USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, 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 208 SEP H2 : B 208 SEP N : B 207 LEU C :(H bumps) USER MOD Set 1.1: A 496 TYR OH : rot 180:sc= 0.825 USER MOD Set 1.2: A 501 LYS NZ :NH3+ -151:sc= -1.36! (180deg=-3.63!) USER MOD Single : A 476 GLN : amide:sc= -0.833 K(o=-0.83,f=0.14) USER MOD Single : A 477 SER OG : rot 52:sc= 0.404 USER MOD Single : A 485 MET CE :methyl -150:sc= -0.527 (180deg=-1.48!) USER MOD Single : A 490 ASN : amide:sc= -8.03! C(o=-8!,f=-17!) USER MOD Single : A 498 HIS : no HE2:sc= -4.22! C(o=-4.2!,f=-8!) USER MOD Single : A 499 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : A 504 THR OG1 : rot 170:sc= 0.22 USER MOD Single : A 511 LYS NZ :NH3+ -106:sc= 0.471 (180deg=-1.91!) USER MOD Single : A 515 HIS : no HE2:sc= -1.04 K(o=-1,f=-8.9!) USER MOD Single : B 206 ASN : amide:sc= 0.307 K(o=0.31,f=-0.62) USER MOD Single : B 210 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 476 -8.025 -3.521 5.568 1.00 15.00 N ATOM 2 CA GLN A 476 -8.461 -2.124 5.787 1.00 15.00 C ATOM 3 C GLN A 476 -9.867 -1.928 5.266 1.00 15.00 C ATOM 4 O GLN A 476 -10.499 -2.864 4.779 1.00 15.00 O ATOM 5 CB GLN A 476 -7.515 -1.138 5.091 1.00 15.00 C ATOM 6 CG GLN A 476 -6.074 -1.251 5.545 1.00 15.00 C ATOM 7 CD GLN A 476 -5.885 -0.981 7.028 1.00 15.00 C ATOM 8 OE1 GLN A 476 -4.998 -1.548 7.663 1.00 15.00 O ATOM 9 NE2 GLN A 476 -6.698 -0.102 7.593 1.00 15.00 N ATOM 0 HA GLN A 476 -8.440 -1.930 6.859 1.00 15.00 H new ATOM 0 HB2 GLN A 476 -7.561 -1.303 4.014 1.00 15.00 H new ATOM 0 HB3 GLN A 476 -7.865 -0.122 5.273 1.00 15.00 H new ATOM 0 HG2 GLN A 476 -5.706 -2.251 5.316 1.00 15.00 H new ATOM 0 HG3 GLN A 476 -5.465 -0.549 4.975 1.00 15.00 H new ATOM 0 HE21 GLN A 476 -7.424 0.351 7.038 1.00 15.00 H new ATOM 0 HE22 GLN A 476 -6.598 0.122 8.583 1.00 15.00 H new ATOM 18 N SER A 477 -10.342 -0.706 5.360 1.00 15.00 N ATOM 19 CA SER A 477 -11.704 -0.382 4.964 1.00 15.00 C ATOM 20 C SER A 477 -11.850 -0.240 3.449 1.00 15.00 C ATOM 21 O SER A 477 -12.906 -0.538 2.892 1.00 15.00 O ATOM 22 CB SER A 477 -12.155 0.900 5.662 1.00 15.00 C ATOM 23 OG SER A 477 -11.189 1.928 5.510 1.00 15.00 O ATOM 0 H SER A 477 -9.805 0.088 5.709 1.00 15.00 H new ATOM 0 HA SER A 477 -12.342 -1.211 5.270 1.00 15.00 H new ATOM 0 HB2 SER A 477 -13.108 1.228 5.248 1.00 15.00 H new ATOM 0 HB3 SER A 477 -12.318 0.703 6.722 1.00 15.00 H new ATOM 0 HG SER A 477 -10.965 2.028 4.561 1.00 15.00 H new ATOM 29 N PHE A 478 -10.809 0.254 2.783 1.00 15.00 N ATOM 30 CA PHE A 478 -10.885 0.483 1.334 1.00 15.00 C ATOM 31 C PHE A 478 -10.438 -0.851 0.792 1.00 15.00 C ATOM 32 O PHE A 478 -10.889 -1.372 -0.224 1.00 15.00 O ATOM 33 CB PHE A 478 -9.726 1.287 0.740 1.00 15.00 C ATOM 34 CG PHE A 478 -9.052 2.212 1.667 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.679 2.878 2.698 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.671 2.204 1.606 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.912 3.501 3.653 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.935 2.845 2.509 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.534 3.473 3.534 1.00 15.00 C ATOM 0 H PHE A 478 -9.916 0.501 3.210 1.00 15.00 H new ATOM 0 HA PHE A 478 -11.855 0.935 1.125 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -8.986 0.589 0.350 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.102 1.860 -0.108 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.757 2.910 2.754 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.180 1.666 0.809 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.379 4.006 4.486 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.859 2.861 2.419 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.928 3.966 4.280 1.00 15.00 H new ATOM 49 N LEU A 479 -9.485 -1.345 1.586 1.00 15.00 N ATOM 50 CA LEU A 479 -8.233 -1.878 1.109 1.00 15.00 C ATOM 51 C LEU A 479 -7.964 -3.256 1.735 1.00 15.00 C ATOM 52 O LEU A 479 -8.334 -3.495 2.882 1.00 15.00 O ATOM 53 CB LEU A 479 -7.165 -0.772 1.448 1.00 15.00 C ATOM 54 CG LEU A 479 -5.763 -0.942 0.876 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.678 -0.216 -0.444 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.706 -0.381 1.804 1.00 15.00 C ATOM 0 H LEU A 479 -9.577 -1.381 2.601 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.216 -2.076 0.037 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.554 0.186 1.104 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -7.079 -0.710 2.533 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.579 -2.009 0.750 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.677 -0.333 -0.860 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.410 -0.633 -1.136 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -5.886 0.843 -0.291 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.720 -0.522 1.360 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.886 0.683 1.959 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.750 -0.900 2.762 1.00 15.00 H new ATOM 68 N PRO A 480 -7.300 -4.163 0.987 1.00 15.00 N ATOM 69 CA PRO A 480 -7.147 -5.586 1.371 1.00 15.00 C ATOM 70 C PRO A 480 -6.408 -5.775 2.715 1.00 15.00 C ATOM 71 O PRO A 480 -5.878 -4.818 3.278 1.00 15.00 O ATOM 72 CB PRO A 480 -6.310 -6.188 0.226 1.00 15.00 C ATOM 73 CG PRO A 480 -6.206 -5.158 -0.849 1.00 15.00 C ATOM 74 CD PRO A 480 -6.618 -3.839 -0.273 1.00 15.00 C ATOM 0 HA PRO A 480 -8.119 -6.059 1.511 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.319 -6.469 0.583 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.780 -7.094 -0.156 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.185 -5.105 -1.228 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -6.846 -5.422 -1.691 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.753 -3.198 -0.099 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.281 -3.303 -0.952 1.00 15.00 H new ATOM 82 N PRO A 481 -6.350 -7.024 3.235 1.00 15.00 N ATOM 83 CA PRO A 481 -5.647 -7.357 4.495 1.00 15.00 C ATOM 84 C PRO A 481 -4.120 -7.494 4.337 1.00 15.00 C ATOM 85 O PRO A 481 -3.464 -8.197 5.107 1.00 15.00 O ATOM 86 CB PRO A 481 -6.259 -8.713 4.897 1.00 15.00 C ATOM 87 CG PRO A 481 -7.348 -8.991 3.909 1.00 15.00 C ATOM 88 CD PRO A 481 -7.000 -8.214 2.677 1.00 15.00 C ATOM 0 HA PRO A 481 -5.774 -6.565 5.233 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.506 -9.501 4.878 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.655 -8.675 5.912 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.414 -10.057 3.692 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.318 -8.685 4.302 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.333 -8.771 2.019 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.884 -7.959 2.093 1.00 15.00 H new ATOM 96 N GLY A 482 -3.557 -6.770 3.381 1.00 15.00 N ATOM 97 CA GLY A 482 -2.127 -6.798 3.138 1.00 15.00 C ATOM 98 C GLY A 482 -1.560 -5.475 3.454 1.00 15.00 C ATOM 99 O GLY A 482 -0.396 -5.227 3.256 1.00 15.00 O ATOM 0 H GLY A 482 -4.076 -6.152 2.757 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.656 -7.566 3.752 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.927 -7.054 2.098 1.00 15.00 H new ATOM 103 N TRP A 483 -2.400 -4.599 3.912 1.00 15.00 N ATOM 104 CA TRP A 483 -2.227 -3.247 3.512 1.00 15.00 C ATOM 105 C TRP A 483 -2.227 -2.244 4.621 1.00 15.00 C ATOM 106 O TRP A 483 -2.936 -2.346 5.619 1.00 15.00 O ATOM 107 CB TRP A 483 -3.284 -2.959 2.475 1.00 15.00 C ATOM 108 CG TRP A 483 -3.145 -3.902 1.334 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.835 -5.030 1.100 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.190 -3.844 0.322 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.358 -5.669 -0.003 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.379 -4.956 -0.496 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.209 -2.968 0.015 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.644 -5.219 -1.584 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.451 -3.223 -1.075 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.662 -4.339 -1.879 1.00 15.00 C ATOM 0 H TRP A 483 -3.182 -4.789 4.539 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.223 -3.137 3.102 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.275 -3.054 2.918 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.190 -1.932 2.123 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.657 -5.382 1.705 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.704 -6.551 -0.380 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.035 -2.091 0.621 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.827 -6.091 -2.195 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.344 -2.538 -1.330 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.037 -4.503 -2.744 1.00 15.00 H new ATOM 127 N GLU A 484 -1.393 -1.267 4.383 1.00 15.00 N ATOM 128 CA GLU A 484 -1.235 -0.120 5.251 1.00 15.00 C ATOM 129 C GLU A 484 -1.340 1.126 4.393 1.00 15.00 C ATOM 130 O GLU A 484 -0.495 1.361 3.528 1.00 15.00 O ATOM 131 CB GLU A 484 0.128 -0.191 5.959 1.00 15.00 C ATOM 132 CG GLU A 484 0.399 0.878 7.004 1.00 15.00 C ATOM 133 CD GLU A 484 -0.723 1.046 8.004 1.00 15.00 C ATOM 134 OE1 GLU A 484 -1.650 1.838 7.747 1.00 15.00 O ATOM 135 OE2 GLU A 484 -0.670 0.392 9.064 1.00 15.00 O ATOM 0 H GLU A 484 -0.788 -1.242 3.562 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.007 -0.101 6.020 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.215 -1.167 6.437 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.910 -0.136 5.202 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.316 0.628 7.538 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.572 1.830 6.502 1.00 15.00 H new ATOM 142 N MET A 485 -2.394 1.891 4.595 1.00 15.00 N ATOM 143 CA MET A 485 -2.590 3.103 3.831 1.00 15.00 C ATOM 144 C MET A 485 -1.929 4.249 4.549 1.00 15.00 C ATOM 145 O MET A 485 -2.346 4.633 5.642 1.00 15.00 O ATOM 146 CB MET A 485 -4.071 3.409 3.655 1.00 15.00 C ATOM 147 CG MET A 485 -4.352 4.647 2.805 1.00 15.00 C ATOM 148 SD MET A 485 -4.178 6.204 3.705 1.00 15.00 S ATOM 149 CE MET A 485 -4.713 7.370 2.456 1.00 15.00 C ATOM 0 H MET A 485 -3.124 1.695 5.279 1.00 15.00 H new ATOM 0 HA MET A 485 -2.148 2.965 2.844 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.558 2.548 3.197 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.523 3.545 4.638 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.673 4.653 1.953 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.364 4.580 2.406 1.00 15.00 H new ATOM 0 HE1 MET A 485 -4.201 8.321 2.603 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.475 6.978 1.467 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.789 7.522 2.537 1.00 15.00 H new ATOM 159 N ARG A 486 -0.874 4.772 3.963 1.00 15.00 N ATOM 160 CA ARG A 486 -0.227 5.930 4.526 1.00 15.00 C ATOM 161 C ARG A 486 0.005 6.970 3.454 1.00 15.00 C ATOM 162 O ARG A 486 0.722 6.746 2.490 1.00 15.00 O ATOM 163 CB ARG A 486 1.073 5.543 5.238 1.00 15.00 C ATOM 164 CG ARG A 486 0.818 4.753 6.512 1.00 15.00 C ATOM 165 CD ARG A 486 2.084 4.171 7.108 1.00 15.00 C ATOM 166 NE ARG A 486 2.884 5.145 7.852 1.00 15.00 N ATOM 167 CZ ARG A 486 2.789 5.320 9.174 1.00 15.00 C ATOM 168 NH1 ARG A 486 1.776 4.790 9.853 1.00 15.00 N ATOM 169 NH2 ARG A 486 3.693 6.047 9.820 1.00 15.00 N ATOM 0 H ARG A 486 -0.452 4.416 3.106 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.883 6.367 5.279 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.692 4.951 4.564 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.636 6.445 5.479 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.341 5.402 7.247 1.00 15.00 H new ATOM 0 HG3 ARG A 486 0.118 3.945 6.299 1.00 15.00 H new ATOM 0 HD2 ARG A 486 1.818 3.349 7.772 1.00 15.00 H new ATOM 0 HD3 ARG A 486 2.692 3.750 6.307 1.00 15.00 H new ATOM 0 HE ARG A 486 3.549 5.720 7.335 1.00 15.00 H new ATOM 0 HH11 ARG A 486 1.065 4.246 9.365 1.00 15.00 H new ATOM 0 HH12 ARG A 486 1.710 4.928 10.862 1.00 15.00 H new ATOM 0 HH21 ARG A 486 4.464 6.475 9.308 1.00 15.00 H new ATOM 0 HH22 ARG A 486 3.616 6.178 10.829 1.00 15.00 H new ATOM 183 N ILE A 487 -0.665 8.087 3.622 1.00 15.00 N ATOM 184 CA ILE A 487 -0.480 9.246 2.780 1.00 15.00 C ATOM 185 C ILE A 487 0.603 10.098 3.382 1.00 15.00 C ATOM 186 O ILE A 487 0.493 10.609 4.498 1.00 15.00 O ATOM 187 CB ILE A 487 -1.801 9.993 2.586 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.558 11.386 1.975 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.582 10.031 3.885 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.781 12.276 1.967 1.00 15.00 C ATOM 0 H ILE A 487 -1.362 8.218 4.356 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.163 8.951 1.780 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.420 9.454 1.869 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.764 11.882 2.532 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.202 11.266 0.952 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.519 10.566 3.731 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.795 9.013 4.212 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.994 10.542 4.648 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.528 13.238 1.521 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.571 11.803 1.384 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.126 12.429 2.989 1.00 15.00 H new ATOM 202 N ALA A 488 1.666 10.216 2.623 1.00 15.00 N ATOM 203 CA ALA A 488 2.910 10.723 3.119 1.00 15.00 C ATOM 204 C ALA A 488 2.939 12.231 2.958 1.00 15.00 C ATOM 205 O ALA A 488 2.278 12.756 2.064 1.00 15.00 O ATOM 206 CB ALA A 488 4.069 10.116 2.367 1.00 15.00 C ATOM 0 H ALA A 488 1.686 9.959 1.636 1.00 15.00 H new ATOM 0 HA ALA A 488 3.000 10.459 4.173 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.005 10.514 2.759 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.055 9.033 2.490 1.00 15.00 H new ATOM 0 HB3 ALA A 488 3.985 10.362 1.308 1.00 15.00 H new ATOM 212 N PRO A 489 3.655 12.950 3.836 1.00 15.00 N ATOM 213 CA PRO A 489 3.725 14.423 3.807 1.00 15.00 C ATOM 214 C PRO A 489 4.200 15.019 2.469 1.00 15.00 C ATOM 215 O PRO A 489 4.319 16.236 2.341 1.00 15.00 O ATOM 216 CB PRO A 489 4.734 14.752 4.915 1.00 15.00 C ATOM 217 CG PRO A 489 4.703 13.573 5.822 1.00 15.00 C ATOM 218 CD PRO A 489 4.454 12.387 4.939 1.00 15.00 C ATOM 0 HA PRO A 489 2.732 14.852 3.944 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.732 14.910 4.506 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.457 15.664 5.443 1.00 15.00 H new ATOM 0 HG2 PRO A 489 5.645 13.469 6.361 1.00 15.00 H new ATOM 0 HG3 PRO A 489 3.917 13.676 6.570 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.386 11.950 4.579 1.00 15.00 H new ATOM 0 HD3 PRO A 489 3.915 11.599 5.465 1.00 15.00 H new ATOM 226 N ASN A 490 4.480 14.178 1.475 1.00 15.00 N ATOM 227 CA ASN A 490 4.862 14.662 0.158 1.00 15.00 C ATOM 228 C ASN A 490 3.676 14.546 -0.790 1.00 15.00 C ATOM 229 O ASN A 490 3.678 15.107 -1.887 1.00 15.00 O ATOM 230 CB ASN A 490 6.090 13.901 -0.372 1.00 15.00 C ATOM 231 CG ASN A 490 5.889 12.399 -0.384 1.00 15.00 C ATOM 232 OD1 ASN A 490 4.986 11.883 0.264 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.739 11.675 -1.094 1.00 15.00 N ATOM 0 H ASN A 490 4.449 13.162 1.560 1.00 15.00 H new ATOM 0 HA ASN A 490 5.145 15.712 0.229 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.314 14.241 -1.383 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.956 14.142 0.245 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.652 10.659 -1.112 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.481 12.133 -1.623 1.00 15.00 H new ATOM 240 N GLY A 491 2.671 13.783 -0.366 1.00 15.00 N ATOM 241 CA GLY A 491 1.481 13.598 -1.167 1.00 15.00 C ATOM 242 C GLY A 491 1.399 12.191 -1.690 1.00 15.00 C ATOM 243 O GLY A 491 0.842 11.938 -2.758 1.00 15.00 O ATOM 0 H GLY A 491 2.664 13.288 0.526 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.597 13.820 -0.569 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.486 14.300 -2.001 1.00 15.00 H new ATOM 247 N ARG A 492 1.949 11.266 -0.923 1.00 15.00 N ATOM 248 CA ARG A 492 2.102 9.899 -1.373 1.00 15.00 C ATOM 249 C ARG A 492 1.406 8.913 -0.452 1.00 15.00 C ATOM 250 O ARG A 492 1.925 8.571 0.600 1.00 15.00 O ATOM 251 CB ARG A 492 3.586 9.558 -1.470 1.00 15.00 C ATOM 252 CG ARG A 492 4.316 10.413 -2.473 1.00 15.00 C ATOM 253 CD ARG A 492 5.070 9.628 -3.526 1.00 15.00 C ATOM 254 NE ARG A 492 6.509 9.632 -3.277 1.00 15.00 N ATOM 255 CZ ARG A 492 7.423 9.964 -4.189 1.00 15.00 C ATOM 256 NH1 ARG A 492 7.078 10.112 -5.467 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.691 10.106 -3.825 1.00 15.00 N ATOM 0 H ARG A 492 2.298 11.441 0.019 1.00 15.00 H new ATOM 0 HA ARG A 492 1.633 9.817 -2.354 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.047 9.681 -0.490 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.696 8.509 -1.745 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.597 11.066 -2.968 1.00 15.00 H new ATOM 0 HG3 ARG A 492 5.019 11.056 -1.943 1.00 15.00 H new ATOM 0 HD2 ARG A 492 4.707 8.600 -3.543 1.00 15.00 H new ATOM 0 HD3 ARG A 492 4.870 10.053 -4.509 1.00 15.00 H new ATOM 0 HE ARG A 492 6.835 9.364 -2.348 1.00 15.00 H new ATOM 0 HH11 ARG A 492 6.109 9.971 -5.753 1.00 15.00 H new ATOM 0 HH12 ARG A 492 7.783 10.366 -6.159 1.00 15.00 H new ATOM 0 HH21 ARG A 492 8.962 9.961 -2.852 1.00 15.00 H new ATOM 0 HH22 ARG A 492 9.395 10.360 -4.518 1.00 15.00 H new ATOM 271 N PRO A 493 0.209 8.465 -0.823 1.00 15.00 N ATOM 272 CA PRO A 493 -0.463 7.365 -0.154 1.00 15.00 C ATOM 273 C PRO A 493 -0.065 6.079 -0.785 1.00 15.00 C ATOM 274 O PRO A 493 -0.509 5.713 -1.875 1.00 15.00 O ATOM 275 CB PRO A 493 -1.952 7.664 -0.370 1.00 15.00 C ATOM 276 CG PRO A 493 -1.966 8.998 -1.043 1.00 15.00 C ATOM 277 CD PRO A 493 -0.677 9.064 -1.805 1.00 15.00 C ATOM 0 HA PRO A 493 -0.215 7.275 0.904 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.425 6.901 -0.988 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.494 7.689 0.575 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.823 9.095 -1.709 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -2.036 9.806 -0.315 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.712 8.501 -2.738 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.392 10.085 -2.060 1.00 15.00 H new ATOM 285 N PHE A 494 0.852 5.432 -0.098 1.00 15.00 N ATOM 286 CA PHE A 494 1.449 4.254 -0.595 1.00 15.00 C ATOM 287 C PHE A 494 0.536 3.177 -0.071 1.00 15.00 C ATOM 288 O PHE A 494 0.330 3.094 1.147 1.00 15.00 O ATOM 289 CB PHE A 494 2.799 3.989 0.067 1.00 15.00 C ATOM 290 CG PHE A 494 3.562 5.192 0.560 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.305 5.663 1.839 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.566 5.797 -0.164 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.009 6.679 2.378 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.275 6.862 0.372 1.00 15.00 C ATOM 295 CZ PHE A 494 4.995 7.293 1.656 1.00 15.00 C ATOM 0 H PHE A 494 1.191 5.724 0.819 1.00 15.00 H new ATOM 0 HA PHE A 494 1.587 4.305 -1.675 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.637 3.320 0.912 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.428 3.456 -0.646 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.519 5.203 2.420 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.803 5.440 -1.155 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.793 7.009 3.383 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.041 7.352 -0.210 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.553 8.111 2.087 1.00 15.00 H new ATOM 305 N PHE A 495 -0.040 2.381 -0.917 1.00 15.00 N ATOM 306 CA PHE A 495 -0.791 1.271 -0.410 1.00 15.00 C ATOM 307 C PHE A 495 0.203 0.115 -0.290 1.00 15.00 C ATOM 308 O PHE A 495 0.555 -0.496 -1.289 1.00 15.00 O ATOM 309 CB PHE A 495 -1.954 0.897 -1.336 1.00 15.00 C ATOM 310 CG PHE A 495 -2.987 1.981 -1.498 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.285 2.843 -0.454 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.654 2.141 -2.702 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.228 3.842 -0.609 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.596 3.138 -2.865 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.884 3.989 -1.816 1.00 15.00 C ATOM 0 H PHE A 495 -0.009 2.471 -1.933 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.245 1.517 0.550 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.555 0.642 -2.317 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.440 0.002 -0.947 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -2.775 2.733 0.491 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -3.434 1.477 -3.525 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -4.452 4.507 0.212 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -5.106 3.252 -3.810 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.621 4.769 -1.939 1.00 15.00 H new ATOM 325 N TYR A 496 0.747 -0.119 0.899 1.00 15.00 N ATOM 326 CA TYR A 496 1.843 -1.082 1.032 1.00 15.00 C ATOM 327 C TYR A 496 1.382 -2.432 1.591 1.00 15.00 C ATOM 328 O TYR A 496 0.698 -2.508 2.613 1.00 15.00 O ATOM 329 CB TYR A 496 3.008 -0.463 1.835 1.00 15.00 C ATOM 330 CG TYR A 496 3.882 -1.457 2.596 1.00 15.00 C ATOM 331 CD1 TYR A 496 4.928 -2.129 1.966 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.673 -1.717 3.947 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.727 -3.018 2.653 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.476 -2.608 4.641 1.00 15.00 C ATOM 335 CZ TYR A 496 5.499 -3.255 3.987 1.00 15.00 C ATOM 336 OH TYR A 496 6.297 -4.146 4.670 1.00 15.00 O ATOM 0 H TYR A 496 0.459 0.331 1.768 1.00 15.00 H new ATOM 0 HA TYR A 496 2.214 -1.305 0.032 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.641 0.100 1.149 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.596 0.252 2.547 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.117 -1.950 0.918 1.00 15.00 H new ATOM 0 HD2 TYR A 496 2.869 -1.215 4.465 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.531 -3.528 2.143 1.00 15.00 H new ATOM 0 HE2 TYR A 496 4.300 -2.794 5.690 1.00 15.00 H new ATOM 0 HH TYR A 496 6.004 -4.198 5.604 1.00 15.00 H new ATOM 346 N ASP A 497 1.820 -3.487 0.900 1.00 15.00 N ATOM 347 CA ASP A 497 1.409 -4.881 1.136 1.00 15.00 C ATOM 348 C ASP A 497 2.356 -5.511 2.161 1.00 15.00 C ATOM 349 O ASP A 497 3.551 -5.238 2.130 1.00 15.00 O ATOM 350 CB ASP A 497 1.566 -5.642 -0.179 1.00 15.00 C ATOM 351 CG ASP A 497 1.223 -7.106 -0.073 1.00 15.00 C ATOM 352 OD1 ASP A 497 2.097 -7.887 0.339 1.00 15.00 O ATOM 353 OD2 ASP A 497 0.090 -7.482 -0.433 1.00 15.00 O ATOM 0 H ASP A 497 2.491 -3.397 0.137 1.00 15.00 H new ATOM 0 HA ASP A 497 0.381 -4.919 1.497 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.929 -5.182 -0.934 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.594 -5.542 -0.526 1.00 15.00 H new ATOM 358 N HIS A 498 1.847 -6.361 3.043 1.00 15.00 N ATOM 359 CA HIS A 498 2.661 -6.942 4.109 1.00 15.00 C ATOM 360 C HIS A 498 2.892 -8.424 3.853 1.00 15.00 C ATOM 361 O HIS A 498 3.599 -9.089 4.604 1.00 15.00 O ATOM 362 CB HIS A 498 1.992 -6.755 5.483 1.00 15.00 C ATOM 363 CG HIS A 498 1.742 -5.321 5.866 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.315 -4.380 4.969 1.00 15.00 N ATOM 365 CD2 HIS A 498 1.836 -4.672 7.056 1.00 15.00 C ATOM 366 CE1 HIS A 498 1.156 -3.232 5.563 1.00 15.00 C ATOM 367 NE2 HIS A 498 1.461 -3.368 6.840 1.00 15.00 N ATOM 0 H HIS A 498 0.873 -6.665 3.043 1.00 15.00 H new ATOM 0 HA HIS A 498 3.619 -6.423 4.115 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.042 -7.289 5.486 1.00 15.00 H new ATOM 0 HB3 HIS A 498 2.620 -7.217 6.245 1.00 15.00 H new ATOM 0 HD1 HIS A 498 1.146 -4.553 3.978 1.00 15.00 H new ATOM 0 HD2 HIS A 498 2.148 -5.101 7.997 1.00 15.00 H new ATOM 0 HE1 HIS A 498 0.828 -2.319 5.089 1.00 15.00 H new ATOM 376 N ASN A 499 2.297 -8.927 2.780 1.00 15.00 N ATOM 377 CA ASN A 499 2.417 -10.333 2.415 1.00 15.00 C ATOM 378 C ASN A 499 3.719 -10.546 1.651 1.00 15.00 C ATOM 379 O ASN A 499 4.421 -11.540 1.839 1.00 15.00 O ATOM 380 CB ASN A 499 1.226 -10.770 1.548 1.00 15.00 C ATOM 381 CG ASN A 499 -0.120 -10.384 2.144 1.00 15.00 C ATOM 382 OD1 ASN A 499 -0.630 -9.288 1.909 1.00 15.00 O ATOM 383 ND2 ASN A 499 -0.719 -11.288 2.899 1.00 15.00 N ATOM 0 H ASN A 499 1.722 -8.377 2.142 1.00 15.00 H new ATOM 0 HA ASN A 499 2.421 -10.935 3.323 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.321 -10.322 0.559 1.00 15.00 H new ATOM 0 HB3 ASN A 499 1.260 -11.851 1.413 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.632 -11.088 3.307 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.268 -12.186 3.074 1.00 15.00 H new ATOM 390 N THR A 500 4.008 -9.607 0.763 1.00 15.00 N ATOM 391 CA THR A 500 5.255 -9.591 0.016 1.00 15.00 C ATOM 392 C THR A 500 6.103 -8.392 0.447 1.00 15.00 C ATOM 393 O THR A 500 7.285 -8.292 0.111 1.00 15.00 O ATOM 394 CB THR A 500 4.972 -9.527 -1.503 1.00 15.00 C ATOM 395 OG1 THR A 500 4.062 -10.574 -1.869 1.00 15.00 O ATOM 396 CG2 THR A 500 6.248 -9.673 -2.320 1.00 15.00 C ATOM 0 H THR A 500 3.382 -8.833 0.540 1.00 15.00 H new ATOM 0 HA THR A 500 5.804 -10.509 0.227 1.00 15.00 H new ATOM 0 HB THR A 500 4.536 -8.551 -1.717 1.00 15.00 H new ATOM 0 HG1 THR A 500 3.883 -10.530 -2.832 1.00 15.00 H new ATOM 0 HG21 THR A 500 6.008 -9.623 -3.382 1.00 15.00 H new ATOM 0 HG22 THR A 500 6.937 -8.868 -2.065 1.00 15.00 H new ATOM 0 HG23 THR A 500 6.714 -10.633 -2.098 1.00 15.00 H new ATOM 404 N LYS A 501 5.483 -7.502 1.222 1.00 15.00 N ATOM 405 CA LYS A 501 6.124 -6.267 1.683 1.00 15.00 C ATOM 406 C LYS A 501 6.448 -5.356 0.510 1.00 15.00 C ATOM 407 O LYS A 501 7.565 -4.854 0.390 1.00 15.00 O ATOM 408 CB LYS A 501 7.402 -6.536 2.477 1.00 15.00 C ATOM 409 CG LYS A 501 7.205 -7.398 3.713 1.00 15.00 C ATOM 410 CD LYS A 501 8.500 -7.546 4.503 1.00 15.00 C ATOM 411 CE LYS A 501 8.808 -6.327 5.372 1.00 15.00 C ATOM 412 NZ LYS A 501 9.005 -5.078 4.583 1.00 15.00 N ATOM 0 H LYS A 501 4.523 -7.615 1.548 1.00 15.00 H new ATOM 0 HA LYS A 501 5.409 -5.777 2.345 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.126 -7.021 1.823 1.00 15.00 H new ATOM 0 HB3 LYS A 501 7.835 -5.582 2.780 1.00 15.00 H new ATOM 0 HG2 LYS A 501 6.438 -6.955 4.349 1.00 15.00 H new ATOM 0 HG3 LYS A 501 6.843 -8.383 3.417 1.00 15.00 H new ATOM 0 HD2 LYS A 501 8.434 -8.431 5.137 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.326 -7.710 3.811 1.00 15.00 H new ATOM 0 HE2 LYS A 501 7.992 -6.177 6.079 1.00 15.00 H new ATOM 0 HE3 LYS A 501 9.706 -6.524 5.958 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 9.655 -4.445 5.091 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 9.408 -5.314 3.654 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.090 -4.602 4.453 1.00 15.00 H new ATOM 426 N THR A 502 5.467 -5.123 -0.339 1.00 15.00 N ATOM 427 CA THR A 502 5.686 -4.301 -1.514 1.00 15.00 C ATOM 428 C THR A 502 4.942 -2.974 -1.399 1.00 15.00 C ATOM 429 O THR A 502 3.768 -2.930 -1.027 1.00 15.00 O ATOM 430 CB THR A 502 5.283 -5.038 -2.815 1.00 15.00 C ATOM 431 OG1 THR A 502 5.536 -4.208 -3.955 1.00 15.00 O ATOM 432 CG2 THR A 502 3.818 -5.451 -2.798 1.00 15.00 C ATOM 0 H THR A 502 4.519 -5.487 -0.240 1.00 15.00 H new ATOM 0 HA THR A 502 6.755 -4.095 -1.568 1.00 15.00 H new ATOM 0 HB THR A 502 5.889 -5.942 -2.879 1.00 15.00 H new ATOM 0 HG1 THR A 502 5.279 -4.686 -4.771 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.574 -5.965 -3.728 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.638 -6.119 -1.956 1.00 15.00 H new ATOM 0 HG23 THR A 502 3.191 -4.565 -2.698 1.00 15.00 H new ATOM 440 N THR A 503 5.642 -1.890 -1.688 1.00 15.00 N ATOM 441 CA THR A 503 5.043 -0.571 -1.689 1.00 15.00 C ATOM 442 C THR A 503 4.496 -0.267 -3.080 1.00 15.00 C ATOM 443 O THR A 503 5.205 -0.418 -4.073 1.00 15.00 O ATOM 444 CB THR A 503 6.084 0.501 -1.295 1.00 15.00 C ATOM 445 OG1 THR A 503 7.354 0.192 -1.887 1.00 15.00 O ATOM 446 CG2 THR A 503 6.246 0.605 0.213 1.00 15.00 C ATOM 0 H THR A 503 6.634 -1.901 -1.926 1.00 15.00 H new ATOM 0 HA THR A 503 4.233 -0.552 -0.960 1.00 15.00 H new ATOM 0 HB THR A 503 5.721 1.460 -1.665 1.00 15.00 H new ATOM 0 HG1 THR A 503 8.008 0.877 -1.634 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.987 1.370 0.448 1.00 15.00 H new ATOM 0 HG22 THR A 503 5.291 0.875 0.664 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.577 -0.355 0.610 1.00 15.00 H new ATOM 454 N THR A 504 3.235 0.126 -3.168 1.00 15.00 N ATOM 455 CA THR A 504 2.637 0.386 -4.462 1.00 15.00 C ATOM 456 C THR A 504 1.743 1.613 -4.423 1.00 15.00 C ATOM 457 O THR A 504 1.190 1.961 -3.384 1.00 15.00 O ATOM 458 CB THR A 504 1.824 -0.830 -4.955 1.00 15.00 C ATOM 459 OG1 THR A 504 1.615 -0.729 -6.367 1.00 15.00 O ATOM 460 CG2 THR A 504 0.476 -0.934 -4.259 1.00 15.00 C ATOM 0 H THR A 504 2.616 0.269 -2.370 1.00 15.00 H new ATOM 0 HA THR A 504 3.454 0.571 -5.159 1.00 15.00 H new ATOM 0 HB THR A 504 2.398 -1.726 -4.717 1.00 15.00 H new ATOM 0 HG1 THR A 504 1.244 -1.571 -6.704 1.00 15.00 H new ATOM 0 HG21 THR A 504 -0.062 -1.803 -4.636 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.628 -1.040 -3.185 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.106 -0.034 -4.456 1.00 15.00 H new ATOM 468 N TRP A 505 1.640 2.293 -5.550 1.00 15.00 N ATOM 469 CA TRP A 505 0.670 3.363 -5.692 1.00 15.00 C ATOM 470 C TRP A 505 -0.544 2.825 -6.442 1.00 15.00 C ATOM 471 O TRP A 505 -1.546 3.520 -6.618 1.00 15.00 O ATOM 472 CB TRP A 505 1.248 4.545 -6.465 1.00 15.00 C ATOM 473 CG TRP A 505 2.681 4.867 -6.164 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.752 4.621 -6.978 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.211 5.509 -4.988 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.903 5.081 -6.400 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.602 5.627 -5.185 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.663 6.005 -3.790 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.438 6.211 -4.248 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.500 6.580 -2.875 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.869 6.681 -3.103 1.00 15.00 C ATOM 0 H TRP A 505 2.213 2.125 -6.377 1.00 15.00 H new ATOM 0 HA TRP A 505 0.393 3.712 -4.697 1.00 15.00 H new ATOM 0 HB2 TRP A 505 1.155 4.341 -7.532 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.643 5.427 -6.255 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.697 4.133 -7.940 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.835 5.025 -6.810 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.603 5.933 -3.598 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.501 6.291 -4.419 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.089 6.965 -1.953 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.495 7.143 -2.354 1.00 15.00 H new ATOM 492 N GLU A 506 -0.424 1.581 -6.891 1.00 15.00 N ATOM 493 CA GLU A 506 -1.447 0.932 -7.698 1.00 15.00 C ATOM 494 C GLU A 506 -2.509 0.306 -6.812 1.00 15.00 C ATOM 495 O GLU A 506 -2.221 -0.106 -5.690 1.00 15.00 O ATOM 496 CB GLU A 506 -0.816 -0.134 -8.585 1.00 15.00 C ATOM 497 CG GLU A 506 0.278 0.406 -9.485 1.00 15.00 C ATOM 498 CD GLU A 506 0.805 -0.638 -10.439 1.00 15.00 C ATOM 499 OE1 GLU A 506 1.534 -1.544 -9.994 1.00 15.00 O ATOM 500 OE2 GLU A 506 0.497 -0.552 -11.647 1.00 15.00 O ATOM 0 H GLU A 506 0.389 0.993 -6.704 1.00 15.00 H new ATOM 0 HA GLU A 506 -1.920 1.686 -8.327 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.403 -0.923 -7.956 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.591 -0.590 -9.201 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -0.108 1.252 -10.053 1.00 15.00 H new ATOM 0 HG3 GLU A 506 1.097 0.781 -8.872 1.00 15.00 H new ATOM 507 N ASP A 507 -3.730 0.235 -7.321 1.00 15.00 N ATOM 508 CA ASP A 507 -4.859 -0.249 -6.537 1.00 15.00 C ATOM 509 C ASP A 507 -4.688 -1.729 -6.165 1.00 15.00 C ATOM 510 O ASP A 507 -4.796 -2.606 -7.000 1.00 15.00 O ATOM 511 CB ASP A 507 -6.167 -0.041 -7.302 1.00 15.00 C ATOM 512 CG ASP A 507 -7.268 0.497 -6.413 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.637 -0.183 -5.439 1.00 15.00 O ATOM 514 OD2 ASP A 507 -7.753 1.623 -6.671 1.00 15.00 O ATOM 0 H ASP A 507 -3.966 0.507 -8.275 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.895 0.327 -5.612 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -5.998 0.651 -8.127 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.485 -0.987 -7.739 1.00 15.00 H new ATOM 519 N PRO A 508 -4.470 -1.996 -4.875 1.00 15.00 N ATOM 520 CA PRO A 508 -4.160 -3.323 -4.304 1.00 15.00 C ATOM 521 C PRO A 508 -5.370 -4.172 -4.178 1.00 15.00 C ATOM 522 O PRO A 508 -5.311 -5.341 -3.828 1.00 15.00 O ATOM 523 CB PRO A 508 -3.596 -3.019 -2.928 1.00 15.00 C ATOM 524 CG PRO A 508 -3.639 -1.543 -2.776 1.00 15.00 C ATOM 525 CD PRO A 508 -4.558 -1.001 -3.820 1.00 15.00 C ATOM 0 HA PRO A 508 -3.471 -3.877 -4.941 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.184 -3.507 -2.151 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.575 -3.390 -2.836 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -3.990 -1.272 -1.780 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -2.641 -1.119 -2.888 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.577 -0.896 -3.447 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.242 -0.017 -4.165 1.00 15.00 H new ATOM 533 N ARG A 509 -6.472 -3.547 -4.411 1.00 15.00 N ATOM 534 CA ARG A 509 -7.728 -4.145 -4.223 1.00 15.00 C ATOM 535 C ARG A 509 -7.938 -4.970 -5.445 1.00 15.00 C ATOM 536 O ARG A 509 -8.878 -5.750 -5.567 1.00 15.00 O ATOM 537 CB ARG A 509 -8.748 -3.061 -3.973 1.00 15.00 C ATOM 538 CG ARG A 509 -8.206 -2.066 -2.960 1.00 15.00 C ATOM 539 CD ARG A 509 -9.251 -1.041 -2.565 1.00 15.00 C ATOM 540 NE ARG A 509 -9.581 -0.167 -3.685 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.667 0.597 -3.750 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.566 0.569 -2.774 1.00 15.00 N ATOM 543 NH2 ARG A 509 -10.851 1.385 -4.803 1.00 15.00 N ATOM 0 H ARG A 509 -6.515 -2.584 -4.745 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.814 -4.796 -3.353 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -8.985 -2.550 -4.906 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.675 -3.500 -3.605 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.866 -2.599 -2.072 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.338 -1.557 -3.379 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.151 -1.550 -2.220 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.882 -0.444 -1.731 1.00 15.00 H new ATOM 0 HE ARG A 509 -8.934 -0.140 -4.473 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.426 -0.041 -1.969 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.397 1.157 -2.829 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -10.162 1.401 -5.555 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -11.682 1.974 -4.860 1.00 15.00 H new ATOM 557 N LEU A 510 -7.015 -4.742 -6.378 1.00 15.00 N ATOM 558 CA LEU A 510 -6.959 -5.535 -7.558 1.00 15.00 C ATOM 559 C LEU A 510 -6.617 -6.983 -7.170 1.00 15.00 C ATOM 560 O LEU A 510 -6.931 -7.944 -7.869 1.00 15.00 O ATOM 561 CB LEU A 510 -5.934 -5.000 -8.592 1.00 15.00 C ATOM 562 CG LEU A 510 -4.436 -5.254 -8.289 1.00 15.00 C ATOM 563 CD1 LEU A 510 -4.010 -6.667 -8.669 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.555 -4.251 -9.015 1.00 15.00 C ATOM 0 H LEU A 510 -6.306 -4.011 -6.320 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.936 -5.489 -8.039 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.165 -5.445 -9.560 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.082 -3.925 -8.692 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.311 -5.134 -7.213 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -2.953 -6.802 -8.440 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.599 -7.389 -8.104 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.173 -6.822 -9.736 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.509 -4.452 -8.785 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.713 -4.339 -10.090 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -3.810 -3.242 -8.692 1.00 15.00 H new ATOM 576 N LYS A 511 -5.935 -7.076 -6.031 1.00 15.00 N ATOM 577 CA LYS A 511 -5.332 -8.300 -5.508 1.00 15.00 C ATOM 578 C LYS A 511 -6.368 -9.205 -4.840 1.00 15.00 C ATOM 579 O LYS A 511 -6.082 -10.351 -4.498 1.00 15.00 O ATOM 580 CB LYS A 511 -4.223 -7.888 -4.531 1.00 15.00 C ATOM 581 CG LYS A 511 -3.699 -8.973 -3.617 1.00 15.00 C ATOM 582 CD LYS A 511 -3.933 -8.616 -2.156 1.00 15.00 C ATOM 583 CE LYS A 511 -2.896 -9.291 -1.260 1.00 15.00 C ATOM 584 NZ LYS A 511 -1.501 -9.079 -1.743 1.00 15.00 N ATOM 0 H LYS A 511 -5.781 -6.271 -5.424 1.00 15.00 H new ATOM 0 HA LYS A 511 -4.913 -8.887 -6.325 1.00 15.00 H new ATOM 0 HB2 LYS A 511 -3.387 -7.494 -5.109 1.00 15.00 H new ATOM 0 HB3 LYS A 511 -4.597 -7.071 -3.913 1.00 15.00 H new ATOM 0 HG2 LYS A 511 -4.192 -9.917 -3.848 1.00 15.00 H new ATOM 0 HG3 LYS A 511 -2.633 -9.119 -3.793 1.00 15.00 H new ATOM 0 HD2 LYS A 511 -3.882 -7.535 -2.028 1.00 15.00 H new ATOM 0 HD3 LYS A 511 -4.935 -8.925 -1.857 1.00 15.00 H new ATOM 0 HE2 LYS A 511 -2.989 -8.903 -0.246 1.00 15.00 H new ATOM 0 HE3 LYS A 511 -3.102 -10.360 -1.212 1.00 15.00 H new ATOM 0 HZ1 LYS A 511 -1.143 -9.958 -2.168 1.00 15.00 H new ATOM 0 HZ2 LYS A 511 -1.492 -8.322 -2.456 1.00 15.00 H new ATOM 0 HZ3 LYS A 511 -0.894 -8.809 -0.943 1.00 15.00 H new ATOM 598 N PHE A 512 -7.574 -8.674 -4.663 1.00 15.00 N ATOM 599 CA PHE A 512 -8.650 -9.330 -3.889 1.00 15.00 C ATOM 600 C PHE A 512 -8.875 -10.849 -4.033 1.00 15.00 C ATOM 601 O PHE A 512 -9.180 -11.543 -3.061 1.00 15.00 O ATOM 602 CB PHE A 512 -9.956 -8.552 -4.004 1.00 15.00 C ATOM 603 CG PHE A 512 -10.035 -7.443 -3.001 1.00 15.00 C ATOM 604 CD1 PHE A 512 -8.933 -6.631 -2.751 1.00 15.00 C ATOM 605 CD2 PHE A 512 -11.198 -7.228 -2.280 1.00 15.00 C ATOM 606 CE1 PHE A 512 -9.005 -5.639 -1.811 1.00 15.00 C ATOM 607 CE2 PHE A 512 -11.265 -6.229 -1.328 1.00 15.00 C ATOM 608 CZ PHE A 512 -10.166 -5.432 -1.094 1.00 15.00 C ATOM 0 H PHE A 512 -7.845 -7.770 -5.051 1.00 15.00 H new ATOM 0 HA PHE A 512 -8.248 -9.285 -2.877 1.00 15.00 H new ATOM 0 HB2 PHE A 512 -10.046 -8.140 -5.009 1.00 15.00 H new ATOM 0 HB3 PHE A 512 -10.797 -9.231 -3.862 1.00 15.00 H new ATOM 0 HD1 PHE A 512 -8.017 -6.784 -3.301 1.00 15.00 H new ATOM 0 HD2 PHE A 512 -12.063 -7.849 -2.464 1.00 15.00 H new ATOM 0 HE1 PHE A 512 -8.145 -5.012 -1.628 1.00 15.00 H new ATOM 0 HE2 PHE A 512 -12.176 -6.073 -0.769 1.00 15.00 H new ATOM 0 HZ PHE A 512 -10.213 -4.648 -0.352 1.00 15.00 H new ATOM 618 N PRO A 513 -8.781 -11.325 -5.230 1.00 15.00 N ATOM 619 CA PRO A 513 -8.818 -12.737 -5.614 1.00 15.00 C ATOM 620 C PRO A 513 -7.842 -13.613 -4.809 1.00 15.00 C ATOM 621 O PRO A 513 -7.870 -14.835 -4.916 1.00 15.00 O ATOM 622 CB PRO A 513 -8.433 -12.691 -7.097 1.00 15.00 C ATOM 623 CG PRO A 513 -8.803 -11.307 -7.539 1.00 15.00 C ATOM 624 CD PRO A 513 -8.660 -10.439 -6.317 1.00 15.00 C ATOM 0 HA PRO A 513 -9.790 -13.191 -5.420 1.00 15.00 H new ATOM 0 HB2 PRO A 513 -7.369 -12.881 -7.237 1.00 15.00 H new ATOM 0 HB3 PRO A 513 -8.970 -13.447 -7.670 1.00 15.00 H new ATOM 0 HG2 PRO A 513 -8.150 -10.964 -8.342 1.00 15.00 H new ATOM 0 HG3 PRO A 513 -9.823 -11.278 -7.923 1.00 15.00 H new ATOM 0 HD2 PRO A 513 -7.697 -9.928 -6.305 1.00 15.00 H new ATOM 0 HD3 PRO A 513 -9.430 -9.668 -6.287 1.00 15.00 H new ATOM 632 N VAL A 514 -6.962 -12.973 -4.029 1.00 15.00 N ATOM 633 CA VAL A 514 -6.003 -13.668 -3.160 1.00 15.00 C ATOM 634 C VAL A 514 -6.682 -14.361 -1.997 1.00 15.00 C ATOM 635 O VAL A 514 -6.077 -15.145 -1.264 1.00 15.00 O ATOM 636 CB VAL A 514 -4.884 -12.731 -2.660 1.00 15.00 C ATOM 637 CG1 VAL A 514 -5.435 -11.661 -1.714 1.00 15.00 C ATOM 638 CG2 VAL A 514 -3.753 -13.512 -2.002 1.00 15.00 C ATOM 0 H VAL A 514 -6.894 -11.956 -3.982 1.00 15.00 H new ATOM 0 HA VAL A 514 -5.539 -14.437 -3.778 1.00 15.00 H new ATOM 0 HB VAL A 514 -4.471 -12.225 -3.533 1.00 15.00 H new ATOM 0 HG11 VAL A 514 -4.621 -11.017 -1.380 1.00 15.00 H new ATOM 0 HG12 VAL A 514 -6.180 -11.062 -2.237 1.00 15.00 H new ATOM 0 HG13 VAL A 514 -5.896 -12.141 -0.851 1.00 15.00 H new ATOM 0 HG21 VAL A 514 -2.983 -12.820 -1.662 1.00 15.00 H new ATOM 0 HG22 VAL A 514 -4.143 -14.068 -1.150 1.00 15.00 H new ATOM 0 HG23 VAL A 514 -3.323 -14.207 -2.723 1.00 15.00 H new ATOM 648 N HIS A 515 -7.945 -14.053 -1.877 1.00 15.00 N ATOM 649 CA HIS A 515 -8.862 -14.665 -0.897 1.00 15.00 C ATOM 650 C HIS A 515 -8.231 -14.802 0.491 1.00 15.00 C ATOM 651 O HIS A 515 -8.135 -13.785 1.206 1.00 15.00 O ATOM 652 CB HIS A 515 -9.379 -16.040 -1.401 1.00 15.00 C ATOM 653 CG HIS A 515 -8.305 -16.953 -1.928 1.00 15.00 C ATOM 654 ND1 HIS A 515 -7.728 -16.776 -3.164 1.00 15.00 N ATOM 655 CD2 HIS A 515 -7.636 -17.979 -1.352 1.00 15.00 C ATOM 656 CE1 HIS A 515 -6.746 -17.632 -3.325 1.00 15.00 C ATOM 657 NE2 HIS A 515 -6.670 -18.387 -2.241 1.00 15.00 N ATOM 658 OXT HIS A 515 -7.864 -15.931 0.880 1.00 15.00 O ATOM 0 H HIS A 515 -8.397 -13.353 -2.465 1.00 15.00 H new ATOM 0 HA HIS A 515 -9.710 -13.988 -0.798 1.00 15.00 H new ATOM 0 HB2 HIS A 515 -9.896 -16.542 -0.583 1.00 15.00 H new ATOM 0 HB3 HIS A 515 -10.114 -15.872 -2.188 1.00 15.00 H new ATOM 0 HD1 HIS A 515 -8.020 -16.083 -3.853 1.00 15.00 H new ATOM 0 HD2 HIS A 515 -7.826 -18.399 -0.375 1.00 15.00 H new ATOM 0 HE1 HIS A 515 -6.109 -17.707 -4.194 1.00 15.00 H new TER 667 HIS A 515 ATOM 668 N ALA B 202 9.916 2.341 9.107 1.00 15.00 N ATOM 669 CA ALA B 202 10.460 0.969 9.007 1.00 15.00 C ATOM 670 C ALA B 202 9.371 -0.025 8.613 1.00 15.00 C ATOM 671 O ALA B 202 9.344 -0.513 7.481 1.00 15.00 O ATOM 672 CB ALA B 202 11.108 0.555 10.321 1.00 15.00 C ATOM 0 HA ALA B 202 11.221 0.964 8.227 1.00 15.00 H new ATOM 0 HB1 ALA B 202 11.503 -0.457 10.229 1.00 15.00 H new ATOM 0 HB2 ALA B 202 11.921 1.241 10.558 1.00 15.00 H new ATOM 0 HB3 ALA B 202 10.365 0.584 11.118 1.00 15.00 H new ATOM 680 N GLY B 203 8.476 -0.325 9.546 1.00 15.00 N ATOM 681 CA GLY B 203 7.402 -1.259 9.272 1.00 15.00 C ATOM 682 C GLY B 203 6.260 -0.603 8.530 1.00 15.00 C ATOM 683 O GLY B 203 5.593 -1.235 7.708 1.00 15.00 O ATOM 0 H GLY B 203 8.475 0.063 10.489 1.00 15.00 H new ATOM 0 HA2 GLY B 203 7.787 -2.092 8.683 1.00 15.00 H new ATOM 0 HA3 GLY B 203 7.034 -1.675 10.210 1.00 15.00 H new HETATM 687 N SEP B 204 6.036 0.666 8.823 1.00 15.00 N HETATM 688 CA SEP B 204 4.992 1.430 8.171 1.00 15.00 C HETATM 689 CB SEP B 204 4.493 2.527 9.106 1.00 15.00 C HETATM 690 OG SEP B 204 5.323 2.639 10.247 1.00 15.00 O HETATM 691 C SEP B 204 5.490 2.025 6.859 1.00 15.00 C HETATM 692 O SEP B 204 6.601 2.551 6.772 1.00 15.00 O HETATM 693 P SEP B 204 6.629 3.593 10.318 1.00 15.00 P HETATM 694 O1P SEP B 204 7.795 2.731 10.528 1.00 15.00 O HETATM 695 O2P SEP B 204 6.463 4.516 11.443 1.00 15.00 O HETATM 696 O3P SEP B 204 6.758 4.335 9.062 1.00 15.00 O HETATM 0 HB3 SEP B 204 4.469 3.479 8.575 1.00 15.00 H new HETATM 0 HB2 SEP B 204 3.471 2.308 9.416 1.00 15.00 H new HETATM 0 HA SEP B 204 4.164 0.761 7.938 1.00 15.00 H new HETATM 0 H SEP B 204 6.326 0.904 9.771 1.00 15.00 H new ATOM 701 N PRO B 205 4.663 1.920 5.820 1.00 15.00 N ATOM 702 CA PRO B 205 4.962 2.467 4.499 1.00 15.00 C ATOM 703 C PRO B 205 5.183 3.977 4.489 1.00 15.00 C ATOM 704 O PRO B 205 4.229 4.746 4.585 1.00 15.00 O ATOM 705 CB PRO B 205 3.714 2.160 3.662 1.00 15.00 C ATOM 706 CG PRO B 205 2.735 1.460 4.551 1.00 15.00 C ATOM 707 CD PRO B 205 3.405 1.172 5.858 1.00 15.00 C ATOM 0 HA PRO B 205 5.887 2.028 4.126 1.00 15.00 H new ATOM 0 HB2 PRO B 205 3.283 3.079 3.266 1.00 15.00 H new ATOM 0 HB3 PRO B 205 3.970 1.534 2.807 1.00 15.00 H new ATOM 0 HG2 PRO B 205 1.852 2.081 4.706 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.396 0.534 4.087 1.00 15.00 H new ATOM 0 HD2 PRO B 205 2.784 1.488 6.696 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.586 0.104 5.980 1.00 15.00 H new ATOM 715 N ASN B 206 6.445 4.397 4.503 1.00 15.00 N ATOM 716 CA ASN B 206 6.804 5.753 4.078 1.00 15.00 C ATOM 717 C ASN B 206 7.779 5.693 2.903 1.00 15.00 C ATOM 718 O ASN B 206 8.009 6.680 2.217 1.00 15.00 O ATOM 719 CB ASN B 206 7.367 6.573 5.246 1.00 15.00 C ATOM 720 CG ASN B 206 7.314 8.092 5.053 1.00 15.00 C ATOM 721 OD1 ASN B 206 7.163 8.831 6.025 1.00 15.00 O ATOM 722 ND2 ASN B 206 7.435 8.576 3.828 1.00 15.00 N ATOM 0 H ASN B 206 7.234 3.824 4.802 1.00 15.00 H new ATOM 0 HA ASN B 206 5.901 6.264 3.743 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.815 6.317 6.150 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.403 6.278 5.411 1.00 15.00 H new ATOM 0 HD21 ASN B 206 7.404 9.584 3.672 1.00 15.00 H new ATOM 0 HD22 ASN B 206 7.559 7.942 3.039 1.00 15.00 H new ATOM 729 N LEU B 207 8.362 4.526 2.674 1.00 15.00 N ATOM 730 CA LEU B 207 9.319 4.366 1.589 1.00 15.00 C ATOM 731 C LEU B 207 8.615 4.402 0.231 1.00 15.00 C ATOM 732 O LEU B 207 7.969 3.434 -0.176 1.00 15.00 O ATOM 733 CB LEU B 207 10.148 3.074 1.745 1.00 15.00 C ATOM 734 CG LEU B 207 9.362 1.757 1.850 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.266 0.577 1.531 1.00 15.00 C ATOM 736 CD2 LEU B 207 8.760 1.583 3.240 1.00 15.00 C ATOM 0 H LEU B 207 8.191 3.682 3.220 1.00 15.00 H new ATOM 0 HA LEU B 207 10.012 5.206 1.638 1.00 15.00 H new ATOM 0 HB2 LEU B 207 10.825 2.999 0.894 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.767 3.173 2.637 1.00 15.00 H new ATOM 0 HG LEU B 207 8.549 1.795 1.125 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.697 -0.349 1.609 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.654 0.680 0.518 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.096 0.553 2.237 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.210 0.643 3.283 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.557 1.572 3.983 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.081 2.410 3.449 1.00 15.00 H new HETATM 748 N SEP B 208 8.702 5.549 -0.430 1.00 15.00 N HETATM 749 CA SEP B 208 8.128 5.728 -1.754 1.00 15.00 C HETATM 750 CB SEP B 208 8.205 7.206 -2.166 1.00 15.00 C HETATM 751 OG SEP B 208 7.612 8.047 -1.196 1.00 15.00 O HETATM 752 C SEP B 208 8.861 4.868 -2.785 1.00 15.00 C HETATM 753 O SEP B 208 10.067 5.036 -2.995 1.00 15.00 O HETATM 754 P SEP B 208 8.460 9.071 -0.279 1.00 15.00 P HETATM 755 O1P SEP B 208 7.552 9.720 0.670 1.00 15.00 O HETATM 756 O2P SEP B 208 9.070 10.071 -1.162 1.00 15.00 O HETATM 757 O3P SEP B 208 9.502 8.315 0.409 1.00 15.00 O HETATM 0 HB3 SEP B 208 9.247 7.491 -2.308 1.00 15.00 H new HETATM 0 HB2 SEP B 208 7.704 7.344 -3.124 1.00 15.00 H new HETATM 0 HA SEP B 208 7.084 5.415 -1.718 1.00 15.00 H new HETATM 0 H SEP B 208 9.078 6.351 0.076 1.00 15.00 H new ATOM 762 N PRO B 209 8.155 3.920 -3.428 1.00 15.00 N ATOM 763 CA PRO B 209 8.729 3.136 -4.516 1.00 15.00 C ATOM 764 C PRO B 209 8.906 3.981 -5.773 1.00 15.00 C ATOM 765 O PRO B 209 7.969 4.642 -6.224 1.00 15.00 O ATOM 766 CB PRO B 209 7.710 2.019 -4.757 1.00 15.00 C ATOM 767 CG PRO B 209 6.429 2.488 -4.157 1.00 15.00 C ATOM 768 CD PRO B 209 6.757 3.553 -3.145 1.00 15.00 C ATOM 0 HA PRO B 209 9.720 2.756 -4.268 1.00 15.00 H new ATOM 0 HB2 PRO B 209 7.592 1.823 -5.823 1.00 15.00 H new ATOM 0 HB3 PRO B 209 8.038 1.087 -4.296 1.00 15.00 H new ATOM 0 HG2 PRO B 209 5.769 2.884 -4.928 1.00 15.00 H new ATOM 0 HG3 PRO B 209 5.903 1.659 -3.683 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.094 4.412 -3.245 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.644 3.180 -2.127 1.00 15.00 H new ATOM 776 N ASN B 210 10.110 3.962 -6.327 1.00 15.00 N ATOM 777 CA ASN B 210 10.425 4.755 -7.508 1.00 15.00 C ATOM 778 C ASN B 210 9.703 4.197 -8.729 1.00 15.00 C ATOM 779 O ASN B 210 9.947 3.058 -9.132 1.00 15.00 O ATOM 780 CB ASN B 210 11.937 4.770 -7.752 1.00 15.00 C ATOM 781 CG ASN B 210 12.708 5.453 -6.636 1.00 15.00 C ATOM 782 OD1 ASN B 210 13.068 4.827 -5.636 1.00 15.00 O ATOM 783 ND2 ASN B 210 12.976 6.737 -6.802 1.00 15.00 N ATOM 0 H ASN B 210 10.888 3.404 -5.976 1.00 15.00 H new ATOM 0 HA ASN B 210 10.087 5.777 -7.338 1.00 15.00 H new ATOM 0 HB2 ASN B 210 12.293 3.745 -7.859 1.00 15.00 H new ATOM 0 HB3 ASN B 210 12.143 5.279 -8.694 1.00 15.00 H new ATOM 0 HD21 ASN B 210 13.498 7.245 -6.088 1.00 15.00 H new ATOM 0 HD22 ASN B 210 12.661 7.219 -7.644 1.00 15.00 H new ATOM 790 N PRO B 211 8.792 4.987 -9.320 1.00 15.00 N ATOM 791 CA PRO B 211 7.991 4.562 -10.475 1.00 15.00 C ATOM 792 C PRO B 211 8.851 4.301 -11.708 1.00 15.00 C ATOM 793 O PRO B 211 9.387 5.280 -12.277 1.00 15.00 O ATOM 794 CB PRO B 211 7.043 5.747 -10.719 1.00 15.00 C ATOM 795 CG PRO B 211 7.087 6.549 -9.462 1.00 15.00 C ATOM 796 CD PRO B 211 8.468 6.364 -8.913 1.00 15.00 C ATOM 797 OXT PRO B 211 8.988 3.124 -12.103 1.00 15.00 O ATOM 0 HA PRO B 211 7.471 3.623 -10.285 1.00 15.00 H new ATOM 0 HB2 PRO B 211 7.365 6.339 -11.575 1.00 15.00 H new ATOM 0 HB3 PRO B 211 6.031 5.404 -10.932 1.00 15.00 H new ATOM 0 HG2 PRO B 211 6.882 7.601 -9.661 1.00 15.00 H new ATOM 0 HG3 PRO B 211 6.334 6.206 -8.752 1.00 15.00 H new ATOM 0 HD2 PRO B 211 9.170 7.086 -9.330 1.00 15.00 H new ATOM 0 HD3 PRO B 211 8.493 6.483 -7.830 1.00 15.00 H new TER 805 PRO B 211