USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 278 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 GLU N :NH3+ -137:sc= 0.116 (180deg=-0.0713) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0452) USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= 1.07 (180deg=0.824) USER MOD Single : A 8 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.33) USER MOD Single : A 10 SER OG : rot -4:sc= 0.397 USER MOD Single : A 11 GLN : amide:sc= -0.582 K(o=-0.58,f=-1.3) USER MOD Single : A 15 GLN : amide:sc= 0.00419 K(o=0.0042,f=-1.8) USER MOD Single : A 18 LYS NZ :NH3+ -102:sc= 1.02 (180deg=-1.4!) USER MOD Single : A 22 ASN : amide:sc= 0.894 K(o=0.89,f=-0.017) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 0.844 (180deg=-1.33!) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.0624 (180deg=-0.341) USER MOD Single : A 36 ASN : amide:sc= -0.655 K(o=-0.66,f=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= 1.16 (180deg=0.742) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.668 2.342 -8.200 1.00 0.00 N ATOM 2 CA GLU A 1 0.632 1.387 -7.756 1.00 0.00 C ATOM 3 C GLU A 1 -0.334 2.255 -7.013 1.00 0.00 C ATOM 4 O GLU A 1 -0.686 3.332 -7.493 1.00 0.00 O ATOM 5 CB GLU A 1 1.247 0.272 -6.868 1.00 0.00 C ATOM 6 CG GLU A 1 2.329 -0.567 -7.572 1.00 0.00 C ATOM 7 CD GLU A 1 2.864 -1.619 -6.605 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.591 -1.493 -5.382 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.563 -2.546 -7.086 1.00 0.00 O ATOM 0 H1 GLU A 1 1.929 2.137 -9.186 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.297 3.312 -8.134 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.508 2.250 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 1 0.152 0.847 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.679 0.729 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.450 -0.391 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.913 -1.049 -8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.140 0.077 -7.912 1.00 0.00 H new ATOM 18 N ALA A 2 -0.721 1.843 -5.781 1.00 0.00 N ATOM 19 CA ALA A 2 -1.595 2.573 -4.886 1.00 0.00 C ATOM 20 C ALA A 2 -0.761 3.277 -3.829 1.00 0.00 C ATOM 21 O ALA A 2 -0.835 2.943 -2.648 1.00 0.00 O ATOM 22 CB ALA A 2 -2.615 1.613 -4.214 1.00 0.00 C ATOM 0 H ALA A 2 -0.410 0.955 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.152 3.313 -5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.263 2.180 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.220 1.130 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.079 0.855 -3.643 1.00 0.00 H new ATOM 28 N TYR A 3 0.046 4.276 -4.260 1.00 0.00 N ATOM 29 CA TYR A 3 0.776 5.216 -3.444 1.00 0.00 C ATOM 30 C TYR A 3 1.200 6.206 -4.506 1.00 0.00 C ATOM 31 O TYR A 3 0.930 5.963 -5.682 1.00 0.00 O ATOM 32 CB TYR A 3 1.933 4.652 -2.537 1.00 0.00 C ATOM 33 CG TYR A 3 3.080 3.988 -3.271 1.00 0.00 C ATOM 34 CD1 TYR A 3 3.007 2.658 -3.730 1.00 0.00 C ATOM 35 CD2 TYR A 3 4.260 4.717 -3.503 1.00 0.00 C ATOM 36 CE1 TYR A 3 4.071 2.086 -4.448 1.00 0.00 C ATOM 37 CE2 TYR A 3 5.319 4.161 -4.225 1.00 0.00 C ATOM 38 CZ TYR A 3 5.224 2.851 -4.707 1.00 0.00 C ATOM 39 OH TYR A 3 6.300 2.332 -5.455 1.00 0.00 O ATOM 0 H TYR A 3 0.199 4.438 -5.255 1.00 0.00 H new ATOM 0 HA TYR A 3 0.179 5.632 -2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.334 5.471 -1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.505 3.930 -1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.123 2.071 -3.528 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.349 5.722 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.005 1.067 -4.799 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.210 4.742 -4.411 1.00 0.00 H new ATOM 0 HH TYR A 3 7.004 3.009 -5.528 1.00 0.00 H new ATOM 49 N LYS A 4 1.847 7.332 -4.123 1.00 0.00 N ATOM 50 CA LYS A 4 2.231 8.418 -5.006 1.00 0.00 C ATOM 51 C LYS A 4 3.571 8.853 -4.457 1.00 0.00 C ATOM 52 O LYS A 4 4.456 8.042 -4.206 1.00 0.00 O ATOM 53 CB LYS A 4 1.178 9.590 -4.974 1.00 0.00 C ATOM 54 CG LYS A 4 -0.022 9.434 -5.924 1.00 0.00 C ATOM 55 CD LYS A 4 0.327 9.755 -7.388 1.00 0.00 C ATOM 56 CE LYS A 4 -0.906 9.887 -8.300 1.00 0.00 C ATOM 57 NZ LYS A 4 -0.536 10.401 -9.650 1.00 0.00 N ATOM 0 H LYS A 4 2.118 7.498 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 4 2.280 8.119 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.802 9.688 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.691 10.521 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.398 8.413 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.827 10.091 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.895 10.685 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.975 8.971 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.391 8.916 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.630 10.559 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.390 10.478 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.095 11.338 -9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.136 9.746 -10.099 1.00 0.00 H new ATOM 71 N LYS A 5 3.732 10.167 -4.171 1.00 0.00 N ATOM 72 CA LYS A 5 4.789 10.748 -3.359 1.00 0.00 C ATOM 73 C LYS A 5 4.073 11.438 -2.223 1.00 0.00 C ATOM 74 O LYS A 5 4.576 12.381 -1.622 1.00 0.00 O ATOM 75 CB LYS A 5 5.740 11.710 -4.140 1.00 0.00 C ATOM 76 CG LYS A 5 6.894 10.949 -4.817 1.00 0.00 C ATOM 77 CD LYS A 5 7.847 11.848 -5.628 1.00 0.00 C ATOM 78 CE LYS A 5 9.172 11.173 -6.037 1.00 0.00 C ATOM 79 NZ LYS A 5 10.047 10.918 -4.854 1.00 0.00 N ATOM 0 H LYS A 5 3.087 10.873 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 5 5.470 9.973 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.169 12.251 -4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.148 12.453 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.468 10.425 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.476 10.190 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.332 12.183 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.074 12.738 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.960 10.231 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.699 11.807 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.980 10.590 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.158 11.797 -4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.613 10.189 -4.252 1.00 0.00 H new ATOM 93 N ALA A 6 2.877 10.875 -1.896 1.00 0.00 N ATOM 94 CA ALA A 6 2.194 10.893 -0.622 1.00 0.00 C ATOM 95 C ALA A 6 2.677 9.649 0.092 1.00 0.00 C ATOM 96 O ALA A 6 2.786 8.583 -0.517 1.00 0.00 O ATOM 97 CB ALA A 6 0.646 10.854 -0.741 1.00 0.00 C ATOM 0 H ALA A 6 2.341 10.359 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 6 2.416 11.822 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.204 10.870 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.302 11.721 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.344 9.943 -1.257 1.00 0.00 H new ATOM 103 N LYS A 7 3.005 9.803 1.395 1.00 0.00 N ATOM 104 CA LYS A 7 3.780 8.883 2.212 1.00 0.00 C ATOM 105 C LYS A 7 2.885 8.011 3.060 1.00 0.00 C ATOM 106 O LYS A 7 3.307 6.958 3.533 1.00 0.00 O ATOM 107 CB LYS A 7 4.752 9.661 3.180 1.00 0.00 C ATOM 108 CG LYS A 7 4.201 11.029 3.645 1.00 0.00 C ATOM 109 CD LYS A 7 4.796 11.667 4.921 1.00 0.00 C ATOM 110 CE LYS A 7 6.331 11.838 5.034 1.00 0.00 C ATOM 111 NZ LYS A 7 6.996 10.636 5.597 1.00 0.00 N ATOM 0 H LYS A 7 2.711 10.626 1.921 1.00 0.00 H new ATOM 0 HA LYS A 7 4.354 8.265 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.951 9.043 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.706 9.816 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.336 11.736 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.127 10.919 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.347 12.653 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.469 11.068 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.744 12.049 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.552 12.700 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.878 10.917 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.364 10.180 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.213 9.968 4.830 1.00 0.00 H new ATOM 125 N GLN A 8 1.654 8.491 3.351 1.00 0.00 N ATOM 126 CA GLN A 8 0.739 7.964 4.329 1.00 0.00 C ATOM 127 C GLN A 8 -0.266 9.085 4.301 1.00 0.00 C ATOM 128 O GLN A 8 -0.361 9.751 3.271 1.00 0.00 O ATOM 129 CB GLN A 8 1.309 7.759 5.781 1.00 0.00 C ATOM 130 CG GLN A 8 0.534 6.716 6.618 1.00 0.00 C ATOM 131 CD GLN A 8 0.766 5.305 6.090 1.00 0.00 C ATOM 132 OE1 GLN A 8 -0.173 4.608 5.724 1.00 0.00 O ATOM 133 NE2 GLN A 8 2.042 4.854 6.056 1.00 0.00 N ATOM 0 H GLN A 8 1.273 9.305 2.868 1.00 0.00 H new ATOM 0 HA GLN A 8 0.399 6.955 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.352 7.451 5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.293 8.715 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.850 6.774 7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.531 6.946 6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.804 5.456 6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.241 3.912 5.719 1.00 0.00 H new ATOM 142 N ALA A 9 -0.942 9.368 5.448 1.00 0.00 N ATOM 143 CA ALA A 9 -1.856 10.476 5.662 1.00 0.00 C ATOM 144 C ALA A 9 -1.090 11.611 6.309 1.00 0.00 C ATOM 145 O ALA A 9 -0.331 12.326 5.656 1.00 0.00 O ATOM 146 CB ALA A 9 -3.062 10.069 6.555 1.00 0.00 C ATOM 0 H ALA A 9 -0.844 8.786 6.280 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.261 10.786 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.721 10.927 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.613 9.260 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.699 9.734 7.527 1.00 0.00 H new ATOM 152 N SER A 10 -1.243 11.849 7.630 1.00 0.00 N ATOM 153 CA SER A 10 -0.522 12.924 8.283 1.00 0.00 C ATOM 154 C SER A 10 -0.275 12.542 9.712 1.00 0.00 C ATOM 155 O SER A 10 -0.451 13.355 10.608 1.00 0.00 O ATOM 156 CB SER A 10 -1.274 14.295 8.197 1.00 0.00 C ATOM 157 OG SER A 10 -1.428 14.698 6.834 1.00 0.00 O ATOM 0 H SER A 10 -1.854 11.311 8.244 1.00 0.00 H new ATOM 0 HA SER A 10 0.425 13.065 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.252 14.210 8.670 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.719 15.056 8.747 1.00 0.00 H new ATOM 0 HG SER A 10 -0.967 14.060 6.250 1.00 0.00 H new ATOM 163 N GLN A 11 0.207 11.293 9.957 1.00 0.00 N ATOM 164 CA GLN A 11 0.521 10.706 11.260 1.00 0.00 C ATOM 165 C GLN A 11 1.972 10.944 11.589 1.00 0.00 C ATOM 166 O GLN A 11 2.424 10.819 12.716 1.00 0.00 O ATOM 167 CB GLN A 11 0.319 9.157 11.231 1.00 0.00 C ATOM 168 CG GLN A 11 1.040 8.414 10.073 1.00 0.00 C ATOM 169 CD GLN A 11 0.928 6.915 10.300 1.00 0.00 C ATOM 170 OE1 GLN A 11 -0.081 6.452 10.816 1.00 0.00 O ATOM 171 NE2 GLN A 11 1.967 6.130 9.917 1.00 0.00 N ATOM 0 H GLN A 11 0.393 10.642 9.194 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.138 11.166 11.996 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.667 8.744 12.178 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.749 8.948 11.166 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.593 8.684 9.116 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.088 8.711 10.030 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.793 6.550 9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.922 5.121 10.056 1.00 0.00 H new ATOM 180 N ASP A 12 2.723 11.264 10.514 1.00 0.00 N ATOM 181 CA ASP A 12 4.158 11.360 10.391 1.00 0.00 C ATOM 182 C ASP A 12 4.535 12.818 10.465 1.00 0.00 C ATOM 183 O ASP A 12 5.693 13.215 10.554 1.00 0.00 O ATOM 184 CB ASP A 12 4.472 10.770 8.998 1.00 0.00 C ATOM 185 CG ASP A 12 5.870 10.256 8.854 1.00 0.00 C ATOM 186 OD1 ASP A 12 6.724 10.371 9.754 1.00 0.00 O ATOM 187 OD2 ASP A 12 6.088 9.707 7.748 1.00 0.00 O ATOM 0 H ASP A 12 2.271 11.481 9.626 1.00 0.00 H new ATOM 0 HA ASP A 12 4.708 10.833 11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.775 9.958 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.298 11.537 8.243 1.00 0.00 H new ATOM 192 N ALA A 13 3.472 13.655 10.456 1.00 0.00 N ATOM 193 CA ALA A 13 3.500 15.099 10.450 1.00 0.00 C ATOM 194 C ALA A 13 3.272 15.630 11.843 1.00 0.00 C ATOM 195 O ALA A 13 3.545 16.797 12.109 1.00 0.00 O ATOM 196 CB ALA A 13 2.408 15.672 9.515 1.00 0.00 C ATOM 0 H ALA A 13 2.518 13.295 10.453 1.00 0.00 H new ATOM 0 HA ALA A 13 4.480 15.409 10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.451 16.761 9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.576 15.316 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.427 15.344 9.858 1.00 0.00 H new ATOM 202 N GLU A 14 2.796 14.754 12.776 1.00 0.00 N ATOM 203 CA GLU A 14 2.533 15.048 14.169 1.00 0.00 C ATOM 204 C GLU A 14 3.807 14.914 14.969 1.00 0.00 C ATOM 205 O GLU A 14 4.065 15.662 15.909 1.00 0.00 O ATOM 206 CB GLU A 14 1.523 14.025 14.753 1.00 0.00 C ATOM 207 CG GLU A 14 1.052 14.320 16.200 1.00 0.00 C ATOM 208 CD GLU A 14 0.877 13.034 17.005 1.00 0.00 C ATOM 209 OE1 GLU A 14 0.690 11.957 16.393 1.00 0.00 O ATOM 210 OE2 GLU A 14 0.945 13.094 18.263 1.00 0.00 O ATOM 0 H GLU A 14 2.584 13.785 12.539 1.00 0.00 H new ATOM 0 HA GLU A 14 2.134 16.061 14.229 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.649 13.989 14.103 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.978 13.035 14.730 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.778 14.965 16.696 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.108 14.865 16.173 1.00 0.00 H new ATOM 217 N GLN A 15 4.686 13.950 14.599 1.00 0.00 N ATOM 218 CA GLN A 15 5.904 13.659 15.350 1.00 0.00 C ATOM 219 C GLN A 15 7.025 14.592 14.894 1.00 0.00 C ATOM 220 O GLN A 15 7.861 15.052 15.669 1.00 0.00 O ATOM 221 CB GLN A 15 6.243 12.139 15.304 1.00 0.00 C ATOM 222 CG GLN A 15 6.444 11.492 16.703 1.00 0.00 C ATOM 223 CD GLN A 15 7.556 12.149 17.517 1.00 0.00 C ATOM 224 OE1 GLN A 15 7.319 12.699 18.591 1.00 0.00 O ATOM 225 NE2 GLN A 15 8.795 12.093 16.991 1.00 0.00 N ATOM 0 H GLN A 15 4.560 13.363 13.775 1.00 0.00 H new ATOM 0 HA GLN A 15 5.757 13.868 16.410 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.441 11.614 14.784 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.150 11.997 14.716 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.510 11.553 17.261 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.672 10.434 16.577 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.949 11.627 16.097 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.579 12.517 17.487 1.00 0.00 H new ATOM 234 N ALA A 16 6.905 15.049 13.617 1.00 0.00 N ATOM 235 CA ALA A 16 7.695 16.098 12.991 1.00 0.00 C ATOM 236 C ALA A 16 7.297 17.504 13.431 1.00 0.00 C ATOM 237 O ALA A 16 7.970 18.474 13.095 1.00 0.00 O ATOM 238 CB ALA A 16 7.566 16.027 11.447 1.00 0.00 C ATOM 0 H ALA A 16 6.211 14.661 12.978 1.00 0.00 H new ATOM 0 HA ALA A 16 8.721 15.919 13.311 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.163 16.819 10.995 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.923 15.059 11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.521 16.154 11.163 1.00 0.00 H new ATOM 244 N ALA A 17 6.190 17.622 14.222 1.00 0.00 N ATOM 245 CA ALA A 17 5.817 18.833 14.940 1.00 0.00 C ATOM 246 C ALA A 17 6.433 18.824 16.326 1.00 0.00 C ATOM 247 O ALA A 17 6.753 19.868 16.888 1.00 0.00 O ATOM 248 CB ALA A 17 4.283 19.046 15.044 1.00 0.00 C ATOM 0 H ALA A 17 5.535 16.853 14.367 1.00 0.00 H new ATOM 0 HA ALA A 17 6.206 19.668 14.358 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.080 19.967 15.591 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.857 19.117 14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.834 18.204 15.571 1.00 0.00 H new ATOM 254 N LYS A 18 6.682 17.612 16.893 1.00 0.00 N ATOM 255 CA LYS A 18 7.117 17.381 18.262 1.00 0.00 C ATOM 256 C LYS A 18 8.599 17.570 18.429 1.00 0.00 C ATOM 257 O LYS A 18 9.041 18.118 19.434 1.00 0.00 O ATOM 258 CB LYS A 18 6.737 15.964 18.759 1.00 0.00 C ATOM 259 CG LYS A 18 5.243 15.878 19.052 1.00 0.00 C ATOM 260 CD LYS A 18 4.805 14.451 19.363 1.00 0.00 C ATOM 261 CE LYS A 18 3.370 14.394 19.874 1.00 0.00 C ATOM 262 NZ LYS A 18 2.849 13.007 19.909 1.00 0.00 N ATOM 0 H LYS A 18 6.575 16.743 16.369 1.00 0.00 H new ATOM 0 HA LYS A 18 6.595 18.126 18.863 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.008 15.224 18.006 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.303 15.725 19.659 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.001 16.524 19.896 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.683 16.251 18.194 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.895 13.840 18.465 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.473 14.021 20.109 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.324 14.824 20.874 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.733 15.005 19.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.226 12.850 19.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.643 12.337 19.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.312 12.860 20.787 1.00 0.00 H new ATOM 276 N ASP A 19 9.403 17.183 17.405 1.00 0.00 N ATOM 277 CA ASP A 19 10.853 17.366 17.364 1.00 0.00 C ATOM 278 C ASP A 19 11.223 18.699 16.730 1.00 0.00 C ATOM 279 O ASP A 19 12.394 19.046 16.592 1.00 0.00 O ATOM 280 CB ASP A 19 11.595 16.211 16.627 1.00 0.00 C ATOM 281 CG ASP A 19 11.282 14.887 17.329 1.00 0.00 C ATOM 282 OD1 ASP A 19 11.700 14.718 18.502 1.00 0.00 O ATOM 283 OD2 ASP A 19 10.613 14.022 16.705 1.00 0.00 O ATOM 0 H ASP A 19 9.038 16.725 16.570 1.00 0.00 H new ATOM 0 HA ASP A 19 11.182 17.355 18.403 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.281 16.167 15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.670 16.393 16.629 1.00 0.00 H new ATOM 288 N ALA A 20 10.178 19.498 16.379 1.00 0.00 N ATOM 289 CA ALA A 20 10.232 20.921 16.119 1.00 0.00 C ATOM 290 C ALA A 20 9.969 21.687 17.407 1.00 0.00 C ATOM 291 O ALA A 20 10.800 22.515 17.779 1.00 0.00 O ATOM 292 CB ALA A 20 9.260 21.364 14.999 1.00 0.00 C ATOM 0 H ALA A 20 9.235 19.124 16.270 1.00 0.00 H new ATOM 0 HA ALA A 20 11.234 21.152 15.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.345 22.440 14.848 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.512 20.847 14.073 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.238 21.117 15.286 1.00 0.00 H new ATOM 298 N GLU A 21 8.823 21.397 18.130 1.00 0.00 N ATOM 299 CA GLU A 21 8.356 22.016 19.389 1.00 0.00 C ATOM 300 C GLU A 21 9.328 21.833 20.558 1.00 0.00 C ATOM 301 O GLU A 21 9.568 22.766 21.328 1.00 0.00 O ATOM 302 CB GLU A 21 6.935 21.516 19.898 1.00 0.00 C ATOM 303 CG GLU A 21 5.661 22.006 19.142 1.00 0.00 C ATOM 304 CD GLU A 21 4.382 21.460 19.828 1.00 0.00 C ATOM 305 OE1 GLU A 21 4.245 21.724 21.054 1.00 0.00 O ATOM 306 OE2 GLU A 21 3.568 20.754 19.174 1.00 0.00 O ATOM 0 H GLU A 21 8.176 20.676 17.810 1.00 0.00 H new ATOM 0 HA GLU A 21 8.286 23.066 19.103 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.938 20.426 19.872 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.834 21.810 20.943 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.636 23.096 19.126 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.695 21.673 18.105 1.00 0.00 H new ATOM 313 N ASN A 22 9.962 20.624 20.677 1.00 0.00 N ATOM 314 CA ASN A 22 10.905 20.215 21.736 1.00 0.00 C ATOM 315 C ASN A 22 12.193 21.006 21.820 1.00 0.00 C ATOM 316 O ASN A 22 12.872 20.964 22.840 1.00 0.00 O ATOM 317 CB ASN A 22 11.272 18.688 21.678 1.00 0.00 C ATOM 318 CG ASN A 22 10.341 17.902 22.606 1.00 0.00 C ATOM 319 OD1 ASN A 22 10.403 17.969 23.829 1.00 0.00 O ATOM 320 ND2 ASN A 22 9.415 17.143 21.987 1.00 0.00 N ATOM 0 H ASN A 22 9.812 19.880 19.995 1.00 0.00 H new ATOM 0 HA ASN A 22 10.331 20.436 22.636 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.180 18.320 20.656 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.310 18.541 21.977 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.744 16.607 22.537 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.385 17.105 20.968 1.00 0.00 H new ATOM 327 N ALA A 23 12.521 21.828 20.792 1.00 0.00 N ATOM 328 CA ALA A 23 13.651 22.747 20.810 1.00 0.00 C ATOM 329 C ALA A 23 13.414 23.999 21.644 1.00 0.00 C ATOM 330 O ALA A 23 14.359 24.552 22.199 1.00 0.00 O ATOM 331 CB ALA A 23 14.064 23.157 19.373 1.00 0.00 C ATOM 0 H ALA A 23 11.990 21.860 19.921 1.00 0.00 H new ATOM 0 HA ALA A 23 14.460 22.193 21.286 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.910 23.843 19.419 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.348 22.269 18.809 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.225 23.648 18.879 1.00 0.00 H new ATOM 337 N SER A 24 12.133 24.455 21.769 1.00 0.00 N ATOM 338 CA SER A 24 11.706 25.585 22.582 1.00 0.00 C ATOM 339 C SER A 24 11.316 25.203 23.979 1.00 0.00 C ATOM 340 O SER A 24 11.543 25.983 24.898 1.00 0.00 O ATOM 341 CB SER A 24 10.540 26.390 21.930 1.00 0.00 C ATOM 342 OG SER A 24 10.900 26.750 20.601 1.00 0.00 O ATOM 0 H SER A 24 11.355 24.013 21.278 1.00 0.00 H new ATOM 0 HA SER A 24 12.589 26.221 22.638 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.629 25.791 21.922 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.328 27.284 22.516 1.00 0.00 H new ATOM 0 HG SER A 24 10.168 27.254 20.189 1.00 0.00 H new ATOM 348 N LYS A 25 10.780 23.965 24.166 1.00 0.00 N ATOM 349 CA LYS A 25 10.191 23.363 25.370 1.00 0.00 C ATOM 350 C LYS A 25 11.106 23.230 26.582 1.00 0.00 C ATOM 351 O LYS A 25 10.672 22.899 27.680 1.00 0.00 O ATOM 352 CB LYS A 25 9.680 21.934 25.027 1.00 0.00 C ATOM 353 CG LYS A 25 8.384 21.894 24.195 1.00 0.00 C ATOM 354 CD LYS A 25 7.105 22.231 24.974 1.00 0.00 C ATOM 355 CE LYS A 25 6.675 21.153 25.980 1.00 0.00 C ATOM 356 NZ LYS A 25 5.612 21.672 26.865 1.00 0.00 N ATOM 0 H LYS A 25 10.753 23.305 23.389 1.00 0.00 H new ATOM 0 HA LYS A 25 9.404 24.060 25.656 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.462 21.405 24.482 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.515 21.389 25.957 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.481 22.593 23.364 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.277 20.899 23.763 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.255 23.170 25.507 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.294 22.394 24.265 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.317 20.272 25.448 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.532 20.839 26.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.654 21.183 27.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.749 22.693 27.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.684 21.507 26.426 1.00 0.00 H new ATOM 370 N GLU A 26 12.409 23.510 26.383 1.00 0.00 N ATOM 371 CA GLU A 26 13.453 23.625 27.395 1.00 0.00 C ATOM 372 C GLU A 26 13.412 24.982 28.122 1.00 0.00 C ATOM 373 O GLU A 26 13.051 25.119 29.293 1.00 0.00 O ATOM 374 CB GLU A 26 14.830 23.420 26.668 1.00 0.00 C ATOM 375 CG GLU A 26 15.844 22.484 27.342 1.00 0.00 C ATOM 376 CD GLU A 26 16.621 23.178 28.459 1.00 0.00 C ATOM 377 OE1 GLU A 26 17.169 24.278 28.173 1.00 0.00 O ATOM 378 OE2 GLU A 26 16.715 22.600 29.575 1.00 0.00 O ATOM 0 H GLU A 26 12.774 23.671 25.444 1.00 0.00 H new ATOM 0 HA GLU A 26 13.302 22.869 28.166 1.00 0.00 H new ATOM 0 HB2 GLU A 26 14.630 23.038 25.667 1.00 0.00 H new ATOM 0 HB3 GLU A 26 15.298 24.397 26.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.321 21.619 27.750 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.543 22.111 26.594 1.00 0.00 H new ATOM 385 N ALA A 27 13.782 26.045 27.363 1.00 0.00 N ATOM 386 CA ALA A 27 14.078 27.387 27.830 1.00 0.00 C ATOM 387 C ALA A 27 12.861 28.277 27.853 1.00 0.00 C ATOM 388 O ALA A 27 12.761 29.187 28.678 1.00 0.00 O ATOM 389 CB ALA A 27 15.172 28.045 26.952 1.00 0.00 C ATOM 0 H ALA A 27 13.882 25.963 26.351 1.00 0.00 H new ATOM 0 HA ALA A 27 14.436 27.281 28.854 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.378 29.050 27.320 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.083 27.448 26.998 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.826 28.100 25.920 1.00 0.00 H new ATOM 395 N GLU A 28 11.857 28.000 26.978 1.00 0.00 N ATOM 396 CA GLU A 28 10.639 28.792 26.829 1.00 0.00 C ATOM 397 C GLU A 28 9.574 28.274 27.766 1.00 0.00 C ATOM 398 O GLU A 28 8.613 28.968 28.077 1.00 0.00 O ATOM 399 CB GLU A 28 10.149 28.812 25.358 1.00 0.00 C ATOM 400 CG GLU A 28 8.930 29.713 25.018 1.00 0.00 C ATOM 401 CD GLU A 28 7.721 28.834 24.665 1.00 0.00 C ATOM 402 OE1 GLU A 28 7.916 27.889 23.849 1.00 0.00 O ATOM 403 OE2 GLU A 28 6.596 29.106 25.178 1.00 0.00 O ATOM 0 H GLU A 28 11.888 27.198 26.349 1.00 0.00 H new ATOM 0 HA GLU A 28 10.861 29.825 27.097 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.983 29.125 24.730 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.901 27.790 25.073 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.691 30.354 25.867 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.172 30.369 24.182 1.00 0.00 H new ATOM 410 N GLU A 29 9.790 27.061 28.344 1.00 0.00 N ATOM 411 CA GLU A 29 8.939 26.494 29.381 1.00 0.00 C ATOM 412 C GLU A 29 9.424 26.917 30.756 1.00 0.00 C ATOM 413 O GLU A 29 8.650 27.098 31.695 1.00 0.00 O ATOM 414 CB GLU A 29 8.872 24.961 29.238 1.00 0.00 C ATOM 415 CG GLU A 29 7.694 24.303 29.985 1.00 0.00 C ATOM 416 CD GLU A 29 7.021 23.318 29.042 1.00 0.00 C ATOM 417 OE1 GLU A 29 6.424 23.787 28.036 1.00 0.00 O ATOM 418 OE2 GLU A 29 7.078 22.077 29.223 1.00 0.00 O ATOM 0 H GLU A 29 10.572 26.458 28.088 1.00 0.00 H new ATOM 0 HA GLU A 29 7.926 26.879 29.262 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.801 24.710 28.180 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.804 24.533 29.606 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.050 23.790 30.879 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.982 25.060 30.314 1.00 0.00 H new ATOM 425 N ALA A 30 10.750 27.198 30.853 1.00 0.00 N ATOM 426 CA ALA A 30 11.425 27.722 32.032 1.00 0.00 C ATOM 427 C ALA A 30 11.229 29.225 32.147 1.00 0.00 C ATOM 428 O ALA A 30 10.874 29.725 33.211 1.00 0.00 O ATOM 429 CB ALA A 30 12.931 27.379 32.028 1.00 0.00 C ATOM 0 H ALA A 30 11.389 27.054 30.071 1.00 0.00 H new ATOM 0 HA ALA A 30 10.974 27.242 32.901 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.399 27.787 32.924 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.058 26.296 32.013 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.400 27.811 31.144 1.00 0.00 H new ATOM 435 N ALA A 31 11.336 29.971 31.006 1.00 0.00 N ATOM 436 CA ALA A 31 11.029 31.386 30.874 1.00 0.00 C ATOM 437 C ALA A 31 9.566 31.623 30.543 1.00 0.00 C ATOM 438 O ALA A 31 9.228 32.516 29.767 1.00 0.00 O ATOM 439 CB ALA A 31 11.919 32.078 29.798 1.00 0.00 C ATOM 0 H ALA A 31 11.655 29.562 30.128 1.00 0.00 H new ATOM 0 HA ALA A 31 11.244 31.830 31.846 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.656 33.134 29.732 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.968 31.982 30.077 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.756 31.603 28.831 1.00 0.00 H new ATOM 445 N LYS A 32 8.666 30.844 31.194 1.00 0.00 N ATOM 446 CA LYS A 32 7.243 31.028 31.206 1.00 0.00 C ATOM 447 C LYS A 32 6.847 30.841 32.626 1.00 0.00 C ATOM 448 O LYS A 32 6.830 31.809 33.391 1.00 0.00 O ATOM 449 CB LYS A 32 6.448 30.096 30.252 1.00 0.00 C ATOM 450 CG LYS A 32 4.907 30.287 30.222 1.00 0.00 C ATOM 451 CD LYS A 32 4.434 31.672 29.726 1.00 0.00 C ATOM 452 CE LYS A 32 3.102 31.667 28.950 1.00 0.00 C ATOM 453 NZ LYS A 32 3.211 30.856 27.695 1.00 0.00 N ATOM 0 H LYS A 32 8.957 30.036 31.745 1.00 0.00 H new ATOM 0 HA LYS A 32 6.996 32.017 30.821 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.829 30.238 29.241 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.658 29.063 30.530 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.473 29.520 29.581 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.515 30.123 31.226 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.333 32.334 30.586 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.208 32.096 29.086 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.312 31.261 29.581 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.818 32.690 28.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.444 31.119 27.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.129 31.040 27.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.136 29.845 27.927 1.00 0.00 H new ATOM 467 N GLU A 33 6.562 29.577 33.055 1.00 0.00 N ATOM 468 CA GLU A 33 5.758 29.319 34.244 1.00 0.00 C ATOM 469 C GLU A 33 6.577 29.457 35.514 1.00 0.00 C ATOM 470 O GLU A 33 6.065 29.848 36.549 1.00 0.00 O ATOM 471 CB GLU A 33 5.033 27.940 34.186 1.00 0.00 C ATOM 472 CG GLU A 33 3.788 27.845 35.103 1.00 0.00 C ATOM 473 CD GLU A 33 3.382 26.385 35.321 1.00 0.00 C ATOM 474 OE1 GLU A 33 4.354 25.612 35.527 1.00 0.00 O ATOM 475 OE2 GLU A 33 2.179 26.007 35.306 1.00 0.00 O ATOM 0 H GLU A 33 6.886 28.734 32.581 1.00 0.00 H new ATOM 0 HA GLU A 33 4.982 30.084 34.263 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.730 27.743 33.158 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.739 27.158 34.466 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.002 28.315 36.063 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.959 28.395 34.656 1.00 0.00 H new ATOM 482 N ALA A 34 7.913 29.243 35.419 1.00 0.00 N ATOM 483 CA ALA A 34 8.863 29.421 36.510 1.00 0.00 C ATOM 484 C ALA A 34 9.460 30.821 36.551 1.00 0.00 C ATOM 485 O ALA A 34 10.463 31.052 37.227 1.00 0.00 O ATOM 486 CB ALA A 34 9.988 28.350 36.457 1.00 0.00 C ATOM 0 H ALA A 34 8.356 28.934 34.553 1.00 0.00 H new ATOM 0 HA ALA A 34 8.297 29.289 37.432 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.681 28.509 37.283 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.548 27.356 36.538 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.525 28.433 35.512 1.00 0.00 H new ATOM 492 N VAL A 35 8.847 31.785 35.812 1.00 0.00 N ATOM 493 CA VAL A 35 9.225 33.184 35.758 1.00 0.00 C ATOM 494 C VAL A 35 8.025 34.006 36.160 1.00 0.00 C ATOM 495 O VAL A 35 8.068 34.689 37.177 1.00 0.00 O ATOM 496 CB VAL A 35 9.779 33.618 34.391 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.902 35.159 34.215 1.00 0.00 C ATOM 498 CG2 VAL A 35 11.179 32.986 34.260 1.00 0.00 C ATOM 0 H VAL A 35 8.043 31.577 35.219 1.00 0.00 H new ATOM 0 HA VAL A 35 10.049 33.347 36.452 1.00 0.00 H new ATOM 0 HB VAL A 35 9.081 33.286 33.622 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.300 35.382 33.225 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.919 35.617 34.322 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.574 35.559 34.974 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.616 33.266 33.302 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.817 33.344 35.068 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.095 31.901 34.317 1.00 0.00 H new ATOM 508 N ASN A 36 6.944 34.039 35.339 1.00 0.00 N ATOM 509 CA ASN A 36 5.972 35.139 35.362 1.00 0.00 C ATOM 510 C ASN A 36 4.692 34.738 36.057 1.00 0.00 C ATOM 511 O ASN A 36 4.041 35.568 36.708 1.00 0.00 O ATOM 512 CB ASN A 36 5.744 35.766 33.947 1.00 0.00 C ATOM 513 CG ASN A 36 5.553 34.676 32.904 1.00 0.00 C ATOM 514 OD1 ASN A 36 4.566 33.960 32.991 1.00 0.00 O ATOM 515 ND2 ASN A 36 6.467 34.474 31.931 1.00 0.00 N ATOM 0 H ASN A 36 6.732 33.311 34.656 1.00 0.00 H new ATOM 0 HA ASN A 36 6.404 35.940 35.962 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.868 36.415 33.967 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.597 36.389 33.678 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.338 33.718 31.259 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.287 35.078 31.868 1.00 0.00 H new ATOM 522 N LEU A 37 4.323 33.432 35.907 1.00 0.00 N ATOM 523 CA LEU A 37 3.278 32.703 36.615 1.00 0.00 C ATOM 524 C LEU A 37 1.901 33.046 36.054 1.00 0.00 C ATOM 525 O LEU A 37 0.886 33.023 36.745 1.00 0.00 O ATOM 526 CB LEU A 37 3.381 32.832 38.178 1.00 0.00 C ATOM 527 CG LEU A 37 3.145 31.545 39.013 1.00 0.00 C ATOM 528 CD1 LEU A 37 1.679 31.075 39.059 1.00 0.00 C ATOM 529 CD2 LEU A 37 4.077 30.388 38.648 1.00 0.00 C ATOM 0 H LEU A 37 4.798 32.834 35.231 1.00 0.00 H new ATOM 0 HA LEU A 37 3.436 31.641 36.429 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.372 33.215 38.421 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.661 33.583 38.503 1.00 0.00 H new ATOM 0 HG LEU A 37 3.403 31.860 40.024 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.606 30.171 39.663 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.060 31.857 39.499 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.332 30.865 38.047 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.850 29.526 39.275 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.934 30.123 37.600 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.112 30.690 38.808 1.00 0.00 H new ATOM 541 N LYS A 38 1.900 33.472 34.772 1.00 0.00 N ATOM 542 CA LYS A 38 0.788 34.017 34.037 1.00 0.00 C ATOM 543 C LYS A 38 0.890 33.390 32.630 1.00 0.00 C ATOM 544 O LYS A 38 -0.097 33.514 31.853 1.00 0.00 O ATOM 545 CB LYS A 38 0.928 35.553 33.868 1.00 0.00 C ATOM 546 CG LYS A 38 0.791 36.349 35.180 1.00 0.00 C ATOM 547 CD LYS A 38 1.653 37.620 35.225 1.00 0.00 C ATOM 548 CE LYS A 38 1.740 38.285 36.612 1.00 0.00 C ATOM 549 NZ LYS A 38 2.181 37.330 37.671 1.00 0.00 N ATOM 550 OXT LYS A 38 1.976 32.842 32.298 1.00 0.00 O ATOM 0 H LYS A 38 2.746 33.432 34.203 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.150 33.810 34.552 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.899 35.771 33.424 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.171 35.900 33.165 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.254 36.625 35.320 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.065 35.705 36.016 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.661 37.372 34.891 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.250 38.342 34.515 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.436 39.122 36.568 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.766 38.695 36.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.785 37.827 38.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.348 36.944 38.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.718 36.553 37.236 1.00 0.00 H new TER 564 LYS A 38