USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 270 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= 0.985 K(o=2.3,f=-8.4!) USER MOD Set 1.2: A 464 LYS NZ :NH3+ 151:sc= 1.31 (180deg=0) USER MOD Set 2.1: A 449 ASN : amide:sc= -0.257 K(o=0.89,f=-10!) USER MOD Set 2.2: A 452 THR OG1 : rot 151:sc= 1.15 USER MOD Set 3.1: A 447 TYR OH : rot -132:sc= 1.35 USER MOD Set 3.2: A 459 LYS NZ :NH3+ 172:sc= 1.02 (180deg=-0.0465) USER MOD Single : A 433 SER OG : rot 180:sc= 0 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+ -167:sc= -0.0507 (180deg=-0.29) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 TYR OH : rot 30:sc= -0.0948 USER MOD Single : A 448 TYR OH : rot 180:sc= -0.0689 USER MOD Single : A 450 ASN : amide:sc= 1.06 K(o=1.1,f=-0.1) USER MOD Single : A 455 SER OG : rot -111:sc= -0.47 USER MOD Single : A 456 THR OG1 : rot 25:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 432 4.939 11.569 -7.521 1.00 15.00 N ATOM 2 CA VAL A 432 4.625 10.226 -8.057 1.00 15.00 C ATOM 3 C VAL A 432 3.930 9.369 -6.996 1.00 15.00 C ATOM 4 O VAL A 432 4.320 9.366 -5.826 1.00 15.00 O ATOM 5 CB VAL A 432 5.903 9.514 -8.568 1.00 15.00 C ATOM 6 CG1 VAL A 432 6.930 9.359 -7.456 1.00 15.00 C ATOM 7 CG2 VAL A 432 5.567 8.164 -9.184 1.00 15.00 C ATOM 0 HA VAL A 432 3.947 10.356 -8.901 1.00 15.00 H new ATOM 0 HB VAL A 432 6.342 10.141 -9.344 1.00 15.00 H new ATOM 0 HG11 VAL A 432 7.815 8.856 -7.846 1.00 15.00 H new ATOM 0 HG12 VAL A 432 7.208 10.343 -7.078 1.00 15.00 H new ATOM 0 HG13 VAL A 432 6.503 8.767 -6.646 1.00 15.00 H new ATOM 0 HG21 VAL A 432 6.482 7.686 -9.534 1.00 15.00 H new ATOM 0 HG22 VAL A 432 5.091 7.531 -8.435 1.00 15.00 H new ATOM 0 HG23 VAL A 432 4.887 8.306 -10.024 1.00 15.00 H new ATOM 17 N SER A 433 2.887 8.662 -7.404 1.00 15.00 N ATOM 18 CA SER A 433 2.172 7.770 -6.507 1.00 15.00 C ATOM 19 C SER A 433 2.761 6.366 -6.592 1.00 15.00 C ATOM 20 O SER A 433 2.504 5.629 -7.543 1.00 15.00 O ATOM 21 CB SER A 433 0.681 7.746 -6.856 1.00 15.00 C ATOM 22 OG SER A 433 0.149 9.060 -6.908 1.00 15.00 O ATOM 0 H SER A 433 2.517 8.690 -8.354 1.00 15.00 H new ATOM 0 HA SER A 433 2.280 8.136 -5.486 1.00 15.00 H new ATOM 0 HB2 SER A 433 0.537 7.253 -7.818 1.00 15.00 H new ATOM 0 HB3 SER A 433 0.140 7.160 -6.113 1.00 15.00 H new ATOM 0 HG SER A 433 -0.804 9.019 -7.134 1.00 15.00 H new ATOM 28 N GLU A 434 3.576 6.009 -5.611 1.00 15.00 N ATOM 29 CA GLU A 434 4.274 4.731 -5.633 1.00 15.00 C ATOM 30 C GLU A 434 3.627 3.734 -4.677 1.00 15.00 C ATOM 31 O GLU A 434 4.307 2.893 -4.086 1.00 15.00 O ATOM 32 CB GLU A 434 5.749 4.932 -5.276 1.00 15.00 C ATOM 33 CG GLU A 434 6.661 4.839 -6.489 1.00 15.00 C ATOM 34 CD GLU A 434 8.132 4.854 -6.135 1.00 15.00 C ATOM 35 OE1 GLU A 434 8.650 3.802 -5.710 1.00 15.00 O ATOM 36 OE2 GLU A 434 8.783 5.904 -6.312 1.00 15.00 O1- ATOM 0 H GLU A 434 3.771 6.584 -4.791 1.00 15.00 H new ATOM 0 HA GLU A 434 4.205 4.322 -6.641 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.876 5.907 -4.805 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.047 4.182 -4.543 1.00 15.00 H new ATOM 0 HG2 GLU A 434 6.435 3.923 -7.035 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.447 5.671 -7.160 1.00 15.00 H new ATOM 43 N TRP A 435 2.304 3.794 -4.577 1.00 15.00 N ATOM 44 CA TRP A 435 1.561 2.873 -3.726 1.00 15.00 C ATOM 45 C TRP A 435 1.171 1.633 -4.519 1.00 15.00 C ATOM 46 O TRP A 435 0.430 1.718 -5.500 1.00 15.00 O ATOM 47 CB TRP A 435 0.287 3.526 -3.186 1.00 15.00 C ATOM 48 CG TRP A 435 0.524 4.725 -2.322 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.471 6.033 -2.707 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.837 4.729 -0.922 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.735 6.849 -1.636 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.963 6.074 -0.528 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.027 3.728 0.036 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.266 6.443 0.780 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.327 4.094 1.334 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.443 5.442 1.696 1.00 15.00 C ATOM 0 H TRP A 435 1.725 4.470 -5.074 1.00 15.00 H new ATOM 0 HA TRP A 435 2.205 2.601 -2.890 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -0.341 3.818 -4.027 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -0.271 2.786 -2.613 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.253 6.376 -3.708 1.00 15.00 H new ATOM 0 HE1 TRP A 435 0.758 7.868 -1.660 1.00 15.00 H new ATOM 0 HE3 TRP A 435 0.941 2.686 -0.234 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.358 7.482 1.061 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.474 3.328 2.081 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.677 5.697 2.719 1.00 15.00 H new ATOM 67 N THR A 436 1.679 0.488 -4.100 1.00 15.00 N ATOM 68 CA THR A 436 1.375 -0.764 -4.764 1.00 15.00 C ATOM 69 C THR A 436 0.614 -1.691 -3.820 1.00 15.00 C ATOM 70 O THR A 436 0.928 -1.773 -2.633 1.00 15.00 O ATOM 71 CB THR A 436 2.667 -1.440 -5.251 1.00 15.00 C ATOM 72 OG1 THR A 436 3.494 -0.456 -5.887 1.00 15.00 O ATOM 73 CG2 THR A 436 2.360 -2.558 -6.235 1.00 15.00 C ATOM 0 H THR A 436 2.306 0.401 -3.300 1.00 15.00 H new ATOM 0 HA THR A 436 0.747 -0.555 -5.630 1.00 15.00 H new ATOM 0 HB THR A 436 3.183 -1.873 -4.394 1.00 15.00 H new ATOM 0 HG1 THR A 436 4.322 -0.877 -6.200 1.00 15.00 H new ATOM 0 HG21 THR A 436 3.291 -3.019 -6.564 1.00 15.00 H new ATOM 0 HG22 THR A 436 1.735 -3.308 -5.750 1.00 15.00 H new ATOM 0 HG23 THR A 436 1.833 -2.149 -7.097 1.00 15.00 H new ATOM 81 N GLU A 437 -0.393 -2.371 -4.347 1.00 15.00 N ATOM 82 CA GLU A 437 -1.268 -3.202 -3.535 1.00 15.00 C ATOM 83 C GLU A 437 -0.727 -4.625 -3.448 1.00 15.00 C ATOM 84 O GLU A 437 -0.589 -5.310 -4.464 1.00 15.00 O ATOM 85 CB GLU A 437 -2.673 -3.187 -4.135 1.00 15.00 C ATOM 86 CG GLU A 437 -3.710 -3.971 -3.351 1.00 15.00 C ATOM 87 CD GLU A 437 -5.084 -3.880 -3.983 1.00 15.00 C ATOM 88 OE1 GLU A 437 -5.362 -4.659 -4.918 1.00 15.00 O1- ATOM 89 OE2 GLU A 437 -5.882 -3.013 -3.565 1.00 15.00 O ATOM 0 H GLU A 437 -0.625 -2.363 -5.340 1.00 15.00 H new ATOM 0 HA GLU A 437 -1.310 -2.803 -2.522 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -3.006 -2.152 -4.217 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.624 -3.588 -5.147 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -3.406 -5.016 -3.292 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -3.755 -3.593 -2.329 1.00 15.00 H new ATOM 96 N ARG A 438 -0.406 -5.062 -2.240 1.00 15.00 N ATOM 97 CA ARG A 438 0.147 -6.391 -2.037 1.00 15.00 C ATOM 98 C ARG A 438 -0.709 -7.192 -1.062 1.00 15.00 C ATOM 99 O ARG A 438 -0.935 -6.781 0.080 1.00 15.00 O ATOM 100 CB ARG A 438 1.589 -6.301 -1.529 1.00 15.00 C ATOM 101 CG ARG A 438 2.245 -7.659 -1.330 1.00 15.00 C ATOM 102 CD ARG A 438 3.712 -7.530 -0.961 1.00 15.00 C ATOM 103 NE ARG A 438 4.328 -8.837 -0.726 1.00 15.00 N ATOM 104 CZ ARG A 438 5.540 -9.187 -1.164 1.00 15.00 C ATOM 105 NH1 ARG A 438 6.283 -8.327 -1.853 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 6.007 -10.405 -0.920 1.00 15.00 N ATOM 0 H ARG A 438 -0.519 -4.516 -1.386 1.00 15.00 H new ATOM 0 HA ARG A 438 0.147 -6.908 -2.997 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.180 -5.720 -2.237 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.600 -5.758 -0.584 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.720 -8.204 -0.546 1.00 15.00 H new ATOM 0 HG3 ARG A 438 2.151 -8.245 -2.244 1.00 15.00 H new ATOM 0 HD2 ARG A 438 4.245 -7.015 -1.761 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.809 -6.915 -0.066 1.00 15.00 H new ATOM 0 HE ARG A 438 3.797 -9.525 -0.193 1.00 15.00 H new ATOM 0 HH11 ARG A 438 5.929 -7.391 -2.051 1.00 15.00 H new ATOM 0 HH12 ARG A 438 7.208 -8.603 -2.184 1.00 15.00 H new ATOM 0 HH21 ARG A 438 5.440 -11.073 -0.398 1.00 15.00 H new ATOM 0 HH22 ARG A 438 6.933 -10.673 -1.254 1.00 15.00 H new ATOM 120 N LYS A 439 -1.174 -8.340 -1.521 1.00 15.00 N ATOM 121 CA LYS A 439 -2.011 -9.213 -0.713 1.00 15.00 C ATOM 122 C LYS A 439 -1.169 -10.341 -0.130 1.00 15.00 C ATOM 123 O LYS A 439 -0.548 -11.104 -0.871 1.00 15.00 O ATOM 124 CB LYS A 439 -3.132 -9.790 -1.580 1.00 15.00 C ATOM 125 CG LYS A 439 -3.963 -8.724 -2.278 1.00 15.00 C ATOM 126 CD LYS A 439 -4.852 -9.315 -3.360 1.00 15.00 C ATOM 127 CE LYS A 439 -5.845 -10.314 -2.794 1.00 15.00 C ATOM 128 NZ LYS A 439 -6.701 -10.902 -3.856 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.984 -8.693 -2.459 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.449 -8.641 0.105 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.698 -10.451 -2.330 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -3.786 -10.400 -0.957 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.580 -8.207 -1.544 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.301 -7.979 -2.719 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.391 -8.513 -3.865 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.233 -9.805 -4.111 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -5.307 -11.110 -2.279 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -6.473 -9.822 -2.052 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -7.366 -11.579 -3.431 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -7.234 -10.146 -4.331 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.104 -11.394 -4.551 1.00 15.00 H new ATOM 142 N THR A 440 -1.132 -10.438 1.190 1.00 15.00 N ATOM 143 CA THR A 440 -0.355 -11.482 1.842 1.00 15.00 C ATOM 144 C THR A 440 -1.255 -12.653 2.235 1.00 15.00 C ATOM 145 O THR A 440 -2.444 -12.467 2.524 1.00 15.00 O ATOM 146 CB THR A 440 0.401 -10.945 3.078 1.00 15.00 C ATOM 147 OG1 THR A 440 1.305 -11.936 3.576 1.00 15.00 O ATOM 148 CG2 THR A 440 -0.557 -10.535 4.186 1.00 15.00 C ATOM 0 H THR A 440 -1.626 -9.813 1.827 1.00 15.00 H new ATOM 0 HA THR A 440 0.389 -11.833 1.127 1.00 15.00 H new ATOM 0 HB THR A 440 0.958 -10.063 2.762 1.00 15.00 H new ATOM 0 HG1 THR A 440 1.779 -11.583 4.358 1.00 15.00 H new ATOM 0 HG21 THR A 440 0.011 -10.163 5.039 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.221 -9.751 3.822 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.149 -11.397 4.493 1.00 15.00 H new ATOM 156 N ALA A 441 -0.677 -13.856 2.254 1.00 15.00 N ATOM 157 CA ALA A 441 -1.434 -15.079 2.502 1.00 15.00 C ATOM 158 C ALA A 441 -1.957 -15.128 3.934 1.00 15.00 C ATOM 159 O ALA A 441 -2.837 -15.928 4.252 1.00 15.00 O ATOM 160 CB ALA A 441 -0.574 -16.300 2.206 1.00 15.00 C ATOM 0 H ALA A 441 0.320 -14.007 2.099 1.00 15.00 H new ATOM 0 HA ALA A 441 -2.295 -15.083 1.834 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -1.150 -17.206 2.395 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -0.261 -16.280 1.162 1.00 15.00 H new ATOM 0 HB3 ALA A 441 0.306 -16.290 2.849 1.00 15.00 H new ATOM 166 N ASP A 442 -1.419 -14.262 4.791 1.00 15.00 N ATOM 167 CA ASP A 442 -1.901 -14.135 6.166 1.00 15.00 C ATOM 168 C ASP A 442 -3.368 -13.703 6.172 1.00 15.00 C ATOM 169 O ASP A 442 -4.093 -13.923 7.141 1.00 15.00 O ATOM 170 CB ASP A 442 -1.044 -13.130 6.947 1.00 15.00 C ATOM 171 CG ASP A 442 -1.414 -13.047 8.417 1.00 15.00 C ATOM 172 OD1 ASP A 442 -1.115 -14.003 9.165 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -1.990 -12.020 8.835 1.00 15.00 O ATOM 0 H ASP A 442 -0.648 -13.637 4.557 1.00 15.00 H new ATOM 0 HA ASP A 442 -1.820 -15.106 6.654 1.00 15.00 H new ATOM 0 HB2 ASP A 442 0.006 -13.410 6.858 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -1.150 -12.143 6.496 1.00 15.00 H new ATOM 178 N GLY A 443 -3.798 -13.102 5.067 1.00 15.00 N ATOM 179 CA GLY A 443 -5.172 -12.668 4.937 1.00 15.00 C ATOM 180 C GLY A 443 -5.302 -11.168 5.049 1.00 15.00 C ATOM 181 O GLY A 443 -6.307 -10.662 5.546 1.00 15.00 O ATOM 0 H GLY A 443 -3.212 -12.908 4.255 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -5.567 -12.996 3.975 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -5.777 -13.143 5.709 1.00 15.00 H new ATOM 185 N LYS A 444 -4.286 -10.450 4.585 1.00 15.00 N ATOM 186 CA LYS A 444 -4.285 -8.996 4.673 1.00 15.00 C ATOM 187 C LYS A 444 -3.822 -8.371 3.366 1.00 15.00 C ATOM 188 O LYS A 444 -2.845 -8.811 2.760 1.00 15.00 O ATOM 189 CB LYS A 444 -3.388 -8.515 5.815 1.00 15.00 C ATOM 190 CG LYS A 444 -3.799 -9.039 7.180 1.00 15.00 C ATOM 191 CD LYS A 444 -3.003 -8.389 8.296 1.00 15.00 C ATOM 192 CE LYS A 444 -3.430 -8.909 9.660 1.00 15.00 C ATOM 193 NZ LYS A 444 -4.873 -8.667 9.930 1.00 15.00 N1+ ATOM 0 H LYS A 444 -3.456 -10.849 4.146 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.310 -8.682 4.872 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -2.362 -8.822 5.612 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -3.397 -7.425 5.837 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -4.862 -8.853 7.336 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -3.656 -10.119 7.213 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -1.941 -8.583 8.148 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -3.138 -7.308 8.259 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -3.226 -9.978 9.719 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -2.832 -8.427 10.434 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -5.070 -8.832 10.938 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -5.112 -7.684 9.687 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -5.447 -9.315 9.354 1.00 15.00 H new ATOM 207 N THR A 445 -4.523 -7.335 2.953 1.00 15.00 N ATOM 208 CA THR A 445 -4.175 -6.593 1.755 1.00 15.00 C ATOM 209 C THR A 445 -3.629 -5.222 2.140 1.00 15.00 C ATOM 210 O THR A 445 -4.374 -4.365 2.613 1.00 15.00 O ATOM 211 CB THR A 445 -5.407 -6.430 0.843 1.00 15.00 C ATOM 212 OG1 THR A 445 -6.022 -7.712 0.636 1.00 15.00 O ATOM 213 CG2 THR A 445 -5.019 -5.820 -0.495 1.00 15.00 C ATOM 0 H THR A 445 -5.349 -6.983 3.436 1.00 15.00 H new ATOM 0 HA THR A 445 -3.411 -7.147 1.209 1.00 15.00 H new ATOM 0 HB THR A 445 -6.113 -5.757 1.330 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.806 -7.609 0.058 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.907 -5.716 -1.119 1.00 15.00 H new ATOM 0 HG22 THR A 445 -4.573 -4.839 -0.332 1.00 15.00 H new ATOM 0 HG23 THR A 445 -4.298 -6.467 -0.995 1.00 15.00 H new ATOM 221 N TYR A 446 -2.331 -5.018 1.960 1.00 15.00 N ATOM 222 CA TYR A 446 -1.705 -3.772 2.379 1.00 15.00 C ATOM 223 C TYR A 446 -1.034 -3.075 1.206 1.00 15.00 C ATOM 224 O TYR A 446 -0.555 -3.719 0.272 1.00 15.00 O ATOM 225 CB TYR A 446 -0.697 -4.013 3.512 1.00 15.00 C ATOM 226 CG TYR A 446 0.447 -4.946 3.173 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.328 -6.313 3.372 1.00 15.00 C ATOM 228 CD2 TYR A 446 1.652 -4.455 2.680 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.375 -7.168 3.090 1.00 15.00 C ATOM 230 CE2 TYR A 446 2.702 -5.306 2.391 1.00 15.00 C ATOM 231 CZ TYR A 446 2.558 -6.663 2.600 1.00 15.00 C ATOM 232 OH TYR A 446 3.600 -7.518 2.322 1.00 15.00 O ATOM 0 H TYR A 446 -1.697 -5.692 1.531 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.492 -3.119 2.757 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.282 -3.052 3.818 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -1.231 -4.417 4.372 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.599 -6.716 3.754 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.769 -3.393 2.521 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.266 -8.230 3.253 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.630 -4.912 2.004 1.00 15.00 H new ATOM 0 HH TYR A 446 3.244 -8.393 2.061 1.00 15.00 H new ATOM 242 N TYR A 447 -0.990 -1.757 1.279 1.00 15.00 N ATOM 243 CA TYR A 447 -0.422 -0.943 0.222 1.00 15.00 C ATOM 244 C TYR A 447 0.973 -0.486 0.605 1.00 15.00 C ATOM 245 O TYR A 447 1.159 0.213 1.602 1.00 15.00 O ATOM 246 CB TYR A 447 -1.324 0.257 -0.057 1.00 15.00 C ATOM 247 CG TYR A 447 -2.721 -0.150 -0.459 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.681 -0.458 0.500 1.00 15.00 C ATOM 249 CD2 TYR A 447 -3.070 -0.258 -1.795 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.949 -0.855 0.133 1.00 15.00 C ATOM 251 CE2 TYR A 447 -4.334 -0.660 -2.168 1.00 15.00 C ATOM 252 CZ TYR A 447 -5.269 -0.956 -1.201 1.00 15.00 C ATOM 253 OH TYR A 447 -6.521 -1.370 -1.575 1.00 15.00 O ATOM 0 H TYR A 447 -1.346 -1.223 2.071 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.350 -1.541 -0.686 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.374 0.884 0.833 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.883 0.862 -0.849 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.429 -0.385 1.548 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -2.340 -0.024 -2.556 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.686 -1.085 0.888 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -4.590 -0.743 -3.214 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.444 -2.070 -2.257 1.00 15.00 H new ATOM 263 N TYR A 448 1.948 -0.901 -0.180 1.00 15.00 N ATOM 264 CA TYR A 448 3.333 -0.576 0.084 1.00 15.00 C ATOM 265 C TYR A 448 3.795 0.553 -0.830 1.00 15.00 C ATOM 266 O TYR A 448 3.750 0.432 -2.056 1.00 15.00 O ATOM 267 CB TYR A 448 4.203 -1.820 -0.121 1.00 15.00 C ATOM 268 CG TYR A 448 5.672 -1.606 0.175 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.117 -1.402 1.476 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.615 -1.620 -0.844 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.458 -1.216 1.751 1.00 15.00 C ATOM 272 CE2 TYR A 448 7.959 -1.434 -0.577 1.00 15.00 C ATOM 273 CZ TYR A 448 8.373 -1.234 0.724 1.00 15.00 C ATOM 274 OH TYR A 448 9.709 -1.056 0.998 1.00 15.00 O ATOM 0 H TYR A 448 1.802 -1.470 -1.014 1.00 15.00 H new ATOM 0 HA TYR A 448 3.430 -0.242 1.117 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.828 -2.621 0.517 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.097 -2.158 -1.152 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.402 -1.389 2.286 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.293 -1.779 -1.863 1.00 15.00 H new ATOM 0 HE1 TYR A 448 7.786 -1.057 2.768 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.680 -1.445 -1.381 1.00 15.00 H new ATOM 0 HH TYR A 448 10.222 -1.097 0.164 1.00 15.00 H new ATOM 284 N ASN A 449 4.207 1.657 -0.230 1.00 15.00 N ATOM 285 CA ASN A 449 4.788 2.756 -0.980 1.00 15.00 C ATOM 286 C ASN A 449 6.289 2.551 -1.067 1.00 15.00 C ATOM 287 O ASN A 449 6.980 2.595 -0.053 1.00 15.00 O ATOM 288 CB ASN A 449 4.492 4.098 -0.314 1.00 15.00 C ATOM 289 CG ASN A 449 4.892 5.272 -1.186 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.050 5.662 -1.227 1.00 15.00 O ATOM 291 ND2 ASN A 449 3.930 5.856 -1.879 1.00 15.00 N ATOM 0 H ASN A 449 4.149 1.815 0.776 1.00 15.00 H new ATOM 0 HA ASN A 449 4.348 2.771 -1.977 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.428 4.162 -0.088 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.024 4.155 0.636 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.143 6.658 -2.472 1.00 15.00 H new ATOM 0 HD22 ASN A 449 2.974 5.504 -1.821 1.00 15.00 H new ATOM 298 N ASN A 450 6.784 2.318 -2.272 1.00 15.00 N ATOM 299 CA ASN A 450 8.198 2.019 -2.480 1.00 15.00 C ATOM 300 C ASN A 450 9.043 3.292 -2.419 1.00 15.00 C ATOM 301 O ASN A 450 10.272 3.241 -2.355 1.00 15.00 O ATOM 302 CB ASN A 450 8.375 1.297 -3.824 1.00 15.00 C ATOM 303 CG ASN A 450 9.821 0.976 -4.156 1.00 15.00 C ATOM 304 OD1 ASN A 450 10.348 -0.059 -3.750 1.00 15.00 O ATOM 305 ND2 ASN A 450 10.462 1.848 -4.917 1.00 15.00 N ATOM 0 H ASN A 450 6.227 2.330 -3.127 1.00 15.00 H new ATOM 0 HA ASN A 450 8.545 1.364 -1.680 1.00 15.00 H new ATOM 0 HB2 ASN A 450 7.801 0.371 -3.808 1.00 15.00 H new ATOM 0 HB3 ASN A 450 7.958 1.917 -4.618 1.00 15.00 H new ATOM 0 HD21 ASN A 450 11.430 1.674 -5.188 1.00 15.00 H new ATOM 0 HD22 ASN A 450 9.988 2.694 -5.233 1.00 15.00 H new ATOM 312 N ARG A 451 8.378 4.438 -2.419 1.00 15.00 N ATOM 313 CA ARG A 451 9.068 5.719 -2.410 1.00 15.00 C ATOM 314 C ARG A 451 9.409 6.150 -0.981 1.00 15.00 C ATOM 315 O ARG A 451 10.377 6.880 -0.756 1.00 15.00 O ATOM 316 CB ARG A 451 8.208 6.778 -3.113 1.00 15.00 C ATOM 317 CG ARG A 451 8.843 8.156 -3.190 1.00 15.00 C ATOM 318 CD ARG A 451 10.107 8.135 -4.031 1.00 15.00 C ATOM 319 NE ARG A 451 10.651 9.475 -4.251 1.00 15.00 N ATOM 320 CZ ARG A 451 11.478 9.777 -5.251 1.00 15.00 C ATOM 321 NH1 ARG A 451 11.849 8.835 -6.106 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 11.940 11.013 -5.395 1.00 15.00 N ATOM 0 H ARG A 451 7.360 4.507 -2.425 1.00 15.00 H new ATOM 0 HA ARG A 451 10.007 5.614 -2.953 1.00 15.00 H new ATOM 0 HB2 ARG A 451 7.988 6.436 -4.124 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.255 6.860 -2.590 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.132 8.863 -3.617 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.078 8.507 -2.185 1.00 15.00 H new ATOM 0 HD2 ARG A 451 10.858 7.517 -3.539 1.00 15.00 H new ATOM 0 HD3 ARG A 451 9.893 7.670 -4.993 1.00 15.00 H new ATOM 0 HE ARG A 451 10.383 10.217 -3.605 1.00 15.00 H new ATOM 0 HH11 ARG A 451 11.502 7.882 -5.997 1.00 15.00 H new ATOM 0 HH12 ARG A 451 12.482 9.063 -6.873 1.00 15.00 H new ATOM 0 HH21 ARG A 451 11.662 11.741 -4.737 1.00 15.00 H new ATOM 0 HH22 ARG A 451 12.573 11.235 -6.164 1.00 15.00 H new ATOM 336 N THR A 452 8.604 5.718 -0.016 1.00 15.00 N ATOM 337 CA THR A 452 8.849 6.051 1.384 1.00 15.00 C ATOM 338 C THR A 452 8.979 4.799 2.252 1.00 15.00 C ATOM 339 O THR A 452 9.237 4.897 3.454 1.00 15.00 O ATOM 340 CB THR A 452 7.730 6.952 1.948 1.00 15.00 C ATOM 341 OG1 THR A 452 6.444 6.375 1.686 1.00 15.00 O ATOM 342 CG2 THR A 452 7.796 8.347 1.346 1.00 15.00 C ATOM 0 H THR A 452 7.780 5.139 -0.176 1.00 15.00 H new ATOM 0 HA THR A 452 9.794 6.593 1.414 1.00 15.00 H new ATOM 0 HB THR A 452 7.877 7.031 3.025 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.814 6.649 2.385 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.996 8.961 1.761 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.760 8.799 1.581 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.680 8.282 0.264 1.00 15.00 H new ATOM 350 N LEU A 453 8.799 3.626 1.632 1.00 15.00 N ATOM 351 CA LEU A 453 8.901 2.333 2.325 1.00 15.00 C ATOM 352 C LEU A 453 7.772 2.167 3.343 1.00 15.00 C ATOM 353 O LEU A 453 7.865 1.358 4.267 1.00 15.00 O ATOM 354 CB LEU A 453 10.267 2.175 3.017 1.00 15.00 C ATOM 355 CG LEU A 453 11.435 1.784 2.103 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.770 2.896 1.120 1.00 15.00 C ATOM 357 CD2 LEU A 453 12.655 1.427 2.937 1.00 15.00 C ATOM 0 H LEU A 453 8.579 3.545 0.639 1.00 15.00 H new ATOM 0 HA LEU A 453 8.808 1.551 1.571 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.515 3.115 3.510 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.173 1.421 3.798 1.00 15.00 H new ATOM 0 HG LEU A 453 11.132 0.912 1.524 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.602 2.585 0.488 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.900 3.106 0.497 1.00 15.00 H new ATOM 0 HD13 LEU A 453 12.048 3.796 1.669 1.00 15.00 H new ATOM 0 HD21 LEU A 453 13.478 1.151 2.278 1.00 15.00 H new ATOM 0 HD22 LEU A 453 12.946 2.286 3.542 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.416 0.588 3.590 1.00 15.00 H new ATOM 369 N GLU A 454 6.678 2.883 3.125 1.00 15.00 N ATOM 370 CA GLU A 454 5.571 2.889 4.077 1.00 15.00 C ATOM 371 C GLU A 454 4.483 1.898 3.676 1.00 15.00 C ATOM 372 O GLU A 454 3.996 1.919 2.547 1.00 15.00 O ATOM 373 CB GLU A 454 4.976 4.291 4.193 1.00 15.00 C ATOM 374 CG GLU A 454 5.951 5.322 4.726 1.00 15.00 C ATOM 375 CD GLU A 454 5.319 6.685 4.894 1.00 15.00 C ATOM 376 OE1 GLU A 454 5.129 7.388 3.880 1.00 15.00 O ATOM 377 OE2 GLU A 454 5.021 7.066 6.047 1.00 15.00 O1- ATOM 0 H GLU A 454 6.531 3.466 2.301 1.00 15.00 H new ATOM 0 HA GLU A 454 5.969 2.584 5.045 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.624 4.609 3.212 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.105 4.254 4.848 1.00 15.00 H new ATOM 0 HG2 GLU A 454 6.342 4.985 5.686 1.00 15.00 H new ATOM 0 HG3 GLU A 454 6.800 5.400 4.046 1.00 15.00 H new ATOM 384 N SER A 455 4.104 1.037 4.612 1.00 15.00 N ATOM 385 CA SER A 455 3.026 0.088 4.389 1.00 15.00 C ATOM 386 C SER A 455 1.763 0.542 5.119 1.00 15.00 C ATOM 387 O SER A 455 1.778 0.745 6.334 1.00 15.00 O ATOM 388 CB SER A 455 3.445 -1.301 4.873 1.00 15.00 C ATOM 389 OG SER A 455 4.678 -1.693 4.290 1.00 15.00 O ATOM 0 H SER A 455 4.531 0.978 5.536 1.00 15.00 H new ATOM 0 HA SER A 455 2.813 0.041 3.321 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.537 -1.299 5.959 1.00 15.00 H new ATOM 0 HB3 SER A 455 2.672 -2.027 4.620 1.00 15.00 H new ATOM 0 HG SER A 455 4.523 -2.429 3.662 1.00 15.00 H new ATOM 395 N THR A 456 0.683 0.718 4.372 1.00 15.00 N ATOM 396 CA THR A 456 -0.589 1.118 4.953 1.00 15.00 C ATOM 397 C THR A 456 -1.610 -0.013 4.810 1.00 15.00 C ATOM 398 O THR A 456 -1.581 -0.766 3.832 1.00 15.00 O ATOM 399 CB THR A 456 -1.117 2.423 4.299 1.00 15.00 C ATOM 400 OG1 THR A 456 -2.362 2.829 4.883 1.00 15.00 O ATOM 401 CG2 THR A 456 -1.297 2.258 2.798 1.00 15.00 C ATOM 0 H THR A 456 0.663 0.590 3.360 1.00 15.00 H new ATOM 0 HA THR A 456 -0.435 1.319 6.013 1.00 15.00 H new ATOM 0 HB THR A 456 -0.369 3.194 4.482 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.431 2.466 5.791 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.668 3.190 2.371 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.339 2.006 2.342 1.00 15.00 H new ATOM 0 HG23 THR A 456 -2.013 1.460 2.603 1.00 15.00 H new ATOM 409 N TRP A 457 -2.494 -0.143 5.790 1.00 15.00 N ATOM 410 CA TRP A 457 -3.456 -1.237 5.807 1.00 15.00 C ATOM 411 C TRP A 457 -4.804 -0.758 5.277 1.00 15.00 C ATOM 412 O TRP A 457 -5.763 -1.527 5.177 1.00 15.00 O ATOM 413 CB TRP A 457 -3.612 -1.781 7.231 1.00 15.00 C ATOM 414 CG TRP A 457 -2.334 -2.309 7.815 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.533 -1.688 8.734 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.707 -3.561 7.517 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.451 -2.483 9.028 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.535 -3.636 8.292 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.025 -4.629 6.673 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.319 -4.734 8.246 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.174 -5.718 6.628 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.015 -5.763 7.409 1.00 15.00 C ATOM 0 H TRP A 457 -2.565 0.495 6.583 1.00 15.00 H new ATOM 0 HA TRP A 457 -3.089 -2.037 5.164 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.996 -0.989 7.874 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.356 -2.577 7.228 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.723 -0.716 9.165 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.293 -2.252 9.687 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -2.919 -4.604 6.067 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.214 -4.772 8.850 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.409 -6.548 5.978 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.629 -6.628 7.350 1.00 15.00 H new ATOM 433 N GLU A 458 -4.858 0.521 4.942 1.00 15.00 N ATOM 434 CA GLU A 458 -6.064 1.146 4.429 1.00 15.00 C ATOM 435 C GLU A 458 -5.788 1.754 3.062 1.00 15.00 C ATOM 436 O GLU A 458 -4.644 2.065 2.737 1.00 15.00 O ATOM 437 CB GLU A 458 -6.571 2.220 5.401 1.00 15.00 C ATOM 438 CG GLU A 458 -5.482 3.116 5.989 1.00 15.00 C ATOM 439 CD GLU A 458 -4.788 2.493 7.190 1.00 15.00 C ATOM 440 OE1 GLU A 458 -5.402 2.449 8.276 1.00 15.00 O ATOM 441 OE2 GLU A 458 -3.625 2.048 7.064 1.00 15.00 O1- ATOM 0 H GLU A 458 -4.063 1.156 5.019 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.839 0.386 4.329 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.297 2.846 4.882 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -7.100 1.730 6.219 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -4.741 3.332 5.219 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -5.922 4.069 6.284 1.00 15.00 H new ATOM 448 N LYS A 459 -6.837 1.921 2.269 1.00 15.00 N ATOM 449 CA LYS A 459 -6.696 2.457 0.918 1.00 15.00 C ATOM 450 C LYS A 459 -6.273 3.924 0.942 1.00 15.00 C ATOM 451 O LYS A 459 -6.987 4.778 1.472 1.00 15.00 O ATOM 452 CB LYS A 459 -8.003 2.308 0.137 1.00 15.00 C ATOM 453 CG LYS A 459 -8.394 0.866 -0.125 1.00 15.00 C ATOM 454 CD LYS A 459 -9.707 0.771 -0.887 1.00 15.00 C ATOM 455 CE LYS A 459 -10.158 -0.673 -1.048 1.00 15.00 C ATOM 456 NZ LYS A 459 -9.183 -1.488 -1.820 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.795 1.694 2.535 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.915 1.882 0.420 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -8.804 2.798 0.690 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -7.908 2.829 -0.816 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.606 0.372 -0.694 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -8.483 0.335 0.823 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -10.476 1.336 -0.360 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -9.592 1.229 -1.870 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -10.301 -1.118 -0.063 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -11.125 -0.695 -1.551 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -9.465 -2.489 -1.788 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -9.166 -1.165 -2.808 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -8.236 -1.382 -1.404 1.00 15.00 H new ATOM 470 N PRO A 460 -5.099 4.222 0.364 1.00 15.00 N ATOM 471 CA PRO A 460 -4.585 5.593 0.249 1.00 15.00 C ATOM 472 C PRO A 460 -5.506 6.469 -0.591 1.00 15.00 C ATOM 473 O PRO A 460 -6.216 5.978 -1.474 1.00 15.00 O ATOM 474 CB PRO A 460 -3.225 5.413 -0.440 1.00 15.00 C ATOM 475 CG PRO A 460 -3.290 4.078 -1.094 1.00 15.00 C ATOM 476 CD PRO A 460 -4.172 3.239 -0.222 1.00 15.00 C ATOM 0 HA PRO A 460 -4.513 6.092 1.216 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.047 6.201 -1.172 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.409 5.458 0.282 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -3.697 4.156 -2.102 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.297 3.638 -1.184 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.701 2.479 -0.797 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.600 2.717 0.546 1.00 15.00 H new ATOM 484 N GLN A 461 -5.466 7.768 -0.328 1.00 15.00 N ATOM 485 CA GLN A 461 -6.364 8.726 -0.969 1.00 15.00 C ATOM 486 C GLN A 461 -6.245 8.702 -2.496 1.00 15.00 C ATOM 487 O GLN A 461 -7.214 8.970 -3.202 1.00 15.00 O ATOM 488 CB GLN A 461 -6.086 10.140 -0.449 1.00 15.00 C ATOM 489 CG GLN A 461 -7.078 11.183 -0.937 1.00 15.00 C ATOM 490 CD GLN A 461 -8.481 10.938 -0.418 1.00 15.00 C ATOM 491 OE1 GLN A 461 -8.667 10.406 0.677 1.00 15.00 O ATOM 492 NE2 GLN A 461 -9.479 11.308 -1.201 1.00 15.00 N ATOM 0 H GLN A 461 -4.813 8.189 0.333 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.382 8.433 -0.714 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.097 10.124 0.641 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.082 10.437 -0.753 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -6.745 12.172 -0.622 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.092 11.184 -2.027 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -9.285 11.746 -2.102 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -10.443 11.156 -0.905 1.00 15.00 H new ATOM 501 N GLU A 462 -5.059 8.396 -3.002 1.00 15.00 N ATOM 502 CA GLU A 462 -4.825 8.387 -4.441 1.00 15.00 C ATOM 503 C GLU A 462 -5.203 7.045 -5.073 1.00 15.00 C ATOM 504 O GLU A 462 -5.139 6.885 -6.293 1.00 15.00 O ATOM 505 CB GLU A 462 -3.364 8.736 -4.767 1.00 15.00 C ATOM 506 CG GLU A 462 -2.324 7.916 -4.011 1.00 15.00 C ATOM 507 CD GLU A 462 -2.031 8.462 -2.626 1.00 15.00 C ATOM 508 OE1 GLU A 462 -2.800 8.170 -1.692 1.00 15.00 O ATOM 509 OE2 GLU A 462 -1.024 9.185 -2.474 1.00 15.00 O1- ATOM 0 H GLU A 462 -4.244 8.151 -2.439 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.471 9.152 -4.872 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -3.204 8.602 -5.837 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -3.201 9.792 -4.550 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.674 6.887 -3.923 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -1.400 7.890 -4.588 1.00 15.00 H new ATOM 516 N LEU A 463 -5.590 6.081 -4.247 1.00 15.00 N ATOM 517 CA LEU A 463 -6.040 4.778 -4.738 1.00 15.00 C ATOM 518 C LEU A 463 -7.496 4.539 -4.363 1.00 15.00 C ATOM 519 O LEU A 463 -8.047 3.464 -4.612 1.00 15.00 O ATOM 520 CB LEU A 463 -5.176 3.643 -4.174 1.00 15.00 C ATOM 521 CG LEU A 463 -3.882 3.340 -4.940 1.00 15.00 C ATOM 522 CD1 LEU A 463 -2.889 4.485 -4.823 1.00 15.00 C ATOM 523 CD2 LEU A 463 -3.262 2.045 -4.438 1.00 15.00 C ATOM 0 H LEU A 463 -5.602 6.174 -3.231 1.00 15.00 H new ATOM 0 HA LEU A 463 -5.942 4.785 -5.824 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -4.916 3.888 -3.144 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -5.778 2.735 -4.144 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.135 3.224 -5.994 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.983 4.239 -5.377 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.330 5.393 -5.234 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -2.641 4.646 -3.774 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.345 1.843 -4.991 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -3.033 2.139 -3.376 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.964 1.224 -4.587 1.00 15.00 H new ATOM 535 N LYS A 464 -8.113 5.548 -3.774 1.00 15.00 N ATOM 536 CA LYS A 464 -9.486 5.445 -3.317 1.00 15.00 C ATOM 537 C LYS A 464 -10.420 6.128 -4.309 1.00 15.00 C ATOM 538 O LYS A 464 -11.066 5.419 -5.107 1.00 15.00 O ATOM 539 CB LYS A 464 -9.614 6.072 -1.926 1.00 15.00 C ATOM 540 CG LYS A 464 -10.989 5.918 -1.289 1.00 15.00 C ATOM 541 CD LYS A 464 -10.993 6.466 0.130 1.00 15.00 C ATOM 542 CE LYS A 464 -10.624 7.940 0.154 1.00 15.00 C ATOM 543 NZ LYS A 464 -10.319 8.420 1.528 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.481 7.373 -4.311 1.00 15.00 O ATOM 0 H LYS A 464 -7.680 6.455 -3.600 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.769 4.394 -3.252 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -8.870 5.622 -1.268 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -9.377 7.134 -1.996 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -11.733 6.443 -1.888 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -11.274 4.866 -1.278 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -11.980 6.329 0.572 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -10.288 5.903 0.742 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -9.759 8.107 -0.488 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -11.445 8.525 -0.260 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -9.637 9.204 1.479 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -11.194 8.750 1.983 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -9.912 7.642 2.085 1.00 15.00 H new TER 558 LYS A 464