USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=11 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 449 ASN : amide:sc= 0.561 K(o=0.56,f=-13!) USER MOD Set 1.2: A 452 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 448 TYR OH : rot -147:sc= 1.14 USER MOD Set 2.2: A 450 ASN : amide:sc= 0.939 X(o=2.1,f=1.6) 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+ -152:sc= 1.21 (180deg=0.89) USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.0972 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= -0.356 USER MOD Single : A 455 SER OG : rot 45:sc= 0.152 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.0953 USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 GLN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 464 LYS NZ :NH3+ -167:sc= -0.0927 (180deg=-0.588) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 3.264 5.625 -5.775 1.00 15.00 N ATOM 29 CA GLU A 434 4.428 4.748 -5.726 1.00 15.00 C ATOM 30 C GLU A 434 4.090 3.566 -4.830 1.00 15.00 C ATOM 31 O GLU A 434 4.967 2.872 -4.309 1.00 15.00 O ATOM 32 CB GLU A 434 5.660 5.498 -5.202 1.00 15.00 C ATOM 33 CG GLU A 434 6.656 5.849 -6.299 1.00 15.00 C ATOM 34 CD GLU A 434 7.396 4.638 -6.835 1.00 15.00 C ATOM 35 OE1 GLU A 434 6.797 3.863 -7.605 1.00 15.00 O1- ATOM 36 OE2 GLU A 434 8.587 4.466 -6.484 1.00 15.00 O ATOM 0 HA GLU A 434 4.671 4.398 -6.729 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.337 6.413 -4.706 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.158 4.886 -4.450 1.00 15.00 H new ATOM 0 HG2 GLU A 434 6.129 6.338 -7.118 1.00 15.00 H new ATOM 0 HG3 GLU A 434 7.378 6.567 -5.911 1.00 15.00 H new ATOM 43 N TRP A 435 2.790 3.337 -4.694 1.00 15.00 N ATOM 44 CA TRP A 435 2.263 2.294 -3.834 1.00 15.00 C ATOM 45 C TRP A 435 1.996 1.029 -4.636 1.00 15.00 C ATOM 46 O TRP A 435 1.312 1.070 -5.660 1.00 15.00 O ATOM 47 CB TRP A 435 0.947 2.744 -3.189 1.00 15.00 C ATOM 48 CG TRP A 435 1.032 4.030 -2.422 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.936 5.296 -2.928 1.00 15.00 C ATOM 50 CD2 TRP A 435 1.201 4.176 -1.007 1.00 15.00 C ATOM 51 NE1 TRP A 435 1.051 6.217 -1.919 1.00 15.00 N ATOM 52 CE2 TRP A 435 1.212 5.556 -0.729 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.349 3.276 0.051 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.363 6.055 0.561 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.499 3.773 1.331 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.504 5.151 1.577 1.00 15.00 C ATOM 0 H TRP A 435 2.072 3.873 -5.180 1.00 15.00 H new ATOM 0 HA TRP A 435 3.005 2.094 -3.061 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.194 2.852 -3.970 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.600 1.959 -2.517 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.791 5.536 -3.971 1.00 15.00 H new ATOM 0 HE1 TRP A 435 1.022 7.230 -2.035 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.346 2.211 -0.129 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.369 7.118 0.753 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.614 3.086 2.157 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.622 5.507 2.590 1.00 15.00 H new ATOM 67 N THR A 436 2.530 -0.085 -4.176 1.00 15.00 N ATOM 68 CA THR A 436 2.195 -1.372 -4.748 1.00 15.00 C ATOM 69 C THR A 436 1.342 -2.152 -3.747 1.00 15.00 C ATOM 70 O THR A 436 1.627 -2.155 -2.544 1.00 15.00 O ATOM 71 CB THR A 436 3.460 -2.176 -5.145 1.00 15.00 C ATOM 72 OG1 THR A 436 3.090 -3.381 -5.828 1.00 15.00 O ATOM 73 CG2 THR A 436 4.311 -2.519 -3.930 1.00 15.00 C ATOM 0 H THR A 436 3.199 -0.124 -3.407 1.00 15.00 H new ATOM 0 HA THR A 436 1.629 -1.211 -5.666 1.00 15.00 H new ATOM 0 HB THR A 436 4.052 -1.547 -5.809 1.00 15.00 H new ATOM 0 HG1 THR A 436 3.898 -3.878 -6.075 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.188 -3.082 -4.248 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.629 -1.600 -3.437 1.00 15.00 H new ATOM 0 HG23 THR A 436 3.726 -3.120 -3.234 1.00 15.00 H new ATOM 81 N GLU A 437 0.276 -2.774 -4.226 1.00 15.00 N ATOM 82 CA GLU A 437 -0.642 -3.473 -3.344 1.00 15.00 C ATOM 83 C GLU A 437 -0.241 -4.939 -3.205 1.00 15.00 C ATOM 84 O GLU A 437 -0.288 -5.716 -4.161 1.00 15.00 O ATOM 85 CB GLU A 437 -2.105 -3.332 -3.819 1.00 15.00 C ATOM 86 CG GLU A 437 -2.416 -3.908 -5.197 1.00 15.00 C ATOM 87 CD GLU A 437 -1.756 -3.153 -6.334 1.00 15.00 C ATOM 88 OE1 GLU A 437 -0.604 -3.485 -6.682 1.00 15.00 O1- ATOM 89 OE2 GLU A 437 -2.383 -2.230 -6.887 1.00 15.00 O ATOM 0 H GLU A 437 0.027 -2.809 -5.215 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.579 -3.009 -2.360 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.752 -3.818 -3.089 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.366 -2.274 -3.822 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -2.093 -4.949 -5.228 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -3.496 -3.904 -5.348 1.00 15.00 H new ATOM 96 N ARG A 438 0.188 -5.298 -2.007 1.00 15.00 N ATOM 97 CA ARG A 438 0.600 -6.659 -1.720 1.00 15.00 C ATOM 98 C ARG A 438 -0.422 -7.338 -0.820 1.00 15.00 C ATOM 99 O ARG A 438 -0.686 -6.884 0.290 1.00 15.00 O ATOM 100 CB ARG A 438 1.981 -6.667 -1.057 1.00 15.00 C ATOM 101 CG ARG A 438 2.441 -8.044 -0.595 1.00 15.00 C ATOM 102 CD ARG A 438 2.519 -9.032 -1.747 1.00 15.00 C ATOM 103 NE ARG A 438 2.930 -10.361 -1.304 1.00 15.00 N ATOM 104 CZ ARG A 438 2.824 -11.461 -2.045 1.00 15.00 C ATOM 105 NH1 ARG A 438 2.253 -11.411 -3.243 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 3.274 -12.616 -1.578 1.00 15.00 N ATOM 0 H ARG A 438 0.260 -4.661 -1.214 1.00 15.00 H new ATOM 0 HA ARG A 438 0.661 -7.211 -2.658 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.712 -6.269 -1.760 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.964 -5.995 -0.199 1.00 15.00 H new ATOM 0 HG2 ARG A 438 3.419 -7.960 -0.122 1.00 15.00 H new ATOM 0 HG3 ARG A 438 1.753 -8.422 0.161 1.00 15.00 H new ATOM 0 HD2 ARG A 438 1.546 -9.098 -2.234 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.225 -8.664 -2.492 1.00 15.00 H new ATOM 0 HE ARG A 438 3.323 -10.452 -0.367 1.00 15.00 H new ATOM 0 HH11 ARG A 438 1.893 -10.526 -3.600 1.00 15.00 H new ATOM 0 HH12 ARG A 438 2.175 -12.258 -3.806 1.00 15.00 H new ATOM 0 HH21 ARG A 438 3.700 -12.661 -0.652 1.00 15.00 H new ATOM 0 HH22 ARG A 438 3.194 -13.461 -2.144 1.00 15.00 H new ATOM 120 N LYS A 439 -1.007 -8.414 -1.311 1.00 15.00 N ATOM 121 CA LYS A 439 -1.950 -9.179 -0.520 1.00 15.00 C ATOM 122 C LYS A 439 -1.258 -10.374 0.121 1.00 15.00 C ATOM 123 O LYS A 439 -0.699 -11.234 -0.560 1.00 15.00 O ATOM 124 CB LYS A 439 -3.152 -9.623 -1.360 1.00 15.00 C ATOM 125 CG LYS A 439 -2.794 -10.399 -2.618 1.00 15.00 C ATOM 126 CD LYS A 439 -4.044 -10.900 -3.331 1.00 15.00 C ATOM 127 CE LYS A 439 -4.822 -11.880 -2.466 1.00 15.00 C ATOM 128 NZ LYS A 439 -6.066 -12.346 -3.129 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.846 -8.777 -2.251 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.328 -8.534 0.273 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.803 -10.241 -0.741 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -3.726 -8.741 -1.644 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -2.219 -9.762 -3.290 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -2.157 -11.244 -2.358 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -4.681 -10.054 -3.588 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -3.762 -11.383 -4.267 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -4.191 -12.739 -2.235 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -5.073 -11.405 -1.518 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -6.564 -13.012 -2.504 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -6.681 -11.531 -3.326 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -5.826 -12.823 -4.022 1.00 15.00 H new ATOM 142 N THR A 440 -1.291 -10.402 1.437 1.00 15.00 N ATOM 143 CA THR A 440 -0.682 -11.476 2.191 1.00 15.00 C ATOM 144 C THR A 440 -1.702 -12.588 2.414 1.00 15.00 C ATOM 145 O THR A 440 -2.908 -12.326 2.469 1.00 15.00 O ATOM 146 CB THR A 440 -0.121 -10.974 3.541 1.00 15.00 C ATOM 147 OG1 THR A 440 0.619 -12.019 4.179 1.00 15.00 O ATOM 148 CG2 THR A 440 -1.229 -10.496 4.468 1.00 15.00 C ATOM 0 H THR A 440 -1.738 -9.686 2.010 1.00 15.00 H new ATOM 0 HA THR A 440 0.157 -11.867 1.615 1.00 15.00 H new ATOM 0 HB THR A 440 0.534 -10.128 3.333 1.00 15.00 H new ATOM 0 HG1 THR A 440 0.973 -11.694 5.033 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.795 -10.151 5.406 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.770 -9.676 3.996 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.917 -11.318 4.667 1.00 15.00 H new ATOM 156 N ALA A 441 -1.214 -13.823 2.520 1.00 15.00 N ATOM 157 CA ALA A 441 -2.074 -15.003 2.627 1.00 15.00 C ATOM 158 C ALA A 441 -3.004 -14.946 3.841 1.00 15.00 C ATOM 159 O ALA A 441 -3.930 -15.748 3.959 1.00 15.00 O ATOM 160 CB ALA A 441 -1.228 -16.266 2.678 1.00 15.00 C ATOM 0 H ALA A 441 -0.216 -14.035 2.534 1.00 15.00 H new ATOM 0 HA ALA A 441 -2.706 -15.018 1.739 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -1.879 -17.137 2.758 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -0.631 -16.341 1.769 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -0.567 -16.227 3.544 1.00 15.00 H new ATOM 166 N ASP A 442 -2.756 -14.003 4.746 1.00 15.00 N ATOM 167 CA ASP A 442 -3.638 -13.785 5.890 1.00 15.00 C ATOM 168 C ASP A 442 -4.976 -13.195 5.435 1.00 15.00 C ATOM 169 O ASP A 442 -5.941 -13.145 6.195 1.00 15.00 O ATOM 170 CB ASP A 442 -2.971 -12.859 6.915 1.00 15.00 C ATOM 171 CG ASP A 442 -3.849 -12.598 8.125 1.00 15.00 C ATOM 172 OD1 ASP A 442 -3.995 -13.506 8.971 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -4.411 -11.488 8.231 1.00 15.00 O ATOM 0 H ASP A 442 -1.951 -13.377 4.710 1.00 15.00 H new ATOM 0 HA ASP A 442 -3.827 -14.749 6.363 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -2.031 -13.303 7.242 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -2.726 -11.910 6.437 1.00 15.00 H new ATOM 178 N GLY A 443 -5.021 -12.750 4.186 1.00 15.00 N ATOM 179 CA GLY A 443 -6.236 -12.186 3.639 1.00 15.00 C ATOM 180 C GLY A 443 -6.259 -10.679 3.758 1.00 15.00 C ATOM 181 O GLY A 443 -7.326 -10.071 3.830 1.00 15.00 O ATOM 0 H GLY A 443 -4.232 -12.771 3.540 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.328 -12.469 2.590 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -7.097 -12.605 4.159 1.00 15.00 H new ATOM 185 N LYS A 444 -5.079 -10.075 3.787 1.00 15.00 N ATOM 186 CA LYS A 444 -4.968 -8.631 3.945 1.00 15.00 C ATOM 187 C LYS A 444 -4.120 -8.040 2.832 1.00 15.00 C ATOM 188 O LYS A 444 -3.013 -8.509 2.565 1.00 15.00 O ATOM 189 CB LYS A 444 -4.333 -8.276 5.292 1.00 15.00 C ATOM 190 CG LYS A 444 -4.985 -8.945 6.492 1.00 15.00 C ATOM 191 CD LYS A 444 -6.453 -8.574 6.621 1.00 15.00 C ATOM 192 CE LYS A 444 -7.095 -9.240 7.829 1.00 15.00 C ATOM 193 NZ LYS A 444 -6.963 -10.722 7.796 1.00 15.00 N1+ ATOM 0 H LYS A 444 -4.186 -10.561 3.703 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.975 -8.215 3.902 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.279 -8.552 5.266 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -4.376 -7.195 5.426 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -4.891 -10.027 6.400 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.456 -8.656 7.400 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -6.549 -7.492 6.708 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -6.984 -8.870 5.716 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -6.634 -8.857 8.739 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -8.151 -8.973 7.870 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -7.757 -11.153 8.311 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -6.972 -11.049 6.809 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -6.067 -11.001 8.245 1.00 15.00 H new ATOM 207 N THR A 445 -4.630 -6.999 2.208 1.00 15.00 N ATOM 208 CA THR A 445 -3.904 -6.304 1.169 1.00 15.00 C ATOM 209 C THR A 445 -3.350 -4.999 1.722 1.00 15.00 C ATOM 210 O THR A 445 -4.104 -4.076 2.035 1.00 15.00 O ATOM 211 CB THR A 445 -4.798 -6.011 -0.055 1.00 15.00 C ATOM 212 OG1 THR A 445 -5.351 -7.230 -0.564 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.004 -5.319 -1.154 1.00 15.00 C ATOM 0 H THR A 445 -5.553 -6.614 2.406 1.00 15.00 H new ATOM 0 HA THR A 445 -3.089 -6.948 0.840 1.00 15.00 H new ATOM 0 HB THR A 445 -5.603 -5.350 0.266 1.00 15.00 H new ATOM 0 HG1 THR A 445 -5.918 -7.034 -1.339 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.656 -5.123 -2.005 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.606 -4.377 -0.777 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.181 -5.961 -1.467 1.00 15.00 H new ATOM 221 N TYR A 446 -2.040 -4.941 1.878 1.00 15.00 N ATOM 222 CA TYR A 446 -1.396 -3.752 2.399 1.00 15.00 C ATOM 223 C TYR A 446 -0.626 -3.054 1.290 1.00 15.00 C ATOM 224 O TYR A 446 0.030 -3.700 0.466 1.00 15.00 O ATOM 225 CB TYR A 446 -0.480 -4.102 3.579 1.00 15.00 C ATOM 226 CG TYR A 446 0.692 -4.994 3.237 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.544 -6.373 3.167 1.00 15.00 C ATOM 228 CD2 TYR A 446 1.950 -4.457 3.000 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.616 -7.191 2.869 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.026 -5.266 2.699 1.00 15.00 C ATOM 231 CZ TYR A 446 2.855 -6.631 2.635 1.00 15.00 C ATOM 232 OH TYR A 446 3.928 -7.440 2.345 1.00 15.00 O ATOM 0 H TYR A 446 -1.402 -5.704 1.651 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.160 -3.069 2.770 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.099 -3.176 4.010 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -1.076 -4.591 4.350 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.425 -6.813 3.349 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.089 -3.387 3.052 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.485 -8.262 2.819 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.997 -4.831 2.515 1.00 15.00 H new ATOM 0 HH TYR A 446 4.726 -6.888 2.206 1.00 15.00 H new ATOM 242 N TYR A 447 -0.713 -1.739 1.268 1.00 15.00 N ATOM 243 CA TYR A 447 -0.080 -0.955 0.224 1.00 15.00 C ATOM 244 C TYR A 447 1.308 -0.513 0.656 1.00 15.00 C ATOM 245 O TYR A 447 1.478 0.135 1.692 1.00 15.00 O ATOM 246 CB TYR A 447 -0.950 0.251 -0.132 1.00 15.00 C ATOM 247 CG TYR A 447 -2.290 -0.129 -0.728 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.367 -0.465 0.087 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.483 -0.139 -2.104 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.594 -0.800 -0.455 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.708 -0.475 -2.653 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.759 -0.805 -1.824 1.00 15.00 C ATOM 253 OH TYR A 447 -5.987 -1.124 -2.360 1.00 15.00 O ATOM 0 H TYR A 447 -1.217 -1.189 1.963 1.00 15.00 H new ATOM 0 HA TYR A 447 0.026 -1.577 -0.665 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.116 0.848 0.765 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.412 0.882 -0.839 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.242 -0.464 1.160 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.662 0.120 -2.757 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.420 -1.057 0.191 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.840 -0.479 -3.725 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.938 -1.081 -3.338 1.00 15.00 H new ATOM 263 N TYR A 448 2.293 -0.881 -0.143 1.00 15.00 N ATOM 264 CA TYR A 448 3.681 -0.587 0.155 1.00 15.00 C ATOM 265 C TYR A 448 4.229 0.465 -0.802 1.00 15.00 C ATOM 266 O TYR A 448 4.272 0.258 -2.014 1.00 15.00 O ATOM 267 CB TYR A 448 4.509 -1.875 0.074 1.00 15.00 C ATOM 268 CG TYR A 448 6.007 -1.666 0.166 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.607 -1.233 1.344 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.824 -1.915 -0.930 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.977 -1.056 1.423 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.192 -1.739 -0.858 1.00 15.00 C ATOM 273 CZ TYR A 448 8.764 -1.311 0.318 1.00 15.00 C ATOM 274 OH TYR A 448 10.131 -1.143 0.394 1.00 15.00 O ATOM 0 H TYR A 448 2.153 -1.391 -1.015 1.00 15.00 H new ATOM 0 HA TYR A 448 3.747 -0.185 1.166 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.198 -2.543 0.877 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.282 -2.379 -0.865 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.994 -1.032 2.210 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.381 -2.252 -1.855 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.428 -0.720 2.345 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.810 -1.937 -1.721 1.00 15.00 H new ATOM 0 HH TYR A 448 10.473 -0.845 -0.475 1.00 15.00 H new ATOM 284 N ASN A 449 4.626 1.597 -0.247 1.00 15.00 N ATOM 285 CA ASN A 449 5.261 2.657 -1.017 1.00 15.00 C ATOM 286 C ASN A 449 6.771 2.527 -0.884 1.00 15.00 C ATOM 287 O ASN A 449 7.314 2.621 0.216 1.00 15.00 O ATOM 288 CB ASN A 449 4.800 4.032 -0.513 1.00 15.00 C ATOM 289 CG ASN A 449 5.255 5.184 -1.399 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.303 5.123 -2.034 1.00 15.00 O ATOM 291 ND2 ASN A 449 4.466 6.248 -1.441 1.00 15.00 N ATOM 0 H ASN A 449 4.519 1.809 0.745 1.00 15.00 H new ATOM 0 HA ASN A 449 4.977 2.566 -2.065 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.712 4.041 -0.448 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.181 4.187 0.496 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.723 7.051 -2.015 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.602 6.264 -0.900 1.00 15.00 H new ATOM 298 N ASN A 450 7.448 2.306 -1.996 1.00 15.00 N ATOM 299 CA ASN A 450 8.889 2.086 -1.973 1.00 15.00 C ATOM 300 C ASN A 450 9.647 3.395 -2.197 1.00 15.00 C ATOM 301 O ASN A 450 10.868 3.457 -2.051 1.00 15.00 O ATOM 302 CB ASN A 450 9.275 1.041 -3.029 1.00 15.00 C ATOM 303 CG ASN A 450 10.717 0.576 -2.908 1.00 15.00 C ATOM 304 OD1 ASN A 450 11.029 -0.297 -2.102 1.00 15.00 O ATOM 305 ND2 ASN A 450 11.594 1.128 -3.732 1.00 15.00 N ATOM 0 H ASN A 450 7.028 2.273 -2.925 1.00 15.00 H new ATOM 0 HA ASN A 450 9.168 1.709 -0.989 1.00 15.00 H new ATOM 0 HB2 ASN A 450 8.613 0.180 -2.938 1.00 15.00 H new ATOM 0 HB3 ASN A 450 9.117 1.461 -4.022 1.00 15.00 H new ATOM 0 HD21 ASN A 450 12.570 0.831 -3.712 1.00 15.00 H new ATOM 0 HD22 ASN A 450 11.294 1.850 -4.387 1.00 15.00 H new ATOM 312 N ARG A 451 8.915 4.449 -2.524 1.00 15.00 N ATOM 313 CA ARG A 451 9.525 5.742 -2.805 1.00 15.00 C ATOM 314 C ARG A 451 9.757 6.525 -1.515 1.00 15.00 C ATOM 315 O ARG A 451 10.726 7.275 -1.395 1.00 15.00 O ATOM 316 CB ARG A 451 8.646 6.545 -3.769 1.00 15.00 C ATOM 317 CG ARG A 451 9.287 7.825 -4.274 1.00 15.00 C ATOM 318 CD ARG A 451 10.530 7.529 -5.095 1.00 15.00 C ATOM 319 NE ARG A 451 10.254 6.585 -6.179 1.00 15.00 N ATOM 320 CZ ARG A 451 10.880 6.578 -7.354 1.00 15.00 C ATOM 321 NH1 ARG A 451 11.803 7.494 -7.633 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 10.564 5.656 -8.255 1.00 15.00 N ATOM 0 H ARG A 451 7.898 4.436 -2.602 1.00 15.00 H new ATOM 0 HA ARG A 451 10.493 5.570 -3.275 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.394 5.916 -4.623 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.710 6.793 -3.269 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.571 8.379 -4.881 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.549 8.462 -3.429 1.00 15.00 H new ATOM 0 HD2 ARG A 451 10.920 8.458 -5.512 1.00 15.00 H new ATOM 0 HD3 ARG A 451 11.305 7.121 -4.446 1.00 15.00 H new ATOM 0 HE ARG A 451 9.531 5.883 -6.023 1.00 15.00 H new ATOM 0 HH11 ARG A 451 12.036 8.209 -6.944 1.00 15.00 H new ATOM 0 HH12 ARG A 451 12.278 7.481 -8.536 1.00 15.00 H new ATOM 0 HH21 ARG A 451 9.847 4.961 -8.044 1.00 15.00 H new ATOM 0 HH22 ARG A 451 11.038 5.642 -9.158 1.00 15.00 H new ATOM 336 N THR A 452 8.844 6.371 -0.567 1.00 15.00 N ATOM 337 CA THR A 452 8.965 7.033 0.724 1.00 15.00 C ATOM 338 C THR A 452 9.175 6.021 1.843 1.00 15.00 C ATOM 339 O THR A 452 9.491 6.389 2.976 1.00 15.00 O ATOM 340 CB THR A 452 7.711 7.869 1.028 1.00 15.00 C ATOM 341 OG1 THR A 452 6.538 7.104 0.720 1.00 15.00 O ATOM 342 CG2 THR A 452 7.709 9.162 0.227 1.00 15.00 C ATOM 0 H THR A 452 8.010 5.792 -0.668 1.00 15.00 H new ATOM 0 HA THR A 452 9.833 7.690 0.672 1.00 15.00 H new ATOM 0 HB THR A 452 7.715 8.125 2.087 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.739 7.637 0.915 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.811 9.734 0.461 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.591 9.750 0.483 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.724 8.930 -0.838 1.00 15.00 H new ATOM 350 N LEU A 453 9.010 4.744 1.499 1.00 15.00 N ATOM 351 CA LEU A 453 9.079 3.647 2.457 1.00 15.00 C ATOM 352 C LEU A 453 7.943 3.750 3.469 1.00 15.00 C ATOM 353 O LEU A 453 8.097 4.305 4.557 1.00 15.00 O ATOM 354 CB LEU A 453 10.441 3.586 3.163 1.00 15.00 C ATOM 355 CG LEU A 453 10.636 2.395 4.101 1.00 15.00 C ATOM 356 CD1 LEU A 453 10.575 1.087 3.326 1.00 15.00 C ATOM 357 CD2 LEU A 453 11.955 2.519 4.844 1.00 15.00 C ATOM 0 H LEU A 453 8.824 4.443 0.542 1.00 15.00 H new ATOM 0 HA LEU A 453 8.966 2.717 1.901 1.00 15.00 H new ATOM 0 HB2 LEU A 453 11.224 3.563 2.405 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.577 4.504 3.735 1.00 15.00 H new ATOM 0 HG LEU A 453 9.828 2.394 4.832 1.00 15.00 H new ATOM 0 HD11 LEU A 453 10.716 0.251 4.011 1.00 15.00 H new ATOM 0 HD12 LEU A 453 9.604 0.997 2.839 1.00 15.00 H new ATOM 0 HD13 LEU A 453 11.361 1.074 2.571 1.00 15.00 H new ATOM 0 HD21 LEU A 453 12.080 1.664 5.508 1.00 15.00 H new ATOM 0 HD22 LEU A 453 12.776 2.545 4.127 1.00 15.00 H new ATOM 0 HD23 LEU A 453 11.957 3.438 5.431 1.00 15.00 H new ATOM 369 N GLU A 454 6.785 3.252 3.070 1.00 15.00 N ATOM 370 CA GLU A 454 5.601 3.303 3.906 1.00 15.00 C ATOM 371 C GLU A 454 4.746 2.065 3.676 1.00 15.00 C ATOM 372 O GLU A 454 4.521 1.665 2.538 1.00 15.00 O ATOM 373 CB GLU A 454 4.794 4.568 3.592 1.00 15.00 C ATOM 374 CG GLU A 454 3.560 4.736 4.467 1.00 15.00 C ATOM 375 CD GLU A 454 3.896 4.849 5.940 1.00 15.00 C ATOM 376 OE1 GLU A 454 4.220 3.818 6.561 1.00 15.00 O1- ATOM 377 OE2 GLU A 454 3.840 5.972 6.482 1.00 15.00 O ATOM 0 H GLU A 454 6.641 2.805 2.165 1.00 15.00 H new ATOM 0 HA GLU A 454 5.906 3.329 4.952 1.00 15.00 H new ATOM 0 HB2 GLU A 454 5.437 5.439 3.715 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.487 4.543 2.546 1.00 15.00 H new ATOM 0 HG2 GLU A 454 3.017 5.627 4.154 1.00 15.00 H new ATOM 0 HG3 GLU A 454 2.894 3.887 4.315 1.00 15.00 H new ATOM 384 N SER A 455 4.270 1.470 4.754 1.00 15.00 N ATOM 385 CA SER A 455 3.411 0.305 4.664 1.00 15.00 C ATOM 386 C SER A 455 2.180 0.500 5.535 1.00 15.00 C ATOM 387 O SER A 455 2.283 0.568 6.760 1.00 15.00 O ATOM 388 CB SER A 455 4.181 -0.951 5.080 1.00 15.00 C ATOM 389 OG SER A 455 4.871 -0.744 6.302 1.00 15.00 O ATOM 0 H SER A 455 4.465 1.777 5.707 1.00 15.00 H new ATOM 0 HA SER A 455 3.086 0.178 3.631 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.490 -1.787 5.186 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.891 -1.222 4.299 1.00 15.00 H new ATOM 0 HG SER A 455 4.278 -0.296 6.941 1.00 15.00 H new ATOM 395 N THR A 456 1.024 0.608 4.905 1.00 15.00 N ATOM 396 CA THR A 456 -0.208 0.872 5.618 1.00 15.00 C ATOM 397 C THR A 456 -1.282 -0.137 5.229 1.00 15.00 C ATOM 398 O THR A 456 -1.281 -0.658 4.108 1.00 15.00 O ATOM 399 CB THR A 456 -0.705 2.311 5.361 1.00 15.00 C ATOM 400 OG1 THR A 456 -1.899 2.575 6.109 1.00 15.00 O ATOM 401 CG2 THR A 456 -0.967 2.549 3.880 1.00 15.00 C ATOM 0 H THR A 456 0.915 0.516 3.895 1.00 15.00 H new ATOM 0 HA THR A 456 -0.003 0.770 6.684 1.00 15.00 H new ATOM 0 HB THR A 456 0.081 2.992 5.688 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.198 3.492 5.935 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.316 3.571 3.732 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.046 2.395 3.318 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.727 1.852 3.528 1.00 15.00 H new ATOM 409 N TRP A 457 -2.178 -0.426 6.163 1.00 15.00 N ATOM 410 CA TRP A 457 -3.257 -1.372 5.928 1.00 15.00 C ATOM 411 C TRP A 457 -4.484 -0.653 5.381 1.00 15.00 C ATOM 412 O TRP A 457 -5.490 -1.277 5.043 1.00 15.00 O ATOM 413 CB TRP A 457 -3.617 -2.104 7.226 1.00 15.00 C ATOM 414 CG TRP A 457 -2.476 -2.876 7.809 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.706 -2.520 8.875 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.966 -4.132 7.347 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.754 -3.481 9.111 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.893 -4.478 8.185 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.318 -4.996 6.308 1.00 15.00 C ATOM 420 CZ2 TRP A 457 -0.164 -5.653 8.015 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.595 -6.161 6.140 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.530 -6.481 6.988 1.00 15.00 C ATOM 0 H TRP A 457 -2.177 -0.015 7.096 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.919 -2.102 5.193 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.967 -1.377 7.959 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.446 -2.785 7.032 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.827 -1.614 9.450 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -0.057 -3.456 9.855 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -3.140 -4.758 5.649 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 0.659 -5.901 8.669 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.857 -6.837 5.339 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.015 -7.400 6.829 1.00 15.00 H new ATOM 433 N GLU A 458 -4.394 0.667 5.302 1.00 15.00 N ATOM 434 CA GLU A 458 -5.487 1.479 4.796 1.00 15.00 C ATOM 435 C GLU A 458 -5.239 1.839 3.336 1.00 15.00 C ATOM 436 O GLU A 458 -4.119 2.179 2.956 1.00 15.00 O ATOM 437 CB GLU A 458 -5.631 2.751 5.635 1.00 15.00 C ATOM 438 CG GLU A 458 -6.795 3.636 5.205 1.00 15.00 C ATOM 439 CD GLU A 458 -8.135 2.934 5.298 1.00 15.00 C ATOM 440 OE1 GLU A 458 -8.487 2.181 4.365 1.00 15.00 O ATOM 441 OE2 GLU A 458 -8.848 3.136 6.305 1.00 15.00 O1- ATOM 0 H GLU A 458 -3.570 1.199 5.584 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.412 0.906 4.865 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -5.763 2.474 6.681 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -4.706 3.325 5.572 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -6.815 4.530 5.828 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -6.634 3.966 4.179 1.00 15.00 H new ATOM 448 N LYS A 459 -6.292 1.791 2.534 1.00 15.00 N ATOM 449 CA LYS A 459 -6.192 2.107 1.118 1.00 15.00 C ATOM 450 C LYS A 459 -5.834 3.580 0.929 1.00 15.00 C ATOM 451 O LYS A 459 -6.505 4.463 1.467 1.00 15.00 O ATOM 452 CB LYS A 459 -7.512 1.788 0.412 1.00 15.00 C ATOM 453 CG LYS A 459 -7.480 2.057 -1.084 1.00 15.00 C ATOM 454 CD LYS A 459 -8.793 1.688 -1.755 1.00 15.00 C ATOM 455 CE LYS A 459 -9.051 0.191 -1.714 1.00 15.00 C ATOM 456 NZ LYS A 459 -10.309 -0.165 -2.424 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.230 1.535 2.842 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.403 1.497 0.678 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.760 0.740 0.579 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -8.308 2.380 0.863 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.267 3.112 -1.259 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.668 1.488 -1.538 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -9.612 2.211 -1.261 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -8.778 2.025 -2.791 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -8.213 -0.336 -2.170 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -9.111 -0.141 -0.677 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -10.455 -1.194 -2.377 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -11.111 0.320 -1.973 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -10.241 0.130 -3.419 1.00 15.00 H new ATOM 470 N PRO A 460 -4.760 3.861 0.174 1.00 15.00 N ATOM 471 CA PRO A 460 -4.311 5.227 -0.091 1.00 15.00 C ATOM 472 C PRO A 460 -5.364 6.047 -0.825 1.00 15.00 C ATOM 473 O PRO A 460 -6.065 5.538 -1.701 1.00 15.00 O ATOM 474 CB PRO A 460 -3.071 5.041 -0.977 1.00 15.00 C ATOM 475 CG PRO A 460 -2.639 3.638 -0.746 1.00 15.00 C ATOM 476 CD PRO A 460 -3.896 2.866 -0.472 1.00 15.00 C ATOM 0 HA PRO A 460 -4.110 5.771 0.832 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.307 5.213 -2.027 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.284 5.746 -0.707 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.117 3.241 -1.617 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.949 3.574 0.095 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.341 2.480 -1.389 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.711 2.010 0.177 1.00 15.00 H new ATOM 484 N GLN A 461 -5.440 7.323 -0.477 1.00 15.00 N ATOM 485 CA GLN A 461 -6.364 8.263 -1.105 1.00 15.00 C ATOM 486 C GLN A 461 -6.197 8.280 -2.624 1.00 15.00 C ATOM 487 O GLN A 461 -7.144 8.541 -3.365 1.00 15.00 O ATOM 488 CB GLN A 461 -6.124 9.664 -0.539 1.00 15.00 C ATOM 489 CG GLN A 461 -6.827 10.771 -1.300 1.00 15.00 C ATOM 490 CD GLN A 461 -6.317 12.137 -0.906 1.00 15.00 C ATOM 491 OE1 GLN A 461 -6.855 12.776 -0.006 1.00 15.00 O ATOM 492 NE2 GLN A 461 -5.261 12.585 -1.571 1.00 15.00 N ATOM 0 H GLN A 461 -4.861 7.740 0.252 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.382 7.942 -0.885 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.455 9.686 0.499 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.052 9.864 -0.537 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -6.682 10.624 -2.370 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.899 10.716 -1.113 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -4.847 12.019 -2.312 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -4.863 13.496 -1.342 1.00 15.00 H new ATOM 501 N GLU A 462 -4.984 7.992 -3.077 1.00 15.00 N ATOM 502 CA GLU A 462 -4.662 8.037 -4.497 1.00 15.00 C ATOM 503 C GLU A 462 -5.195 6.800 -5.219 1.00 15.00 C ATOM 504 O GLU A 462 -5.176 6.730 -6.449 1.00 15.00 O ATOM 505 CB GLU A 462 -3.145 8.138 -4.678 1.00 15.00 C ATOM 506 CG GLU A 462 -2.501 9.245 -3.856 1.00 15.00 C ATOM 507 CD GLU A 462 -2.984 10.627 -4.243 1.00 15.00 C ATOM 508 OE1 GLU A 462 -4.002 11.091 -3.683 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -2.343 11.253 -5.112 1.00 15.00 O ATOM 0 H GLU A 462 -4.203 7.723 -2.478 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.139 8.915 -4.932 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.692 7.185 -4.405 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -2.925 8.306 -5.732 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.711 9.075 -2.800 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -1.419 9.197 -3.977 1.00 15.00 H new ATOM 516 N LEU A 463 -5.666 5.825 -4.451 1.00 15.00 N ATOM 517 CA LEU A 463 -6.130 4.563 -5.009 1.00 15.00 C ATOM 518 C LEU A 463 -7.515 4.203 -4.481 1.00 15.00 C ATOM 519 O LEU A 463 -8.017 3.106 -4.733 1.00 15.00 O ATOM 520 CB LEU A 463 -5.137 3.447 -4.666 1.00 15.00 C ATOM 521 CG LEU A 463 -3.742 3.604 -5.275 1.00 15.00 C ATOM 522 CD1 LEU A 463 -2.815 2.511 -4.769 1.00 15.00 C ATOM 523 CD2 LEU A 463 -3.820 3.575 -6.793 1.00 15.00 C ATOM 0 H LEU A 463 -5.736 5.886 -3.435 1.00 15.00 H new ATOM 0 HA LEU A 463 -6.197 4.673 -6.091 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -5.038 3.391 -3.582 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -5.555 2.496 -4.997 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.337 4.568 -4.968 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.827 2.638 -5.212 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -2.737 2.574 -3.684 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.215 1.536 -5.048 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.820 3.688 -7.211 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -4.244 2.625 -7.117 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -4.453 4.392 -7.140 1.00 15.00 H new ATOM 535 N LYS A 464 -8.136 5.129 -3.762 1.00 15.00 N ATOM 536 CA LYS A 464 -9.437 4.869 -3.166 1.00 15.00 C ATOM 537 C LYS A 464 -10.552 5.280 -4.118 1.00 15.00 C ATOM 538 O LYS A 464 -10.949 6.464 -4.095 1.00 15.00 O ATOM 539 CB LYS A 464 -9.592 5.620 -1.845 1.00 15.00 C ATOM 540 CG LYS A 464 -10.774 5.138 -1.015 1.00 15.00 C ATOM 541 CD LYS A 464 -11.290 6.217 -0.077 1.00 15.00 C ATOM 542 CE LYS A 464 -12.309 7.121 -0.762 1.00 15.00 C ATOM 543 NZ LYS A 464 -11.739 7.854 -1.927 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -11.030 4.419 -4.881 1.00 15.00 O ATOM 0 H LYS A 464 -7.762 6.060 -3.579 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.506 3.799 -2.972 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -8.678 5.509 -1.262 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -9.711 6.684 -2.051 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -11.578 4.821 -1.679 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -10.477 4.265 -0.434 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -11.746 5.752 0.797 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -10.454 6.818 0.282 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -13.155 6.520 -1.095 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -12.694 7.840 -0.039 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -12.394 8.608 -2.217 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -10.825 8.273 -1.660 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -11.599 7.194 -2.718 1.00 15.00 H new