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 476 GLN :FLIP amide:sc= -0.142 F(o=-1.2!,f=-0.14) USER MOD Set 1.2: A 477 SER OG : rot 180:sc= 0.00727 USER MOD Single : A 485 MET CE :methyl -149:sc= -0.988 (180deg=-2.12!) USER MOD Single : A 490 ASN : amide:sc= -8.06! C(o=-8.1!,f=-22!) USER MOD Single : A 496 TYR OH : rot 30:sc= 0 USER MOD Single : A 498 HIS : no HD1:sc= -5.44! C(o=-5.4!,f=-9.7!) USER MOD Single : A 499 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.024) USER MOD Single : A 500 THR OG1 : rot 66:sc= 1.02 USER MOD Single : A 501 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.14) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 180:sc= -1.35! USER MOD Single : A 504 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 511 LYS NZ :NH3+ -174:sc= 0.633 (180deg=0.596) USER MOD Single : A 515 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : B 206 ASN :FLIP amide:sc= -0.113 F(o=-0.87,f=-0.11) USER MOD Single : B 210 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 476 -7.875 -3.346 5.575 1.00 15.00 N ATOM 2 CA GLN A 476 -8.264 -1.922 5.666 1.00 15.00 C ATOM 3 C GLN A 476 -9.683 -1.747 5.139 1.00 15.00 C ATOM 4 O GLN A 476 -10.303 -2.701 4.675 1.00 15.00 O ATOM 5 CB GLN A 476 -7.272 -1.051 4.882 1.00 15.00 C ATOM 6 CG GLN A 476 -7.413 0.451 5.113 1.00 15.00 C ATOM 7 CD GLN A 476 -7.241 0.850 6.569 1.00 15.00 C ATOM 8 OE1 GLN A 476 -8.342 0.958 7.302 1.00 15.00 O flip ATOM 9 NE2 GLN A 476 -6.130 1.091 7.026 1.00 15.00 N flip ATOM 0 HA GLN A 476 -8.239 -1.603 6.708 1.00 15.00 H new ATOM 0 HB2 GLN A 476 -6.258 -1.351 5.148 1.00 15.00 H new ATOM 0 HB3 GLN A 476 -7.395 -1.253 3.818 1.00 15.00 H new ATOM 0 HG2 GLN A 476 -6.673 0.976 4.509 1.00 15.00 H new ATOM 0 HG3 GLN A 476 -8.395 0.775 4.767 1.00 15.00 H new ATOM 0 HE21 GLN A 476 -5.304 0.998 6.435 1.00 15.00 H new ATOM 0 HE22 GLN A 476 -6.031 1.385 7.998 1.00 15.00 H new ATOM 18 N SER A 477 -10.177 -0.527 5.200 1.00 15.00 N ATOM 19 CA SER A 477 -11.558 -0.234 4.861 1.00 15.00 C ATOM 20 C SER A 477 -11.771 -0.205 3.351 1.00 15.00 C ATOM 21 O SER A 477 -12.833 -0.575 2.857 1.00 15.00 O ATOM 22 CB SER A 477 -11.944 1.110 5.474 1.00 15.00 C ATOM 23 OG SER A 477 -11.294 1.283 6.723 1.00 15.00 O ATOM 0 H SER A 477 -9.635 0.289 5.485 1.00 15.00 H new ATOM 0 HA SER A 477 -12.191 -1.025 5.263 1.00 15.00 H new ATOM 0 HB2 SER A 477 -11.669 1.919 4.797 1.00 15.00 H new ATOM 0 HB3 SER A 477 -13.025 1.160 5.608 1.00 15.00 H new ATOM 0 HG SER A 477 -11.547 2.149 7.106 1.00 15.00 H new ATOM 29 N PHE A 478 -10.759 0.258 2.624 1.00 15.00 N ATOM 30 CA PHE A 478 -10.880 0.433 1.173 1.00 15.00 C ATOM 31 C PHE A 478 -10.437 -0.918 0.673 1.00 15.00 C ATOM 32 O PHE A 478 -10.888 -1.470 -0.326 1.00 15.00 O ATOM 33 CB PHE A 478 -9.739 1.223 0.528 1.00 15.00 C ATOM 34 CG PHE A 478 -9.057 2.173 1.420 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.700 2.890 2.406 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.673 2.168 1.378 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.951 3.602 3.314 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.953 2.824 2.284 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.570 3.537 3.242 1.00 15.00 C ATOM 0 H PHE A 478 -9.851 0.518 3.008 1.00 15.00 H new ATOM 0 HA PHE A 478 -11.858 0.868 0.967 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.003 0.518 0.142 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.135 1.771 -0.327 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.778 2.893 2.465 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.169 1.621 0.595 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.433 4.202 4.071 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.874 2.784 2.250 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.976 4.070 3.970 1.00 15.00 H new ATOM 49 N LEU A 479 -9.490 -1.396 1.486 1.00 15.00 N ATOM 50 CA LEU A 479 -8.230 -1.923 1.021 1.00 15.00 C ATOM 51 C LEU A 479 -7.949 -3.299 1.654 1.00 15.00 C ATOM 52 O LEU A 479 -8.269 -3.520 2.822 1.00 15.00 O ATOM 53 CB LEU A 479 -7.167 -0.801 1.344 1.00 15.00 C ATOM 54 CG LEU A 479 -5.743 -0.997 0.824 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.607 -0.329 -0.519 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.706 -0.399 1.754 1.00 15.00 C ATOM 0 H LEU A 479 -9.592 -1.422 2.501 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.210 -2.131 -0.049 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.543 0.141 0.945 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -7.116 -0.690 2.427 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.568 -2.071 0.755 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.592 -0.467 -0.893 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.315 -0.772 -1.219 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -5.815 0.736 -0.418 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.710 -0.563 1.342 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.884 0.671 1.857 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.777 -0.875 2.732 1.00 15.00 H new ATOM 68 N PRO A 480 -7.323 -4.219 0.884 1.00 15.00 N ATOM 69 CA PRO A 480 -7.232 -5.664 1.226 1.00 15.00 C ATOM 70 C PRO A 480 -6.500 -5.941 2.567 1.00 15.00 C ATOM 71 O PRO A 480 -6.004 -5.020 3.216 1.00 15.00 O ATOM 72 CB PRO A 480 -6.430 -6.261 0.050 1.00 15.00 C ATOM 73 CG PRO A 480 -6.339 -5.217 -1.008 1.00 15.00 C ATOM 74 CD PRO A 480 -6.612 -3.894 -0.367 1.00 15.00 C ATOM 0 HA PRO A 480 -8.223 -6.097 1.363 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.435 -6.561 0.378 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.922 -7.154 -0.335 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.350 -5.223 -1.467 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.060 -5.413 -1.802 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.687 -3.353 -0.167 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.219 -3.259 -1.013 1.00 15.00 H new ATOM 82 N PRO A 481 -6.403 -7.228 2.989 1.00 15.00 N ATOM 83 CA PRO A 481 -5.728 -7.630 4.243 1.00 15.00 C ATOM 84 C PRO A 481 -4.193 -7.718 4.129 1.00 15.00 C ATOM 85 O PRO A 481 -3.545 -8.434 4.893 1.00 15.00 O ATOM 86 CB PRO A 481 -6.307 -9.030 4.528 1.00 15.00 C ATOM 87 CG PRO A 481 -7.338 -9.281 3.473 1.00 15.00 C ATOM 88 CD PRO A 481 -6.983 -8.396 2.320 1.00 15.00 C ATOM 0 HA PRO A 481 -5.902 -6.892 5.026 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.525 -9.788 4.495 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.750 -9.072 5.523 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.340 -10.329 3.173 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.337 -9.054 3.844 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.272 -8.873 1.645 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.858 -8.132 1.726 1.00 15.00 H new ATOM 96 N GLY A 482 -3.623 -6.953 3.210 1.00 15.00 N ATOM 97 CA GLY A 482 -2.177 -6.916 3.024 1.00 15.00 C ATOM 98 C GLY A 482 -1.651 -5.572 3.371 1.00 15.00 C ATOM 99 O GLY A 482 -0.470 -5.322 3.277 1.00 15.00 O ATOM 0 H GLY A 482 -4.142 -6.345 2.577 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.703 -7.673 3.649 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.930 -7.156 1.990 1.00 15.00 H new ATOM 103 N TRP A 483 -2.537 -4.697 3.766 1.00 15.00 N ATOM 104 CA TRP A 483 -2.383 -3.346 3.327 1.00 15.00 C ATOM 105 C TRP A 483 -2.283 -2.296 4.390 1.00 15.00 C ATOM 106 O TRP A 483 -3.128 -2.137 5.271 1.00 15.00 O ATOM 107 CB TRP A 483 -3.478 -3.081 2.333 1.00 15.00 C ATOM 108 CG TRP A 483 -3.317 -4.026 1.207 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.963 -5.185 0.993 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.352 -3.949 0.199 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.451 -5.822 -0.089 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.493 -5.084 -0.587 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.396 -3.041 -0.131 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.742 -5.350 -1.650 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.622 -3.305 -1.216 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.792 -4.451 -1.972 1.00 15.00 C ATOM 0 H TRP A 483 -3.340 -4.887 4.366 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.397 -3.259 2.871 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.455 -3.209 2.800 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.427 -2.052 1.976 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.776 -5.557 1.598 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.760 -6.723 -0.453 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.256 -2.141 0.449 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.887 -6.249 -2.231 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.147 -2.601 -1.496 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.157 -4.626 -2.828 1.00 15.00 H new ATOM 127 N GLU A 484 -1.197 -1.581 4.241 1.00 15.00 N ATOM 128 CA GLU A 484 -0.890 -0.411 5.009 1.00 15.00 C ATOM 129 C GLU A 484 -1.208 0.800 4.154 1.00 15.00 C ATOM 130 O GLU A 484 -0.526 1.044 3.158 1.00 15.00 O ATOM 131 CB GLU A 484 0.604 -0.407 5.360 1.00 15.00 C ATOM 132 CG GLU A 484 0.941 0.064 6.757 1.00 15.00 C ATOM 133 CD GLU A 484 -0.079 -0.354 7.789 1.00 15.00 C ATOM 134 OE1 GLU A 484 0.011 -1.499 8.280 1.00 15.00 O ATOM 135 OE2 GLU A 484 -0.973 0.451 8.105 1.00 15.00 O ATOM 0 H GLU A 484 -0.478 -1.810 3.554 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.471 -0.395 5.931 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.993 -1.417 5.232 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.126 0.228 4.645 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.917 -0.330 7.040 1.00 15.00 H new ATOM 0 HG3 GLU A 484 1.023 1.151 6.757 1.00 15.00 H new ATOM 142 N MET A 485 -2.253 1.529 4.495 1.00 15.00 N ATOM 143 CA MET A 485 -2.524 2.769 3.805 1.00 15.00 C ATOM 144 C MET A 485 -1.801 3.881 4.523 1.00 15.00 C ATOM 145 O MET A 485 -2.200 4.299 5.611 1.00 15.00 O ATOM 146 CB MET A 485 -4.016 3.080 3.734 1.00 15.00 C ATOM 147 CG MET A 485 -4.333 4.359 2.955 1.00 15.00 C ATOM 148 SD MET A 485 -4.204 5.867 3.938 1.00 15.00 S ATOM 149 CE MET A 485 -4.615 7.100 2.706 1.00 15.00 C ATOM 0 H MET A 485 -2.916 1.288 5.232 1.00 15.00 H new ATOM 0 HA MET A 485 -2.172 2.675 2.778 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.533 2.241 3.267 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.409 3.173 4.746 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.655 4.432 2.105 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.343 4.286 2.551 1.00 15.00 H new ATOM 0 HE1 MET A 485 -4.085 8.026 2.927 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.321 6.741 1.720 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.689 7.284 2.720 1.00 15.00 H new ATOM 159 N ARG A 486 -0.697 4.302 3.951 1.00 15.00 N ATOM 160 CA ARG A 486 0.083 5.369 4.525 1.00 15.00 C ATOM 161 C ARG A 486 0.176 6.526 3.558 1.00 15.00 C ATOM 162 O ARG A 486 0.768 6.415 2.491 1.00 15.00 O ATOM 163 CB ARG A 486 1.476 4.875 4.918 1.00 15.00 C ATOM 164 CG ARG A 486 1.460 3.893 6.079 1.00 15.00 C ATOM 165 CD ARG A 486 1.004 4.556 7.368 1.00 15.00 C ATOM 166 NE ARG A 486 2.027 5.436 7.929 1.00 15.00 N ATOM 167 CZ ARG A 486 1.801 6.679 8.346 1.00 15.00 C ATOM 168 NH1 ARG A 486 0.604 7.233 8.201 1.00 15.00 N ATOM 169 NH2 ARG A 486 2.781 7.369 8.900 1.00 15.00 N ATOM 0 H ARG A 486 -0.319 3.919 3.085 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.416 5.714 5.430 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.942 4.399 4.055 1.00 15.00 H new ATOM 0 HB3 ARG A 486 2.096 5.731 5.184 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.797 3.061 5.843 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.458 3.476 6.217 1.00 15.00 H new ATOM 0 HD2 ARG A 486 0.098 5.131 7.178 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.747 3.788 8.098 1.00 15.00 H new ATOM 0 HE ARG A 486 2.977 5.073 8.006 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.153 6.705 7.767 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.441 8.187 8.524 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.704 6.949 9.006 1.00 15.00 H new ATOM 0 HH22 ARG A 486 2.615 8.322 9.222 1.00 15.00 H new ATOM 183 N ILE A 487 -0.453 7.614 3.932 1.00 15.00 N ATOM 184 CA ILE A 487 -0.377 8.850 3.184 1.00 15.00 C ATOM 185 C ILE A 487 0.792 9.655 3.701 1.00 15.00 C ATOM 186 O ILE A 487 0.847 10.040 4.870 1.00 15.00 O ATOM 187 CB ILE A 487 -1.701 9.616 3.246 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.527 11.050 2.716 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.282 9.555 4.645 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.787 11.887 2.796 1.00 15.00 C ATOM 0 H ILE A 487 -1.035 7.669 4.768 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.209 8.640 2.128 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.428 9.138 2.589 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.737 11.544 3.282 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.196 11.007 1.678 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.223 10.104 4.672 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.460 8.515 4.920 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.581 10.001 5.350 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.587 12.884 2.405 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.574 11.417 2.206 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.108 11.963 3.835 1.00 15.00 H new ATOM 202 N ALA A 488 1.731 9.884 2.809 1.00 15.00 N ATOM 203 CA ALA A 488 3.011 10.435 3.163 1.00 15.00 C ATOM 204 C ALA A 488 2.935 11.948 3.101 1.00 15.00 C ATOM 205 O ALA A 488 2.126 12.480 2.342 1.00 15.00 O ATOM 206 CB ALA A 488 4.083 9.950 2.216 1.00 15.00 C ATOM 0 H ALA A 488 1.623 9.690 1.813 1.00 15.00 H new ATOM 0 HA ALA A 488 3.266 10.111 4.172 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.043 10.379 2.503 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.144 8.863 2.261 1.00 15.00 H new ATOM 0 HB3 ALA A 488 3.837 10.258 1.200 1.00 15.00 H new ATOM 212 N PRO A 489 3.727 12.663 3.913 1.00 15.00 N ATOM 213 CA PRO A 489 3.706 14.136 3.967 1.00 15.00 C ATOM 214 C PRO A 489 3.914 14.832 2.609 1.00 15.00 C ATOM 215 O PRO A 489 3.819 16.055 2.528 1.00 15.00 O ATOM 216 CB PRO A 489 4.858 14.476 4.915 1.00 15.00 C ATOM 217 CG PRO A 489 5.031 13.260 5.752 1.00 15.00 C ATOM 218 CD PRO A 489 4.706 12.098 4.859 1.00 15.00 C ATOM 0 HA PRO A 489 2.727 14.489 4.291 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.769 14.710 4.363 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.623 15.347 5.526 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.050 13.188 6.131 1.00 15.00 H new ATOM 0 HG3 PRO A 489 4.370 13.284 6.618 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.592 11.724 4.346 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.287 11.263 5.421 1.00 15.00 H new ATOM 226 N ASN A 490 4.183 14.072 1.545 1.00 15.00 N ATOM 227 CA ASN A 490 4.340 14.656 0.218 1.00 15.00 C ATOM 228 C ASN A 490 3.032 14.526 -0.549 1.00 15.00 C ATOM 229 O ASN A 490 2.845 15.138 -1.601 1.00 15.00 O ATOM 230 CB ASN A 490 5.473 13.972 -0.560 1.00 15.00 C ATOM 231 CG ASN A 490 5.431 12.469 -0.402 1.00 15.00 C ATOM 232 OD1 ASN A 490 4.424 11.917 0.030 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.489 11.787 -0.788 1.00 15.00 N ATOM 0 H ASN A 490 4.295 13.059 1.579 1.00 15.00 H new ATOM 0 HA ASN A 490 4.599 15.709 0.332 1.00 15.00 H new ATOM 0 HB2 ASN A 490 5.396 14.229 -1.616 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.434 14.348 -0.209 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.487 10.769 -0.733 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.310 12.277 -1.142 1.00 15.00 H new ATOM 240 N GLY A 491 2.149 13.682 -0.033 1.00 15.00 N ATOM 241 CA GLY A 491 0.896 13.415 -0.702 1.00 15.00 C ATOM 242 C GLY A 491 0.915 12.050 -1.344 1.00 15.00 C ATOM 243 O GLY A 491 0.175 11.782 -2.287 1.00 15.00 O ATOM 0 H GLY A 491 2.282 13.176 0.843 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.076 13.474 0.014 1.00 15.00 H new ATOM 0 HA3 GLY A 491 0.713 14.177 -1.460 1.00 15.00 H new ATOM 247 N ARG A 492 1.786 11.195 -0.831 1.00 15.00 N ATOM 248 CA ARG A 492 1.943 9.850 -1.350 1.00 15.00 C ATOM 249 C ARG A 492 1.323 8.825 -0.421 1.00 15.00 C ATOM 250 O ARG A 492 1.920 8.462 0.582 1.00 15.00 O ATOM 251 CB ARG A 492 3.424 9.513 -1.530 1.00 15.00 C ATOM 252 CG ARG A 492 4.139 10.393 -2.525 1.00 15.00 C ATOM 253 CD ARG A 492 4.989 9.610 -3.504 1.00 15.00 C ATOM 254 NE ARG A 492 6.418 9.739 -3.220 1.00 15.00 N ATOM 255 CZ ARG A 492 7.325 10.082 -4.131 1.00 15.00 C ATOM 256 NH1 ARG A 492 6.975 10.234 -5.405 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.585 10.253 -3.765 1.00 15.00 N ATOM 0 H ARG A 492 2.400 11.415 -0.047 1.00 15.00 H new ATOM 0 HA ARG A 492 1.434 9.815 -2.313 1.00 15.00 H new ATOM 0 HB2 ARG A 492 3.924 9.594 -0.565 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.513 8.475 -1.849 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.404 10.978 -3.078 1.00 15.00 H new ATOM 0 HG3 ARG A 492 4.771 11.100 -1.988 1.00 15.00 H new ATOM 0 HD2 ARG A 492 4.706 8.558 -3.468 1.00 15.00 H new ATOM 0 HD3 ARG A 492 4.788 9.959 -4.517 1.00 15.00 H new ATOM 0 HE ARG A 492 6.738 9.555 -2.269 1.00 15.00 H new ATOM 0 HH11 ARG A 492 6.006 10.088 -5.689 1.00 15.00 H new ATOM 0 HH12 ARG A 492 7.675 10.497 -6.098 1.00 15.00 H new ATOM 0 HH21 ARG A 492 8.855 10.122 -2.790 1.00 15.00 H new ATOM 0 HH22 ARG A 492 9.286 10.516 -4.458 1.00 15.00 H new ATOM 271 N PRO A 493 0.109 8.368 -0.710 1.00 15.00 N ATOM 272 CA PRO A 493 -0.473 7.232 -0.023 1.00 15.00 C ATOM 273 C PRO A 493 -0.108 5.967 -0.722 1.00 15.00 C ATOM 274 O PRO A 493 -0.628 5.634 -1.788 1.00 15.00 O ATOM 275 CB PRO A 493 -1.982 7.515 -0.072 1.00 15.00 C ATOM 276 CG PRO A 493 -2.082 8.874 -0.678 1.00 15.00 C ATOM 277 CD PRO A 493 -0.883 8.992 -1.570 1.00 15.00 C ATOM 0 HA PRO A 493 -0.120 7.107 1.001 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.507 6.772 -0.672 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.424 7.490 0.924 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -3.007 8.987 -1.244 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -2.081 9.649 0.089 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -1.010 8.466 -2.516 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.639 10.027 -1.811 1.00 15.00 H new ATOM 285 N PHE A 494 0.862 5.301 -0.124 1.00 15.00 N ATOM 286 CA PHE A 494 1.454 4.160 -0.715 1.00 15.00 C ATOM 287 C PHE A 494 0.586 3.038 -0.192 1.00 15.00 C ATOM 288 O PHE A 494 0.472 2.886 1.027 1.00 15.00 O ATOM 289 CB PHE A 494 2.844 3.889 -0.140 1.00 15.00 C ATOM 290 CG PHE A 494 3.614 5.077 0.382 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.443 5.431 1.712 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.524 5.792 -0.368 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.139 6.443 2.276 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.247 6.825 0.207 1.00 15.00 C ATOM 295 CZ PHE A 494 5.055 7.142 1.537 1.00 15.00 C ATOM 0 H PHE A 494 1.248 5.552 0.786 1.00 15.00 H new ATOM 0 HA PHE A 494 1.533 4.267 -1.797 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.740 3.170 0.672 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.443 3.411 -0.915 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.734 4.883 2.314 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.674 5.546 -1.409 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.972 6.701 3.311 1.00 15.00 H new ATOM 0 HE2 PHE A 494 5.959 7.381 -0.384 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.625 7.938 1.992 1.00 15.00 H new ATOM 305 N PHE A 495 -0.043 2.278 -1.031 1.00 15.00 N ATOM 306 CA PHE A 495 -0.809 1.173 -0.521 1.00 15.00 C ATOM 307 C PHE A 495 0.145 -0.021 -0.460 1.00 15.00 C ATOM 308 O PHE A 495 0.508 -0.578 -1.493 1.00 15.00 O ATOM 309 CB PHE A 495 -2.005 0.864 -1.424 1.00 15.00 C ATOM 310 CG PHE A 495 -3.001 1.988 -1.529 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.231 2.834 -0.456 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.713 2.193 -2.701 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.147 3.864 -0.550 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.630 3.221 -2.800 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.847 4.059 -1.723 1.00 15.00 C ATOM 0 H PHE A 495 -0.047 2.391 -2.045 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.216 1.406 0.463 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.640 0.621 -2.422 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.513 -0.023 -1.046 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -2.687 2.686 0.465 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -3.549 1.541 -3.546 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -4.315 4.516 0.294 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -5.177 3.370 -3.719 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.563 4.864 -1.799 1.00 15.00 H new ATOM 325 N TYR A 496 0.634 -0.357 0.729 1.00 15.00 N ATOM 326 CA TYR A 496 1.716 -1.337 0.838 1.00 15.00 C ATOM 327 C TYR A 496 1.246 -2.684 1.407 1.00 15.00 C ATOM 328 O TYR A 496 0.615 -2.745 2.461 1.00 15.00 O ATOM 329 CB TYR A 496 2.890 -0.731 1.643 1.00 15.00 C ATOM 330 CG TYR A 496 3.665 -1.718 2.508 1.00 15.00 C ATOM 331 CD1 TYR A 496 3.253 -2.016 3.802 1.00 15.00 C ATOM 332 CD2 TYR A 496 4.816 -2.344 2.033 1.00 15.00 C ATOM 333 CE1 TYR A 496 3.957 -2.903 4.592 1.00 15.00 C ATOM 334 CE2 TYR A 496 5.521 -3.231 2.820 1.00 15.00 C ATOM 335 CZ TYR A 496 5.090 -3.507 4.096 1.00 15.00 C ATOM 336 OH TYR A 496 5.791 -4.391 4.879 1.00 15.00 O ATOM 0 H TYR A 496 0.308 0.025 1.617 1.00 15.00 H new ATOM 0 HA TYR A 496 2.069 -1.564 -0.168 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.584 -0.262 0.945 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.500 0.060 2.284 1.00 15.00 H new ATOM 0 HD1 TYR A 496 2.365 -1.545 4.197 1.00 15.00 H new ATOM 0 HD2 TYR A 496 5.162 -2.131 1.032 1.00 15.00 H new ATOM 0 HE1 TYR A 496 3.620 -3.122 5.595 1.00 15.00 H new ATOM 0 HE2 TYR A 496 6.410 -3.708 2.434 1.00 15.00 H new ATOM 0 HH TYR A 496 5.176 -4.839 5.497 1.00 15.00 H new ATOM 346 N ASP A 497 1.594 -3.765 0.695 1.00 15.00 N ATOM 347 CA ASP A 497 1.209 -5.137 1.068 1.00 15.00 C ATOM 348 C ASP A 497 2.304 -5.694 1.988 1.00 15.00 C ATOM 349 O ASP A 497 3.479 -5.628 1.630 1.00 15.00 O ATOM 350 CB ASP A 497 1.151 -6.039 -0.162 1.00 15.00 C ATOM 351 CG ASP A 497 0.644 -7.430 0.170 1.00 15.00 C ATOM 352 OD1 ASP A 497 -0.589 -7.644 0.161 1.00 15.00 O ATOM 353 OD2 ASP A 497 1.474 -8.314 0.451 1.00 15.00 O ATOM 0 H ASP A 497 2.151 -3.714 -0.158 1.00 15.00 H new ATOM 0 HA ASP A 497 0.231 -5.114 1.548 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.502 -5.587 -0.912 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.145 -6.112 -0.604 1.00 15.00 H new ATOM 358 N HIS A 498 1.953 -6.250 3.140 1.00 15.00 N ATOM 359 CA HIS A 498 2.974 -6.678 4.111 1.00 15.00 C ATOM 360 C HIS A 498 3.541 -8.043 3.740 1.00 15.00 C ATOM 361 O HIS A 498 4.632 -8.407 4.175 1.00 15.00 O ATOM 362 CB HIS A 498 2.426 -6.738 5.549 1.00 15.00 C ATOM 363 CG HIS A 498 1.749 -5.486 6.027 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.128 -4.609 5.179 1.00 15.00 N ATOM 365 CD2 HIS A 498 1.504 -5.020 7.277 1.00 15.00 C ATOM 366 CE1 HIS A 498 0.517 -3.684 5.862 1.00 15.00 C ATOM 367 NE2 HIS A 498 0.728 -3.893 7.143 1.00 15.00 N ATOM 0 H HIS A 498 0.989 -6.417 3.430 1.00 15.00 H new ATOM 0 HA HIS A 498 3.763 -5.927 4.075 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.718 -7.564 5.617 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.249 -6.968 6.225 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.853 -5.453 8.203 1.00 15.00 H new ATOM 0 HE1 HIS A 498 -0.067 -2.877 5.445 1.00 15.00 H new ATOM 0 HE2 HIS A 498 0.376 -3.317 7.907 1.00 15.00 H new ATOM 376 N ASN A 499 2.799 -8.796 2.936 1.00 15.00 N ATOM 377 CA ASN A 499 3.207 -10.147 2.568 1.00 15.00 C ATOM 378 C ASN A 499 4.216 -10.077 1.438 1.00 15.00 C ATOM 379 O ASN A 499 5.155 -10.867 1.364 1.00 15.00 O ATOM 380 CB ASN A 499 2.004 -10.990 2.122 1.00 15.00 C ATOM 381 CG ASN A 499 0.760 -10.733 2.950 1.00 15.00 C ATOM 382 OD1 ASN A 499 0.545 -11.353 3.991 1.00 15.00 O ATOM 383 ND2 ASN A 499 -0.082 -9.819 2.484 1.00 15.00 N ATOM 0 H ASN A 499 1.914 -8.495 2.527 1.00 15.00 H new ATOM 0 HA ASN A 499 3.652 -10.620 3.443 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.787 -10.778 1.075 1.00 15.00 H new ATOM 0 HB3 ASN A 499 2.264 -12.047 2.186 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -0.941 -9.610 2.993 1.00 15.00 H new ATOM 0 HD22 ASN A 499 0.130 -9.325 1.617 1.00 15.00 H new ATOM 390 N THR A 500 3.997 -9.126 0.549 1.00 15.00 N ATOM 391 CA THR A 500 4.868 -8.925 -0.591 1.00 15.00 C ATOM 392 C THR A 500 5.928 -7.871 -0.273 1.00 15.00 C ATOM 393 O THR A 500 6.914 -7.726 -0.999 1.00 15.00 O ATOM 394 CB THR A 500 4.048 -8.472 -1.814 1.00 15.00 C ATOM 395 OG1 THR A 500 2.789 -9.158 -1.832 1.00 15.00 O ATOM 396 CG2 THR A 500 4.789 -8.757 -3.112 1.00 15.00 C ATOM 0 H THR A 500 3.214 -8.475 0.597 1.00 15.00 H new ATOM 0 HA THR A 500 5.361 -9.871 -0.816 1.00 15.00 H new ATOM 0 HB THR A 500 3.890 -7.397 -1.734 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.254 -8.880 -1.059 1.00 15.00 H new ATOM 0 HG21 THR A 500 4.184 -8.426 -3.956 1.00 15.00 H new ATOM 0 HG22 THR A 500 5.739 -8.222 -3.114 1.00 15.00 H new ATOM 0 HG23 THR A 500 4.976 -9.828 -3.197 1.00 15.00 H new ATOM 404 N LYS A 501 5.704 -7.136 0.824 1.00 15.00 N ATOM 405 CA LYS A 501 6.600 -6.060 1.254 1.00 15.00 C ATOM 406 C LYS A 501 6.675 -4.968 0.191 1.00 15.00 C ATOM 407 O LYS A 501 7.625 -4.185 0.155 1.00 15.00 O ATOM 408 CB LYS A 501 8.004 -6.602 1.532 1.00 15.00 C ATOM 409 CG LYS A 501 8.080 -7.616 2.667 1.00 15.00 C ATOM 410 CD LYS A 501 7.750 -6.978 4.006 1.00 15.00 C ATOM 411 CE LYS A 501 7.972 -7.939 5.163 1.00 15.00 C ATOM 412 NZ LYS A 501 7.073 -9.121 5.099 1.00 15.00 N ATOM 0 H LYS A 501 4.899 -7.272 1.435 1.00 15.00 H new ATOM 0 HA LYS A 501 6.197 -5.636 2.173 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.387 -7.065 0.623 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.662 -5.765 1.765 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.387 -8.435 2.472 1.00 15.00 H new ATOM 0 HG3 LYS A 501 9.080 -8.047 2.705 1.00 15.00 H new ATOM 0 HD2 LYS A 501 8.368 -6.091 4.147 1.00 15.00 H new ATOM 0 HD3 LYS A 501 6.712 -6.646 4.004 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.009 -8.274 5.159 1.00 15.00 H new ATOM 0 HE3 LYS A 501 7.810 -7.414 6.104 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 7.114 -9.638 6.001 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 6.097 -8.806 4.925 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 7.377 -9.747 4.327 1.00 15.00 H new ATOM 426 N THR A 502 5.645 -4.884 -0.636 1.00 15.00 N ATOM 427 CA THR A 502 5.667 -3.987 -1.776 1.00 15.00 C ATOM 428 C THR A 502 4.874 -2.714 -1.506 1.00 15.00 C ATOM 429 O THR A 502 3.722 -2.755 -1.065 1.00 15.00 O ATOM 430 CB THR A 502 5.132 -4.681 -3.056 1.00 15.00 C ATOM 431 OG1 THR A 502 5.201 -3.785 -4.176 1.00 15.00 O ATOM 432 CG2 THR A 502 3.696 -5.157 -2.878 1.00 15.00 C ATOM 0 H THR A 502 4.786 -5.425 -0.538 1.00 15.00 H new ATOM 0 HA THR A 502 6.710 -3.714 -1.939 1.00 15.00 H new ATOM 0 HB THR A 502 5.762 -5.551 -3.242 1.00 15.00 H new ATOM 0 HG1 THR A 502 4.862 -4.236 -4.977 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.356 -5.638 -3.795 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.648 -5.870 -2.055 1.00 15.00 H new ATOM 0 HG23 THR A 502 3.055 -4.304 -2.656 1.00 15.00 H new ATOM 440 N THR A 503 5.513 -1.587 -1.752 1.00 15.00 N ATOM 441 CA THR A 503 4.850 -0.303 -1.732 1.00 15.00 C ATOM 442 C THR A 503 4.317 -0.002 -3.132 1.00 15.00 C ATOM 443 O THR A 503 5.088 0.173 -4.072 1.00 15.00 O ATOM 444 CB THR A 503 5.832 0.806 -1.295 1.00 15.00 C ATOM 445 OG1 THR A 503 7.181 0.393 -1.556 1.00 15.00 O ATOM 446 CG2 THR A 503 5.686 1.140 0.180 1.00 15.00 C ATOM 0 H THR A 503 6.508 -1.538 -1.971 1.00 15.00 H new ATOM 0 HA THR A 503 4.027 -0.332 -1.018 1.00 15.00 H new ATOM 0 HB THR A 503 5.595 1.701 -1.871 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.799 1.101 -1.279 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.394 1.924 0.447 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.671 1.485 0.376 1.00 15.00 H new ATOM 0 HG23 THR A 503 5.888 0.250 0.776 1.00 15.00 H new ATOM 454 N THR A 504 3.004 0.021 -3.289 1.00 15.00 N ATOM 455 CA THR A 504 2.425 0.211 -4.605 1.00 15.00 C ATOM 456 C THR A 504 1.474 1.397 -4.614 1.00 15.00 C ATOM 457 O THR A 504 0.848 1.708 -3.609 1.00 15.00 O ATOM 458 CB THR A 504 1.686 -1.064 -5.083 1.00 15.00 C ATOM 459 OG1 THR A 504 1.482 -1.017 -6.500 1.00 15.00 O ATOM 460 CG2 THR A 504 0.339 -1.231 -4.397 1.00 15.00 C ATOM 0 H THR A 504 2.328 -0.088 -2.533 1.00 15.00 H new ATOM 0 HA THR A 504 3.244 0.413 -5.295 1.00 15.00 H new ATOM 0 HB THR A 504 2.315 -1.915 -4.821 1.00 15.00 H new ATOM 0 HG1 THR A 504 1.016 -1.829 -6.790 1.00 15.00 H new ATOM 0 HG21 THR A 504 -0.145 -2.137 -4.761 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.486 -1.306 -3.320 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.291 -0.369 -4.618 1.00 15.00 H new ATOM 468 N TRP A 505 1.397 2.084 -5.738 1.00 15.00 N ATOM 469 CA TRP A 505 0.408 3.132 -5.895 1.00 15.00 C ATOM 470 C TRP A 505 -0.743 2.596 -6.738 1.00 15.00 C ATOM 471 O TRP A 505 -1.787 3.232 -6.882 1.00 15.00 O ATOM 472 CB TRP A 505 0.995 4.373 -6.566 1.00 15.00 C ATOM 473 CG TRP A 505 2.448 4.638 -6.284 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.493 4.302 -7.098 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.025 5.314 -5.146 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.676 4.731 -6.553 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.418 5.359 -5.369 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.523 5.895 -3.964 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.293 5.957 -4.480 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.402 6.482 -3.095 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.771 6.515 -3.356 1.00 15.00 C ATOM 0 H TRP A 505 2.000 1.938 -6.547 1.00 15.00 H new ATOM 0 HA TRP A 505 0.059 3.426 -4.905 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.864 4.278 -7.644 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.418 5.242 -6.251 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.400 3.774 -8.036 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.600 4.602 -6.966 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.465 5.877 -3.748 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.355 5.980 -4.673 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.027 6.930 -2.187 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.432 6.995 -2.649 1.00 15.00 H new ATOM 492 N GLU A 506 -0.519 1.417 -7.309 1.00 15.00 N ATOM 493 CA GLU A 506 -1.519 0.737 -8.117 1.00 15.00 C ATOM 494 C GLU A 506 -2.578 0.132 -7.213 1.00 15.00 C ATOM 495 O GLU A 506 -2.276 -0.246 -6.082 1.00 15.00 O ATOM 496 CB GLU A 506 -0.864 -0.363 -8.950 1.00 15.00 C ATOM 497 CG GLU A 506 0.143 0.153 -9.963 1.00 15.00 C ATOM 498 CD GLU A 506 -0.475 1.121 -10.948 1.00 15.00 C ATOM 499 OE1 GLU A 506 -1.431 0.733 -11.649 1.00 15.00 O ATOM 500 OE2 GLU A 506 -0.002 2.273 -11.031 1.00 15.00 O ATOM 0 H GLU A 506 0.361 0.908 -7.223 1.00 15.00 H new ATOM 0 HA GLU A 506 -1.983 1.459 -8.789 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.366 -1.064 -8.281 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.640 -0.920 -9.475 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.962 0.645 -9.439 1.00 15.00 H new ATOM 0 HG3 GLU A 506 0.572 -0.689 -10.506 1.00 15.00 H new ATOM 507 N ASP A 507 -3.804 0.028 -7.709 1.00 15.00 N ATOM 508 CA ASP A 507 -4.901 -0.502 -6.907 1.00 15.00 C ATOM 509 C ASP A 507 -4.615 -1.934 -6.448 1.00 15.00 C ATOM 510 O ASP A 507 -4.554 -2.855 -7.248 1.00 15.00 O ATOM 511 CB ASP A 507 -6.224 -0.453 -7.671 1.00 15.00 C ATOM 512 CG ASP A 507 -7.350 -1.127 -6.907 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.819 -0.564 -5.896 1.00 15.00 O ATOM 514 OD2 ASP A 507 -7.756 -2.240 -7.307 1.00 15.00 O ATOM 0 H ASP A 507 -4.064 0.301 -8.657 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.987 0.133 -6.025 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.491 0.586 -7.867 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.101 -0.939 -8.639 1.00 15.00 H new ATOM 519 N PRO A 508 -4.451 -2.097 -5.132 1.00 15.00 N ATOM 520 CA PRO A 508 -4.125 -3.357 -4.444 1.00 15.00 C ATOM 521 C PRO A 508 -5.316 -4.209 -4.262 1.00 15.00 C ATOM 522 O PRO A 508 -5.238 -5.337 -3.837 1.00 15.00 O ATOM 523 CB PRO A 508 -3.574 -2.922 -3.096 1.00 15.00 C ATOM 524 CG PRO A 508 -3.684 -1.439 -3.066 1.00 15.00 C ATOM 525 CD PRO A 508 -4.610 -1.027 -4.160 1.00 15.00 C ATOM 0 HA PRO A 508 -3.419 -3.956 -5.020 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.140 -3.372 -2.280 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.538 -3.239 -2.978 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -4.061 -1.104 -2.100 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -2.704 -0.981 -3.202 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.639 -0.947 -3.811 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.338 -0.057 -4.577 1.00 15.00 H new ATOM 533 N ARG A 509 -6.424 -3.647 -4.555 1.00 15.00 N ATOM 534 CA ARG A 509 -7.650 -4.278 -4.311 1.00 15.00 C ATOM 535 C ARG A 509 -7.820 -5.225 -5.451 1.00 15.00 C ATOM 536 O ARG A 509 -8.727 -6.046 -5.508 1.00 15.00 O ATOM 537 CB ARG A 509 -8.712 -3.220 -4.133 1.00 15.00 C ATOM 538 CG ARG A 509 -8.209 -2.180 -3.140 1.00 15.00 C ATOM 539 CD ARG A 509 -9.287 -1.202 -2.727 1.00 15.00 C ATOM 540 NE ARG A 509 -9.751 -0.378 -3.838 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.906 0.284 -3.829 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.754 0.134 -2.812 1.00 15.00 N ATOM 543 NH2 ARG A 509 -11.226 1.079 -4.839 1.00 15.00 N ATOM 0 H ARG A 509 -6.501 -2.722 -4.977 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.715 -4.858 -3.390 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -8.939 -2.749 -5.089 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.636 -3.671 -3.772 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.823 -2.685 -2.255 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.377 -1.633 -3.583 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.131 -1.752 -2.310 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.904 -0.557 -1.936 1.00 15.00 H new ATOM 0 HE ARG A 509 -9.159 -0.305 -4.665 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.518 -0.489 -2.039 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.639 0.642 -2.806 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -10.587 1.185 -5.627 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -12.112 1.585 -4.829 1.00 15.00 H new ATOM 557 N LEU A 510 -6.905 -5.052 -6.398 1.00 15.00 N ATOM 558 CA LEU A 510 -6.835 -5.930 -7.517 1.00 15.00 C ATOM 559 C LEU A 510 -6.510 -7.376 -7.064 1.00 15.00 C ATOM 560 O LEU A 510 -6.854 -8.343 -7.743 1.00 15.00 O ATOM 561 CB LEU A 510 -5.861 -5.411 -8.617 1.00 15.00 C ATOM 562 CG LEU A 510 -4.358 -5.822 -8.590 1.00 15.00 C ATOM 563 CD1 LEU A 510 -3.704 -5.628 -7.230 1.00 15.00 C ATOM 564 CD2 LEU A 510 -4.157 -7.251 -9.075 1.00 15.00 C ATOM 0 H LEU A 510 -6.209 -4.306 -6.396 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.820 -5.951 -7.984 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.264 -5.724 -9.580 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -5.899 -4.322 -8.595 1.00 15.00 H new ATOM 0 HG LEU A 510 -3.859 -5.143 -9.282 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -2.659 -5.933 -7.282 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -3.761 -4.577 -6.945 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.223 -6.234 -6.487 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -3.097 -7.501 -9.042 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -4.711 -7.935 -8.432 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -4.519 -7.342 -10.099 1.00 15.00 H new ATOM 576 N LYS A 511 -5.839 -7.498 -5.908 1.00 15.00 N ATOM 577 CA LYS A 511 -5.421 -8.795 -5.352 1.00 15.00 C ATOM 578 C LYS A 511 -6.573 -9.488 -4.638 1.00 15.00 C ATOM 579 O LYS A 511 -6.455 -10.640 -4.232 1.00 15.00 O ATOM 580 CB LYS A 511 -4.156 -8.711 -4.473 1.00 15.00 C ATOM 581 CG LYS A 511 -4.220 -7.746 -3.306 1.00 15.00 C ATOM 582 CD LYS A 511 -4.483 -8.430 -1.978 1.00 15.00 C ATOM 583 CE LYS A 511 -3.397 -9.456 -1.652 1.00 15.00 C ATOM 584 NZ LYS A 511 -2.016 -8.886 -1.716 1.00 15.00 N ATOM 0 H LYS A 511 -5.571 -6.700 -5.332 1.00 15.00 H new ATOM 0 HA LYS A 511 -5.137 -9.414 -6.203 1.00 15.00 H new ATOM 0 HB2 LYS A 511 -3.941 -9.706 -4.084 1.00 15.00 H new ATOM 0 HB3 LYS A 511 -3.316 -8.428 -5.107 1.00 15.00 H new ATOM 0 HG2 LYS A 511 -3.280 -7.197 -3.245 1.00 15.00 H new ATOM 0 HG3 LYS A 511 -5.005 -7.013 -3.492 1.00 15.00 H new ATOM 0 HD2 LYS A 511 -4.529 -7.683 -1.186 1.00 15.00 H new ATOM 0 HD3 LYS A 511 -5.454 -8.924 -2.008 1.00 15.00 H new ATOM 0 HE2 LYS A 511 -3.572 -9.858 -0.654 1.00 15.00 H new ATOM 0 HE3 LYS A 511 -3.472 -10.290 -2.349 1.00 15.00 H new ATOM 0 HZ1 LYS A 511 -1.320 -9.648 -1.587 1.00 15.00 H new ATOM 0 HZ2 LYS A 511 -1.869 -8.436 -2.642 1.00 15.00 H new ATOM 0 HZ3 LYS A 511 -1.898 -8.177 -0.964 1.00 15.00 H new ATOM 598 N PHE A 512 -7.683 -8.755 -4.475 1.00 15.00 N ATOM 599 CA PHE A 512 -8.889 -9.218 -3.739 1.00 15.00 C ATOM 600 C PHE A 512 -9.365 -10.682 -3.882 1.00 15.00 C ATOM 601 O PHE A 512 -9.956 -11.249 -2.960 1.00 15.00 O ATOM 602 CB PHE A 512 -10.052 -8.261 -3.962 1.00 15.00 C ATOM 603 CG PHE A 512 -10.165 -7.232 -2.886 1.00 15.00 C ATOM 604 CD1 PHE A 512 -9.136 -6.329 -2.637 1.00 15.00 C ATOM 605 CD2 PHE A 512 -11.306 -7.179 -2.103 1.00 15.00 C ATOM 606 CE1 PHE A 512 -9.265 -5.404 -1.632 1.00 15.00 C ATOM 607 CE2 PHE A 512 -11.428 -6.249 -1.093 1.00 15.00 C ATOM 608 CZ PHE A 512 -10.405 -5.360 -0.856 1.00 15.00 C ATOM 0 H PHE A 512 -7.779 -7.812 -4.851 1.00 15.00 H new ATOM 0 HA PHE A 512 -8.524 -9.208 -2.712 1.00 15.00 H new ATOM 0 HB2 PHE A 512 -9.928 -7.763 -4.924 1.00 15.00 H new ATOM 0 HB3 PHE A 512 -10.980 -8.830 -4.014 1.00 15.00 H new ATOM 0 HD1 PHE A 512 -8.237 -6.356 -3.234 1.00 15.00 H new ATOM 0 HD2 PHE A 512 -12.111 -7.876 -2.286 1.00 15.00 H new ATOM 0 HE1 PHE A 512 -8.465 -4.702 -1.446 1.00 15.00 H new ATOM 0 HE2 PHE A 512 -12.323 -6.218 -0.490 1.00 15.00 H new ATOM 0 HZ PHE A 512 -10.494 -4.630 -0.065 1.00 15.00 H new ATOM 618 N PRO A 513 -9.176 -11.233 -5.035 1.00 15.00 N ATOM 619 CA PRO A 513 -9.304 -12.650 -5.376 1.00 15.00 C ATOM 620 C PRO A 513 -8.671 -13.593 -4.331 1.00 15.00 C ATOM 621 O PRO A 513 -8.796 -14.814 -4.445 1.00 15.00 O ATOM 622 CB PRO A 513 -8.623 -12.708 -6.743 1.00 15.00 C ATOM 623 CG PRO A 513 -8.933 -11.362 -7.317 1.00 15.00 C ATOM 624 CD PRO A 513 -8.837 -10.432 -6.140 1.00 15.00 C ATOM 0 HA PRO A 513 -10.336 -13.000 -5.393 1.00 15.00 H new ATOM 0 HB2 PRO A 513 -7.549 -12.874 -6.655 1.00 15.00 H new ATOM 0 HB3 PRO A 513 -9.020 -13.514 -7.360 1.00 15.00 H new ATOM 0 HG2 PRO A 513 -8.225 -11.089 -8.100 1.00 15.00 H new ATOM 0 HG3 PRO A 513 -9.927 -11.338 -7.764 1.00 15.00 H new ATOM 0 HD2 PRO A 513 -7.833 -10.020 -6.039 1.00 15.00 H new ATOM 0 HD3 PRO A 513 -9.519 -9.588 -6.243 1.00 15.00 H new ATOM 632 N VAL A 514 -7.928 -13.019 -3.358 1.00 15.00 N ATOM 633 CA VAL A 514 -7.427 -13.751 -2.168 1.00 15.00 C ATOM 634 C VAL A 514 -8.508 -14.582 -1.485 1.00 15.00 C ATOM 635 O VAL A 514 -8.249 -15.378 -0.582 1.00 15.00 O ATOM 636 CB VAL A 514 -6.812 -12.805 -1.094 1.00 15.00 C ATOM 637 CG1 VAL A 514 -5.679 -11.957 -1.648 1.00 15.00 C ATOM 638 CG2 VAL A 514 -7.880 -11.911 -0.486 1.00 15.00 C ATOM 0 H VAL A 514 -7.658 -12.036 -3.374 1.00 15.00 H new ATOM 0 HA VAL A 514 -6.655 -14.409 -2.566 1.00 15.00 H new ATOM 0 HB VAL A 514 -6.394 -13.445 -0.317 1.00 15.00 H new ATOM 0 HG11 VAL A 514 -5.285 -11.316 -0.859 1.00 15.00 H new ATOM 0 HG12 VAL A 514 -4.885 -12.607 -2.017 1.00 15.00 H new ATOM 0 HG13 VAL A 514 -6.052 -11.340 -2.465 1.00 15.00 H new ATOM 0 HG21 VAL A 514 -7.427 -11.259 0.261 1.00 15.00 H new ATOM 0 HG22 VAL A 514 -8.335 -11.304 -1.269 1.00 15.00 H new ATOM 0 HG23 VAL A 514 -8.645 -12.527 -0.014 1.00 15.00 H new ATOM 648 N HIS A 515 -9.700 -14.357 -1.924 1.00 15.00 N ATOM 649 CA HIS A 515 -10.875 -15.064 -1.445 1.00 15.00 C ATOM 650 C HIS A 515 -11.424 -15.940 -2.563 1.00 15.00 C ATOM 651 O HIS A 515 -12.275 -15.452 -3.341 1.00 15.00 O ATOM 652 CB HIS A 515 -11.960 -14.090 -0.968 1.00 15.00 C ATOM 653 CG HIS A 515 -11.553 -13.227 0.186 1.00 15.00 C ATOM 654 ND1 HIS A 515 -11.151 -13.732 1.402 1.00 15.00 N ATOM 655 CD2 HIS A 515 -11.495 -11.879 0.304 1.00 15.00 C ATOM 656 CE1 HIS A 515 -10.871 -12.735 2.220 1.00 15.00 C ATOM 657 NE2 HIS A 515 -11.070 -11.600 1.578 1.00 15.00 N ATOM 658 OXT HIS A 515 -10.983 -17.098 -2.680 1.00 15.00 O ATOM 0 H HIS A 515 -9.906 -13.663 -2.643 1.00 15.00 H new ATOM 0 HA HIS A 515 -10.583 -15.681 -0.595 1.00 15.00 H new ATOM 0 HB2 HIS A 515 -12.248 -13.449 -1.801 1.00 15.00 H new ATOM 0 HB3 HIS A 515 -12.844 -14.661 -0.685 1.00 15.00 H new ATOM 0 HD2 HIS A 515 -11.738 -11.158 -0.462 1.00 15.00 H new ATOM 0 HE1 HIS A 515 -10.536 -12.832 3.242 1.00 15.00 H new ATOM 0 HE2 HIS A 515 -10.931 -10.667 1.966 1.00 15.00 H new TER 667 HIS A 515 ATOM 668 N ALA B 202 11.899 2.410 10.429 1.00 15.00 N ATOM 669 CA ALA B 202 10.812 2.244 9.443 1.00 15.00 C ATOM 670 C ALA B 202 9.994 0.996 9.745 1.00 15.00 C ATOM 671 O ALA B 202 10.406 -0.120 9.432 1.00 15.00 O ATOM 672 CB ALA B 202 11.380 2.179 8.032 1.00 15.00 C ATOM 0 HA ALA B 202 10.153 3.109 9.513 1.00 15.00 H new ATOM 0 HB1 ALA B 202 10.566 2.057 7.317 1.00 15.00 H new ATOM 0 HB2 ALA B 202 11.919 3.101 7.814 1.00 15.00 H new ATOM 0 HB3 ALA B 202 12.062 1.333 7.953 1.00 15.00 H new ATOM 680 N GLY B 203 8.851 1.193 10.382 1.00 15.00 N ATOM 681 CA GLY B 203 7.936 0.099 10.625 1.00 15.00 C ATOM 682 C GLY B 203 6.783 0.127 9.646 1.00 15.00 C ATOM 683 O GLY B 203 6.382 -0.904 9.107 1.00 15.00 O ATOM 0 H GLY B 203 8.539 2.097 10.737 1.00 15.00 H new ATOM 0 HA2 GLY B 203 8.467 -0.849 10.540 1.00 15.00 H new ATOM 0 HA3 GLY B 203 7.554 0.160 11.644 1.00 15.00 H new HETATM 687 N SEP B 204 6.265 1.322 9.413 1.00 15.00 N HETATM 688 CA SEP B 204 5.199 1.536 8.453 1.00 15.00 C HETATM 689 CB SEP B 204 4.211 2.557 9.017 1.00 15.00 C HETATM 690 OG SEP B 204 4.785 3.271 10.100 1.00 15.00 O HETATM 691 C SEP B 204 5.772 2.009 7.117 1.00 15.00 C HETATM 692 O SEP B 204 6.821 2.656 7.073 1.00 15.00 O HETATM 693 P SEP B 204 5.387 4.773 9.984 1.00 15.00 P HETATM 694 O1P SEP B 204 6.832 4.680 9.763 1.00 15.00 O HETATM 695 O2P SEP B 204 5.117 5.460 11.250 1.00 15.00 O HETATM 696 O3P SEP B 204 4.729 5.473 8.877 1.00 15.00 O HETATM 0 HB3 SEP B 204 3.915 3.254 8.233 1.00 15.00 H new HETATM 0 HB2 SEP B 204 3.306 2.048 9.350 1.00 15.00 H new HETATM 0 HA SEP B 204 4.675 0.597 8.275 1.00 15.00 H new HETATM 0 H SEP B 204 6.262 1.826 10.300 1.00 15.00 H new ATOM 701 N PRO B 205 5.091 1.680 6.012 1.00 15.00 N ATOM 702 CA PRO B 205 5.510 2.069 4.660 1.00 15.00 C ATOM 703 C PRO B 205 5.593 3.583 4.464 1.00 15.00 C ATOM 704 O PRO B 205 4.572 4.257 4.368 1.00 15.00 O ATOM 705 CB PRO B 205 4.402 1.492 3.771 1.00 15.00 C ATOM 706 CG PRO B 205 3.249 1.297 4.678 1.00 15.00 C ATOM 707 CD PRO B 205 3.854 0.892 5.983 1.00 15.00 C ATOM 0 HA PRO B 205 6.512 1.702 4.436 1.00 15.00 H new ATOM 0 HB2 PRO B 205 4.154 2.173 2.957 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.710 0.551 3.316 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.666 2.213 4.779 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.574 0.529 4.300 1.00 15.00 H new ATOM 0 HD2 PRO B 205 3.202 1.128 6.824 1.00 15.00 H new ATOM 0 HD3 PRO B 205 4.053 -0.179 6.024 1.00 15.00 H new ATOM 715 N ASN B 206 6.807 4.119 4.485 1.00 15.00 N ATOM 716 CA ASN B 206 7.037 5.513 4.113 1.00 15.00 C ATOM 717 C ASN B 206 7.995 5.596 2.929 1.00 15.00 C ATOM 718 O ASN B 206 8.142 6.641 2.302 1.00 15.00 O ATOM 719 CB ASN B 206 7.541 6.333 5.306 1.00 15.00 C ATOM 720 CG ASN B 206 7.828 7.793 4.981 1.00 15.00 C ATOM 721 OD1 ASN B 206 6.996 8.405 4.150 1.00 15.00 O flip ATOM 722 ND2 ASN B 206 8.776 8.379 5.510 1.00 15.00 N flip ATOM 0 H ASN B 206 7.649 3.611 4.756 1.00 15.00 H new ATOM 0 HA ASN B 206 6.085 5.947 3.807 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.799 6.289 6.103 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.451 5.872 5.691 1.00 15.00 H new ATOM 0 HD21 ASN B 206 9.396 7.876 6.145 1.00 15.00 H new ATOM 0 HD22 ASN B 206 8.939 9.366 5.313 1.00 15.00 H new ATOM 729 N LEU B 207 8.675 4.495 2.645 1.00 15.00 N ATOM 730 CA LEU B 207 9.606 4.460 1.528 1.00 15.00 C ATOM 731 C LEU B 207 8.853 4.511 0.196 1.00 15.00 C ATOM 732 O LEU B 207 8.249 3.525 -0.235 1.00 15.00 O ATOM 733 CB LEU B 207 10.530 3.226 1.593 1.00 15.00 C ATOM 734 CG LEU B 207 9.855 1.846 1.497 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.891 0.778 1.185 1.00 15.00 C ATOM 736 CD2 LEU B 207 9.122 1.498 2.786 1.00 15.00 C ATOM 0 H LEU B 207 8.601 3.622 3.167 1.00 15.00 H new ATOM 0 HA LEU B 207 10.240 5.343 1.599 1.00 15.00 H new ATOM 0 HB2 LEU B 207 11.258 3.304 0.786 1.00 15.00 H new ATOM 0 HB3 LEU B 207 11.086 3.267 2.529 1.00 15.00 H new ATOM 0 HG LEU B 207 9.123 1.885 0.691 1.00 15.00 H new ATOM 0 HD11 LEU B 207 10.403 -0.194 1.119 1.00 15.00 H new ATOM 0 HD12 LEU B 207 11.374 1.006 0.235 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.640 0.755 1.977 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.656 0.518 2.686 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.831 1.480 3.614 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.354 2.247 2.981 1.00 15.00 H new HETATM 748 N SEP B 208 8.847 5.686 -0.412 1.00 15.00 N HETATM 749 CA SEP B 208 8.222 5.883 -1.710 1.00 15.00 C HETATM 750 CB SEP B 208 8.159 7.383 -2.017 1.00 15.00 C HETATM 751 OG SEP B 208 7.575 8.101 -0.950 1.00 15.00 O HETATM 752 C SEP B 208 9.021 5.164 -2.795 1.00 15.00 C HETATM 753 O SEP B 208 10.205 5.447 -2.981 1.00 15.00 O HETATM 754 P SEP B 208 8.314 9.306 -0.172 1.00 15.00 P HETATM 755 O1P SEP B 208 7.375 9.897 0.790 1.00 15.00 O HETATM 756 O2P SEP B 208 8.730 10.301 -1.162 1.00 15.00 O HETATM 757 O3P SEP B 208 9.492 8.773 0.504 1.00 15.00 O HETATM 0 HB3 SEP B 208 9.164 7.760 -2.205 1.00 15.00 H new HETATM 0 HB2 SEP B 208 7.582 7.546 -2.927 1.00 15.00 H new HETATM 0 HA SEP B 208 7.213 5.471 -1.690 1.00 15.00 H new HETATM 0 H SEP B 208 9.160 6.491 0.131 1.00 15.00 H new ATOM 762 N PRO B 209 8.405 4.203 -3.506 1.00 15.00 N ATOM 763 CA PRO B 209 9.053 3.539 -4.637 1.00 15.00 C ATOM 764 C PRO B 209 9.368 4.524 -5.752 1.00 15.00 C ATOM 765 O PRO B 209 8.501 5.295 -6.173 1.00 15.00 O ATOM 766 CB PRO B 209 8.018 2.523 -5.125 1.00 15.00 C ATOM 767 CG PRO B 209 7.039 2.387 -4.015 1.00 15.00 C ATOM 768 CD PRO B 209 7.049 3.687 -3.269 1.00 15.00 C ATOM 0 HA PRO B 209 10.000 3.084 -4.347 1.00 15.00 H new ATOM 0 HB2 PRO B 209 7.531 2.867 -6.038 1.00 15.00 H new ATOM 0 HB3 PRO B 209 8.486 1.566 -5.355 1.00 15.00 H new ATOM 0 HG2 PRO B 209 6.043 2.171 -4.402 1.00 15.00 H new ATOM 0 HG3 PRO B 209 7.312 1.562 -3.357 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.287 4.371 -3.643 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.854 3.542 -2.206 1.00 15.00 H new ATOM 776 N ASN B 210 10.600 4.491 -6.226 1.00 15.00 N ATOM 777 CA ASN B 210 11.023 5.376 -7.297 1.00 15.00 C ATOM 778 C ASN B 210 10.597 4.793 -8.641 1.00 15.00 C ATOM 779 O ASN B 210 11.048 3.711 -9.020 1.00 15.00 O ATOM 780 CB ASN B 210 12.542 5.577 -7.253 1.00 15.00 C ATOM 781 CG ASN B 210 13.039 6.564 -8.293 1.00 15.00 C ATOM 782 OD1 ASN B 210 12.331 7.491 -8.687 1.00 15.00 O ATOM 783 ND2 ASN B 210 14.275 6.386 -8.728 1.00 15.00 N ATOM 0 H ASN B 210 11.326 3.860 -5.886 1.00 15.00 H new ATOM 0 HA ASN B 210 10.548 6.348 -7.167 1.00 15.00 H new ATOM 0 HB2 ASN B 210 12.828 5.927 -6.261 1.00 15.00 H new ATOM 0 HB3 ASN B 210 13.035 4.617 -7.406 1.00 15.00 H new ATOM 0 HD21 ASN B 210 14.672 7.029 -9.413 1.00 15.00 H new ATOM 0 HD22 ASN B 210 14.831 5.606 -8.378 1.00 15.00 H new ATOM 790 N PRO B 211 9.694 5.485 -9.355 1.00 15.00 N ATOM 791 CA PRO B 211 9.168 5.022 -10.647 1.00 15.00 C ATOM 792 C PRO B 211 10.268 4.812 -11.680 1.00 15.00 C ATOM 793 O PRO B 211 10.502 3.650 -12.076 1.00 15.00 O ATOM 794 CB PRO B 211 8.229 6.152 -11.085 1.00 15.00 C ATOM 795 CG PRO B 211 7.892 6.880 -9.830 1.00 15.00 C ATOM 796 CD PRO B 211 9.112 6.779 -8.962 1.00 15.00 C ATOM 797 OXT PRO B 211 10.910 5.807 -12.074 1.00 15.00 O ATOM 0 HA PRO B 211 8.674 4.055 -10.557 1.00 15.00 H new ATOM 0 HB2 PRO B 211 8.713 6.811 -11.806 1.00 15.00 H new ATOM 0 HB3 PRO B 211 7.334 5.758 -11.565 1.00 15.00 H new ATOM 0 HG2 PRO B 211 7.643 7.921 -10.036 1.00 15.00 H new ATOM 0 HG3 PRO B 211 7.025 6.436 -9.340 1.00 15.00 H new ATOM 0 HD2 PRO B 211 9.803 7.603 -9.140 1.00 15.00 H new ATOM 0 HD3 PRO B 211 8.856 6.801 -7.903 1.00 15.00 H new TER 805 PRO B 211