USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=14 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 449 ASN : amide:sc= 0.584! C(o=1.6!,f=-12!) USER MOD Set 1.2: A 452 THR OG1 : rot 159:sc= 0.976 USER MOD Single : A 433 SER OG : rot 49:sc= 0.293 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 170:sc= 0.637 (180deg=0.215) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 139:sc= 1.16 (180deg=0.925) USER MOD Single : A 445 THR OG1 : rot 153:sc= 0.211 USER MOD Single : A 446 TYR OH : rot 180:sc= -0.916! USER MOD Single : A 447 TYR OH : rot 30:sc= -0.621 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.019) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot 148:sc= 0.607 USER MOD Single : A 459 LYS NZ :NH3+ -140:sc= 1.21 (180deg=0.615) USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 LYS NZ :NH3+ 173:sc=-0.00391 (180deg=-0.0704) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 432 3.472 9.222 -10.501 1.00 15.00 N ATOM 2 CA VAL A 432 3.199 7.787 -10.272 1.00 15.00 C ATOM 3 C VAL A 432 2.827 7.551 -8.814 1.00 15.00 C ATOM 4 O VAL A 432 3.418 8.141 -7.909 1.00 15.00 O ATOM 5 CB VAL A 432 4.426 6.910 -10.624 1.00 15.00 C ATOM 6 CG1 VAL A 432 4.111 5.430 -10.452 1.00 15.00 C ATOM 7 CG2 VAL A 432 4.903 7.187 -12.041 1.00 15.00 C ATOM 0 HA VAL A 432 2.371 7.505 -10.922 1.00 15.00 H new ATOM 0 HB VAL A 432 5.227 7.171 -9.932 1.00 15.00 H new ATOM 0 HG11 VAL A 432 4.991 4.839 -10.706 1.00 15.00 H new ATOM 0 HG12 VAL A 432 3.830 5.236 -9.417 1.00 15.00 H new ATOM 0 HG13 VAL A 432 3.286 5.155 -11.110 1.00 15.00 H new ATOM 0 HG21 VAL A 432 5.765 6.559 -12.264 1.00 15.00 H new ATOM 0 HG22 VAL A 432 4.101 6.965 -12.745 1.00 15.00 H new ATOM 0 HG23 VAL A 432 5.185 8.236 -12.131 1.00 15.00 H new ATOM 17 N SER A 433 1.828 6.719 -8.586 1.00 15.00 N ATOM 18 CA SER A 433 1.500 6.294 -7.241 1.00 15.00 C ATOM 19 C SER A 433 2.538 5.282 -6.770 1.00 15.00 C ATOM 20 O SER A 433 2.575 4.152 -7.257 1.00 15.00 O ATOM 21 CB SER A 433 0.094 5.693 -7.207 1.00 15.00 C ATOM 22 OG SER A 433 -0.062 4.728 -8.233 1.00 15.00 O ATOM 0 H SER A 433 1.232 6.326 -9.314 1.00 15.00 H new ATOM 0 HA SER A 433 1.513 7.152 -6.569 1.00 15.00 H new ATOM 0 HB2 SER A 433 -0.086 5.232 -6.236 1.00 15.00 H new ATOM 0 HB3 SER A 433 -0.648 6.483 -7.327 1.00 15.00 H new ATOM 0 HG SER A 433 0.699 4.111 -8.220 1.00 15.00 H new ATOM 28 N GLU A 434 3.397 5.696 -5.842 1.00 15.00 N ATOM 29 CA GLU A 434 4.499 4.850 -5.389 1.00 15.00 C ATOM 30 C GLU A 434 4.008 3.771 -4.418 1.00 15.00 C ATOM 31 O GLU A 434 4.812 3.098 -3.770 1.00 15.00 O ATOM 32 CB GLU A 434 5.583 5.692 -4.709 1.00 15.00 C ATOM 33 CG GLU A 434 6.821 5.902 -5.569 1.00 15.00 C ATOM 34 CD GLU A 434 6.559 6.790 -6.769 1.00 15.00 C ATOM 35 OE1 GLU A 434 6.246 7.984 -6.574 1.00 15.00 O1- ATOM 36 OE2 GLU A 434 6.673 6.297 -7.911 1.00 15.00 O ATOM 0 H GLU A 434 3.352 6.609 -5.390 1.00 15.00 H new ATOM 0 HA GLU A 434 4.920 4.363 -6.269 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.165 6.664 -4.446 1.00 15.00 H new ATOM 0 HB3 GLU A 434 5.876 5.208 -3.777 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.610 6.345 -4.961 1.00 15.00 H new ATOM 0 HG3 GLU A 434 7.188 4.935 -5.912 1.00 15.00 H new ATOM 43 N TRP A 435 2.694 3.601 -4.341 1.00 15.00 N ATOM 44 CA TRP A 435 2.093 2.610 -3.462 1.00 15.00 C ATOM 45 C TRP A 435 1.945 1.281 -4.182 1.00 15.00 C ATOM 46 O TRP A 435 1.142 1.152 -5.104 1.00 15.00 O ATOM 47 CB TRP A 435 0.717 3.073 -2.977 1.00 15.00 C ATOM 48 CG TRP A 435 0.740 4.371 -2.237 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.585 5.618 -2.769 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.918 4.551 -0.829 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.660 6.562 -1.778 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.862 5.935 -0.577 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.121 3.678 0.242 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.002 6.466 0.701 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.257 4.205 1.512 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.198 5.588 1.731 1.00 15.00 C ATOM 0 H TRP A 435 2.020 4.143 -4.883 1.00 15.00 H new ATOM 0 HA TRP A 435 2.752 2.487 -2.602 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.053 3.168 -3.836 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.293 2.305 -2.330 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.427 5.830 -3.816 1.00 15.00 H new ATOM 0 HE1 TRP A 435 0.578 7.570 -1.913 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.171 2.611 0.081 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 0.958 7.531 0.873 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.411 3.541 2.349 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.310 5.969 2.735 1.00 15.00 H new ATOM 67 N THR A 436 2.731 0.306 -3.777 1.00 15.00 N ATOM 68 CA THR A 436 2.611 -1.030 -4.314 1.00 15.00 C ATOM 69 C THR A 436 1.927 -1.927 -3.294 1.00 15.00 C ATOM 70 O THR A 436 2.487 -2.224 -2.238 1.00 15.00 O ATOM 71 CB THR A 436 3.990 -1.606 -4.672 1.00 15.00 C ATOM 72 OG1 THR A 436 4.719 -0.653 -5.456 1.00 15.00 O ATOM 73 CG2 THR A 436 3.850 -2.906 -5.450 1.00 15.00 C ATOM 0 H THR A 436 3.462 0.416 -3.075 1.00 15.00 H new ATOM 0 HA THR A 436 2.014 -0.985 -5.225 1.00 15.00 H new ATOM 0 HB THR A 436 4.529 -1.814 -3.747 1.00 15.00 H new ATOM 0 HG1 THR A 436 5.599 -1.020 -5.682 1.00 15.00 H new ATOM 0 HG21 THR A 436 4.840 -3.294 -5.692 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.312 -3.636 -4.845 1.00 15.00 H new ATOM 0 HG23 THR A 436 3.298 -2.721 -6.371 1.00 15.00 H new ATOM 81 N GLU A 437 0.702 -2.328 -3.593 1.00 15.00 N ATOM 82 CA GLU A 437 -0.055 -3.156 -2.674 1.00 15.00 C ATOM 83 C GLU A 437 0.191 -4.628 -2.953 1.00 15.00 C ATOM 84 O GLU A 437 0.452 -5.031 -4.087 1.00 15.00 O ATOM 85 CB GLU A 437 -1.554 -2.819 -2.737 1.00 15.00 C ATOM 86 CG GLU A 437 -2.190 -2.900 -4.117 1.00 15.00 C ATOM 87 CD GLU A 437 -2.524 -4.316 -4.545 1.00 15.00 C ATOM 88 OE1 GLU A 437 -3.192 -5.037 -3.773 1.00 15.00 O ATOM 89 OE2 GLU A 437 -2.149 -4.704 -5.670 1.00 15.00 O1- ATOM 0 H GLU A 437 0.215 -2.095 -4.459 1.00 15.00 H new ATOM 0 HA GLU A 437 0.288 -2.944 -1.661 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.088 -3.496 -2.070 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.698 -1.810 -2.349 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -3.101 -2.302 -4.124 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -1.512 -2.458 -4.848 1.00 15.00 H new ATOM 96 N ARG A 438 0.117 -5.419 -1.906 1.00 15.00 N ATOM 97 CA ARG A 438 0.373 -6.841 -2.009 1.00 15.00 C ATOM 98 C ARG A 438 -0.625 -7.614 -1.166 1.00 15.00 C ATOM 99 O ARG A 438 -0.707 -7.425 0.048 1.00 15.00 O ATOM 100 CB ARG A 438 1.798 -7.149 -1.561 1.00 15.00 C ATOM 101 CG ARG A 438 2.124 -8.631 -1.532 1.00 15.00 C ATOM 102 CD ARG A 438 3.552 -8.864 -1.084 1.00 15.00 C ATOM 103 NE ARG A 438 3.839 -10.278 -0.862 1.00 15.00 N ATOM 104 CZ ARG A 438 4.810 -10.715 -0.068 1.00 15.00 C ATOM 105 NH1 ARG A 438 5.548 -9.849 0.618 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 5.027 -12.015 0.062 1.00 15.00 N ATOM 0 H ARG A 438 -0.120 -5.100 -0.967 1.00 15.00 H new ATOM 0 HA ARG A 438 0.260 -7.147 -3.049 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.496 -6.646 -2.230 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.954 -6.733 -0.566 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.439 -9.145 -0.857 1.00 15.00 H new ATOM 0 HG3 ARG A 438 1.976 -9.059 -2.523 1.00 15.00 H new ATOM 0 HD2 ARG A 438 4.235 -8.471 -1.837 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.737 -8.309 -0.164 1.00 15.00 H new ATOM 0 HE ARG A 438 3.262 -10.968 -1.343 1.00 15.00 H new ATOM 0 HH11 ARG A 438 5.369 -8.848 0.535 1.00 15.00 H new ATOM 0 HH12 ARG A 438 6.294 -10.185 1.228 1.00 15.00 H new ATOM 0 HH21 ARG A 438 4.448 -12.682 -0.448 1.00 15.00 H new ATOM 0 HH22 ARG A 438 5.773 -12.349 0.672 1.00 15.00 H new ATOM 120 N LYS A 439 -1.381 -8.475 -1.822 1.00 15.00 N ATOM 121 CA LYS A 439 -2.381 -9.285 -1.152 1.00 15.00 C ATOM 122 C LYS A 439 -1.761 -10.599 -0.692 1.00 15.00 C ATOM 123 O LYS A 439 -1.420 -11.455 -1.510 1.00 15.00 O ATOM 124 CB LYS A 439 -3.552 -9.560 -2.095 1.00 15.00 C ATOM 125 CG LYS A 439 -4.072 -8.314 -2.796 1.00 15.00 C ATOM 126 CD LYS A 439 -5.074 -8.664 -3.880 1.00 15.00 C ATOM 127 CE LYS A 439 -5.395 -7.461 -4.753 1.00 15.00 C ATOM 128 NZ LYS A 439 -4.174 -6.889 -5.382 1.00 15.00 N1+ ATOM 0 H LYS A 439 -1.320 -8.632 -2.828 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.751 -8.743 -0.282 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.241 -10.286 -2.846 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -4.365 -10.015 -1.529 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.540 -7.653 -2.066 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.237 -7.766 -3.233 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -4.676 -9.468 -4.499 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -5.990 -9.038 -3.423 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.100 -7.755 -5.531 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -5.885 -6.696 -4.151 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -4.449 -6.184 -6.096 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -3.589 -6.433 -4.653 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -3.630 -7.649 -5.837 1.00 15.00 H new ATOM 142 N THR A 440 -1.584 -10.742 0.608 1.00 15.00 N ATOM 143 CA THR A 440 -0.997 -11.948 1.159 1.00 15.00 C ATOM 144 C THR A 440 -2.094 -12.929 1.569 1.00 15.00 C ATOM 145 O THR A 440 -3.202 -12.523 1.932 1.00 15.00 O ATOM 146 CB THR A 440 -0.066 -11.644 2.359 1.00 15.00 C ATOM 147 OG1 THR A 440 0.546 -12.853 2.826 1.00 15.00 O ATOM 148 CG2 THR A 440 -0.823 -10.987 3.502 1.00 15.00 C ATOM 0 H THR A 440 -1.838 -10.038 1.301 1.00 15.00 H new ATOM 0 HA THR A 440 -0.384 -12.401 0.380 1.00 15.00 H new ATOM 0 HB THR A 440 0.701 -10.951 2.013 1.00 15.00 H new ATOM 0 HG1 THR A 440 1.134 -12.651 3.583 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.137 -10.789 4.326 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.258 -10.049 3.158 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.617 -11.652 3.842 1.00 15.00 H new ATOM 156 N ALA A 441 -1.776 -14.222 1.503 1.00 15.00 N ATOM 157 CA ALA A 441 -2.738 -15.281 1.806 1.00 15.00 C ATOM 158 C ALA A 441 -3.200 -15.234 3.262 1.00 15.00 C ATOM 159 O ALA A 441 -4.078 -15.991 3.671 1.00 15.00 O ATOM 160 CB ALA A 441 -2.136 -16.639 1.487 1.00 15.00 C ATOM 0 H ALA A 441 -0.851 -14.563 1.240 1.00 15.00 H new ATOM 0 HA ALA A 441 -3.616 -15.119 1.181 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -2.860 -17.421 1.716 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -1.877 -16.683 0.429 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -1.238 -16.789 2.087 1.00 15.00 H new ATOM 166 N ASP A 442 -2.600 -14.337 4.038 1.00 15.00 N ATOM 167 CA ASP A 442 -3.023 -14.095 5.412 1.00 15.00 C ATOM 168 C ASP A 442 -4.368 -13.360 5.429 1.00 15.00 C ATOM 169 O ASP A 442 -4.972 -13.151 6.481 1.00 15.00 O ATOM 170 CB ASP A 442 -1.953 -13.284 6.154 1.00 15.00 C ATOM 171 CG ASP A 442 -2.312 -13.000 7.601 1.00 15.00 C ATOM 172 OD1 ASP A 442 -2.538 -13.960 8.364 1.00 15.00 O ATOM 173 OD2 ASP A 442 -2.352 -11.812 7.987 1.00 15.00 O1- ATOM 0 H ASP A 442 -1.814 -13.762 3.735 1.00 15.00 H new ATOM 0 HA ASP A 442 -3.148 -15.051 5.920 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -1.008 -13.826 6.121 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -1.797 -12.339 5.633 1.00 15.00 H new ATOM 178 N GLY A 443 -4.837 -12.975 4.249 1.00 15.00 N ATOM 179 CA GLY A 443 -6.120 -12.316 4.140 1.00 15.00 C ATOM 180 C GLY A 443 -6.006 -10.820 4.315 1.00 15.00 C ATOM 181 O GLY A 443 -6.926 -10.171 4.810 1.00 15.00 O ATOM 0 H GLY A 443 -4.348 -13.109 3.364 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.558 -12.534 3.166 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.799 -12.718 4.892 1.00 15.00 H new ATOM 185 N LYS A 444 -4.867 -10.274 3.914 1.00 15.00 N ATOM 186 CA LYS A 444 -4.614 -8.846 4.039 1.00 15.00 C ATOM 187 C LYS A 444 -3.827 -8.342 2.838 1.00 15.00 C ATOM 188 O LYS A 444 -2.904 -9.007 2.369 1.00 15.00 O ATOM 189 CB LYS A 444 -3.800 -8.543 5.304 1.00 15.00 C ATOM 190 CG LYS A 444 -4.439 -8.989 6.611 1.00 15.00 C ATOM 191 CD LYS A 444 -3.549 -8.643 7.796 1.00 15.00 C ATOM 192 CE LYS A 444 -4.159 -9.084 9.116 1.00 15.00 C ATOM 193 NZ LYS A 444 -4.353 -10.558 9.183 1.00 15.00 N1+ ATOM 0 H LYS A 444 -4.100 -10.802 3.497 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.581 -8.346 4.095 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -2.826 -9.023 5.213 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -3.623 -7.469 5.353 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.410 -8.509 6.728 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.616 -10.064 6.586 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -2.576 -9.119 7.670 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -3.377 -7.567 7.818 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -3.514 -8.767 9.936 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -5.119 -8.587 9.255 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -4.091 -10.900 10.130 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -5.350 -10.786 8.997 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -3.753 -11.020 8.470 1.00 15.00 H new ATOM 207 N THR A 445 -4.178 -7.165 2.359 1.00 15.00 N ATOM 208 CA THR A 445 -3.359 -6.481 1.381 1.00 15.00 C ATOM 209 C THR A 445 -2.726 -5.264 2.038 1.00 15.00 C ATOM 210 O THR A 445 -3.403 -4.492 2.722 1.00 15.00 O ATOM 211 CB THR A 445 -4.149 -6.063 0.116 1.00 15.00 C ATOM 212 OG1 THR A 445 -3.268 -5.411 -0.810 1.00 15.00 O ATOM 213 CG2 THR A 445 -5.311 -5.137 0.454 1.00 15.00 C ATOM 0 H THR A 445 -5.024 -6.664 2.631 1.00 15.00 H new ATOM 0 HA THR A 445 -2.591 -7.176 1.042 1.00 15.00 H new ATOM 0 HB THR A 445 -4.561 -6.967 -0.333 1.00 15.00 H new ATOM 0 HG1 THR A 445 -3.609 -5.525 -1.722 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.839 -4.867 -0.461 1.00 15.00 H new ATOM 0 HG22 THR A 445 -5.996 -5.646 1.132 1.00 15.00 H new ATOM 0 HG23 THR A 445 -4.930 -4.235 0.932 1.00 15.00 H new ATOM 221 N TYR A 446 -1.423 -5.123 1.889 1.00 15.00 N ATOM 222 CA TYR A 446 -0.730 -3.999 2.480 1.00 15.00 C ATOM 223 C TYR A 446 -0.124 -3.129 1.391 1.00 15.00 C ATOM 224 O TYR A 446 0.542 -3.620 0.478 1.00 15.00 O ATOM 225 CB TYR A 446 0.334 -4.474 3.483 1.00 15.00 C ATOM 226 CG TYR A 446 1.524 -5.197 2.881 1.00 15.00 C ATOM 227 CD1 TYR A 446 1.459 -6.550 2.579 1.00 15.00 C ATOM 228 CD2 TYR A 446 2.714 -4.524 2.626 1.00 15.00 C ATOM 229 CE1 TYR A 446 2.546 -7.216 2.042 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.805 -5.180 2.088 1.00 15.00 C ATOM 231 CZ TYR A 446 3.716 -6.524 1.796 1.00 15.00 C ATOM 232 OH TYR A 446 4.803 -7.183 1.261 1.00 15.00 O ATOM 0 H TYR A 446 -0.829 -5.768 1.368 1.00 15.00 H new ATOM 0 HA TYR A 446 -1.448 -3.396 3.035 1.00 15.00 H new ATOM 0 HB2 TYR A 446 0.699 -3.608 4.036 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.143 -5.136 4.206 1.00 15.00 H new ATOM 0 HD1 TYR A 446 0.544 -7.092 2.766 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.787 -3.470 2.852 1.00 15.00 H new ATOM 0 HE1 TYR A 446 2.480 -8.270 1.817 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.722 -4.642 1.897 1.00 15.00 H new ATOM 0 HH TYR A 446 5.545 -6.553 1.149 1.00 15.00 H new ATOM 242 N TYR A 447 -0.373 -1.839 1.496 1.00 15.00 N ATOM 243 CA TYR A 447 0.094 -0.880 0.517 1.00 15.00 C ATOM 244 C TYR A 447 1.469 -0.375 0.924 1.00 15.00 C ATOM 245 O TYR A 447 1.609 0.375 1.894 1.00 15.00 O ATOM 246 CB TYR A 447 -0.904 0.283 0.400 1.00 15.00 C ATOM 247 CG TYR A 447 -2.325 -0.169 0.123 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.136 -0.649 1.148 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.853 -0.123 -1.159 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.427 -1.072 0.901 1.00 15.00 C ATOM 251 CE2 TYR A 447 -4.144 -0.545 -1.415 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.926 -1.018 -0.381 1.00 15.00 C ATOM 253 OH TYR A 447 -6.209 -1.444 -0.635 1.00 15.00 O ATOM 0 H TYR A 447 -0.905 -1.427 2.263 1.00 15.00 H new ATOM 0 HA TYR A 447 0.170 -1.360 -0.459 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -0.888 0.860 1.324 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.581 0.951 -0.399 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -2.748 -0.691 2.155 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -2.245 0.249 -1.971 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.041 -1.443 1.708 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -4.539 -0.505 -2.419 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.765 -1.298 0.158 1.00 15.00 H new ATOM 263 N TYR A 448 2.485 -0.833 0.217 1.00 15.00 N ATOM 264 CA TYR A 448 3.853 -0.484 0.548 1.00 15.00 C ATOM 265 C TYR A 448 4.364 0.595 -0.398 1.00 15.00 C ATOM 266 O TYR A 448 4.491 0.375 -1.602 1.00 15.00 O ATOM 267 CB TYR A 448 4.747 -1.726 0.477 1.00 15.00 C ATOM 268 CG TYR A 448 6.109 -1.537 1.104 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.231 -1.164 2.436 1.00 15.00 C ATOM 270 CD2 TYR A 448 7.271 -1.736 0.370 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.471 -0.996 3.018 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.515 -1.573 0.946 1.00 15.00 C ATOM 273 CZ TYR A 448 8.610 -1.203 2.271 1.00 15.00 C ATOM 274 OH TYR A 448 9.847 -1.045 2.853 1.00 15.00 O ATOM 0 H TYR A 448 2.388 -1.448 -0.591 1.00 15.00 H new ATOM 0 HA TYR A 448 3.881 -0.094 1.566 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.241 -2.554 0.973 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.875 -2.010 -0.567 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.341 -1.003 3.026 1.00 15.00 H new ATOM 0 HD2 TYR A 448 7.200 -2.023 -0.669 1.00 15.00 H new ATOM 0 HE1 TYR A 448 7.548 -0.703 4.055 1.00 15.00 H new ATOM 0 HE2 TYR A 448 9.409 -1.734 0.362 1.00 15.00 H new ATOM 0 HH TYR A 448 10.546 -1.229 2.191 1.00 15.00 H new ATOM 284 N ASN A 449 4.630 1.765 0.152 1.00 15.00 N ATOM 285 CA ASN A 449 5.113 2.883 -0.639 1.00 15.00 C ATOM 286 C ASN A 449 6.636 2.863 -0.678 1.00 15.00 C ATOM 287 O ASN A 449 7.286 3.022 0.349 1.00 15.00 O ATOM 288 CB ASN A 449 4.628 4.202 -0.041 1.00 15.00 C ATOM 289 CG ASN A 449 4.926 5.385 -0.935 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.031 5.910 -0.931 1.00 15.00 O ATOM 291 ND2 ASN A 449 3.935 5.831 -1.690 1.00 15.00 N ATOM 0 H ASN A 449 4.520 1.967 1.146 1.00 15.00 H new ATOM 0 HA ASN A 449 4.724 2.793 -1.653 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.554 4.145 0.135 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.102 4.354 0.929 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.079 6.639 -2.296 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.027 5.367 -1.666 1.00 15.00 H new ATOM 298 N ASN A 450 7.190 2.667 -1.869 1.00 15.00 N ATOM 299 CA ASN A 450 8.643 2.553 -2.036 1.00 15.00 C ATOM 300 C ASN A 450 9.313 3.924 -2.070 1.00 15.00 C ATOM 301 O ASN A 450 10.535 4.022 -2.188 1.00 15.00 O ATOM 302 CB ASN A 450 8.980 1.800 -3.329 1.00 15.00 C ATOM 303 CG ASN A 450 8.579 0.336 -3.304 1.00 15.00 C ATOM 304 OD1 ASN A 450 8.262 -0.244 -4.340 1.00 15.00 O ATOM 305 ND2 ASN A 450 8.604 -0.274 -2.133 1.00 15.00 N ATOM 0 H ASN A 450 6.659 2.583 -2.736 1.00 15.00 H new ATOM 0 HA ASN A 450 9.022 1.999 -1.177 1.00 15.00 H new ATOM 0 HB2 ASN A 450 8.481 2.290 -4.165 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.052 1.871 -3.512 1.00 15.00 H new ATOM 0 HD21 ASN A 450 8.355 -1.261 -2.067 1.00 15.00 H new ATOM 0 HD22 ASN A 450 8.873 0.242 -1.295 1.00 15.00 H new ATOM 312 N ARG A 451 8.518 4.977 -1.963 1.00 15.00 N ATOM 313 CA ARG A 451 9.038 6.335 -2.028 1.00 15.00 C ATOM 314 C ARG A 451 9.295 6.891 -0.630 1.00 15.00 C ATOM 315 O ARG A 451 10.327 7.511 -0.382 1.00 15.00 O ATOM 316 CB ARG A 451 8.063 7.213 -2.815 1.00 15.00 C ATOM 317 CG ARG A 451 8.373 8.694 -2.798 1.00 15.00 C ATOM 318 CD ARG A 451 7.409 9.435 -3.705 1.00 15.00 C ATOM 319 NE ARG A 451 7.604 10.880 -3.678 1.00 15.00 N ATOM 320 CZ ARG A 451 7.055 11.708 -4.563 1.00 15.00 C ATOM 321 NH1 ARG A 451 6.346 11.217 -5.574 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 7.230 13.020 -4.451 1.00 15.00 N ATOM 0 H ARG A 451 7.508 4.918 -1.831 1.00 15.00 H new ATOM 0 HA ARG A 451 9.997 6.329 -2.546 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.047 6.873 -3.851 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.060 7.063 -2.415 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.297 9.078 -1.781 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.398 8.863 -3.127 1.00 15.00 H new ATOM 0 HD2 ARG A 451 7.530 9.076 -4.727 1.00 15.00 H new ATOM 0 HD3 ARG A 451 6.386 9.205 -3.406 1.00 15.00 H new ATOM 0 HE ARG A 451 8.191 11.276 -2.944 1.00 15.00 H new ATOM 0 HH11 ARG A 451 6.224 10.209 -5.669 1.00 15.00 H new ATOM 0 HH12 ARG A 451 5.923 11.848 -6.255 1.00 15.00 H new ATOM 0 HH21 ARG A 451 7.787 13.397 -3.684 1.00 15.00 H new ATOM 0 HH22 ARG A 451 6.807 13.651 -5.132 1.00 15.00 H new ATOM 336 N THR A 452 8.355 6.673 0.276 1.00 15.00 N ATOM 337 CA THR A 452 8.517 7.100 1.656 1.00 15.00 C ATOM 338 C THR A 452 8.746 5.907 2.584 1.00 15.00 C ATOM 339 O THR A 452 8.865 6.069 3.798 1.00 15.00 O ATOM 340 CB THR A 452 7.288 7.900 2.131 1.00 15.00 C ATOM 341 OG1 THR A 452 6.084 7.226 1.741 1.00 15.00 O ATOM 342 CG2 THR A 452 7.300 9.307 1.551 1.00 15.00 C ATOM 0 H THR A 452 7.471 6.203 0.080 1.00 15.00 H new ATOM 0 HA THR A 452 9.396 7.743 1.696 1.00 15.00 H new ATOM 0 HB THR A 452 7.327 7.973 3.218 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.344 7.522 2.311 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.423 9.852 1.900 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.202 9.826 1.874 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.283 9.252 0.463 1.00 15.00 H new ATOM 350 N LEU A 453 8.805 4.709 1.995 1.00 15.00 N ATOM 351 CA LEU A 453 9.045 3.468 2.740 1.00 15.00 C ATOM 352 C LEU A 453 7.924 3.206 3.744 1.00 15.00 C ATOM 353 O LEU A 453 8.123 2.543 4.765 1.00 15.00 O ATOM 354 CB LEU A 453 10.405 3.506 3.458 1.00 15.00 C ATOM 355 CG LEU A 453 11.636 3.330 2.559 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.921 4.591 1.755 1.00 15.00 C ATOM 357 CD2 LEU A 453 12.846 2.942 3.391 1.00 15.00 C ATOM 0 H LEU A 453 8.688 4.571 0.991 1.00 15.00 H new ATOM 0 HA LEU A 453 9.061 2.650 2.019 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.493 4.458 3.981 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.417 2.723 4.217 1.00 15.00 H new ATOM 0 HG LEU A 453 11.424 2.528 1.852 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.799 4.433 1.129 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.063 4.822 1.124 1.00 15.00 H new ATOM 0 HD13 LEU A 453 12.106 5.422 2.435 1.00 15.00 H new ATOM 0 HD21 LEU A 453 13.712 2.821 2.740 1.00 15.00 H new ATOM 0 HD22 LEU A 453 13.050 3.723 4.123 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.646 2.003 3.908 1.00 15.00 H new ATOM 369 N GLU A 454 6.727 3.669 3.412 1.00 15.00 N ATOM 370 CA GLU A 454 5.593 3.561 4.319 1.00 15.00 C ATOM 371 C GLU A 454 4.796 2.291 4.061 1.00 15.00 C ATOM 372 O GLU A 454 4.407 2.010 2.928 1.00 15.00 O ATOM 373 CB GLU A 454 4.672 4.774 4.176 1.00 15.00 C ATOM 374 CG GLU A 454 5.299 6.078 4.630 1.00 15.00 C ATOM 375 CD GLU A 454 4.308 7.222 4.620 1.00 15.00 C ATOM 376 OE1 GLU A 454 4.145 7.868 3.566 1.00 15.00 O1- ATOM 377 OE2 GLU A 454 3.681 7.480 5.672 1.00 15.00 O ATOM 0 H GLU A 454 6.516 4.122 2.523 1.00 15.00 H new ATOM 0 HA GLU A 454 5.990 3.524 5.333 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.373 4.870 3.132 1.00 15.00 H new ATOM 0 HB3 GLU A 454 3.764 4.599 4.753 1.00 15.00 H new ATOM 0 HG2 GLU A 454 5.700 5.956 5.636 1.00 15.00 H new ATOM 0 HG3 GLU A 454 6.139 6.321 3.979 1.00 15.00 H new ATOM 384 N SER A 455 4.553 1.531 5.116 1.00 15.00 N ATOM 385 CA SER A 455 3.676 0.380 5.031 1.00 15.00 C ATOM 386 C SER A 455 2.313 0.746 5.597 1.00 15.00 C ATOM 387 O SER A 455 2.142 0.912 6.806 1.00 15.00 O ATOM 388 CB SER A 455 4.271 -0.818 5.767 1.00 15.00 C ATOM 389 OG SER A 455 3.479 -1.985 5.597 1.00 15.00 O ATOM 0 H SER A 455 4.952 1.692 6.041 1.00 15.00 H new ATOM 0 HA SER A 455 3.563 0.094 3.985 1.00 15.00 H new ATOM 0 HB2 SER A 455 5.280 -1.006 5.400 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.356 -0.587 6.829 1.00 15.00 H new ATOM 0 HG SER A 455 3.890 -2.732 6.080 1.00 15.00 H new ATOM 395 N THR A 456 1.362 0.905 4.705 1.00 15.00 N ATOM 396 CA THR A 456 0.033 1.358 5.065 1.00 15.00 C ATOM 397 C THR A 456 -0.994 0.255 4.819 1.00 15.00 C ATOM 398 O THR A 456 -1.060 -0.314 3.734 1.00 15.00 O ATOM 399 CB THR A 456 -0.313 2.627 4.262 1.00 15.00 C ATOM 400 OG1 THR A 456 0.689 3.625 4.500 1.00 15.00 O ATOM 401 CG2 THR A 456 -1.671 3.184 4.638 1.00 15.00 C ATOM 0 H THR A 456 1.486 0.725 3.709 1.00 15.00 H new ATOM 0 HA THR A 456 0.010 1.599 6.128 1.00 15.00 H new ATOM 0 HB THR A 456 -0.343 2.356 3.207 1.00 15.00 H new ATOM 0 HG1 THR A 456 0.800 4.176 3.697 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.874 4.078 4.048 1.00 15.00 H new ATOM 0 HG22 THR A 456 -2.439 2.436 4.439 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.679 3.439 5.698 1.00 15.00 H new ATOM 409 N TRP A 457 -1.785 -0.053 5.840 1.00 15.00 N ATOM 410 CA TRP A 457 -2.727 -1.165 5.762 1.00 15.00 C ATOM 411 C TRP A 457 -4.130 -0.684 5.402 1.00 15.00 C ATOM 412 O TRP A 457 -5.055 -1.485 5.256 1.00 15.00 O ATOM 413 CB TRP A 457 -2.761 -1.932 7.086 1.00 15.00 C ATOM 414 CG TRP A 457 -1.464 -2.609 7.426 1.00 15.00 C ATOM 415 CD1 TRP A 457 -0.435 -2.094 8.160 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.062 -3.934 7.048 1.00 15.00 C ATOM 417 NE1 TRP A 457 0.580 -3.015 8.260 1.00 15.00 N ATOM 418 CE2 TRP A 457 0.218 -4.151 7.591 1.00 15.00 C ATOM 419 CE3 TRP A 457 -1.659 -4.958 6.307 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.909 -5.349 7.417 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -0.973 -6.147 6.136 1.00 15.00 C ATOM 422 CH2 TRP A 457 0.299 -6.333 6.690 1.00 15.00 C ATOM 0 H TRP A 457 -1.794 0.448 6.728 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.384 -1.832 4.971 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.022 -1.242 7.889 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -3.551 -2.682 7.041 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -0.421 -1.107 8.598 1.00 15.00 H new ATOM 0 HE1 TRP A 457 1.461 -2.874 8.754 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -2.640 -4.823 5.875 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.891 -5.495 7.841 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.426 -6.945 5.566 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.809 -7.273 6.540 1.00 15.00 H new ATOM 433 N GLU A 458 -4.281 0.623 5.271 1.00 15.00 N ATOM 434 CA GLU A 458 -5.558 1.220 4.906 1.00 15.00 C ATOM 435 C GLU A 458 -5.497 1.772 3.483 1.00 15.00 C ATOM 436 O GLU A 458 -4.428 2.157 3.007 1.00 15.00 O ATOM 437 CB GLU A 458 -5.922 2.316 5.911 1.00 15.00 C ATOM 438 CG GLU A 458 -4.841 3.366 6.100 1.00 15.00 C ATOM 439 CD GLU A 458 -4.968 4.092 7.422 1.00 15.00 C ATOM 440 OE1 GLU A 458 -4.608 3.499 8.460 1.00 15.00 O1- ATOM 441 OE2 GLU A 458 -5.428 5.253 7.435 1.00 15.00 O ATOM 0 H GLU A 458 -3.529 1.297 5.413 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.335 0.456 4.934 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -6.837 2.807 5.581 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.138 1.854 6.874 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -3.862 2.890 6.042 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -4.893 4.088 5.285 1.00 15.00 H new ATOM 448 N LYS A 459 -6.648 1.814 2.818 1.00 15.00 N ATOM 449 CA LYS A 459 -6.728 2.228 1.418 1.00 15.00 C ATOM 450 C LYS A 459 -6.376 3.708 1.256 1.00 15.00 C ATOM 451 O LYS A 459 -7.071 4.580 1.779 1.00 15.00 O ATOM 452 CB LYS A 459 -8.139 1.966 0.878 1.00 15.00 C ATOM 453 CG LYS A 459 -8.305 2.246 -0.611 1.00 15.00 C ATOM 454 CD LYS A 459 -7.481 1.284 -1.447 1.00 15.00 C ATOM 455 CE LYS A 459 -7.780 1.416 -2.930 1.00 15.00 C ATOM 456 NZ LYS A 459 -9.201 1.122 -3.245 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.547 1.564 3.230 1.00 15.00 H new ATOM 0 HA LYS A 459 -6.005 1.644 0.849 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -8.402 0.926 1.071 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -8.847 2.582 1.432 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -9.357 2.160 -0.885 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -8.002 3.271 -0.827 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -6.421 1.470 -1.273 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -7.682 0.262 -1.127 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -7.539 2.427 -3.259 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -7.138 0.737 -3.490 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -9.255 0.577 -4.129 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -9.621 0.569 -2.471 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -9.724 2.014 -3.356 1.00 15.00 H new ATOM 470 N PRO A 460 -5.283 4.001 0.529 1.00 15.00 N ATOM 471 CA PRO A 460 -4.843 5.377 0.259 1.00 15.00 C ATOM 472 C PRO A 460 -5.887 6.168 -0.523 1.00 15.00 C ATOM 473 O PRO A 460 -6.532 5.641 -1.437 1.00 15.00 O ATOM 474 CB PRO A 460 -3.571 5.195 -0.580 1.00 15.00 C ATOM 475 CG PRO A 460 -3.124 3.801 -0.312 1.00 15.00 C ATOM 476 CD PRO A 460 -4.380 3.012 -0.077 1.00 15.00 C ATOM 0 HA PRO A 460 -4.680 5.940 1.178 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.773 5.347 -1.640 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.805 5.916 -0.295 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.562 3.401 -1.156 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.467 3.760 0.557 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.785 2.612 -1.006 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -4.206 2.164 0.586 1.00 15.00 H new ATOM 484 N GLN A 461 -6.011 7.448 -0.201 1.00 15.00 N ATOM 485 CA GLN A 461 -7.049 8.292 -0.775 1.00 15.00 C ATOM 486 C GLN A 461 -6.721 8.655 -2.221 1.00 15.00 C ATOM 487 O GLN A 461 -7.583 9.120 -2.968 1.00 15.00 O ATOM 488 CB GLN A 461 -7.237 9.550 0.077 1.00 15.00 C ATOM 489 CG GLN A 461 -8.421 10.410 -0.340 1.00 15.00 C ATOM 490 CD GLN A 461 -8.737 11.486 0.678 1.00 15.00 C ATOM 491 OE1 GLN A 461 -9.531 11.271 1.594 1.00 15.00 O ATOM 492 NE2 GLN A 461 -8.116 12.642 0.531 1.00 15.00 N ATOM 0 H GLN A 461 -5.400 7.928 0.460 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.985 7.734 -0.779 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -7.365 9.255 1.119 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -6.329 10.151 0.025 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -8.208 10.875 -1.303 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -9.297 9.776 -0.479 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.466 12.777 -0.243 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.287 13.400 1.192 1.00 15.00 H new ATOM 501 N GLU A 462 -5.473 8.437 -2.615 1.00 15.00 N ATOM 502 CA GLU A 462 -5.072 8.634 -4.002 1.00 15.00 C ATOM 503 C GLU A 462 -5.688 7.557 -4.890 1.00 15.00 C ATOM 504 O GLU A 462 -5.724 7.689 -6.112 1.00 15.00 O ATOM 505 CB GLU A 462 -3.547 8.625 -4.155 1.00 15.00 C ATOM 506 CG GLU A 462 -2.865 9.914 -3.721 1.00 15.00 C ATOM 507 CD GLU A 462 -2.964 10.159 -2.231 1.00 15.00 C ATOM 508 OE1 GLU A 462 -2.177 9.553 -1.476 1.00 15.00 O ATOM 509 OE2 GLU A 462 -3.819 10.966 -1.810 1.00 15.00 O1- ATOM 0 H GLU A 462 -4.724 8.125 -1.997 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.437 9.612 -4.314 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -3.140 7.799 -3.572 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -3.300 8.431 -5.199 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -1.814 9.878 -4.009 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -3.313 10.753 -4.253 1.00 15.00 H new ATOM 516 N LEU A 463 -6.157 6.482 -4.270 1.00 15.00 N ATOM 517 CA LEU A 463 -6.834 5.417 -4.992 1.00 15.00 C ATOM 518 C LEU A 463 -8.322 5.439 -4.669 1.00 15.00 C ATOM 519 O LEU A 463 -9.159 5.415 -5.570 1.00 15.00 O ATOM 520 CB LEU A 463 -6.248 4.035 -4.651 1.00 15.00 C ATOM 521 CG LEU A 463 -4.799 3.774 -5.093 1.00 15.00 C ATOM 522 CD1 LEU A 463 -4.596 4.175 -6.545 1.00 15.00 C ATOM 523 CD2 LEU A 463 -3.807 4.491 -4.188 1.00 15.00 C ATOM 0 H LEU A 463 -6.080 6.326 -3.265 1.00 15.00 H new ATOM 0 HA LEU A 463 -6.684 5.590 -6.058 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -6.305 3.898 -3.571 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -6.884 3.274 -5.103 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.613 2.704 -5.006 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -3.563 3.981 -6.835 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -5.266 3.595 -7.180 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.813 5.237 -6.663 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.791 4.286 -4.527 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -3.992 5.565 -4.224 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.926 4.136 -3.164 1.00 15.00 H new ATOM 535 N LYS A 464 -8.625 5.490 -3.370 1.00 15.00 N ATOM 536 CA LYS A 464 -9.997 5.516 -2.871 1.00 15.00 C ATOM 537 C LYS A 464 -10.780 4.294 -3.348 1.00 15.00 C ATOM 538 O LYS A 464 -11.520 4.396 -4.351 1.00 15.00 O ATOM 539 CB LYS A 464 -10.708 6.809 -3.287 1.00 15.00 C ATOM 540 CG LYS A 464 -12.104 6.942 -2.700 1.00 15.00 C ATOM 541 CD LYS A 464 -12.840 8.155 -3.247 1.00 15.00 C ATOM 542 CE LYS A 464 -14.274 8.211 -2.741 1.00 15.00 C ATOM 543 NZ LYS A 464 -14.335 8.397 -1.268 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.646 3.227 -2.718 1.00 15.00 O ATOM 0 H LYS A 464 -7.920 5.514 -2.633 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.954 5.486 -1.782 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -10.107 7.663 -2.974 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -10.773 6.846 -4.374 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -12.677 6.041 -2.920 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -12.035 7.019 -1.615 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -12.314 9.064 -2.954 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -12.838 8.122 -4.337 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -14.801 9.029 -3.232 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -14.791 7.291 -3.012 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -15.322 8.549 -0.978 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -13.961 7.549 -0.795 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -13.764 9.223 -0.999 1.00 15.00 H new TER 558 LYS A 464