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 499 ASN : amide:sc= -0.414 K(o=0.49,f=-0.68) USER MOD Set 1.2: A 511 LYS NZ :NH3+ -109:sc= 0.9 (180deg=-0.597) USER MOD Single : A 476 GLN :FLIP amide:sc= 0.376 F(o=-0.65,f=0.38) USER MOD Single : A 477 SER OG : rot 117:sc= 1.4 USER MOD Single : A 485 MET CE :methyl -167:sc= -1.12 (180deg=-1.37) USER MOD Single : A 490 ASN : amide:sc= -8.23! C(o=-8.2!,f=-18!) USER MOD Single : A 496 TYR OH : rot 180:sc= 0 USER MOD Single : A 498 HIS : no HE2:sc= -2.49 K(o=-2.5,f=-7.7!) USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 180:sc= -0.9 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 515 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-8.6!) USER MOD Single : B 206 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : B 210 ASN : amide:sc= 0.878 K(o=0.88,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 476 -9.916 -4.030 7.892 1.00 15.00 N ATOM 2 CA GLN A 476 -9.643 -3.472 6.548 1.00 15.00 C ATOM 3 C GLN A 476 -10.676 -2.412 6.201 1.00 15.00 C ATOM 4 O GLN A 476 -11.881 -2.644 6.302 1.00 15.00 O ATOM 5 CB GLN A 476 -9.627 -4.568 5.473 1.00 15.00 C ATOM 6 CG GLN A 476 -10.749 -5.590 5.583 1.00 15.00 C ATOM 7 CD GLN A 476 -10.377 -6.783 6.447 1.00 15.00 C ATOM 8 OE1 GLN A 476 -10.949 -7.934 6.142 1.00 15.00 O flip ATOM 9 NE2 GLN A 476 -9.578 -6.673 7.376 1.00 15.00 N flip ATOM 0 HA GLN A 476 -8.653 -3.016 6.572 1.00 15.00 H new ATOM 0 HB2 GLN A 476 -9.681 -4.095 4.492 1.00 15.00 H new ATOM 0 HB3 GLN A 476 -8.672 -5.091 5.523 1.00 15.00 H new ATOM 0 HG2 GLN A 476 -11.634 -5.108 5.999 1.00 15.00 H new ATOM 0 HG3 GLN A 476 -11.015 -5.939 4.585 1.00 15.00 H new ATOM 0 HE21 GLN A 476 -9.156 -5.767 7.582 1.00 15.00 H new ATOM 0 HE22 GLN A 476 -9.337 -7.488 7.941 1.00 15.00 H new ATOM 18 N SER A 477 -10.195 -1.257 5.778 1.00 15.00 N ATOM 19 CA SER A 477 -11.064 -0.118 5.523 1.00 15.00 C ATOM 20 C SER A 477 -11.428 -0.003 4.041 1.00 15.00 C ATOM 21 O SER A 477 -12.530 -0.374 3.636 1.00 15.00 O ATOM 22 CB SER A 477 -10.356 1.152 5.992 1.00 15.00 C ATOM 23 OG SER A 477 -9.015 1.177 5.520 1.00 15.00 O ATOM 0 H SER A 477 -9.206 -1.081 5.603 1.00 15.00 H new ATOM 0 HA SER A 477 -11.995 -0.258 6.073 1.00 15.00 H new ATOM 0 HB2 SER A 477 -10.892 2.029 5.630 1.00 15.00 H new ATOM 0 HB3 SER A 477 -10.366 1.200 7.081 1.00 15.00 H new ATOM 0 HG SER A 477 -8.894 1.942 4.919 1.00 15.00 H new ATOM 29 N PHE A 478 -10.483 0.460 3.227 1.00 15.00 N ATOM 30 CA PHE A 478 -10.741 0.648 1.794 1.00 15.00 C ATOM 31 C PHE A 478 -10.314 -0.683 1.240 1.00 15.00 C ATOM 32 O PHE A 478 -10.815 -1.215 0.252 1.00 15.00 O ATOM 33 CB PHE A 478 -9.688 1.478 1.061 1.00 15.00 C ATOM 34 CG PHE A 478 -8.964 2.435 1.906 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.533 3.183 2.913 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.586 2.380 1.794 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.713 3.848 3.798 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.800 3.057 2.627 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.340 3.771 3.630 1.00 15.00 C ATOM 0 H PHE A 478 -9.541 0.711 3.526 1.00 15.00 H new ATOM 0 HA PHE A 478 -11.744 1.059 1.682 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -8.967 0.802 0.602 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.174 2.023 0.252 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.607 3.247 3.007 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.141 1.777 1.017 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.134 4.421 4.611 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.728 3.033 2.497 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.692 4.294 4.317 1.00 15.00 H new ATOM 49 N LEU A 479 -9.321 -1.166 1.984 1.00 15.00 N ATOM 50 CA LEU A 479 -8.090 -1.674 1.441 1.00 15.00 C ATOM 51 C LEU A 479 -7.777 -3.054 2.040 1.00 15.00 C ATOM 52 O LEU A 479 -8.071 -3.302 3.207 1.00 15.00 O ATOM 53 CB LEU A 479 -7.014 -0.553 1.722 1.00 15.00 C ATOM 54 CG LEU A 479 -5.626 -0.733 1.116 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.595 -0.090 -0.249 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.547 -0.096 1.971 1.00 15.00 C ATOM 0 H LEU A 479 -9.363 -1.210 3.002 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.123 -1.861 0.368 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.416 0.395 1.363 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.899 -0.462 2.802 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.428 -1.803 1.053 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.605 -0.215 -0.688 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.339 -0.562 -0.891 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -5.819 0.973 -0.156 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.575 -0.248 1.503 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.741 0.972 2.066 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.549 -0.554 2.960 1.00 15.00 H new ATOM 68 N PRO A 480 -7.168 -3.952 1.233 1.00 15.00 N ATOM 69 CA PRO A 480 -7.032 -5.399 1.552 1.00 15.00 C ATOM 70 C PRO A 480 -6.246 -5.685 2.860 1.00 15.00 C ATOM 71 O PRO A 480 -5.694 -4.773 3.480 1.00 15.00 O ATOM 72 CB PRO A 480 -6.257 -5.959 0.340 1.00 15.00 C ATOM 73 CG PRO A 480 -6.223 -4.898 -0.705 1.00 15.00 C ATOM 74 CD PRO A 480 -6.538 -3.596 -0.048 1.00 15.00 C ATOM 0 HA PRO A 480 -8.009 -5.852 1.719 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.245 -6.242 0.631 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.742 -6.857 -0.042 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.241 -4.859 -1.177 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -6.947 -5.114 -1.491 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.635 -3.005 0.108 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.209 -2.997 -0.663 1.00 15.00 H new ATOM 82 N PRO A 481 -6.159 -6.974 3.278 1.00 15.00 N ATOM 83 CA PRO A 481 -5.442 -7.399 4.502 1.00 15.00 C ATOM 84 C PRO A 481 -3.913 -7.489 4.335 1.00 15.00 C ATOM 85 O PRO A 481 -3.250 -8.271 5.022 1.00 15.00 O ATOM 86 CB PRO A 481 -6.014 -8.803 4.782 1.00 15.00 C ATOM 87 CG PRO A 481 -7.113 -9.008 3.792 1.00 15.00 C ATOM 88 CD PRO A 481 -6.790 -8.126 2.627 1.00 15.00 C ATOM 0 HA PRO A 481 -5.588 -6.674 5.303 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.244 -9.566 4.673 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.391 -8.874 5.802 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.172 -10.052 3.486 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.080 -8.747 4.223 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.118 -8.614 1.921 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.684 -7.841 2.072 1.00 15.00 H new ATOM 96 N GLY A 482 -3.362 -6.651 3.468 1.00 15.00 N ATOM 97 CA GLY A 482 -1.925 -6.594 3.245 1.00 15.00 C ATOM 98 C GLY A 482 -1.420 -5.238 3.580 1.00 15.00 C ATOM 99 O GLY A 482 -0.244 -4.965 3.491 1.00 15.00 O ATOM 0 H GLY A 482 -3.897 -5.993 2.901 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.422 -7.342 3.858 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.699 -6.830 2.205 1.00 15.00 H new ATOM 103 N TRP A 483 -2.322 -4.381 3.966 1.00 15.00 N ATOM 104 CA TRP A 483 -2.195 -3.026 3.538 1.00 15.00 C ATOM 105 C TRP A 483 -2.192 -1.989 4.615 1.00 15.00 C ATOM 106 O TRP A 483 -2.986 -1.990 5.557 1.00 15.00 O ATOM 107 CB TRP A 483 -3.284 -2.794 2.527 1.00 15.00 C ATOM 108 CG TRP A 483 -3.125 -3.750 1.412 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.765 -4.913 1.226 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.196 -3.667 0.382 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.278 -5.557 0.130 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.342 -4.805 -0.404 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.265 -2.746 0.035 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.614 -5.055 -1.497 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.516 -2.989 -1.064 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.685 -4.132 -1.834 1.00 15.00 C ATOM 0 H TRP A 483 -3.127 -4.590 4.557 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.200 -2.901 3.111 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.261 -2.920 2.993 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.238 -1.771 2.154 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.557 -5.287 1.858 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.586 -6.465 -0.217 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.126 -1.847 0.617 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.761 -5.951 -2.082 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.238 -2.271 -1.352 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.070 -4.285 -2.708 1.00 15.00 H new ATOM 127 N GLU A 484 -1.279 -1.079 4.402 1.00 15.00 N ATOM 128 CA GLU A 484 -1.114 0.084 5.235 1.00 15.00 C ATOM 129 C GLU A 484 -1.226 1.317 4.357 1.00 15.00 C ATOM 130 O GLU A 484 -0.423 1.503 3.441 1.00 15.00 O ATOM 131 CB GLU A 484 0.247 0.029 5.940 1.00 15.00 C ATOM 132 CG GLU A 484 0.460 1.084 7.001 1.00 15.00 C ATOM 133 CD GLU A 484 -0.731 1.226 7.927 1.00 15.00 C ATOM 134 OE1 GLU A 484 -1.718 1.891 7.548 1.00 15.00 O ATOM 135 OE2 GLU A 484 -0.690 0.652 9.033 1.00 15.00 O ATOM 0 H GLU A 484 -0.615 -1.126 3.629 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.885 0.118 6.004 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.363 -0.954 6.398 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.032 0.126 5.190 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.344 0.832 7.587 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.659 2.042 6.521 1.00 15.00 H new ATOM 142 N MET A 485 -2.232 2.137 4.611 1.00 15.00 N ATOM 143 CA MET A 485 -2.422 3.345 3.835 1.00 15.00 C ATOM 144 C MET A 485 -1.660 4.473 4.486 1.00 15.00 C ATOM 145 O MET A 485 -2.017 4.942 5.571 1.00 15.00 O ATOM 146 CB MET A 485 -3.895 3.720 3.738 1.00 15.00 C ATOM 147 CG MET A 485 -4.190 4.846 2.746 1.00 15.00 C ATOM 148 SD MET A 485 -3.692 6.485 3.319 1.00 15.00 S ATOM 149 CE MET A 485 -4.302 7.501 1.978 1.00 15.00 C ATOM 0 H MET A 485 -2.925 1.987 5.345 1.00 15.00 H new ATOM 0 HA MET A 485 -2.052 3.167 2.825 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.465 2.837 3.449 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.248 4.018 4.725 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.680 4.631 1.807 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.259 4.857 2.533 1.00 15.00 H new ATOM 0 HE1 MET A 485 -3.879 8.502 2.059 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.010 7.060 1.025 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.389 7.561 2.032 1.00 15.00 H new ATOM 159 N ARG A 486 -0.590 4.880 3.848 1.00 15.00 N ATOM 160 CA ARG A 486 0.206 5.969 4.350 1.00 15.00 C ATOM 161 C ARG A 486 0.334 7.044 3.290 1.00 15.00 C ATOM 162 O ARG A 486 0.934 6.836 2.241 1.00 15.00 O ATOM 163 CB ARG A 486 1.582 5.472 4.792 1.00 15.00 C ATOM 164 CG ARG A 486 1.531 4.477 5.940 1.00 15.00 C ATOM 165 CD ARG A 486 1.168 5.143 7.255 1.00 15.00 C ATOM 166 NE ARG A 486 2.290 5.896 7.816 1.00 15.00 N ATOM 167 CZ ARG A 486 2.162 6.984 8.570 1.00 15.00 C ATOM 168 NH1 ARG A 486 0.958 7.500 8.815 1.00 15.00 N ATOM 169 NH2 ARG A 486 3.247 7.552 9.078 1.00 15.00 N ATOM 0 H ARG A 486 -0.251 4.471 2.977 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.290 6.396 5.222 1.00 15.00 H new ATOM 0 HB2 ARG A 486 2.081 5.007 3.942 1.00 15.00 H new ATOM 0 HB3 ARG A 486 2.189 6.327 5.090 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.801 3.700 5.714 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.499 3.986 6.037 1.00 15.00 H new ATOM 0 HD2 ARG A 486 0.323 5.813 7.101 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.847 4.385 7.969 1.00 15.00 H new ATOM 0 HE ARG A 486 3.233 5.564 7.615 1.00 15.00 H new ATOM 0 HH11 ARG A 486 0.125 7.060 8.423 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.869 8.335 9.394 1.00 15.00 H new ATOM 0 HH21 ARG A 486 4.167 7.154 8.889 1.00 15.00 H new ATOM 0 HH22 ARG A 486 3.162 8.387 9.658 1.00 15.00 H new ATOM 183 N ILE A 487 -0.275 8.173 3.566 1.00 15.00 N ATOM 184 CA ILE A 487 -0.148 9.352 2.734 1.00 15.00 C ATOM 185 C ILE A 487 1.024 10.159 3.224 1.00 15.00 C ATOM 186 O ILE A 487 1.061 10.624 4.365 1.00 15.00 O ATOM 187 CB ILE A 487 -1.449 10.156 2.704 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.212 11.541 2.062 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.067 10.213 4.089 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.396 12.478 2.172 1.00 15.00 C ATOM 0 H ILE A 487 -0.877 8.303 4.379 1.00 15.00 H new ATOM 0 HA ILE A 487 0.039 9.061 1.700 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.181 9.655 2.070 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.347 12.007 2.535 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -0.965 11.405 1.009 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -2.992 10.788 4.051 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.283 9.201 4.433 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.371 10.690 4.779 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.153 13.429 1.698 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.258 12.035 1.674 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.631 12.646 3.223 1.00 15.00 H new ATOM 202 N ALA A 488 2.001 10.284 2.354 1.00 15.00 N ATOM 203 CA ALA A 488 3.277 10.821 2.726 1.00 15.00 C ATOM 204 C ALA A 488 3.267 12.328 2.548 1.00 15.00 C ATOM 205 O ALA A 488 2.540 12.839 1.696 1.00 15.00 O ATOM 206 CB ALA A 488 4.366 10.219 1.878 1.00 15.00 C ATOM 0 H ALA A 488 1.927 10.015 1.373 1.00 15.00 H new ATOM 0 HA ALA A 488 3.470 10.578 3.771 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.329 10.636 2.172 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.381 9.138 2.018 1.00 15.00 H new ATOM 0 HB3 ALA A 488 4.177 10.446 0.829 1.00 15.00 H new ATOM 212 N PRO A 489 4.049 13.058 3.354 1.00 15.00 N ATOM 213 CA PRO A 489 4.097 14.530 3.322 1.00 15.00 C ATOM 214 C PRO A 489 4.526 15.118 1.972 1.00 15.00 C ATOM 215 O PRO A 489 4.665 16.336 1.841 1.00 15.00 O ATOM 216 CB PRO A 489 5.132 14.880 4.394 1.00 15.00 C ATOM 217 CG PRO A 489 5.185 13.685 5.279 1.00 15.00 C ATOM 218 CD PRO A 489 4.944 12.508 4.386 1.00 15.00 C ATOM 0 HA PRO A 489 3.104 14.946 3.492 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.106 15.087 3.950 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.839 15.771 4.950 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.152 13.608 5.775 1.00 15.00 H new ATOM 0 HG3 PRO A 489 4.429 13.744 6.062 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.872 12.130 3.957 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.481 11.681 4.924 1.00 15.00 H new ATOM 226 N ASN A 490 4.743 14.273 0.968 1.00 15.00 N ATOM 227 CA ASN A 490 5.064 14.757 -0.362 1.00 15.00 C ATOM 228 C ASN A 490 3.827 14.669 -1.240 1.00 15.00 C ATOM 229 O ASN A 490 3.779 15.244 -2.329 1.00 15.00 O ATOM 230 CB ASN A 490 6.249 13.987 -0.968 1.00 15.00 C ATOM 231 CG ASN A 490 6.021 12.491 -1.001 1.00 15.00 C ATOM 232 OD1 ASN A 490 5.141 11.977 -0.318 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.821 11.765 -1.766 1.00 15.00 N ATOM 0 H ASN A 490 4.702 13.257 1.053 1.00 15.00 H new ATOM 0 HA ASN A 490 5.373 15.800 -0.297 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.429 14.345 -1.982 1.00 15.00 H new ATOM 0 HB3 ASN A 490 7.148 14.200 -0.390 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.714 10.751 -1.798 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.544 12.219 -2.323 1.00 15.00 H new ATOM 240 N GLY A 491 2.831 13.923 -0.768 1.00 15.00 N ATOM 241 CA GLY A 491 1.619 13.739 -1.536 1.00 15.00 C ATOM 242 C GLY A 491 1.565 12.352 -2.114 1.00 15.00 C ATOM 243 O GLY A 491 0.961 12.120 -3.163 1.00 15.00 O ATOM 0 H GLY A 491 2.845 13.444 0.133 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.750 13.908 -0.900 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.575 14.475 -2.338 1.00 15.00 H new ATOM 247 N ARG A 492 2.220 11.431 -1.426 1.00 15.00 N ATOM 248 CA ARG A 492 2.334 10.063 -1.880 1.00 15.00 C ATOM 249 C ARG A 492 1.676 9.102 -0.903 1.00 15.00 C ATOM 250 O ARG A 492 2.250 8.769 0.125 1.00 15.00 O ATOM 251 CB ARG A 492 3.808 9.694 -2.050 1.00 15.00 C ATOM 252 CG ARG A 492 4.496 10.480 -3.140 1.00 15.00 C ATOM 253 CD ARG A 492 5.173 9.618 -4.191 1.00 15.00 C ATOM 254 NE ARG A 492 6.625 9.543 -3.997 1.00 15.00 N ATOM 255 CZ ARG A 492 7.513 9.501 -4.993 1.00 15.00 C ATOM 256 NH1 ARG A 492 7.111 9.427 -6.259 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.807 9.511 -4.715 1.00 15.00 N ATOM 0 H ARG A 492 2.686 11.615 -0.538 1.00 15.00 H new ATOM 0 HA ARG A 492 1.821 9.981 -2.838 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.329 9.861 -1.107 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.886 8.630 -2.274 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.763 11.122 -3.629 1.00 15.00 H new ATOM 0 HG3 ARG A 492 5.241 11.134 -2.687 1.00 15.00 H new ATOM 0 HD2 ARG A 492 4.752 8.613 -4.160 1.00 15.00 H new ATOM 0 HD3 ARG A 492 4.961 10.022 -5.181 1.00 15.00 H new ATOM 0 HE ARG A 492 6.979 9.522 -3.041 1.00 15.00 H new ATOM 0 HH11 ARG A 492 6.115 9.402 -6.477 1.00 15.00 H new ATOM 0 HH12 ARG A 492 7.799 9.396 -7.011 1.00 15.00 H new ATOM 0 HH21 ARG A 492 9.120 9.551 -3.745 1.00 15.00 H new ATOM 0 HH22 ARG A 492 9.491 9.479 -5.471 1.00 15.00 H new ATOM 271 N PRO A 493 0.440 8.690 -1.176 1.00 15.00 N ATOM 272 CA PRO A 493 -0.214 7.630 -0.431 1.00 15.00 C ATOM 273 C PRO A 493 0.071 6.296 -1.033 1.00 15.00 C ATOM 274 O PRO A 493 -0.460 5.921 -2.082 1.00 15.00 O ATOM 275 CB PRO A 493 -1.700 8.002 -0.509 1.00 15.00 C ATOM 276 CG PRO A 493 -1.710 9.329 -1.190 1.00 15.00 C ATOM 277 CD PRO A 493 -0.504 9.315 -2.081 1.00 15.00 C ATOM 0 HA PRO A 493 0.134 7.547 0.599 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.267 7.261 -1.073 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.149 8.060 0.483 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.625 9.471 -1.766 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.658 10.144 -0.468 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.660 8.737 -2.992 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.195 10.314 -2.387 1.00 15.00 H new ATOM 285 N PHE A 494 0.986 5.611 -0.370 1.00 15.00 N ATOM 286 CA PHE A 494 1.502 4.393 -0.854 1.00 15.00 C ATOM 287 C PHE A 494 0.565 3.359 -0.268 1.00 15.00 C ATOM 288 O PHE A 494 0.414 3.312 0.955 1.00 15.00 O ATOM 289 CB PHE A 494 2.868 4.103 -0.237 1.00 15.00 C ATOM 290 CG PHE A 494 3.694 5.297 0.186 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.576 5.761 1.491 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.616 5.907 -0.636 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.340 6.778 1.956 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.383 6.967 -0.169 1.00 15.00 C ATOM 295 CZ PHE A 494 5.244 7.393 1.137 1.00 15.00 C ATOM 0 H PHE A 494 1.379 5.907 0.524 1.00 15.00 H new ATOM 0 HA PHE A 494 1.589 4.401 -1.941 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.718 3.468 0.636 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.449 3.526 -0.956 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.857 5.299 2.151 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.743 5.559 -1.650 1.00 15.00 H new ATOM 0 HE1 PHE A 494 4.234 7.105 2.980 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.086 7.457 -0.826 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.847 8.208 1.509 1.00 15.00 H new ATOM 305 N PHE A 495 -0.075 2.556 -1.059 1.00 15.00 N ATOM 306 CA PHE A 495 -0.819 1.472 -0.484 1.00 15.00 C ATOM 307 C PHE A 495 0.163 0.305 -0.399 1.00 15.00 C ATOM 308 O PHE A 495 0.500 -0.289 -1.416 1.00 15.00 O ATOM 309 CB PHE A 495 -2.029 1.092 -1.341 1.00 15.00 C ATOM 310 CG PHE A 495 -3.033 2.199 -1.522 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.272 3.117 -0.511 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.742 2.318 -2.706 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.191 4.134 -0.681 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.665 3.330 -2.881 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.888 4.242 -1.868 1.00 15.00 C ATOM 0 H PHE A 495 -0.101 2.623 -2.076 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.219 1.749 0.492 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.678 0.772 -2.322 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.527 0.236 -0.886 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -2.733 3.036 0.421 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -3.571 1.610 -3.503 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -4.364 4.844 0.114 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -5.212 3.408 -3.809 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.606 5.038 -2.004 1.00 15.00 H new ATOM 325 N TYR A 496 0.710 0.042 0.781 1.00 15.00 N ATOM 326 CA TYR A 496 1.824 -0.903 0.886 1.00 15.00 C ATOM 327 C TYR A 496 1.406 -2.236 1.510 1.00 15.00 C ATOM 328 O TYR A 496 0.782 -2.280 2.574 1.00 15.00 O ATOM 329 CB TYR A 496 3.007 -0.242 1.625 1.00 15.00 C ATOM 330 CG TYR A 496 3.965 -1.195 2.337 1.00 15.00 C ATOM 331 CD1 TYR A 496 4.961 -1.889 1.647 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.892 -1.374 3.710 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.838 -2.726 2.311 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.766 -2.215 4.375 1.00 15.00 C ATOM 335 CZ TYR A 496 5.734 -2.885 3.671 1.00 15.00 C ATOM 336 OH TYR A 496 6.608 -3.716 4.332 1.00 15.00 O ATOM 0 H TYR A 496 0.412 0.457 1.664 1.00 15.00 H new ATOM 0 HA TYR A 496 2.155 -1.153 -0.122 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.577 0.345 0.905 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.607 0.456 2.360 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.048 -1.770 0.577 1.00 15.00 H new ATOM 0 HD2 TYR A 496 3.136 -0.845 4.272 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.603 -3.254 1.761 1.00 15.00 H new ATOM 0 HE2 TYR A 496 4.687 -2.344 5.444 1.00 15.00 H new ATOM 0 HH TYR A 496 6.399 -3.716 5.289 1.00 15.00 H new ATOM 346 N ASP A 497 1.795 -3.314 0.822 1.00 15.00 N ATOM 347 CA ASP A 497 1.415 -4.690 1.163 1.00 15.00 C ATOM 348 C ASP A 497 2.448 -5.268 2.128 1.00 15.00 C ATOM 349 O ASP A 497 3.626 -4.952 2.013 1.00 15.00 O ATOM 350 CB ASP A 497 1.436 -5.549 -0.095 1.00 15.00 C ATOM 351 CG ASP A 497 1.060 -6.981 0.190 1.00 15.00 C ATOM 352 OD1 ASP A 497 -0.130 -7.248 0.440 1.00 15.00 O ATOM 353 OD2 ASP A 497 1.958 -7.839 0.184 1.00 15.00 O ATOM 0 H ASP A 497 2.393 -3.255 -0.002 1.00 15.00 H new ATOM 0 HA ASP A 497 0.421 -4.685 1.610 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.746 -5.133 -0.829 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.431 -5.517 -0.539 1.00 15.00 H new ATOM 358 N HIS A 498 2.034 -6.131 3.042 1.00 15.00 N ATOM 359 CA HIS A 498 2.954 -6.690 4.031 1.00 15.00 C ATOM 360 C HIS A 498 3.143 -8.187 3.806 1.00 15.00 C ATOM 361 O HIS A 498 3.846 -8.855 4.563 1.00 15.00 O ATOM 362 CB HIS A 498 2.449 -6.421 5.457 1.00 15.00 C ATOM 363 CG HIS A 498 2.327 -4.961 5.789 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.606 -4.088 5.015 1.00 15.00 N ATOM 365 CD2 HIS A 498 2.834 -4.216 6.802 1.00 15.00 C ATOM 366 CE1 HIS A 498 1.666 -2.890 5.517 1.00 15.00 C ATOM 367 NE2 HIS A 498 2.403 -2.925 6.609 1.00 15.00 N ATOM 0 H HIS A 498 1.072 -6.461 3.123 1.00 15.00 H new ATOM 0 HA HIS A 498 3.920 -6.199 3.911 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.476 -6.896 5.584 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.128 -6.891 6.168 1.00 15.00 H new ATOM 0 HD1 HIS A 498 1.097 -4.342 4.168 1.00 15.00 H new ATOM 0 HD2 HIS A 498 3.459 -4.570 7.609 1.00 15.00 H new ATOM 0 HE1 HIS A 498 1.190 -2.011 5.107 1.00 15.00 H new ATOM 376 N ASN A 499 2.527 -8.707 2.748 1.00 15.00 N ATOM 377 CA ASN A 499 2.682 -10.116 2.393 1.00 15.00 C ATOM 378 C ASN A 499 3.925 -10.269 1.529 1.00 15.00 C ATOM 379 O ASN A 499 4.737 -11.174 1.722 1.00 15.00 O ATOM 380 CB ASN A 499 1.463 -10.647 1.618 1.00 15.00 C ATOM 381 CG ASN A 499 0.123 -10.359 2.283 1.00 15.00 C ATOM 382 OD1 ASN A 499 -0.892 -10.202 1.604 1.00 15.00 O ATOM 383 ND2 ASN A 499 0.094 -10.301 3.604 1.00 15.00 N ATOM 0 H ASN A 499 1.918 -8.178 2.124 1.00 15.00 H new ATOM 0 HA ASN A 499 2.772 -10.692 3.314 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.462 -10.208 0.620 1.00 15.00 H new ATOM 0 HB3 ASN A 499 1.569 -11.725 1.492 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -0.786 -10.122 4.087 1.00 15.00 H new ATOM 0 HD22 ASN A 499 0.952 -10.435 4.139 1.00 15.00 H new ATOM 390 N THR A 500 4.040 -9.379 0.557 1.00 15.00 N ATOM 391 CA THR A 500 5.201 -9.321 -0.312 1.00 15.00 C ATOM 392 C THR A 500 6.047 -8.098 0.045 1.00 15.00 C ATOM 393 O THR A 500 7.144 -7.899 -0.482 1.00 15.00 O ATOM 394 CB THR A 500 4.765 -9.246 -1.790 1.00 15.00 C ATOM 395 OG1 THR A 500 3.700 -10.178 -2.023 1.00 15.00 O ATOM 396 CG2 THR A 500 5.924 -9.561 -2.727 1.00 15.00 C ATOM 0 H THR A 500 3.330 -8.677 0.349 1.00 15.00 H new ATOM 0 HA THR A 500 5.793 -10.225 -0.171 1.00 15.00 H new ATOM 0 HB THR A 500 4.427 -8.230 -1.993 1.00 15.00 H new ATOM 0 HG1 THR A 500 3.422 -10.129 -2.961 1.00 15.00 H new ATOM 0 HG21 THR A 500 5.583 -9.500 -3.761 1.00 15.00 H new ATOM 0 HG22 THR A 500 6.727 -8.842 -2.566 1.00 15.00 H new ATOM 0 HG23 THR A 500 6.292 -10.567 -2.525 1.00 15.00 H new ATOM 404 N LYS A 501 5.514 -7.290 0.964 1.00 15.00 N ATOM 405 CA LYS A 501 6.170 -6.065 1.426 1.00 15.00 C ATOM 406 C LYS A 501 6.444 -5.134 0.252 1.00 15.00 C ATOM 407 O LYS A 501 7.553 -4.617 0.092 1.00 15.00 O ATOM 408 CB LYS A 501 7.467 -6.381 2.174 1.00 15.00 C ATOM 409 CG LYS A 501 7.288 -7.402 3.294 1.00 15.00 C ATOM 410 CD LYS A 501 8.594 -7.694 4.017 1.00 15.00 C ATOM 411 CE LYS A 501 9.621 -8.324 3.091 1.00 15.00 C ATOM 412 NZ LYS A 501 10.862 -8.700 3.818 1.00 15.00 N ATOM 0 H LYS A 501 4.614 -7.467 1.410 1.00 15.00 H new ATOM 0 HA LYS A 501 5.496 -5.563 2.120 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.204 -6.757 1.465 1.00 15.00 H new ATOM 0 HB3 LYS A 501 7.869 -5.459 2.594 1.00 15.00 H new ATOM 0 HG2 LYS A 501 6.554 -7.030 4.009 1.00 15.00 H new ATOM 0 HG3 LYS A 501 6.889 -8.328 2.880 1.00 15.00 H new ATOM 0 HD2 LYS A 501 8.996 -6.769 4.430 1.00 15.00 H new ATOM 0 HD3 LYS A 501 8.403 -8.362 4.857 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.192 -9.209 2.621 1.00 15.00 H new ATOM 0 HE3 LYS A 501 9.866 -7.626 2.291 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 11.538 -9.126 3.153 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 11.285 -7.851 4.245 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 10.632 -9.386 4.565 1.00 15.00 H new ATOM 426 N THR A 502 5.416 -4.903 -0.545 1.00 15.00 N ATOM 427 CA THR A 502 5.556 -4.110 -1.752 1.00 15.00 C ATOM 428 C THR A 502 4.795 -2.793 -1.631 1.00 15.00 C ATOM 429 O THR A 502 3.638 -2.762 -1.207 1.00 15.00 O ATOM 430 CB THR A 502 5.078 -4.897 -3.000 1.00 15.00 C ATOM 431 OG1 THR A 502 5.197 -4.094 -4.180 1.00 15.00 O ATOM 432 CG2 THR A 502 3.637 -5.362 -2.850 1.00 15.00 C ATOM 0 H THR A 502 4.473 -5.254 -0.377 1.00 15.00 H new ATOM 0 HA THR A 502 6.615 -3.886 -1.877 1.00 15.00 H new ATOM 0 HB THR A 502 5.718 -5.775 -3.091 1.00 15.00 H new ATOM 0 HG1 THR A 502 4.893 -4.608 -4.957 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.337 -5.910 -3.743 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.554 -6.013 -1.980 1.00 15.00 H new ATOM 0 HG23 THR A 502 2.987 -4.497 -2.719 1.00 15.00 H new ATOM 440 N THR A 503 5.466 -1.707 -1.974 1.00 15.00 N ATOM 441 CA THR A 503 4.851 -0.394 -2.000 1.00 15.00 C ATOM 442 C THR A 503 4.258 -0.137 -3.384 1.00 15.00 C ATOM 443 O THR A 503 4.911 -0.392 -4.398 1.00 15.00 O ATOM 444 CB THR A 503 5.900 0.689 -1.665 1.00 15.00 C ATOM 445 OG1 THR A 503 7.170 0.315 -2.214 1.00 15.00 O ATOM 446 CG2 THR A 503 6.044 0.893 -0.167 1.00 15.00 C ATOM 0 H THR A 503 6.450 -1.712 -2.242 1.00 15.00 H new ATOM 0 HA THR A 503 4.057 -0.354 -1.254 1.00 15.00 H new ATOM 0 HB THR A 503 5.558 1.627 -2.103 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.834 1.004 -2.002 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.791 1.663 0.025 1.00 15.00 H new ATOM 0 HG22 THR A 503 5.087 1.204 0.252 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.357 -0.041 0.299 1.00 15.00 H new ATOM 454 N THR A 504 3.021 0.337 -3.438 1.00 15.00 N ATOM 455 CA THR A 504 2.362 0.545 -4.715 1.00 15.00 C ATOM 456 C THR A 504 1.445 1.759 -4.670 1.00 15.00 C ATOM 457 O THR A 504 0.935 2.117 -3.618 1.00 15.00 O ATOM 458 CB THR A 504 1.549 -0.700 -5.137 1.00 15.00 C ATOM 459 OG1 THR A 504 1.265 -0.644 -6.541 1.00 15.00 O ATOM 460 CG2 THR A 504 0.239 -0.811 -4.372 1.00 15.00 C ATOM 0 H THR A 504 2.461 0.582 -2.621 1.00 15.00 H new ATOM 0 HA THR A 504 3.145 0.720 -5.453 1.00 15.00 H new ATOM 0 HB THR A 504 2.155 -1.576 -4.906 1.00 15.00 H new ATOM 0 HG1 THR A 504 0.751 -1.436 -6.803 1.00 15.00 H new ATOM 0 HG21 THR A 504 -0.300 -1.700 -4.700 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.446 -0.886 -3.305 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.369 0.073 -4.562 1.00 15.00 H new ATOM 468 N TRP A 505 1.274 2.415 -5.804 1.00 15.00 N ATOM 469 CA TRP A 505 0.284 3.476 -5.910 1.00 15.00 C ATOM 470 C TRP A 505 -0.933 2.936 -6.654 1.00 15.00 C ATOM 471 O TRP A 505 -1.926 3.635 -6.857 1.00 15.00 O ATOM 472 CB TRP A 505 0.831 4.688 -6.663 1.00 15.00 C ATOM 473 CG TRP A 505 2.299 4.935 -6.485 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.279 4.623 -7.385 1.00 15.00 C ATOM 475 CD2 TRP A 505 2.963 5.554 -5.368 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.503 5.013 -6.909 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.338 5.589 -5.683 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.550 6.091 -4.134 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.283 6.135 -4.828 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.494 6.625 -3.302 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.843 6.648 -3.648 1.00 15.00 C ATOM 0 H TRP A 505 1.802 2.235 -6.658 1.00 15.00 H new ATOM 0 HA TRP A 505 0.017 3.798 -4.903 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.626 4.560 -7.726 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.287 5.575 -6.338 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.112 4.138 -8.336 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.393 4.892 -7.392 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.508 6.081 -3.850 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.331 6.152 -5.090 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.186 7.039 -2.353 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.556 7.083 -2.963 1.00 15.00 H new ATOM 492 N GLU A 506 -0.826 1.678 -7.067 1.00 15.00 N ATOM 493 CA GLU A 506 -1.865 1.019 -7.843 1.00 15.00 C ATOM 494 C GLU A 506 -2.859 0.336 -6.919 1.00 15.00 C ATOM 495 O GLU A 506 -2.500 -0.096 -5.828 1.00 15.00 O ATOM 496 CB GLU A 506 -1.249 -0.001 -8.801 1.00 15.00 C ATOM 497 CG GLU A 506 -0.169 0.593 -9.687 1.00 15.00 C ATOM 498 CD GLU A 506 0.135 -0.266 -10.893 1.00 15.00 C ATOM 499 OE1 GLU A 506 0.687 -1.375 -10.724 1.00 15.00 O ATOM 500 OE2 GLU A 506 -0.170 0.172 -12.020 1.00 15.00 O ATOM 0 H GLU A 506 -0.017 1.089 -6.873 1.00 15.00 H new ATOM 0 HA GLU A 506 -2.391 1.773 -8.428 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.826 -0.823 -8.224 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -2.035 -0.422 -9.428 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -0.482 1.582 -10.021 1.00 15.00 H new ATOM 0 HG3 GLU A 506 0.741 0.727 -9.103 1.00 15.00 H new ATOM 507 N ASP A 507 -4.102 0.236 -7.369 1.00 15.00 N ATOM 508 CA ASP A 507 -5.180 -0.313 -6.552 1.00 15.00 C ATOM 509 C ASP A 507 -4.881 -1.755 -6.127 1.00 15.00 C ATOM 510 O ASP A 507 -4.885 -2.663 -6.934 1.00 15.00 O ATOM 511 CB ASP A 507 -6.500 -0.259 -7.321 1.00 15.00 C ATOM 512 CG ASP A 507 -7.695 -0.655 -6.476 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.760 -1.817 -6.038 1.00 15.00 O ATOM 514 OD2 ASP A 507 -8.579 0.199 -6.255 1.00 15.00 O ATOM 0 H ASP A 507 -4.392 0.530 -8.302 1.00 15.00 H new ATOM 0 HA ASP A 507 -5.260 0.295 -5.651 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.651 0.751 -7.703 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.438 -0.920 -8.185 1.00 15.00 H new ATOM 519 N PRO A 508 -4.644 -1.953 -4.829 1.00 15.00 N ATOM 520 CA PRO A 508 -4.261 -3.231 -4.206 1.00 15.00 C ATOM 521 C PRO A 508 -5.426 -4.120 -3.988 1.00 15.00 C ATOM 522 O PRO A 508 -5.296 -5.261 -3.580 1.00 15.00 O ATOM 523 CB PRO A 508 -3.644 -2.830 -2.876 1.00 15.00 C ATOM 524 CG PRO A 508 -3.785 -1.350 -2.784 1.00 15.00 C ATOM 525 CD PRO A 508 -4.774 -0.919 -3.815 1.00 15.00 C ATOM 0 HA PRO A 508 -3.580 -3.796 -4.843 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.152 -3.322 -2.047 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.596 -3.125 -2.828 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -4.121 -1.060 -1.788 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -2.824 -0.864 -2.951 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.786 -0.871 -3.412 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.542 0.069 -4.212 1.00 15.00 H new ATOM 533 N ARG A 509 -6.570 -3.567 -4.199 1.00 15.00 N ATOM 534 CA ARG A 509 -7.775 -4.239 -3.946 1.00 15.00 C ATOM 535 C ARG A 509 -7.961 -5.115 -5.150 1.00 15.00 C ATOM 536 O ARG A 509 -8.856 -5.950 -5.231 1.00 15.00 O ATOM 537 CB ARG A 509 -8.863 -3.217 -3.660 1.00 15.00 C ATOM 538 CG ARG A 509 -8.309 -2.104 -2.770 1.00 15.00 C ATOM 539 CD ARG A 509 -9.375 -1.125 -2.311 1.00 15.00 C ATOM 540 NE ARG A 509 -10.010 -0.421 -3.427 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.932 0.530 -3.270 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.367 0.841 -2.057 1.00 15.00 N ATOM 543 NH2 ARG A 509 -11.434 1.154 -4.326 1.00 15.00 N ATOM 0 H ARG A 509 -6.685 -2.619 -4.558 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.796 -4.873 -3.059 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.234 -2.797 -4.595 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.708 -3.700 -3.170 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.832 -2.548 -1.897 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.536 -1.562 -3.315 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.136 -1.661 -1.744 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.928 -0.397 -1.634 1.00 15.00 H new ATOM 0 HE ARG A 509 -9.732 -0.671 -4.376 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -10.997 0.353 -1.242 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.072 1.569 -1.939 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -11.115 0.908 -5.263 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -12.139 1.881 -4.202 1.00 15.00 H new ATOM 557 N LEU A 510 -7.081 -4.856 -6.129 1.00 15.00 N ATOM 558 CA LEU A 510 -6.985 -5.707 -7.270 1.00 15.00 C ATOM 559 C LEU A 510 -6.540 -7.111 -6.820 1.00 15.00 C ATOM 560 O LEU A 510 -6.810 -8.123 -7.468 1.00 15.00 O ATOM 561 CB LEU A 510 -6.018 -5.161 -8.354 1.00 15.00 C ATOM 562 CG LEU A 510 -4.500 -5.363 -8.111 1.00 15.00 C ATOM 563 CD1 LEU A 510 -4.042 -6.767 -8.484 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.686 -4.347 -8.897 1.00 15.00 C ATOM 0 H LEU A 510 -6.440 -4.063 -6.132 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.972 -5.750 -7.730 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.274 -5.631 -9.304 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.204 -4.093 -8.466 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.334 -5.220 -7.043 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -2.972 -6.862 -8.297 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.582 -7.498 -7.882 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.243 -6.947 -9.540 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.624 -4.509 -8.710 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.889 -4.463 -9.962 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -3.960 -3.340 -8.583 1.00 15.00 H new ATOM 576 N LYS A 511 -5.827 -7.111 -5.695 1.00 15.00 N ATOM 577 CA LYS A 511 -5.159 -8.275 -5.104 1.00 15.00 C ATOM 578 C LYS A 511 -6.147 -9.337 -4.626 1.00 15.00 C ATOM 579 O LYS A 511 -5.749 -10.438 -4.244 1.00 15.00 O ATOM 580 CB LYS A 511 -4.290 -7.801 -3.937 1.00 15.00 C ATOM 581 CG LYS A 511 -3.512 -8.878 -3.216 1.00 15.00 C ATOM 582 CD LYS A 511 -3.638 -8.708 -1.713 1.00 15.00 C ATOM 583 CE LYS A 511 -2.501 -9.408 -0.982 1.00 15.00 C ATOM 584 NZ LYS A 511 -1.163 -8.849 -1.326 1.00 15.00 N ATOM 0 H LYS A 511 -5.692 -6.263 -5.144 1.00 15.00 H new ATOM 0 HA LYS A 511 -4.546 -8.743 -5.875 1.00 15.00 H new ATOM 0 HB2 LYS A 511 -3.585 -7.059 -4.312 1.00 15.00 H new ATOM 0 HB3 LYS A 511 -4.930 -7.296 -3.214 1.00 15.00 H new ATOM 0 HG2 LYS A 511 -3.882 -9.860 -3.509 1.00 15.00 H new ATOM 0 HG3 LYS A 511 -2.462 -8.833 -3.506 1.00 15.00 H new ATOM 0 HD2 LYS A 511 -3.636 -7.647 -1.463 1.00 15.00 H new ATOM 0 HD3 LYS A 511 -4.593 -9.112 -1.378 1.00 15.00 H new ATOM 0 HE2 LYS A 511 -2.660 -9.323 0.093 1.00 15.00 H new ATOM 0 HE3 LYS A 511 -2.519 -10.471 -1.224 1.00 15.00 H new ATOM 0 HZ1 LYS A 511 -0.639 -9.535 -1.906 1.00 15.00 H new ATOM 0 HZ2 LYS A 511 -1.283 -7.965 -1.860 1.00 15.00 H new ATOM 0 HZ3 LYS A 511 -0.632 -8.657 -0.453 1.00 15.00 H new ATOM 598 N PHE A 512 -7.439 -9.002 -4.627 1.00 15.00 N ATOM 599 CA PHE A 512 -8.465 -9.789 -3.916 1.00 15.00 C ATOM 600 C PHE A 512 -8.735 -11.288 -4.238 1.00 15.00 C ATOM 601 O PHE A 512 -9.405 -11.972 -3.461 1.00 15.00 O ATOM 602 CB PHE A 512 -9.768 -9.010 -3.833 1.00 15.00 C ATOM 603 CG PHE A 512 -9.784 -7.980 -2.745 1.00 15.00 C ATOM 604 CD1 PHE A 512 -8.772 -7.025 -2.621 1.00 15.00 C ATOM 605 CD2 PHE A 512 -10.829 -7.963 -1.835 1.00 15.00 C ATOM 606 CE1 PHE A 512 -8.825 -6.095 -1.617 1.00 15.00 C ATOM 607 CE2 PHE A 512 -10.875 -7.026 -0.826 1.00 15.00 C ATOM 608 CZ PHE A 512 -9.873 -6.089 -0.717 1.00 15.00 C ATOM 0 H PHE A 512 -7.808 -8.185 -5.115 1.00 15.00 H new ATOM 0 HA PHE A 512 -7.959 -9.914 -2.959 1.00 15.00 H new ATOM 0 HB2 PHE A 512 -9.949 -8.519 -4.789 1.00 15.00 H new ATOM 0 HB3 PHE A 512 -10.589 -9.708 -3.673 1.00 15.00 H new ATOM 0 HD1 PHE A 512 -7.947 -7.020 -3.318 1.00 15.00 H new ATOM 0 HD2 PHE A 512 -11.619 -8.695 -1.918 1.00 15.00 H new ATOM 0 HE1 PHE A 512 -8.040 -5.359 -1.528 1.00 15.00 H new ATOM 0 HE2 PHE A 512 -11.695 -7.027 -0.123 1.00 15.00 H new ATOM 0 HZ PHE A 512 -9.906 -5.351 0.070 1.00 15.00 H new ATOM 618 N PRO A 513 -8.234 -11.805 -5.322 1.00 15.00 N ATOM 619 CA PRO A 513 -8.197 -13.232 -5.626 1.00 15.00 C ATOM 620 C PRO A 513 -7.369 -13.999 -4.587 1.00 15.00 C ATOM 621 O PRO A 513 -7.353 -15.227 -4.571 1.00 15.00 O ATOM 622 CB PRO A 513 -7.544 -13.285 -7.015 1.00 15.00 C ATOM 623 CG PRO A 513 -7.664 -11.891 -7.544 1.00 15.00 C ATOM 624 CD PRO A 513 -7.687 -11.006 -6.331 1.00 15.00 C ATOM 0 HA PRO A 513 -9.183 -13.697 -5.606 1.00 15.00 H new ATOM 0 HB2 PRO A 513 -6.501 -13.596 -6.951 1.00 15.00 H new ATOM 0 HB3 PRO A 513 -8.050 -14.000 -7.664 1.00 15.00 H new ATOM 0 HG2 PRO A 513 -6.825 -11.644 -8.195 1.00 15.00 H new ATOM 0 HG3 PRO A 513 -8.572 -11.772 -8.135 1.00 15.00 H new ATOM 0 HD2 PRO A 513 -6.685 -10.667 -6.069 1.00 15.00 H new ATOM 0 HD3 PRO A 513 -8.291 -10.115 -6.502 1.00 15.00 H new ATOM 632 N VAL A 514 -6.668 -13.247 -3.730 1.00 15.00 N ATOM 633 CA VAL A 514 -5.880 -13.814 -2.633 1.00 15.00 C ATOM 634 C VAL A 514 -6.766 -14.320 -1.517 1.00 15.00 C ATOM 635 O VAL A 514 -6.317 -14.984 -0.580 1.00 15.00 O ATOM 636 CB VAL A 514 -4.819 -12.830 -2.095 1.00 15.00 C ATOM 637 CG1 VAL A 514 -5.466 -11.652 -1.368 1.00 15.00 C ATOM 638 CG2 VAL A 514 -3.812 -13.539 -1.199 1.00 15.00 C ATOM 0 H VAL A 514 -6.632 -12.229 -3.779 1.00 15.00 H new ATOM 0 HA VAL A 514 -5.341 -14.665 -3.050 1.00 15.00 H new ATOM 0 HB VAL A 514 -4.279 -12.431 -2.954 1.00 15.00 H new ATOM 0 HG11 VAL A 514 -4.690 -10.979 -1.002 1.00 15.00 H new ATOM 0 HG12 VAL A 514 -6.118 -11.114 -2.056 1.00 15.00 H new ATOM 0 HG13 VAL A 514 -6.052 -12.021 -0.526 1.00 15.00 H new ATOM 0 HG21 VAL A 514 -3.078 -12.819 -0.836 1.00 15.00 H new ATOM 0 HG22 VAL A 514 -4.331 -13.987 -0.352 1.00 15.00 H new ATOM 0 HG23 VAL A 514 -3.305 -14.319 -1.767 1.00 15.00 H new ATOM 648 N HIS A 515 -8.024 -13.982 -1.661 1.00 15.00 N ATOM 649 CA HIS A 515 -9.115 -14.424 -0.774 1.00 15.00 C ATOM 650 C HIS A 515 -8.723 -14.348 0.701 1.00 15.00 C ATOM 651 O HIS A 515 -8.734 -13.234 1.256 1.00 15.00 O ATOM 652 CB HIS A 515 -9.600 -15.851 -1.154 1.00 15.00 C ATOM 653 CG HIS A 515 -8.494 -16.849 -1.354 1.00 15.00 C ATOM 654 ND1 HIS A 515 -7.691 -16.842 -2.473 1.00 15.00 N ATOM 655 CD2 HIS A 515 -7.993 -17.808 -0.542 1.00 15.00 C ATOM 656 CE1 HIS A 515 -6.735 -17.732 -2.338 1.00 15.00 C ATOM 657 NE2 HIS A 515 -6.898 -18.341 -1.177 1.00 15.00 N ATOM 658 OXT HIS A 515 -8.413 -15.398 1.306 1.00 15.00 O ATOM 0 H HIS A 515 -8.344 -13.375 -2.415 1.00 15.00 H new ATOM 0 HA HIS A 515 -9.946 -13.734 -0.918 1.00 15.00 H new ATOM 0 HB2 HIS A 515 -10.265 -16.216 -0.372 1.00 15.00 H new ATOM 0 HB3 HIS A 515 -10.188 -15.790 -2.070 1.00 15.00 H new ATOM 0 HD1 HIS A 515 -7.820 -16.237 -3.284 1.00 15.00 H new ATOM 0 HD2 HIS A 515 -8.381 -18.099 0.423 1.00 15.00 H new ATOM 0 HE1 HIS A 515 -5.951 -17.932 -3.053 1.00 15.00 H new TER 667 HIS A 515 ATOM 668 N ALA B 202 7.299 -3.907 13.416 1.00 15.00 N ATOM 669 CA ALA B 202 6.658 -3.603 12.119 1.00 15.00 C ATOM 670 C ALA B 202 6.963 -2.174 11.699 1.00 15.00 C ATOM 671 O ALA B 202 7.082 -1.283 12.543 1.00 15.00 O ATOM 672 CB ALA B 202 5.152 -3.813 12.209 1.00 15.00 C ATOM 0 HA ALA B 202 7.061 -4.282 11.368 1.00 15.00 H new ATOM 0 HB1 ALA B 202 4.695 -3.585 11.246 1.00 15.00 H new ATOM 0 HB2 ALA B 202 4.944 -4.850 12.473 1.00 15.00 H new ATOM 0 HB3 ALA B 202 4.738 -3.154 12.972 1.00 15.00 H new ATOM 680 N GLY B 203 7.084 -1.957 10.399 1.00 15.00 N ATOM 681 CA GLY B 203 7.350 -0.628 9.895 1.00 15.00 C ATOM 682 C GLY B 203 6.209 -0.120 9.042 1.00 15.00 C ATOM 683 O GLY B 203 5.471 -0.912 8.453 1.00 15.00 O ATOM 0 H GLY B 203 7.003 -2.679 9.683 1.00 15.00 H new ATOM 0 HA2 GLY B 203 7.513 0.053 10.730 1.00 15.00 H new ATOM 0 HA3 GLY B 203 8.268 -0.637 9.308 1.00 15.00 H new HETATM 687 N SEP B 204 6.044 1.189 8.985 1.00 15.00 N HETATM 688 CA SEP B 204 4.995 1.784 8.177 1.00 15.00 C HETATM 689 CB SEP B 204 4.331 2.930 8.939 1.00 15.00 C HETATM 690 OG SEP B 204 5.245 3.553 9.825 1.00 15.00 O HETATM 691 C SEP B 204 5.542 2.263 6.837 1.00 15.00 C HETATM 692 O SEP B 204 6.672 2.749 6.744 1.00 15.00 O HETATM 693 P SEP B 204 5.605 5.135 9.786 1.00 15.00 P HETATM 694 O1P SEP B 204 7.061 5.286 9.895 1.00 15.00 O HETATM 695 O2P SEP B 204 5.124 5.700 8.522 1.00 15.00 O HETATM 696 O3P SEP B 204 4.941 5.788 10.915 1.00 15.00 O HETATM 0 HB3 SEP B 204 3.946 3.666 8.232 1.00 15.00 H new HETATM 0 HB2 SEP B 204 3.477 2.551 9.500 1.00 15.00 H new HETATM 0 HA SEP B 204 4.242 1.023 7.972 1.00 15.00 H new HETATM 0 H SEP B 204 6.237 1.553 9.918 1.00 15.00 H new ATOM 701 N PRO B 205 4.724 2.121 5.790 1.00 15.00 N ATOM 702 CA PRO B 205 5.073 2.538 4.431 1.00 15.00 C ATOM 703 C PRO B 205 5.389 4.031 4.313 1.00 15.00 C ATOM 704 O PRO B 205 4.492 4.866 4.332 1.00 15.00 O ATOM 705 CB PRO B 205 3.807 2.246 3.608 1.00 15.00 C ATOM 706 CG PRO B 205 2.793 1.644 4.528 1.00 15.00 C ATOM 707 CD PRO B 205 3.430 1.436 5.864 1.00 15.00 C ATOM 0 HA PRO B 205 5.969 2.013 4.100 1.00 15.00 H new ATOM 0 HB2 PRO B 205 3.421 3.163 3.162 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.033 1.563 2.789 1.00 15.00 H new ATOM 0 HG2 PRO B 205 1.927 2.300 4.619 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.434 0.696 4.128 1.00 15.00 H new ATOM 0 HD2 PRO B 205 2.812 1.848 6.662 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.559 0.375 6.077 1.00 15.00 H new ATOM 715 N ASN B 206 6.678 4.363 4.279 1.00 15.00 N ATOM 716 CA ASN B 206 7.114 5.722 3.957 1.00 15.00 C ATOM 717 C ASN B 206 8.016 5.754 2.718 1.00 15.00 C ATOM 718 O ASN B 206 8.254 6.811 2.133 1.00 15.00 O ATOM 719 CB ASN B 206 7.757 6.384 5.182 1.00 15.00 C ATOM 720 CG ASN B 206 8.836 7.407 4.868 1.00 15.00 C ATOM 721 OD1 ASN B 206 8.548 8.585 4.659 1.00 15.00 O ATOM 722 ND2 ASN B 206 10.087 6.977 4.872 1.00 15.00 N ATOM 0 H ASN B 206 7.439 3.711 4.470 1.00 15.00 H new ATOM 0 HA ASN B 206 6.235 6.312 3.696 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.975 6.870 5.765 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.188 5.606 5.812 1.00 15.00 H new ATOM 0 HD21 ASN B 206 10.851 7.630 4.698 1.00 15.00 H new ATOM 0 HD22 ASN B 206 10.287 5.993 5.049 1.00 15.00 H new ATOM 729 N LEU B 207 8.515 4.590 2.317 1.00 15.00 N ATOM 730 CA LEU B 207 9.398 4.502 1.158 1.00 15.00 C ATOM 731 C LEU B 207 8.599 4.522 -0.146 1.00 15.00 C ATOM 732 O LEU B 207 7.844 3.596 -0.449 1.00 15.00 O ATOM 733 CB LEU B 207 10.288 3.243 1.224 1.00 15.00 C ATOM 734 CG LEU B 207 9.571 1.883 1.193 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.550 0.783 0.817 1.00 15.00 C ATOM 736 CD2 LEU B 207 8.935 1.564 2.540 1.00 15.00 C ATOM 0 H LEU B 207 8.325 3.698 2.774 1.00 15.00 H new ATOM 0 HA LEU B 207 10.047 5.377 1.177 1.00 15.00 H new ATOM 0 HB2 LEU B 207 10.987 3.277 0.388 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.880 3.294 2.138 1.00 15.00 H new ATOM 0 HG LEU B 207 8.781 1.939 0.444 1.00 15.00 H new ATOM 0 HD11 LEU B 207 10.031 -0.175 0.798 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.968 0.989 -0.169 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.355 0.745 1.551 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.436 0.597 2.487 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.707 1.532 3.309 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.206 2.335 2.790 1.00 15.00 H new HETATM 748 N SEP B 208 8.749 5.602 -0.899 1.00 15.00 N HETATM 749 CA SEP B 208 8.094 5.736 -2.192 1.00 15.00 C HETATM 750 CB SEP B 208 8.110 7.203 -2.631 1.00 15.00 C HETATM 751 OG SEP B 208 7.676 8.060 -1.602 1.00 15.00 O HETATM 752 C SEP B 208 8.805 4.896 -3.252 1.00 15.00 C HETATM 753 O SEP B 208 10.012 5.048 -3.453 1.00 15.00 O HETATM 754 P SEP B 208 8.610 9.219 -0.979 1.00 15.00 P HETATM 755 O1P SEP B 208 7.821 10.003 -0.025 1.00 15.00 O HETATM 756 O2P SEP B 208 9.077 10.065 -2.085 1.00 15.00 O HETATM 757 O3P SEP B 208 9.752 8.591 -0.325 1.00 15.00 O HETATM 0 HB3 SEP B 208 9.119 7.481 -2.934 1.00 15.00 H new HETATM 0 HB2 SEP B 208 7.469 7.329 -3.504 1.00 15.00 H new HETATM 0 HA SEP B 208 7.067 5.385 -2.090 1.00 15.00 H new HETATM 0 H SEP B 208 9.131 6.425 -0.433 1.00 15.00 H new ATOM 762 N PRO B 209 8.086 3.997 -3.950 1.00 15.00 N ATOM 763 CA PRO B 209 8.642 3.339 -5.119 1.00 15.00 C ATOM 764 C PRO B 209 8.722 4.305 -6.292 1.00 15.00 C ATOM 765 O PRO B 209 7.697 4.763 -6.806 1.00 15.00 O ATOM 766 CB PRO B 209 7.671 2.201 -5.441 1.00 15.00 C ATOM 767 CG PRO B 209 6.507 2.340 -4.519 1.00 15.00 C ATOM 768 CD PRO B 209 6.707 3.566 -3.666 1.00 15.00 C ATOM 0 HA PRO B 209 9.654 2.978 -4.934 1.00 15.00 H new ATOM 0 HB2 PRO B 209 7.347 2.254 -6.480 1.00 15.00 H new ATOM 0 HB3 PRO B 209 8.154 1.233 -5.307 1.00 15.00 H new ATOM 0 HG2 PRO B 209 5.582 2.424 -5.089 1.00 15.00 H new ATOM 0 HG3 PRO B 209 6.415 1.454 -3.891 1.00 15.00 H new ATOM 0 HD2 PRO B 209 5.988 4.346 -3.918 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.573 3.339 -2.608 1.00 15.00 H new ATOM 776 N ASN B 210 9.936 4.649 -6.687 1.00 15.00 N ATOM 777 CA ASN B 210 10.134 5.584 -7.782 1.00 15.00 C ATOM 778 C ASN B 210 10.295 4.829 -9.093 1.00 15.00 C ATOM 779 O ASN B 210 11.253 4.075 -9.275 1.00 15.00 O ATOM 780 CB ASN B 210 11.345 6.488 -7.524 1.00 15.00 C ATOM 781 CG ASN B 210 11.090 7.496 -6.415 1.00 15.00 C ATOM 782 OD1 ASN B 210 10.579 8.591 -6.659 1.00 15.00 O ATOM 783 ND2 ASN B 210 11.449 7.142 -5.190 1.00 15.00 N ATOM 0 H ASN B 210 10.797 4.297 -6.268 1.00 15.00 H new ATOM 0 HA ASN B 210 9.253 6.222 -7.852 1.00 15.00 H new ATOM 0 HB2 ASN B 210 12.205 5.872 -7.261 1.00 15.00 H new ATOM 0 HB3 ASN B 210 11.601 7.018 -8.441 1.00 15.00 H new ATOM 0 HD21 ASN B 210 11.305 7.784 -4.411 1.00 15.00 H new ATOM 0 HD22 ASN B 210 11.869 6.227 -5.026 1.00 15.00 H new ATOM 790 N PRO B 211 9.339 5.003 -10.012 1.00 15.00 N ATOM 791 CA PRO B 211 9.329 4.309 -11.288 1.00 15.00 C ATOM 792 C PRO B 211 10.157 5.037 -12.340 1.00 15.00 C ATOM 793 O PRO B 211 11.392 4.860 -12.355 1.00 15.00 O ATOM 794 CB PRO B 211 7.841 4.303 -11.682 1.00 15.00 C ATOM 795 CG PRO B 211 7.131 5.183 -10.689 1.00 15.00 C ATOM 796 CD PRO B 211 8.188 5.897 -9.891 1.00 15.00 C ATOM 797 OXT PRO B 211 9.573 5.785 -13.149 1.00 15.00 O ATOM 0 HA PRO B 211 9.765 3.313 -11.217 1.00 15.00 H new ATOM 0 HB2 PRO B 211 7.707 4.677 -12.697 1.00 15.00 H new ATOM 0 HB3 PRO B 211 7.438 3.290 -11.660 1.00 15.00 H new ATOM 0 HG2 PRO B 211 6.487 5.898 -11.201 1.00 15.00 H new ATOM 0 HG3 PRO B 211 6.492 4.588 -10.036 1.00 15.00 H new ATOM 0 HD2 PRO B 211 8.400 6.887 -10.294 1.00 15.00 H new ATOM 0 HD3 PRO B 211 7.888 6.033 -8.852 1.00 15.00 H new TER 805 PRO B 211