USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=10 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= -0.0447 K(o=0.14,f=-4.3) USER MOD Set 1.2: A 500 THR OG1 : rot 75:sc= 0.493 USER MOD Set 1.3: A 511 LYS NZ :NH3+ 176:sc= -0.305 (180deg=-0.603) USER MOD Single : A 476 GLN : amide:sc= 0.171 K(o=0.17,f=-1.2) USER MOD Single : A 477 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 485 MET CE :methyl 149:sc= -0.281 (180deg=-1.13) USER MOD Single : A 490 ASN : amide:sc= -9.67! C(o=-9.7!,f=-25!) USER MOD Single : A 496 TYR OH : rot 180:sc= 0 USER MOD Single : A 498 HIS : no HD1:sc= -3.94 K(o=-3.9,f=-7.1!) USER MOD Single : A 501 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0488) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0.0838 USER MOD Single : A 515 HIS : no HE2:sc= 0.211 K(o=0.21,f=-5.7!) USER MOD Single : B 206 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : B 210 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 476 -6.770 -2.536 5.613 1.00 15.00 N ATOM 2 CA GLN A 476 -7.436 -1.241 5.889 1.00 15.00 C ATOM 3 C GLN A 476 -8.908 -1.300 5.505 1.00 15.00 C ATOM 4 O GLN A 476 -9.376 -2.301 4.975 1.00 15.00 O ATOM 5 CB GLN A 476 -6.736 -0.103 5.144 1.00 15.00 C ATOM 6 CG GLN A 476 -5.499 0.413 5.860 1.00 15.00 C ATOM 7 CD GLN A 476 -5.822 0.933 7.249 1.00 15.00 C ATOM 8 OE1 GLN A 476 -6.934 1.403 7.501 1.00 15.00 O ATOM 9 NE2 GLN A 476 -4.856 0.863 8.151 1.00 15.00 N ATOM 0 HA GLN A 476 -7.367 -1.046 6.959 1.00 15.00 H new ATOM 0 HB2 GLN A 476 -6.454 -0.449 4.149 1.00 15.00 H new ATOM 0 HB3 GLN A 476 -7.438 0.719 5.008 1.00 15.00 H new ATOM 0 HG2 GLN A 476 -4.763 -0.387 5.935 1.00 15.00 H new ATOM 0 HG3 GLN A 476 -5.045 1.210 5.271 1.00 15.00 H new ATOM 0 HE21 GLN A 476 -3.951 0.466 7.899 1.00 15.00 H new ATOM 0 HE22 GLN A 476 -5.017 1.206 9.098 1.00 15.00 H new ATOM 18 N SER A 477 -9.630 -0.221 5.763 1.00 15.00 N ATOM 19 CA SER A 477 -11.073 -0.185 5.540 1.00 15.00 C ATOM 20 C SER A 477 -11.431 -0.181 4.051 1.00 15.00 C ATOM 21 O SER A 477 -12.557 -0.503 3.673 1.00 15.00 O ATOM 22 CB SER A 477 -11.657 1.061 6.203 1.00 15.00 C ATOM 23 OG SER A 477 -10.914 1.418 7.360 1.00 15.00 O ATOM 0 H SER A 477 -9.241 0.648 6.129 1.00 15.00 H new ATOM 0 HA SER A 477 -11.496 -1.088 5.979 1.00 15.00 H new ATOM 0 HB2 SER A 477 -11.654 1.889 5.495 1.00 15.00 H new ATOM 0 HB3 SER A 477 -12.696 0.879 6.476 1.00 15.00 H new ATOM 0 HG SER A 477 -11.306 2.219 7.766 1.00 15.00 H new ATOM 29 N PHE A 478 -10.483 0.218 3.209 1.00 15.00 N ATOM 30 CA PHE A 478 -10.764 0.420 1.780 1.00 15.00 C ATOM 31 C PHE A 478 -10.349 -0.907 1.195 1.00 15.00 C ATOM 32 O PHE A 478 -10.812 -1.384 0.164 1.00 15.00 O ATOM 33 CB PHE A 478 -9.710 1.264 1.055 1.00 15.00 C ATOM 34 CG PHE A 478 -8.977 2.202 1.924 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.513 2.827 3.032 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.607 2.215 1.741 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.668 3.427 3.937 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.803 2.838 2.592 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.307 3.423 3.689 1.00 15.00 C ATOM 0 H PHE A 478 -9.519 0.408 3.482 1.00 15.00 H new ATOM 0 HA PHE A 478 -11.771 0.827 1.683 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -8.994 0.596 0.577 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.198 1.829 0.261 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.582 2.845 3.186 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.183 1.707 0.887 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.061 3.894 4.828 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.741 2.874 2.402 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.638 3.899 4.391 1.00 15.00 H new ATOM 49 N LEU A 479 -9.368 -1.425 1.935 1.00 15.00 N ATOM 50 CA LEU A 479 -8.138 -1.914 1.373 1.00 15.00 C ATOM 51 C LEU A 479 -7.809 -3.322 1.906 1.00 15.00 C ATOM 52 O LEU A 479 -8.044 -3.608 3.076 1.00 15.00 O ATOM 53 CB LEU A 479 -7.068 -0.805 1.693 1.00 15.00 C ATOM 54 CG LEU A 479 -5.731 -0.898 0.967 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.872 -0.279 -0.402 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.628 -0.176 1.721 1.00 15.00 C ATOM 0 H LEU A 479 -9.419 -1.511 2.950 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.182 -2.064 0.294 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.509 0.166 1.466 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.872 -0.823 2.765 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.459 -1.951 0.894 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.920 -0.341 -0.929 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.635 -0.815 -0.967 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.163 0.766 -0.300 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.692 -0.266 1.170 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.888 0.877 1.825 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.512 -0.620 2.709 1.00 15.00 H new ATOM 68 N PRO A 480 -7.204 -4.184 1.059 1.00 15.00 N ATOM 69 CA PRO A 480 -7.068 -5.643 1.321 1.00 15.00 C ATOM 70 C PRO A 480 -6.274 -5.954 2.618 1.00 15.00 C ATOM 71 O PRO A 480 -5.720 -5.051 3.251 1.00 15.00 O ATOM 72 CB PRO A 480 -6.299 -6.152 0.075 1.00 15.00 C ATOM 73 CG PRO A 480 -6.336 -5.069 -0.933 1.00 15.00 C ATOM 74 CD PRO A 480 -6.571 -3.785 -0.207 1.00 15.00 C ATOM 0 HA PRO A 480 -8.036 -6.120 1.473 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.270 -6.402 0.333 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.759 -7.059 -0.317 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.398 -5.029 -1.487 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.128 -5.249 -1.660 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.636 -3.252 -0.032 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.216 -3.118 -0.780 1.00 15.00 H new ATOM 82 N PRO A 481 -6.188 -7.243 3.017 1.00 15.00 N ATOM 83 CA PRO A 481 -5.500 -7.673 4.259 1.00 15.00 C ATOM 84 C PRO A 481 -3.960 -7.636 4.184 1.00 15.00 C ATOM 85 O PRO A 481 -3.280 -8.314 4.955 1.00 15.00 O ATOM 86 CB PRO A 481 -5.971 -9.127 4.444 1.00 15.00 C ATOM 87 CG PRO A 481 -7.076 -9.328 3.461 1.00 15.00 C ATOM 88 CD PRO A 481 -6.792 -8.391 2.330 1.00 15.00 C ATOM 0 HA PRO A 481 -5.745 -6.998 5.079 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.156 -9.828 4.264 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.319 -9.298 5.463 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.108 -10.361 3.114 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.045 -9.114 3.912 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.113 -8.830 1.599 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.700 -8.113 1.795 1.00 15.00 H new ATOM 96 N GLY A 482 -3.417 -6.804 3.306 1.00 15.00 N ATOM 97 CA GLY A 482 -1.975 -6.681 3.156 1.00 15.00 C ATOM 98 C GLY A 482 -1.554 -5.296 3.480 1.00 15.00 C ATOM 99 O GLY A 482 -0.392 -4.966 3.422 1.00 15.00 O ATOM 0 H GLY A 482 -3.957 -6.202 2.684 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.470 -7.388 3.814 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.683 -6.931 2.136 1.00 15.00 H new ATOM 103 N TRP A 483 -2.510 -4.477 3.821 1.00 15.00 N ATOM 104 CA TRP A 483 -2.427 -3.124 3.376 1.00 15.00 C ATOM 105 C TRP A 483 -2.512 -2.071 4.436 1.00 15.00 C ATOM 106 O TRP A 483 -3.386 -2.065 5.306 1.00 15.00 O ATOM 107 CB TRP A 483 -3.480 -2.949 2.320 1.00 15.00 C ATOM 108 CG TRP A 483 -3.236 -3.908 1.221 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.828 -5.097 1.016 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.256 -3.806 0.235 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.293 -5.715 -0.069 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.351 -4.945 -0.557 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.325 -2.865 -0.075 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.583 -5.183 -1.618 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.524 -3.097 -1.144 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.649 -4.248 -1.922 1.00 15.00 C ATOM 0 H TRP A 483 -3.326 -4.715 4.385 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.422 -2.966 2.986 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.470 -3.112 2.747 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.462 -1.928 1.938 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.619 -5.504 1.628 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.576 -6.622 -0.440 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.227 -1.963 0.511 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.698 -6.079 -2.209 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.232 -2.370 -1.400 1.00 15.00 H new ATOM 0 HH2 TRP A 483 0.002 -4.395 -2.771 1.00 15.00 H new ATOM 127 N GLU A 484 -1.593 -1.151 4.266 1.00 15.00 N ATOM 128 CA GLU A 484 -1.451 0.017 5.105 1.00 15.00 C ATOM 129 C GLU A 484 -1.409 1.239 4.204 1.00 15.00 C ATOM 130 O GLU A 484 -0.477 1.397 3.413 1.00 15.00 O ATOM 131 CB GLU A 484 -0.165 -0.110 5.928 1.00 15.00 C ATOM 132 CG GLU A 484 0.094 1.001 6.931 1.00 15.00 C ATOM 133 CD GLU A 484 -1.154 1.477 7.651 1.00 15.00 C ATOM 134 OE1 GLU A 484 -1.971 0.631 8.069 1.00 15.00 O ATOM 135 OE2 GLU A 484 -1.330 2.706 7.786 1.00 15.00 O ATOM 0 H GLU A 484 -0.902 -1.195 3.517 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.287 0.111 5.798 1.00 15.00 H new ATOM 0 HB2 GLU A 484 -0.192 -1.058 6.465 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.680 -0.157 5.241 1.00 15.00 H new ATOM 0 HG2 GLU A 484 0.817 0.651 7.668 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.549 1.846 6.414 1.00 15.00 H new ATOM 142 N MET A 485 -2.430 2.081 4.288 1.00 15.00 N ATOM 143 CA MET A 485 -2.504 3.245 3.425 1.00 15.00 C ATOM 144 C MET A 485 -1.821 4.409 4.098 1.00 15.00 C ATOM 145 O MET A 485 -2.364 5.018 5.022 1.00 15.00 O ATOM 146 CB MET A 485 -3.942 3.641 3.121 1.00 15.00 C ATOM 147 CG MET A 485 -4.070 4.550 1.904 1.00 15.00 C ATOM 148 SD MET A 485 -5.443 5.718 2.015 1.00 15.00 S ATOM 149 CE MET A 485 -4.987 6.657 3.473 1.00 15.00 C ATOM 0 H MET A 485 -3.209 1.979 4.938 1.00 15.00 H new ATOM 0 HA MET A 485 -2.012 2.989 2.487 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.533 2.740 2.957 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.364 4.146 3.990 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.141 5.105 1.777 1.00 15.00 H new ATOM 0 HG3 MET A 485 -4.198 3.935 1.013 1.00 15.00 H new ATOM 0 HE1 MET A 485 -5.355 7.678 3.378 1.00 15.00 H new ATOM 0 HE2 MET A 485 -5.426 6.194 4.356 1.00 15.00 H new ATOM 0 HE3 MET A 485 -3.902 6.671 3.572 1.00 15.00 H new ATOM 159 N ARG A 486 -0.620 4.700 3.672 1.00 15.00 N ATOM 160 CA ARG A 486 0.115 5.791 4.255 1.00 15.00 C ATOM 161 C ARG A 486 0.266 6.917 3.256 1.00 15.00 C ATOM 162 O ARG A 486 0.892 6.770 2.217 1.00 15.00 O ATOM 163 CB ARG A 486 1.466 5.308 4.765 1.00 15.00 C ATOM 164 CG ARG A 486 1.350 4.344 5.928 1.00 15.00 C ATOM 165 CD ARG A 486 0.974 5.054 7.217 1.00 15.00 C ATOM 166 NE ARG A 486 2.122 5.725 7.825 1.00 15.00 N ATOM 167 CZ ARG A 486 2.112 6.261 9.046 1.00 15.00 C ATOM 168 NH1 ARG A 486 1.006 6.243 9.781 1.00 15.00 N ATOM 169 NH2 ARG A 486 3.216 6.797 9.545 1.00 15.00 N ATOM 0 H ARG A 486 -0.133 4.200 2.928 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.441 6.178 5.109 1.00 15.00 H new ATOM 0 HB2 ARG A 486 2.003 4.823 3.950 1.00 15.00 H new ATOM 0 HB3 ARG A 486 2.061 6.168 5.071 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.600 3.587 5.699 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.298 3.823 6.064 1.00 15.00 H new ATOM 0 HD2 ARG A 486 0.192 5.785 7.014 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.560 4.332 7.922 1.00 15.00 H new ATOM 0 HE ARG A 486 2.983 5.787 7.282 1.00 15.00 H new ATOM 0 HH11 ARG A 486 0.156 5.817 9.413 1.00 15.00 H new ATOM 0 HH12 ARG A 486 1.007 6.655 10.714 1.00 15.00 H new ATOM 0 HH21 ARG A 486 4.075 6.800 8.995 1.00 15.00 H new ATOM 0 HH22 ARG A 486 3.207 7.207 10.479 1.00 15.00 H new ATOM 183 N ILE A 487 -0.366 8.017 3.574 1.00 15.00 N ATOM 184 CA ILE A 487 -0.266 9.232 2.800 1.00 15.00 C ATOM 185 C ILE A 487 0.888 10.054 3.325 1.00 15.00 C ATOM 186 O ILE A 487 0.925 10.458 4.488 1.00 15.00 O ATOM 187 CB ILE A 487 -1.603 9.972 2.800 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.441 11.402 2.254 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.241 9.918 4.176 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.701 12.234 2.343 1.00 15.00 C ATOM 0 H ILE A 487 -0.974 8.097 4.389 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.052 9.011 1.754 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.291 9.469 2.121 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.645 11.904 2.805 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.124 11.350 1.213 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.192 10.450 4.157 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.412 8.879 4.457 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.578 10.386 4.903 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.510 13.228 1.940 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.494 11.756 1.768 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.009 12.318 3.385 1.00 15.00 H new ATOM 202 N ALA A 488 1.840 10.265 2.439 1.00 15.00 N ATOM 203 CA ALA A 488 3.142 10.773 2.793 1.00 15.00 C ATOM 204 C ALA A 488 3.139 12.289 2.751 1.00 15.00 C ATOM 205 O ALA A 488 2.351 12.875 2.011 1.00 15.00 O ATOM 206 CB ALA A 488 4.192 10.258 1.835 1.00 15.00 C ATOM 0 H ALA A 488 1.726 10.085 1.442 1.00 15.00 H new ATOM 0 HA ALA A 488 3.376 10.432 3.801 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.168 10.652 2.118 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.216 9.169 1.872 1.00 15.00 H new ATOM 0 HB3 ALA A 488 3.950 10.581 0.822 1.00 15.00 H new ATOM 212 N PRO A 489 3.975 12.947 3.571 1.00 15.00 N ATOM 213 CA PRO A 489 4.064 14.420 3.628 1.00 15.00 C ATOM 214 C PRO A 489 4.293 15.106 2.266 1.00 15.00 C ATOM 215 O PRO A 489 4.332 16.335 2.196 1.00 15.00 O ATOM 216 CB PRO A 489 5.264 14.669 4.542 1.00 15.00 C ATOM 217 CG PRO A 489 5.356 13.450 5.391 1.00 15.00 C ATOM 218 CD PRO A 489 4.905 12.308 4.523 1.00 15.00 C ATOM 0 HA PRO A 489 3.121 14.841 3.978 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.176 14.819 3.965 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.120 15.563 5.148 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.376 13.295 5.742 1.00 15.00 H new ATOM 0 HG3 PRO A 489 4.725 13.541 6.275 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.744 11.837 4.010 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.411 11.531 5.106 1.00 15.00 H new ATOM 226 N ASN A 490 4.454 14.334 1.189 1.00 15.00 N ATOM 227 CA ASN A 490 4.593 14.911 -0.145 1.00 15.00 C ATOM 228 C ASN A 490 3.266 14.815 -0.892 1.00 15.00 C ATOM 229 O ASN A 490 3.070 15.453 -1.926 1.00 15.00 O ATOM 230 CB ASN A 490 5.685 14.187 -0.943 1.00 15.00 C ATOM 231 CG ASN A 490 5.548 12.684 -0.830 1.00 15.00 C ATOM 232 OD1 ASN A 490 4.524 12.185 -0.378 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.537 11.939 -1.278 1.00 15.00 N ATOM 0 H ASN A 490 4.491 13.315 1.216 1.00 15.00 H new ATOM 0 HA ASN A 490 4.878 15.958 -0.037 1.00 15.00 H new ATOM 0 HB2 ASN A 490 5.627 14.481 -1.991 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.666 14.493 -0.580 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.461 10.922 -1.254 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.379 12.379 -1.649 1.00 15.00 H new ATOM 240 N GLY A 491 2.368 13.989 -0.369 1.00 15.00 N ATOM 241 CA GLY A 491 1.101 13.747 -1.028 1.00 15.00 C ATOM 242 C GLY A 491 1.065 12.373 -1.659 1.00 15.00 C ATOM 243 O GLY A 491 0.291 12.121 -2.583 1.00 15.00 O ATOM 0 H GLY A 491 2.497 13.480 0.505 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.289 13.840 -0.306 1.00 15.00 H new ATOM 0 HA3 GLY A 491 0.936 14.506 -1.793 1.00 15.00 H new ATOM 247 N ARG A 492 1.919 11.491 -1.155 1.00 15.00 N ATOM 248 CA ARG A 492 2.045 10.141 -1.685 1.00 15.00 C ATOM 249 C ARG A 492 1.422 9.113 -0.748 1.00 15.00 C ATOM 250 O ARG A 492 2.014 8.753 0.258 1.00 15.00 O ATOM 251 CB ARG A 492 3.521 9.796 -1.899 1.00 15.00 C ATOM 252 CG ARG A 492 4.190 10.648 -2.952 1.00 15.00 C ATOM 253 CD ARG A 492 4.943 9.851 -3.998 1.00 15.00 C ATOM 254 NE ARG A 492 6.395 9.838 -3.776 1.00 15.00 N ATOM 255 CZ ARG A 492 7.286 9.653 -4.751 1.00 15.00 C ATOM 256 NH1 ARG A 492 6.881 9.421 -5.997 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.580 9.699 -4.472 1.00 15.00 N ATOM 0 H ARG A 492 2.541 11.691 -0.371 1.00 15.00 H new ATOM 0 HA ARG A 492 1.514 10.110 -2.636 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.054 9.913 -0.955 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.604 8.747 -2.184 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.434 11.257 -3.448 1.00 15.00 H new ATOM 0 HG3 ARG A 492 4.882 11.335 -2.464 1.00 15.00 H new ATOM 0 HD2 ARG A 492 4.573 8.826 -4.002 1.00 15.00 H new ATOM 0 HD3 ARG A 492 4.736 10.268 -4.983 1.00 15.00 H new ATOM 0 HE ARG A 492 6.740 9.978 -2.826 1.00 15.00 H new ATOM 0 HH11 ARG A 492 5.884 9.384 -6.211 1.00 15.00 H new ATOM 0 HH12 ARG A 492 7.567 9.280 -6.738 1.00 15.00 H new ATOM 0 HH21 ARG A 492 8.890 9.875 -3.516 1.00 15.00 H new ATOM 0 HH22 ARG A 492 9.267 9.558 -5.213 1.00 15.00 H new ATOM 271 N PRO A 493 0.207 8.652 -1.042 1.00 15.00 N ATOM 272 CA PRO A 493 -0.399 7.530 -0.340 1.00 15.00 C ATOM 273 C PRO A 493 -0.039 6.243 -1.000 1.00 15.00 C ATOM 274 O PRO A 493 -0.529 5.895 -2.075 1.00 15.00 O ATOM 275 CB PRO A 493 -1.904 7.821 -0.434 1.00 15.00 C ATOM 276 CG PRO A 493 -1.972 9.182 -1.038 1.00 15.00 C ATOM 277 CD PRO A 493 -0.766 9.265 -1.925 1.00 15.00 C ATOM 0 HA PRO A 493 -0.062 7.429 0.692 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.415 7.084 -1.053 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.377 7.796 0.548 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.892 9.317 -1.607 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.954 9.957 -0.272 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.891 8.717 -2.859 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.508 10.290 -2.190 1.00 15.00 H new ATOM 285 N PHE A 494 0.890 5.567 -0.351 1.00 15.00 N ATOM 286 CA PHE A 494 1.457 4.388 -0.884 1.00 15.00 C ATOM 287 C PHE A 494 0.545 3.303 -0.359 1.00 15.00 C ATOM 288 O PHE A 494 0.320 3.233 0.854 1.00 15.00 O ATOM 289 CB PHE A 494 2.822 4.111 -0.263 1.00 15.00 C ATOM 290 CG PHE A 494 3.607 5.308 0.222 1.00 15.00 C ATOM 291 CD1 PHE A 494 4.465 6.035 -0.576 1.00 15.00 C ATOM 292 CD2 PHE A 494 3.497 5.669 1.556 1.00 15.00 C ATOM 293 CE1 PHE A 494 5.204 7.085 -0.044 1.00 15.00 C ATOM 294 CE2 PHE A 494 4.206 6.698 2.079 1.00 15.00 C ATOM 295 CZ PHE A 494 5.072 7.407 1.293 1.00 15.00 C ATOM 0 H PHE A 494 1.259 5.838 0.561 1.00 15.00 H new ATOM 0 HA PHE A 494 1.562 4.450 -1.967 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.681 3.434 0.579 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.429 3.583 -0.998 1.00 15.00 H new ATOM 0 HD1 PHE A 494 4.563 5.787 -1.622 1.00 15.00 H new ATOM 0 HD2 PHE A 494 2.827 5.114 2.196 1.00 15.00 H new ATOM 0 HE1 PHE A 494 5.879 7.647 -0.673 1.00 15.00 H new ATOM 0 HE2 PHE A 494 4.087 6.959 3.120 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.650 8.215 1.716 1.00 15.00 H new ATOM 305 N PHE A 495 0.012 2.474 -1.199 1.00 15.00 N ATOM 306 CA PHE A 495 -0.749 1.362 -0.703 1.00 15.00 C ATOM 307 C PHE A 495 0.252 0.213 -0.510 1.00 15.00 C ATOM 308 O PHE A 495 0.685 -0.385 -1.489 1.00 15.00 O ATOM 309 CB PHE A 495 -1.830 0.932 -1.703 1.00 15.00 C ATOM 310 CG PHE A 495 -2.882 1.970 -2.000 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.816 2.321 -1.041 1.00 15.00 C ATOM 312 CD2 PHE A 495 -2.942 2.587 -3.243 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.784 3.269 -1.309 1.00 15.00 C ATOM 314 CE2 PHE A 495 -3.908 3.537 -3.515 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.829 3.879 -2.546 1.00 15.00 C ATOM 0 H PHE A 495 0.084 2.539 -2.214 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.256 1.632 0.223 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.346 0.651 -2.638 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.323 0.039 -1.319 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -3.788 1.848 -0.071 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -2.225 2.321 -4.006 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -5.506 3.533 -0.550 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -3.942 4.011 -4.485 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.584 4.623 -2.755 1.00 15.00 H new ATOM 325 N TYR A 496 0.697 -0.048 0.718 1.00 15.00 N ATOM 326 CA TYR A 496 1.794 -1.004 0.916 1.00 15.00 C ATOM 327 C TYR A 496 1.318 -2.339 1.497 1.00 15.00 C ATOM 328 O TYR A 496 0.623 -2.387 2.514 1.00 15.00 O ATOM 329 CB TYR A 496 2.919 -0.361 1.753 1.00 15.00 C ATOM 330 CG TYR A 496 3.783 -1.325 2.564 1.00 15.00 C ATOM 331 CD1 TYR A 496 4.882 -1.974 2.003 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.513 -1.562 3.906 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.671 -2.824 2.756 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.301 -2.406 4.663 1.00 15.00 C ATOM 335 CZ TYR A 496 5.377 -3.035 4.084 1.00 15.00 C ATOM 336 OH TYR A 496 6.163 -3.878 4.835 1.00 15.00 O ATOM 0 H TYR A 496 0.330 0.373 1.571 1.00 15.00 H new ATOM 0 HA TYR A 496 2.203 -1.248 -0.064 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.568 0.201 1.082 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.470 0.358 2.438 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.121 -1.810 0.963 1.00 15.00 H new ATOM 0 HD2 TYR A 496 2.667 -1.075 4.368 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.516 -3.321 2.303 1.00 15.00 H new ATOM 0 HE2 TYR A 496 4.073 -2.571 5.706 1.00 15.00 H new ATOM 0 HH TYR A 496 5.819 -3.915 5.752 1.00 15.00 H new ATOM 346 N ASP A 497 1.755 -3.420 0.838 1.00 15.00 N ATOM 347 CA ASP A 497 1.359 -4.798 1.162 1.00 15.00 C ATOM 348 C ASP A 497 2.346 -5.359 2.190 1.00 15.00 C ATOM 349 O ASP A 497 3.529 -5.042 2.125 1.00 15.00 O ATOM 350 CB ASP A 497 1.459 -5.651 -0.102 1.00 15.00 C ATOM 351 CG ASP A 497 1.033 -7.082 0.124 1.00 15.00 C ATOM 352 OD1 ASP A 497 1.882 -7.895 0.525 1.00 15.00 O ATOM 353 OD2 ASP A 497 -0.151 -7.399 -0.109 1.00 15.00 O ATOM 0 H ASP A 497 2.403 -3.362 0.053 1.00 15.00 H new ATOM 0 HA ASP A 497 0.342 -4.811 1.553 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.838 -5.211 -0.882 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.487 -5.635 -0.465 1.00 15.00 H new ATOM 358 N HIS A 498 1.893 -6.197 3.119 1.00 15.00 N ATOM 359 CA HIS A 498 2.770 -6.669 4.196 1.00 15.00 C ATOM 360 C HIS A 498 3.217 -8.112 3.977 1.00 15.00 C ATOM 361 O HIS A 498 4.216 -8.546 4.548 1.00 15.00 O ATOM 362 CB HIS A 498 2.092 -6.547 5.570 1.00 15.00 C ATOM 363 CG HIS A 498 1.678 -5.151 5.939 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.520 -4.148 5.016 1.00 15.00 N ATOM 365 CD2 HIS A 498 1.326 -4.609 7.129 1.00 15.00 C ATOM 366 CE1 HIS A 498 1.082 -3.069 5.603 1.00 15.00 C ATOM 367 NE2 HIS A 498 0.954 -3.311 6.892 1.00 15.00 N ATOM 0 H HIS A 498 0.941 -6.560 3.152 1.00 15.00 H new ATOM 0 HA HIS A 498 3.651 -6.027 4.177 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.211 -7.189 5.585 1.00 15.00 H new ATOM 0 HB3 HIS A 498 2.774 -6.924 6.332 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.336 -5.107 8.087 1.00 15.00 H new ATOM 0 HE1 HIS A 498 0.861 -2.132 5.114 1.00 15.00 H new ATOM 0 HE2 HIS A 498 0.632 -2.645 7.595 1.00 15.00 H new ATOM 376 N ASN A 499 2.488 -8.861 3.158 1.00 15.00 N ATOM 377 CA ASN A 499 2.841 -10.258 2.915 1.00 15.00 C ATOM 378 C ASN A 499 3.871 -10.356 1.800 1.00 15.00 C ATOM 379 O ASN A 499 4.488 -11.401 1.593 1.00 15.00 O ATOM 380 CB ASN A 499 1.605 -11.112 2.592 1.00 15.00 C ATOM 381 CG ASN A 499 0.782 -10.579 1.433 1.00 15.00 C ATOM 382 OD1 ASN A 499 -0.147 -9.794 1.629 1.00 15.00 O ATOM 383 ND2 ASN A 499 1.103 -11.010 0.224 1.00 15.00 N ATOM 0 H ASN A 499 1.662 -8.533 2.657 1.00 15.00 H new ATOM 0 HA ASN A 499 3.276 -10.655 3.832 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.926 -12.128 2.361 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.973 -11.171 3.478 1.00 15.00 H new ATOM 0 HD21 ASN A 499 0.574 -10.692 -0.588 1.00 15.00 H new ATOM 0 HD22 ASN A 499 1.880 -11.660 0.104 1.00 15.00 H new ATOM 390 N THR A 500 4.030 -9.265 1.073 1.00 15.00 N ATOM 391 CA THR A 500 5.069 -9.150 0.065 1.00 15.00 C ATOM 392 C THR A 500 6.010 -7.997 0.419 1.00 15.00 C ATOM 393 O THR A 500 7.111 -7.885 -0.121 1.00 15.00 O ATOM 394 CB THR A 500 4.448 -8.890 -1.320 1.00 15.00 C ATOM 395 OG1 THR A 500 3.207 -9.605 -1.432 1.00 15.00 O ATOM 396 CG2 THR A 500 5.393 -9.322 -2.434 1.00 15.00 C ATOM 0 H THR A 500 3.444 -8.435 1.164 1.00 15.00 H new ATOM 0 HA THR A 500 5.628 -10.086 0.036 1.00 15.00 H new ATOM 0 HB THR A 500 4.268 -7.820 -1.422 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.518 -9.148 -0.906 1.00 15.00 H new ATOM 0 HG21 THR A 500 4.929 -9.127 -3.401 1.00 15.00 H new ATOM 0 HG22 THR A 500 6.325 -8.761 -2.359 1.00 15.00 H new ATOM 0 HG23 THR A 500 5.603 -10.388 -2.341 1.00 15.00 H new ATOM 404 N LYS A 501 5.558 -7.154 1.350 1.00 15.00 N ATOM 405 CA LYS A 501 6.267 -5.928 1.723 1.00 15.00 C ATOM 406 C LYS A 501 6.580 -5.092 0.492 1.00 15.00 C ATOM 407 O LYS A 501 7.711 -4.655 0.290 1.00 15.00 O ATOM 408 CB LYS A 501 7.555 -6.221 2.491 1.00 15.00 C ATOM 409 CG LYS A 501 7.340 -6.935 3.819 1.00 15.00 C ATOM 410 CD LYS A 501 8.639 -7.057 4.608 1.00 15.00 C ATOM 411 CE LYS A 501 9.661 -7.914 3.879 1.00 15.00 C ATOM 412 NZ LYS A 501 9.261 -9.346 3.841 1.00 15.00 N ATOM 0 H LYS A 501 4.691 -7.302 1.866 1.00 15.00 H new ATOM 0 HA LYS A 501 5.605 -5.366 2.382 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.208 -6.830 1.865 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.076 -5.282 2.676 1.00 15.00 H new ATOM 0 HG2 LYS A 501 6.604 -6.390 4.411 1.00 15.00 H new ATOM 0 HG3 LYS A 501 6.930 -7.928 3.636 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.054 -6.064 4.781 1.00 15.00 H new ATOM 0 HD3 LYS A 501 8.431 -7.491 5.586 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.784 -7.545 2.861 1.00 15.00 H new ATOM 0 HE3 LYS A 501 10.629 -7.821 4.371 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 10.036 -9.913 3.442 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 9.053 -9.674 4.806 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.413 -9.454 3.249 1.00 15.00 H new ATOM 426 N THR A 502 5.570 -4.866 -0.324 1.00 15.00 N ATOM 427 CA THR A 502 5.751 -4.102 -1.538 1.00 15.00 C ATOM 428 C THR A 502 4.956 -2.799 -1.473 1.00 15.00 C ATOM 429 O THR A 502 3.775 -2.786 -1.117 1.00 15.00 O ATOM 430 CB THR A 502 5.360 -4.925 -2.792 1.00 15.00 C ATOM 431 OG1 THR A 502 5.601 -4.169 -3.981 1.00 15.00 O ATOM 432 CG2 THR A 502 3.901 -5.358 -2.750 1.00 15.00 C ATOM 0 H THR A 502 4.619 -5.200 -0.168 1.00 15.00 H new ATOM 0 HA THR A 502 6.810 -3.858 -1.624 1.00 15.00 H new ATOM 0 HB THR A 502 5.981 -5.821 -2.798 1.00 15.00 H new ATOM 0 HG1 THR A 502 5.351 -4.702 -4.764 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.666 -5.932 -3.646 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.730 -5.975 -1.868 1.00 15.00 H new ATOM 0 HG23 THR A 502 3.261 -4.477 -2.706 1.00 15.00 H new ATOM 440 N THR A 503 5.632 -1.703 -1.765 1.00 15.00 N ATOM 441 CA THR A 503 4.998 -0.402 -1.830 1.00 15.00 C ATOM 442 C THR A 503 4.500 -0.145 -3.247 1.00 15.00 C ATOM 443 O THR A 503 5.268 -0.238 -4.204 1.00 15.00 O ATOM 444 CB THR A 503 5.988 0.705 -1.419 1.00 15.00 C ATOM 445 OG1 THR A 503 7.279 0.435 -1.980 1.00 15.00 O ATOM 446 CG2 THR A 503 6.106 0.817 0.091 1.00 15.00 C ATOM 0 H THR A 503 6.633 -1.691 -1.963 1.00 15.00 H new ATOM 0 HA THR A 503 4.156 -0.390 -1.138 1.00 15.00 H new ATOM 0 HB THR A 503 5.606 1.652 -1.801 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.904 1.142 -1.717 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.813 1.608 0.343 1.00 15.00 H new ATOM 0 HG22 THR A 503 5.130 1.053 0.516 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.460 -0.130 0.500 1.00 15.00 H new ATOM 454 N THR A 504 3.221 0.154 -3.389 1.00 15.00 N ATOM 455 CA THR A 504 2.644 0.366 -4.701 1.00 15.00 C ATOM 456 C THR A 504 1.741 1.587 -4.692 1.00 15.00 C ATOM 457 O THR A 504 1.182 1.939 -3.664 1.00 15.00 O ATOM 458 CB THR A 504 1.843 -0.875 -5.161 1.00 15.00 C ATOM 459 OG1 THR A 504 1.610 -0.817 -6.575 1.00 15.00 O ATOM 460 CG2 THR A 504 0.506 -0.987 -4.439 1.00 15.00 C ATOM 0 H THR A 504 2.566 0.255 -2.614 1.00 15.00 H new ATOM 0 HA THR A 504 3.461 0.531 -5.403 1.00 15.00 H new ATOM 0 HB THR A 504 2.440 -1.754 -4.916 1.00 15.00 H new ATOM 0 HG1 THR A 504 1.104 -1.608 -6.856 1.00 15.00 H new ATOM 0 HG21 THR A 504 -0.025 -1.872 -4.791 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.678 -1.070 -3.366 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.093 -0.099 -4.643 1.00 15.00 H new ATOM 468 N TRP A 505 1.633 2.260 -5.821 1.00 15.00 N ATOM 469 CA TRP A 505 0.670 3.339 -5.942 1.00 15.00 C ATOM 470 C TRP A 505 -0.574 2.809 -6.642 1.00 15.00 C ATOM 471 O TRP A 505 -1.590 3.499 -6.760 1.00 15.00 O ATOM 472 CB TRP A 505 1.227 4.509 -6.742 1.00 15.00 C ATOM 473 CG TRP A 505 2.663 4.844 -6.481 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.716 4.556 -7.305 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.214 5.551 -5.357 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.878 5.053 -6.780 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.600 5.665 -5.592 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.691 6.110 -4.175 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.454 6.308 -4.711 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.547 6.742 -3.316 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.910 6.841 -3.584 1.00 15.00 C ATOM 0 H TRP A 505 2.191 2.083 -6.657 1.00 15.00 H new ATOM 0 HA TRP A 505 0.434 3.698 -4.940 1.00 15.00 H new ATOM 0 HB2 TRP A 505 1.111 4.289 -7.803 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.622 5.391 -6.531 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.641 4.014 -8.236 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.801 4.978 -7.207 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.637 6.041 -3.952 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.513 6.383 -4.912 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.156 7.175 -2.407 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.550 7.353 -2.881 1.00 15.00 H new ATOM 492 N GLU A 506 -0.469 1.577 -7.115 1.00 15.00 N ATOM 493 CA GLU A 506 -1.537 0.940 -7.860 1.00 15.00 C ATOM 494 C GLU A 506 -2.541 0.327 -6.900 1.00 15.00 C ATOM 495 O GLU A 506 -2.175 -0.122 -5.815 1.00 15.00 O ATOM 496 CB GLU A 506 -0.957 -0.132 -8.782 1.00 15.00 C ATOM 497 CG GLU A 506 0.113 0.397 -9.729 1.00 15.00 C ATOM 498 CD GLU A 506 -0.406 1.476 -10.658 1.00 15.00 C ATOM 499 OE1 GLU A 506 -0.460 2.654 -10.248 1.00 15.00 O ATOM 500 OE2 GLU A 506 -0.754 1.150 -11.812 1.00 15.00 O ATOM 0 H GLU A 506 0.359 0.994 -6.992 1.00 15.00 H new ATOM 0 HA GLU A 506 -2.047 1.686 -8.469 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.531 -0.931 -8.175 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.764 -0.572 -9.368 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.943 0.795 -9.146 1.00 15.00 H new ATOM 0 HG3 GLU A 506 0.507 -0.428 -10.322 1.00 15.00 H new ATOM 507 N ASP A 507 -3.796 0.288 -7.315 1.00 15.00 N ATOM 508 CA ASP A 507 -4.872 -0.174 -6.451 1.00 15.00 C ATOM 509 C ASP A 507 -4.705 -1.648 -6.077 1.00 15.00 C ATOM 510 O ASP A 507 -4.774 -2.531 -6.912 1.00 15.00 O ATOM 511 CB ASP A 507 -6.217 0.074 -7.122 1.00 15.00 C ATOM 512 CG ASP A 507 -7.395 -0.293 -6.242 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.711 -1.492 -6.127 1.00 15.00 O ATOM 514 OD2 ASP A 507 -8.024 0.623 -5.671 1.00 15.00 O ATOM 0 H ASP A 507 -4.097 0.571 -8.248 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.832 0.395 -5.522 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.291 1.126 -7.398 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.267 -0.502 -8.046 1.00 15.00 H new ATOM 519 N PRO A 508 -4.523 -1.902 -4.782 1.00 15.00 N ATOM 520 CA PRO A 508 -4.215 -3.214 -4.195 1.00 15.00 C ATOM 521 C PRO A 508 -5.421 -4.063 -4.044 1.00 15.00 C ATOM 522 O PRO A 508 -5.346 -5.229 -3.684 1.00 15.00 O ATOM 523 CB PRO A 508 -3.646 -2.889 -2.828 1.00 15.00 C ATOM 524 CG PRO A 508 -3.720 -1.412 -2.693 1.00 15.00 C ATOM 525 CD PRO A 508 -4.646 -0.899 -3.739 1.00 15.00 C ATOM 0 HA PRO A 508 -3.533 -3.777 -4.832 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.217 -3.382 -2.041 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.617 -3.237 -2.741 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -4.077 -1.138 -1.700 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -2.731 -0.969 -2.809 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.669 -0.818 -3.372 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.354 0.091 -4.090 1.00 15.00 H new ATOM 533 N ARG A 509 -6.538 -3.455 -4.271 1.00 15.00 N ATOM 534 CA ARG A 509 -7.782 -4.066 -4.043 1.00 15.00 C ATOM 535 C ARG A 509 -7.992 -4.924 -5.244 1.00 15.00 C ATOM 536 O ARG A 509 -8.910 -5.738 -5.334 1.00 15.00 O ATOM 537 CB ARG A 509 -8.814 -2.984 -3.792 1.00 15.00 C ATOM 538 CG ARG A 509 -8.249 -1.958 -2.812 1.00 15.00 C ATOM 539 CD ARG A 509 -9.278 -0.928 -2.394 1.00 15.00 C ATOM 540 NE ARG A 509 -9.533 0.044 -3.456 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.483 0.971 -3.410 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.337 1.008 -2.393 1.00 15.00 N ATOM 543 NH2 ARG A 509 -10.584 1.854 -4.397 1.00 15.00 N ATOM 0 H ARG A 509 -6.600 -2.501 -4.627 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.853 -4.698 -3.158 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.082 -2.498 -4.730 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.726 -3.423 -3.389 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.875 -2.473 -1.927 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.399 -1.453 -3.270 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.209 -1.430 -2.129 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.931 -0.408 -1.501 1.00 15.00 H new ATOM 0 HE ARG A 509 -8.942 0.008 -4.287 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.265 0.322 -1.642 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.064 1.722 -2.364 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -9.935 1.817 -5.183 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -11.311 2.569 -4.369 1.00 15.00 H new ATOM 557 N LEU A 510 -7.081 -4.701 -6.194 1.00 15.00 N ATOM 558 CA LEU A 510 -6.997 -5.547 -7.330 1.00 15.00 C ATOM 559 C LEU A 510 -6.571 -6.954 -6.875 1.00 15.00 C ATOM 560 O LEU A 510 -6.849 -7.959 -7.523 1.00 15.00 O ATOM 561 CB LEU A 510 -6.025 -5.010 -8.415 1.00 15.00 C ATOM 562 CG LEU A 510 -4.511 -5.253 -8.185 1.00 15.00 C ATOM 563 CD1 LEU A 510 -4.091 -6.660 -8.595 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.672 -4.239 -8.948 1.00 15.00 C ATOM 0 H LEU A 510 -6.404 -3.938 -6.177 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.983 -5.580 -7.794 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.299 -5.461 -9.369 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.185 -3.936 -8.512 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.337 -5.137 -7.115 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -3.023 -6.787 -8.417 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.646 -7.391 -8.008 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.303 -6.809 -9.654 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.615 -4.433 -8.768 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.880 -4.323 -10.015 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -3.919 -3.233 -8.608 1.00 15.00 H new ATOM 576 N LYS A 511 -5.862 -6.967 -5.741 1.00 15.00 N ATOM 577 CA LYS A 511 -5.240 -8.158 -5.155 1.00 15.00 C ATOM 578 C LYS A 511 -6.260 -9.013 -4.409 1.00 15.00 C ATOM 579 O LYS A 511 -5.982 -10.143 -4.025 1.00 15.00 O ATOM 580 CB LYS A 511 -4.067 -7.701 -4.261 1.00 15.00 C ATOM 581 CG LYS A 511 -3.649 -8.635 -3.133 1.00 15.00 C ATOM 582 CD LYS A 511 -4.372 -8.294 -1.834 1.00 15.00 C ATOM 583 CE LYS A 511 -3.772 -9.026 -0.634 1.00 15.00 C ATOM 584 NZ LYS A 511 -2.286 -8.896 -0.543 1.00 15.00 N ATOM 0 H LYS A 511 -5.701 -6.124 -5.190 1.00 15.00 H new ATOM 0 HA LYS A 511 -4.848 -8.803 -5.941 1.00 15.00 H new ATOM 0 HB2 LYS A 511 -3.200 -7.533 -4.900 1.00 15.00 H new ATOM 0 HB3 LYS A 511 -4.331 -6.738 -3.823 1.00 15.00 H new ATOM 0 HG2 LYS A 511 -3.866 -9.666 -3.413 1.00 15.00 H new ATOM 0 HG3 LYS A 511 -2.572 -8.566 -2.981 1.00 15.00 H new ATOM 0 HD2 LYS A 511 -4.323 -7.218 -1.664 1.00 15.00 H new ATOM 0 HD3 LYS A 511 -5.426 -8.554 -1.927 1.00 15.00 H new ATOM 0 HE2 LYS A 511 -4.220 -8.638 0.281 1.00 15.00 H new ATOM 0 HE3 LYS A 511 -4.034 -10.082 -0.694 1.00 15.00 H new ATOM 0 HZ1 LYS A 511 -1.950 -9.356 0.327 1.00 15.00 H new ATOM 0 HZ2 LYS A 511 -1.846 -9.352 -1.368 1.00 15.00 H new ATOM 0 HZ3 LYS A 511 -2.026 -7.889 -0.524 1.00 15.00 H new ATOM 598 N PHE A 512 -7.457 -8.462 -4.245 1.00 15.00 N ATOM 599 CA PHE A 512 -8.575 -9.130 -3.528 1.00 15.00 C ATOM 600 C PHE A 512 -8.794 -10.649 -3.747 1.00 15.00 C ATOM 601 O PHE A 512 -9.143 -11.381 -2.822 1.00 15.00 O ATOM 602 CB PHE A 512 -9.879 -8.354 -3.720 1.00 15.00 C ATOM 603 CG PHE A 512 -10.084 -7.303 -2.672 1.00 15.00 C ATOM 604 CD1 PHE A 512 -9.107 -6.349 -2.411 1.00 15.00 C ATOM 605 CD2 PHE A 512 -11.250 -7.286 -1.924 1.00 15.00 C ATOM 606 CE1 PHE A 512 -9.307 -5.405 -1.429 1.00 15.00 C ATOM 607 CE2 PHE A 512 -11.446 -6.341 -0.937 1.00 15.00 C ATOM 608 CZ PHE A 512 -10.472 -5.399 -0.688 1.00 15.00 C ATOM 0 H PHE A 512 -7.696 -7.537 -4.601 1.00 15.00 H new ATOM 0 HA PHE A 512 -8.240 -9.098 -2.491 1.00 15.00 H new ATOM 0 HB2 PHE A 512 -9.877 -7.885 -4.704 1.00 15.00 H new ATOM 0 HB3 PHE A 512 -10.718 -9.050 -3.700 1.00 15.00 H new ATOM 0 HD1 PHE A 512 -8.189 -6.348 -2.980 1.00 15.00 H new ATOM 0 HD2 PHE A 512 -12.016 -8.022 -2.116 1.00 15.00 H new ATOM 0 HE1 PHE A 512 -8.546 -4.663 -1.237 1.00 15.00 H new ATOM 0 HE2 PHE A 512 -12.360 -6.340 -0.362 1.00 15.00 H new ATOM 0 HZ PHE A 512 -10.619 -4.658 0.084 1.00 15.00 H new ATOM 618 N PRO A 513 -8.654 -11.064 -4.967 1.00 15.00 N ATOM 619 CA PRO A 513 -8.644 -12.445 -5.471 1.00 15.00 C ATOM 620 C PRO A 513 -7.836 -13.452 -4.625 1.00 15.00 C ATOM 621 O PRO A 513 -7.830 -14.641 -4.948 1.00 15.00 O ATOM 622 CB PRO A 513 -8.060 -12.268 -6.870 1.00 15.00 C ATOM 623 CG PRO A 513 -8.545 -10.914 -7.271 1.00 15.00 C ATOM 624 CD PRO A 513 -8.511 -10.111 -6.001 1.00 15.00 C ATOM 0 HA PRO A 513 -9.638 -12.891 -5.443 1.00 15.00 H new ATOM 0 HB2 PRO A 513 -6.971 -12.320 -6.862 1.00 15.00 H new ATOM 0 HB3 PRO A 513 -8.411 -13.041 -7.554 1.00 15.00 H new ATOM 0 HG2 PRO A 513 -7.906 -10.474 -8.036 1.00 15.00 H new ATOM 0 HG3 PRO A 513 -9.552 -10.960 -7.685 1.00 15.00 H new ATOM 0 HD2 PRO A 513 -7.575 -9.561 -5.906 1.00 15.00 H new ATOM 0 HD3 PRO A 513 -9.316 -9.376 -5.976 1.00 15.00 H new ATOM 632 N VAL A 514 -7.072 -12.959 -3.626 1.00 15.00 N ATOM 633 CA VAL A 514 -6.205 -13.791 -2.750 1.00 15.00 C ATOM 634 C VAL A 514 -6.847 -15.066 -2.216 1.00 15.00 C ATOM 635 O VAL A 514 -6.168 -15.916 -1.640 1.00 15.00 O ATOM 636 CB VAL A 514 -5.657 -13.015 -1.524 1.00 15.00 C ATOM 637 CG1 VAL A 514 -4.846 -11.798 -1.930 1.00 15.00 C ATOM 638 CG2 VAL A 514 -6.788 -12.609 -0.591 1.00 15.00 C ATOM 0 H VAL A 514 -7.036 -11.965 -3.400 1.00 15.00 H new ATOM 0 HA VAL A 514 -5.401 -14.067 -3.432 1.00 15.00 H new ATOM 0 HB VAL A 514 -4.987 -13.692 -0.994 1.00 15.00 H new ATOM 0 HG11 VAL A 514 -4.484 -11.288 -1.037 1.00 15.00 H new ATOM 0 HG12 VAL A 514 -3.997 -12.112 -2.538 1.00 15.00 H new ATOM 0 HG13 VAL A 514 -5.473 -11.119 -2.507 1.00 15.00 H new ATOM 0 HG21 VAL A 514 -6.379 -12.066 0.261 1.00 15.00 H new ATOM 0 HG22 VAL A 514 -7.489 -11.969 -1.126 1.00 15.00 H new ATOM 0 HG23 VAL A 514 -7.307 -13.501 -0.239 1.00 15.00 H new ATOM 648 N HIS A 515 -8.123 -15.163 -2.430 1.00 15.00 N ATOM 649 CA HIS A 515 -8.960 -16.310 -2.029 1.00 15.00 C ATOM 650 C HIS A 515 -8.581 -16.864 -0.653 1.00 15.00 C ATOM 651 O HIS A 515 -7.856 -17.877 -0.585 1.00 15.00 O ATOM 652 CB HIS A 515 -8.933 -17.427 -3.101 1.00 15.00 C ATOM 653 CG HIS A 515 -7.558 -17.839 -3.558 1.00 15.00 C ATOM 654 ND1 HIS A 515 -6.834 -17.120 -4.482 1.00 15.00 N ATOM 655 CD2 HIS A 515 -6.762 -18.874 -3.190 1.00 15.00 C ATOM 656 CE1 HIS A 515 -5.658 -17.686 -4.659 1.00 15.00 C ATOM 657 NE2 HIS A 515 -5.586 -18.755 -3.888 1.00 15.00 N ATOM 658 OXT HIS A 515 -9.021 -16.289 0.361 1.00 15.00 O ATOM 0 H HIS A 515 -8.653 -14.432 -2.904 1.00 15.00 H new ATOM 0 HA HIS A 515 -9.980 -15.935 -1.949 1.00 15.00 H new ATOM 0 HB2 HIS A 515 -9.445 -18.303 -2.704 1.00 15.00 H new ATOM 0 HB3 HIS A 515 -9.502 -17.091 -3.968 1.00 15.00 H new ATOM 0 HD1 HIS A 515 -7.159 -16.278 -4.957 1.00 15.00 H new ATOM 0 HD2 HIS A 515 -7.008 -19.649 -2.479 1.00 15.00 H new ATOM 0 HE1 HIS A 515 -4.883 -17.334 -5.324 1.00 15.00 H new TER 667 HIS A 515 ATOM 668 N ALA B 202 7.709 -4.828 10.509 1.00 15.00 N ATOM 669 CA ALA B 202 8.339 -3.544 10.131 1.00 15.00 C ATOM 670 C ALA B 202 7.442 -2.381 10.532 1.00 15.00 C ATOM 671 O ALA B 202 6.369 -2.584 11.106 1.00 15.00 O ATOM 672 CB ALA B 202 8.618 -3.513 8.635 1.00 15.00 C ATOM 0 HA ALA B 202 9.287 -3.449 10.660 1.00 15.00 H new ATOM 0 HB1 ALA B 202 9.082 -2.562 8.371 1.00 15.00 H new ATOM 0 HB2 ALA B 202 9.291 -4.330 8.373 1.00 15.00 H new ATOM 0 HB3 ALA B 202 7.682 -3.624 8.088 1.00 15.00 H new ATOM 680 N GLY B 203 7.887 -1.167 10.240 1.00 15.00 N ATOM 681 CA GLY B 203 7.111 0.010 10.573 1.00 15.00 C ATOM 682 C GLY B 203 6.041 0.307 9.542 1.00 15.00 C ATOM 683 O GLY B 203 5.520 -0.603 8.893 1.00 15.00 O ATOM 0 H GLY B 203 8.775 -0.976 9.777 1.00 15.00 H new ATOM 0 HA2 GLY B 203 6.644 -0.130 11.548 1.00 15.00 H new ATOM 0 HA3 GLY B 203 7.777 0.869 10.659 1.00 15.00 H new HETATM 687 N SEP B 204 5.715 1.577 9.389 1.00 15.00 N HETATM 688 CA SEP B 204 4.691 1.997 8.453 1.00 15.00 C HETATM 689 CB SEP B 204 3.869 3.139 9.061 1.00 15.00 C HETATM 690 OG SEP B 204 4.489 3.669 10.222 1.00 15.00 O HETATM 691 C SEP B 204 5.313 2.415 7.119 1.00 15.00 C HETATM 692 O SEP B 204 6.446 2.899 7.065 1.00 15.00 O HETATM 693 P SEP B 204 5.726 4.717 10.208 1.00 15.00 P HETATM 694 O1P SEP B 204 6.968 3.943 10.233 1.00 15.00 O HETATM 695 O2P SEP B 204 5.639 5.546 11.412 1.00 15.00 O HETATM 696 O3P SEP B 204 5.652 5.552 9.006 1.00 15.00 O HETATM 0 HB3 SEP B 204 3.743 3.930 8.322 1.00 15.00 H new HETATM 0 HB2 SEP B 204 2.873 2.776 9.313 1.00 15.00 H new HETATM 0 HA SEP B 204 4.026 1.156 8.256 1.00 15.00 H new HETATM 0 H SEP B 204 5.796 2.037 10.296 1.00 15.00 H new ATOM 701 N PRO B 205 4.560 2.224 6.027 1.00 15.00 N ATOM 702 CA PRO B 205 5.004 2.584 4.676 1.00 15.00 C ATOM 703 C PRO B 205 5.325 4.072 4.521 1.00 15.00 C ATOM 704 O PRO B 205 4.431 4.910 4.550 1.00 15.00 O ATOM 705 CB PRO B 205 3.797 2.264 3.788 1.00 15.00 C ATOM 706 CG PRO B 205 2.864 1.428 4.600 1.00 15.00 C ATOM 707 CD PRO B 205 3.249 1.561 6.041 1.00 15.00 C ATOM 0 HA PRO B 205 5.918 2.046 4.427 1.00 15.00 H new ATOM 0 HB2 PRO B 205 3.307 3.180 3.460 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.110 1.731 2.890 1.00 15.00 H new ATOM 0 HG2 PRO B 205 1.834 1.753 4.450 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.918 0.385 4.287 1.00 15.00 H new ATOM 0 HD2 PRO B 205 2.516 2.149 6.592 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.305 0.586 6.526 1.00 15.00 H new ATOM 715 N ASN B 206 6.614 4.395 4.447 1.00 15.00 N ATOM 716 CA ASN B 206 7.048 5.749 4.098 1.00 15.00 C ATOM 717 C ASN B 206 7.913 5.768 2.835 1.00 15.00 C ATOM 718 O ASN B 206 8.136 6.817 2.232 1.00 15.00 O ATOM 719 CB ASN B 206 7.750 6.412 5.289 1.00 15.00 C ATOM 720 CG ASN B 206 8.818 7.421 4.903 1.00 15.00 C ATOM 721 OD1 ASN B 206 8.534 8.602 4.710 1.00 15.00 O ATOM 722 ND2 ASN B 206 10.059 6.967 4.815 1.00 15.00 N ATOM 0 H ASN B 206 7.376 3.740 4.623 1.00 15.00 H new ATOM 0 HA ASN B 206 6.160 6.336 3.865 1.00 15.00 H new ATOM 0 HB2 ASN B 206 7.002 6.910 5.905 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.205 5.637 5.905 1.00 15.00 H new ATOM 0 HD21 ASN B 206 10.820 7.604 4.580 1.00 15.00 H new ATOM 0 HD22 ASN B 206 10.254 5.980 4.982 1.00 15.00 H new ATOM 729 N LEU B 207 8.394 4.601 2.430 1.00 15.00 N ATOM 730 CA LEU B 207 9.279 4.506 1.274 1.00 15.00 C ATOM 731 C LEU B 207 8.491 4.612 -0.030 1.00 15.00 C ATOM 732 O LEU B 207 7.681 3.740 -0.355 1.00 15.00 O ATOM 733 CB LEU B 207 10.103 3.205 1.305 1.00 15.00 C ATOM 734 CG LEU B 207 9.315 1.889 1.402 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.172 0.727 0.922 1.00 15.00 C ATOM 736 CD2 LEU B 207 8.855 1.635 2.833 1.00 15.00 C ATOM 0 H LEU B 207 8.188 3.710 2.881 1.00 15.00 H new ATOM 0 HA LEU B 207 9.973 5.345 1.323 1.00 15.00 H new ATOM 0 HB2 LEU B 207 10.715 3.169 0.404 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.786 3.255 2.153 1.00 15.00 H new ATOM 0 HG LEU B 207 8.435 1.973 0.765 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.603 -0.200 0.996 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.462 0.893 -0.115 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.066 0.654 1.542 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.300 0.698 2.876 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.723 1.572 3.489 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.212 2.453 3.159 1.00 15.00 H new HETATM 748 N SEP B 208 8.723 5.696 -0.759 1.00 15.00 N HETATM 749 CA SEP B 208 8.067 5.922 -2.038 1.00 15.00 C HETATM 750 CB SEP B 208 8.070 7.418 -2.373 1.00 15.00 C HETATM 751 OG SEP B 208 7.593 8.185 -1.299 1.00 15.00 O HETATM 752 C SEP B 208 8.769 5.137 -3.148 1.00 15.00 C HETATM 753 O SEP B 208 9.917 5.431 -3.494 1.00 15.00 O HETATM 754 P SEP B 208 8.357 9.496 -0.762 1.00 15.00 P HETATM 755 O1P SEP B 208 7.540 10.134 0.272 1.00 15.00 O HETATM 756 O2P SEP B 208 8.565 10.396 -1.898 1.00 15.00 O HETATM 757 O3P SEP B 208 9.648 9.090 -0.231 1.00 15.00 O HETATM 0 HB3 SEP B 208 9.082 7.734 -2.626 1.00 15.00 H new HETATM 0 HB2 SEP B 208 7.451 7.597 -3.252 1.00 15.00 H new HETATM 0 HA SEP B 208 7.037 5.574 -1.965 1.00 15.00 H new HETATM 0 H SEP B 208 9.100 6.484 -0.233 1.00 15.00 H new ATOM 762 N PRO B 209 8.100 4.113 -3.708 1.00 15.00 N ATOM 763 CA PRO B 209 8.658 3.326 -4.806 1.00 15.00 C ATOM 764 C PRO B 209 8.727 4.123 -6.104 1.00 15.00 C ATOM 765 O PRO B 209 7.718 4.652 -6.576 1.00 15.00 O ATOM 766 CB PRO B 209 7.681 2.159 -4.954 1.00 15.00 C ATOM 767 CG PRO B 209 6.399 2.646 -4.375 1.00 15.00 C ATOM 768 CD PRO B 209 6.756 3.649 -3.315 1.00 15.00 C ATOM 0 HA PRO B 209 9.682 3.013 -4.599 1.00 15.00 H new ATOM 0 HB2 PRO B 209 7.559 1.878 -6.000 1.00 15.00 H new ATOM 0 HB3 PRO B 209 8.041 1.275 -4.427 1.00 15.00 H new ATOM 0 HG2 PRO B 209 5.776 3.102 -5.144 1.00 15.00 H new ATOM 0 HG3 PRO B 209 5.828 1.820 -3.950 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.041 4.472 -3.286 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.763 3.197 -2.323 1.00 15.00 H new ATOM 776 N ASN B 210 9.920 4.214 -6.670 1.00 15.00 N ATOM 777 CA ASN B 210 10.117 4.924 -7.924 1.00 15.00 C ATOM 778 C ASN B 210 9.757 4.024 -9.106 1.00 15.00 C ATOM 779 O ASN B 210 10.384 2.987 -9.327 1.00 15.00 O ATOM 780 CB ASN B 210 11.564 5.435 -8.040 1.00 15.00 C ATOM 781 CG ASN B 210 12.601 4.374 -7.708 1.00 15.00 C ATOM 782 OD1 ASN B 210 13.029 3.613 -8.573 1.00 15.00 O ATOM 783 ND2 ASN B 210 13.029 4.331 -6.452 1.00 15.00 N ATOM 0 H ASN B 210 10.769 3.804 -6.280 1.00 15.00 H new ATOM 0 HA ASN B 210 9.455 5.790 -7.940 1.00 15.00 H new ATOM 0 HB2 ASN B 210 11.735 5.796 -9.054 1.00 15.00 H new ATOM 0 HB3 ASN B 210 11.697 6.286 -7.372 1.00 15.00 H new ATOM 0 HD21 ASN B 210 13.737 3.650 -6.177 1.00 15.00 H new ATOM 0 HD22 ASN B 210 12.650 4.979 -5.762 1.00 15.00 H new ATOM 790 N PRO B 211 8.706 4.397 -9.853 1.00 15.00 N ATOM 791 CA PRO B 211 8.238 3.644 -11.012 1.00 15.00 C ATOM 792 C PRO B 211 9.111 3.878 -12.239 1.00 15.00 C ATOM 793 O PRO B 211 9.975 3.022 -12.525 1.00 15.00 O ATOM 794 CB PRO B 211 6.814 4.176 -11.253 1.00 15.00 C ATOM 795 CG PRO B 211 6.538 5.132 -10.135 1.00 15.00 C ATOM 796 CD PRO B 211 7.877 5.579 -9.625 1.00 15.00 C ATOM 797 OXT PRO B 211 8.941 4.918 -12.908 1.00 15.00 O ATOM 0 HA PRO B 211 8.271 2.569 -10.835 1.00 15.00 H new ATOM 0 HB2 PRO B 211 6.742 4.674 -12.220 1.00 15.00 H new ATOM 0 HB3 PRO B 211 6.089 3.362 -11.259 1.00 15.00 H new ATOM 0 HG2 PRO B 211 5.952 5.981 -10.485 1.00 15.00 H new ATOM 0 HG3 PRO B 211 5.962 4.651 -9.345 1.00 15.00 H new ATOM 0 HD2 PRO B 211 8.250 6.448 -10.167 1.00 15.00 H new ATOM 0 HD3 PRO B 211 7.840 5.853 -8.571 1.00 15.00 H new TER 805 PRO B 211