USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=10 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 Single : A 7 LYS NZ :NH3+ 164:sc= -0.268 (180deg=-0.695) USER MOD Single : A 15 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.42) USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= 1.3 (180deg=0.83) USER MOD Single : A 20 TYR OH : rot 180:sc= 0.0795 USER MOD Single : A 23 LYS NZ :NH3+ 151:sc= 0.214 (180deg=-0.00151) 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 32 ASN : amide:sc= -5.54! C(o=-5.5!,f=-5.8!) USER MOD Single : A 33 THR OG1 : rot 114:sc= 1.19 USER MOD Single : A 39 ASN : amide:sc= -2.9! C(o=-2.9!,f=-5.4!) USER MOD Single : A 42 CYS SG : rot 42:sc= -0.206 USER MOD Single : A 51 ASN : amide:sc= -0.046 K(o=-0.046,f=-2!) USER MOD Single : A 52 SER OG : rot 88:sc= 1.23 USER MOD Single : B 5 GLN :FLIP amide:sc= -0.261 F(o=-0.91,f=-0.26) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.724 3.603 -2.695 1.00 0.00 N ATOM 26 CA PHE A 3 7.075 4.997 -2.965 1.00 0.00 C ATOM 27 C PHE A 3 8.415 5.043 -3.723 1.00 0.00 C ATOM 28 O PHE A 3 9.419 4.499 -3.253 1.00 0.00 O ATOM 29 CB PHE A 3 7.151 5.781 -1.626 1.00 0.00 C ATOM 30 CG PHE A 3 5.939 5.596 -0.704 1.00 0.00 C ATOM 31 CD1 PHE A 3 5.892 4.549 0.224 1.00 0.00 C ATOM 32 CD2 PHE A 3 4.845 6.460 -0.765 1.00 0.00 C ATOM 33 CE1 PHE A 3 4.796 4.380 1.056 1.00 0.00 C ATOM 34 CE2 PHE A 3 3.751 6.291 0.069 1.00 0.00 C ATOM 35 CZ PHE A 3 3.726 5.249 0.977 1.00 0.00 C ATOM 0 HA PHE A 3 6.313 5.467 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 3 8.048 5.471 -1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.262 6.842 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.723 3.862 0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.851 7.274 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.779 3.567 1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.917 6.974 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.871 5.115 1.623 1.00 0.00 H new ATOM 45 N VAL A 4 8.415 5.656 -4.914 1.00 0.00 N ATOM 46 CA VAL A 4 9.631 5.793 -5.729 1.00 0.00 C ATOM 47 C VAL A 4 10.523 6.887 -5.140 1.00 0.00 C ATOM 48 O VAL A 4 10.039 7.985 -4.843 1.00 0.00 O ATOM 49 CB VAL A 4 9.316 6.140 -7.230 1.00 0.00 C ATOM 50 CG1 VAL A 4 10.604 6.116 -8.093 1.00 0.00 C ATOM 51 CG2 VAL A 4 8.252 5.190 -7.811 1.00 0.00 C ATOM 0 H VAL A 4 7.583 6.067 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 4 10.139 4.829 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 4 8.912 7.152 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.355 6.360 -9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.313 6.849 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.051 5.123 -8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.056 5.455 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.615 4.163 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.331 5.278 -7.234 1.00 0.00 H new ATOM 61 N VAL A 5 11.812 6.572 -4.956 1.00 0.00 N ATOM 62 CA VAL A 5 12.824 7.541 -4.508 1.00 0.00 C ATOM 63 C VAL A 5 13.744 7.922 -5.685 1.00 0.00 C ATOM 64 O VAL A 5 14.380 7.061 -6.297 1.00 0.00 O ATOM 65 CB VAL A 5 13.645 7.034 -3.250 1.00 0.00 C ATOM 66 CG1 VAL A 5 14.061 5.552 -3.360 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.881 7.930 -2.968 1.00 0.00 C ATOM 0 H VAL A 5 12.184 5.636 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 5 12.302 8.437 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 5 12.965 7.113 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.620 5.264 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.170 4.930 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.687 5.414 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.416 7.549 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.543 7.920 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.553 8.951 -2.773 1.00 0.00 H new ATOM 77 N GLU A 6 13.737 9.232 -6.004 1.00 0.00 N ATOM 78 CA GLU A 6 14.640 9.890 -6.972 1.00 0.00 C ATOM 79 C GLU A 6 16.108 9.493 -6.716 1.00 0.00 C ATOM 80 O GLU A 6 16.781 8.961 -7.607 1.00 0.00 O ATOM 81 CB GLU A 6 14.457 11.438 -6.843 1.00 0.00 C ATOM 82 CG GLU A 6 15.375 12.321 -7.713 1.00 0.00 C ATOM 83 CD GLU A 6 15.183 12.116 -9.222 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.177 12.618 -9.775 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.045 11.478 -9.867 1.00 0.00 O ATOM 0 H GLU A 6 13.079 9.885 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 6 14.389 9.569 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.422 11.679 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.611 11.713 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.191 13.368 -7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.414 12.112 -7.457 1.00 0.00 H new ATOM 92 N LYS A 7 16.578 9.757 -5.476 1.00 0.00 N ATOM 93 CA LYS A 7 17.950 9.439 -5.035 1.00 0.00 C ATOM 94 C LYS A 7 18.099 9.639 -3.526 1.00 0.00 C ATOM 95 O LYS A 7 17.323 10.376 -2.900 1.00 0.00 O ATOM 96 CB LYS A 7 19.008 10.291 -5.790 1.00 0.00 C ATOM 97 CG LYS A 7 18.757 11.817 -5.746 1.00 0.00 C ATOM 98 CD LYS A 7 19.785 12.620 -6.577 1.00 0.00 C ATOM 99 CE LYS A 7 19.933 12.102 -8.021 1.00 0.00 C ATOM 100 NZ LYS A 7 18.636 12.041 -8.748 1.00 0.00 N ATOM 0 H LYS A 7 16.012 10.199 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 7 18.128 8.390 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.991 10.085 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.037 9.971 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.754 12.026 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.790 12.156 -4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.484 13.667 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.755 12.579 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.619 12.750 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.380 11.108 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.814 11.953 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.092 11.218 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.094 12.910 -8.565 1.00 0.00 H new ATOM 114 N VAL A 8 19.096 8.948 -2.956 1.00 0.00 N ATOM 115 CA VAL A 8 19.540 9.159 -1.576 1.00 0.00 C ATOM 116 C VAL A 8 20.283 10.500 -1.493 1.00 0.00 C ATOM 117 O VAL A 8 21.283 10.706 -2.191 1.00 0.00 O ATOM 118 CB VAL A 8 20.490 8.005 -1.092 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.996 8.276 0.345 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.799 6.621 -1.197 1.00 0.00 C ATOM 0 H VAL A 8 19.619 8.222 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 8 18.663 9.165 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 8 21.356 7.985 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.652 7.464 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.547 9.216 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.146 8.339 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.484 5.845 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.903 6.614 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.524 6.430 -2.234 1.00 0.00 H new ATOM 130 N LEU A 9 19.772 11.407 -0.659 1.00 0.00 N ATOM 131 CA LEU A 9 20.345 12.748 -0.477 1.00 0.00 C ATOM 132 C LEU A 9 21.429 12.735 0.604 1.00 0.00 C ATOM 133 O LEU A 9 22.541 13.225 0.387 1.00 0.00 O ATOM 134 CB LEU A 9 19.236 13.771 -0.112 1.00 0.00 C ATOM 135 CG LEU A 9 18.154 14.030 -1.209 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.129 15.091 -0.749 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.795 14.424 -2.566 1.00 0.00 C ATOM 0 H LEU A 9 18.945 11.234 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 9 20.802 13.050 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.733 13.425 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.712 14.721 0.132 1.00 0.00 H new ATOM 0 HG LEU A 9 17.619 13.093 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.390 15.248 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.629 14.745 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.644 16.029 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.010 14.596 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.381 15.335 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.445 13.619 -2.909 1.00 0.00 H new ATOM 149 N ASP A 10 21.099 12.144 1.768 1.00 0.00 N ATOM 150 CA ASP A 10 21.952 12.216 2.971 1.00 0.00 C ATOM 151 C ASP A 10 21.819 10.925 3.806 1.00 0.00 C ATOM 152 O ASP A 10 20.917 10.125 3.566 1.00 0.00 O ATOM 153 CB ASP A 10 21.582 13.489 3.796 1.00 0.00 C ATOM 154 CG ASP A 10 22.574 13.809 4.931 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.799 13.691 4.708 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.140 14.176 6.041 1.00 0.00 O ATOM 0 H ASP A 10 20.242 11.608 1.901 1.00 0.00 H new ATOM 0 HA ASP A 10 22.998 12.297 2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.529 14.344 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.588 13.357 4.223 1.00 0.00 H new ATOM 161 N ARG A 11 22.756 10.714 4.747 1.00 0.00 N ATOM 162 CA ARG A 11 22.819 9.511 5.605 1.00 0.00 C ATOM 163 C ARG A 11 23.145 9.924 7.049 1.00 0.00 C ATOM 164 O ARG A 11 24.041 10.745 7.261 1.00 0.00 O ATOM 165 CB ARG A 11 23.913 8.567 5.059 1.00 0.00 C ATOM 166 CG ARG A 11 24.122 7.232 5.813 1.00 0.00 C ATOM 167 CD ARG A 11 25.316 6.440 5.237 1.00 0.00 C ATOM 168 NE ARG A 11 25.479 5.118 5.868 1.00 0.00 N ATOM 169 CZ ARG A 11 26.586 4.684 6.500 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.654 5.468 6.627 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.605 3.465 7.018 1.00 0.00 N ATOM 0 H ARG A 11 23.503 11.382 4.938 1.00 0.00 H new ATOM 0 HA ARG A 11 21.859 8.996 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.676 8.337 4.020 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.859 9.108 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.293 7.433 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.217 6.629 5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.177 6.311 4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.230 7.018 5.373 1.00 0.00 H new ATOM 0 HE ARG A 11 24.686 4.478 5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.642 6.413 6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.485 5.124 7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.785 2.863 6.936 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.439 3.128 7.498 1.00 0.00 H new ATOM 185 N ARG A 12 22.416 9.353 8.027 1.00 0.00 N ATOM 186 CA ARG A 12 22.653 9.599 9.467 1.00 0.00 C ATOM 187 C ARG A 12 22.532 8.278 10.252 1.00 0.00 C ATOM 188 O ARG A 12 22.213 7.227 9.683 1.00 0.00 O ATOM 189 CB ARG A 12 21.653 10.666 10.025 1.00 0.00 C ATOM 190 CG ARG A 12 20.226 10.147 10.350 1.00 0.00 C ATOM 191 CD ARG A 12 19.240 11.272 10.742 1.00 0.00 C ATOM 192 NE ARG A 12 19.731 12.105 11.864 1.00 0.00 N ATOM 193 CZ ARG A 12 18.963 12.886 12.645 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.649 12.909 12.509 1.00 0.00 N ATOM 195 NH2 ARG A 12 19.525 13.637 13.575 1.00 0.00 N ATOM 0 H ARG A 12 21.647 8.709 7.844 1.00 0.00 H new ATOM 0 HA ARG A 12 23.662 9.992 9.590 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.078 11.096 10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.569 11.474 9.298 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.834 9.616 9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.286 9.426 11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.060 11.908 9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.283 10.829 11.017 1.00 0.00 H new ATOM 0 HE ARG A 12 20.732 12.085 12.060 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.199 12.328 11.802 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.084 13.508 13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 12 20.537 13.623 13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.947 14.231 14.169 1.00 0.00 H new ATOM 209 N VAL A 13 22.813 8.352 11.559 1.00 0.00 N ATOM 210 CA VAL A 13 22.638 7.243 12.507 1.00 0.00 C ATOM 211 C VAL A 13 21.705 7.712 13.639 1.00 0.00 C ATOM 212 O VAL A 13 21.968 8.741 14.273 1.00 0.00 O ATOM 213 CB VAL A 13 24.021 6.760 13.094 1.00 0.00 C ATOM 214 CG1 VAL A 13 23.836 5.641 14.157 1.00 0.00 C ATOM 215 CG2 VAL A 13 24.978 6.297 11.960 1.00 0.00 C ATOM 0 H VAL A 13 23.175 9.200 11.996 1.00 0.00 H new ATOM 0 HA VAL A 13 22.198 6.393 11.986 1.00 0.00 H new ATOM 0 HB VAL A 13 24.477 7.614 13.595 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.811 5.335 14.537 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.228 6.017 14.979 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.340 4.784 13.701 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.923 5.970 12.393 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.523 5.470 11.415 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.160 7.126 11.276 1.00 0.00 H new ATOM 225 N VAL A 14 20.593 6.978 13.856 1.00 0.00 N ATOM 226 CA VAL A 14 19.609 7.271 14.922 1.00 0.00 C ATOM 227 C VAL A 14 19.261 5.968 15.660 1.00 0.00 C ATOM 228 O VAL A 14 18.826 4.994 15.033 1.00 0.00 O ATOM 229 CB VAL A 14 18.286 7.932 14.358 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.193 8.073 15.449 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.576 9.307 13.717 1.00 0.00 C ATOM 0 H VAL A 14 20.351 6.162 13.295 1.00 0.00 H new ATOM 0 HA VAL A 14 20.064 7.989 15.604 1.00 0.00 H new ATOM 0 HB VAL A 14 17.906 7.260 13.589 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.304 8.531 15.016 1.00 0.00 H new ATOM 0 HG12 VAL A 14 16.940 7.087 15.840 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.566 8.700 16.259 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.648 9.735 13.339 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.005 9.974 14.465 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.280 9.184 12.894 1.00 0.00 H new ATOM 241 N ASN A 15 19.495 5.968 16.989 1.00 0.00 N ATOM 242 CA ASN A 15 19.159 4.856 17.910 1.00 0.00 C ATOM 243 C ASN A 15 20.006 3.595 17.617 1.00 0.00 C ATOM 244 O ASN A 15 19.664 2.486 18.043 1.00 0.00 O ATOM 245 CB ASN A 15 17.625 4.543 17.893 1.00 0.00 C ATOM 246 CG ASN A 15 16.749 5.739 18.294 1.00 0.00 C ATOM 247 OD1 ASN A 15 17.160 6.604 19.077 1.00 0.00 O ATOM 248 ND2 ASN A 15 15.525 5.790 17.777 1.00 0.00 N ATOM 0 H ASN A 15 19.932 6.757 17.464 1.00 0.00 H new ATOM 0 HA ASN A 15 19.412 5.181 18.919 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.341 4.214 16.893 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.424 3.713 18.571 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.899 6.556 18.024 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.212 5.063 17.134 1.00 0.00 H new ATOM 255 N GLY A 16 21.137 3.801 16.919 1.00 0.00 N ATOM 256 CA GLY A 16 22.032 2.717 16.496 1.00 0.00 C ATOM 257 C GLY A 16 21.814 2.298 15.042 1.00 0.00 C ATOM 258 O GLY A 16 22.694 1.680 14.432 1.00 0.00 O ATOM 0 H GLY A 16 21.454 4.727 16.633 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.066 3.035 16.626 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.880 1.854 17.144 1.00 0.00 H new ATOM 262 N LYS A 17 20.633 2.634 14.481 1.00 0.00 N ATOM 263 CA LYS A 17 20.272 2.270 13.095 1.00 0.00 C ATOM 264 C LYS A 17 20.902 3.271 12.111 1.00 0.00 C ATOM 265 O LYS A 17 21.337 4.350 12.507 1.00 0.00 O ATOM 266 CB LYS A 17 18.714 2.209 12.909 1.00 0.00 C ATOM 267 CG LYS A 17 18.061 3.455 12.259 1.00 0.00 C ATOM 268 CD LYS A 17 16.530 3.337 12.134 1.00 0.00 C ATOM 269 CE LYS A 17 15.833 3.410 13.488 1.00 0.00 C ATOM 270 NZ LYS A 17 16.028 4.730 14.148 1.00 0.00 N ATOM 0 H LYS A 17 19.909 3.160 14.971 1.00 0.00 H new ATOM 0 HA LYS A 17 20.665 1.275 12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.474 1.338 12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.257 2.051 13.886 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.305 4.337 12.852 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.490 3.608 11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.157 4.135 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.279 2.394 11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.767 3.225 13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.216 2.621 14.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.335 4.840 14.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.990 4.783 14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.896 5.490 13.450 1.00 0.00 H new ATOM 284 N VAL A 18 20.901 2.912 10.821 1.00 0.00 N ATOM 285 CA VAL A 18 21.469 3.737 9.741 1.00 0.00 C ATOM 286 C VAL A 18 20.327 4.192 8.805 1.00 0.00 C ATOM 287 O VAL A 18 19.748 3.372 8.085 1.00 0.00 O ATOM 288 CB VAL A 18 22.562 2.949 8.924 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.203 3.863 7.858 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.639 2.335 9.860 1.00 0.00 C ATOM 0 H VAL A 18 20.503 2.033 10.492 1.00 0.00 H new ATOM 0 HA VAL A 18 21.958 4.605 10.184 1.00 0.00 H new ATOM 0 HB VAL A 18 22.069 2.122 8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.955 3.303 7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.434 4.216 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.673 4.717 8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.377 1.799 9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.133 3.131 10.418 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.164 1.644 10.557 1.00 0.00 H new ATOM 300 N GLU A 19 20.013 5.501 8.828 1.00 0.00 N ATOM 301 CA GLU A 19 18.916 6.094 8.033 1.00 0.00 C ATOM 302 C GLU A 19 19.479 6.864 6.833 1.00 0.00 C ATOM 303 O GLU A 19 20.630 7.300 6.849 1.00 0.00 O ATOM 304 CB GLU A 19 18.071 7.043 8.915 1.00 0.00 C ATOM 305 CG GLU A 19 17.432 6.365 10.142 1.00 0.00 C ATOM 306 CD GLU A 19 16.606 7.301 11.046 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.697 8.543 10.896 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.887 6.790 11.940 1.00 0.00 O ATOM 0 H GLU A 19 20.514 6.181 9.400 1.00 0.00 H new ATOM 0 HA GLU A 19 18.281 5.287 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.703 7.863 9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.282 7.481 8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.788 5.556 9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.222 5.911 10.740 1.00 0.00 H new ATOM 315 N TYR A 20 18.644 7.015 5.796 1.00 0.00 N ATOM 316 CA TYR A 20 18.987 7.716 4.547 1.00 0.00 C ATOM 317 C TYR A 20 17.821 8.637 4.172 1.00 0.00 C ATOM 318 O TYR A 20 16.688 8.168 4.042 1.00 0.00 O ATOM 319 CB TYR A 20 19.247 6.716 3.381 1.00 0.00 C ATOM 320 CG TYR A 20 20.444 5.774 3.590 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.363 4.687 4.458 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.659 5.985 2.940 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.436 3.862 4.663 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.731 5.152 3.136 1.00 0.00 C ATOM 325 CZ TYR A 20 22.613 4.093 4.002 1.00 0.00 C ATOM 326 OH TYR A 20 23.681 3.268 4.223 1.00 0.00 O ATOM 0 H TYR A 20 17.693 6.647 5.800 1.00 0.00 H new ATOM 0 HA TYR A 20 19.901 8.287 4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.351 6.113 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.406 7.283 2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.437 4.492 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.759 6.824 2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 20 21.354 3.029 5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.660 5.328 2.614 1.00 0.00 H new ATOM 0 HH TYR A 20 24.441 3.563 3.679 1.00 0.00 H new ATOM 336 N PHE A 21 18.099 9.942 4.002 1.00 0.00 N ATOM 337 CA PHE A 21 17.080 10.921 3.617 1.00 0.00 C ATOM 338 C PHE A 21 16.808 10.758 2.130 1.00 0.00 C ATOM 339 O PHE A 21 17.652 11.084 1.294 1.00 0.00 O ATOM 340 CB PHE A 21 17.545 12.367 3.934 1.00 0.00 C ATOM 341 CG PHE A 21 16.468 13.425 3.727 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.250 13.335 4.398 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.663 14.498 2.860 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.267 14.281 4.212 1.00 0.00 C ATOM 345 CE2 PHE A 21 15.676 15.444 2.673 1.00 0.00 C ATOM 346 CZ PHE A 21 14.479 15.336 3.347 1.00 0.00 C ATOM 0 H PHE A 21 19.030 10.340 4.128 1.00 0.00 H new ATOM 0 HA PHE A 21 16.168 10.746 4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.887 12.409 4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.402 12.608 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.074 12.511 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.598 14.590 2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.330 14.198 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.842 16.270 1.997 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.707 16.076 3.199 1.00 0.00 H new ATOM 356 N LEU A 22 15.642 10.205 1.827 1.00 0.00 N ATOM 357 CA LEU A 22 15.251 9.864 0.471 1.00 0.00 C ATOM 358 C LEU A 22 14.481 11.008 -0.159 1.00 0.00 C ATOM 359 O LEU A 22 13.458 11.433 0.391 1.00 0.00 O ATOM 360 CB LEU A 22 14.360 8.608 0.482 1.00 0.00 C ATOM 361 CG LEU A 22 14.991 7.309 1.058 1.00 0.00 C ATOM 362 CD1 LEU A 22 14.058 6.123 0.807 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.412 7.038 0.499 1.00 0.00 C ATOM 0 H LEU A 22 14.934 9.979 2.526 1.00 0.00 H new ATOM 0 HA LEU A 22 16.153 9.672 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.461 8.833 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.042 8.407 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 22 15.110 7.447 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.506 5.216 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.100 6.304 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.903 6.003 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.805 6.119 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.363 6.934 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 22 17.068 7.870 0.754 1.00 0.00 H new ATOM 375 N LYS A 23 14.958 11.501 -1.314 1.00 0.00 N ATOM 376 CA LYS A 23 14.167 12.375 -2.158 1.00 0.00 C ATOM 377 C LYS A 23 13.183 11.463 -2.890 1.00 0.00 C ATOM 378 O LYS A 23 13.574 10.795 -3.834 1.00 0.00 O ATOM 379 CB LYS A 23 15.041 13.200 -3.172 1.00 0.00 C ATOM 380 CG LYS A 23 14.399 14.534 -3.658 1.00 0.00 C ATOM 381 CD LYS A 23 13.056 14.348 -4.409 1.00 0.00 C ATOM 382 CE LYS A 23 12.359 15.674 -4.766 1.00 0.00 C ATOM 383 NZ LYS A 23 13.233 16.583 -5.552 1.00 0.00 N ATOM 0 H LYS A 23 15.891 11.301 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 23 13.658 13.127 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.000 13.424 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.249 12.576 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.236 15.182 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.103 15.047 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.237 13.784 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.385 13.749 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.454 15.463 -5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.049 16.176 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.646 17.184 -6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.783 17.182 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.882 16.020 -6.137 1.00 0.00 H new ATOM 397 N TRP A 24 11.941 11.380 -2.404 1.00 0.00 N ATOM 398 CA TRP A 24 10.875 10.645 -3.092 1.00 0.00 C ATOM 399 C TRP A 24 10.528 11.369 -4.399 1.00 0.00 C ATOM 400 O TRP A 24 10.173 12.545 -4.363 1.00 0.00 O ATOM 401 CB TRP A 24 9.620 10.537 -2.201 1.00 0.00 C ATOM 402 CG TRP A 24 9.858 9.893 -0.860 1.00 0.00 C ATOM 403 CD1 TRP A 24 9.871 10.512 0.345 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.128 8.516 -0.601 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.076 9.608 1.339 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.242 8.373 0.788 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.272 7.387 -1.399 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.485 7.158 1.396 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.513 6.170 -0.793 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.614 6.065 0.595 1.00 0.00 C ATOM 0 H TRP A 24 11.647 11.816 -1.530 1.00 0.00 H new ATOM 0 HA TRP A 24 11.224 9.636 -3.309 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.215 11.537 -2.043 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.860 9.966 -2.734 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.737 11.573 0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.101 9.820 2.336 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.197 7.460 -2.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.570 7.077 2.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.625 5.286 -1.403 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.798 5.099 1.042 1.00 0.00 H new ATOM 421 N LYS A 25 10.649 10.664 -5.533 1.00 0.00 N ATOM 422 CA LYS A 25 10.448 11.248 -6.864 1.00 0.00 C ATOM 423 C LYS A 25 8.984 11.668 -7.092 1.00 0.00 C ATOM 424 O LYS A 25 8.708 12.585 -7.865 1.00 0.00 O ATOM 425 CB LYS A 25 10.913 10.255 -7.958 1.00 0.00 C ATOM 426 CG LYS A 25 11.047 10.899 -9.359 1.00 0.00 C ATOM 427 CD LYS A 25 11.929 10.086 -10.329 1.00 0.00 C ATOM 428 CE LYS A 25 11.377 8.689 -10.617 1.00 0.00 C ATOM 429 NZ LYS A 25 12.298 7.900 -11.462 1.00 0.00 N ATOM 0 H LYS A 25 10.889 9.673 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 25 11.054 12.152 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.875 9.831 -7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.204 9.429 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.054 11.014 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.466 11.899 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.025 10.632 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.931 9.995 -9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.206 8.164 -9.677 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.411 8.775 -11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.890 6.959 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.441 8.388 -12.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.212 7.797 -10.977 1.00 0.00 H new ATOM 443 N GLY A 26 8.056 10.994 -6.398 1.00 0.00 N ATOM 444 CA GLY A 26 6.628 11.296 -6.509 1.00 0.00 C ATOM 445 C GLY A 26 6.165 12.428 -5.585 1.00 0.00 C ATOM 446 O GLY A 26 5.021 12.877 -5.683 1.00 0.00 O ATOM 0 H GLY A 26 8.273 10.234 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.402 11.565 -7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.056 10.396 -6.282 1.00 0.00 H new ATOM 450 N PHE A 27 7.059 12.891 -4.683 1.00 0.00 N ATOM 451 CA PHE A 27 6.728 13.890 -3.638 1.00 0.00 C ATOM 452 C PHE A 27 7.745 15.045 -3.645 1.00 0.00 C ATOM 453 O PHE A 27 8.834 14.928 -4.213 1.00 0.00 O ATOM 454 CB PHE A 27 6.696 13.201 -2.244 1.00 0.00 C ATOM 455 CG PHE A 27 5.662 12.070 -2.139 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.331 12.340 -1.825 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.020 10.738 -2.368 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.397 11.320 -1.736 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.084 9.723 -2.280 1.00 0.00 C ATOM 460 CZ PHE A 27 3.774 10.015 -1.966 1.00 0.00 C ATOM 0 H PHE A 27 8.031 12.583 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 27 5.744 14.307 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.685 12.799 -2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.480 13.951 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.023 13.360 -1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.043 10.498 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.372 11.549 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.380 8.700 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.044 9.222 -1.900 1.00 0.00 H new ATOM 470 N THR A 28 7.365 16.161 -3.011 1.00 0.00 N ATOM 471 CA THR A 28 8.211 17.361 -2.906 1.00 0.00 C ATOM 472 C THR A 28 9.366 17.133 -1.911 1.00 0.00 C ATOM 473 O THR A 28 9.295 16.221 -1.073 1.00 0.00 O ATOM 474 CB THR A 28 7.357 18.600 -2.464 1.00 0.00 C ATOM 475 OG1 THR A 28 6.768 18.362 -1.173 1.00 0.00 O ATOM 476 CG2 THR A 28 6.241 18.930 -3.475 1.00 0.00 C ATOM 0 H THR A 28 6.459 16.260 -2.554 1.00 0.00 H new ATOM 0 HA THR A 28 8.636 17.560 -3.890 1.00 0.00 H new ATOM 0 HB THR A 28 8.034 19.453 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.239 19.142 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.677 19.795 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.684 19.154 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.572 18.075 -3.570 1.00 0.00 H new ATOM 484 N ASP A 29 10.412 17.982 -2.004 1.00 0.00 N ATOM 485 CA ASP A 29 11.578 17.928 -1.096 1.00 0.00 C ATOM 486 C ASP A 29 11.142 18.084 0.371 1.00 0.00 C ATOM 487 O ASP A 29 11.692 17.436 1.270 1.00 0.00 O ATOM 488 CB ASP A 29 12.623 19.011 -1.454 1.00 0.00 C ATOM 489 CG ASP A 29 13.278 18.790 -2.824 1.00 0.00 C ATOM 490 OD1 ASP A 29 14.194 17.943 -2.937 1.00 0.00 O ATOM 491 OD2 ASP A 29 12.891 19.464 -3.800 1.00 0.00 O ATOM 0 H ASP A 29 10.472 18.720 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 29 12.041 16.949 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.142 19.989 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.397 19.027 -0.687 1.00 0.00 H new ATOM 496 N ALA A 30 10.122 18.933 0.581 1.00 0.00 N ATOM 497 CA ALA A 30 9.563 19.238 1.910 1.00 0.00 C ATOM 498 C ALA A 30 8.688 18.086 2.465 1.00 0.00 C ATOM 499 O ALA A 30 8.417 18.037 3.671 1.00 0.00 O ATOM 500 CB ALA A 30 8.758 20.546 1.831 1.00 0.00 C ATOM 0 H ALA A 30 9.656 19.433 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 30 10.393 19.355 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.342 20.777 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.413 21.358 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.948 20.432 1.111 1.00 0.00 H new ATOM 506 N ASP A 31 8.240 17.169 1.590 1.00 0.00 N ATOM 507 CA ASP A 31 7.402 16.019 2.004 1.00 0.00 C ATOM 508 C ASP A 31 8.247 14.733 2.159 1.00 0.00 C ATOM 509 O ASP A 31 7.752 13.716 2.660 1.00 0.00 O ATOM 510 CB ASP A 31 6.240 15.811 0.994 1.00 0.00 C ATOM 511 CG ASP A 31 5.126 14.888 1.535 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.482 15.260 2.541 1.00 0.00 O ATOM 513 OD2 ASP A 31 4.895 13.800 0.979 1.00 0.00 O ATOM 0 H ASP A 31 8.442 17.198 0.591 1.00 0.00 H new ATOM 0 HA ASP A 31 6.973 16.242 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.810 16.780 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.639 15.388 0.072 1.00 0.00 H new ATOM 518 N ASN A 32 9.531 14.797 1.745 1.00 0.00 N ATOM 519 CA ASN A 32 10.474 13.653 1.823 1.00 0.00 C ATOM 520 C ASN A 32 10.792 13.247 3.273 1.00 0.00 C ATOM 521 O ASN A 32 10.644 14.056 4.192 1.00 0.00 O ATOM 522 CB ASN A 32 11.778 13.984 1.064 1.00 0.00 C ATOM 523 CG ASN A 32 11.604 14.216 -0.443 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.399 14.916 -1.057 1.00 0.00 O ATOM 525 ND2 ASN A 32 10.576 13.638 -1.064 1.00 0.00 N ATOM 0 H ASN A 32 9.945 15.640 1.348 1.00 0.00 H new ATOM 0 HA ASN A 32 9.983 12.801 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.223 14.876 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.485 13.168 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.442 13.776 -2.066 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.923 13.058 -0.537 1.00 0.00 H new ATOM 532 N THR A 33 11.255 11.987 3.465 1.00 0.00 N ATOM 533 CA THR A 33 11.474 11.398 4.810 1.00 0.00 C ATOM 534 C THR A 33 12.756 10.534 4.871 1.00 0.00 C ATOM 535 O THR A 33 13.280 10.083 3.843 1.00 0.00 O ATOM 536 CB THR A 33 10.231 10.539 5.272 1.00 0.00 C ATOM 537 OG1 THR A 33 9.798 9.674 4.211 1.00 0.00 O ATOM 538 CG2 THR A 33 9.045 11.408 5.733 1.00 0.00 C ATOM 0 H THR A 33 11.486 11.355 2.699 1.00 0.00 H new ATOM 0 HA THR A 33 11.600 12.238 5.494 1.00 0.00 H new ATOM 0 HB THR A 33 10.563 9.949 6.127 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.945 8.740 4.470 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.220 10.765 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.354 12.027 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.721 12.047 4.912 1.00 0.00 H new ATOM 546 N TRP A 34 13.254 10.347 6.110 1.00 0.00 N ATOM 547 CA TRP A 34 14.379 9.457 6.439 1.00 0.00 C ATOM 548 C TRP A 34 13.887 8.012 6.533 1.00 0.00 C ATOM 549 O TRP A 34 12.979 7.720 7.320 1.00 0.00 O ATOM 550 CB TRP A 34 15.014 9.850 7.805 1.00 0.00 C ATOM 551 CG TRP A 34 15.780 11.143 7.794 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.305 12.395 8.053 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.171 11.292 7.512 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.320 13.306 7.955 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.476 12.653 7.620 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.185 10.396 7.173 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.757 13.146 7.394 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.455 10.879 6.957 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.733 12.243 7.063 1.00 0.00 C ATOM 0 H TRP A 34 12.874 10.824 6.928 1.00 0.00 H new ATOM 0 HA TRP A 34 15.126 9.554 5.651 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.223 9.919 8.551 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.683 9.050 8.123 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.280 12.632 8.299 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.230 14.311 8.107 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.976 9.340 7.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.974 14.201 7.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.249 10.193 6.702 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.738 12.594 6.880 1.00 0.00 H new ATOM 570 N GLU A 35 14.486 7.113 5.736 1.00 0.00 N ATOM 571 CA GLU A 35 14.196 5.673 5.799 1.00 0.00 C ATOM 572 C GLU A 35 15.490 4.883 6.057 1.00 0.00 C ATOM 573 O GLU A 35 16.501 5.136 5.393 1.00 0.00 O ATOM 574 CB GLU A 35 13.521 5.166 4.496 1.00 0.00 C ATOM 575 CG GLU A 35 12.209 5.877 4.108 1.00 0.00 C ATOM 576 CD GLU A 35 11.148 5.959 5.232 1.00 0.00 C ATOM 577 OE1 GLU A 35 11.092 5.058 6.099 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.340 6.909 5.231 1.00 0.00 O ATOM 0 H GLU A 35 15.182 7.363 5.033 1.00 0.00 H new ATOM 0 HA GLU A 35 13.500 5.513 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.229 5.275 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.318 4.100 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.446 6.889 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.772 5.359 3.255 1.00 0.00 H new ATOM 585 N PRO A 36 15.481 3.903 7.016 1.00 0.00 N ATOM 586 CA PRO A 36 16.658 3.047 7.305 1.00 0.00 C ATOM 587 C PRO A 36 16.996 2.108 6.129 1.00 0.00 C ATOM 588 O PRO A 36 16.120 1.785 5.325 1.00 0.00 O ATOM 589 CB PRO A 36 16.222 2.254 8.559 1.00 0.00 C ATOM 590 CG PRO A 36 14.727 2.224 8.484 1.00 0.00 C ATOM 591 CD PRO A 36 14.323 3.552 7.886 1.00 0.00 C ATOM 0 HA PRO A 36 17.568 3.626 7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.640 1.247 8.557 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.564 2.739 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.382 1.395 7.866 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.288 2.089 9.472 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.399 3.471 7.313 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.155 4.305 8.656 1.00 0.00 H new ATOM 599 N GLU A 37 18.267 1.658 6.072 1.00 0.00 N ATOM 600 CA GLU A 37 18.794 0.803 4.977 1.00 0.00 C ATOM 601 C GLU A 37 17.989 -0.505 4.787 1.00 0.00 C ATOM 602 O GLU A 37 17.874 -1.015 3.665 1.00 0.00 O ATOM 603 CB GLU A 37 20.326 0.532 5.169 1.00 0.00 C ATOM 604 CG GLU A 37 20.796 0.202 6.611 1.00 0.00 C ATOM 605 CD GLU A 37 20.381 -1.188 7.117 1.00 0.00 C ATOM 606 OE1 GLU A 37 20.947 -2.195 6.647 1.00 0.00 O ATOM 607 OE2 GLU A 37 19.483 -1.282 7.974 1.00 0.00 O ATOM 0 H GLU A 37 18.963 1.876 6.785 1.00 0.00 H new ATOM 0 HA GLU A 37 18.665 1.360 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.610 -0.296 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.873 1.409 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.882 0.279 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.397 0.955 7.290 1.00 0.00 H new ATOM 614 N GLU A 38 17.436 -1.017 5.892 1.00 0.00 N ATOM 615 CA GLU A 38 16.622 -2.248 5.920 1.00 0.00 C ATOM 616 C GLU A 38 15.291 -2.071 5.157 1.00 0.00 C ATOM 617 O GLU A 38 14.742 -3.035 4.615 1.00 0.00 O ATOM 618 CB GLU A 38 16.370 -2.633 7.401 1.00 0.00 C ATOM 619 CG GLU A 38 15.598 -1.562 8.200 1.00 0.00 C ATOM 620 CD GLU A 38 15.675 -1.761 9.715 1.00 0.00 C ATOM 621 OE1 GLU A 38 14.877 -2.555 10.266 1.00 0.00 O ATOM 622 OE2 GLU A 38 16.538 -1.123 10.366 1.00 0.00 O ATOM 0 H GLU A 38 17.540 -0.584 6.810 1.00 0.00 H new ATOM 0 HA GLU A 38 17.162 -3.048 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.813 -3.569 7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.328 -2.815 7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.993 -0.578 7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.552 -1.573 7.892 1.00 0.00 H new ATOM 629 N ASN A 39 14.802 -0.826 5.117 1.00 0.00 N ATOM 630 CA ASN A 39 13.511 -0.458 4.517 1.00 0.00 C ATOM 631 C ASN A 39 13.672 -0.116 3.015 1.00 0.00 C ATOM 632 O ASN A 39 12.682 -0.061 2.271 1.00 0.00 O ATOM 633 CB ASN A 39 12.947 0.759 5.303 1.00 0.00 C ATOM 634 CG ASN A 39 11.549 1.190 4.874 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.725 0.365 4.477 1.00 0.00 O ATOM 636 ND2 ASN A 39 11.274 2.475 4.949 1.00 0.00 N ATOM 0 H ASN A 39 15.302 -0.028 5.509 1.00 0.00 H new ATOM 0 HA ASN A 39 12.820 -1.299 4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.929 0.514 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.627 1.602 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.353 2.816 4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.982 3.129 5.283 1.00 0.00 H new ATOM 643 N LEU A 40 14.925 0.107 2.580 1.00 0.00 N ATOM 644 CA LEU A 40 15.232 0.572 1.218 1.00 0.00 C ATOM 645 C LEU A 40 15.167 -0.583 0.218 1.00 0.00 C ATOM 646 O LEU A 40 15.755 -1.644 0.446 1.00 0.00 O ATOM 647 CB LEU A 40 16.628 1.255 1.177 1.00 0.00 C ATOM 648 CG LEU A 40 16.851 2.375 2.240 1.00 0.00 C ATOM 649 CD1 LEU A 40 18.168 3.121 2.027 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.672 3.347 2.297 1.00 0.00 C ATOM 0 H LEU A 40 15.751 -0.030 3.163 1.00 0.00 H new ATOM 0 HA LEU A 40 14.480 1.307 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.393 0.490 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.777 1.683 0.185 1.00 0.00 H new ATOM 0 HG LEU A 40 16.916 1.874 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.278 3.890 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.999 2.419 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.167 3.586 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.867 4.111 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.543 3.820 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.764 2.803 2.559 1.00 0.00 H new ATOM 662 N ASP A 41 14.436 -0.362 -0.886 1.00 0.00 N ATOM 663 CA ASP A 41 14.334 -1.313 -2.009 1.00 0.00 C ATOM 664 C ASP A 41 15.163 -0.801 -3.202 1.00 0.00 C ATOM 665 O ASP A 41 15.028 -1.302 -4.321 1.00 0.00 O ATOM 666 CB ASP A 41 12.844 -1.502 -2.405 1.00 0.00 C ATOM 667 CG ASP A 41 11.999 -2.114 -1.273 1.00 0.00 C ATOM 668 OD1 ASP A 41 12.008 -3.358 -1.126 1.00 0.00 O ATOM 669 OD2 ASP A 41 11.338 -1.361 -0.521 1.00 0.00 O ATOM 0 H ASP A 41 13.893 0.490 -1.027 1.00 0.00 H new ATOM 0 HA ASP A 41 14.732 -2.281 -1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.422 -0.537 -2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.785 -2.144 -3.284 1.00 0.00 H new ATOM 674 N CYS A 42 16.008 0.219 -2.941 1.00 0.00 N ATOM 675 CA CYS A 42 16.881 0.842 -3.939 1.00 0.00 C ATOM 676 C CYS A 42 18.360 0.536 -3.584 1.00 0.00 C ATOM 677 O CYS A 42 18.996 1.288 -2.831 1.00 0.00 O ATOM 678 CB CYS A 42 16.605 2.363 -3.966 1.00 0.00 C ATOM 679 SG CYS A 42 16.766 3.180 -2.357 1.00 0.00 S ATOM 0 H CYS A 42 16.099 0.634 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 42 16.682 0.440 -4.932 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.293 2.833 -4.669 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.597 2.531 -4.346 1.00 0.00 H new ATOM 0 HG CYS A 42 17.813 2.719 -1.739 1.00 0.00 H new ATOM 685 N PRO A 43 18.932 -0.597 -4.112 1.00 0.00 N ATOM 686 CA PRO A 43 20.315 -1.017 -3.790 1.00 0.00 C ATOM 687 C PRO A 43 21.384 -0.268 -4.625 1.00 0.00 C ATOM 688 O PRO A 43 22.507 -0.046 -4.157 1.00 0.00 O ATOM 689 CB PRO A 43 20.277 -2.531 -4.098 1.00 0.00 C ATOM 690 CG PRO A 43 19.290 -2.675 -5.223 1.00 0.00 C ATOM 691 CD PRO A 43 18.272 -1.563 -5.042 1.00 0.00 C ATOM 0 HA PRO A 43 20.603 -0.789 -2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.261 -2.900 -4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 43 19.966 -3.104 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 43 19.787 -2.593 -6.189 1.00 0.00 H new ATOM 0 HG3 PRO A 43 18.808 -3.652 -5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.026 -1.092 -5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.340 -1.943 -4.623 1.00 0.00 H new ATOM 699 N GLU A 44 21.008 0.138 -5.854 1.00 0.00 N ATOM 700 CA GLU A 44 21.890 0.882 -6.769 1.00 0.00 C ATOM 701 C GLU A 44 22.061 2.347 -6.309 1.00 0.00 C ATOM 702 O GLU A 44 23.102 2.950 -6.565 1.00 0.00 O ATOM 703 CB GLU A 44 21.397 0.782 -8.261 1.00 0.00 C ATOM 704 CG GLU A 44 19.861 0.725 -8.490 1.00 0.00 C ATOM 705 CD GLU A 44 19.085 1.894 -7.858 1.00 0.00 C ATOM 706 OE1 GLU A 44 19.238 3.035 -8.334 1.00 0.00 O ATOM 707 OE2 GLU A 44 18.367 1.683 -6.857 1.00 0.00 O ATOM 0 H GLU A 44 20.081 -0.042 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 44 22.875 0.416 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 44 21.790 1.640 -8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 44 21.840 -0.109 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.665 0.711 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.479 -0.212 -8.084 1.00 0.00 H new ATOM 714 N LEU A 45 21.036 2.907 -5.630 1.00 0.00 N ATOM 715 CA LEU A 45 21.114 4.266 -5.050 1.00 0.00 C ATOM 716 C LEU A 45 22.106 4.325 -3.879 1.00 0.00 C ATOM 717 O LEU A 45 22.703 5.376 -3.638 1.00 0.00 O ATOM 718 CB LEU A 45 19.715 4.785 -4.603 1.00 0.00 C ATOM 719 CG LEU A 45 18.768 5.265 -5.746 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.425 5.774 -5.184 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.451 6.342 -6.622 1.00 0.00 C ATOM 0 H LEU A 45 20.144 2.438 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 45 21.480 4.923 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.213 3.990 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.861 5.612 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 45 18.555 4.405 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.787 6.101 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.931 4.970 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.607 6.611 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.767 6.657 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.713 7.201 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.354 5.928 -7.070 1.00 0.00 H new ATOM 733 N ILE A 46 22.264 3.201 -3.155 1.00 0.00 N ATOM 734 CA ILE A 46 23.238 3.093 -2.054 1.00 0.00 C ATOM 735 C ILE A 46 24.667 3.046 -2.609 1.00 0.00 C ATOM 736 O ILE A 46 25.532 3.793 -2.143 1.00 0.00 O ATOM 737 CB ILE A 46 22.956 1.833 -1.159 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.491 1.883 -0.624 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.982 1.714 0.004 1.00 0.00 C ATOM 740 CD1 ILE A 46 21.181 3.098 0.239 1.00 0.00 C ATOM 0 H ILE A 46 21.725 2.350 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 46 23.132 3.978 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 46 23.074 0.940 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.806 1.870 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 46 21.297 0.981 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.755 0.831 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.988 1.626 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.923 2.602 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 46 20.143 3.055 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 46 21.838 3.104 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.339 4.007 -0.342 1.00 0.00 H new ATOM 752 N GLU A 47 24.885 2.188 -3.627 1.00 0.00 N ATOM 753 CA GLU A 47 26.178 2.107 -4.345 1.00 0.00 C ATOM 754 C GLU A 47 26.577 3.489 -4.887 1.00 0.00 C ATOM 755 O GLU A 47 27.689 3.963 -4.642 1.00 0.00 O ATOM 756 CB GLU A 47 26.108 1.094 -5.518 1.00 0.00 C ATOM 757 CG GLU A 47 27.372 1.070 -6.415 1.00 0.00 C ATOM 758 CD GLU A 47 27.236 0.163 -7.645 1.00 0.00 C ATOM 759 OE1 GLU A 47 26.347 0.425 -8.485 1.00 0.00 O ATOM 760 OE2 GLU A 47 28.023 -0.797 -7.792 1.00 0.00 O ATOM 0 H GLU A 47 24.180 1.538 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 47 26.929 1.764 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.946 0.096 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.242 1.331 -6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.592 2.085 -6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.223 0.737 -5.821 1.00 0.00 H new ATOM 767 N ALA A 48 25.624 4.130 -5.585 1.00 0.00 N ATOM 768 CA ALA A 48 25.813 5.456 -6.195 1.00 0.00 C ATOM 769 C ALA A 48 26.217 6.493 -5.132 1.00 0.00 C ATOM 770 O ALA A 48 27.240 7.152 -5.268 1.00 0.00 O ATOM 771 CB ALA A 48 24.531 5.898 -6.924 1.00 0.00 C ATOM 0 H ALA A 48 24.695 3.739 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 48 26.620 5.387 -6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.686 6.880 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.291 5.178 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.707 5.949 -6.212 1.00 0.00 H new ATOM 777 N PHE A 49 25.430 6.532 -4.042 1.00 0.00 N ATOM 778 CA PHE A 49 25.614 7.471 -2.917 1.00 0.00 C ATOM 779 C PHE A 49 27.035 7.370 -2.312 1.00 0.00 C ATOM 780 O PHE A 49 27.728 8.382 -2.175 1.00 0.00 O ATOM 781 CB PHE A 49 24.535 7.186 -1.841 1.00 0.00 C ATOM 782 CG PHE A 49 24.662 8.019 -0.577 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.406 9.388 -0.596 1.00 0.00 C ATOM 784 CD2 PHE A 49 25.039 7.435 0.635 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.524 10.146 0.548 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.156 8.195 1.776 1.00 0.00 C ATOM 787 CZ PHE A 49 24.899 9.550 1.734 1.00 0.00 C ATOM 0 H PHE A 49 24.637 5.904 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 49 25.502 8.489 -3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.552 7.361 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.581 6.131 -1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.111 9.862 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 49 25.241 6.375 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.323 11.207 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.449 7.730 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.992 10.145 2.631 1.00 0.00 H new ATOM 797 N LEU A 50 27.457 6.133 -1.989 1.00 0.00 N ATOM 798 CA LEU A 50 28.756 5.855 -1.339 1.00 0.00 C ATOM 799 C LEU A 50 29.931 6.244 -2.257 1.00 0.00 C ATOM 800 O LEU A 50 30.857 6.948 -1.835 1.00 0.00 O ATOM 801 CB LEU A 50 28.838 4.360 -0.932 1.00 0.00 C ATOM 802 CG LEU A 50 27.797 3.898 0.137 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.871 2.374 0.366 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.967 4.680 1.465 1.00 0.00 C ATOM 0 H LEU A 50 26.906 5.294 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 50 28.829 6.465 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.710 3.750 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.839 4.159 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 50 26.803 4.124 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.135 2.082 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.662 1.855 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.869 2.106 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.228 4.335 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.968 4.511 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.825 5.745 1.281 1.00 0.00 H new ATOM 816 N ASN A 51 29.842 5.812 -3.529 1.00 0.00 N ATOM 817 CA ASN A 51 30.863 6.096 -4.564 1.00 0.00 C ATOM 818 C ASN A 51 30.926 7.604 -4.900 1.00 0.00 C ATOM 819 O ASN A 51 31.943 8.082 -5.402 1.00 0.00 O ATOM 820 CB ASN A 51 30.579 5.282 -5.866 1.00 0.00 C ATOM 821 CG ASN A 51 30.675 3.756 -5.703 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.411 3.206 -4.636 1.00 0.00 O ATOM 823 ND2 ASN A 51 31.030 3.058 -6.778 1.00 0.00 N ATOM 0 H ASN A 51 29.060 5.255 -3.872 1.00 0.00 H new ATOM 0 HA ASN A 51 31.826 5.792 -4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 51 29.581 5.533 -6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 51 31.283 5.597 -6.636 1.00 0.00 H new ATOM 0 HD21 ASN A 51 31.088 2.041 -6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 51 31.244 3.540 -7.651 1.00 0.00 H new ATOM 830 N SER A 52 29.828 8.338 -4.637 1.00 0.00 N ATOM 831 CA SER A 52 29.729 9.783 -4.924 1.00 0.00 C ATOM 832 C SER A 52 30.254 10.651 -3.765 1.00 0.00 C ATOM 833 O SER A 52 30.722 11.772 -4.008 1.00 0.00 O ATOM 834 CB SER A 52 28.272 10.152 -5.256 1.00 0.00 C ATOM 835 OG SER A 52 27.852 9.496 -6.437 1.00 0.00 O ATOM 0 H SER A 52 28.984 7.946 -4.219 1.00 0.00 H new ATOM 0 HA SER A 52 30.364 9.990 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.622 9.873 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.183 11.231 -5.381 1.00 0.00 H new ATOM 0 HG SER A 52 27.486 8.616 -6.210 1.00 0.00 H new ATOM 954 N GLN B 5 14.409 2.056 -8.363 1.00 0.00 N ATOM 955 CA GLN B 5 14.857 3.035 -7.365 1.00 0.00 C ATOM 956 C GLN B 5 13.656 3.382 -6.461 1.00 0.00 C ATOM 957 O GLN B 5 13.016 4.426 -6.619 1.00 0.00 O ATOM 958 CB GLN B 5 15.409 4.310 -8.066 1.00 0.00 C ATOM 959 CG GLN B 5 16.269 4.055 -9.316 1.00 0.00 C ATOM 960 CD GLN B 5 16.838 5.343 -9.913 1.00 0.00 C ATOM 961 OE1 GLN B 5 18.035 5.717 -9.494 1.00 0.00 O flip ATOM 962 NE2 GLN B 5 16.203 5.991 -10.742 1.00 0.00 N flip ATOM 0 HA GLN B 5 15.664 2.617 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.567 4.943 -8.348 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.003 4.872 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.090 3.386 -9.057 1.00 0.00 H new ATOM 0 HG3 GLN B 5 15.667 3.545 -10.068 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.282 5.672 -11.042 1.00 0.00 H new ATOM 0 HE22 GLN B 5 16.597 6.848 -11.130 1.00 0.00 H new ATOM 971 N THR B 6 13.325 2.461 -5.551 1.00 0.00 N ATOM 972 CA THR B 6 12.097 2.517 -4.739 1.00 0.00 C ATOM 973 C THR B 6 12.404 2.209 -3.268 1.00 0.00 C ATOM 974 O THR B 6 13.514 1.787 -2.925 1.00 0.00 O ATOM 975 CB THR B 6 11.026 1.500 -5.283 1.00 0.00 C ATOM 976 OG1 THR B 6 11.635 0.204 -5.474 1.00 0.00 O ATOM 977 CG2 THR B 6 10.384 1.968 -6.608 1.00 0.00 C ATOM 0 H THR B 6 13.905 1.646 -5.352 1.00 0.00 H new ATOM 0 HA THR B 6 11.694 3.527 -4.810 1.00 0.00 H new ATOM 0 HB THR B 6 10.232 1.440 -4.538 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.964 -0.426 -5.811 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.653 1.230 -6.939 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.888 2.926 -6.453 1.00 0.00 H new ATOM 0 HG23 THR B 6 11.157 2.078 -7.368 1.00 0.00 H new ATOM 985 N ALA B 7 11.405 2.439 -2.412 1.00 0.00 N ATOM 986 CA ALA B 7 11.451 2.088 -0.990 1.00 0.00 C ATOM 987 C ALA B 7 10.054 2.221 -0.384 1.00 0.00 C ATOM 988 O ALA B 7 9.146 2.811 -0.989 1.00 0.00 O ATOM 989 CB ALA B 7 12.470 2.955 -0.222 1.00 0.00 C ATOM 0 H ALA B 7 10.529 2.881 -2.691 1.00 0.00 H new ATOM 0 HA ALA B 7 11.783 1.053 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.475 2.665 0.829 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.464 2.808 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA B 7 12.191 4.005 -0.307 1.00 0.00 H new ATOM 995 N ARG B 8 9.890 1.651 0.805 1.00 0.00 N ATOM 996 CA ARG B 8 8.662 1.773 1.597 1.00 0.00 C ATOM 997 C ARG B 8 8.860 2.914 2.618 1.00 0.00 C ATOM 998 O ARG B 8 9.937 3.527 2.667 1.00 0.00 O ATOM 999 CB ARG B 8 8.388 0.418 2.297 1.00 0.00 C ATOM 1000 CG ARG B 8 6.946 0.204 2.798 1.00 0.00 C ATOM 1001 CD ARG B 8 6.775 -1.104 3.606 1.00 0.00 C ATOM 1002 NE ARG B 8 7.468 -2.258 2.993 1.00 0.00 N ATOM 1003 CZ ARG B 8 7.040 -2.985 1.950 1.00 0.00 C ATOM 1004 NH1 ARG B 8 5.922 -2.669 1.297 1.00 0.00 N ATOM 1005 NH2 ARG B 8 7.767 -4.018 1.548 1.00 0.00 N ATOM 0 H ARG B 8 10.610 1.085 1.254 1.00 0.00 H new ATOM 0 HA ARG B 8 7.801 2.011 0.972 1.00 0.00 H new ATOM 0 HB2 ARG B 8 8.635 -0.385 1.603 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.066 0.325 3.146 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.654 1.050 3.420 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.269 0.188 1.944 1.00 0.00 H new ATOM 0 HD2 ARG B 8 7.156 -0.953 4.616 1.00 0.00 H new ATOM 0 HD3 ARG B 8 5.713 -1.332 3.697 1.00 0.00 H new ATOM 0 HE ARG B 8 8.361 -2.528 3.405 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.373 -1.860 1.588 1.00 0.00 H new ATOM 0 HH12 ARG B 8 5.615 -3.236 0.507 1.00 0.00 H new ATOM 0 HH21 ARG B 8 8.636 -4.249 2.030 1.00 0.00 H new ATOM 0 HH22 ARG B 8 7.457 -4.582 0.757 1.00 0.00 H new