USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 256 hydrogens (0 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 Set 1.1: A 461 GLN : amide:sc= 0.544 K(o=1.7,f=-5.5) USER MOD Set 1.2: A 464 LYS NZ :NH3+ -178:sc= 1.14 (180deg=-0.0324) USER MOD Set 2.1: A 449 ASN : amide:sc= -0.0188 K(o=-0.019,f=-16!) USER MOD Set 2.2: A 452 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 448 TYR OH : rot -150:sc= 1.17 USER MOD Set 3.2: A 450 ASN : amide:sc= 0.928 K(o=2.1,f=1.5) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 177:sc= 1.16 (180deg=0.95) USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 446 TYR OH : rot 180:sc= -0.0436 USER MOD Single : A 447 TYR OH : rot 180:sc= -1.66! USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot -121:sc= 0.517 USER MOD Single : A 459 LYS NZ :NH3+ 143:sc= 1.25 (180deg=0.489) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 3.607 6.421 -5.421 1.00 15.00 N ATOM 29 CA GLU A 434 4.193 5.099 -5.443 1.00 15.00 C ATOM 30 C GLU A 434 3.470 4.221 -4.434 1.00 15.00 C ATOM 31 O GLU A 434 3.775 4.248 -3.246 1.00 15.00 O ATOM 32 CB GLU A 434 5.682 5.177 -5.100 1.00 15.00 C ATOM 33 CG GLU A 434 6.564 4.184 -5.842 1.00 15.00 C ATOM 34 CD GLU A 434 6.212 2.738 -5.571 1.00 15.00 C ATOM 35 OE1 GLU A 434 6.470 2.260 -4.450 1.00 15.00 O ATOM 36 OE2 GLU A 434 5.700 2.070 -6.493 1.00 15.00 O1- ATOM 0 HA GLU A 434 4.091 4.671 -6.440 1.00 15.00 H new ATOM 0 HB2 GLU A 434 6.037 6.185 -5.313 1.00 15.00 H new ATOM 0 HB3 GLU A 434 5.802 5.017 -4.028 1.00 15.00 H new ATOM 0 HG2 GLU A 434 6.488 4.373 -6.913 1.00 15.00 H new ATOM 0 HG3 GLU A 434 7.603 4.354 -5.562 1.00 15.00 H new ATOM 43 N TRP A 435 2.465 3.505 -4.898 1.00 15.00 N ATOM 44 CA TRP A 435 1.689 2.641 -4.022 1.00 15.00 C ATOM 45 C TRP A 435 1.479 1.275 -4.647 1.00 15.00 C ATOM 46 O TRP A 435 0.744 1.129 -5.624 1.00 15.00 O ATOM 47 CB TRP A 435 0.342 3.281 -3.674 1.00 15.00 C ATOM 48 CG TRP A 435 0.460 4.441 -2.735 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.281 5.763 -3.030 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.791 4.379 -1.343 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.477 6.526 -1.904 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.791 5.700 -0.856 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.084 3.336 -0.461 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.073 6.002 0.473 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.362 3.637 0.858 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.355 4.959 1.315 1.00 15.00 C ATOM 0 H TRP A 435 2.165 3.502 -5.873 1.00 15.00 H new ATOM 0 HA TRP A 435 2.256 2.511 -3.100 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -0.142 3.614 -4.592 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -0.306 2.526 -3.228 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.023 6.151 -4.004 1.00 15.00 H new ATOM 0 HE1 TRP A 435 0.401 7.542 -1.856 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.093 2.312 -0.805 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.070 7.022 0.828 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.589 2.838 1.548 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.576 5.161 2.353 1.00 15.00 H new ATOM 67 N THR A 436 2.145 0.281 -4.090 1.00 15.00 N ATOM 68 CA THR A 436 1.992 -1.085 -4.545 1.00 15.00 C ATOM 69 C THR A 436 1.108 -1.862 -3.575 1.00 15.00 C ATOM 70 O THR A 436 1.314 -1.813 -2.362 1.00 15.00 O ATOM 71 CB THR A 436 3.363 -1.775 -4.657 1.00 15.00 C ATOM 72 OG1 THR A 436 4.259 -0.944 -5.405 1.00 15.00 O ATOM 73 CG2 THR A 436 3.248 -3.131 -5.335 1.00 15.00 C ATOM 0 H THR A 436 2.801 0.397 -3.317 1.00 15.00 H new ATOM 0 HA THR A 436 1.524 -1.069 -5.529 1.00 15.00 H new ATOM 0 HB THR A 436 3.747 -1.929 -3.649 1.00 15.00 H new ATOM 0 HG1 THR A 436 5.132 -1.384 -5.474 1.00 15.00 H new ATOM 0 HG21 THR A 436 4.234 -3.591 -5.398 1.00 15.00 H new ATOM 0 HG22 THR A 436 2.585 -3.773 -4.755 1.00 15.00 H new ATOM 0 HG23 THR A 436 2.843 -3.003 -6.339 1.00 15.00 H new ATOM 81 N GLU A 437 0.119 -2.568 -4.100 1.00 15.00 N ATOM 82 CA GLU A 437 -0.770 -3.354 -3.261 1.00 15.00 C ATOM 83 C GLU A 437 -0.216 -4.760 -3.085 1.00 15.00 C ATOM 84 O GLU A 437 0.138 -5.433 -4.055 1.00 15.00 O ATOM 85 CB GLU A 437 -2.178 -3.411 -3.862 1.00 15.00 C ATOM 86 CG GLU A 437 -2.242 -4.112 -5.202 1.00 15.00 C ATOM 87 CD GLU A 437 -3.653 -4.224 -5.735 1.00 15.00 C ATOM 88 OE1 GLU A 437 -4.370 -5.165 -5.339 1.00 15.00 O ATOM 89 OE2 GLU A 437 -4.050 -3.380 -6.564 1.00 15.00 O1- ATOM 0 H GLU A 437 -0.087 -2.613 -5.098 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.835 -2.873 -2.285 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.841 -3.922 -3.163 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.556 -2.395 -3.975 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -1.628 -3.569 -5.921 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -1.814 -5.110 -5.106 1.00 15.00 H new ATOM 96 N ARG A 438 -0.116 -5.184 -1.847 1.00 15.00 N ATOM 97 CA ARG A 438 0.332 -6.527 -1.540 1.00 15.00 C ATOM 98 C ARG A 438 -0.747 -7.269 -0.769 1.00 15.00 C ATOM 99 O ARG A 438 -1.087 -6.902 0.358 1.00 15.00 O ATOM 100 CB ARG A 438 1.636 -6.489 -0.744 1.00 15.00 C ATOM 101 CG ARG A 438 2.201 -7.865 -0.426 1.00 15.00 C ATOM 102 CD ARG A 438 2.514 -8.652 -1.689 1.00 15.00 C ATOM 103 NE ARG A 438 3.115 -9.951 -1.390 1.00 15.00 N ATOM 104 CZ ARG A 438 3.305 -10.908 -2.295 1.00 15.00 C ATOM 105 NH1 ARG A 438 2.926 -10.724 -3.554 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 3.876 -12.050 -1.941 1.00 15.00 N ATOM 0 H ARG A 438 -0.340 -4.616 -1.030 1.00 15.00 H new ATOM 0 HA ARG A 438 0.522 -7.057 -2.473 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.378 -5.923 -1.307 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.466 -5.952 0.189 1.00 15.00 H new ATOM 0 HG2 ARG A 438 3.108 -7.757 0.169 1.00 15.00 H new ATOM 0 HG3 ARG A 438 1.486 -8.420 0.181 1.00 15.00 H new ATOM 0 HD2 ARG A 438 1.598 -8.799 -2.261 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.192 -8.075 -2.317 1.00 15.00 H new ATOM 0 HE ARG A 438 3.406 -10.135 -0.430 1.00 15.00 H new ATOM 0 HH11 ARG A 438 2.487 -9.846 -3.831 1.00 15.00 H new ATOM 0 HH12 ARG A 438 3.074 -11.461 -4.244 1.00 15.00 H new ATOM 0 HH21 ARG A 438 4.170 -12.195 -0.975 1.00 15.00 H new ATOM 0 HH22 ARG A 438 4.022 -12.784 -2.634 1.00 15.00 H new ATOM 120 N LYS A 439 -1.302 -8.291 -1.391 1.00 15.00 N ATOM 121 CA LYS A 439 -2.357 -9.064 -0.772 1.00 15.00 C ATOM 122 C LYS A 439 -1.797 -10.391 -0.281 1.00 15.00 C ATOM 123 O LYS A 439 -1.461 -11.269 -1.075 1.00 15.00 O ATOM 124 CB LYS A 439 -3.498 -9.292 -1.764 1.00 15.00 C ATOM 125 CG LYS A 439 -4.777 -9.810 -1.127 1.00 15.00 C ATOM 126 CD LYS A 439 -5.881 -9.988 -2.162 1.00 15.00 C ATOM 127 CE LYS A 439 -6.153 -8.700 -2.926 1.00 15.00 C ATOM 128 NZ LYS A 439 -7.201 -8.881 -3.961 1.00 15.00 N1+ ATOM 0 H LYS A 439 -1.039 -8.604 -2.325 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.754 -8.513 0.081 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.713 -8.354 -2.276 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -3.169 -10.002 -2.523 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.580 -10.763 -0.635 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -5.108 -9.115 -0.355 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.599 -10.774 -2.863 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -6.795 -10.316 -1.666 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.463 -7.922 -2.228 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -5.232 -8.356 -3.398 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -7.357 -7.981 -4.459 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -6.895 -9.605 -4.642 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -8.087 -9.184 -3.509 1.00 15.00 H new ATOM 142 N THR A 440 -1.672 -10.524 1.026 1.00 15.00 N ATOM 143 CA THR A 440 -1.081 -11.716 1.604 1.00 15.00 C ATOM 144 C THR A 440 -2.154 -12.768 1.878 1.00 15.00 C ATOM 145 O THR A 440 -3.313 -12.434 2.153 1.00 15.00 O ATOM 146 CB THR A 440 -0.298 -11.387 2.899 1.00 15.00 C ATOM 147 OG1 THR A 440 0.335 -12.566 3.410 1.00 15.00 O ATOM 148 CG2 THR A 440 -1.210 -10.790 3.964 1.00 15.00 C ATOM 0 H THR A 440 -1.971 -9.824 1.705 1.00 15.00 H new ATOM 0 HA THR A 440 -0.373 -12.121 0.881 1.00 15.00 H new ATOM 0 HB THR A 440 0.462 -10.648 2.647 1.00 15.00 H new ATOM 0 HG1 THR A 440 0.828 -12.344 4.227 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.629 -10.571 4.860 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.656 -9.870 3.587 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.998 -11.502 4.208 1.00 15.00 H new ATOM 156 N ALA A 441 -1.755 -14.038 1.805 1.00 15.00 N ATOM 157 CA ALA A 441 -2.671 -15.166 1.977 1.00 15.00 C ATOM 158 C ALA A 441 -3.198 -15.241 3.404 1.00 15.00 C ATOM 159 O ALA A 441 -4.052 -16.069 3.720 1.00 15.00 O ATOM 160 CB ALA A 441 -1.982 -16.468 1.599 1.00 15.00 C ATOM 0 H ALA A 441 -0.790 -14.314 1.625 1.00 15.00 H new ATOM 0 HA ALA A 441 -3.522 -15.010 1.314 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -2.675 -17.298 1.732 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -1.665 -16.423 0.557 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -1.111 -16.617 2.237 1.00 15.00 H new ATOM 166 N ASP A 442 -2.681 -14.376 4.262 1.00 15.00 N ATOM 167 CA ASP A 442 -3.184 -14.248 5.624 1.00 15.00 C ATOM 168 C ASP A 442 -4.545 -13.545 5.616 1.00 15.00 C ATOM 169 O ASP A 442 -5.244 -13.492 6.626 1.00 15.00 O ATOM 170 CB ASP A 442 -2.176 -13.479 6.484 1.00 15.00 C ATOM 171 CG ASP A 442 -2.652 -13.267 7.908 1.00 15.00 C ATOM 172 OD1 ASP A 442 -2.944 -14.263 8.599 1.00 15.00 O ATOM 173 OD2 ASP A 442 -2.726 -12.101 8.342 1.00 15.00 O1- ATOM 0 H ASP A 442 -1.909 -13.748 4.039 1.00 15.00 H new ATOM 0 HA ASP A 442 -3.314 -15.241 6.054 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -1.231 -14.022 6.500 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -1.979 -12.510 6.025 1.00 15.00 H new ATOM 178 N GLY A 443 -4.914 -13.010 4.457 1.00 15.00 N ATOM 179 CA GLY A 443 -6.205 -12.366 4.306 1.00 15.00 C ATOM 180 C GLY A 443 -6.135 -10.873 4.541 1.00 15.00 C ATOM 181 O GLY A 443 -7.091 -10.264 5.019 1.00 15.00 O ATOM 0 H GLY A 443 -4.338 -13.011 3.615 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.588 -12.556 3.303 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.913 -12.809 5.007 1.00 15.00 H new ATOM 185 N LYS A 444 -5.002 -10.278 4.203 1.00 15.00 N ATOM 186 CA LYS A 444 -4.811 -8.849 4.406 1.00 15.00 C ATOM 187 C LYS A 444 -4.215 -8.205 3.167 1.00 15.00 C ATOM 188 O LYS A 444 -3.303 -8.750 2.544 1.00 15.00 O ATOM 189 CB LYS A 444 -3.901 -8.583 5.606 1.00 15.00 C ATOM 190 CG LYS A 444 -4.464 -9.065 6.937 1.00 15.00 C ATOM 191 CD LYS A 444 -3.525 -8.734 8.088 1.00 15.00 C ATOM 192 CE LYS A 444 -4.122 -9.112 9.438 1.00 15.00 C ATOM 193 NZ LYS A 444 -4.447 -10.558 9.531 1.00 15.00 N1+ ATOM 0 H LYS A 444 -4.204 -10.759 3.789 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.790 -8.411 4.601 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -2.940 -9.068 5.434 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -3.710 -7.512 5.672 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.435 -8.602 7.113 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.627 -10.142 6.896 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -2.581 -9.261 7.949 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -3.300 -7.668 8.077 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -3.419 -8.849 10.229 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -5.026 -8.528 9.608 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -4.802 -10.773 10.484 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -5.176 -10.796 8.828 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -3.591 -11.119 9.346 1.00 15.00 H new ATOM 207 N THR A 445 -4.728 -7.042 2.828 1.00 15.00 N ATOM 208 CA THR A 445 -4.224 -6.279 1.702 1.00 15.00 C ATOM 209 C THR A 445 -3.582 -4.989 2.200 1.00 15.00 C ATOM 210 O THR A 445 -4.274 -4.082 2.662 1.00 15.00 O ATOM 211 CB THR A 445 -5.354 -5.943 0.712 1.00 15.00 C ATOM 212 OG1 THR A 445 -6.138 -7.119 0.465 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.788 -5.418 -0.601 1.00 15.00 C ATOM 0 H THR A 445 -5.503 -6.599 3.321 1.00 15.00 H new ATOM 0 HA THR A 445 -3.481 -6.885 1.184 1.00 15.00 H new ATOM 0 HB THR A 445 -5.981 -5.166 1.150 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.859 -6.906 -0.164 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.606 -5.188 -1.284 1.00 15.00 H new ATOM 0 HG22 THR A 445 -4.208 -4.515 -0.412 1.00 15.00 H new ATOM 0 HG23 THR A 445 -4.144 -6.175 -1.048 1.00 15.00 H new ATOM 221 N TYR A 446 -2.263 -4.917 2.135 1.00 15.00 N ATOM 222 CA TYR A 446 -1.554 -3.754 2.638 1.00 15.00 C ATOM 223 C TYR A 446 -0.785 -3.067 1.520 1.00 15.00 C ATOM 224 O TYR A 446 -0.206 -3.721 0.650 1.00 15.00 O ATOM 225 CB TYR A 446 -0.626 -4.142 3.798 1.00 15.00 C ATOM 226 CG TYR A 446 0.474 -5.126 3.459 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.238 -6.495 3.472 1.00 15.00 C ATOM 228 CD2 TYR A 446 1.756 -4.684 3.163 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.251 -7.393 3.196 1.00 15.00 C ATOM 230 CE2 TYR A 446 2.771 -5.573 2.880 1.00 15.00 C ATOM 231 CZ TYR A 446 2.514 -6.927 2.900 1.00 15.00 C ATOM 232 OH TYR A 446 3.527 -7.820 2.634 1.00 15.00 O ATOM 0 H TYR A 446 -1.666 -5.644 1.742 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.287 -3.044 3.022 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.168 -3.235 4.191 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -1.233 -4.565 4.598 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.751 -6.862 3.701 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.962 -3.624 3.154 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.054 -8.455 3.212 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.761 -5.211 2.644 1.00 15.00 H new ATOM 0 HH TYR A 446 4.354 -7.330 2.443 1.00 15.00 H new ATOM 242 N TYR A 447 -0.785 -1.744 1.549 1.00 15.00 N ATOM 243 CA TYR A 447 -0.147 -0.959 0.509 1.00 15.00 C ATOM 244 C TYR A 447 1.243 -0.516 0.941 1.00 15.00 C ATOM 245 O TYR A 447 1.430 0.058 2.018 1.00 15.00 O ATOM 246 CB TYR A 447 -1.021 0.237 0.130 1.00 15.00 C ATOM 247 CG TYR A 447 -2.225 -0.163 -0.693 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.257 -0.906 -0.134 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.317 0.181 -2.037 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.346 -1.295 -0.885 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.405 -0.204 -2.796 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.415 -0.942 -2.215 1.00 15.00 C ATOM 253 OH TYR A 447 -5.499 -1.331 -2.964 1.00 15.00 O ATOM 0 H TYR A 447 -1.222 -1.191 2.286 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.032 -1.585 -0.376 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.356 0.740 1.037 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.424 0.956 -0.431 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.205 -1.184 0.908 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.526 0.758 -2.494 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.139 -1.872 -0.434 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.464 0.071 -3.839 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.397 -1.002 -3.882 1.00 15.00 H new ATOM 263 N TYR A 448 2.205 -0.795 0.082 1.00 15.00 N ATOM 264 CA TYR A 448 3.603 -0.546 0.369 1.00 15.00 C ATOM 265 C TYR A 448 4.179 0.487 -0.597 1.00 15.00 C ATOM 266 O TYR A 448 4.177 0.289 -1.814 1.00 15.00 O ATOM 267 CB TYR A 448 4.367 -1.873 0.282 1.00 15.00 C ATOM 268 CG TYR A 448 5.875 -1.758 0.329 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.539 -1.469 1.515 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.636 -1.967 -0.815 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.919 -1.392 1.557 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.013 -1.887 -0.780 1.00 15.00 C ATOM 273 CZ TYR A 448 8.649 -1.602 0.405 1.00 15.00 C ATOM 274 OH TYR A 448 10.026 -1.534 0.438 1.00 15.00 O ATOM 0 H TYR A 448 2.037 -1.202 -0.838 1.00 15.00 H new ATOM 0 HA TYR A 448 3.705 -0.137 1.374 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.043 -2.514 1.102 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.086 -2.374 -0.644 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.969 -1.302 2.417 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.141 -2.196 -1.747 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.423 -1.169 2.486 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.589 -2.048 -1.680 1.00 15.00 H new ATOM 0 HH TYR A 448 10.359 -1.231 -0.432 1.00 15.00 H new ATOM 284 N ASN A 449 4.634 1.598 -0.041 1.00 15.00 N ATOM 285 CA ASN A 449 5.306 2.638 -0.809 1.00 15.00 C ATOM 286 C ASN A 449 6.811 2.404 -0.765 1.00 15.00 C ATOM 287 O ASN A 449 7.414 2.429 0.310 1.00 15.00 O ATOM 288 CB ASN A 449 4.952 4.019 -0.229 1.00 15.00 C ATOM 289 CG ASN A 449 5.567 5.187 -0.985 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.687 5.114 -1.478 1.00 15.00 O ATOM 291 ND2 ASN A 449 4.828 6.279 -1.088 1.00 15.00 N ATOM 0 H ASN A 449 4.549 1.806 0.954 1.00 15.00 H new ATOM 0 HA ASN A 449 4.976 2.605 -1.847 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.868 4.133 -0.226 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.280 4.060 0.810 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.186 7.092 -1.589 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.900 6.308 -0.667 1.00 15.00 H new ATOM 298 N ASN A 450 7.415 2.165 -1.921 1.00 15.00 N ATOM 299 CA ASN A 450 8.846 1.882 -1.989 1.00 15.00 C ATOM 300 C ASN A 450 9.628 3.145 -2.349 1.00 15.00 C ATOM 301 O ASN A 450 10.856 3.157 -2.342 1.00 15.00 O ATOM 302 CB ASN A 450 9.119 0.771 -3.011 1.00 15.00 C ATOM 303 CG ASN A 450 10.524 0.196 -2.907 1.00 15.00 C ATOM 304 OD1 ASN A 450 10.777 -0.702 -2.101 1.00 15.00 O ATOM 305 ND2 ASN A 450 11.435 0.682 -3.737 1.00 15.00 N ATOM 0 H ASN A 450 6.940 2.161 -2.823 1.00 15.00 H new ATOM 0 HA ASN A 450 9.179 1.543 -1.008 1.00 15.00 H new ATOM 0 HB2 ASN A 450 8.394 -0.030 -2.870 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.968 1.165 -4.016 1.00 15.00 H new ATOM 0 HD21 ASN A 450 12.386 0.313 -3.724 1.00 15.00 H new ATOM 0 HD22 ASN A 450 11.186 1.425 -4.389 1.00 15.00 H new ATOM 312 N ARG A 451 8.904 4.213 -2.647 1.00 15.00 N ATOM 313 CA ARG A 451 9.515 5.482 -3.023 1.00 15.00 C ATOM 314 C ARG A 451 10.019 6.225 -1.788 1.00 15.00 C ATOM 315 O ARG A 451 11.077 6.855 -1.819 1.00 15.00 O ATOM 316 CB ARG A 451 8.502 6.343 -3.779 1.00 15.00 C ATOM 317 CG ARG A 451 9.067 7.640 -4.328 1.00 15.00 C ATOM 318 CD ARG A 451 10.114 7.380 -5.394 1.00 15.00 C ATOM 319 NE ARG A 451 10.546 8.611 -6.045 1.00 15.00 N ATOM 320 CZ ARG A 451 11.243 8.644 -7.174 1.00 15.00 C ATOM 321 NH1 ARG A 451 11.609 7.519 -7.768 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 11.589 9.806 -7.707 1.00 15.00 N ATOM 0 H ARG A 451 7.884 4.227 -2.636 1.00 15.00 H new ATOM 0 HA ARG A 451 10.367 5.279 -3.672 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.093 5.761 -4.605 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.672 6.576 -3.112 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.260 8.241 -4.747 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.508 8.219 -3.516 1.00 15.00 H new ATOM 0 HD2 ARG A 451 10.975 6.886 -4.944 1.00 15.00 H new ATOM 0 HD3 ARG A 451 9.709 6.697 -6.141 1.00 15.00 H new ATOM 0 HE ARG A 451 10.298 9.498 -5.607 1.00 15.00 H new ATOM 0 HH11 ARG A 451 11.355 6.620 -7.358 1.00 15.00 H new ATOM 0 HH12 ARG A 451 12.145 7.551 -8.636 1.00 15.00 H new ATOM 0 HH21 ARG A 451 11.320 10.677 -7.250 1.00 15.00 H new ATOM 0 HH22 ARG A 451 12.125 9.830 -8.575 1.00 15.00 H new ATOM 336 N THR A 452 9.244 6.169 -0.714 1.00 15.00 N ATOM 337 CA THR A 452 9.627 6.814 0.533 1.00 15.00 C ATOM 338 C THR A 452 9.690 5.818 1.681 1.00 15.00 C ATOM 339 O THR A 452 10.078 6.172 2.796 1.00 15.00 O ATOM 340 CB THR A 452 8.645 7.939 0.905 1.00 15.00 C ATOM 341 OG1 THR A 452 7.293 7.503 0.719 1.00 15.00 O ATOM 342 CG2 THR A 452 8.901 9.187 0.075 1.00 15.00 C ATOM 0 H THR A 452 8.347 5.684 -0.681 1.00 15.00 H new ATOM 0 HA THR A 452 10.619 7.237 0.372 1.00 15.00 H new ATOM 0 HB THR A 452 8.802 8.185 1.955 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.679 8.228 0.961 1.00 15.00 H new ATOM 0 HG21 THR A 452 8.192 9.965 0.360 1.00 15.00 H new ATOM 0 HG22 THR A 452 9.917 9.539 0.252 1.00 15.00 H new ATOM 0 HG23 THR A 452 8.777 8.953 -0.982 1.00 15.00 H new ATOM 350 N LEU A 453 9.311 4.575 1.393 1.00 15.00 N ATOM 351 CA LEU A 453 9.236 3.520 2.400 1.00 15.00 C ATOM 352 C LEU A 453 8.156 3.840 3.430 1.00 15.00 C ATOM 353 O LEU A 453 8.427 4.385 4.500 1.00 15.00 O ATOM 354 CB LEU A 453 10.589 3.261 3.085 1.00 15.00 C ATOM 355 CG LEU A 453 11.637 2.510 2.249 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.074 1.193 1.743 1.00 15.00 C ATOM 357 CD2 LEU A 453 12.135 3.360 1.089 1.00 15.00 C ATOM 0 H LEU A 453 9.047 4.271 0.456 1.00 15.00 H new ATOM 0 HA LEU A 453 8.967 2.600 1.881 1.00 15.00 H new ATOM 0 HB2 LEU A 453 11.012 4.220 3.384 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.408 2.694 3.998 1.00 15.00 H new ATOM 0 HG LEU A 453 12.488 2.298 2.896 1.00 15.00 H new ATOM 0 HD11 LEU A 453 11.831 0.676 1.153 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.787 0.571 2.590 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.199 1.386 1.122 1.00 15.00 H new ATOM 0 HD21 LEU A 453 12.875 2.799 0.518 1.00 15.00 H new ATOM 0 HD22 LEU A 453 11.297 3.619 0.442 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.590 4.272 1.475 1.00 15.00 H new ATOM 369 N GLU A 454 6.922 3.556 3.054 1.00 15.00 N ATOM 370 CA GLU A 454 5.773 3.771 3.921 1.00 15.00 C ATOM 371 C GLU A 454 4.736 2.679 3.684 1.00 15.00 C ATOM 372 O GLU A 454 4.246 2.515 2.569 1.00 15.00 O ATOM 373 CB GLU A 454 5.171 5.149 3.641 1.00 15.00 C ATOM 374 CG GLU A 454 4.022 5.526 4.559 1.00 15.00 C ATOM 375 CD GLU A 454 3.457 6.890 4.228 1.00 15.00 C ATOM 376 OE1 GLU A 454 4.074 7.903 4.612 1.00 15.00 O ATOM 377 OE2 GLU A 454 2.408 6.962 3.560 1.00 15.00 O1- ATOM 0 H GLU A 454 6.686 3.170 2.140 1.00 15.00 H new ATOM 0 HA GLU A 454 6.090 3.730 4.963 1.00 15.00 H new ATOM 0 HB2 GLU A 454 5.955 5.901 3.732 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.821 5.177 2.609 1.00 15.00 H new ATOM 0 HG2 GLU A 454 3.233 4.778 4.479 1.00 15.00 H new ATOM 0 HG3 GLU A 454 4.366 5.517 5.593 1.00 15.00 H new ATOM 384 N SER A 455 4.416 1.923 4.721 1.00 15.00 N ATOM 385 CA SER A 455 3.463 0.833 4.591 1.00 15.00 C ATOM 386 C SER A 455 2.212 1.125 5.416 1.00 15.00 C ATOM 387 O SER A 455 2.295 1.411 6.614 1.00 15.00 O ATOM 388 CB SER A 455 4.108 -0.486 5.035 1.00 15.00 C ATOM 389 OG SER A 455 3.278 -1.596 4.727 1.00 15.00 O ATOM 0 H SER A 455 4.800 2.043 5.658 1.00 15.00 H new ATOM 0 HA SER A 455 3.171 0.741 3.545 1.00 15.00 H new ATOM 0 HB2 SER A 455 5.074 -0.604 4.544 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.297 -0.458 6.108 1.00 15.00 H new ATOM 0 HG SER A 455 3.715 -2.423 5.020 1.00 15.00 H new ATOM 395 N THR A 456 1.058 1.056 4.768 1.00 15.00 N ATOM 396 CA THR A 456 -0.207 1.313 5.434 1.00 15.00 C ATOM 397 C THR A 456 -1.187 0.168 5.184 1.00 15.00 C ATOM 398 O THR A 456 -1.194 -0.434 4.106 1.00 15.00 O ATOM 399 CB THR A 456 -0.829 2.653 4.967 1.00 15.00 C ATOM 400 OG1 THR A 456 -2.104 2.857 5.590 1.00 15.00 O ATOM 401 CG2 THR A 456 -0.993 2.690 3.454 1.00 15.00 C ATOM 0 H THR A 456 0.974 0.823 3.779 1.00 15.00 H new ATOM 0 HA THR A 456 -0.008 1.384 6.503 1.00 15.00 H new ATOM 0 HB THR A 456 -0.148 3.451 5.262 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.795 2.944 4.900 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.432 3.643 3.159 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.018 2.577 2.979 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.647 1.877 3.139 1.00 15.00 H new ATOM 409 N TRP A 457 -1.998 -0.141 6.189 1.00 15.00 N ATOM 410 CA TRP A 457 -3.009 -1.185 6.065 1.00 15.00 C ATOM 411 C TRP A 457 -4.321 -0.590 5.572 1.00 15.00 C ATOM 412 O TRP A 457 -5.293 -1.306 5.322 1.00 15.00 O ATOM 413 CB TRP A 457 -3.225 -1.887 7.408 1.00 15.00 C ATOM 414 CG TRP A 457 -1.995 -2.564 7.933 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.095 -2.055 8.823 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.523 -3.872 7.590 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.096 -2.968 9.057 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.336 -4.092 8.311 1.00 15.00 C ATOM 419 CE3 TRP A 457 -1.994 -4.879 6.744 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.388 -5.278 8.211 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.275 -6.052 6.642 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.096 -6.244 7.371 1.00 15.00 C ATOM 0 H TRP A 457 -1.975 0.317 7.100 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.658 -1.920 5.341 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.568 -1.156 8.140 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.019 -2.626 7.299 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.159 -1.077 9.277 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.696 -2.831 9.685 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -2.905 -4.742 6.180 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.297 -5.429 8.775 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.628 -6.836 5.988 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.443 -7.174 7.269 1.00 15.00 H new ATOM 433 N GLU A 458 -4.339 0.728 5.448 1.00 15.00 N ATOM 434 CA GLU A 458 -5.509 1.446 4.972 1.00 15.00 C ATOM 435 C GLU A 458 -5.218 1.984 3.578 1.00 15.00 C ATOM 436 O GLU A 458 -4.281 2.762 3.390 1.00 15.00 O ATOM 437 CB GLU A 458 -5.852 2.572 5.958 1.00 15.00 C ATOM 438 CG GLU A 458 -7.247 3.168 5.800 1.00 15.00 C ATOM 439 CD GLU A 458 -7.338 4.221 4.715 1.00 15.00 C ATOM 440 OE1 GLU A 458 -6.545 5.189 4.749 1.00 15.00 O1- ATOM 441 OE2 GLU A 458 -8.210 4.096 3.837 1.00 15.00 O ATOM 0 H GLU A 458 -3.545 1.328 5.674 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.373 0.784 4.912 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -5.751 2.188 6.973 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -5.118 3.370 5.844 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -7.952 2.367 5.577 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -7.554 3.608 6.749 1.00 15.00 H new ATOM 448 N LYS A 459 -6.001 1.533 2.604 1.00 15.00 N ATOM 449 CA LYS A 459 -5.778 1.878 1.204 1.00 15.00 C ATOM 450 C LYS A 459 -5.868 3.382 0.975 1.00 15.00 C ATOM 451 O LYS A 459 -6.881 4.001 1.281 1.00 15.00 O ATOM 452 CB LYS A 459 -6.788 1.146 0.311 1.00 15.00 C ATOM 453 CG LYS A 459 -6.784 1.630 -1.129 1.00 15.00 C ATOM 454 CD LYS A 459 -7.585 0.724 -2.050 1.00 15.00 C ATOM 455 CE LYS A 459 -9.026 0.566 -1.601 1.00 15.00 C ATOM 456 NZ LYS A 459 -9.866 -0.014 -2.680 1.00 15.00 N1+ ATOM 0 H LYS A 459 -6.803 0.922 2.760 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.769 1.561 0.941 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -6.569 0.078 0.328 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -7.788 1.273 0.726 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.194 2.639 -1.171 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -5.756 1.689 -1.486 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.565 1.131 -3.061 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -7.111 -0.257 -2.092 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.067 -0.075 -0.721 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -9.426 1.536 -1.307 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -10.567 -0.661 -2.265 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -10.357 0.750 -3.186 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -9.263 -0.538 -3.346 1.00 15.00 H new ATOM 470 N PRO A 460 -4.797 3.981 0.426 1.00 15.00 N ATOM 471 CA PRO A 460 -4.761 5.413 0.101 1.00 15.00 C ATOM 472 C PRO A 460 -5.949 5.842 -0.753 1.00 15.00 C ATOM 473 O PRO A 460 -6.362 5.119 -1.664 1.00 15.00 O ATOM 474 CB PRO A 460 -3.455 5.561 -0.683 1.00 15.00 C ATOM 475 CG PRO A 460 -2.597 4.458 -0.180 1.00 15.00 C ATOM 476 CD PRO A 460 -3.531 3.309 0.081 1.00 15.00 C ATOM 0 HA PRO A 460 -4.813 6.038 0.992 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.624 5.476 -1.756 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.995 6.534 -0.509 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.837 4.187 -0.913 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.073 4.752 0.729 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -3.639 2.670 -0.795 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.175 2.677 0.894 1.00 15.00 H new ATOM 484 N GLN A 461 -6.463 7.035 -0.474 1.00 15.00 N ATOM 485 CA GLN A 461 -7.658 7.553 -1.138 1.00 15.00 C ATOM 486 C GLN A 461 -7.472 7.638 -2.655 1.00 15.00 C ATOM 487 O GLN A 461 -8.444 7.653 -3.409 1.00 15.00 O ATOM 488 CB GLN A 461 -8.010 8.934 -0.579 1.00 15.00 C ATOM 489 CG GLN A 461 -9.362 9.461 -1.040 1.00 15.00 C ATOM 490 CD GLN A 461 -10.524 8.686 -0.449 1.00 15.00 C ATOM 491 OE1 GLN A 461 -10.442 8.181 0.671 1.00 15.00 O ATOM 492 NE2 GLN A 461 -11.617 8.592 -1.189 1.00 15.00 N ATOM 0 H GLN A 461 -6.065 7.671 0.217 1.00 15.00 H new ATOM 0 HA GLN A 461 -8.474 6.858 -0.940 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -8.002 8.887 0.510 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -7.236 9.642 -0.873 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -9.452 10.511 -0.762 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -9.414 9.413 -2.128 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -11.646 9.024 -2.112 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -12.430 8.087 -0.836 1.00 15.00 H new ATOM 501 N GLU A 462 -6.219 7.701 -3.092 1.00 15.00 N ATOM 502 CA GLU A 462 -5.901 7.793 -4.512 1.00 15.00 C ATOM 503 C GLU A 462 -6.205 6.480 -5.232 1.00 15.00 C ATOM 504 O GLU A 462 -6.311 6.445 -6.458 1.00 15.00 O ATOM 505 CB GLU A 462 -4.422 8.158 -4.719 1.00 15.00 C ATOM 506 CG GLU A 462 -4.026 9.536 -4.201 1.00 15.00 C ATOM 507 CD GLU A 462 -4.082 9.656 -2.688 1.00 15.00 C ATOM 508 OE1 GLU A 462 -3.882 8.637 -1.993 1.00 15.00 O ATOM 509 OE2 GLU A 462 -4.320 10.776 -2.189 1.00 15.00 O1- ATOM 0 H GLU A 462 -5.403 7.690 -2.480 1.00 15.00 H new ATOM 0 HA GLU A 462 -6.527 8.579 -4.934 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -3.804 7.408 -4.225 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -4.195 8.106 -5.784 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -3.015 9.765 -4.538 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -4.686 10.284 -4.641 1.00 15.00 H new ATOM 516 N LEU A 463 -6.310 5.396 -4.471 1.00 15.00 N ATOM 517 CA LEU A 463 -6.572 4.079 -5.039 1.00 15.00 C ATOM 518 C LEU A 463 -7.798 3.448 -4.389 1.00 15.00 C ATOM 519 O LEU A 463 -8.153 2.309 -4.695 1.00 15.00 O ATOM 520 CB LEU A 463 -5.361 3.144 -4.856 1.00 15.00 C ATOM 521 CG LEU A 463 -4.091 3.523 -5.629 1.00 15.00 C ATOM 522 CD1 LEU A 463 -3.301 4.603 -4.906 1.00 15.00 C ATOM 523 CD2 LEU A 463 -3.226 2.294 -5.859 1.00 15.00 C ATOM 0 H LEU A 463 -6.217 5.404 -3.455 1.00 15.00 H new ATOM 0 HA LEU A 463 -6.756 4.213 -6.105 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -5.117 3.103 -3.794 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -5.656 2.138 -5.154 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.395 3.926 -6.595 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.408 4.847 -5.481 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.918 5.495 -4.798 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.010 4.242 -3.920 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.329 2.578 -6.409 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.942 1.864 -4.899 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.786 1.557 -6.435 1.00 15.00 H new ATOM 535 N LYS A 464 -8.452 4.204 -3.518 1.00 15.00 N ATOM 536 CA LYS A 464 -9.543 3.680 -2.711 1.00 15.00 C ATOM 537 C LYS A 464 -10.755 3.331 -3.569 1.00 15.00 C ATOM 538 O LYS A 464 -11.506 4.253 -3.944 1.00 15.00 O ATOM 539 CB LYS A 464 -9.922 4.689 -1.628 1.00 15.00 C ATOM 540 CG LYS A 464 -10.878 4.137 -0.581 1.00 15.00 C ATOM 541 CD LYS A 464 -10.936 5.042 0.639 1.00 15.00 C ATOM 542 CE LYS A 464 -9.556 5.197 1.256 1.00 15.00 C ATOM 543 NZ LYS A 464 -9.529 6.195 2.351 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.955 2.131 -3.848 1.00 15.00 O ATOM 0 H LYS A 464 -8.243 5.189 -3.352 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.203 2.760 -2.236 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -9.015 5.033 -1.132 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -10.378 5.560 -2.099 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -11.875 4.037 -1.011 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -10.558 3.139 -0.282 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -11.325 6.020 0.355 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -11.625 4.626 1.375 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -9.224 4.233 1.640 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -8.848 5.493 0.482 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -8.559 6.286 2.714 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -9.852 7.115 1.990 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -10.158 5.885 3.119 1.00 15.00 H new