USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=9 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+ 147:sc= 1.16 (180deg=0.785) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 1.27 (180deg=0.804) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0.751 (180deg=0.566) USER MOD Single : A 8 GLN : amide:sc= 0.201 K(o=0.2,f=-7.6!) USER MOD Single : A 10 SER OG : rot 180:sc=-0.00433 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ -132:sc= 1.07 (180deg=-1.21!) USER MOD Single : A 22 ASN : amide:sc= 1.23 K(o=1.2,f=-0.25) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 2.09 (180deg=1.93) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.81) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.059 0.290 9.556 1.00 0.00 N ATOM 2 CA GLU A 1 0.292 -0.548 8.359 1.00 0.00 C ATOM 3 C GLU A 1 -0.521 -1.804 8.334 1.00 0.00 C ATOM 4 O GLU A 1 -1.260 -2.022 7.383 1.00 0.00 O ATOM 5 CB GLU A 1 1.818 -0.829 8.194 1.00 0.00 C ATOM 6 CG GLU A 1 2.538 0.307 7.435 1.00 0.00 C ATOM 7 CD GLU A 1 2.590 1.626 8.181 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.158 1.696 9.368 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.125 2.618 7.617 1.00 0.00 O ATOM 0 H1 GLU A 1 0.940 0.778 9.815 1.00 0.00 H new ATOM 0 H2 GLU A 1 -0.678 0.994 9.349 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.249 -0.312 10.346 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.056 0.021 7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.272 -0.952 9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.958 -1.768 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.557 -0.010 7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.037 0.464 6.480 1.00 0.00 H new ATOM 18 N ALA A 2 -0.415 -2.693 9.363 1.00 0.00 N ATOM 19 CA ALA A 2 -1.162 -3.951 9.450 1.00 0.00 C ATOM 20 C ALA A 2 -2.606 -3.795 9.914 1.00 0.00 C ATOM 21 O ALA A 2 -3.441 -4.649 9.634 1.00 0.00 O ATOM 22 CB ALA A 2 -0.452 -4.975 10.374 1.00 0.00 C ATOM 0 H ALA A 2 0.204 -2.540 10.159 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.187 -4.318 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.035 -5.895 10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.541 -5.192 9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.362 -4.559 11.377 1.00 0.00 H new ATOM 28 N TYR A 3 -2.945 -2.690 10.618 1.00 0.00 N ATOM 29 CA TYR A 3 -4.307 -2.413 11.007 1.00 0.00 C ATOM 30 C TYR A 3 -4.206 -0.942 11.272 1.00 0.00 C ATOM 31 O TYR A 3 -3.088 -0.425 11.296 1.00 0.00 O ATOM 32 CB TYR A 3 -4.834 -3.205 12.264 1.00 0.00 C ATOM 33 CG TYR A 3 -6.266 -3.629 12.030 1.00 0.00 C ATOM 34 CD1 TYR A 3 -6.552 -4.737 11.204 1.00 0.00 C ATOM 35 CD2 TYR A 3 -7.344 -2.920 12.594 1.00 0.00 C ATOM 36 CE1 TYR A 3 -7.875 -5.108 10.922 1.00 0.00 C ATOM 37 CE2 TYR A 3 -8.670 -3.281 12.308 1.00 0.00 C ATOM 38 CZ TYR A 3 -8.938 -4.371 11.469 1.00 0.00 C ATOM 39 OH TYR A 3 -10.279 -4.701 11.166 1.00 0.00 O ATOM 0 H TYR A 3 -2.273 -1.984 10.920 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.031 -2.721 10.253 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.209 -4.080 12.444 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.770 -2.579 13.154 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.739 -5.309 10.782 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.148 -2.088 13.255 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.076 -5.958 10.286 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -9.486 -2.717 12.736 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.881 -4.085 11.634 1.00 0.00 H new ATOM 49 N LYS A 4 -5.381 -0.264 11.425 1.00 0.00 N ATOM 50 CA LYS A 4 -5.586 1.165 11.675 1.00 0.00 C ATOM 51 C LYS A 4 -5.538 2.015 10.410 1.00 0.00 C ATOM 52 O LYS A 4 -5.498 3.241 10.456 1.00 0.00 O ATOM 53 CB LYS A 4 -4.769 1.763 12.868 1.00 0.00 C ATOM 54 CG LYS A 4 -5.168 1.150 14.229 1.00 0.00 C ATOM 55 CD LYS A 4 -6.139 2.022 15.044 1.00 0.00 C ATOM 56 CE LYS A 4 -5.437 2.856 16.138 1.00 0.00 C ATOM 57 NZ LYS A 4 -5.907 4.264 16.164 1.00 0.00 N ATOM 0 H LYS A 4 -6.272 -0.758 11.369 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.616 1.218 12.028 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.706 1.595 12.696 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.920 2.842 12.902 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.626 0.176 14.057 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.267 0.979 14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.668 2.694 14.368 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.889 1.382 15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.615 2.398 17.111 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.360 2.838 15.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.624 4.708 17.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.483 4.786 15.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.943 4.286 16.078 1.00 0.00 H new ATOM 71 N LYS A 5 -5.592 1.344 9.224 1.00 0.00 N ATOM 72 CA LYS A 5 -5.706 1.878 7.865 1.00 0.00 C ATOM 73 C LYS A 5 -4.376 2.383 7.343 1.00 0.00 C ATOM 74 O LYS A 5 -3.686 1.699 6.593 1.00 0.00 O ATOM 75 CB LYS A 5 -6.869 2.906 7.578 1.00 0.00 C ATOM 76 CG LYS A 5 -8.266 2.282 7.365 1.00 0.00 C ATOM 77 CD LYS A 5 -8.436 1.596 5.992 1.00 0.00 C ATOM 78 CE LYS A 5 -9.893 1.432 5.501 1.00 0.00 C ATOM 79 NZ LYS A 5 -10.706 0.621 6.439 1.00 0.00 N ATOM 0 H LYS A 5 -5.552 0.325 9.211 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.016 1.001 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.926 3.607 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.609 3.485 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.452 1.551 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.022 3.061 7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.884 2.171 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.975 0.610 6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.349 2.415 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.894 0.960 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.676 0.535 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.286 -0.326 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.727 1.084 7.370 1.00 0.00 H new ATOM 93 N ALA A 6 -4.028 3.640 7.714 1.00 0.00 N ATOM 94 CA ALA A 6 -2.766 4.280 7.381 1.00 0.00 C ATOM 95 C ALA A 6 -1.758 4.031 8.483 1.00 0.00 C ATOM 96 O ALA A 6 -1.197 2.940 8.634 1.00 0.00 O ATOM 97 CB ALA A 6 -2.954 5.797 7.090 1.00 0.00 C ATOM 0 H ALA A 6 -4.644 4.237 8.266 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.380 3.838 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.990 6.243 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.637 5.924 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.367 6.288 7.971 1.00 0.00 H new ATOM 103 N LYS A 7 -1.560 5.082 9.320 1.00 0.00 N ATOM 104 CA LYS A 7 -0.765 5.087 10.524 1.00 0.00 C ATOM 105 C LYS A 7 -1.747 4.958 11.658 1.00 0.00 C ATOM 106 O LYS A 7 -2.953 5.002 11.431 1.00 0.00 O ATOM 107 CB LYS A 7 0.117 6.374 10.611 1.00 0.00 C ATOM 108 CG LYS A 7 1.595 6.123 10.931 1.00 0.00 C ATOM 109 CD LYS A 7 2.293 5.183 9.940 1.00 0.00 C ATOM 110 CE LYS A 7 3.726 4.840 10.371 1.00 0.00 C ATOM 111 NZ LYS A 7 4.163 3.566 9.759 1.00 0.00 N ATOM 0 H LYS A 7 -1.987 5.991 9.140 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.050 4.265 10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.051 6.907 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.299 7.031 11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.121 7.077 10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.674 5.702 11.933 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.715 4.264 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.314 5.649 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.402 5.642 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.777 4.764 11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.151 3.376 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.559 2.791 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.086 3.634 8.724 1.00 0.00 H new ATOM 125 N GLN A 8 -1.264 4.740 12.901 1.00 0.00 N ATOM 126 CA GLN A 8 -2.032 4.366 14.074 1.00 0.00 C ATOM 127 C GLN A 8 -2.987 5.440 14.584 1.00 0.00 C ATOM 128 O GLN A 8 -4.195 5.310 14.400 1.00 0.00 O ATOM 129 CB GLN A 8 -1.113 3.837 15.218 1.00 0.00 C ATOM 130 CG GLN A 8 0.241 4.574 15.385 1.00 0.00 C ATOM 131 CD GLN A 8 1.322 3.879 14.541 1.00 0.00 C ATOM 132 OE1 GLN A 8 1.165 3.664 13.337 1.00 0.00 O ATOM 133 NE2 GLN A 8 2.456 3.496 15.168 1.00 0.00 N ATOM 0 H GLN A 8 -0.269 4.830 13.107 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.674 3.553 13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.660 3.902 16.159 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.912 2.781 15.039 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.139 5.614 15.076 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.535 4.580 16.435 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.575 3.679 16.164 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.193 3.024 14.645 1.00 0.00 H new ATOM 142 N ALA A 9 -2.484 6.483 15.281 1.00 0.00 N ATOM 143 CA ALA A 9 -3.247 7.674 15.623 1.00 0.00 C ATOM 144 C ALA A 9 -2.873 8.802 14.687 1.00 0.00 C ATOM 145 O ALA A 9 -3.651 9.732 14.489 1.00 0.00 O ATOM 146 CB ALA A 9 -3.064 8.088 17.105 1.00 0.00 C ATOM 0 H ALA A 9 -1.522 6.508 15.620 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.305 7.443 15.501 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.654 8.982 17.309 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.398 7.278 17.753 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.012 8.296 17.297 1.00 0.00 H new ATOM 152 N SER A 10 -1.614 8.743 14.157 1.00 0.00 N ATOM 153 CA SER A 10 -0.923 9.710 13.315 1.00 0.00 C ATOM 154 C SER A 10 -0.409 10.940 14.027 1.00 0.00 C ATOM 155 O SER A 10 -0.204 11.983 13.409 1.00 0.00 O ATOM 156 CB SER A 10 -1.641 10.114 11.986 1.00 0.00 C ATOM 157 OG SER A 10 -1.961 8.958 11.211 1.00 0.00 O ATOM 0 H SER A 10 -1.021 7.933 14.339 1.00 0.00 H new ATOM 0 HA SER A 10 -0.058 9.115 13.024 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.551 10.668 12.213 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.999 10.779 11.408 1.00 0.00 H new ATOM 0 HG SER A 10 -2.411 9.232 10.385 1.00 0.00 H new ATOM 163 N GLN A 11 -0.137 10.795 15.354 1.00 0.00 N ATOM 164 CA GLN A 11 0.283 11.853 16.259 1.00 0.00 C ATOM 165 C GLN A 11 1.781 12.071 16.201 1.00 0.00 C ATOM 166 O GLN A 11 2.271 13.197 16.229 1.00 0.00 O ATOM 167 CB GLN A 11 -0.194 11.579 17.712 1.00 0.00 C ATOM 168 CG GLN A 11 0.263 10.271 18.401 1.00 0.00 C ATOM 169 CD GLN A 11 -0.157 10.304 19.892 1.00 0.00 C ATOM 170 OE1 GLN A 11 0.630 10.773 20.707 1.00 0.00 O ATOM 171 NE2 GLN A 11 -1.377 9.844 20.283 1.00 0.00 N ATOM 0 H GLN A 11 -0.214 9.892 15.822 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.194 12.775 15.926 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.134 12.413 18.332 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.284 11.591 17.712 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.184 9.410 17.904 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.344 10.161 18.318 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.021 9.457 19.593 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.647 9.887 21.266 1.00 0.00 H new ATOM 180 N ASP A 12 2.540 10.968 15.979 1.00 0.00 N ATOM 181 CA ASP A 12 3.995 10.878 15.868 1.00 0.00 C ATOM 182 C ASP A 12 4.470 11.305 14.497 1.00 0.00 C ATOM 183 O ASP A 12 5.655 11.514 14.252 1.00 0.00 O ATOM 184 CB ASP A 12 4.481 9.405 16.123 1.00 0.00 C ATOM 185 CG ASP A 12 5.084 9.291 17.518 1.00 0.00 C ATOM 186 OD1 ASP A 12 5.923 10.174 17.834 1.00 0.00 O ATOM 187 OD2 ASP A 12 4.722 8.338 18.262 1.00 0.00 O ATOM 0 H ASP A 12 2.103 10.053 15.866 1.00 0.00 H new ATOM 0 HA ASP A 12 4.414 11.546 16.621 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.644 8.714 16.022 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.220 9.122 15.374 1.00 0.00 H new ATOM 192 N ALA A 13 3.501 11.493 13.567 1.00 0.00 N ATOM 193 CA ALA A 13 3.721 11.918 12.200 1.00 0.00 C ATOM 194 C ALA A 13 3.572 13.413 12.094 1.00 0.00 C ATOM 195 O ALA A 13 4.077 14.018 11.155 1.00 0.00 O ATOM 196 CB ALA A 13 2.704 11.261 11.237 1.00 0.00 C ATOM 0 H ALA A 13 2.514 11.342 13.777 1.00 0.00 H new ATOM 0 HA ALA A 13 4.730 11.613 11.921 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.895 11.600 10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.807 10.177 11.284 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.692 11.543 11.529 1.00 0.00 H new ATOM 202 N GLU A 14 2.851 14.020 13.080 1.00 0.00 N ATOM 203 CA GLU A 14 2.635 15.438 13.243 1.00 0.00 C ATOM 204 C GLU A 14 3.697 16.017 14.135 1.00 0.00 C ATOM 205 O GLU A 14 4.296 17.058 13.858 1.00 0.00 O ATOM 206 CB GLU A 14 1.232 15.740 13.818 1.00 0.00 C ATOM 207 CG GLU A 14 0.909 17.221 13.701 1.00 0.00 C ATOM 208 CD GLU A 14 -0.488 17.518 14.171 1.00 0.00 C ATOM 209 OE1 GLU A 14 -1.488 17.122 13.524 1.00 0.00 O ATOM 210 OE2 GLU A 14 -0.543 18.214 15.221 1.00 0.00 O ATOM 0 H GLU A 14 2.390 13.477 13.810 1.00 0.00 H new ATOM 0 HA GLU A 14 2.694 15.902 12.258 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.482 15.156 13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.189 15.435 14.864 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.623 17.798 14.289 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.021 17.538 12.664 1.00 0.00 H new ATOM 217 N GLN A 15 3.966 15.317 15.274 1.00 0.00 N ATOM 218 CA GLN A 15 4.795 15.767 16.390 1.00 0.00 C ATOM 219 C GLN A 15 6.268 15.744 16.053 1.00 0.00 C ATOM 220 O GLN A 15 7.055 16.527 16.571 1.00 0.00 O ATOM 221 CB GLN A 15 4.478 14.998 17.707 1.00 0.00 C ATOM 222 CG GLN A 15 4.143 15.904 18.891 1.00 0.00 C ATOM 223 CD GLN A 15 5.423 16.417 19.519 1.00 0.00 C ATOM 224 OE1 GLN A 15 6.481 15.806 19.470 1.00 0.00 O ATOM 225 NE2 GLN A 15 5.377 17.600 20.163 1.00 0.00 N ATOM 0 H GLN A 15 3.585 14.383 15.429 1.00 0.00 H new ATOM 0 HA GLN A 15 4.535 16.810 16.570 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.639 14.325 17.529 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.335 14.378 17.969 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.529 16.741 18.559 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.560 15.354 19.629 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.501 18.120 20.212 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.218 17.975 20.602 1.00 0.00 H new ATOM 234 N ALA A 16 6.624 14.934 15.018 1.00 0.00 N ATOM 235 CA ALA A 16 7.906 14.953 14.337 1.00 0.00 C ATOM 236 C ALA A 16 8.183 16.220 13.537 1.00 0.00 C ATOM 237 O ALA A 16 9.344 16.563 13.344 1.00 0.00 O ATOM 238 CB ALA A 16 8.039 13.744 13.383 1.00 0.00 C ATOM 0 H ALA A 16 5.989 14.233 14.638 1.00 0.00 H new ATOM 0 HA ALA A 16 8.641 14.910 15.141 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.007 13.779 12.884 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.959 12.819 13.954 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.245 13.780 12.637 1.00 0.00 H new ATOM 244 N ALA A 17 7.144 16.991 13.081 1.00 0.00 N ATOM 245 CA ALA A 17 7.380 18.235 12.343 1.00 0.00 C ATOM 246 C ALA A 17 7.511 19.455 13.240 1.00 0.00 C ATOM 247 O ALA A 17 8.051 20.478 12.831 1.00 0.00 O ATOM 248 CB ALA A 17 6.270 18.514 11.300 1.00 0.00 C ATOM 0 H ALA A 17 6.160 16.761 13.218 1.00 0.00 H new ATOM 0 HA ALA A 17 8.332 18.074 11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.487 19.446 10.778 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.232 17.695 10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.308 18.597 11.806 1.00 0.00 H new ATOM 254 N LYS A 18 7.015 19.382 14.505 1.00 0.00 N ATOM 255 CA LYS A 18 6.948 20.513 15.425 1.00 0.00 C ATOM 256 C LYS A 18 8.213 20.636 16.232 1.00 0.00 C ATOM 257 O LYS A 18 8.598 21.716 16.677 1.00 0.00 O ATOM 258 CB LYS A 18 5.739 20.413 16.391 1.00 0.00 C ATOM 259 CG LYS A 18 4.418 20.409 15.626 1.00 0.00 C ATOM 260 CD LYS A 18 3.178 20.332 16.516 1.00 0.00 C ATOM 261 CE LYS A 18 1.881 20.448 15.709 1.00 0.00 C ATOM 262 NZ LYS A 18 0.703 20.013 16.490 1.00 0.00 N ATOM 0 H LYS A 18 6.650 18.517 14.904 1.00 0.00 H new ATOM 0 HA LYS A 18 6.823 21.401 14.805 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.820 19.503 16.986 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.756 21.252 17.087 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.360 21.312 15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.411 19.563 14.939 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.182 19.388 17.061 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.215 21.129 17.258 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.743 21.481 15.390 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.961 19.843 14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.129 19.361 15.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.019 19.529 17.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.132 20.843 16.748 1.00 0.00 H new ATOM 276 N ASP A 19 8.950 19.505 16.396 1.00 0.00 N ATOM 277 CA ASP A 19 10.117 19.361 17.269 1.00 0.00 C ATOM 278 C ASP A 19 11.424 19.908 16.683 1.00 0.00 C ATOM 279 O ASP A 19 12.520 19.713 17.200 1.00 0.00 O ATOM 280 CB ASP A 19 10.267 17.887 17.755 1.00 0.00 C ATOM 281 CG ASP A 19 10.484 17.865 19.264 1.00 0.00 C ATOM 282 OD1 ASP A 19 9.546 18.326 19.978 1.00 0.00 O ATOM 283 OD2 ASP A 19 11.552 17.383 19.717 1.00 0.00 O ATOM 0 H ASP A 19 8.728 18.643 15.899 1.00 0.00 H new ATOM 0 HA ASP A 19 9.920 19.996 18.133 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.375 17.316 17.497 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.107 17.411 17.250 1.00 0.00 H new ATOM 288 N ALA A 20 11.280 20.675 15.573 1.00 0.00 N ATOM 289 CA ALA A 20 12.251 21.551 14.943 1.00 0.00 C ATOM 290 C ALA A 20 12.161 22.962 15.494 1.00 0.00 C ATOM 291 O ALA A 20 13.164 23.668 15.562 1.00 0.00 O ATOM 292 CB ALA A 20 12.037 21.588 13.411 1.00 0.00 C ATOM 0 H ALA A 20 10.396 20.683 15.065 1.00 0.00 H new ATOM 0 HA ALA A 20 13.241 21.151 15.163 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.774 22.250 12.957 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.151 20.584 13.003 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.035 21.957 13.192 1.00 0.00 H new ATOM 298 N GLU A 21 10.933 23.384 15.926 1.00 0.00 N ATOM 299 CA GLU A 21 10.628 24.649 16.575 1.00 0.00 C ATOM 300 C GLU A 21 10.755 24.469 18.070 1.00 0.00 C ATOM 301 O GLU A 21 11.224 25.361 18.781 1.00 0.00 O ATOM 302 CB GLU A 21 9.197 25.190 16.253 1.00 0.00 C ATOM 303 CG GLU A 21 8.950 25.510 14.758 1.00 0.00 C ATOM 304 CD GLU A 21 9.841 26.673 14.326 1.00 0.00 C ATOM 305 OE1 GLU A 21 9.532 27.838 14.688 1.00 0.00 O ATOM 306 OE2 GLU A 21 10.840 26.405 13.614 1.00 0.00 O ATOM 0 H GLU A 21 10.103 22.803 15.813 1.00 0.00 H new ATOM 0 HA GLU A 21 11.337 25.382 16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.463 24.454 16.580 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.024 26.094 16.838 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.161 24.631 14.148 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.902 25.764 14.599 1.00 0.00 H new ATOM 313 N ASN A 22 10.403 23.249 18.587 1.00 0.00 N ATOM 314 CA ASN A 22 10.402 22.907 20.017 1.00 0.00 C ATOM 315 C ASN A 22 11.789 22.726 20.605 1.00 0.00 C ATOM 316 O ASN A 22 11.944 22.604 21.808 1.00 0.00 O ATOM 317 CB ASN A 22 9.656 21.603 20.448 1.00 0.00 C ATOM 318 CG ASN A 22 8.215 21.506 20.002 1.00 0.00 C ATOM 319 OD1 ASN A 22 7.510 22.463 19.685 1.00 0.00 O ATOM 320 ND2 ASN A 22 7.706 20.251 20.004 1.00 0.00 N ATOM 0 H ASN A 22 10.109 22.472 17.995 1.00 0.00 H new ATOM 0 HA ASN A 22 9.871 23.782 20.392 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.200 20.745 20.053 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.689 21.528 21.535 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.733 20.095 19.742 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.296 19.462 20.268 1.00 0.00 H new ATOM 327 N ALA A 23 12.855 22.771 19.770 1.00 0.00 N ATOM 328 CA ALA A 23 14.237 22.635 20.206 1.00 0.00 C ATOM 329 C ALA A 23 14.768 23.895 20.874 1.00 0.00 C ATOM 330 O ALA A 23 15.613 23.817 21.759 1.00 0.00 O ATOM 331 CB ALA A 23 15.169 22.206 19.044 1.00 0.00 C ATOM 0 H ALA A 23 12.761 22.905 18.763 1.00 0.00 H new ATOM 0 HA ALA A 23 14.236 21.843 20.955 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.191 22.116 19.412 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.839 21.245 18.649 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.133 22.955 18.253 1.00 0.00 H new ATOM 337 N SER A 24 14.261 25.099 20.478 1.00 0.00 N ATOM 338 CA SER A 24 14.438 26.362 21.210 1.00 0.00 C ATOM 339 C SER A 24 13.298 26.587 22.182 1.00 0.00 C ATOM 340 O SER A 24 13.465 27.243 23.204 1.00 0.00 O ATOM 341 CB SER A 24 14.667 27.596 20.259 1.00 0.00 C ATOM 342 OG SER A 24 15.135 28.774 20.919 1.00 0.00 O ATOM 0 H SER A 24 13.711 25.207 19.626 1.00 0.00 H new ATOM 0 HA SER A 24 15.356 26.270 21.791 1.00 0.00 H new ATOM 0 HB2 SER A 24 15.386 27.317 19.489 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.730 27.827 19.752 1.00 0.00 H new ATOM 0 HG SER A 24 15.253 29.492 20.262 1.00 0.00 H new ATOM 348 N LYS A 25 12.104 26.012 21.897 1.00 0.00 N ATOM 349 CA LYS A 25 10.880 26.158 22.678 1.00 0.00 C ATOM 350 C LYS A 25 10.743 25.119 23.772 1.00 0.00 C ATOM 351 O LYS A 25 9.664 24.872 24.302 1.00 0.00 O ATOM 352 CB LYS A 25 9.632 26.190 21.744 1.00 0.00 C ATOM 353 CG LYS A 25 8.665 27.337 22.024 1.00 0.00 C ATOM 354 CD LYS A 25 9.295 28.720 21.815 1.00 0.00 C ATOM 355 CE LYS A 25 8.294 29.878 21.870 1.00 0.00 C ATOM 356 NZ LYS A 25 7.563 29.979 23.159 1.00 0.00 N ATOM 0 H LYS A 25 11.977 25.413 21.082 1.00 0.00 H new ATOM 0 HA LYS A 25 10.945 27.116 23.194 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.969 26.259 20.710 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.095 25.246 21.842 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.796 27.238 21.374 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.306 27.259 23.050 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.059 28.878 22.576 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.799 28.735 20.849 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.824 30.813 21.690 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.572 29.760 21.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.020 30.866 23.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.913 29.173 23.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.243 29.969 23.946 1.00 0.00 H new ATOM 370 N GLU A 26 11.903 24.556 24.203 1.00 0.00 N ATOM 371 CA GLU A 26 12.067 23.608 25.294 1.00 0.00 C ATOM 372 C GLU A 26 12.166 24.314 26.636 1.00 0.00 C ATOM 373 O GLU A 26 12.083 23.715 27.704 1.00 0.00 O ATOM 374 CB GLU A 26 13.313 22.698 25.045 1.00 0.00 C ATOM 375 CG GLU A 26 13.115 21.207 25.408 1.00 0.00 C ATOM 376 CD GLU A 26 12.181 20.515 24.414 1.00 0.00 C ATOM 377 OE1 GLU A 26 10.983 20.899 24.359 1.00 0.00 O ATOM 378 OE2 GLU A 26 12.661 19.595 23.704 1.00 0.00 O ATOM 0 H GLU A 26 12.793 24.778 23.758 1.00 0.00 H new ATOM 0 HA GLU A 26 11.180 22.976 25.325 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.590 22.767 23.993 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.151 23.089 25.622 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.080 20.701 25.417 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.704 21.126 26.414 1.00 0.00 H new ATOM 385 N ALA A 27 12.266 25.677 26.580 1.00 0.00 N ATOM 386 CA ALA A 27 12.108 26.637 27.675 1.00 0.00 C ATOM 387 C ALA A 27 10.701 26.684 28.274 1.00 0.00 C ATOM 388 O ALA A 27 10.528 26.987 29.458 1.00 0.00 O ATOM 389 CB ALA A 27 12.490 28.077 27.224 1.00 0.00 C ATOM 0 H ALA A 27 12.474 26.148 25.699 1.00 0.00 H new ATOM 0 HA ALA A 27 12.786 26.277 28.449 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.362 28.766 28.059 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.530 28.092 26.897 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.846 28.383 26.399 1.00 0.00 H new ATOM 395 N GLU A 28 9.661 26.284 27.462 1.00 0.00 N ATOM 396 CA GLU A 28 8.231 26.305 27.784 1.00 0.00 C ATOM 397 C GLU A 28 7.796 25.310 28.847 1.00 0.00 C ATOM 398 O GLU A 28 6.669 25.391 29.330 1.00 0.00 O ATOM 399 CB GLU A 28 7.263 26.124 26.556 1.00 0.00 C ATOM 400 CG GLU A 28 7.085 27.393 25.695 1.00 0.00 C ATOM 401 CD GLU A 28 6.034 27.196 24.585 1.00 0.00 C ATOM 402 OE1 GLU A 28 5.414 26.104 24.464 1.00 0.00 O ATOM 403 OE2 GLU A 28 5.909 28.158 23.773 1.00 0.00 O ATOM 0 H GLU A 28 9.833 25.924 26.523 1.00 0.00 H new ATOM 0 HA GLU A 28 8.135 27.319 28.172 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.643 25.321 25.924 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.286 25.807 26.922 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.787 28.225 26.333 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.041 27.663 25.245 1.00 0.00 H new ATOM 410 N GLU A 29 8.664 24.347 29.261 1.00 0.00 N ATOM 411 CA GLU A 29 8.401 23.479 30.405 1.00 0.00 C ATOM 412 C GLU A 29 8.931 23.990 31.736 1.00 0.00 C ATOM 413 O GLU A 29 8.222 23.958 32.741 1.00 0.00 O ATOM 414 CB GLU A 29 8.841 22.010 30.181 1.00 0.00 C ATOM 415 CG GLU A 29 8.192 21.010 31.172 1.00 0.00 C ATOM 416 CD GLU A 29 8.763 19.636 30.883 1.00 0.00 C ATOM 417 OE1 GLU A 29 9.872 19.354 31.414 1.00 0.00 O ATOM 418 OE2 GLU A 29 8.134 18.893 30.084 1.00 0.00 O ATOM 0 H GLU A 29 9.557 24.164 28.803 1.00 0.00 H new ATOM 0 HA GLU A 29 7.314 23.502 30.476 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.588 21.715 29.163 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.925 21.946 30.272 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.401 21.302 32.201 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.108 21.006 31.056 1.00 0.00 H new ATOM 425 N ALA A 30 10.210 24.446 31.803 1.00 0.00 N ATOM 426 CA ALA A 30 10.892 24.823 33.038 1.00 0.00 C ATOM 427 C ALA A 30 10.702 26.286 33.371 1.00 0.00 C ATOM 428 O ALA A 30 10.670 26.660 34.545 1.00 0.00 O ATOM 429 CB ALA A 30 12.405 24.495 32.978 1.00 0.00 C ATOM 0 H ALA A 30 10.794 24.559 30.975 1.00 0.00 H new ATOM 0 HA ALA A 30 10.434 24.230 33.830 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.879 24.790 33.914 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.539 23.424 32.825 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.863 25.040 32.153 1.00 0.00 H new ATOM 435 N ALA A 31 10.549 27.147 32.321 1.00 0.00 N ATOM 436 CA ALA A 31 10.178 28.556 32.452 1.00 0.00 C ATOM 437 C ALA A 31 8.679 28.737 32.396 1.00 0.00 C ATOM 438 O ALA A 31 8.127 29.471 33.213 1.00 0.00 O ATOM 439 CB ALA A 31 10.847 29.479 31.405 1.00 0.00 C ATOM 0 H ALA A 31 10.686 26.859 31.352 1.00 0.00 H new ATOM 0 HA ALA A 31 10.551 28.857 33.431 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.523 30.507 31.567 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.931 29.420 31.507 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.559 29.161 30.403 1.00 0.00 H new ATOM 445 N LYS A 32 7.990 28.058 31.434 1.00 0.00 N ATOM 446 CA LYS A 32 6.531 28.009 31.288 1.00 0.00 C ATOM 447 C LYS A 32 5.944 29.261 30.685 1.00 0.00 C ATOM 448 O LYS A 32 5.104 29.940 31.283 1.00 0.00 O ATOM 449 CB LYS A 32 5.732 27.537 32.537 1.00 0.00 C ATOM 450 CG LYS A 32 5.635 26.014 32.638 1.00 0.00 C ATOM 451 CD LYS A 32 5.682 25.528 34.087 1.00 0.00 C ATOM 452 CE LYS A 32 4.424 25.886 34.909 1.00 0.00 C ATOM 453 NZ LYS A 32 4.759 26.032 36.349 1.00 0.00 N ATOM 0 H LYS A 32 8.469 27.513 30.717 1.00 0.00 H new ATOM 0 HA LYS A 32 6.399 27.204 30.565 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.209 27.926 33.436 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.728 27.959 32.501 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.707 25.679 32.174 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.453 25.561 32.078 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.812 24.446 34.093 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.557 25.957 34.575 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.992 26.814 34.535 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.669 25.110 34.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.899 26.273 36.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.150 25.137 36.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.463 26.789 36.467 1.00 0.00 H new ATOM 467 N GLU A 33 6.365 29.551 29.425 1.00 0.00 N ATOM 468 CA GLU A 33 6.300 30.881 28.796 1.00 0.00 C ATOM 469 C GLU A 33 4.888 31.300 28.404 1.00 0.00 C ATOM 470 O GLU A 33 4.522 32.476 28.411 1.00 0.00 O ATOM 471 CB GLU A 33 7.188 30.980 27.515 1.00 0.00 C ATOM 472 CG GLU A 33 8.676 30.578 27.669 1.00 0.00 C ATOM 473 CD GLU A 33 9.393 30.841 26.339 1.00 0.00 C ATOM 474 OE1 GLU A 33 8.877 30.313 25.315 1.00 0.00 O ATOM 475 OE2 GLU A 33 10.421 31.568 26.302 1.00 0.00 O ATOM 0 H GLU A 33 6.767 28.843 28.811 1.00 0.00 H new ATOM 0 HA GLU A 33 6.673 31.553 29.569 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.744 30.352 26.743 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.149 32.007 27.152 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.142 31.152 28.470 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.758 29.526 27.941 1.00 0.00 H new ATOM 482 N ALA A 34 4.061 30.271 28.077 1.00 0.00 N ATOM 483 CA ALA A 34 2.683 30.390 27.662 1.00 0.00 C ATOM 484 C ALA A 34 1.731 30.352 28.847 1.00 0.00 C ATOM 485 O ALA A 34 0.595 30.797 28.748 1.00 0.00 O ATOM 486 CB ALA A 34 2.316 29.253 26.672 1.00 0.00 C ATOM 0 H ALA A 34 4.375 29.301 28.105 1.00 0.00 H new ATOM 0 HA ALA A 34 2.578 31.356 27.169 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.274 29.357 26.369 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.958 29.315 25.793 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.458 28.288 27.158 1.00 0.00 H new ATOM 492 N VAL A 35 2.166 29.795 30.012 1.00 0.00 N ATOM 493 CA VAL A 35 1.297 29.502 31.153 1.00 0.00 C ATOM 494 C VAL A 35 1.432 30.601 32.197 1.00 0.00 C ATOM 495 O VAL A 35 0.516 30.861 32.971 1.00 0.00 O ATOM 496 CB VAL A 35 1.605 28.112 31.733 1.00 0.00 C ATOM 497 CG1 VAL A 35 0.649 27.707 32.886 1.00 0.00 C ATOM 498 CG2 VAL A 35 1.513 27.065 30.597 1.00 0.00 C ATOM 0 H VAL A 35 3.141 29.540 30.171 1.00 0.00 H new ATOM 0 HA VAL A 35 0.260 29.481 30.819 1.00 0.00 H new ATOM 0 HB VAL A 35 2.609 28.150 32.155 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.919 26.716 33.252 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.732 28.429 33.698 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.377 27.691 32.519 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.730 26.074 30.997 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.508 27.074 30.174 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.236 27.308 29.819 1.00 0.00 H new ATOM 508 N ASN A 36 2.611 31.276 32.223 1.00 0.00 N ATOM 509 CA ASN A 36 3.016 32.313 33.166 1.00 0.00 C ATOM 510 C ASN A 36 2.535 33.659 32.646 1.00 0.00 C ATOM 511 O ASN A 36 1.537 34.165 33.155 1.00 0.00 O ATOM 512 CB ASN A 36 4.574 32.221 33.408 1.00 0.00 C ATOM 513 CG ASN A 36 5.226 33.353 34.219 1.00 0.00 C ATOM 514 OD1 ASN A 36 4.581 34.152 34.891 1.00 0.00 O ATOM 515 ND2 ASN A 36 6.566 33.487 34.070 1.00 0.00 N ATOM 0 H ASN A 36 3.340 31.087 31.535 1.00 0.00 H new ATOM 0 HA ASN A 36 2.556 32.177 34.145 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.782 31.279 33.915 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.065 32.175 32.436 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.054 34.261 34.520 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.086 32.814 33.508 1.00 0.00 H new ATOM 522 N LEU A 37 3.253 34.221 31.628 1.00 0.00 N ATOM 523 CA LEU A 37 2.968 35.450 30.893 1.00 0.00 C ATOM 524 C LEU A 37 3.920 36.562 31.320 1.00 0.00 C ATOM 525 O LEU A 37 3.960 37.614 30.683 1.00 0.00 O ATOM 526 CB LEU A 37 1.456 35.906 30.877 1.00 0.00 C ATOM 527 CG LEU A 37 0.958 36.879 29.775 1.00 0.00 C ATOM 528 CD1 LEU A 37 -0.313 36.333 29.102 1.00 0.00 C ATOM 529 CD2 LEU A 37 0.675 38.312 30.283 1.00 0.00 C ATOM 0 H LEU A 37 4.107 33.777 31.290 1.00 0.00 H new ATOM 0 HA LEU A 37 3.155 35.211 29.846 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.845 35.005 30.817 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.246 36.370 31.841 1.00 0.00 H new ATOM 0 HG LEU A 37 1.778 36.945 29.059 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.646 37.030 28.333 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.097 35.366 28.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.098 36.215 29.849 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.331 38.931 29.454 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.094 38.279 31.055 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.588 38.738 30.699 1.00 0.00 H new ATOM 541 N LYS A 38 4.708 36.369 32.417 1.00 0.00 N ATOM 542 CA LYS A 38 5.552 37.401 33.008 1.00 0.00 C ATOM 543 C LYS A 38 7.073 37.083 32.876 1.00 0.00 C ATOM 544 O LYS A 38 7.865 38.033 32.568 1.00 0.00 O ATOM 545 CB LYS A 38 5.257 37.610 34.525 1.00 0.00 C ATOM 546 CG LYS A 38 5.323 39.073 35.040 1.00 0.00 C ATOM 547 CD LYS A 38 6.628 39.842 34.742 1.00 0.00 C ATOM 548 CE LYS A 38 6.594 40.676 33.433 1.00 0.00 C ATOM 549 NZ LYS A 38 7.935 40.767 32.793 1.00 0.00 N ATOM 550 OXT LYS A 38 7.450 35.926 33.196 1.00 0.00 O ATOM 0 H LYS A 38 4.762 35.476 32.907 1.00 0.00 H new ATOM 0 HA LYS A 38 5.311 38.304 32.447 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.263 37.216 34.738 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.967 37.013 35.098 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.492 39.627 34.605 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.170 39.064 36.119 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.842 40.508 35.578 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.451 39.129 34.683 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.889 40.225 32.734 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.228 41.679 33.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.870 41.346 31.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.607 41.205 33.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.266 39.813 32.544 1.00 0.00 H new TER 564 LYS A 38