USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=5 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+ -144:sc= 0.129 (180deg=-0.399) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 1.08 K(o=1.1,f=-0.24) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.026) USER MOD Single : A 15 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 1.21 K(o=1.2,f=-0.21) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= 0.491 (180deg=-2.09!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.993 K(o=0.99,f=-0.5) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -0.348 10.091 -2.097 1.00 0.00 N ATOM 2 CA GLU A 1 0.358 9.238 -3.073 1.00 0.00 C ATOM 3 C GLU A 1 -0.548 8.060 -3.237 1.00 0.00 C ATOM 4 O GLU A 1 -1.763 8.242 -3.203 1.00 0.00 O ATOM 5 CB GLU A 1 1.759 8.855 -2.535 1.00 0.00 C ATOM 6 CG GLU A 1 2.559 10.071 -2.034 1.00 0.00 C ATOM 7 CD GLU A 1 3.885 9.549 -1.522 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.679 9.093 -2.384 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.088 9.554 -0.283 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.198 11.092 -2.338 1.00 0.00 H new ATOM 0 H2 GLU A 1 -1.366 9.878 -2.122 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.021 9.905 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 1 0.549 9.725 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.647 8.139 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.322 8.356 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.713 10.790 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.017 10.589 -1.243 1.00 0.00 H new ATOM 18 N ALA A 2 0.001 6.829 -3.366 1.00 0.00 N ATOM 19 CA ALA A 2 -0.796 5.629 -3.468 1.00 0.00 C ATOM 20 C ALA A 2 0.118 4.513 -3.047 1.00 0.00 C ATOM 21 O ALA A 2 0.620 3.778 -3.895 1.00 0.00 O ATOM 22 CB ALA A 2 -1.353 5.368 -4.896 1.00 0.00 C ATOM 0 H ALA A 2 1.007 6.662 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.683 5.717 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.941 4.450 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.985 6.203 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.524 5.267 -5.597 1.00 0.00 H new ATOM 28 N TYR A 3 0.380 4.421 -1.712 1.00 0.00 N ATOM 29 CA TYR A 3 1.164 3.413 -1.004 1.00 0.00 C ATOM 30 C TYR A 3 2.601 3.887 -0.897 1.00 0.00 C ATOM 31 O TYR A 3 2.904 4.743 -0.071 1.00 0.00 O ATOM 32 CB TYR A 3 0.969 1.934 -1.515 1.00 0.00 C ATOM 33 CG TYR A 3 1.609 0.824 -0.698 1.00 0.00 C ATOM 34 CD1 TYR A 3 1.595 0.789 0.713 1.00 0.00 C ATOM 35 CD2 TYR A 3 2.195 -0.255 -1.385 1.00 0.00 C ATOM 36 CE1 TYR A 3 2.166 -0.292 1.414 1.00 0.00 C ATOM 37 CE2 TYR A 3 2.762 -1.334 -0.698 1.00 0.00 C ATOM 38 CZ TYR A 3 2.744 -1.360 0.699 1.00 0.00 C ATOM 39 OH TYR A 3 3.282 -2.494 1.347 1.00 0.00 O ATOM 0 H TYR A 3 0.009 5.117 -1.065 1.00 0.00 H new ATOM 0 HA TYR A 3 0.771 3.324 0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -0.101 1.736 -1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.360 1.874 -2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.141 1.601 1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.207 -0.250 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.161 -0.302 2.494 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.214 -2.147 -1.247 1.00 0.00 H new ATOM 0 HH TYR A 3 3.632 -3.118 0.677 1.00 0.00 H new ATOM 49 N LYS A 4 3.507 3.333 -1.747 1.00 0.00 N ATOM 50 CA LYS A 4 4.942 3.580 -1.847 1.00 0.00 C ATOM 51 C LYS A 4 5.735 2.908 -0.737 1.00 0.00 C ATOM 52 O LYS A 4 6.182 1.774 -0.886 1.00 0.00 O ATOM 53 CB LYS A 4 5.374 5.073 -2.049 1.00 0.00 C ATOM 54 CG LYS A 4 4.876 5.719 -3.359 1.00 0.00 C ATOM 55 CD LYS A 4 5.526 5.164 -4.642 1.00 0.00 C ATOM 56 CE LYS A 4 5.152 5.957 -5.912 1.00 0.00 C ATOM 57 NZ LYS A 4 5.706 5.320 -7.143 1.00 0.00 N ATOM 0 H LYS A 4 3.208 2.642 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 4 5.204 3.099 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.006 5.660 -1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.462 5.128 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.797 5.583 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.059 6.792 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.610 5.172 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.227 4.124 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.067 6.024 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.529 6.976 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.435 5.880 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.743 5.279 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.327 4.356 -7.236 1.00 0.00 H new ATOM 71 N LYS A 5 5.942 3.616 0.403 1.00 0.00 N ATOM 72 CA LYS A 5 6.675 3.151 1.569 1.00 0.00 C ATOM 73 C LYS A 5 5.920 3.687 2.771 1.00 0.00 C ATOM 74 O LYS A 5 6.493 4.307 3.668 1.00 0.00 O ATOM 75 CB LYS A 5 8.177 3.606 1.629 1.00 0.00 C ATOM 76 CG LYS A 5 9.041 3.078 0.466 1.00 0.00 C ATOM 77 CD LYS A 5 10.498 3.569 0.441 1.00 0.00 C ATOM 78 CE LYS A 5 11.387 2.964 1.539 1.00 0.00 C ATOM 79 NZ LYS A 5 12.809 3.348 1.357 1.00 0.00 N ATOM 0 H LYS A 5 5.581 4.563 0.522 1.00 0.00 H new ATOM 0 HA LYS A 5 6.726 2.063 1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.216 4.695 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.610 3.270 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.045 1.989 0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.565 3.361 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.931 3.335 -0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.505 4.654 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.040 3.300 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.297 1.878 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.383 2.924 2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.146 3.006 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.897 4.384 1.395 1.00 0.00 H new ATOM 93 N ALA A 6 4.584 3.434 2.814 1.00 0.00 N ATOM 94 CA ALA A 6 3.660 3.841 3.862 1.00 0.00 C ATOM 95 C ALA A 6 3.590 2.768 4.929 1.00 0.00 C ATOM 96 O ALA A 6 3.055 1.684 4.700 1.00 0.00 O ATOM 97 CB ALA A 6 2.241 4.095 3.292 1.00 0.00 C ATOM 0 H ALA A 6 4.117 2.913 2.072 1.00 0.00 H new ATOM 0 HA ALA A 6 4.029 4.771 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.574 4.397 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.286 4.885 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.864 3.181 2.833 1.00 0.00 H new ATOM 103 N LYS A 7 4.197 3.068 6.109 1.00 0.00 N ATOM 104 CA LYS A 7 4.481 2.147 7.196 1.00 0.00 C ATOM 105 C LYS A 7 3.496 2.238 8.340 1.00 0.00 C ATOM 106 O LYS A 7 3.621 1.507 9.314 1.00 0.00 O ATOM 107 CB LYS A 7 5.920 2.369 7.786 1.00 0.00 C ATOM 108 CG LYS A 7 6.210 3.663 8.602 1.00 0.00 C ATOM 109 CD LYS A 7 6.547 4.952 7.834 1.00 0.00 C ATOM 110 CE LYS A 7 8.027 5.041 7.429 1.00 0.00 C ATOM 111 NZ LYS A 7 8.411 6.437 7.110 1.00 0.00 N ATOM 0 H LYS A 7 4.510 4.016 6.319 1.00 0.00 H new ATOM 0 HA LYS A 7 4.399 1.159 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.148 1.518 8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.625 2.339 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.338 3.866 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.040 3.451 9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.927 5.008 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.293 5.813 8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.652 4.665 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.209 4.404 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.415 6.468 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.829 6.785 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.258 7.038 7.945 1.00 0.00 H new ATOM 125 N GLN A 8 2.583 3.225 8.310 1.00 0.00 N ATOM 126 CA GLN A 8 1.893 3.733 9.467 1.00 0.00 C ATOM 127 C GLN A 8 1.024 4.712 8.735 1.00 0.00 C ATOM 128 O GLN A 8 1.047 4.711 7.500 1.00 0.00 O ATOM 129 CB GLN A 8 2.843 4.459 10.492 1.00 0.00 C ATOM 130 CG GLN A 8 2.294 4.673 11.921 1.00 0.00 C ATOM 131 CD GLN A 8 2.959 3.721 12.913 1.00 0.00 C ATOM 132 OE1 GLN A 8 2.393 2.688 13.262 1.00 0.00 O ATOM 133 NE2 GLN A 8 4.189 4.054 13.383 1.00 0.00 N ATOM 0 H GLN A 8 2.310 3.692 7.445 1.00 0.00 H new ATOM 0 HA GLN A 8 1.401 2.989 10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.766 3.884 10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.106 5.433 10.080 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.467 5.704 12.230 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.216 4.515 11.927 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.635 4.918 13.076 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.666 3.440 14.043 1.00 0.00 H new ATOM 142 N ALA A 9 0.326 5.630 9.445 1.00 0.00 N ATOM 143 CA ALA A 9 -0.325 6.790 8.870 1.00 0.00 C ATOM 144 C ALA A 9 0.573 7.985 9.114 1.00 0.00 C ATOM 145 O ALA A 9 1.736 7.854 9.499 1.00 0.00 O ATOM 146 CB ALA A 9 -1.731 7.032 9.483 1.00 0.00 C ATOM 0 H ALA A 9 0.208 5.566 10.456 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.478 6.628 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.182 7.911 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.362 6.162 9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.637 7.193 10.557 1.00 0.00 H new ATOM 152 N SER A 10 0.034 9.204 8.923 1.00 0.00 N ATOM 153 CA SER A 10 0.779 10.460 8.868 1.00 0.00 C ATOM 154 C SER A 10 0.785 11.169 10.204 1.00 0.00 C ATOM 155 O SER A 10 0.711 12.390 10.268 1.00 0.00 O ATOM 156 CB SER A 10 0.249 11.417 7.761 1.00 0.00 C ATOM 157 OG SER A 10 0.205 10.738 6.508 1.00 0.00 O ATOM 0 H SER A 10 -0.970 9.338 8.799 1.00 0.00 H new ATOM 0 HA SER A 10 1.804 10.189 8.614 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.746 11.775 8.025 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.894 12.293 7.687 1.00 0.00 H new ATOM 0 HG SER A 10 -0.131 11.347 5.818 1.00 0.00 H new ATOM 163 N GLN A 11 0.950 10.347 11.278 1.00 0.00 N ATOM 164 CA GLN A 11 1.050 10.654 12.699 1.00 0.00 C ATOM 165 C GLN A 11 2.502 10.913 13.067 1.00 0.00 C ATOM 166 O GLN A 11 2.842 11.767 13.886 1.00 0.00 O ATOM 167 CB GLN A 11 0.535 9.436 13.539 1.00 0.00 C ATOM 168 CG GLN A 11 1.067 8.047 13.078 1.00 0.00 C ATOM 169 CD GLN A 11 0.683 6.933 14.040 1.00 0.00 C ATOM 170 OE1 GLN A 11 -0.115 6.080 13.667 1.00 0.00 O ATOM 171 NE2 GLN A 11 1.276 6.897 15.257 1.00 0.00 N ATOM 0 H GLN A 11 1.022 9.340 11.130 1.00 0.00 H new ATOM 0 HA GLN A 11 0.448 11.537 12.912 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.815 9.588 14.581 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.554 9.422 13.501 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.673 7.820 12.087 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.152 8.088 12.988 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.934 7.629 15.525 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.064 6.138 15.905 1.00 0.00 H new ATOM 180 N ASP A 12 3.414 10.192 12.353 1.00 0.00 N ATOM 181 CA ASP A 12 4.858 10.144 12.541 1.00 0.00 C ATOM 182 C ASP A 12 5.513 11.175 11.654 1.00 0.00 C ATOM 183 O ASP A 12 6.733 11.265 11.554 1.00 0.00 O ATOM 184 CB ASP A 12 5.453 8.746 12.172 1.00 0.00 C ATOM 185 CG ASP A 12 5.099 7.679 13.209 1.00 0.00 C ATOM 186 OD1 ASP A 12 4.833 8.049 14.383 1.00 0.00 O ATOM 187 OD2 ASP A 12 5.089 6.479 12.826 1.00 0.00 O ATOM 0 H ASP A 12 3.118 9.594 11.582 1.00 0.00 H new ATOM 0 HA ASP A 12 5.053 10.341 13.595 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.079 8.440 11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.537 8.824 12.088 1.00 0.00 H new ATOM 192 N ALA A 13 4.665 12.011 11.014 1.00 0.00 N ATOM 193 CA ALA A 13 5.010 13.207 10.285 1.00 0.00 C ATOM 194 C ALA A 13 4.358 14.391 10.967 1.00 0.00 C ATOM 195 O ALA A 13 4.669 15.527 10.629 1.00 0.00 O ATOM 196 CB ALA A 13 4.580 13.151 8.793 1.00 0.00 C ATOM 0 H ALA A 13 3.660 11.838 11.005 1.00 0.00 H new ATOM 0 HA ALA A 13 6.096 13.302 10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.866 14.078 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.072 12.311 8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.499 13.025 8.730 1.00 0.00 H new ATOM 202 N GLU A 14 3.444 14.168 11.964 1.00 0.00 N ATOM 203 CA GLU A 14 2.859 15.232 12.789 1.00 0.00 C ATOM 204 C GLU A 14 3.708 15.437 14.022 1.00 0.00 C ATOM 205 O GLU A 14 3.934 16.559 14.463 1.00 0.00 O ATOM 206 CB GLU A 14 1.397 14.979 13.260 1.00 0.00 C ATOM 207 CG GLU A 14 0.309 15.166 12.179 1.00 0.00 C ATOM 208 CD GLU A 14 -1.040 14.855 12.823 1.00 0.00 C ATOM 209 OE1 GLU A 14 -1.062 13.831 13.559 1.00 0.00 O ATOM 210 OE2 GLU A 14 -2.012 15.636 12.641 1.00 0.00 O ATOM 0 H GLU A 14 3.104 13.237 12.204 1.00 0.00 H new ATOM 0 HA GLU A 14 2.834 16.108 12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.329 13.962 13.647 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.179 15.651 14.090 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.323 16.186 11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.492 14.503 11.333 1.00 0.00 H new ATOM 217 N GLN A 15 4.217 14.325 14.616 1.00 0.00 N ATOM 218 CA GLN A 15 4.974 14.307 15.854 1.00 0.00 C ATOM 219 C GLN A 15 6.400 14.794 15.641 1.00 0.00 C ATOM 220 O GLN A 15 6.901 15.661 16.353 1.00 0.00 O ATOM 221 CB GLN A 15 4.946 12.873 16.446 1.00 0.00 C ATOM 222 CG GLN A 15 5.166 12.797 17.962 1.00 0.00 C ATOM 223 CD GLN A 15 6.632 13.000 18.290 1.00 0.00 C ATOM 224 OE1 GLN A 15 7.493 12.576 17.523 1.00 0.00 O ATOM 225 NE2 GLN A 15 6.909 13.725 19.396 1.00 0.00 N ATOM 0 H GLN A 15 4.096 13.395 14.216 1.00 0.00 H new ATOM 0 HA GLN A 15 4.513 14.994 16.564 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.985 12.416 16.209 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.713 12.276 15.952 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.566 13.557 18.462 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.833 11.829 18.337 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.151 14.050 19.996 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.876 13.947 19.631 1.00 0.00 H new ATOM 234 N ALA A 16 7.038 14.298 14.550 1.00 0.00 N ATOM 235 CA ALA A 16 8.399 14.632 14.139 1.00 0.00 C ATOM 236 C ALA A 16 8.453 15.905 13.300 1.00 0.00 C ATOM 237 O ALA A 16 9.500 16.317 12.803 1.00 0.00 O ATOM 238 CB ALA A 16 9.029 13.459 13.351 1.00 0.00 C ATOM 0 H ALA A 16 6.591 13.632 13.920 1.00 0.00 H new ATOM 0 HA ALA A 16 8.972 14.810 15.049 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.043 13.724 13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.057 12.571 13.982 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.431 13.254 12.463 1.00 0.00 H new ATOM 244 N ALA A 17 7.277 16.569 13.157 1.00 0.00 N ATOM 245 CA ALA A 17 7.095 17.964 12.784 1.00 0.00 C ATOM 246 C ALA A 17 7.036 18.873 13.997 1.00 0.00 C ATOM 247 O ALA A 17 7.269 20.073 13.875 1.00 0.00 O ATOM 248 CB ALA A 17 5.825 18.219 11.937 1.00 0.00 C ATOM 0 H ALA A 17 6.385 16.100 13.313 1.00 0.00 H new ATOM 0 HA ALA A 17 7.971 18.196 12.178 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.755 19.280 11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.881 17.641 11.015 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.944 17.916 12.502 1.00 0.00 H new ATOM 254 N LYS A 18 6.687 18.325 15.210 1.00 0.00 N ATOM 255 CA LYS A 18 6.273 19.091 16.383 1.00 0.00 C ATOM 256 C LYS A 18 7.474 19.488 17.210 1.00 0.00 C ATOM 257 O LYS A 18 7.545 20.597 17.736 1.00 0.00 O ATOM 258 CB LYS A 18 5.278 18.275 17.278 1.00 0.00 C ATOM 259 CG LYS A 18 4.613 19.008 18.463 1.00 0.00 C ATOM 260 CD LYS A 18 3.927 18.029 19.429 1.00 0.00 C ATOM 261 CE LYS A 18 3.435 18.684 20.731 1.00 0.00 C ATOM 262 NZ LYS A 18 2.762 17.674 21.585 1.00 0.00 N ATOM 0 H LYS A 18 6.694 17.319 15.376 1.00 0.00 H new ATOM 0 HA LYS A 18 5.766 19.986 16.022 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.487 17.890 16.635 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.814 17.413 17.675 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.365 19.583 19.002 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.879 19.719 18.084 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.079 17.567 18.923 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.624 17.229 19.677 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.276 19.123 21.267 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.745 19.496 20.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.433 18.125 22.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.949 17.275 21.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.432 16.914 21.817 1.00 0.00 H new ATOM 276 N ASP A 19 8.503 18.600 17.290 1.00 0.00 N ATOM 277 CA ASP A 19 9.693 18.679 18.150 1.00 0.00 C ATOM 278 C ASP A 19 10.815 19.432 17.472 1.00 0.00 C ATOM 279 O ASP A 19 11.993 19.298 17.795 1.00 0.00 O ATOM 280 CB ASP A 19 10.222 17.306 18.662 1.00 0.00 C ATOM 281 CG ASP A 19 9.167 16.637 19.531 1.00 0.00 C ATOM 282 OD1 ASP A 19 8.755 17.244 20.561 1.00 0.00 O ATOM 283 OD2 ASP A 19 8.743 15.511 19.176 1.00 0.00 O ATOM 0 H ASP A 19 8.513 17.759 16.713 1.00 0.00 H new ATOM 0 HA ASP A 19 9.353 19.225 19.030 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.470 16.664 17.817 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.139 17.450 19.234 1.00 0.00 H new ATOM 288 N ALA A 20 10.409 20.328 16.548 1.00 0.00 N ATOM 289 CA ALA A 20 11.111 21.483 16.054 1.00 0.00 C ATOM 290 C ALA A 20 10.756 22.687 16.912 1.00 0.00 C ATOM 291 O ALA A 20 11.637 23.376 17.414 1.00 0.00 O ATOM 292 CB ALA A 20 10.743 21.784 14.574 1.00 0.00 C ATOM 0 H ALA A 20 9.496 20.233 16.102 1.00 0.00 H new ATOM 0 HA ALA A 20 12.181 21.279 16.104 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.292 22.662 14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.007 20.928 13.952 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.672 21.972 14.496 1.00 0.00 H new ATOM 298 N GLU A 21 9.434 22.966 17.096 1.00 0.00 N ATOM 299 CA GLU A 21 8.868 24.193 17.670 1.00 0.00 C ATOM 300 C GLU A 21 8.712 24.047 19.167 1.00 0.00 C ATOM 301 O GLU A 21 8.913 24.961 19.970 1.00 0.00 O ATOM 302 CB GLU A 21 7.468 24.499 17.064 1.00 0.00 C ATOM 303 CG GLU A 21 7.461 24.695 15.535 1.00 0.00 C ATOM 304 CD GLU A 21 6.004 24.806 15.093 1.00 0.00 C ATOM 305 OE1 GLU A 21 5.409 23.707 14.956 1.00 0.00 O ATOM 306 OE2 GLU A 21 5.474 25.936 14.943 1.00 0.00 O ATOM 0 H GLU A 21 8.709 22.299 16.830 1.00 0.00 H new ATOM 0 HA GLU A 21 9.553 25.009 17.438 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.791 23.683 17.316 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.071 25.399 17.535 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.014 25.593 15.261 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.949 23.856 15.039 1.00 0.00 H new ATOM 313 N ASN A 22 8.391 22.784 19.552 1.00 0.00 N ATOM 314 CA ASN A 22 8.170 22.240 20.888 1.00 0.00 C ATOM 315 C ASN A 22 9.470 22.149 21.680 1.00 0.00 C ATOM 316 O ASN A 22 9.476 22.218 22.904 1.00 0.00 O ATOM 317 CB ASN A 22 7.467 20.855 20.729 1.00 0.00 C ATOM 318 CG ASN A 22 7.028 20.137 21.995 1.00 0.00 C ATOM 319 OD1 ASN A 22 6.313 20.753 22.781 1.00 0.00 O ATOM 320 ND2 ASN A 22 7.408 18.847 22.197 1.00 0.00 N ATOM 0 H ASN A 22 8.272 22.057 18.847 1.00 0.00 H new ATOM 0 HA ASN A 22 7.528 22.905 21.465 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.587 20.995 20.101 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.144 20.195 20.187 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.098 18.349 23.031 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.003 18.378 21.514 1.00 0.00 H new ATOM 327 N ALA A 23 10.623 22.125 20.954 1.00 0.00 N ATOM 328 CA ALA A 23 11.975 21.998 21.494 1.00 0.00 C ATOM 329 C ALA A 23 12.509 23.289 22.097 1.00 0.00 C ATOM 330 O ALA A 23 13.380 23.280 22.964 1.00 0.00 O ATOM 331 CB ALA A 23 12.971 21.536 20.401 1.00 0.00 C ATOM 0 H ALA A 23 10.617 22.198 19.937 1.00 0.00 H new ATOM 0 HA ALA A 23 11.895 21.254 22.287 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.969 21.450 20.831 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.659 20.567 20.011 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.987 22.265 19.591 1.00 0.00 H new ATOM 337 N SER A 24 11.979 24.453 21.636 1.00 0.00 N ATOM 338 CA SER A 24 12.195 25.780 22.210 1.00 0.00 C ATOM 339 C SER A 24 11.141 26.115 23.251 1.00 0.00 C ATOM 340 O SER A 24 11.365 26.929 24.145 1.00 0.00 O ATOM 341 CB SER A 24 12.225 26.904 21.134 1.00 0.00 C ATOM 342 OG SER A 24 13.290 26.682 20.219 1.00 0.00 O ATOM 0 H SER A 24 11.367 24.478 20.821 1.00 0.00 H new ATOM 0 HA SER A 24 13.175 25.738 22.685 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.276 26.930 20.599 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.346 27.874 21.615 1.00 0.00 H new ATOM 0 HG SER A 24 13.297 27.395 19.546 1.00 0.00 H new ATOM 348 N LYS A 25 9.953 25.441 23.171 1.00 0.00 N ATOM 349 CA LYS A 25 8.805 25.607 24.061 1.00 0.00 C ATOM 350 C LYS A 25 9.016 24.858 25.369 1.00 0.00 C ATOM 351 O LYS A 25 8.608 25.307 26.439 1.00 0.00 O ATOM 352 CB LYS A 25 7.479 25.142 23.372 1.00 0.00 C ATOM 353 CG LYS A 25 6.180 25.757 23.926 1.00 0.00 C ATOM 354 CD LYS A 25 6.054 27.249 23.599 1.00 0.00 C ATOM 355 CE LYS A 25 5.023 28.014 24.457 1.00 0.00 C ATOM 356 NZ LYS A 25 5.226 29.486 24.351 1.00 0.00 N ATOM 0 H LYS A 25 9.783 24.743 22.447 1.00 0.00 H new ATOM 0 HA LYS A 25 8.715 26.670 24.284 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.544 25.375 22.309 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.409 24.058 23.457 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.324 25.224 23.513 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.149 25.621 25.007 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.030 27.718 23.725 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.782 27.355 22.549 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.014 27.758 24.133 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.111 27.705 25.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.993 29.935 25.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.219 29.683 24.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.608 29.869 23.607 1.00 0.00 H new ATOM 370 N GLU A 26 9.796 23.737 25.279 1.00 0.00 N ATOM 371 CA GLU A 26 10.400 22.948 26.351 1.00 0.00 C ATOM 372 C GLU A 26 11.360 23.744 27.230 1.00 0.00 C ATOM 373 O GLU A 26 11.396 23.601 28.448 1.00 0.00 O ATOM 374 CB GLU A 26 11.199 21.754 25.722 1.00 0.00 C ATOM 375 CG GLU A 26 11.524 20.551 26.640 1.00 0.00 C ATOM 376 CD GLU A 26 10.249 19.804 27.001 1.00 0.00 C ATOM 377 OE1 GLU A 26 9.476 19.498 26.057 1.00 0.00 O ATOM 378 OE2 GLU A 26 10.030 19.545 28.213 1.00 0.00 O ATOM 0 H GLU A 26 10.026 23.345 24.366 1.00 0.00 H new ATOM 0 HA GLU A 26 9.579 22.608 26.983 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.632 21.382 24.868 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.140 22.145 25.334 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.218 19.878 26.137 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.019 20.900 27.547 1.00 0.00 H new ATOM 385 N ALA A 27 12.154 24.647 26.589 1.00 0.00 N ATOM 386 CA ALA A 27 13.129 25.518 27.226 1.00 0.00 C ATOM 387 C ALA A 27 12.571 26.873 27.646 1.00 0.00 C ATOM 388 O ALA A 27 13.333 27.737 28.073 1.00 0.00 O ATOM 389 CB ALA A 27 14.383 25.721 26.335 1.00 0.00 C ATOM 0 H ALA A 27 12.115 24.777 25.578 1.00 0.00 H new ATOM 0 HA ALA A 27 13.412 24.996 28.140 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.089 26.377 26.844 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.855 24.757 26.146 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.087 26.172 25.388 1.00 0.00 H new ATOM 395 N GLU A 28 11.225 27.089 27.548 1.00 0.00 N ATOM 396 CA GLU A 28 10.569 28.361 27.886 1.00 0.00 C ATOM 397 C GLU A 28 10.154 28.460 29.358 1.00 0.00 C ATOM 398 O GLU A 28 10.023 29.563 29.880 1.00 0.00 O ATOM 399 CB GLU A 28 9.369 28.676 26.929 1.00 0.00 C ATOM 400 CG GLU A 28 8.701 30.081 27.046 1.00 0.00 C ATOM 401 CD GLU A 28 7.638 30.303 25.971 1.00 0.00 C ATOM 402 OE1 GLU A 28 7.726 29.648 24.901 1.00 0.00 O ATOM 403 OE2 GLU A 28 6.661 31.071 26.148 1.00 0.00 O ATOM 0 H GLU A 28 10.573 26.372 27.229 1.00 0.00 H new ATOM 0 HA GLU A 28 11.326 29.130 27.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.716 28.554 25.903 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.599 27.923 27.097 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.247 30.185 28.031 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.466 30.853 26.964 1.00 0.00 H new ATOM 410 N GLU A 29 9.982 27.310 30.072 1.00 0.00 N ATOM 411 CA GLU A 29 9.572 27.207 31.478 1.00 0.00 C ATOM 412 C GLU A 29 10.795 27.206 32.396 1.00 0.00 C ATOM 413 O GLU A 29 10.838 27.821 33.465 1.00 0.00 O ATOM 414 CB GLU A 29 8.704 25.927 31.705 1.00 0.00 C ATOM 415 CG GLU A 29 7.944 25.835 33.052 1.00 0.00 C ATOM 416 CD GLU A 29 6.854 26.902 33.145 1.00 0.00 C ATOM 417 OE1 GLU A 29 5.833 26.783 32.412 1.00 0.00 O ATOM 418 OE2 GLU A 29 7.033 27.860 33.944 1.00 0.00 O ATOM 0 H GLU A 29 10.136 26.394 29.650 1.00 0.00 H new ATOM 0 HA GLU A 29 8.964 28.077 31.724 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.975 25.862 30.897 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.353 25.055 31.620 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.498 24.846 33.154 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.646 25.955 33.877 1.00 0.00 H new ATOM 425 N ALA A 30 11.906 26.569 31.923 1.00 0.00 N ATOM 426 CA ALA A 30 13.210 26.461 32.586 1.00 0.00 C ATOM 427 C ALA A 30 13.986 27.776 32.605 1.00 0.00 C ATOM 428 O ALA A 30 14.920 27.961 33.379 1.00 0.00 O ATOM 429 CB ALA A 30 14.101 25.378 31.918 1.00 0.00 C ATOM 0 H ALA A 30 11.899 26.097 31.019 1.00 0.00 H new ATOM 0 HA ALA A 30 12.982 26.180 33.614 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.059 25.326 32.435 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.603 24.410 31.977 1.00 0.00 H new ATOM 0 HB3 ALA A 30 14.267 25.637 30.872 1.00 0.00 H new ATOM 435 N ALA A 31 13.497 28.745 31.783 1.00 0.00 N ATOM 436 CA ALA A 31 13.903 30.141 31.713 1.00 0.00 C ATOM 437 C ALA A 31 13.253 30.996 32.791 1.00 0.00 C ATOM 438 O ALA A 31 13.467 32.205 32.827 1.00 0.00 O ATOM 439 CB ALA A 31 13.583 30.760 30.327 1.00 0.00 C ATOM 0 H ALA A 31 12.757 28.537 31.112 1.00 0.00 H new ATOM 0 HA ALA A 31 14.981 30.139 31.875 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.900 31.803 30.312 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.114 30.208 29.551 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.510 30.704 30.143 1.00 0.00 H new ATOM 445 N LYS A 32 12.414 30.372 33.661 1.00 0.00 N ATOM 446 CA LYS A 32 11.627 31.025 34.690 1.00 0.00 C ATOM 447 C LYS A 32 11.672 30.271 36.005 1.00 0.00 C ATOM 448 O LYS A 32 11.716 30.944 37.032 1.00 0.00 O ATOM 449 CB LYS A 32 10.110 31.165 34.305 1.00 0.00 C ATOM 450 CG LYS A 32 9.782 31.953 33.021 1.00 0.00 C ATOM 451 CD LYS A 32 9.873 33.483 33.152 1.00 0.00 C ATOM 452 CE LYS A 32 9.417 34.182 31.857 1.00 0.00 C ATOM 453 NZ LYS A 32 9.408 35.660 31.980 1.00 0.00 N ATOM 0 H LYS A 32 12.277 29.361 33.647 1.00 0.00 H new ATOM 0 HA LYS A 32 12.079 32.012 34.790 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.693 30.163 34.203 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.592 31.643 35.137 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.462 31.631 32.232 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.774 31.691 32.700 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.255 33.817 33.985 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.899 33.770 33.381 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.078 33.893 31.040 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.417 33.837 31.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.094 36.081 31.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.757 35.941 32.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.367 35.996 32.203 1.00 0.00 H new ATOM 467 N GLU A 33 11.650 28.885 36.042 1.00 0.00 N ATOM 468 CA GLU A 33 11.550 28.032 37.262 1.00 0.00 C ATOM 469 C GLU A 33 12.648 28.274 38.293 1.00 0.00 C ATOM 470 O GLU A 33 12.437 28.264 39.505 1.00 0.00 O ATOM 471 CB GLU A 33 11.671 26.478 37.020 1.00 0.00 C ATOM 472 CG GLU A 33 10.576 25.746 36.211 1.00 0.00 C ATOM 473 CD GLU A 33 10.877 24.236 36.264 1.00 0.00 C ATOM 474 OE1 GLU A 33 12.096 23.904 36.292 1.00 0.00 O ATOM 475 OE2 GLU A 33 9.917 23.418 36.318 1.00 0.00 O ATOM 0 H GLU A 33 11.704 28.329 35.189 1.00 0.00 H new ATOM 0 HA GLU A 33 10.557 28.325 37.602 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.622 26.299 36.519 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.730 25.999 37.997 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.591 25.953 36.628 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.565 26.097 35.179 1.00 0.00 H new ATOM 482 N ALA A 34 13.869 28.467 37.742 1.00 0.00 N ATOM 483 CA ALA A 34 15.071 28.910 38.423 1.00 0.00 C ATOM 484 C ALA A 34 15.180 30.424 38.366 1.00 0.00 C ATOM 485 O ALA A 34 14.761 31.117 39.289 1.00 0.00 O ATOM 486 CB ALA A 34 16.346 28.224 37.859 1.00 0.00 C ATOM 0 H ALA A 34 14.033 28.303 36.749 1.00 0.00 H new ATOM 0 HA ALA A 34 14.994 28.610 39.468 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.222 28.585 38.398 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.263 27.144 37.983 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.448 28.461 36.800 1.00 0.00 H new ATOM 492 N VAL A 35 15.753 30.934 37.242 1.00 0.00 N ATOM 493 CA VAL A 35 15.932 32.339 36.894 1.00 0.00 C ATOM 494 C VAL A 35 16.389 32.396 35.441 1.00 0.00 C ATOM 495 O VAL A 35 15.993 33.302 34.716 1.00 0.00 O ATOM 496 CB VAL A 35 16.924 33.189 37.728 1.00 0.00 C ATOM 497 CG1 VAL A 35 16.258 33.832 38.969 1.00 0.00 C ATOM 498 CG2 VAL A 35 18.187 32.380 38.085 1.00 0.00 C ATOM 0 H VAL A 35 16.121 30.318 36.517 1.00 0.00 H new ATOM 0 HA VAL A 35 14.961 32.788 37.104 1.00 0.00 H new ATOM 0 HB VAL A 35 17.242 34.022 37.101 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.997 34.416 39.517 1.00 0.00 H new ATOM 0 HG12 VAL A 35 15.445 34.484 38.649 1.00 0.00 H new ATOM 0 HG13 VAL A 35 15.862 33.049 39.616 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.864 33.002 38.670 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.905 31.503 38.668 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.686 32.062 37.170 1.00 0.00 H new ATOM 508 N ASN A 36 17.292 31.482 35.002 1.00 0.00 N ATOM 509 CA ASN A 36 17.961 31.586 33.720 1.00 0.00 C ATOM 510 C ASN A 36 17.954 30.198 33.150 1.00 0.00 C ATOM 511 O ASN A 36 17.090 29.862 32.354 1.00 0.00 O ATOM 512 CB ASN A 36 19.394 32.228 33.856 1.00 0.00 C ATOM 513 CG ASN A 36 20.317 32.060 32.638 1.00 0.00 C ATOM 514 OD1 ASN A 36 21.328 31.383 32.798 1.00 0.00 O ATOM 515 ND2 ASN A 36 19.948 32.554 31.440 1.00 0.00 N ATOM 0 H ASN A 36 17.563 30.660 35.541 1.00 0.00 H new ATOM 0 HA ASN A 36 17.450 32.266 33.039 1.00 0.00 H new ATOM 0 HB2 ASN A 36 19.277 33.293 34.057 1.00 0.00 H new ATOM 0 HB3 ASN A 36 19.887 31.792 34.725 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.519 32.370 30.615 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.098 33.112 31.358 1.00 0.00 H new ATOM 522 N LEU A 37 18.979 29.361 33.484 1.00 0.00 N ATOM 523 CA LEU A 37 19.150 27.976 33.035 1.00 0.00 C ATOM 524 C LEU A 37 19.368 27.849 31.527 1.00 0.00 C ATOM 525 O LEU A 37 18.930 26.876 30.915 1.00 0.00 O ATOM 526 CB LEU A 37 17.998 27.025 33.532 1.00 0.00 C ATOM 527 CG LEU A 37 18.383 25.938 34.557 1.00 0.00 C ATOM 528 CD1 LEU A 37 17.094 25.241 35.034 1.00 0.00 C ATOM 529 CD2 LEU A 37 19.411 24.924 34.006 1.00 0.00 C ATOM 0 H LEU A 37 19.733 29.661 34.101 1.00 0.00 H new ATOM 0 HA LEU A 37 20.071 27.640 33.511 1.00 0.00 H new ATOM 0 HB2 LEU A 37 17.214 27.642 33.971 1.00 0.00 H new ATOM 0 HB3 LEU A 37 17.566 26.532 32.661 1.00 0.00 H new ATOM 0 HG LEU A 37 18.882 26.417 35.400 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.346 24.468 35.760 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.434 25.974 35.498 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.589 24.787 34.181 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.641 24.185 34.774 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.995 24.422 33.133 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.323 25.449 33.722 1.00 0.00 H new ATOM 541 N LYS A 38 19.971 28.884 30.895 1.00 0.00 N ATOM 542 CA LYS A 38 19.957 28.993 29.458 1.00 0.00 C ATOM 543 C LYS A 38 21.088 29.943 29.063 1.00 0.00 C ATOM 544 O LYS A 38 21.106 31.094 29.578 1.00 0.00 O ATOM 545 CB LYS A 38 18.632 29.603 28.930 1.00 0.00 C ATOM 546 CG LYS A 38 18.515 29.633 27.403 1.00 0.00 C ATOM 547 CD LYS A 38 17.559 30.720 26.931 1.00 0.00 C ATOM 548 CE LYS A 38 17.420 30.767 25.405 1.00 0.00 C ATOM 549 NZ LYS A 38 16.702 31.996 25.006 1.00 0.00 N ATOM 550 OXT LYS A 38 21.903 29.562 28.179 1.00 0.00 O ATOM 0 H LYS A 38 20.464 29.638 31.373 1.00 0.00 H new ATOM 0 HA LYS A 38 20.068 27.995 29.034 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.796 29.033 29.335 1.00 0.00 H new ATOM 0 HB3 LYS A 38 18.538 30.620 29.310 1.00 0.00 H new ATOM 0 HG2 LYS A 38 19.500 29.800 26.966 1.00 0.00 H new ATOM 0 HG3 LYS A 38 18.168 28.663 27.046 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.578 30.553 27.376 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.911 31.688 27.289 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.405 30.743 24.940 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.880 29.888 25.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.610 32.024 23.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.756 32.001 25.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.234 32.829 25.329 1.00 0.00 H new TER 564 LYS A 38