923 -8.139 -2.451 1.00 15.00 H new ATOM 0 HE1 PHE A 512 -8.174 -5.163 -1.371 1.00 15.00 H new ATOM 0 HE2 PHE A 512 -12.162 -6.474 -0.661 1.00 15.00 H new ATOM 0 HZ PHE A 512 -10.280 -4.984 -0.116 1.00 15.00 H new ATOM 618 N PRO A 513 -8.504 -11.284 -5.348 1.00 15.00 N ATOM 619 CA PRO A 513 -8.492 -12.668 -5.831 1.00 15.00 C ATOM 620 C PRO A 513 -7.572 -13.578 -5.001 1.00 15.00 C ATOM 621 O PRO A 513 -7.560 -14.795 -5.176 1.00 15.00 O ATOM 622 CB PRO A 513 -7.992 -12.511 -7.269 1.00 15.00 C ATOM 623 CG PRO A 513 -8.392 -11.117 -7.645 1.00 15.00 C ATOM 624 CD PRO A 513 -8.338 -10.329 -6.366 1.00 15.00 C ATOM 0 HA PRO A 513 -9.466 -13.151 -5.756 1.00 15.00 H new ATOM 0 HB2 PRO A 513 -6.912 -12.647 -7.333 1.00 15.00 H new ATOM 0 HB3 PRO A 513 -8.446 -13.248 -7.931 1.00 15.00 H new ATOM 0 HG2 PRO A 513 -7.715 -10.702 -8.392 1.00 15.00 H new ATOM 0 HG3 PRO A 513 -9.393 -11.098 -8.077 1.00 15.00 H new ATOM 0 HD2 PRO A 513 -7.388 -9.804 -6.265 1.00 15.00 H new ATOM 0 HD3 PRO A 513 -9.124 -9.575 -6.333 1.00 15.00 H new ATOM 632 N VAL A 514 -6.785 -12.955 -4.115 1.00 15.00 N ATOM 633 CA VAL A 514 -5.913 -13.651 -3.167 1.00 15.00 C ATOM 634 C VAL A 514 -6.683 -14.600 -2.256 1.00 15.00 C ATOM 635 O VAL A 514 -6.117 -15.417 -1.526 1.00 15.00 O ATOM 636 CB VAL A 514 -5.079 -12.636 -2.329 1.00 15.00 C ATOM 637 CG1 VAL A 514 -5.949 -11.846 -1.346 1.00 15.00 C ATOM 638 CG2 VAL A 514 -3.935 -13.334 -1.610 1.00 15.00 C ATOM 0 H VAL A 514 -6.737 -11.939 -4.037 1.00 15.00 H new ATOM 0 HA VAL A 514 -5.229 -14.261 -3.757 1.00 15.00 H new ATOM 0 HB VAL A 514 -4.654 -11.915 -3.028 1.00 15.00 H new ATOM 0 HG11 VAL A 514 -5.324 -11.151 -0.784 1.00 15.00 H new ATOM 0 HG12 VAL A 514 -6.706 -11.289 -1.897 1.00 15.00 H new ATOM 0 HG13 VAL A 514 -6.436 -12.535 -0.656 1.00 15.00 H new ATOM 0 HG21 VAL A 514 -3.369 -12.603 -1.032 1.00 15.00 H new ATOM 0 HG22 VAL A 514 -4.336 -14.094 -0.940 1.00 15.00 H new ATOM 0 HG23 VAL A 514 -3.279 -13.805 -2.342 1.00 15.00 H new ATOM 648 N HIS A 515 -7.968 -14.481 -2.339 1.00 15.00 N ATOM 649 CA HIS A 515 -8.893 -15.292 -1.553 1.00 15.00 C ATOM 650 C HIS A 515 -9.513 -16.366 -2.435 1.00 15.00 C ATOM 651 O HIS A 515 -8.914 -17.452 -2.564 1.00 15.00 O ATOM 652 CB HIS A 515 -10.000 -14.431 -0.935 1.00 15.00 C ATOM 653 CG HIS A 515 -9.486 -13.318 -0.081 1.00 15.00 C ATOM 654 ND1 HIS A 515 -9.513 -12.004 -0.479 1.00 15.00 N ATOM 655 CD2 HIS A 515 -8.902 -13.331 1.138 1.00 15.00 C ATOM 656 CE1 HIS A 515 -8.959 -11.254 0.452 1.00 15.00 C ATOM 657 NE2 HIS A 515 -8.581 -12.032 1.449 1.00 15.00 N ATOM 658 OXT HIS A 515 -10.587 -16.109 -3.019 1.00 15.00 O ATOM 0 H HIS A 515 -8.429 -13.814 -2.958 1.00 15.00 H new ATOM 0 HA HIS A 515 -8.331 -15.758 -0.744 1.00 15.00 H new ATOM 0 HB2 HIS A 515 -10.612 -14.012 -1.734 1.00 15.00 H new ATOM 0 HB3 HIS A 515 -10.651 -15.067 -0.335 1.00 15.00 H new ATOM 0 HD1 HIS A 515 -9.901 -11.662 -1.358 1.00 15.00 H new ATOM 0 HD2 HIS A 515 -8.721 -14.200 1.753 1.00 15.00 H new ATOM 0 HE1 HIS A 515 -8.835 -10.182 0.407 1.00 15.00 H new TER 667 HIS A 515 ATOM 668 N ALA B 202 8.548 4.409 10.654 1.00 15.00 N ATOM 669 CA ALA B 202 9.592 3.362 10.726 1.00 15.00 C ATOM 670 C ALA B 202 9.026 1.990 10.367 1.00 15.00 C ATOM 671 O ALA B 202 9.531 1.323 9.464 1.00 15.00 O ATOM 672 CB ALA B 202 10.213 3.330 12.116 1.00 15.00 C ATOM 0 HA ALA B 202 10.365 3.608 9.998 1.00 15.00 H new ATOM 0 HB1 ALA B 202 10.979 2.555 12.155 1.00 15.00 H new ATOM 0 HB2 ALA B 202 10.664 4.298 12.335 1.00 15.00 H new ATOM 0 HB3 ALA B 202 9.441 3.114 12.855 1.00 15.00 H new ATOM 680 N GLY B 203 7.972 1.578 11.075 1.00 15.00 N ATOM 681 CA GLY B 203 7.381 0.269 10.845 1.00 15.00 C ATOM 682 C GLY B 203 6.154 0.348 9.961 1.00 15.00 C ATOM 683 O GLY B 203 5.295 -0.537 9.973 1.00 15.00 O ATOM 0 H GLY B 203 7.518 2.129 11.804 1.00 15.00 H new ATOM 0 HA2 GLY B 203 8.119 -0.386 10.383 1.00 15.00 H new ATOM 0 HA3 GLY B 203 7.111 -0.180 11.801 1.00 15.00 H new HETATM 687 N SEP B 204 6.074 1.421 9.203 1.00 15.00 N HETATM 688 CA SEP B 204 4.977 1.656 8.290 1.00 15.00 C HETATM 689 CB SEP B 204 4.148 2.833 8.800 1.00 15.00 C HETATM 690 OG SEP B 204 4.944 3.720 9.565 1.00 15.00 O HETATM 691 C SEP B 204 5.527 1.926 6.894 1.00 15.00 C HETATM 692 O SEP B 204 6.666 2.360 6.737 1.00 15.00 O HETATM 693 P SEP B 204 5.778 4.956 8.928 1.00 15.00 P HETATM 694 O1P SEP B 204 5.042 5.477 7.774 1.00 15.00 O HETATM 695 O2P SEP B 204 5.911 5.985 9.960 1.00 15.00 O HETATM 696 O3P SEP B 204 7.095 4.464 8.537 1.00 15.00 O HETATM 0 HB3 SEP B 204 3.710 3.367 7.956 1.00 15.00 H new HETATM 0 HB2 SEP B 204 3.321 2.464 9.407 1.00 15.00 H new HETATM 0 HA SEP B 204 4.333 0.778 8.235 1.00 15.00 H new ATOM 701 N PRO B 205 4.743 1.622 5.865 1.00 15.00 N ATOM 702 CA PRO B 205 5.105 1.939 4.490 1.00 15.00 C ATOM 703 C PRO B 205 5.312 3.430 4.254 1.00 15.00 C ATOM 704 O PRO B 205 4.355 4.181 4.132 1.00 15.00 O ATOM 705 CB PRO B 205 3.904 1.469 3.666 1.00 15.00 C ATOM 706 CG PRO B 205 2.842 1.063 4.634 1.00 15.00 C ATOM 707 CD PRO B 205 3.503 0.853 5.957 1.00 15.00 C ATOM 0 HA PRO B 205 6.049 1.462 4.226 1.00 15.00 H new ATOM 0 HB2 PRO B 205 3.547 2.267 3.015 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.180 0.633 3.024 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.074 1.833 4.706 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.348 0.150 4.302 1.00 15.00 H new ATOM 0 HD2 PRO B 205 2.876 1.205 6.776 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.702 -0.203 6.140 1.00 15.00 H new ATOM 715 N ASN B 206 6.565 3.859 4.273 1.00 15.00 N ATOM 716 CA ASN B 206 6.919 5.211 3.850 1.00 15.00 C ATOM 717 C ASN B 206 7.895 5.163 2.680 1.00 15.00 C ATOM 718 O ASN B 206 8.144 6.166 2.020 1.00 15.00 O ATOM 719 CB ASN B 206 7.477 6.029 5.019 1.00 15.00 C ATOM 720 CG ASN B 206 7.843 7.460 4.651 1.00 15.00 C ATOM 721 OD1 ASN B 206 7.043 8.094 3.804 1.00 15.00 O flip ATOM 722 ND2 ASN B 206 8.829 8.001 5.152 1.00 15.00 N flip ATOM 0 H ASN B 206 7.356 3.292 4.577 1.00 15.00 H new ATOM 0 HA ASN B 206 6.013 5.714 3.511 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.739 6.048 5.821 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.362 5.527 5.411 1.00 15.00 H new ATOM 0 HD21 ASN B 206 9.422 7.482 5.800 1.00 15.00 H new ATOM 0 HD22 ASN B 206 9.053 8.968 4.919 1.00 15.00 H new ATOM 729 N LEU B 207 8.474 3.992 2.455 1.00 15.00 N ATOM 730 CA LEU B 207 9.371 3.786 1.326 1.00 15.00 C ATOM 731 C LEU B 207 8.611 3.930 0.004 1.00 15.00 C ATOM 732 O LEU B 207 7.799 3.077 -0.364 1.00 15.00 O ATOM 733 CB LEU B 207 10.072 2.416 1.409 1.00 15.00 C ATOM 734 CG LEU B 207 9.162 1.181 1.502 1.00 15.00 C ATOM 735 CD1 LEU B 207 9.930 -0.069 1.115 1.00 15.00 C ATOM 736 CD2 LEU B 207 8.599 1.018 2.908 1.00 15.00 C ATOM 0 H LEU B 207 8.338 3.168 3.041 1.00 15.00 H new ATOM 0 HA LEU B 207 10.143 4.554 1.366 1.00 15.00 H new ATOM 0 HB2 LEU B 207 10.708 2.305 0.531 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.728 2.422 2.279 1.00 15.00 H new ATOM 0 HG LEU B 207 8.332 1.326 0.810 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.273 -0.936 1.185 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.293 0.029 0.092 1.00 15.00 H new ATOM 0 HD13 LEU B 207 10.776 -0.199 1.789 1.00 15.00 H new ATOM 0 HD21 LEU B 207 7.959 0.136 2.944 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.419 0.900 3.617 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.016 1.901 3.171 1.00 15.00 H new HETATM 748 N SEP B 208 8.861 5.033 -0.682 1.00 15.00 N HETATM 749 CA SEP B 208 8.167 5.357 -1.918 1.00 15.00 C HETATM 750 CB SEP B 208 8.218 6.872 -2.143 1.00 15.00 C HETATM 751 OG SEP B 208 7.691 7.566 -1.043 1.00 15.00 O HETATM 752 C SEP B 208 8.785 4.631 -3.109 1.00 15.00 C HETATM 753 O SEP B 208 9.972 4.805 -3.397 1.00 15.00 O HETATM 754 P SEP B 208 8.460 8.785 -0.316 1.00 15.00 P HETATM 755 O1P SEP B 208 7.559 9.380 0.680 1.00 15.00 O HETATM 756 O2P SEP B 208 9.678 8.263 0.323 1.00 15.00 O HETATM 757 O3P SEP B 208 8.819 9.764 -1.345 1.00 15.00 O HETATM 0 HB3 SEP B 208 9.249 7.183 -2.312 1.00 15.00 H new HETATM 0 HB2 SEP B 208 7.656 7.128 -3.041 1.00 15.00 H new HETATM 0 HA SEP B 208 7.131 5.029 -1.830 1.00 15.00 H new HETATM 0 H SEP B 208 9.283 5.776 -0.124 1.00 15.00 H new ATOM 762 N PRO B 209 7.992 3.790 -3.809 1.00 15.00 N ATOM 763 CA PRO B 209 8.426 3.158 -5.062 1.00 15.00 C ATOM 764 C PRO B 209 8.937 4.184 -6.066 1.00 15.00 C ATOM 765 O PRO B 209 8.406 5.295 -6.159 1.00 15.00 O ATOM 766 CB PRO B 209 7.151 2.503 -5.592 1.00 15.00 C ATOM 767 CG PRO B 209 6.314 2.263 -4.389 1.00 15.00 C ATOM 768 CD PRO B 209 6.623 3.375 -3.431 1.00 15.00 C ATOM 0 HA PRO B 209 9.248 2.460 -4.904 1.00 15.00 H new ATOM 0 HB2 PRO B 209 6.641 3.151 -6.305 1.00 15.00 H new ATOM 0 HB3 PRO B 209 7.373 1.571 -6.111 1.00 15.00 H new ATOM 0 HG2 PRO B 209 5.255 2.256 -4.647 1.00 15.00 H new ATOM 0 HG3 PRO B 209 6.540 1.294 -3.945 1.00 15.00 H new ATOM 0 HD2 PRO B 209 5.914 4.197 -3.529 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.578 3.036 -2.396 1.00 15.00 H new ATOM 776 N ASN B 210 9.943 3.799 -6.834 1.00 15.00 N ATOM 777 CA ASN B 210 10.551 4.697 -7.801 1.00 15.00 C ATOM 778 C ASN B 210 9.701 4.729 -9.064 1.00 15.00 C ATOM 779 O ASN B 210 9.531 3.710 -9.732 1.00 15.00 O ATOM 780 CB ASN B 210 11.977 4.235 -8.122 1.00 15.00 C ATOM 781 CG ASN B 210 12.831 5.287 -8.820 1.00 15.00 C ATOM 782 OD1 ASN B 210 12.238 6.085 -9.692 1.00 15.00 O flip ATOM 783 ND2 ASN B 210 14.038 5.364 -8.584 1.00 15.00 N flip ATOM 0 H ASN B 210 10.357 2.867 -6.806 1.00 15.00 H new ATOM 0 HA ASN B 210 10.603 5.702 -7.383 1.00 15.00 H new ATOM 0 HB2 ASN B 210 12.469 3.940 -7.195 1.00 15.00 H new ATOM 0 HB3 ASN B 210 11.926 3.347 -8.752 1.00 15.00 H new ATOM 0 HD21 ASN B 210 14.466 4.734 -7.906 1.00 15.00 H new ATOM 0 HD22 ASN B 210 14.609 6.058 -9.067 1.00 15.00 H new ATOM 790 N PRO B 211 9.129 5.895 -9.393 1.00 15.00 N ATOM 791 CA PRO B 211 8.326 6.069 -10.588 1.00 15.00 C ATOM 792 C PRO B 211 9.182 6.462 -11.787 1.00 15.00 C ATOM 793 O PRO B 211 9.180 7.654 -12.160 1.00 15.00 O ATOM 794 CB PRO B 211 7.363 7.204 -10.210 1.00 15.00 C ATOM 795 CG PRO B 211 7.896 7.816 -8.946 1.00 15.00 C ATOM 796 CD PRO B 211 9.204 7.139 -8.625 1.00 15.00 C ATOM 797 OXT PRO B 211 9.874 5.580 -12.334 1.00 15.00 O ATOM 0 HA PRO B 211 7.816 5.153 -10.885 1.00 15.00 H new ATOM 0 HB2 PRO B 211 7.307 7.946 -11.006 1.00 15.00 H new ATOM 0 HB3 PRO B 211 6.353 6.822 -10.060 1.00 15.00 H new ATOM 0 HG2 PRO B 211 8.042 8.889 -9.072 1.00 15.00 H new ATOM 0 HG3 PRO B 211 7.187 7.685 -8.129 1.00 15.00 H new ATOM 0 HD2 PRO B 211 10.057 7.747 -8.925 1.00 15.00 H new ATOM 0 HD3 PRO B 211 9.308 6.948 -7.557 1.00 15.00 H new TER 805 PRO B 211