USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 366 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 33 ASN : amide:sc= 0.545 K(o=1.8,f=-4.9!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -141:sc= 1.27 (180deg=7.67e-05) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00833) USER MOD Single : A 23 ASN : amide:sc= -10.3! C(o=-10!,f=-22!) USER MOD Single : A 26 SER OG : rot 84:sc= 0.376 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.00703 X(o=0.007,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.881 5.006 -5.882 1.00 0.00 N ATOM 2 CA ALA A 1 27.392 3.619 -5.669 1.00 0.00 C ATOM 3 C ALA A 1 28.432 2.782 -4.934 1.00 0.00 C ATOM 4 O ALA A 1 29.177 2.018 -5.549 1.00 0.00 O ATOM 5 CB ALA A 1 27.041 2.973 -7.001 1.00 0.00 C ATOM 0 H1 ALA A 1 27.156 5.557 -6.384 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.078 5.450 -4.962 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.753 4.984 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 1 26.494 3.666 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 1 26.684 1.957 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 1 26.261 3.554 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 1 27.926 2.944 -7.636 1.00 0.00 H new ATOM 13 N LYS A 2 28.482 2.934 -3.614 1.00 0.00 N ATOM 14 CA LYS A 2 29.436 2.195 -2.795 1.00 0.00 C ATOM 15 C LYS A 2 28.998 2.161 -1.334 1.00 0.00 C ATOM 16 O LYS A 2 28.839 1.092 -0.745 1.00 0.00 O ATOM 17 CB LYS A 2 30.824 2.829 -2.900 1.00 0.00 C ATOM 18 CG LYS A 2 31.568 2.465 -4.174 1.00 0.00 C ATOM 19 CD LYS A 2 31.653 3.648 -5.125 1.00 0.00 C ATOM 20 CE LYS A 2 32.636 3.386 -6.254 1.00 0.00 C ATOM 21 NZ LYS A 2 32.073 2.460 -7.276 1.00 0.00 N ATOM 0 H LYS A 2 27.873 3.562 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 2 29.474 1.171 -3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.723 3.913 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.420 2.521 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 2 32.573 2.124 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 2 31.062 1.635 -4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 2 30.667 3.854 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 2 31.959 4.538 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 2 32.905 4.330 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 2 33.553 2.962 -5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 32.774 2.307 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 31.840 1.550 -6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 31.212 2.876 -7.684 1.00 0.00 H new ATOM 35 N ILE A 3 28.823 3.339 -0.747 1.00 0.00 N ATOM 36 CA ILE A 3 28.423 3.441 0.651 1.00 0.00 C ATOM 37 C ILE A 3 26.902 3.416 0.826 1.00 0.00 C ATOM 38 O ILE A 3 26.372 2.559 1.532 1.00 0.00 O ATOM 39 CB ILE A 3 28.983 4.720 1.302 1.00 0.00 C ATOM 40 CG1 ILE A 3 30.510 4.657 1.374 1.00 0.00 C ATOM 41 CG2 ILE A 3 28.386 4.909 2.689 1.00 0.00 C ATOM 42 CD1 ILE A 3 31.111 5.658 2.336 1.00 0.00 C ATOM 0 H ILE A 3 28.952 4.235 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 3 28.841 2.566 1.148 1.00 0.00 H new ATOM 0 HB ILE A 3 28.705 5.577 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.811 3.653 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.920 4.830 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.790 5.816 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.302 4.994 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.638 4.052 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 3 32.196 5.557 2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.841 6.668 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.730 5.472 3.340 1.00 0.00 H new ATOM 54 N PRO A 4 26.177 4.365 0.205 1.00 0.00 N ATOM 55 CA PRO A 4 24.714 4.446 0.325 1.00 0.00 C ATOM 56 C PRO A 4 23.988 3.257 -0.297 1.00 0.00 C ATOM 57 O PRO A 4 22.819 3.013 0.004 1.00 0.00 O ATOM 58 CB PRO A 4 24.360 5.732 -0.427 1.00 0.00 C ATOM 59 CG PRO A 4 25.501 5.958 -1.356 1.00 0.00 C ATOM 60 CD PRO A 4 26.717 5.443 -0.643 1.00 0.00 C ATOM 0 HA PRO A 4 24.407 4.440 1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.422 5.626 -0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.237 6.570 0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.348 5.432 -2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 4 25.607 7.016 -1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.466 5.069 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.196 6.221 -0.049 1.00 0.00 H new ATOM 68 N ILE A 5 24.671 2.522 -1.168 1.00 0.00 N ATOM 69 CA ILE A 5 24.060 1.371 -1.821 1.00 0.00 C ATOM 70 C ILE A 5 23.334 0.489 -0.813 1.00 0.00 C ATOM 71 O ILE A 5 22.104 0.473 -0.757 1.00 0.00 O ATOM 72 CB ILE A 5 25.096 0.516 -2.577 1.00 0.00 C ATOM 73 CG1 ILE A 5 26.496 0.706 -1.992 1.00 0.00 C ATOM 74 CG2 ILE A 5 25.086 0.855 -4.059 1.00 0.00 C ATOM 75 CD1 ILE A 5 27.410 -0.474 -2.242 1.00 0.00 C ATOM 0 H ILE A 5 25.639 2.700 -1.436 1.00 0.00 H new ATOM 0 HA ILE A 5 23.346 1.771 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 5 24.821 -0.532 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 5 26.944 1.602 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 5 26.415 0.874 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.823 0.242 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 5 24.096 0.658 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 5 25.331 1.909 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 5 28.388 -0.277 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 5 26.982 -1.368 -1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 5 27.520 -0.628 -3.315 1.00 0.00 H new ATOM 87 N LYS A 6 24.104 -0.245 -0.021 1.00 0.00 N ATOM 88 CA LYS A 6 23.540 -1.135 0.987 1.00 0.00 C ATOM 89 C LYS A 6 22.513 -0.404 1.845 1.00 0.00 C ATOM 90 O LYS A 6 21.632 -1.026 2.439 1.00 0.00 O ATOM 91 CB LYS A 6 24.651 -1.704 1.870 1.00 0.00 C ATOM 92 CG LYS A 6 24.172 -2.772 2.838 1.00 0.00 C ATOM 93 CD LYS A 6 24.398 -4.168 2.280 1.00 0.00 C ATOM 94 CE LYS A 6 23.955 -5.240 3.262 1.00 0.00 C ATOM 95 NZ LYS A 6 25.006 -5.534 4.275 1.00 0.00 N ATOM 0 H LYS A 6 25.123 -0.242 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 6 23.037 -1.955 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.429 -2.125 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.106 -0.891 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.699 -2.668 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.111 -2.628 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.849 -4.280 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.454 -4.301 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.045 -4.916 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.710 -6.152 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.665 -6.270 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.867 -5.868 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.222 -4.670 4.812 1.00 0.00 H new ATOM 109 N ALA A 7 22.629 0.918 1.905 1.00 0.00 N ATOM 110 CA ALA A 7 21.707 1.729 2.690 1.00 0.00 C ATOM 111 C ALA A 7 20.351 1.830 2.003 1.00 0.00 C ATOM 112 O ALA A 7 19.307 1.704 2.643 1.00 0.00 O ATOM 113 CB ALA A 7 22.287 3.116 2.924 1.00 0.00 C ATOM 0 H ALA A 7 23.352 1.450 1.420 1.00 0.00 H new ATOM 0 HA ALA A 7 21.564 1.242 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.586 3.709 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 7 23.230 3.030 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 7 22.460 3.604 1.965 1.00 0.00 H new ATOM 119 N ILE A 8 20.377 2.053 0.695 1.00 0.00 N ATOM 120 CA ILE A 8 19.152 2.166 -0.086 1.00 0.00 C ATOM 121 C ILE A 8 18.402 0.841 -0.113 1.00 0.00 C ATOM 122 O ILE A 8 17.189 0.805 -0.318 1.00 0.00 O ATOM 123 CB ILE A 8 19.447 2.612 -1.531 1.00 0.00 C ATOM 124 CG1 ILE A 8 18.144 2.846 -2.297 1.00 0.00 C ATOM 125 CG2 ILE A 8 20.306 1.577 -2.241 1.00 0.00 C ATOM 126 CD1 ILE A 8 18.340 3.565 -3.614 1.00 0.00 C ATOM 0 H ILE A 8 21.234 2.159 0.152 1.00 0.00 H new ATOM 0 HA ILE A 8 18.532 2.922 0.396 1.00 0.00 H new ATOM 0 HB ILE A 8 19.998 3.552 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 8 17.664 1.885 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 8 17.464 3.426 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 8 20.505 1.907 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 8 21.249 1.459 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 8 19.780 0.622 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.375 3.697 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 8 18.792 4.540 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 8 18.995 2.976 -4.256 1.00 0.00 H new ATOM 138 N LYS A 9 19.133 -0.247 0.104 1.00 0.00 N ATOM 139 CA LYS A 9 18.537 -1.576 0.114 1.00 0.00 C ATOM 140 C LYS A 9 17.747 -1.799 1.397 1.00 0.00 C ATOM 141 O LYS A 9 16.612 -2.270 1.367 1.00 0.00 O ATOM 142 CB LYS A 9 19.620 -2.647 -0.023 1.00 0.00 C ATOM 143 CG LYS A 9 20.370 -2.585 -1.343 1.00 0.00 C ATOM 144 CD LYS A 9 19.443 -2.218 -2.490 1.00 0.00 C ATOM 145 CE LYS A 9 20.177 -2.221 -3.821 1.00 0.00 C ATOM 146 NZ LYS A 9 20.282 -3.592 -4.393 1.00 0.00 N ATOM 0 H LYS A 9 20.138 -0.234 0.275 1.00 0.00 H new ATOM 0 HA LYS A 9 17.856 -1.651 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 9 20.332 -2.540 0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.162 -3.631 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 9 21.173 -1.851 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.836 -3.550 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.613 -2.924 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 9 19.014 -1.232 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.655 -1.573 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.176 -1.806 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.789 -3.552 -5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.802 -4.205 -3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.329 -3.978 -4.546 1.00 0.00 H new ATOM 160 N THR A 10 18.358 -1.452 2.522 1.00 0.00 N ATOM 161 CA THR A 10 17.715 -1.610 3.820 1.00 0.00 C ATOM 162 C THR A 10 16.475 -0.730 3.922 1.00 0.00 C ATOM 163 O THR A 10 15.458 -1.139 4.481 1.00 0.00 O ATOM 164 CB THR A 10 18.694 -1.273 4.946 1.00 0.00 C ATOM 165 OG1 THR A 10 19.585 -2.350 5.175 1.00 0.00 O ATOM 166 CG2 THR A 10 18.013 -0.955 6.259 1.00 0.00 C ATOM 0 H THR A 10 19.298 -1.059 2.562 1.00 0.00 H new ATOM 0 HA THR A 10 17.408 -2.651 3.921 1.00 0.00 H new ATOM 0 HB THR A 10 19.226 -0.384 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 10 20.204 -2.114 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.766 -0.725 7.013 1.00 0.00 H new ATOM 0 HG22 THR A 10 17.356 -0.095 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 10 17.426 -1.815 6.582 1.00 0.00 H new ATOM 174 N VAL A 11 16.562 0.475 3.372 1.00 0.00 N ATOM 175 CA VAL A 11 15.438 1.399 3.398 1.00 0.00 C ATOM 176 C VAL A 11 14.387 0.984 2.377 1.00 0.00 C ATOM 177 O VAL A 11 13.206 1.299 2.520 1.00 0.00 O ATOM 178 CB VAL A 11 15.888 2.846 3.121 1.00 0.00 C ATOM 179 CG1 VAL A 11 14.696 3.728 2.778 1.00 0.00 C ATOM 180 CG2 VAL A 11 16.639 3.396 4.321 1.00 0.00 C ATOM 0 H VAL A 11 17.395 0.833 2.905 1.00 0.00 H new ATOM 0 HA VAL A 11 15.007 1.362 4.398 1.00 0.00 H new ATOM 0 HB VAL A 11 16.558 2.843 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.039 4.745 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.199 3.339 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.995 3.733 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 11 16.953 4.419 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 11 15.987 3.385 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 11 17.516 2.779 4.515 1.00 0.00 H new ATOM 190 N GLY A 12 14.827 0.261 1.353 1.00 0.00 N ATOM 191 CA GLY A 12 13.913 -0.201 0.331 1.00 0.00 C ATOM 192 C GLY A 12 13.019 -1.311 0.841 1.00 0.00 C ATOM 193 O GLY A 12 11.900 -1.490 0.359 1.00 0.00 O ATOM 0 H GLY A 12 15.800 -0.012 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.299 0.632 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.479 -0.556 -0.530 1.00 0.00 H new ATOM 197 N LYS A 13 13.515 -2.058 1.825 1.00 0.00 N ATOM 198 CA LYS A 13 12.752 -3.155 2.405 1.00 0.00 C ATOM 199 C LYS A 13 11.826 -2.649 3.503 1.00 0.00 C ATOM 200 O LYS A 13 10.709 -3.144 3.661 1.00 0.00 O ATOM 201 CB LYS A 13 13.688 -4.226 2.967 1.00 0.00 C ATOM 202 CG LYS A 13 14.730 -4.709 1.972 1.00 0.00 C ATOM 203 CD LYS A 13 14.091 -5.450 0.809 1.00 0.00 C ATOM 204 CE LYS A 13 14.805 -5.151 -0.499 1.00 0.00 C ATOM 205 NZ LYS A 13 13.933 -5.404 -1.679 1.00 0.00 N ATOM 0 H LYS A 13 14.439 -1.922 2.235 1.00 0.00 H new ATOM 0 HA LYS A 13 12.147 -3.597 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.195 -3.828 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.094 -5.077 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.296 -3.857 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.439 -5.365 2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.115 -6.523 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.042 -5.165 0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.131 -4.111 -0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.702 -5.766 -0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.457 -5.188 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.642 -6.403 -1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.089 -4.798 -1.623 1.00 0.00 H new ATOM 219 N ALA A 14 12.288 -1.658 4.258 1.00 0.00 N ATOM 220 CA ALA A 14 11.485 -1.093 5.333 1.00 0.00 C ATOM 221 C ALA A 14 10.435 -0.151 4.771 1.00 0.00 C ATOM 222 O ALA A 14 9.256 -0.242 5.110 1.00 0.00 O ATOM 223 CB ALA A 14 12.369 -0.372 6.339 1.00 0.00 C ATOM 0 H ALA A 14 13.208 -1.233 4.146 1.00 0.00 H new ATOM 0 HA ALA A 14 10.976 -1.908 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.751 0.043 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.084 -1.076 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.907 0.434 5.839 1.00 0.00 H new ATOM 229 N VAL A 15 10.869 0.741 3.895 1.00 0.00 N ATOM 230 CA VAL A 15 9.962 1.686 3.268 1.00 0.00 C ATOM 231 C VAL A 15 9.167 0.995 2.170 1.00 0.00 C ATOM 232 O VAL A 15 8.101 1.462 1.769 1.00 0.00 O ATOM 233 CB VAL A 15 10.718 2.890 2.673 1.00 0.00 C ATOM 234 CG1 VAL A 15 9.741 3.945 2.179 1.00 0.00 C ATOM 235 CG2 VAL A 15 11.676 3.480 3.698 1.00 0.00 C ATOM 0 H VAL A 15 11.842 0.830 3.603 1.00 0.00 H new ATOM 0 HA VAL A 15 9.286 2.055 4.039 1.00 0.00 H new ATOM 0 HB VAL A 15 11.302 2.542 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.294 4.787 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.100 3.515 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.127 4.290 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.201 4.329 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.115 3.812 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.400 2.722 3.998 1.00 0.00 H new ATOM 245 N GLY A 16 9.690 -0.134 1.697 1.00 0.00 N ATOM 246 CA GLY A 16 9.013 -0.885 0.661 1.00 0.00 C ATOM 247 C GLY A 16 7.881 -1.723 1.216 1.00 0.00 C ATOM 248 O GLY A 16 6.880 -1.956 0.538 1.00 0.00 O ATOM 0 H GLY A 16 10.570 -0.539 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.621 -0.197 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.729 -1.533 0.156 1.00 0.00 H new ATOM 252 N LYS A 17 8.037 -2.174 2.459 1.00 0.00 N ATOM 253 CA LYS A 17 7.016 -2.987 3.104 1.00 0.00 C ATOM 254 C LYS A 17 5.840 -2.127 3.544 1.00 0.00 C ATOM 255 O LYS A 17 4.682 -2.494 3.346 1.00 0.00 O ATOM 256 CB LYS A 17 7.605 -3.730 4.304 1.00 0.00 C ATOM 257 CG LYS A 17 7.507 -5.244 4.194 1.00 0.00 C ATOM 258 CD LYS A 17 8.657 -5.821 3.383 1.00 0.00 C ATOM 259 CE LYS A 17 9.312 -6.992 4.100 1.00 0.00 C ATOM 260 NZ LYS A 17 8.379 -8.142 4.259 1.00 0.00 N ATOM 0 H LYS A 17 8.858 -1.990 3.035 1.00 0.00 H new ATOM 0 HA LYS A 17 6.656 -3.719 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.652 -3.450 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.091 -3.406 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.508 -5.683 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.560 -5.515 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.290 -6.148 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.399 -5.044 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.191 -7.313 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.659 -6.668 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.875 -8.930 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.568 -7.853 4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.041 -8.447 3.324 1.00 0.00 H new ATOM 274 N GLY A 18 6.141 -0.976 4.130 1.00 0.00 N ATOM 275 CA GLY A 18 5.090 -0.083 4.571 1.00 0.00 C ATOM 276 C GLY A 18 4.301 0.469 3.404 1.00 0.00 C ATOM 277 O GLY A 18 3.090 0.677 3.500 1.00 0.00 O ATOM 0 H GLY A 18 7.090 -0.646 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.419 -0.615 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.525 0.740 5.138 1.00 0.00 H new ATOM 281 N LEU A 19 4.994 0.700 2.294 1.00 0.00 N ATOM 282 CA LEU A 19 4.364 1.226 1.091 1.00 0.00 C ATOM 283 C LEU A 19 3.319 0.254 0.562 1.00 0.00 C ATOM 284 O LEU A 19 2.210 0.655 0.210 1.00 0.00 O ATOM 285 CB LEU A 19 5.421 1.508 0.018 1.00 0.00 C ATOM 286 CG LEU A 19 4.959 1.307 -1.428 1.00 0.00 C ATOM 287 CD1 LEU A 19 3.684 2.091 -1.695 1.00 0.00 C ATOM 288 CD2 LEU A 19 6.057 1.720 -2.398 1.00 0.00 C ATOM 0 H LEU A 19 5.996 0.530 2.204 1.00 0.00 H new ATOM 0 HA LEU A 19 3.865 2.161 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.765 2.536 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.280 0.863 0.200 1.00 0.00 H new ATOM 0 HG LEU A 19 4.746 0.249 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.371 1.936 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.898 1.748 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.868 3.152 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.713 1.571 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.300 2.772 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.945 1.113 -2.222 1.00 0.00 H new ATOM 300 N ARG A 20 3.674 -1.024 0.512 1.00 0.00 N ATOM 301 CA ARG A 20 2.750 -2.037 0.028 1.00 0.00 C ATOM 302 C ARG A 20 1.518 -2.090 0.913 1.00 0.00 C ATOM 303 O ARG A 20 0.388 -1.996 0.435 1.00 0.00 O ATOM 304 CB ARG A 20 3.426 -3.409 -0.024 1.00 0.00 C ATOM 305 CG ARG A 20 3.347 -4.077 -1.389 1.00 0.00 C ATOM 306 CD ARG A 20 3.494 -3.066 -2.515 1.00 0.00 C ATOM 307 NE ARG A 20 4.226 -3.614 -3.653 1.00 0.00 N ATOM 308 CZ ARG A 20 5.490 -4.020 -3.590 1.00 0.00 C ATOM 309 NH1 ARG A 20 6.157 -3.947 -2.446 1.00 0.00 N ATOM 310 NH2 ARG A 20 6.086 -4.503 -4.672 1.00 0.00 N ATOM 0 H ARG A 20 4.586 -1.379 0.798 1.00 0.00 H new ATOM 0 HA ARG A 20 2.446 -1.768 -0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.473 -3.299 0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.963 -4.061 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.130 -4.831 -1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.393 -4.595 -1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.506 -2.742 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.012 -2.182 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 20 3.740 -3.690 -4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.700 -3.579 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.127 -4.259 -2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.574 -4.563 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.056 -4.815 -4.624 1.00 0.00 H new ATOM 324 N ALA A 21 1.736 -2.222 2.210 1.00 0.00 N ATOM 325 CA ALA A 21 0.631 -2.265 3.149 1.00 0.00 C ATOM 326 C ALA A 21 -0.334 -1.125 2.862 1.00 0.00 C ATOM 327 O ALA A 21 -1.538 -1.242 3.091 1.00 0.00 O ATOM 328 CB ALA A 21 1.141 -2.193 4.579 1.00 0.00 C ATOM 0 H ALA A 21 2.661 -2.301 2.633 1.00 0.00 H new ATOM 0 HA ALA A 21 0.102 -3.210 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.297 -2.227 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.802 -3.038 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.690 -1.263 4.723 1.00 0.00 H new ATOM 334 N ILE A 22 0.203 -0.025 2.340 1.00 0.00 N ATOM 335 CA ILE A 22 -0.613 1.129 2.002 1.00 0.00 C ATOM 336 C ILE A 22 -1.321 0.906 0.670 1.00 0.00 C ATOM 337 O ILE A 22 -2.383 1.477 0.417 1.00 0.00 O ATOM 338 CB ILE A 22 0.227 2.419 1.923 1.00 0.00 C ATOM 339 CG1 ILE A 22 0.717 2.820 3.316 1.00 0.00 C ATOM 340 CG2 ILE A 22 -0.586 3.544 1.298 1.00 0.00 C ATOM 341 CD1 ILE A 22 -0.285 2.540 4.415 1.00 0.00 C ATOM 0 H ILE A 22 1.198 0.088 2.144 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.350 1.248 2.796 1.00 0.00 H new ATOM 0 HB ILE A 22 1.096 2.231 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.642 2.286 3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.956 3.884 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.021 4.448 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.891 3.257 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.471 3.734 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.131 2.850 5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.203 3.095 4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.506 1.473 4.443 1.00 0.00 H new ATOM 353 N ASN A 23 -0.737 0.058 -0.176 1.00 0.00 N ATOM 354 CA ASN A 23 -1.329 -0.244 -1.467 1.00 0.00 C ATOM 355 C ASN A 23 -2.434 -1.249 -1.299 1.00 0.00 C ATOM 356 O ASN A 23 -3.552 -1.066 -1.781 1.00 0.00 O ATOM 357 CB ASN A 23 -0.275 -0.775 -2.431 1.00 0.00 C ATOM 358 CG ASN A 23 -0.104 -2.283 -2.374 1.00 0.00 C ATOM 359 OD1 ASN A 23 0.774 -2.799 -1.683 1.00 0.00 O ATOM 360 ND2 ASN A 23 -0.942 -2.998 -3.115 1.00 0.00 N ATOM 0 H ASN A 23 0.140 -0.427 0.013 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.742 0.674 -1.885 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.545 -0.486 -3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.681 -0.301 -2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.872 -4.016 -3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.656 -2.530 -3.673 1.00 0.00 H new ATOM 367 N ILE A 24 -2.115 -2.292 -0.577 1.00 0.00 N ATOM 368 CA ILE A 24 -3.071 -3.325 -0.292 1.00 0.00 C ATOM 369 C ILE A 24 -4.274 -2.691 0.381 1.00 0.00 C ATOM 370 O ILE A 24 -5.416 -3.112 0.191 1.00 0.00 O ATOM 371 CB ILE A 24 -2.435 -4.413 0.603 1.00 0.00 C ATOM 372 CG1 ILE A 24 -2.572 -5.772 -0.069 1.00 0.00 C ATOM 373 CG2 ILE A 24 -3.037 -4.419 1.998 1.00 0.00 C ATOM 374 CD1 ILE A 24 -2.219 -5.720 -1.536 1.00 0.00 C ATOM 0 H ILE A 24 -1.191 -2.447 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.389 -3.810 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.376 -4.185 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.925 -6.491 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.595 -6.130 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.563 -5.198 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.873 -3.450 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.107 -4.614 1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.332 -6.712 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.883 -5.022 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.187 -5.388 -1.650 1.00 0.00 H new ATOM 386 N ALA A 25 -3.993 -1.653 1.156 1.00 0.00 N ATOM 387 CA ALA A 25 -5.027 -0.925 1.851 1.00 0.00 C ATOM 388 C ALA A 25 -5.670 0.089 0.917 1.00 0.00 C ATOM 389 O ALA A 25 -6.759 0.595 1.185 1.00 0.00 O ATOM 390 CB ALA A 25 -4.462 -0.235 3.083 1.00 0.00 C ATOM 0 H ALA A 25 -3.049 -1.300 1.315 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.790 -1.631 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.258 0.308 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.042 -0.981 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.681 0.463 2.783 1.00 0.00 H new ATOM 396 N SER A 26 -4.985 0.378 -0.189 1.00 0.00 N ATOM 397 CA SER A 26 -5.490 1.330 -1.170 1.00 0.00 C ATOM 398 C SER A 26 -6.404 0.636 -2.172 1.00 0.00 C ATOM 399 O SER A 26 -7.322 1.248 -2.718 1.00 0.00 O ATOM 400 CB SER A 26 -4.332 2.011 -1.899 1.00 0.00 C ATOM 401 OG SER A 26 -3.971 3.225 -1.262 1.00 0.00 O ATOM 0 H SER A 26 -4.082 -0.033 -0.425 1.00 0.00 H new ATOM 0 HA SER A 26 -6.067 2.089 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.472 1.342 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.615 2.209 -2.933 1.00 0.00 H new ATOM 0 HG SER A 26 -3.364 3.035 -0.516 1.00 0.00 H new ATOM 407 N THR A 27 -6.150 -0.647 -2.406 1.00 0.00 N ATOM 408 CA THR A 27 -6.955 -1.425 -3.339 1.00 0.00 C ATOM 409 C THR A 27 -8.258 -1.864 -2.682 1.00 0.00 C ATOM 410 O THR A 27 -9.303 -1.928 -3.331 1.00 0.00 O ATOM 411 CB THR A 27 -6.178 -2.648 -3.825 1.00 0.00 C ATOM 412 OG1 THR A 27 -5.023 -2.255 -4.544 1.00 0.00 O ATOM 413 CG2 THR A 27 -6.991 -3.556 -4.723 1.00 0.00 C ATOM 0 H THR A 27 -5.394 -1.169 -1.963 1.00 0.00 H new ATOM 0 HA THR A 27 -7.189 -0.794 -4.196 1.00 0.00 H new ATOM 0 HB THR A 27 -5.913 -3.199 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.538 -3.052 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.380 -4.404 -5.032 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.865 -3.917 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.314 -3.002 -5.604 1.00 0.00 H new ATOM 421 N ALA A 28 -8.188 -2.161 -1.388 1.00 0.00 N ATOM 422 CA ALA A 28 -9.363 -2.589 -0.639 1.00 0.00 C ATOM 423 C ALA A 28 -10.325 -1.425 -0.425 1.00 0.00 C ATOM 424 O ALA A 28 -11.530 -1.623 -0.269 1.00 0.00 O ATOM 425 CB ALA A 28 -8.951 -3.184 0.699 1.00 0.00 C ATOM 0 H ALA A 28 -7.331 -2.113 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.876 -3.355 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.840 -3.499 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.305 -4.045 0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.413 -2.435 1.280 1.00 0.00 H new ATOM 431 N ASN A 29 -9.784 -0.210 -0.421 1.00 0.00 N ATOM 432 CA ASN A 29 -10.595 0.985 -0.227 1.00 0.00 C ATOM 433 C ASN A 29 -11.553 1.183 -1.395 1.00 0.00 C ATOM 434 O ASN A 29 -12.769 1.249 -1.211 1.00 0.00 O ATOM 435 CB ASN A 29 -9.699 2.215 -0.068 1.00 0.00 C ATOM 436 CG ASN A 29 -9.786 2.820 1.320 1.00 0.00 C ATOM 437 OD1 ASN A 29 -10.314 3.917 1.500 1.00 0.00 O ATOM 438 ND2 ASN A 29 -9.266 2.104 2.311 1.00 0.00 N ATOM 0 H ASN A 29 -8.789 -0.028 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.182 0.855 0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -8.666 1.937 -0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.982 2.965 -0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.295 2.459 3.267 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.838 1.199 2.116 1.00 0.00 H new ATOM 445 N ASP A 30 -10.997 1.272 -2.596 1.00 0.00 N ATOM 446 CA ASP A 30 -11.801 1.456 -3.798 1.00 0.00 C ATOM 447 C ASP A 30 -12.778 0.298 -3.969 1.00 0.00 C ATOM 448 O ASP A 30 -13.864 0.463 -4.524 1.00 0.00 O ATOM 449 CB ASP A 30 -10.899 1.570 -5.030 1.00 0.00 C ATOM 450 CG ASP A 30 -10.887 2.971 -5.610 1.00 0.00 C ATOM 451 OD1 ASP A 30 -11.143 3.930 -4.852 1.00 0.00 O ATOM 452 OD2 ASP A 30 -10.623 3.109 -6.823 1.00 0.00 O ATOM 0 H ASP A 30 -9.992 1.220 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.370 2.380 -3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.883 1.282 -4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.238 0.867 -5.791 1.00 0.00 H new ATOM 457 N VAL A 31 -12.385 -0.873 -3.478 1.00 0.00 N ATOM 458 CA VAL A 31 -13.225 -2.060 -3.565 1.00 0.00 C ATOM 459 C VAL A 31 -14.377 -1.980 -2.575 1.00 0.00 C ATOM 460 O VAL A 31 -15.534 -2.207 -2.929 1.00 0.00 O ATOM 461 CB VAL A 31 -12.418 -3.342 -3.291 1.00 0.00 C ATOM 462 CG1 VAL A 31 -13.333 -4.556 -3.283 1.00 0.00 C ATOM 463 CG2 VAL A 31 -11.311 -3.504 -4.320 1.00 0.00 C ATOM 0 H VAL A 31 -11.489 -1.024 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.618 -2.100 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.957 -3.258 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.745 -5.453 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.086 -4.439 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.824 -4.648 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.751 -4.415 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.747 -3.567 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.640 -2.646 -4.271 1.00 0.00 H new ATOM 473 N PHE A 32 -14.051 -1.649 -1.332 1.00 0.00 N ATOM 474 CA PHE A 32 -15.058 -1.529 -0.285 1.00 0.00 C ATOM 475 C PHE A 32 -16.020 -0.393 -0.602 1.00 0.00 C ATOM 476 O PHE A 32 -17.126 -0.330 -0.065 1.00 0.00 O ATOM 477 CB PHE A 32 -14.391 -1.287 1.069 1.00 0.00 C ATOM 478 CG PHE A 32 -15.343 -0.817 2.131 1.00 0.00 C ATOM 479 CD1 PHE A 32 -16.530 -1.492 2.363 1.00 0.00 C ATOM 480 CD2 PHE A 32 -15.049 0.300 2.896 1.00 0.00 C ATOM 481 CE1 PHE A 32 -17.407 -1.061 3.341 1.00 0.00 C ATOM 482 CE2 PHE A 32 -15.922 0.735 3.874 1.00 0.00 C ATOM 483 CZ PHE A 32 -17.103 0.054 4.097 1.00 0.00 C ATOM 0 H PHE A 32 -13.097 -1.459 -1.024 1.00 0.00 H new ATOM 0 HA PHE A 32 -15.620 -2.462 -0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.916 -2.210 1.401 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.600 -0.547 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -16.773 -2.364 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -14.127 0.836 2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -18.329 -1.596 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -15.681 1.607 4.464 1.00 0.00 H new ATOM 0 HZ PHE A 32 -17.787 0.393 4.861 1.00 0.00 H new ATOM 493 N ASN A 33 -15.589 0.502 -1.484 1.00 0.00 N ATOM 494 CA ASN A 33 -16.406 1.639 -1.883 1.00 0.00 C ATOM 495 C ASN A 33 -17.276 1.280 -3.083 1.00 0.00 C ATOM 496 O ASN A 33 -18.390 1.784 -3.228 1.00 0.00 O ATOM 497 CB ASN A 33 -15.520 2.839 -2.219 1.00 0.00 C ATOM 498 CG ASN A 33 -16.305 4.135 -2.291 1.00 0.00 C ATOM 499 OD1 ASN A 33 -17.300 4.234 -3.010 1.00 0.00 O ATOM 500 ND2 ASN A 33 -15.858 5.138 -1.544 1.00 0.00 N ATOM 0 H ASN A 33 -14.676 0.461 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 33 -17.056 1.903 -1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.738 2.932 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.023 2.665 -3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.343 6.035 -1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.029 5.011 -0.963 1.00 0.00 H new ATOM 507 N PHE A 34 -16.760 0.404 -3.940 1.00 0.00 N ATOM 508 CA PHE A 34 -17.492 -0.024 -5.126 1.00 0.00 C ATOM 509 C PHE A 34 -18.659 -0.925 -4.742 1.00 0.00 C ATOM 510 O PHE A 34 -19.654 -1.012 -5.461 1.00 0.00 O ATOM 511 CB PHE A 34 -16.560 -0.758 -6.092 1.00 0.00 C ATOM 512 CG PHE A 34 -16.681 -0.289 -7.514 1.00 0.00 C ATOM 513 CD1 PHE A 34 -16.116 0.911 -7.912 1.00 0.00 C ATOM 514 CD2 PHE A 34 -17.362 -1.049 -8.451 1.00 0.00 C ATOM 515 CE1 PHE A 34 -16.228 1.346 -9.218 1.00 0.00 C ATOM 516 CE2 PHE A 34 -17.477 -0.619 -9.760 1.00 0.00 C ATOM 517 CZ PHE A 34 -16.909 0.580 -10.144 1.00 0.00 C ATOM 0 H PHE A 34 -15.839 -0.022 -3.835 1.00 0.00 H new ATOM 0 HA PHE A 34 -17.886 0.863 -5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.530 -0.627 -5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.774 -1.826 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.582 1.514 -7.193 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.808 -1.987 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.783 2.284 -9.515 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -18.010 -1.220 -10.482 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.997 0.918 -11.166 1.00 0.00 H new ATOM 527 N LEU A 35 -18.531 -1.593 -3.600 1.00 0.00 N ATOM 528 CA LEU A 35 -19.576 -2.487 -3.116 1.00 0.00 C ATOM 529 C LEU A 35 -20.713 -1.697 -2.477 1.00 0.00 C ATOM 530 O LEU A 35 -21.710 -1.397 -3.134 1.00 0.00 O ATOM 531 CB LEU A 35 -18.999 -3.483 -2.107 1.00 0.00 C ATOM 532 CG LEU A 35 -18.695 -4.873 -2.668 1.00 0.00 C ATOM 533 CD1 LEU A 35 -19.982 -5.631 -2.953 1.00 0.00 C ATOM 534 CD2 LEU A 35 -17.849 -4.765 -3.928 1.00 0.00 C ATOM 0 H LEU A 35 -17.714 -1.532 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.974 -3.036 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -18.081 -3.066 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.702 -3.588 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.130 -5.429 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.743 -6.617 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.552 -5.741 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.575 -5.079 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.642 -5.763 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -18.389 -4.190 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.909 -4.265 -3.694 1.00 0.00 H new ATOM 546 N LYS A 36 -20.542 -1.365 -1.194 1.00 0.00 N ATOM 547 CA LYS A 36 -21.534 -0.605 -0.428 1.00 0.00 C ATOM 548 C LYS A 36 -22.907 -0.624 -1.092 1.00 0.00 C ATOM 549 O LYS A 36 -23.411 0.411 -1.529 1.00 0.00 O ATOM 550 CB LYS A 36 -21.066 0.838 -0.246 1.00 0.00 C ATOM 551 CG LYS A 36 -20.034 1.275 -1.270 1.00 0.00 C ATOM 552 CD LYS A 36 -19.598 2.710 -1.034 1.00 0.00 C ATOM 553 CE LYS A 36 -20.529 3.695 -1.724 1.00 0.00 C ATOM 554 NZ LYS A 36 -20.058 4.034 -3.095 1.00 0.00 N ATOM 0 H LYS A 36 -19.712 -1.616 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 36 -21.630 -1.085 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -21.929 1.501 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -20.645 0.952 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.167 0.616 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.450 1.179 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.579 2.914 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.582 2.848 -1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.531 3.270 -1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.601 4.605 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.219 5.045 -3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.042 3.825 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -20.583 3.469 -3.792 1.00 0.00 H new ATOM 568 N PRO A 37 -23.531 -1.807 -1.171 1.00 0.00 N ATOM 569 CA PRO A 37 -24.854 -1.966 -1.782 1.00 0.00 C ATOM 570 C PRO A 37 -25.913 -1.129 -1.074 1.00 0.00 C ATOM 571 O PRO A 37 -26.262 -1.395 0.076 1.00 0.00 O ATOM 572 CB PRO A 37 -25.154 -3.462 -1.619 1.00 0.00 C ATOM 573 CG PRO A 37 -24.230 -3.929 -0.546 1.00 0.00 C ATOM 574 CD PRO A 37 -22.999 -3.081 -0.669 1.00 0.00 C ATOM 0 HA PRO A 37 -24.867 -1.633 -2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -26.195 -3.627 -1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -24.982 -4.002 -2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -24.685 -3.817 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -23.991 -4.985 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -22.494 -2.959 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -22.275 -3.516 -1.358 1.00 0.00 H new ATOM 582 N LYS A 38 -26.417 -0.113 -1.767 1.00 0.00 N ATOM 583 CA LYS A 38 -27.431 0.766 -1.200 1.00 0.00 C ATOM 584 C LYS A 38 -26.867 1.544 -0.015 1.00 0.00 C ATOM 585 O LYS A 38 -27.537 1.717 1.003 1.00 0.00 O ATOM 586 CB LYS A 38 -28.650 -0.047 -0.757 1.00 0.00 C ATOM 587 CG LYS A 38 -29.567 -0.443 -1.903 1.00 0.00 C ATOM 588 CD LYS A 38 -29.337 -1.884 -2.329 1.00 0.00 C ATOM 589 CE LYS A 38 -29.763 -2.114 -3.770 1.00 0.00 C ATOM 590 NZ LYS A 38 -31.137 -2.681 -3.860 1.00 0.00 N ATOM 0 H LYS A 38 -26.140 0.121 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 38 -27.737 1.475 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -28.309 -0.948 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -29.219 0.534 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -30.606 -0.314 -1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -29.397 0.220 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -28.282 -2.134 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -29.895 -2.552 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -29.723 -1.171 -4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -29.059 -2.791 -4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -31.389 -2.823 -4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -31.169 -3.593 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -31.813 -2.023 -3.422 1.00 0.00 H new ATOM 604 N LYS A 39 -25.630 2.009 -0.156 1.00 0.00 N ATOM 605 CA LYS A 39 -24.971 2.767 0.902 1.00 0.00 C ATOM 606 C LYS A 39 -25.266 2.161 2.270 1.00 0.00 C ATOM 607 O LYS A 39 -25.344 2.872 3.272 1.00 0.00 O ATOM 608 CB LYS A 39 -25.423 4.228 0.871 1.00 0.00 C ATOM 609 CG LYS A 39 -25.257 4.887 -0.488 1.00 0.00 C ATOM 610 CD LYS A 39 -23.803 4.895 -0.929 1.00 0.00 C ATOM 611 CE LYS A 39 -23.595 5.785 -2.143 1.00 0.00 C ATOM 612 NZ LYS A 39 -24.208 5.204 -3.369 1.00 0.00 N ATOM 0 H LYS A 39 -25.063 1.874 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 39 -23.896 2.723 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -26.471 4.282 1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -24.854 4.791 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -25.859 4.358 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -25.631 5.910 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -23.175 5.243 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -23.487 3.878 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.027 6.767 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -22.527 5.933 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -24.044 5.841 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.778 4.278 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -25.231 5.086 -3.223 1.00 0.00 H new ATOM 626 N ARG A 40 -25.430 0.842 2.303 1.00 0.00 N ATOM 627 CA ARG A 40 -25.717 0.138 3.547 1.00 0.00 C ATOM 628 C ARG A 40 -27.138 0.425 4.020 1.00 0.00 C ATOM 629 O ARG A 40 -27.951 -0.488 4.164 1.00 0.00 O ATOM 630 CB ARG A 40 -24.714 0.543 4.629 1.00 0.00 C ATOM 631 CG ARG A 40 -23.679 -0.528 4.929 1.00 0.00 C ATOM 632 CD ARG A 40 -23.544 -0.767 6.423 1.00 0.00 C ATOM 633 NE ARG A 40 -24.043 -2.082 6.814 1.00 0.00 N ATOM 634 CZ ARG A 40 -23.360 -3.209 6.643 1.00 0.00 C ATOM 635 NH1 ARG A 40 -22.154 -3.182 6.092 1.00 0.00 N ATOM 636 NH2 ARG A 40 -23.885 -4.367 7.023 1.00 0.00 N ATOM 0 H ARG A 40 -25.369 0.240 1.482 1.00 0.00 H new ATOM 0 HA ARG A 40 -25.626 -0.932 3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -24.203 1.453 4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.256 0.780 5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -23.962 -1.457 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -22.715 -0.229 4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -22.497 -0.676 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -24.092 0.004 6.964 1.00 0.00 H new ATOM 0 HE ARG A 40 -24.967 -2.139 7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.747 -2.294 5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.633 -4.049 5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -24.813 -4.392 7.446 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.361 -5.232 6.892 1.00 0.00 H new ATOM 650 N LYS A 41 -27.432 1.699 4.258 1.00 0.00 N ATOM 651 CA LYS A 41 -28.757 2.104 4.713 1.00 0.00 C ATOM 652 C LYS A 41 -29.241 3.338 3.957 1.00 0.00 C ATOM 653 O LYS A 41 -30.272 3.919 4.295 1.00 0.00 O ATOM 654 CB LYS A 41 -28.738 2.387 6.216 1.00 0.00 C ATOM 655 CG LYS A 41 -27.565 3.247 6.659 1.00 0.00 C ATOM 656 CD LYS A 41 -28.021 4.631 7.090 1.00 0.00 C ATOM 657 CE LYS A 41 -27.535 5.702 6.127 1.00 0.00 C ATOM 658 NZ LYS A 41 -28.451 6.876 6.093 1.00 0.00 N ATOM 0 H LYS A 41 -26.772 2.468 4.144 1.00 0.00 H new ATOM 0 HA LYS A 41 -29.448 1.285 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -29.667 2.883 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -28.708 1.440 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -27.047 2.760 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -26.849 3.337 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -29.109 4.656 7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -27.646 4.843 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -26.537 6.028 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -27.450 5.279 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -28.084 7.583 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -29.397 6.570 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -28.512 7.296 7.042 1.00 0.00 H new ATOM 672 N ALA A 42 -28.489 3.733 2.934 1.00 0.00 N ATOM 673 CA ALA A 42 -28.841 4.897 2.131 1.00 0.00 C ATOM 674 C ALA A 42 -28.912 4.542 0.650 1.00 0.00 C ATOM 675 O ALA A 42 -29.831 3.787 0.267 1.00 0.00 O ATOM 676 CB ALA A 42 -27.835 6.015 2.358 1.00 0.00 C ATOM 677 OXT ALA A 42 -28.049 5.021 -0.114 1.00 0.00 O ATOM 0 H ALA A 42 -27.632 3.263 2.642 1.00 0.00 H new ATOM 0 HA ALA A 42 -29.828 5.239 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -28.109 6.879 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -27.834 6.295 3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -26.840 5.673 2.073 1.00 0.00 H new TER 683 ALA A 42