USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 346 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 Single : A 1 LEU N :NH3+ 168:sc= -2.29! (180deg=-2.87) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00999 USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.105) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.332 (180deg=-1.04) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.186 (180deg=-0.918) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0152 F(o=-1.5!,f=-0.015) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.42! C(o=-2.4!,f=-3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.788 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -24.676 2.640 5.700 1.00 0.00 N ATOM 2 CA LEU A 1 -23.584 1.636 5.572 1.00 0.00 C ATOM 3 C LEU A 1 -22.240 2.351 5.515 1.00 0.00 C ATOM 4 O LEU A 1 -21.311 1.893 4.853 1.00 0.00 O ATOM 5 CB LEU A 1 -23.792 0.810 4.298 1.00 0.00 C ATOM 6 CG LEU A 1 -24.198 1.734 3.138 1.00 0.00 C ATOM 7 CD1 LEU A 1 -23.621 1.197 1.824 1.00 0.00 C ATOM 8 CD2 LEU A 1 -25.727 1.790 3.031 1.00 0.00 C ATOM 0 H1 LEU A 1 -25.593 2.178 5.536 1.00 0.00 H new ATOM 0 H2 LEU A 1 -24.661 3.049 6.656 1.00 0.00 H new ATOM 0 H3 LEU A 1 -24.538 3.395 4.998 1.00 0.00 H new ATOM 0 HA LEU A 1 -23.598 0.970 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -22.876 0.276 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -24.564 0.058 4.463 1.00 0.00 H new ATOM 0 HG LEU A 1 -23.808 2.734 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -23.911 1.854 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -22.534 1.160 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -24.008 0.195 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -26.010 2.446 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -26.116 0.788 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -26.143 2.176 3.962 1.00 0.00 H new ATOM 22 N LEU A 2 -22.142 3.476 6.216 1.00 0.00 N ATOM 23 CA LEU A 2 -20.899 4.239 6.234 1.00 0.00 C ATOM 24 C LEU A 2 -19.858 3.511 7.069 1.00 0.00 C ATOM 25 O LEU A 2 -18.703 3.378 6.669 1.00 0.00 O ATOM 26 CB LEU A 2 -21.150 5.644 6.801 1.00 0.00 C ATOM 27 CG LEU A 2 -20.167 6.653 6.187 1.00 0.00 C ATOM 28 CD1 LEU A 2 -18.726 6.209 6.465 1.00 0.00 C ATOM 29 CD2 LEU A 2 -20.393 6.753 4.668 1.00 0.00 C ATOM 0 H LEU A 2 -22.898 3.876 6.772 1.00 0.00 H new ATOM 0 HA LEU A 2 -20.527 4.337 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -22.175 5.950 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -21.038 5.631 7.885 1.00 0.00 H new ATOM 0 HG LEU A 2 -20.337 7.631 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -18.033 6.928 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -18.563 6.156 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -18.556 5.227 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -19.692 7.471 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -20.235 5.776 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -21.413 7.083 4.473 1.00 0.00 H new ATOM 41 N GLY A 3 -20.281 3.022 8.221 1.00 0.00 N ATOM 42 CA GLY A 3 -19.379 2.284 9.092 1.00 0.00 C ATOM 43 C GLY A 3 -18.770 1.121 8.323 1.00 0.00 C ATOM 44 O GLY A 3 -17.607 0.770 8.514 1.00 0.00 O ATOM 0 H GLY A 3 -21.233 3.120 8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.592 2.942 9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.919 1.914 9.964 1.00 0.00 H new ATOM 48 N ASP A 4 -19.572 0.541 7.435 1.00 0.00 N ATOM 49 CA ASP A 4 -19.120 -0.573 6.612 1.00 0.00 C ATOM 50 C ASP A 4 -18.156 -0.072 5.544 1.00 0.00 C ATOM 51 O ASP A 4 -17.232 -0.780 5.138 1.00 0.00 O ATOM 52 CB ASP A 4 -20.322 -1.242 5.945 1.00 0.00 C ATOM 53 CG ASP A 4 -19.908 -2.579 5.341 1.00 0.00 C ATOM 54 OD1 ASP A 4 -19.642 -3.493 6.103 1.00 0.00 O ATOM 55 OD2 ASP A 4 -19.863 -2.670 4.125 1.00 0.00 O ATOM 0 H ASP A 4 -20.537 0.825 7.268 1.00 0.00 H new ATOM 0 HA ASP A 4 -18.608 -1.298 7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -21.116 -1.395 6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.725 -0.592 5.168 1.00 0.00 H new ATOM 60 N PHE A 5 -18.379 1.160 5.102 1.00 0.00 N ATOM 61 CA PHE A 5 -17.531 1.772 4.085 1.00 0.00 C ATOM 62 C PHE A 5 -16.146 2.012 4.649 1.00 0.00 C ATOM 63 O PHE A 5 -15.134 1.629 4.061 1.00 0.00 O ATOM 64 CB PHE A 5 -18.133 3.110 3.668 1.00 0.00 C ATOM 65 CG PHE A 5 -17.324 3.723 2.548 1.00 0.00 C ATOM 66 CD1 PHE A 5 -17.162 3.037 1.339 1.00 0.00 C ATOM 67 CD2 PHE A 5 -16.737 4.984 2.722 1.00 0.00 C ATOM 68 CE1 PHE A 5 -16.412 3.611 0.305 1.00 0.00 C ATOM 69 CE2 PHE A 5 -15.988 5.556 1.689 1.00 0.00 C ATOM 70 CZ PHE A 5 -15.825 4.871 0.480 1.00 0.00 C ATOM 0 H PHE A 5 -19.139 1.755 5.431 1.00 0.00 H new ATOM 0 HA PHE A 5 -17.464 1.106 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -19.164 2.968 3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -18.157 3.788 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -17.615 2.066 1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -16.863 5.514 3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -16.286 3.082 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -15.535 6.527 1.824 1.00 0.00 H new ATOM 0 HZ PHE A 5 -15.247 5.313 -0.318 1.00 0.00 H new ATOM 80 N PHE A 6 -16.126 2.648 5.805 1.00 0.00 N ATOM 81 CA PHE A 6 -14.876 2.950 6.488 1.00 0.00 C ATOM 82 C PHE A 6 -14.087 1.666 6.737 1.00 0.00 C ATOM 83 O PHE A 6 -12.908 1.574 6.395 1.00 0.00 O ATOM 84 CB PHE A 6 -15.176 3.650 7.819 1.00 0.00 C ATOM 85 CG PHE A 6 -15.057 5.148 7.647 1.00 0.00 C ATOM 86 CD1 PHE A 6 -15.593 5.765 6.511 1.00 0.00 C ATOM 87 CD2 PHE A 6 -14.411 5.915 8.621 1.00 0.00 C ATOM 88 CE1 PHE A 6 -15.481 7.152 6.350 1.00 0.00 C ATOM 89 CE2 PHE A 6 -14.299 7.302 8.461 1.00 0.00 C ATOM 90 CZ PHE A 6 -14.834 7.920 7.326 1.00 0.00 C ATOM 0 H PHE A 6 -16.962 2.968 6.294 1.00 0.00 H new ATOM 0 HA PHE A 6 -14.276 3.610 5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -16.179 3.392 8.158 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -14.482 3.306 8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -16.093 5.172 5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -13.998 5.438 9.497 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -15.894 7.629 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -13.800 7.894 9.214 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.748 8.989 7.202 1.00 0.00 H new ATOM 100 N ARG A 7 -14.746 0.679 7.333 1.00 0.00 N ATOM 101 CA ARG A 7 -14.100 -0.596 7.622 1.00 0.00 C ATOM 102 C ARG A 7 -13.540 -1.212 6.343 1.00 0.00 C ATOM 103 O ARG A 7 -12.490 -1.854 6.360 1.00 0.00 O ATOM 104 CB ARG A 7 -15.107 -1.561 8.253 1.00 0.00 C ATOM 105 CG ARG A 7 -15.673 -0.954 9.547 1.00 0.00 C ATOM 106 CD ARG A 7 -14.881 -1.465 10.753 1.00 0.00 C ATOM 107 NE ARG A 7 -15.453 -0.946 11.989 1.00 0.00 N ATOM 108 CZ ARG A 7 -15.157 -1.491 13.165 1.00 0.00 C ATOM 109 NH1 ARG A 7 -14.339 -2.506 13.225 1.00 0.00 N ATOM 110 NH2 ARG A 7 -15.683 -1.009 14.258 1.00 0.00 N ATOM 0 H ARG A 7 -15.722 0.736 7.624 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.281 -0.418 8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.917 -1.765 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.624 -2.514 8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.621 0.134 9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.725 -1.219 9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -14.892 -2.555 10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -13.839 -1.158 10.669 1.00 0.00 H new ATOM 0 HE ARG A 7 -16.091 -0.151 11.951 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -13.927 -2.880 12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -14.111 -2.925 14.127 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -16.321 -0.215 14.210 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -15.456 -1.427 15.160 1.00 0.00 H new ATOM 124 N LYS A 8 -14.250 -1.012 5.237 1.00 0.00 N ATOM 125 CA LYS A 8 -13.818 -1.554 3.954 1.00 0.00 C ATOM 126 C LYS A 8 -12.537 -0.870 3.486 1.00 0.00 C ATOM 127 O LYS A 8 -11.579 -1.532 3.087 1.00 0.00 O ATOM 128 CB LYS A 8 -14.920 -1.358 2.909 1.00 0.00 C ATOM 129 CG LYS A 8 -14.707 -2.327 1.742 1.00 0.00 C ATOM 130 CD LYS A 8 -15.903 -2.249 0.791 1.00 0.00 C ATOM 131 CE LYS A 8 -15.838 -3.401 -0.213 1.00 0.00 C ATOM 132 NZ LYS A 8 -17.130 -3.491 -0.949 1.00 0.00 N ATOM 0 H LYS A 8 -15.121 -0.482 5.203 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.620 -2.619 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.897 -1.528 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.911 -0.330 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.789 -2.077 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.592 -3.344 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.834 -2.298 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.900 -1.294 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.018 -3.241 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.636 -4.338 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.087 -4.274 -1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.903 -3.662 -0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.304 -2.599 -1.455 1.00 0.00 H new ATOM 146 N SER A 9 -12.527 0.458 3.540 1.00 0.00 N ATOM 147 CA SER A 9 -11.356 1.219 3.121 1.00 0.00 C ATOM 148 C SER A 9 -10.133 0.797 3.928 1.00 0.00 C ATOM 149 O SER A 9 -9.020 0.728 3.404 1.00 0.00 O ATOM 150 CB SER A 9 -11.608 2.714 3.313 1.00 0.00 C ATOM 151 OG SER A 9 -12.906 3.036 2.834 1.00 0.00 O ATOM 0 H SER A 9 -13.309 1.025 3.867 1.00 0.00 H new ATOM 0 HA SER A 9 -11.170 1.018 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.521 2.977 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.856 3.293 2.777 1.00 0.00 H new ATOM 0 HG SER A 9 -13.072 3.994 2.957 1.00 0.00 H new ATOM 157 N LYS A 10 -10.346 0.512 5.207 1.00 0.00 N ATOM 158 CA LYS A 10 -9.253 0.096 6.074 1.00 0.00 C ATOM 159 C LYS A 10 -8.471 -1.043 5.422 1.00 0.00 C ATOM 160 O LYS A 10 -7.243 -1.053 5.438 1.00 0.00 O ATOM 161 CB LYS A 10 -9.809 -0.355 7.436 1.00 0.00 C ATOM 162 CG LYS A 10 -9.203 0.492 8.564 1.00 0.00 C ATOM 163 CD LYS A 10 -9.852 1.880 8.569 1.00 0.00 C ATOM 164 CE LYS A 10 -8.969 2.857 9.349 1.00 0.00 C ATOM 165 NZ LYS A 10 -8.888 2.424 10.774 1.00 0.00 N ATOM 0 H LYS A 10 -11.257 0.561 5.663 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.580 0.940 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.895 -0.260 7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.580 -1.408 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.360 0.002 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.126 0.583 8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.987 2.233 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.842 1.828 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.971 2.892 8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.380 3.865 9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.449 3.177 11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.845 2.233 11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.313 1.560 10.842 1.00 0.00 H new ATOM 179 N GLU A 11 -9.191 -2.002 4.852 1.00 0.00 N ATOM 180 CA GLU A 11 -8.547 -3.135 4.201 1.00 0.00 C ATOM 181 C GLU A 11 -7.890 -2.713 2.893 1.00 0.00 C ATOM 182 O GLU A 11 -6.837 -3.233 2.514 1.00 0.00 O ATOM 183 CB GLU A 11 -9.571 -4.240 3.927 1.00 0.00 C ATOM 184 CG GLU A 11 -10.205 -4.696 5.245 1.00 0.00 C ATOM 185 CD GLU A 11 -9.276 -5.670 5.965 1.00 0.00 C ATOM 186 OE1 GLU A 11 -8.095 -5.668 5.662 1.00 0.00 O ATOM 187 OE2 GLU A 11 -9.761 -6.404 6.810 1.00 0.00 O ATOM 0 H GLU A 11 -10.211 -2.018 4.827 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.775 -3.513 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.342 -3.874 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.087 -5.083 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.402 -3.833 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.165 -5.174 5.050 1.00 0.00 H new ATOM 194 N LYS A 12 -8.520 -1.774 2.204 1.00 0.00 N ATOM 195 CA LYS A 12 -7.994 -1.296 0.932 1.00 0.00 C ATOM 196 C LYS A 12 -6.570 -0.777 1.098 1.00 0.00 C ATOM 197 O LYS A 12 -5.766 -0.848 0.168 1.00 0.00 O ATOM 198 CB LYS A 12 -8.885 -0.181 0.373 1.00 0.00 C ATOM 199 CG LYS A 12 -10.215 -0.772 -0.112 1.00 0.00 C ATOM 200 CD LYS A 12 -10.067 -1.288 -1.548 1.00 0.00 C ATOM 201 CE LYS A 12 -11.447 -1.636 -2.110 1.00 0.00 C ATOM 202 NZ LYS A 12 -12.300 -2.193 -1.021 1.00 0.00 N ATOM 0 H LYS A 12 -9.389 -1.330 2.500 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.985 -2.133 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.069 0.570 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.379 0.323 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.522 -1.585 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.997 -0.014 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.589 -0.531 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.423 -2.167 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.914 -0.747 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.350 -2.361 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.114 -2.689 -1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.743 -2.860 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.639 -1.419 -0.415 1.00 0.00 H new ATOM 216 N ILE A 13 -6.254 -0.257 2.282 1.00 0.00 N ATOM 217 CA ILE A 13 -4.921 0.258 2.525 1.00 0.00 C ATOM 218 C ILE A 13 -3.949 -0.896 2.739 1.00 0.00 C ATOM 219 O ILE A 13 -2.900 -0.968 2.103 1.00 0.00 O ATOM 220 CB ILE A 13 -4.932 1.207 3.736 1.00 0.00 C ATOM 221 CG1 ILE A 13 -4.468 0.486 5.010 1.00 0.00 C ATOM 222 CG2 ILE A 13 -6.347 1.747 3.954 1.00 0.00 C ATOM 223 CD1 ILE A 13 -4.365 1.493 6.155 1.00 0.00 C ATOM 0 H ILE A 13 -6.895 -0.184 3.072 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.590 0.826 1.655 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.244 2.027 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.171 -0.306 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.502 0.011 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.352 2.419 4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.670 2.290 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.029 0.917 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.036 0.982 7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.645 2.269 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.341 1.947 6.329 1.00 0.00 H new ATOM 235 N GLY A 14 -4.310 -1.800 3.639 1.00 0.00 N ATOM 236 CA GLY A 14 -3.463 -2.948 3.932 1.00 0.00 C ATOM 237 C GLY A 14 -2.943 -3.579 2.647 1.00 0.00 C ATOM 238 O GLY A 14 -1.822 -4.086 2.604 1.00 0.00 O ATOM 0 H GLY A 14 -5.177 -1.762 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.624 -2.637 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.027 -3.686 4.502 1.00 0.00 H new ATOM 242 N LYS A 15 -3.760 -3.547 1.599 1.00 0.00 N ATOM 243 CA LYS A 15 -3.359 -4.126 0.322 1.00 0.00 C ATOM 244 C LYS A 15 -2.377 -3.209 -0.407 1.00 0.00 C ATOM 245 O LYS A 15 -1.312 -3.648 -0.848 1.00 0.00 O ATOM 246 CB LYS A 15 -4.594 -4.361 -0.557 1.00 0.00 C ATOM 247 CG LYS A 15 -4.217 -5.211 -1.785 1.00 0.00 C ATOM 248 CD LYS A 15 -4.022 -4.306 -3.007 1.00 0.00 C ATOM 249 CE LYS A 15 -3.184 -5.039 -4.059 1.00 0.00 C ATOM 250 NZ LYS A 15 -3.496 -6.496 -4.018 1.00 0.00 N ATOM 0 H LYS A 15 -4.692 -3.132 1.607 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.865 -5.078 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.369 -4.865 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.007 -3.405 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.302 -5.769 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.999 -5.943 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.990 -4.030 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.526 -3.381 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.395 -4.639 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.123 -4.878 -3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.178 -6.944 -4.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.006 -6.933 -3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.522 -6.628 -3.912 1.00 0.00 H new ATOM 264 N GLU A 16 -2.731 -1.931 -0.529 1.00 0.00 N ATOM 265 CA GLU A 16 -1.859 -0.982 -1.204 1.00 0.00 C ATOM 266 C GLU A 16 -0.638 -0.689 -0.340 1.00 0.00 C ATOM 267 O GLU A 16 0.446 -0.416 -0.855 1.00 0.00 O ATOM 268 CB GLU A 16 -2.623 0.312 -1.511 1.00 0.00 C ATOM 269 CG GLU A 16 -2.563 1.253 -0.307 1.00 0.00 C ATOM 270 CD GLU A 16 -3.649 2.318 -0.417 1.00 0.00 C ATOM 271 OE1 GLU A 16 -4.319 2.349 -1.437 1.00 0.00 O ATOM 272 OE2 GLU A 16 -3.795 3.087 0.518 1.00 0.00 O ATOM 0 H GLU A 16 -3.602 -1.537 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.523 -1.417 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.192 0.799 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.661 0.083 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.692 0.685 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.583 1.727 -0.255 1.00 0.00 H new ATOM 279 N PHE A 17 -0.818 -0.756 0.975 1.00 0.00 N ATOM 280 CA PHE A 17 0.285 -0.505 1.890 1.00 0.00 C ATOM 281 C PHE A 17 1.307 -1.632 1.785 1.00 0.00 C ATOM 282 O PHE A 17 2.510 -1.412 1.906 1.00 0.00 O ATOM 283 CB PHE A 17 -0.229 -0.390 3.332 1.00 0.00 C ATOM 284 CG PHE A 17 0.624 0.594 4.100 1.00 0.00 C ATOM 285 CD1 PHE A 17 0.431 1.970 3.925 1.00 0.00 C ATOM 286 CD2 PHE A 17 1.599 0.132 4.991 1.00 0.00 C ATOM 287 CE1 PHE A 17 1.213 2.883 4.641 1.00 0.00 C ATOM 288 CE2 PHE A 17 2.382 1.046 5.707 1.00 0.00 C ATOM 289 CZ PHE A 17 2.188 2.421 5.532 1.00 0.00 C ATOM 0 H PHE A 17 -1.706 -0.979 1.425 1.00 0.00 H new ATOM 0 HA PHE A 17 0.761 0.437 1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.269 -0.063 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.202 -1.366 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.322 2.326 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.748 -0.929 5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.064 3.944 4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.135 0.690 6.394 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.791 3.126 6.085 1.00 0.00 H new ATOM 299 N LYS A 18 0.823 -2.842 1.537 1.00 0.00 N ATOM 300 CA LYS A 18 1.718 -3.981 1.394 1.00 0.00 C ATOM 301 C LYS A 18 2.582 -3.782 0.155 1.00 0.00 C ATOM 302 O LYS A 18 3.720 -4.246 0.091 1.00 0.00 O ATOM 303 CB LYS A 18 0.915 -5.275 1.265 1.00 0.00 C ATOM 304 CG LYS A 18 1.842 -6.473 1.496 1.00 0.00 C ATOM 305 CD LYS A 18 1.012 -7.752 1.643 1.00 0.00 C ATOM 306 CE LYS A 18 0.599 -8.263 0.260 1.00 0.00 C ATOM 307 NZ LYS A 18 -0.078 -9.583 0.401 1.00 0.00 N ATOM 0 H LYS A 18 -0.168 -3.058 1.432 1.00 0.00 H new ATOM 0 HA LYS A 18 2.352 -4.054 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.101 -5.285 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.461 -5.337 0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.536 -6.573 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.442 -6.313 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.591 -8.514 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.127 -7.555 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.070 -7.548 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.475 -8.358 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.359 -9.931 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.575 -10.263 0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.923 -9.478 0.998 1.00 0.00 H new ATOM 321 N ARG A 19 2.021 -3.081 -0.827 1.00 0.00 N ATOM 322 CA ARG A 19 2.734 -2.809 -2.068 1.00 0.00 C ATOM 323 C ARG A 19 3.925 -1.883 -1.825 1.00 0.00 C ATOM 324 O ARG A 19 5.012 -2.113 -2.355 1.00 0.00 O ATOM 325 CB ARG A 19 1.787 -2.168 -3.084 1.00 0.00 C ATOM 326 CG ARG A 19 2.464 -2.111 -4.455 1.00 0.00 C ATOM 327 CD ARG A 19 1.420 -1.786 -5.527 1.00 0.00 C ATOM 328 NE ARG A 19 0.385 -0.917 -4.980 1.00 0.00 N ATOM 329 CZ ARG A 19 -0.445 -0.251 -5.776 1.00 0.00 C ATOM 330 NH1 ARG A 19 -0.341 -0.369 -7.072 1.00 0.00 N ATOM 331 NH2 ARG A 19 -1.363 0.521 -5.262 1.00 0.00 N ATOM 0 H ARG A 19 1.078 -2.693 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 19 3.106 -3.756 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.863 -2.743 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.516 -1.163 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.248 -1.354 -4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.943 -3.065 -4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.900 -1.300 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.972 -2.707 -5.898 1.00 0.00 H new ATOM 0 HE ARG A 19 0.296 -0.818 -3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.377 -0.972 -7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.978 0.142 -7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.443 0.613 -4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.000 1.032 -5.873 1.00 0.00 H new ATOM 345 N ILE A 20 3.722 -0.832 -1.028 1.00 0.00 N ATOM 346 CA ILE A 20 4.806 0.107 -0.749 1.00 0.00 C ATOM 347 C ILE A 20 5.987 -0.617 -0.106 1.00 0.00 C ATOM 348 O ILE A 20 7.142 -0.259 -0.332 1.00 0.00 O ATOM 349 CB ILE A 20 4.326 1.266 0.146 1.00 0.00 C ATOM 350 CG1 ILE A 20 3.961 0.769 1.557 1.00 0.00 C ATOM 351 CG2 ILE A 20 3.098 1.918 -0.495 1.00 0.00 C ATOM 352 CD1 ILE A 20 4.497 1.747 2.606 1.00 0.00 C ATOM 0 H ILE A 20 2.835 -0.613 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 20 5.134 0.533 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 20 5.137 1.989 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.879 0.677 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.381 -0.223 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.753 2.739 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.362 2.301 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.304 1.178 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.236 1.391 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.581 1.817 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.056 2.731 2.445 1.00 0.00 H new ATOM 364 N VAL A 21 5.690 -1.641 0.689 1.00 0.00 N ATOM 365 CA VAL A 21 6.740 -2.407 1.350 1.00 0.00 C ATOM 366 C VAL A 21 7.656 -3.052 0.315 1.00 0.00 C ATOM 367 O VAL A 21 8.879 -2.953 0.407 1.00 0.00 O ATOM 368 CB VAL A 21 6.120 -3.491 2.233 1.00 0.00 C ATOM 369 CG1 VAL A 21 7.231 -4.335 2.862 1.00 0.00 C ATOM 370 CG2 VAL A 21 5.292 -2.834 3.340 1.00 0.00 C ATOM 0 H VAL A 21 4.741 -1.957 0.889 1.00 0.00 H new ATOM 0 HA VAL A 21 7.327 -1.729 1.970 1.00 0.00 H new ATOM 0 HB VAL A 21 5.477 -4.129 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.789 -5.108 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.823 -4.803 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.874 -3.697 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.850 -3.606 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.935 -2.196 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.500 -2.232 2.894 1.00 0.00 H new ATOM 380 N GLN A 22 7.053 -3.712 -0.669 1.00 0.00 N ATOM 381 CA GLN A 22 7.822 -4.369 -1.718 1.00 0.00 C ATOM 382 C GLN A 22 8.481 -3.340 -2.632 1.00 0.00 C ATOM 383 O GLN A 22 9.645 -3.484 -3.008 1.00 0.00 O ATOM 384 CB GLN A 22 6.907 -5.274 -2.547 1.00 0.00 C ATOM 385 CG GLN A 22 7.726 -5.968 -3.636 1.00 0.00 C ATOM 386 CD GLN A 22 6.906 -7.087 -4.272 1.00 0.00 C ATOM 387 OE1 GLN A 22 5.696 -7.321 -3.843 1.00 0.00 O flip ATOM 388 NE2 GLN A 22 7.381 -7.765 -5.184 1.00 0.00 N flip ATOM 0 H GLN A 22 6.041 -3.805 -0.761 1.00 0.00 H new ATOM 0 HA GLN A 22 8.600 -4.968 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.433 -6.016 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.108 -4.686 -2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.022 -5.245 -4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.643 -6.375 -3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.327 -7.580 -5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.828 -8.511 -5.606 1.00 0.00 H new ATOM 397 N ARG A 23 7.728 -2.305 -2.991 1.00 0.00 N ATOM 398 CA ARG A 23 8.247 -1.260 -3.867 1.00 0.00 C ATOM 399 C ARG A 23 9.475 -0.594 -3.252 1.00 0.00 C ATOM 400 O ARG A 23 10.412 -0.227 -3.962 1.00 0.00 O ATOM 401 CB ARG A 23 7.167 -0.207 -4.120 1.00 0.00 C ATOM 402 CG ARG A 23 7.728 0.896 -5.021 1.00 0.00 C ATOM 403 CD ARG A 23 6.575 1.727 -5.596 1.00 0.00 C ATOM 404 NE ARG A 23 5.432 1.704 -4.691 1.00 0.00 N ATOM 405 CZ ARG A 23 4.448 2.590 -4.804 1.00 0.00 C ATOM 406 NH1 ARG A 23 4.497 3.504 -5.734 1.00 0.00 N ATOM 407 NH2 ARG A 23 3.433 2.547 -3.985 1.00 0.00 N ATOM 0 H ARG A 23 6.763 -2.168 -2.691 1.00 0.00 H new ATOM 0 HA ARG A 23 8.537 -1.721 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.298 -0.668 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.830 0.218 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.402 1.536 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.312 0.457 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.902 2.755 -5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.284 1.333 -6.570 1.00 0.00 H new ATOM 0 HE ARG A 23 5.387 0.996 -3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.290 3.538 -6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.742 4.184 -5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.395 1.833 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.678 3.227 -4.072 1.00 0.00 H new ATOM 421 N ILE A 24 9.466 -0.440 -1.932 1.00 0.00 N ATOM 422 CA ILE A 24 10.590 0.184 -1.242 1.00 0.00 C ATOM 423 C ILE A 24 11.883 -0.551 -1.572 1.00 0.00 C ATOM 424 O ILE A 24 12.881 0.065 -1.946 1.00 0.00 O ATOM 425 CB ILE A 24 10.348 0.166 0.272 1.00 0.00 C ATOM 426 CG1 ILE A 24 9.424 1.330 0.656 1.00 0.00 C ATOM 427 CG2 ILE A 24 11.679 0.309 1.019 1.00 0.00 C ATOM 428 CD1 ILE A 24 8.737 1.024 1.990 1.00 0.00 C ATOM 0 H ILE A 24 8.702 -0.735 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 24 10.679 1.218 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 24 9.883 -0.781 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.999 2.253 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.677 1.486 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.496 0.295 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 24 12.337 -0.518 0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.151 1.252 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.082 1.852 2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.148 0.111 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.491 0.890 2.765 1.00 0.00 H new ATOM 440 N LYS A 25 11.860 -1.870 -1.438 1.00 0.00 N ATOM 441 CA LYS A 25 13.043 -2.669 -1.731 1.00 0.00 C ATOM 442 C LYS A 25 13.612 -2.276 -3.090 1.00 0.00 C ATOM 443 O LYS A 25 14.825 -2.142 -3.251 1.00 0.00 O ATOM 444 CB LYS A 25 12.683 -4.157 -1.736 1.00 0.00 C ATOM 445 CG LYS A 25 11.822 -4.479 -0.512 1.00 0.00 C ATOM 446 CD LYS A 25 11.765 -5.995 -0.314 1.00 0.00 C ATOM 447 CE LYS A 25 10.743 -6.332 0.773 1.00 0.00 C ATOM 448 NZ LYS A 25 10.944 -7.738 1.226 1.00 0.00 N ATOM 0 H LYS A 25 11.047 -2.404 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 25 13.792 -2.485 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.144 -4.408 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.590 -4.761 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.238 -4.001 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.816 -4.081 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.491 -6.484 -1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.748 -6.372 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.853 -5.648 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.731 -6.204 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.249 -7.967 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.818 -8.384 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.905 -7.845 1.609 1.00 0.00 H new ATOM 462 N ASP A 26 12.726 -2.086 -4.062 1.00 0.00 N ATOM 463 CA ASP A 26 13.145 -1.700 -5.405 1.00 0.00 C ATOM 464 C ASP A 26 13.558 -0.230 -5.436 1.00 0.00 C ATOM 465 O ASP A 26 14.467 0.153 -6.172 1.00 0.00 O ATOM 466 CB ASP A 26 12.000 -1.931 -6.395 1.00 0.00 C ATOM 467 CG ASP A 26 12.538 -1.946 -7.822 1.00 0.00 C ATOM 468 OD1 ASP A 26 13.509 -2.644 -8.061 1.00 0.00 O ATOM 469 OD2 ASP A 26 11.971 -1.258 -8.655 1.00 0.00 O ATOM 0 H ASP A 26 11.718 -2.192 -3.946 1.00 0.00 H new ATOM 0 HA ASP A 26 14.001 -2.312 -5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.503 -2.876 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.252 -1.145 -6.288 1.00 0.00 H new ATOM 474 N PHE A 27 12.879 0.588 -4.637 1.00 0.00 N ATOM 475 CA PHE A 27 13.178 2.015 -4.584 1.00 0.00 C ATOM 476 C PHE A 27 14.663 2.247 -4.320 1.00 0.00 C ATOM 477 O PHE A 27 15.327 2.967 -5.061 1.00 0.00 O ATOM 478 CB PHE A 27 12.343 2.681 -3.485 1.00 0.00 C ATOM 479 CG PHE A 27 12.603 4.169 -3.473 1.00 0.00 C ATOM 480 CD1 PHE A 27 12.275 4.948 -4.591 1.00 0.00 C ATOM 481 CD2 PHE A 27 13.168 4.774 -2.342 1.00 0.00 C ATOM 482 CE1 PHE A 27 12.514 6.327 -4.577 1.00 0.00 C ATOM 483 CE2 PHE A 27 13.406 6.153 -2.329 1.00 0.00 C ATOM 484 CZ PHE A 27 13.079 6.930 -3.447 1.00 0.00 C ATOM 0 H PHE A 27 12.123 0.290 -4.021 1.00 0.00 H new ATOM 0 HA PHE A 27 12.926 2.457 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 27 11.283 2.489 -3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 27 12.593 2.251 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 27 11.838 4.484 -5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 27 13.420 4.175 -1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.262 6.927 -5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 27 13.842 6.618 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 27 13.263 7.994 -3.438 1.00 0.00 H new ATOM 494 N LEU A 28 15.175 1.631 -3.260 1.00 0.00 N ATOM 495 CA LEU A 28 16.585 1.779 -2.913 1.00 0.00 C ATOM 496 C LEU A 28 17.466 1.489 -4.124 1.00 0.00 C ATOM 497 O LEU A 28 18.465 2.171 -4.353 1.00 0.00 O ATOM 498 CB LEU A 28 16.947 0.823 -1.771 1.00 0.00 C ATOM 499 CG LEU A 28 16.441 1.385 -0.436 1.00 0.00 C ATOM 500 CD1 LEU A 28 14.933 1.156 -0.314 1.00 0.00 C ATOM 501 CD2 LEU A 28 17.152 0.670 0.715 1.00 0.00 C ATOM 0 H LEU A 28 14.642 1.030 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 28 16.756 2.806 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.506 -0.157 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.027 0.684 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 28 16.649 2.454 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.580 1.557 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.421 1.660 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.723 0.087 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.795 1.067 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.941 -0.398 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.227 0.832 0.635 1.00 0.00 H new ATOM 513 N ARG A 29 17.090 0.476 -4.898 1.00 0.00 N ATOM 514 CA ARG A 29 17.857 0.110 -6.083 1.00 0.00 C ATOM 515 C ARG A 29 17.574 1.080 -7.226 1.00 0.00 C ATOM 516 O ARG A 29 18.464 1.405 -8.012 1.00 0.00 O ATOM 517 CB ARG A 29 17.501 -1.312 -6.520 1.00 0.00 C ATOM 518 CG ARG A 29 17.840 -2.292 -5.395 1.00 0.00 C ATOM 519 CD ARG A 29 17.880 -3.717 -5.952 1.00 0.00 C ATOM 520 NE ARG A 29 17.825 -4.687 -4.866 1.00 0.00 N ATOM 521 CZ ARG A 29 17.535 -5.963 -5.099 1.00 0.00 C ATOM 522 NH1 ARG A 29 17.295 -6.364 -6.318 1.00 0.00 N ATOM 523 NH2 ARG A 29 17.490 -6.814 -4.111 1.00 0.00 N ATOM 0 H ARG A 29 16.266 -0.101 -4.728 1.00 0.00 H new ATOM 0 HA ARG A 29 18.917 0.158 -5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.440 -1.374 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 29 18.051 -1.575 -7.423 1.00 0.00 H new ATOM 0 HG2 ARG A 29 18.803 -2.036 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.097 -2.222 -4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.041 -3.873 -6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.791 -3.862 -6.532 1.00 0.00 H new ATOM 0 HE ARG A 29 18.012 -4.382 -3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.330 -5.698 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 29 17.072 -7.343 -6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.677 -6.500 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.267 -7.793 -4.291 1.00 0.00 H new ATOM 537 N ASN A 30 16.329 1.539 -7.313 1.00 0.00 N ATOM 538 CA ASN A 30 15.937 2.471 -8.366 1.00 0.00 C ATOM 539 C ASN A 30 16.106 3.914 -7.899 1.00 0.00 C ATOM 540 O ASN A 30 15.757 4.852 -8.616 1.00 0.00 O ATOM 541 CB ASN A 30 14.477 2.230 -8.757 1.00 0.00 C ATOM 542 CG ASN A 30 14.354 0.926 -9.536 1.00 0.00 C ATOM 543 OD1 ASN A 30 15.360 0.282 -9.834 1.00 0.00 O ATOM 544 ND2 ASN A 30 13.173 0.494 -9.884 1.00 0.00 N ATOM 0 H ASN A 30 15.578 1.283 -6.672 1.00 0.00 H new ATOM 0 HA ASN A 30 16.580 2.303 -9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.855 2.189 -7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.112 3.060 -9.362 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.082 -0.379 -10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.341 1.029 -9.636 1.00 0.00 H new ATOM 551 N LEU A 31 16.645 4.085 -6.696 1.00 0.00 N ATOM 552 CA LEU A 31 16.854 5.420 -6.149 1.00 0.00 C ATOM 553 C LEU A 31 17.923 6.156 -6.953 1.00 0.00 C ATOM 554 O LEU A 31 17.753 7.322 -7.310 1.00 0.00 O ATOM 555 CB LEU A 31 17.282 5.320 -4.673 1.00 0.00 C ATOM 556 CG LEU A 31 16.208 5.938 -3.765 1.00 0.00 C ATOM 557 CD1 LEU A 31 16.445 5.506 -2.309 1.00 0.00 C ATOM 558 CD2 LEU A 31 16.272 7.467 -3.864 1.00 0.00 C ATOM 0 H LEU A 31 16.942 3.323 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 31 15.920 5.978 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 31 17.440 4.276 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.232 5.834 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 31 15.225 5.593 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.680 5.947 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 31 16.394 4.419 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.429 5.845 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.510 7.906 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 31 17.257 7.811 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.095 7.773 -4.895 1.00 0.00 H new ATOM 570 N VAL A 32 19.021 5.465 -7.238 1.00 0.00 N ATOM 571 CA VAL A 32 20.110 6.058 -8.004 1.00 0.00 C ATOM 572 C VAL A 32 19.589 6.621 -9.322 1.00 0.00 C ATOM 573 O VAL A 32 18.674 6.059 -9.926 1.00 0.00 O ATOM 574 CB VAL A 32 21.181 5.002 -8.285 1.00 0.00 C ATOM 575 CG1 VAL A 32 21.652 4.388 -6.967 1.00 0.00 C ATOM 576 CG2 VAL A 32 20.590 3.905 -9.175 1.00 0.00 C ATOM 0 H VAL A 32 19.180 4.499 -6.952 1.00 0.00 H new ATOM 0 HA VAL A 32 20.544 6.870 -7.421 1.00 0.00 H new ATOM 0 HB VAL A 32 22.027 5.468 -8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 32 22.415 3.636 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 32 22.070 5.168 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 32 20.807 3.921 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 32 21.351 3.151 -9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.745 3.441 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.253 4.341 -10.115 1.00 0.00 H new ATOM 586 N PRO A 33 20.155 7.705 -9.786 1.00 0.00 N ATOM 587 CA PRO A 33 19.737 8.337 -11.069 1.00 0.00 C ATOM 588 C PRO A 33 20.048 7.419 -12.241 1.00 0.00 C ATOM 589 O PRO A 33 19.378 7.449 -13.273 1.00 0.00 O ATOM 590 CB PRO A 33 20.563 9.628 -11.136 1.00 0.00 C ATOM 591 CG PRO A 33 21.734 9.390 -10.243 1.00 0.00 C ATOM 592 CD PRO A 33 21.253 8.444 -9.146 1.00 0.00 C ATOM 0 HA PRO A 33 18.666 8.532 -11.118 1.00 0.00 H new ATOM 0 HB2 PRO A 33 20.883 9.838 -12.157 1.00 0.00 H new ATOM 0 HB3 PRO A 33 19.980 10.486 -10.801 1.00 0.00 H new ATOM 0 HG2 PRO A 33 22.563 8.951 -10.798 1.00 0.00 H new ATOM 0 HG3 PRO A 33 22.095 10.326 -9.818 1.00 0.00 H new ATOM 0 HD2 PRO A 33 22.048 7.775 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 33 20.910 8.990 -8.267 1.00 0.00 H new ATOM 600 N ARG A 34 21.069 6.590 -12.055 1.00 0.00 N ATOM 601 CA ARG A 34 21.468 5.637 -13.087 1.00 0.00 C ATOM 602 C ARG A 34 22.518 4.669 -12.547 1.00 0.00 C ATOM 603 O ARG A 34 23.453 5.070 -11.854 1.00 0.00 O ATOM 604 CB ARG A 34 21.989 6.378 -14.333 1.00 0.00 C ATOM 605 CG ARG A 34 23.471 6.751 -14.186 1.00 0.00 C ATOM 606 CD ARG A 34 23.634 7.811 -13.095 1.00 0.00 C ATOM 607 NE ARG A 34 24.989 8.351 -13.112 1.00 0.00 N ATOM 608 CZ ARG A 34 25.276 9.506 -12.521 1.00 0.00 C ATOM 609 NH1 ARG A 34 24.332 10.200 -11.947 1.00 0.00 N ATOM 610 NH2 ARG A 34 26.502 9.953 -12.526 1.00 0.00 N ATOM 0 H ARG A 34 21.633 6.557 -11.206 1.00 0.00 H new ATOM 0 HA ARG A 34 20.593 5.056 -13.379 1.00 0.00 H new ATOM 0 HB2 ARG A 34 21.856 5.749 -15.214 1.00 0.00 H new ATOM 0 HB3 ARG A 34 21.400 7.281 -14.494 1.00 0.00 H new ATOM 0 HG2 ARG A 34 24.055 5.865 -13.935 1.00 0.00 H new ATOM 0 HG3 ARG A 34 23.856 7.129 -15.133 1.00 0.00 H new ATOM 0 HD2 ARG A 34 22.913 8.614 -13.248 1.00 0.00 H new ATOM 0 HD3 ARG A 34 23.422 7.374 -12.119 1.00 0.00 H new ATOM 0 HE ARG A 34 25.729 7.833 -13.586 1.00 0.00 H new ATOM 0 HH11 ARG A 34 23.372 9.856 -11.951 1.00 0.00 H new ATOM 0 HH12 ARG A 34 24.554 11.086 -11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 34 27.239 9.416 -12.983 1.00 0.00 H new ATOM 0 HH22 ARG A 34 26.723 10.839 -12.073 1.00 0.00 H new ATOM 624 N THR A 35 22.351 3.389 -12.862 1.00 0.00 N ATOM 625 CA THR A 35 23.281 2.367 -12.401 1.00 0.00 C ATOM 626 C THR A 35 24.547 2.375 -13.251 1.00 0.00 C ATOM 627 O THR A 35 24.796 3.314 -14.008 1.00 0.00 O ATOM 628 CB THR A 35 22.619 0.983 -12.471 1.00 0.00 C ATOM 629 OG1 THR A 35 23.207 0.226 -13.519 1.00 0.00 O ATOM 630 CG2 THR A 35 21.118 1.135 -12.734 1.00 0.00 C ATOM 0 H THR A 35 21.583 3.036 -13.433 1.00 0.00 H new ATOM 0 HA THR A 35 23.550 2.585 -11.368 1.00 0.00 H new ATOM 0 HB THR A 35 22.767 0.469 -11.521 1.00 0.00 H new ATOM 0 HG1 THR A 35 22.785 -0.657 -13.561 1.00 0.00 H new ATOM 0 HG21 THR A 35 20.655 0.149 -12.782 1.00 0.00 H new ATOM 0 HG22 THR A 35 20.664 1.710 -11.927 1.00 0.00 H new ATOM 0 HG23 THR A 35 20.965 1.654 -13.680 1.00 0.00 H new ATOM 638 N GLU A 36 25.345 1.320 -13.120 1.00 0.00 N ATOM 639 CA GLU A 36 26.586 1.210 -13.877 1.00 0.00 C ATOM 640 C GLU A 36 26.308 0.707 -15.290 1.00 0.00 C ATOM 641 O GLU A 36 25.955 -0.456 -15.487 1.00 0.00 O ATOM 642 CB GLU A 36 27.543 0.249 -13.170 1.00 0.00 C ATOM 643 CG GLU A 36 27.980 0.857 -11.835 1.00 0.00 C ATOM 644 CD GLU A 36 28.547 -0.229 -10.927 1.00 0.00 C ATOM 645 OE1 GLU A 36 29.347 -1.016 -11.405 1.00 0.00 O ATOM 646 OE2 GLU A 36 28.173 -0.257 -9.766 1.00 0.00 O ATOM 0 H GLU A 36 25.155 0.533 -12.500 1.00 0.00 H new ATOM 0 HA GLU A 36 27.042 2.198 -13.939 1.00 0.00 H new ATOM 0 HB2 GLU A 36 27.054 -0.711 -13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 36 28.414 0.058 -13.798 1.00 0.00 H new ATOM 0 HG2 GLU A 36 28.731 1.628 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 36 27.131 1.340 -11.351 1.00 0.00 H new ATOM 653 N SER A 37 26.469 1.589 -16.271 1.00 0.00 N ATOM 654 CA SER A 37 26.233 1.220 -17.662 1.00 0.00 C ATOM 655 C SER A 37 27.395 0.394 -18.203 1.00 0.00 C ATOM 656 O SER A 37 28.480 0.504 -17.655 1.00 0.00 O ATOM 657 CB SER A 37 26.059 2.478 -18.513 1.00 0.00 C ATOM 658 OG SER A 37 27.321 3.110 -18.681 1.00 0.00 O ATOM 659 OXT SER A 37 27.183 -0.336 -19.157 1.00 0.00 O ATOM 0 H SER A 37 26.760 2.557 -16.131 1.00 0.00 H new ATOM 0 HA SER A 37 25.324 0.620 -17.710 1.00 0.00 H new ATOM 0 HB2 SER A 37 25.637 2.219 -19.484 1.00 0.00 H new ATOM 0 HB3 SER A 37 25.358 3.161 -18.033 1.00 0.00 H new ATOM 0 HG SER A 37 27.213 3.916 -19.228 1.00 0.00 H new TER 665 SER A 37