USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 432 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 23 LYS NZ :NH3+ -118:sc= 1.55 (180deg=0.27) USER MOD Set 1.2: A 32 ASN : amide:sc= -3.13 K(o=-1.6,f=-13!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0235 X(o=-0.024,f=-0.27) USER MOD Single : A 17 LYS NZ :NH3+ -116:sc= 0.88 (180deg=0.231) USER MOD Single : A 20 TYR OH : rot 180:sc= 0.782 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 119:sc= 0.972 USER MOD Single : A 39 ASN : amide:sc= 0.382 K(o=0.38,f=-4.8!) USER MOD Single : A 42 CYS SG : rot 40:sc= -0.99 USER MOD Single : A 51 ASN :FLIP amide:sc= -1.17 F(o=-1.9!,f=-1.2) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0.26 X(o=0.26,f=-0.21) USER MOD Single : B 6 THR OG1 : rot 21:sc= 0.0325 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.328 3.586 -3.306 1.00 0.00 N ATOM 26 CA PHE A 3 6.980 4.902 -3.323 1.00 0.00 C ATOM 27 C PHE A 3 8.362 4.787 -3.976 1.00 0.00 C ATOM 28 O PHE A 3 9.253 4.117 -3.453 1.00 0.00 O ATOM 29 CB PHE A 3 7.094 5.459 -1.878 1.00 0.00 C ATOM 30 CG PHE A 3 5.760 5.573 -1.154 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.835 6.548 -1.520 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.419 4.696 -0.119 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.618 6.653 -0.870 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.201 4.804 0.530 1.00 0.00 C ATOM 35 CZ PHE A 3 3.301 5.780 0.154 1.00 0.00 C ATOM 0 HA PHE A 3 6.378 5.597 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.755 4.813 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.562 6.443 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.071 7.231 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.115 3.925 0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.915 7.418 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.955 4.123 1.332 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.350 5.862 0.659 1.00 0.00 H new ATOM 45 N VAL A 4 8.527 5.444 -5.129 1.00 0.00 N ATOM 46 CA VAL A 4 9.808 5.497 -5.828 1.00 0.00 C ATOM 47 C VAL A 4 10.637 6.621 -5.232 1.00 0.00 C ATOM 48 O VAL A 4 10.126 7.721 -5.029 1.00 0.00 O ATOM 49 CB VAL A 4 9.639 5.736 -7.369 1.00 0.00 C ATOM 50 CG1 VAL A 4 11.012 5.708 -8.098 1.00 0.00 C ATOM 51 CG2 VAL A 4 8.646 4.719 -7.981 1.00 0.00 C ATOM 0 H VAL A 4 7.777 5.951 -5.599 1.00 0.00 H new ATOM 0 HA VAL A 4 10.302 4.533 -5.703 1.00 0.00 H new ATOM 0 HB VAL A 4 9.219 6.732 -7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.861 5.877 -9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.654 6.490 -7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.484 4.737 -7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.546 4.906 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.018 3.707 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.673 4.827 -7.502 1.00 0.00 H new ATOM 61 N VAL A 5 11.896 6.330 -4.920 1.00 0.00 N ATOM 62 CA VAL A 5 12.864 7.343 -4.489 1.00 0.00 C ATOM 63 C VAL A 5 13.778 7.711 -5.673 1.00 0.00 C ATOM 64 O VAL A 5 14.393 6.842 -6.275 1.00 0.00 O ATOM 65 CB VAL A 5 13.688 6.892 -3.210 1.00 0.00 C ATOM 66 CG1 VAL A 5 14.102 5.405 -3.255 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.918 7.804 -2.963 1.00 0.00 C ATOM 0 H VAL A 5 12.278 5.385 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 5 12.317 8.233 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 5 13.010 7.006 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.662 5.156 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.210 4.781 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.726 5.227 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.454 7.460 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.581 7.763 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.585 8.830 -2.809 1.00 0.00 H new ATOM 77 N GLU A 6 13.783 9.008 -6.027 1.00 0.00 N ATOM 78 CA GLU A 6 14.699 9.601 -7.021 1.00 0.00 C ATOM 79 C GLU A 6 16.164 9.283 -6.673 1.00 0.00 C ATOM 80 O GLU A 6 16.886 8.665 -7.467 1.00 0.00 O ATOM 81 CB GLU A 6 14.476 11.146 -7.062 1.00 0.00 C ATOM 82 CG GLU A 6 15.378 11.947 -8.024 1.00 0.00 C ATOM 83 CD GLU A 6 15.224 11.519 -9.490 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.149 11.768 -10.081 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.165 10.926 -10.061 1.00 0.00 O ATOM 0 H GLU A 6 13.139 9.688 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 6 14.487 9.173 -8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.437 11.334 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.618 11.538 -6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.143 13.008 -7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.419 11.825 -7.723 1.00 0.00 H new ATOM 92 N LYS A 7 16.572 9.681 -5.456 1.00 0.00 N ATOM 93 CA LYS A 7 17.966 9.573 -4.999 1.00 0.00 C ATOM 94 C LYS A 7 18.059 9.731 -3.474 1.00 0.00 C ATOM 95 O LYS A 7 17.133 10.240 -2.824 1.00 0.00 O ATOM 96 CB LYS A 7 18.842 10.650 -5.694 1.00 0.00 C ATOM 97 CG LYS A 7 18.393 12.107 -5.434 1.00 0.00 C ATOM 98 CD LYS A 7 19.302 13.141 -6.135 1.00 0.00 C ATOM 99 CE LYS A 7 20.756 13.115 -5.621 1.00 0.00 C ATOM 100 NZ LYS A 7 21.648 13.997 -6.418 1.00 0.00 N ATOM 0 H LYS A 7 15.944 10.087 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 7 18.334 8.582 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.872 10.535 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.836 10.467 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.368 12.235 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.392 12.297 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.299 12.950 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.888 14.139 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.776 13.428 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.133 12.093 -5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.615 13.948 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.650 13.684 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.304 14.977 -6.365 1.00 0.00 H new ATOM 114 N VAL A 8 19.193 9.285 -2.923 1.00 0.00 N ATOM 115 CA VAL A 8 19.532 9.467 -1.508 1.00 0.00 C ATOM 116 C VAL A 8 20.192 10.847 -1.337 1.00 0.00 C ATOM 117 O VAL A 8 21.248 11.117 -1.926 1.00 0.00 O ATOM 118 CB VAL A 8 20.491 8.335 -0.994 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.891 8.567 0.483 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.863 6.925 -1.198 1.00 0.00 C ATOM 0 H VAL A 8 19.907 8.783 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 8 18.620 9.409 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 8 21.402 8.377 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.555 7.767 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.404 9.525 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.996 8.573 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.552 6.164 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.925 6.861 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.672 6.762 -2.259 1.00 0.00 H new ATOM 130 N LEU A 9 19.533 11.724 -0.566 1.00 0.00 N ATOM 131 CA LEU A 9 20.000 13.102 -0.339 1.00 0.00 C ATOM 132 C LEU A 9 21.056 13.172 0.769 1.00 0.00 C ATOM 133 O LEU A 9 22.003 13.967 0.676 1.00 0.00 O ATOM 134 CB LEU A 9 18.809 14.045 -0.002 1.00 0.00 C ATOM 135 CG LEU A 9 17.747 14.232 -1.131 1.00 0.00 C ATOM 136 CD1 LEU A 9 16.685 15.289 -0.754 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.409 14.570 -2.484 1.00 0.00 C ATOM 0 H LEU A 9 18.663 11.500 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 9 20.464 13.437 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.305 13.659 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.209 15.025 0.260 1.00 0.00 H new ATOM 0 HG LEU A 9 17.233 13.277 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.966 15.388 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.167 14.977 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.172 16.249 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.639 14.693 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.977 15.495 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.079 13.761 -2.773 1.00 0.00 H new ATOM 149 N ASP A 10 20.902 12.325 1.804 1.00 0.00 N ATOM 150 CA ASP A 10 21.726 12.412 3.023 1.00 0.00 C ATOM 151 C ASP A 10 21.613 11.126 3.857 1.00 0.00 C ATOM 152 O ASP A 10 20.708 10.323 3.642 1.00 0.00 O ATOM 153 CB ASP A 10 21.288 13.656 3.851 1.00 0.00 C ATOM 154 CG ASP A 10 22.213 13.980 5.034 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.447 14.013 4.837 1.00 0.00 O ATOM 156 OD2 ASP A 10 21.716 14.194 6.162 1.00 0.00 O ATOM 0 H ASP A 10 20.214 11.572 1.820 1.00 0.00 H new ATOM 0 HA ASP A 10 22.773 12.523 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.244 14.522 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.278 13.491 4.228 1.00 0.00 H new ATOM 161 N ARG A 11 22.569 10.933 4.781 1.00 0.00 N ATOM 162 CA ARG A 11 22.562 9.835 5.770 1.00 0.00 C ATOM 163 C ARG A 11 22.520 10.424 7.194 1.00 0.00 C ATOM 164 O ARG A 11 23.037 11.516 7.436 1.00 0.00 O ATOM 165 CB ARG A 11 23.838 8.951 5.601 1.00 0.00 C ATOM 166 CG ARG A 11 24.030 7.855 6.684 1.00 0.00 C ATOM 167 CD ARG A 11 25.407 7.169 6.632 1.00 0.00 C ATOM 168 NE ARG A 11 25.503 6.104 5.622 1.00 0.00 N ATOM 169 CZ ARG A 11 26.649 5.570 5.196 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.819 6.128 5.492 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.616 4.495 4.445 1.00 0.00 N ATOM 0 H ARG A 11 23.382 11.543 4.865 1.00 0.00 H new ATOM 0 HA ARG A 11 21.680 9.215 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.801 8.471 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.714 9.600 5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 11 23.893 8.302 7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.253 7.100 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 11 26.169 7.921 6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 11 25.630 6.748 7.612 1.00 0.00 H new ATOM 0 HE ARG A 11 24.635 5.750 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.851 6.979 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.685 5.705 5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.721 4.076 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.486 4.078 4.113 1.00 0.00 H new ATOM 185 N ARG A 12 21.892 9.684 8.126 1.00 0.00 N ATOM 186 CA ARG A 12 22.008 9.921 9.576 1.00 0.00 C ATOM 187 C ARG A 12 22.293 8.578 10.270 1.00 0.00 C ATOM 188 O ARG A 12 22.067 7.504 9.688 1.00 0.00 O ATOM 189 CB ARG A 12 20.713 10.567 10.153 1.00 0.00 C ATOM 190 CG ARG A 12 19.511 9.604 10.279 1.00 0.00 C ATOM 191 CD ARG A 12 18.240 10.282 10.821 1.00 0.00 C ATOM 192 NE ARG A 12 17.152 9.310 11.052 1.00 0.00 N ATOM 193 CZ ARG A 12 15.878 9.617 11.335 1.00 0.00 C ATOM 194 NH1 ARG A 12 15.474 10.882 11.429 1.00 0.00 N ATOM 195 NH2 ARG A 12 15.000 8.643 11.531 1.00 0.00 N ATOM 0 H ARG A 12 21.285 8.899 7.892 1.00 0.00 H new ATOM 0 HA ARG A 12 22.825 10.619 9.759 1.00 0.00 H new ATOM 0 HB2 ARG A 12 20.936 10.978 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.426 11.403 9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.296 9.173 9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.783 8.779 10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.472 10.795 11.754 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.904 11.041 10.115 1.00 0.00 H new ATOM 0 HE ARG A 12 17.390 8.320 10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.139 11.642 11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.499 11.091 11.645 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.296 7.669 11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.029 8.868 11.747 1.00 0.00 H new ATOM 209 N VAL A 13 22.813 8.642 11.497 1.00 0.00 N ATOM 210 CA VAL A 13 22.896 7.489 12.400 1.00 0.00 C ATOM 211 C VAL A 13 22.115 7.840 13.673 1.00 0.00 C ATOM 212 O VAL A 13 22.536 8.703 14.451 1.00 0.00 O ATOM 213 CB VAL A 13 24.380 7.093 12.755 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.424 5.903 13.762 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.192 6.775 11.469 1.00 0.00 C ATOM 0 H VAL A 13 23.192 9.501 11.896 1.00 0.00 H new ATOM 0 HA VAL A 13 22.468 6.620 11.900 1.00 0.00 H new ATOM 0 HB VAL A 13 24.847 7.949 13.242 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.461 5.654 13.986 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.912 6.185 14.682 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.930 5.036 13.323 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.212 6.505 11.741 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.725 5.944 10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.209 7.653 10.823 1.00 0.00 H new ATOM 225 N VAL A 14 20.952 7.199 13.838 1.00 0.00 N ATOM 226 CA VAL A 14 20.082 7.354 15.019 1.00 0.00 C ATOM 227 C VAL A 14 19.854 5.969 15.636 1.00 0.00 C ATOM 228 O VAL A 14 19.488 5.022 14.926 1.00 0.00 O ATOM 229 CB VAL A 14 18.710 8.048 14.642 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.656 7.945 15.774 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.933 9.528 14.252 1.00 0.00 C ATOM 0 H VAL A 14 20.580 6.548 13.147 1.00 0.00 H new ATOM 0 HA VAL A 14 20.568 8.005 15.746 1.00 0.00 H new ATOM 0 HB VAL A 14 18.313 7.506 13.783 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.736 8.438 15.460 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.452 6.896 15.986 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.039 8.429 16.673 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.977 9.985 13.997 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.378 10.062 15.091 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.601 9.581 13.393 1.00 0.00 H new ATOM 241 N ASN A 15 20.102 5.875 16.961 1.00 0.00 N ATOM 242 CA ASN A 15 19.981 4.632 17.759 1.00 0.00 C ATOM 243 C ASN A 15 21.023 3.576 17.335 1.00 0.00 C ATOM 244 O ASN A 15 20.850 2.373 17.590 1.00 0.00 O ATOM 245 CB ASN A 15 18.531 4.058 17.696 1.00 0.00 C ATOM 246 CG ASN A 15 17.459 5.060 18.130 1.00 0.00 C ATOM 247 OD1 ASN A 15 17.687 5.908 18.997 1.00 0.00 O ATOM 248 ND2 ASN A 15 16.287 4.979 17.523 1.00 0.00 N ATOM 0 H ASN A 15 20.398 6.677 17.518 1.00 0.00 H new ATOM 0 HA ASN A 15 20.190 4.892 18.797 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.322 3.732 16.677 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.470 3.175 18.332 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.540 5.629 17.768 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.130 4.266 16.810 1.00 0.00 H new ATOM 255 N GLY A 16 22.119 4.052 16.705 1.00 0.00 N ATOM 256 CA GLY A 16 23.164 3.178 16.162 1.00 0.00 C ATOM 257 C GLY A 16 22.795 2.557 14.811 1.00 0.00 C ATOM 258 O GLY A 16 23.529 1.710 14.292 1.00 0.00 O ATOM 0 H GLY A 16 22.297 5.046 16.563 1.00 0.00 H new ATOM 0 HA2 GLY A 16 24.085 3.750 16.051 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.368 2.381 16.877 1.00 0.00 H new ATOM 262 N LYS A 17 21.647 2.980 14.245 1.00 0.00 N ATOM 263 CA LYS A 17 21.115 2.470 12.988 1.00 0.00 C ATOM 264 C LYS A 17 21.356 3.496 11.869 1.00 0.00 C ATOM 265 O LYS A 17 21.259 4.710 12.086 1.00 0.00 O ATOM 266 CB LYS A 17 19.599 2.135 13.180 1.00 0.00 C ATOM 267 CG LYS A 17 18.717 2.333 11.940 1.00 0.00 C ATOM 268 CD LYS A 17 17.237 1.932 12.155 1.00 0.00 C ATOM 269 CE LYS A 17 17.073 0.469 12.607 1.00 0.00 C ATOM 270 NZ LYS A 17 17.687 -0.491 11.652 1.00 0.00 N ATOM 0 H LYS A 17 21.060 3.700 14.666 1.00 0.00 H new ATOM 0 HA LYS A 17 21.626 1.553 12.694 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.512 1.098 13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.207 2.755 13.986 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.760 3.380 11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.127 1.747 11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.792 2.590 12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.686 2.084 11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.528 0.342 13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.012 0.242 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.946 -1.093 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.169 0.033 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.377 -1.086 12.153 1.00 0.00 H new ATOM 284 N VAL A 18 21.656 2.970 10.675 1.00 0.00 N ATOM 285 CA VAL A 18 21.966 3.770 9.483 1.00 0.00 C ATOM 286 C VAL A 18 20.669 4.037 8.694 1.00 0.00 C ATOM 287 O VAL A 18 19.984 3.103 8.254 1.00 0.00 O ATOM 288 CB VAL A 18 23.029 3.050 8.572 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.366 3.885 7.314 1.00 0.00 C ATOM 290 CG2 VAL A 18 24.313 2.721 9.379 1.00 0.00 C ATOM 0 H VAL A 18 21.691 1.964 10.507 1.00 0.00 H new ATOM 0 HA VAL A 18 22.398 4.719 9.802 1.00 0.00 H new ATOM 0 HB VAL A 18 22.588 2.113 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 18 24.103 3.354 6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.461 4.040 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.772 4.850 7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 18 25.034 2.224 8.730 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.747 3.644 9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 18 24.061 2.064 10.211 1.00 0.00 H new ATOM 300 N GLU A 19 20.331 5.322 8.542 1.00 0.00 N ATOM 301 CA GLU A 19 19.119 5.781 7.841 1.00 0.00 C ATOM 302 C GLU A 19 19.499 6.822 6.790 1.00 0.00 C ATOM 303 O GLU A 19 20.597 7.380 6.834 1.00 0.00 O ATOM 304 CB GLU A 19 18.099 6.348 8.861 1.00 0.00 C ATOM 305 CG GLU A 19 17.670 5.323 9.922 1.00 0.00 C ATOM 306 CD GLU A 19 16.728 5.887 10.978 1.00 0.00 C ATOM 307 OE1 GLU A 19 17.216 6.452 11.977 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.496 5.791 10.808 1.00 0.00 O ATOM 0 H GLU A 19 20.898 6.087 8.907 1.00 0.00 H new ATOM 0 HA GLU A 19 18.647 4.941 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.535 7.215 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.216 6.698 8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.183 4.483 9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.559 4.930 10.415 1.00 0.00 H new ATOM 315 N TYR A 20 18.590 7.071 5.841 1.00 0.00 N ATOM 316 CA TYR A 20 18.851 7.922 4.668 1.00 0.00 C ATOM 317 C TYR A 20 17.623 8.777 4.354 1.00 0.00 C ATOM 318 O TYR A 20 16.505 8.261 4.333 1.00 0.00 O ATOM 319 CB TYR A 20 19.181 7.057 3.422 1.00 0.00 C ATOM 320 CG TYR A 20 20.437 6.185 3.552 1.00 0.00 C ATOM 321 CD1 TYR A 20 21.706 6.749 3.477 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.357 4.805 3.770 1.00 0.00 C ATOM 323 CE1 TYR A 20 22.840 5.977 3.596 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.495 4.034 3.889 1.00 0.00 C ATOM 325 CZ TYR A 20 22.732 4.628 3.803 1.00 0.00 C ATOM 326 OH TYR A 20 23.873 3.864 3.916 1.00 0.00 O ATOM 0 H TYR A 20 17.645 6.687 5.863 1.00 0.00 H new ATOM 0 HA TYR A 20 19.703 8.561 4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.329 6.411 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.302 7.716 2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 20 21.804 7.813 3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.388 4.335 3.846 1.00 0.00 H new ATOM 0 HE1 TYR A 20 23.815 6.436 3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.415 2.969 4.049 1.00 0.00 H new ATOM 0 HH TYR A 20 23.626 2.927 4.062 1.00 0.00 H new ATOM 336 N PHE A 21 17.835 10.079 4.093 1.00 0.00 N ATOM 337 CA PHE A 21 16.762 10.977 3.664 1.00 0.00 C ATOM 338 C PHE A 21 16.507 10.727 2.176 1.00 0.00 C ATOM 339 O PHE A 21 17.335 11.085 1.327 1.00 0.00 O ATOM 340 CB PHE A 21 17.146 12.458 3.932 1.00 0.00 C ATOM 341 CG PHE A 21 15.998 13.443 3.753 1.00 0.00 C ATOM 342 CD1 PHE A 21 14.935 13.457 4.651 1.00 0.00 C ATOM 343 CD2 PHE A 21 15.971 14.345 2.690 1.00 0.00 C ATOM 344 CE1 PHE A 21 13.888 14.339 4.496 1.00 0.00 C ATOM 345 CE2 PHE A 21 14.921 15.230 2.537 1.00 0.00 C ATOM 346 CZ PHE A 21 13.878 15.223 3.436 1.00 0.00 C ATOM 0 H PHE A 21 18.747 10.529 4.174 1.00 0.00 H new ATOM 0 HA PHE A 21 15.852 10.780 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.528 12.544 4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.958 12.738 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.931 12.766 5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 21 16.782 14.352 1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.074 14.339 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.918 15.927 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.053 15.909 3.312 1.00 0.00 H new ATOM 356 N LEU A 22 15.382 10.075 1.884 1.00 0.00 N ATOM 357 CA LEU A 22 15.018 9.699 0.526 1.00 0.00 C ATOM 358 C LEU A 22 14.250 10.826 -0.147 1.00 0.00 C ATOM 359 O LEU A 22 13.208 11.246 0.366 1.00 0.00 O ATOM 360 CB LEU A 22 14.123 8.447 0.510 1.00 0.00 C ATOM 361 CG LEU A 22 14.719 7.127 1.058 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.785 5.962 0.693 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.167 6.882 0.563 1.00 0.00 C ATOM 0 H LEU A 22 14.698 9.794 2.587 1.00 0.00 H new ATOM 0 HA LEU A 22 15.946 9.493 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.223 8.671 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.811 8.272 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 22 14.788 7.203 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.199 5.030 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.803 6.131 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.689 5.898 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.539 5.944 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.175 6.828 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.807 7.701 0.891 1.00 0.00 H new ATOM 375 N LYS A 23 14.753 11.293 -1.295 1.00 0.00 N ATOM 376 CA LYS A 23 13.998 12.159 -2.176 1.00 0.00 C ATOM 377 C LYS A 23 13.021 11.260 -2.946 1.00 0.00 C ATOM 378 O LYS A 23 13.435 10.601 -3.884 1.00 0.00 O ATOM 379 CB LYS A 23 14.939 12.945 -3.158 1.00 0.00 C ATOM 380 CG LYS A 23 14.361 14.266 -3.731 1.00 0.00 C ATOM 381 CD LYS A 23 13.101 14.067 -4.596 1.00 0.00 C ATOM 382 CE LYS A 23 12.474 15.385 -5.056 1.00 0.00 C ATOM 383 NZ LYS A 23 11.959 16.176 -3.905 1.00 0.00 N ATOM 0 H LYS A 23 15.692 11.076 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 23 13.462 12.915 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.869 13.173 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.193 12.290 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.122 14.936 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.128 14.758 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.359 13.469 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.364 13.500 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.215 15.971 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.660 15.179 -5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.931 16.298 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.167 15.674 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.419 17.109 -3.891 1.00 0.00 H new ATOM 397 N TRP A 24 11.751 11.205 -2.513 1.00 0.00 N ATOM 398 CA TRP A 24 10.690 10.528 -3.275 1.00 0.00 C ATOM 399 C TRP A 24 10.486 11.258 -4.623 1.00 0.00 C ATOM 400 O TRP A 24 10.255 12.468 -4.632 1.00 0.00 O ATOM 401 CB TRP A 24 9.368 10.478 -2.476 1.00 0.00 C ATOM 402 CG TRP A 24 9.444 9.809 -1.119 1.00 0.00 C ATOM 403 CD1 TRP A 24 9.184 10.386 0.088 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.796 8.445 -0.837 1.00 0.00 C ATOM 405 NE1 TRP A 24 9.333 9.471 1.093 1.00 0.00 N ATOM 406 CE2 TRP A 24 9.709 8.271 0.552 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.162 7.355 -1.620 1.00 0.00 C ATOM 408 CZ2 TRP A 24 9.979 7.058 1.176 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.433 6.150 -1.003 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.327 6.007 0.384 1.00 0.00 C ATOM 0 H TRP A 24 11.434 11.622 -1.638 1.00 0.00 H new ATOM 0 HA TRP A 24 10.995 9.498 -3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.010 11.498 -2.338 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.622 9.957 -3.076 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.901 11.418 0.230 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.187 9.653 2.086 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.233 7.450 -2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.915 6.954 2.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.732 5.303 -1.602 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.525 5.046 0.835 1.00 0.00 H new ATOM 421 N LYS A 25 10.562 10.491 -5.720 1.00 0.00 N ATOM 422 CA LYS A 25 10.723 10.987 -7.101 1.00 0.00 C ATOM 423 C LYS A 25 9.698 12.080 -7.488 1.00 0.00 C ATOM 424 O LYS A 25 10.081 13.182 -7.891 1.00 0.00 O ATOM 425 CB LYS A 25 10.648 9.777 -8.067 1.00 0.00 C ATOM 426 CG LYS A 25 10.989 10.091 -9.536 1.00 0.00 C ATOM 427 CD LYS A 25 10.832 8.864 -10.463 1.00 0.00 C ATOM 428 CE LYS A 25 9.383 8.355 -10.547 1.00 0.00 C ATOM 429 NZ LYS A 25 9.256 7.183 -11.450 1.00 0.00 N ATOM 0 H LYS A 25 10.512 9.473 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 25 11.695 11.474 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.328 9.004 -7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.642 9.360 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.342 10.894 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.014 10.457 -9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.178 9.125 -11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.473 8.059 -10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.036 8.084 -9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.737 9.158 -10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.264 6.872 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.563 7.448 -12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.852 6.407 -11.098 1.00 0.00 H new ATOM 443 N GLY A 26 8.404 11.779 -7.323 1.00 0.00 N ATOM 444 CA GLY A 26 7.328 12.712 -7.683 1.00 0.00 C ATOM 445 C GLY A 26 6.703 13.395 -6.467 1.00 0.00 C ATOM 446 O GLY A 26 5.508 13.726 -6.474 1.00 0.00 O ATOM 0 H GLY A 26 8.075 10.892 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.723 13.472 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.554 12.173 -8.229 1.00 0.00 H new ATOM 450 N PHE A 27 7.514 13.602 -5.406 1.00 0.00 N ATOM 451 CA PHE A 27 7.061 14.226 -4.147 1.00 0.00 C ATOM 452 C PHE A 27 8.095 15.269 -3.665 1.00 0.00 C ATOM 453 O PHE A 27 9.308 15.059 -3.793 1.00 0.00 O ATOM 454 CB PHE A 27 6.823 13.147 -3.057 1.00 0.00 C ATOM 455 CG PHE A 27 5.756 12.099 -3.411 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.395 12.392 -3.278 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.105 10.823 -3.867 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.424 11.446 -3.582 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.135 9.881 -4.168 1.00 0.00 C ATOM 460 CZ PHE A 27 3.794 10.194 -4.026 1.00 0.00 C ATOM 0 H PHE A 27 8.500 13.341 -5.400 1.00 0.00 H new ATOM 0 HA PHE A 27 6.115 14.735 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.765 12.634 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.532 13.644 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.094 13.370 -2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.148 10.568 -3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.378 11.691 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.426 8.900 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.039 9.459 -4.263 1.00 0.00 H new ATOM 470 N THR A 28 7.586 16.386 -3.109 1.00 0.00 N ATOM 471 CA THR A 28 8.397 17.542 -2.673 1.00 0.00 C ATOM 472 C THR A 28 9.347 17.181 -1.507 1.00 0.00 C ATOM 473 O THR A 28 9.113 16.206 -0.793 1.00 0.00 O ATOM 474 CB THR A 28 7.460 18.721 -2.250 1.00 0.00 C ATOM 475 OG1 THR A 28 6.596 18.294 -1.183 1.00 0.00 O ATOM 476 CG2 THR A 28 6.597 19.235 -3.421 1.00 0.00 C ATOM 0 H THR A 28 6.587 16.513 -2.948 1.00 0.00 H new ATOM 0 HA THR A 28 9.015 17.845 -3.518 1.00 0.00 H new ATOM 0 HB THR A 28 8.100 19.540 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.011 19.035 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.965 20.053 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.245 19.591 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.971 18.425 -3.794 1.00 0.00 H new ATOM 484 N ASP A 29 10.407 17.995 -1.323 1.00 0.00 N ATOM 485 CA ASP A 29 11.449 17.756 -0.293 1.00 0.00 C ATOM 486 C ASP A 29 10.875 17.816 1.136 1.00 0.00 C ATOM 487 O ASP A 29 11.321 17.082 2.021 1.00 0.00 O ATOM 488 CB ASP A 29 12.614 18.762 -0.449 1.00 0.00 C ATOM 489 CG ASP A 29 12.165 20.229 -0.300 1.00 0.00 C ATOM 490 OD1 ASP A 29 11.747 20.832 -1.307 1.00 0.00 O ATOM 491 OD2 ASP A 29 12.197 20.772 0.831 1.00 0.00 O ATOM 0 H ASP A 29 10.568 18.834 -1.880 1.00 0.00 H new ATOM 0 HA ASP A 29 11.830 16.747 -0.450 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.378 18.544 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.076 18.626 -1.427 1.00 0.00 H new ATOM 496 N ALA A 30 9.883 18.705 1.340 1.00 0.00 N ATOM 497 CA ALA A 30 9.168 18.849 2.631 1.00 0.00 C ATOM 498 C ALA A 30 8.289 17.616 2.933 1.00 0.00 C ATOM 499 O ALA A 30 7.884 17.385 4.080 1.00 0.00 O ATOM 500 CB ALA A 30 8.320 20.133 2.625 1.00 0.00 C ATOM 0 H ALA A 30 9.552 19.345 0.617 1.00 0.00 H new ATOM 0 HA ALA A 30 9.913 18.920 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.799 20.229 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.968 20.997 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.591 20.084 1.816 1.00 0.00 H new ATOM 506 N ASP A 31 7.989 16.849 1.876 1.00 0.00 N ATOM 507 CA ASP A 31 7.175 15.625 1.940 1.00 0.00 C ATOM 508 C ASP A 31 8.073 14.367 1.946 1.00 0.00 C ATOM 509 O ASP A 31 7.629 13.277 2.320 1.00 0.00 O ATOM 510 CB ASP A 31 6.210 15.625 0.730 1.00 0.00 C ATOM 511 CG ASP A 31 5.161 14.506 0.747 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.543 14.265 1.807 1.00 0.00 O ATOM 513 OD2 ASP A 31 4.909 13.902 -0.310 1.00 0.00 O ATOM 0 H ASP A 31 8.311 17.066 0.933 1.00 0.00 H new ATOM 0 HA ASP A 31 6.600 15.605 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.696 16.586 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.796 15.541 -0.185 1.00 0.00 H new ATOM 518 N ASN A 32 9.341 14.527 1.517 1.00 0.00 N ATOM 519 CA ASN A 32 10.346 13.447 1.546 1.00 0.00 C ATOM 520 C ASN A 32 10.730 13.081 2.996 1.00 0.00 C ATOM 521 O ASN A 32 10.760 13.954 3.869 1.00 0.00 O ATOM 522 CB ASN A 32 11.583 13.861 0.715 1.00 0.00 C ATOM 523 CG ASN A 32 11.299 14.084 -0.783 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.006 14.828 -1.453 1.00 0.00 O ATOM 525 ND2 ASN A 32 10.257 13.459 -1.328 1.00 0.00 N ATOM 0 H ASN A 32 9.696 15.407 1.142 1.00 0.00 H new ATOM 0 HA ASN A 32 9.915 12.552 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 32 11.997 14.778 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.348 13.091 0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.039 13.597 -2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.677 12.843 -0.759 1.00 0.00 H new ATOM 532 N THR A 33 11.035 11.784 3.239 1.00 0.00 N ATOM 533 CA THR A 33 11.136 11.211 4.608 1.00 0.00 C ATOM 534 C THR A 33 12.490 10.502 4.851 1.00 0.00 C ATOM 535 O THR A 33 13.237 10.209 3.906 1.00 0.00 O ATOM 536 CB THR A 33 9.971 10.184 4.862 1.00 0.00 C ATOM 537 OG1 THR A 33 9.968 9.182 3.835 1.00 0.00 O ATOM 538 CG2 THR A 33 8.584 10.853 4.906 1.00 0.00 C ATOM 0 H THR A 33 11.217 11.107 2.498 1.00 0.00 H new ATOM 0 HA THR A 33 11.059 12.048 5.302 1.00 0.00 H new ATOM 0 HB THR A 33 10.158 9.737 5.838 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.110 8.300 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.820 10.096 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.560 11.588 5.710 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.389 11.349 3.955 1.00 0.00 H new ATOM 546 N TRP A 34 12.784 10.237 6.143 1.00 0.00 N ATOM 547 CA TRP A 34 13.949 9.441 6.578 1.00 0.00 C ATOM 548 C TRP A 34 13.574 7.952 6.628 1.00 0.00 C ATOM 549 O TRP A 34 12.704 7.550 7.416 1.00 0.00 O ATOM 550 CB TRP A 34 14.432 9.884 7.982 1.00 0.00 C ATOM 551 CG TRP A 34 15.078 11.248 8.036 1.00 0.00 C ATOM 552 CD1 TRP A 34 14.496 12.436 8.390 1.00 0.00 C ATOM 553 CD2 TRP A 34 16.447 11.547 7.735 1.00 0.00 C ATOM 554 NE1 TRP A 34 15.425 13.444 8.342 1.00 0.00 N ATOM 555 CE2 TRP A 34 16.628 12.924 7.939 1.00 0.00 C ATOM 556 CE3 TRP A 34 17.541 10.772 7.327 1.00 0.00 C ATOM 557 CZ2 TRP A 34 17.854 13.546 7.738 1.00 0.00 C ATOM 558 CZ3 TRP A 34 18.756 11.393 7.119 1.00 0.00 C ATOM 559 CH2 TRP A 34 18.906 12.767 7.327 1.00 0.00 C ATOM 0 H TRP A 34 12.213 10.573 6.919 1.00 0.00 H new ATOM 0 HA TRP A 34 14.753 9.602 5.860 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.580 9.875 8.662 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.144 9.147 8.354 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.459 12.561 8.666 1.00 0.00 H new ATOM 0 HE1 TRP A 34 15.249 14.423 8.569 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.435 9.708 7.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 17.975 14.607 7.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 19.603 10.809 6.791 1.00 0.00 H new ATOM 0 HH2 TRP A 34 19.870 13.225 7.161 1.00 0.00 H new ATOM 570 N GLU A 35 14.235 7.138 5.792 1.00 0.00 N ATOM 571 CA GLU A 35 14.024 5.690 5.732 1.00 0.00 C ATOM 572 C GLU A 35 15.337 4.936 6.007 1.00 0.00 C ATOM 573 O GLU A 35 16.369 5.279 5.422 1.00 0.00 O ATOM 574 CB GLU A 35 13.469 5.281 4.347 1.00 0.00 C ATOM 575 CG GLU A 35 12.106 5.901 3.980 1.00 0.00 C ATOM 576 CD GLU A 35 11.057 5.719 5.084 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.921 4.595 5.597 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.366 6.694 5.455 1.00 0.00 O ATOM 0 H GLU A 35 14.938 7.473 5.133 1.00 0.00 H new ATOM 0 HA GLU A 35 13.298 5.424 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.196 5.562 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.377 4.195 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.237 6.965 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.741 5.447 3.059 1.00 0.00 H new ATOM 585 N PRO A 36 15.318 3.880 6.885 1.00 0.00 N ATOM 586 CA PRO A 36 16.512 3.046 7.156 1.00 0.00 C ATOM 587 C PRO A 36 16.892 2.182 5.936 1.00 0.00 C ATOM 588 O PRO A 36 16.041 1.876 5.096 1.00 0.00 O ATOM 589 CB PRO A 36 16.081 2.186 8.371 1.00 0.00 C ATOM 590 CG PRO A 36 14.589 2.100 8.264 1.00 0.00 C ATOM 591 CD PRO A 36 14.138 3.418 7.669 1.00 0.00 C ATOM 0 HA PRO A 36 17.406 3.635 7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.538 1.197 8.339 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.385 2.647 9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.290 1.264 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.136 1.938 9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.261 3.290 7.034 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.868 4.135 8.444 1.00 0.00 H new ATOM 599 N GLU A 37 18.178 1.789 5.871 1.00 0.00 N ATOM 600 CA GLU A 37 18.746 0.948 4.781 1.00 0.00 C ATOM 601 C GLU A 37 17.937 -0.345 4.516 1.00 0.00 C ATOM 602 O GLU A 37 17.892 -0.840 3.374 1.00 0.00 O ATOM 603 CB GLU A 37 20.253 0.624 5.064 1.00 0.00 C ATOM 604 CG GLU A 37 20.673 0.443 6.547 1.00 0.00 C ATOM 605 CD GLU A 37 19.907 -0.641 7.321 1.00 0.00 C ATOM 606 OE1 GLU A 37 20.266 -1.829 7.208 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.933 -0.315 8.045 1.00 0.00 O ATOM 0 H GLU A 37 18.866 2.046 6.579 1.00 0.00 H new ATOM 0 HA GLU A 37 18.675 1.537 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.509 -0.289 4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.857 1.425 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.736 0.206 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.543 1.394 7.063 1.00 0.00 H new ATOM 614 N GLU A 38 17.303 -0.863 5.575 1.00 0.00 N ATOM 615 CA GLU A 38 16.499 -2.086 5.513 1.00 0.00 C ATOM 616 C GLU A 38 15.217 -1.864 4.678 1.00 0.00 C ATOM 617 O GLU A 38 14.807 -2.741 3.904 1.00 0.00 O ATOM 618 CB GLU A 38 16.159 -2.555 6.954 1.00 0.00 C ATOM 619 CG GLU A 38 15.313 -1.561 7.764 1.00 0.00 C ATOM 620 CD GLU A 38 15.050 -2.014 9.204 1.00 0.00 C ATOM 621 OE1 GLU A 38 14.338 -3.022 9.400 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.553 -1.382 10.143 1.00 0.00 O ATOM 0 H GLU A 38 17.335 -0.442 6.503 1.00 0.00 H new ATOM 0 HA GLU A 38 17.075 -2.867 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.626 -3.504 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.089 -2.743 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.819 -0.596 7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.359 -1.412 7.258 1.00 0.00 H new ATOM 629 N ASN A 39 14.617 -0.662 4.817 1.00 0.00 N ATOM 630 CA ASN A 39 13.313 -0.324 4.203 1.00 0.00 C ATOM 631 C ASN A 39 13.502 0.276 2.787 1.00 0.00 C ATOM 632 O ASN A 39 12.525 0.676 2.136 1.00 0.00 O ATOM 633 CB ASN A 39 12.528 0.643 5.146 1.00 0.00 C ATOM 634 CG ASN A 39 11.017 0.706 4.867 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.426 -0.249 4.351 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.380 1.801 5.239 1.00 0.00 N ATOM 0 H ASN A 39 15.022 0.102 5.358 1.00 0.00 H new ATOM 0 HA ASN A 39 12.727 -1.235 4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.683 0.331 6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.946 1.645 5.050 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.372 1.876 5.103 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.896 2.572 5.662 1.00 0.00 H new ATOM 643 N LEU A 40 14.766 0.333 2.317 1.00 0.00 N ATOM 644 CA LEU A 40 15.093 0.757 0.940 1.00 0.00 C ATOM 645 C LEU A 40 15.062 -0.475 0.036 1.00 0.00 C ATOM 646 O LEU A 40 15.753 -1.459 0.321 1.00 0.00 O ATOM 647 CB LEU A 40 16.503 1.420 0.856 1.00 0.00 C ATOM 648 CG LEU A 40 16.854 2.490 1.939 1.00 0.00 C ATOM 649 CD1 LEU A 40 18.107 3.298 1.564 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.684 3.419 2.227 1.00 0.00 C ATOM 0 H LEU A 40 15.583 0.088 2.877 1.00 0.00 H new ATOM 0 HA LEU A 40 14.359 1.498 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.252 0.629 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.599 1.887 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 40 17.072 1.938 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.315 4.030 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.958 2.624 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.938 3.813 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.975 4.146 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.401 3.942 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.837 2.836 2.589 1.00 0.00 H new ATOM 662 N ASP A 41 14.259 -0.446 -1.037 1.00 0.00 N ATOM 663 CA ASP A 41 14.227 -1.549 -2.014 1.00 0.00 C ATOM 664 C ASP A 41 15.357 -1.363 -3.035 1.00 0.00 C ATOM 665 O ASP A 41 15.917 -2.346 -3.521 1.00 0.00 O ATOM 666 CB ASP A 41 12.857 -1.633 -2.718 1.00 0.00 C ATOM 667 CG ASP A 41 12.786 -2.747 -3.780 1.00 0.00 C ATOM 668 OD1 ASP A 41 12.756 -3.932 -3.400 1.00 0.00 O ATOM 669 OD2 ASP A 41 12.745 -2.441 -4.993 1.00 0.00 O ATOM 0 H ASP A 41 13.625 0.324 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 41 14.377 -2.490 -1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.082 -1.803 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.640 -0.675 -3.191 1.00 0.00 H new ATOM 674 N CYS A 42 15.661 -0.089 -3.340 1.00 0.00 N ATOM 675 CA CYS A 42 16.783 0.314 -4.199 1.00 0.00 C ATOM 676 C CYS A 42 18.141 0.093 -3.475 1.00 0.00 C ATOM 677 O CYS A 42 18.431 0.801 -2.515 1.00 0.00 O ATOM 678 CB CYS A 42 16.629 1.810 -4.555 1.00 0.00 C ATOM 679 SG CYS A 42 16.452 2.901 -3.124 1.00 0.00 S ATOM 0 H CYS A 42 15.122 0.702 -2.988 1.00 0.00 H new ATOM 0 HA CYS A 42 16.772 -0.294 -5.103 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.498 2.125 -5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.758 1.930 -5.199 1.00 0.00 H new ATOM 0 HG CYS A 42 17.253 2.509 -2.178 1.00 0.00 H new ATOM 685 N PRO A 43 18.985 -0.908 -3.893 1.00 0.00 N ATOM 686 CA PRO A 43 20.367 -1.043 -3.378 1.00 0.00 C ATOM 687 C PRO A 43 21.373 -0.195 -4.192 1.00 0.00 C ATOM 688 O PRO A 43 22.463 0.131 -3.711 1.00 0.00 O ATOM 689 CB PRO A 43 20.630 -2.555 -3.535 1.00 0.00 C ATOM 690 CG PRO A 43 19.867 -2.943 -4.767 1.00 0.00 C ATOM 691 CD PRO A 43 18.662 -2.013 -4.838 1.00 0.00 C ATOM 0 HA PRO A 43 20.485 -0.686 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.694 -2.763 -3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.285 -3.111 -2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.489 -2.842 -5.657 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.551 -3.985 -4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.510 -1.638 -5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.746 -2.528 -4.548 1.00 0.00 H new ATOM 699 N GLU A 44 20.960 0.178 -5.420 1.00 0.00 N ATOM 700 CA GLU A 44 21.812 0.864 -6.397 1.00 0.00 C ATOM 701 C GLU A 44 21.996 2.346 -6.017 1.00 0.00 C ATOM 702 O GLU A 44 23.071 2.903 -6.221 1.00 0.00 O ATOM 703 CB GLU A 44 21.192 0.720 -7.813 1.00 0.00 C ATOM 704 CG GLU A 44 22.100 1.201 -8.969 1.00 0.00 C ATOM 705 CD GLU A 44 21.527 0.920 -10.371 1.00 0.00 C ATOM 706 OE1 GLU A 44 21.332 -0.265 -10.722 1.00 0.00 O ATOM 707 OE2 GLU A 44 21.264 1.880 -11.125 1.00 0.00 O ATOM 0 H GLU A 44 20.014 0.007 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 44 22.800 0.404 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.940 -0.327 -7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.258 1.282 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 44 22.268 2.273 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 44 23.072 0.716 -8.881 1.00 0.00 H new ATOM 714 N LEU A 45 20.937 2.969 -5.453 1.00 0.00 N ATOM 715 CA LEU A 45 20.999 4.367 -4.967 1.00 0.00 C ATOM 716 C LEU A 45 21.882 4.472 -3.711 1.00 0.00 C ATOM 717 O LEU A 45 22.540 5.493 -3.496 1.00 0.00 O ATOM 718 CB LEU A 45 19.585 4.922 -4.664 1.00 0.00 C ATOM 719 CG LEU A 45 18.601 5.039 -5.867 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.275 5.681 -5.412 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.231 5.818 -7.044 1.00 0.00 C ATOM 0 H LEU A 45 20.028 2.525 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 45 21.442 4.968 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.124 4.284 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.697 5.911 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 45 18.388 4.034 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.597 5.757 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.819 5.064 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.471 6.677 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.516 5.879 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.494 6.824 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.129 5.301 -7.383 1.00 0.00 H new ATOM 733 N ILE A 46 21.880 3.404 -2.889 1.00 0.00 N ATOM 734 CA ILE A 46 22.703 3.337 -1.666 1.00 0.00 C ATOM 735 C ILE A 46 24.186 3.252 -2.062 1.00 0.00 C ATOM 736 O ILE A 46 25.028 3.980 -1.527 1.00 0.00 O ATOM 737 CB ILE A 46 22.338 2.094 -0.770 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.797 1.987 -0.563 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.074 2.155 0.594 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.339 0.744 0.193 1.00 0.00 C ATOM 0 H ILE A 46 21.314 2.571 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 46 22.506 4.237 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 46 22.671 1.198 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.455 2.870 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.311 2.001 -1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 46 22.804 1.285 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.151 2.160 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 46 22.785 3.063 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.253 0.756 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.645 -0.148 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.791 0.734 1.185 1.00 0.00 H new ATOM 752 N GLU A 47 24.467 2.361 -3.031 1.00 0.00 N ATOM 753 CA GLU A 47 25.818 2.145 -3.569 1.00 0.00 C ATOM 754 C GLU A 47 26.345 3.426 -4.229 1.00 0.00 C ATOM 755 O GLU A 47 27.480 3.824 -3.994 1.00 0.00 O ATOM 756 CB GLU A 47 25.827 0.979 -4.596 1.00 0.00 C ATOM 757 CG GLU A 47 27.214 0.684 -5.206 1.00 0.00 C ATOM 758 CD GLU A 47 27.230 -0.487 -6.201 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.272 -1.657 -5.761 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.218 -0.246 -7.429 1.00 0.00 O ATOM 0 H GLU A 47 23.758 1.769 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 47 26.471 1.880 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.458 0.077 -4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.131 1.213 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.574 1.580 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.915 0.470 -4.399 1.00 0.00 H new ATOM 767 N ALA A 48 25.488 4.070 -5.034 1.00 0.00 N ATOM 768 CA ALA A 48 25.839 5.301 -5.767 1.00 0.00 C ATOM 769 C ALA A 48 26.083 6.490 -4.803 1.00 0.00 C ATOM 770 O ALA A 48 26.895 7.378 -5.088 1.00 0.00 O ATOM 771 CB ALA A 48 24.743 5.648 -6.784 1.00 0.00 C ATOM 0 H ALA A 48 24.532 3.755 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 48 26.770 5.115 -6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.016 6.559 -7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.635 4.830 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.798 5.802 -6.262 1.00 0.00 H new ATOM 777 N PHE A 49 25.352 6.490 -3.669 1.00 0.00 N ATOM 778 CA PHE A 49 25.547 7.455 -2.561 1.00 0.00 C ATOM 779 C PHE A 49 26.950 7.286 -1.937 1.00 0.00 C ATOM 780 O PHE A 49 27.615 8.272 -1.584 1.00 0.00 O ATOM 781 CB PHE A 49 24.432 7.262 -1.491 1.00 0.00 C ATOM 782 CG PHE A 49 24.667 8.012 -0.181 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.521 9.395 -0.110 1.00 0.00 C ATOM 784 CD2 PHE A 49 25.053 7.330 0.979 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.762 10.074 1.072 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.287 8.011 2.156 1.00 0.00 C ATOM 787 CZ PHE A 49 25.140 9.380 2.203 1.00 0.00 C ATOM 0 H PHE A 49 24.605 5.818 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 49 25.477 8.469 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.481 7.587 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.337 6.198 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.216 9.945 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 49 25.169 6.257 0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.654 11.148 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.586 7.470 3.042 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.321 9.911 3.126 1.00 0.00 H new ATOM 797 N LEU A 50 27.375 6.024 -1.795 1.00 0.00 N ATOM 798 CA LEU A 50 28.699 5.674 -1.259 1.00 0.00 C ATOM 799 C LEU A 50 29.797 5.985 -2.296 1.00 0.00 C ATOM 800 O LEU A 50 30.884 6.412 -1.935 1.00 0.00 O ATOM 801 CB LEU A 50 28.726 4.175 -0.857 1.00 0.00 C ATOM 802 CG LEU A 50 27.713 3.772 0.259 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.699 2.246 0.497 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.995 4.555 1.558 1.00 0.00 C ATOM 0 H LEU A 50 26.810 5.214 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 50 28.894 6.275 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.525 3.573 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.732 3.923 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 50 26.713 4.042 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.981 2.007 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.414 1.737 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.692 1.916 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.278 4.260 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.005 4.336 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.901 5.624 1.366 1.00 0.00 H new ATOM 816 N ASN A 51 29.469 5.796 -3.589 1.00 0.00 N ATOM 817 CA ASN A 51 30.394 6.052 -4.723 1.00 0.00 C ATOM 818 C ASN A 51 30.515 7.558 -5.009 1.00 0.00 C ATOM 819 O ASN A 51 31.413 7.989 -5.739 1.00 0.00 O ATOM 820 CB ASN A 51 29.927 5.288 -5.994 1.00 0.00 C ATOM 821 CG ASN A 51 29.991 3.764 -5.857 1.00 0.00 C ATOM 822 OD1 ASN A 51 29.126 3.067 -6.577 1.00 0.00 O flip ATOM 823 ND2 ASN A 51 30.813 3.221 -5.118 1.00 0.00 N flip ATOM 0 H ASN A 51 28.552 5.460 -3.883 1.00 0.00 H new ATOM 0 HA ASN A 51 31.381 5.683 -4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.903 5.580 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.545 5.594 -6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 51 31.465 3.788 -4.577 1.00 0.00 H new ATOM 0 HD22 ASN A 51 30.841 2.204 -5.047 1.00 0.00 H new ATOM 830 N SER A 52 29.579 8.348 -4.448 1.00 0.00 N ATOM 831 CA SER A 52 29.667 9.817 -4.438 1.00 0.00 C ATOM 832 C SER A 52 30.793 10.254 -3.482 1.00 0.00 C ATOM 833 O SER A 52 31.526 11.214 -3.749 1.00 0.00 O ATOM 834 CB SER A 52 28.314 10.430 -4.008 1.00 0.00 C ATOM 835 OG SER A 52 28.333 11.848 -4.066 1.00 0.00 O ATOM 0 H SER A 52 28.743 7.984 -3.990 1.00 0.00 H new ATOM 0 HA SER A 52 29.896 10.175 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.522 10.051 -4.654 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.077 10.111 -2.993 1.00 0.00 H new ATOM 0 HG SER A 52 27.461 12.198 -3.789 1.00 0.00 H new ATOM 954 N GLN B 5 14.151 0.878 -7.918 1.00 0.00 N ATOM 955 CA GLN B 5 14.500 2.228 -7.440 1.00 0.00 C ATOM 956 C GLN B 5 13.399 2.703 -6.453 1.00 0.00 C ATOM 957 O GLN B 5 13.259 3.894 -6.143 1.00 0.00 O ATOM 958 CB GLN B 5 14.651 3.177 -8.658 1.00 0.00 C ATOM 959 CG GLN B 5 15.251 4.558 -8.333 1.00 0.00 C ATOM 960 CD GLN B 5 15.301 5.523 -9.515 1.00 0.00 C ATOM 961 OE1 GLN B 5 15.452 5.114 -10.662 1.00 0.00 O ATOM 962 NE2 GLN B 5 15.178 6.812 -9.238 1.00 0.00 N ATOM 0 HA GLN B 5 15.452 2.226 -6.908 1.00 0.00 H new ATOM 0 HB2 GLN B 5 15.280 2.690 -9.404 1.00 0.00 H new ATOM 0 HB3 GLN B 5 13.671 3.321 -9.112 1.00 0.00 H new ATOM 0 HG2 GLN B 5 14.668 5.014 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.262 4.419 -7.951 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.054 7.117 -8.272 1.00 0.00 H new ATOM 0 HE22 GLN B 5 15.207 7.500 -9.990 1.00 0.00 H new ATOM 971 N THR B 6 12.638 1.727 -5.939 1.00 0.00 N ATOM 972 CA THR B 6 11.495 1.953 -5.048 1.00 0.00 C ATOM 973 C THR B 6 11.895 1.806 -3.564 1.00 0.00 C ATOM 974 O THR B 6 13.063 1.521 -3.235 1.00 0.00 O ATOM 975 CB THR B 6 10.329 0.965 -5.411 1.00 0.00 C ATOM 976 OG1 THR B 6 10.822 -0.381 -5.519 1.00 0.00 O ATOM 977 CG2 THR B 6 9.633 1.352 -6.723 1.00 0.00 C ATOM 0 H THR B 6 12.804 0.740 -6.136 1.00 0.00 H new ATOM 0 HA THR B 6 11.150 2.977 -5.191 1.00 0.00 H new ATOM 0 HB THR B 6 9.599 1.029 -4.604 1.00 0.00 H new ATOM 0 HG1 THR B 6 11.673 -0.457 -5.040 1.00 0.00 H new ATOM 0 HG21 THR B 6 8.834 0.641 -6.934 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.213 2.354 -6.630 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.357 1.336 -7.537 1.00 0.00 H new ATOM 985 N ALA B 7 10.899 2.012 -2.695 1.00 0.00 N ATOM 986 CA ALA B 7 11.004 1.881 -1.236 1.00 0.00 C ATOM 987 C ALA B 7 9.615 2.130 -0.616 1.00 0.00 C ATOM 988 O ALA B 7 8.629 2.405 -1.327 1.00 0.00 O ATOM 989 CB ALA B 7 12.063 2.843 -0.644 1.00 0.00 C ATOM 0 H ALA B 7 9.964 2.284 -2.998 1.00 0.00 H new ATOM 0 HA ALA B 7 11.338 0.872 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.108 2.713 0.437 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.038 2.621 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.789 3.872 -0.875 1.00 0.00 H new ATOM 995 N ARG B 8 9.552 2.044 0.709 1.00 0.00 N ATOM 996 CA ARG B 8 8.317 2.239 1.484 1.00 0.00 C ATOM 997 C ARG B 8 8.584 3.270 2.592 1.00 0.00 C ATOM 998 O ARG B 8 9.736 3.470 2.981 1.00 0.00 O ATOM 999 CB ARG B 8 7.874 0.883 2.089 1.00 0.00 C ATOM 1000 CG ARG B 8 6.526 0.909 2.842 1.00 0.00 C ATOM 1001 CD ARG B 8 6.293 -0.362 3.675 1.00 0.00 C ATOM 1002 NE ARG B 8 7.376 -0.556 4.668 1.00 0.00 N ATOM 1003 CZ ARG B 8 7.372 -0.107 5.930 1.00 0.00 C ATOM 1004 NH1 ARG B 8 6.328 0.566 6.410 1.00 0.00 N ATOM 1005 NH2 ARG B 8 8.428 -0.332 6.708 1.00 0.00 N ATOM 0 H ARG B 8 10.365 1.834 1.289 1.00 0.00 H new ATOM 0 HA ARG B 8 7.518 2.609 0.842 1.00 0.00 H new ATOM 0 HB2 ARG B 8 7.809 0.149 1.286 1.00 0.00 H new ATOM 0 HB3 ARG B 8 8.648 0.539 2.774 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.496 1.780 3.497 1.00 0.00 H new ATOM 0 HG3 ARG B 8 5.714 1.023 2.124 1.00 0.00 H new ATOM 0 HD2 ARG B 8 5.334 -0.294 4.188 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.241 -1.228 3.015 1.00 0.00 H new ATOM 0 HE ARG B 8 8.198 -1.078 4.363 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.519 0.745 5.815 1.00 0.00 H new ATOM 0 HH12 ARG B 8 6.337 0.903 7.373 1.00 0.00 H new ATOM 0 HH21 ARG B 8 9.232 -0.843 6.342 1.00 0.00 H new ATOM 0 HH22 ARG B 8 8.434 0.006 7.670 1.00 0.00 H new