USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=11 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 Set 1.1: A 36 ASN : amide:sc= -0.468 K(o=0.64,f=-1.7) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 172:sc= 1.11 (180deg=1.01) USER MOD Set 2.1: A 15 GLN : amide:sc= -0.686 K(o=-1.3,f=0.8) USER MOD Set 2.2: A 22 ASN : amide:sc= -0.625 K(o=-1.3,f=0.8) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -173:sc= 2.03 (180deg=0.715) USER MOD Set 3.2: A 11 GLN : amide:sc= 0.327 K(o=2.4,f=-12!) USER MOD Single : A 1 GLU N :NH3+ 143:sc= 1.1 (180deg=0.814) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.07) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= 0.953 (180deg=0.0384!) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= 0.444 (180deg=-0.934) USER MOD Single : A 24 SER OG : rot -38:sc= 0.362 USER MOD Single : A 25 LYS NZ :NH3+ -113:sc= 0.0112 (180deg=-0.0837) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0.971 (180deg=0.707) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.173 4.425 2.451 1.00 0.00 N ATOM 2 CA GLU A 1 6.428 4.435 3.753 1.00 0.00 C ATOM 3 C GLU A 1 6.925 3.695 4.981 1.00 0.00 C ATOM 4 O GLU A 1 6.167 3.598 5.941 1.00 0.00 O ATOM 5 CB GLU A 1 4.950 4.009 3.490 1.00 0.00 C ATOM 6 CG GLU A 1 4.137 5.202 2.962 1.00 0.00 C ATOM 7 CD GLU A 1 4.074 5.122 1.462 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.205 4.959 0.914 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.967 5.208 0.875 1.00 0.00 O ATOM 0 H1 GLU A 1 6.495 4.399 1.663 1.00 0.00 H new ATOM 0 H2 GLU A 1 7.756 5.283 2.378 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.786 3.586 2.408 1.00 0.00 H new ATOM 0 HA GLU A 1 6.594 5.468 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.923 3.193 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.503 3.635 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.132 5.189 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.599 6.140 3.270 1.00 0.00 H new ATOM 18 N ALA A 2 8.170 3.172 5.073 1.00 0.00 N ATOM 19 CA ALA A 2 8.613 2.565 6.318 1.00 0.00 C ATOM 20 C ALA A 2 10.094 2.802 6.360 1.00 0.00 C ATOM 21 O ALA A 2 10.820 2.401 5.452 1.00 0.00 O ATOM 22 CB ALA A 2 8.280 1.054 6.460 1.00 0.00 C ATOM 0 H ALA A 2 8.855 3.164 4.318 1.00 0.00 H new ATOM 0 HA ALA A 2 8.081 3.016 7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.648 0.689 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.200 0.913 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.757 0.499 5.653 1.00 0.00 H new ATOM 28 N TYR A 3 10.550 3.519 7.424 1.00 0.00 N ATOM 29 CA TYR A 3 11.917 3.990 7.564 1.00 0.00 C ATOM 30 C TYR A 3 12.294 4.140 9.040 1.00 0.00 C ATOM 31 O TYR A 3 13.389 4.622 9.331 1.00 0.00 O ATOM 32 CB TYR A 3 12.152 5.330 6.771 1.00 0.00 C ATOM 33 CG TYR A 3 11.417 6.549 7.308 1.00 0.00 C ATOM 34 CD1 TYR A 3 10.022 6.710 7.184 1.00 0.00 C ATOM 35 CD2 TYR A 3 12.142 7.545 7.989 1.00 0.00 C ATOM 36 CE1 TYR A 3 9.365 7.802 7.766 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.500 8.641 8.573 1.00 0.00 C ATOM 38 CZ TYR A 3 10.111 8.761 8.469 1.00 0.00 C ATOM 39 OH TYR A 3 9.482 9.860 9.079 1.00 0.00 O ATOM 0 H TYR A 3 9.953 3.779 8.209 1.00 0.00 H new ATOM 0 HA TYR A 3 12.573 3.238 7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 3 13.220 5.545 6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.853 5.175 5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.450 5.979 6.631 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.216 7.461 8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.294 7.905 7.675 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.073 9.389 9.101 1.00 0.00 H new ATOM 0 HH TYR A 3 10.155 10.418 9.521 1.00 0.00 H new ATOM 49 N LYS A 4 11.371 3.760 9.973 1.00 0.00 N ATOM 50 CA LYS A 4 11.288 4.072 11.409 1.00 0.00 C ATOM 51 C LYS A 4 10.307 5.220 11.591 1.00 0.00 C ATOM 52 O LYS A 4 10.201 6.072 10.712 1.00 0.00 O ATOM 53 CB LYS A 4 12.597 4.419 12.200 1.00 0.00 C ATOM 54 CG LYS A 4 13.665 3.305 12.250 1.00 0.00 C ATOM 55 CD LYS A 4 15.023 3.798 12.789 1.00 0.00 C ATOM 56 CE LYS A 4 16.057 4.206 11.716 1.00 0.00 C ATOM 57 NZ LYS A 4 15.547 5.246 10.778 1.00 0.00 N ATOM 0 H LYS A 4 10.591 3.165 9.694 1.00 0.00 H new ATOM 0 HA LYS A 4 10.982 3.122 11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.045 5.306 11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.323 4.680 13.222 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.304 2.491 12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.804 2.897 11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.846 4.653 13.442 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.457 3.011 13.406 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.955 4.579 12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.349 3.323 11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.244 5.405 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.650 4.926 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.390 6.134 11.296 1.00 0.00 H new ATOM 71 N LYS A 5 9.543 5.244 12.730 1.00 0.00 N ATOM 72 CA LYS A 5 8.639 6.308 13.190 1.00 0.00 C ATOM 73 C LYS A 5 7.310 6.387 12.448 1.00 0.00 C ATOM 74 O LYS A 5 6.445 7.229 12.713 1.00 0.00 O ATOM 75 CB LYS A 5 9.287 7.721 13.286 1.00 0.00 C ATOM 76 CG LYS A 5 8.784 8.535 14.487 1.00 0.00 C ATOM 77 CD LYS A 5 9.831 8.596 15.605 1.00 0.00 C ATOM 78 CE LYS A 5 9.280 8.901 17.001 1.00 0.00 C ATOM 79 NZ LYS A 5 8.330 10.026 16.981 1.00 0.00 N ATOM 0 H LYS A 5 9.556 4.460 13.382 1.00 0.00 H new ATOM 0 HA LYS A 5 8.420 5.984 14.207 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.369 7.614 13.355 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.080 8.272 12.369 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.536 9.546 14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.866 8.089 14.871 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.357 7.642 15.640 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.568 9.357 15.349 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.785 8.015 17.398 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.105 9.134 17.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.214 10.399 17.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.694 10.777 16.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.410 9.697 16.624 1.00 0.00 H new ATOM 93 N ALA A 6 7.126 5.446 11.487 1.00 0.00 N ATOM 94 CA ALA A 6 6.100 5.370 10.463 1.00 0.00 C ATOM 95 C ALA A 6 4.828 4.732 10.990 1.00 0.00 C ATOM 96 O ALA A 6 4.382 3.687 10.523 1.00 0.00 O ATOM 97 CB ALA A 6 6.643 4.582 9.239 1.00 0.00 C ATOM 0 H ALA A 6 7.764 4.653 11.420 1.00 0.00 H new ATOM 0 HA ALA A 6 5.847 6.385 10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.871 4.526 8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.518 5.092 8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.921 3.574 9.549 1.00 0.00 H new ATOM 103 N LYS A 7 4.247 5.423 11.999 1.00 0.00 N ATOM 104 CA LYS A 7 2.982 5.250 12.674 1.00 0.00 C ATOM 105 C LYS A 7 1.995 6.256 12.100 1.00 0.00 C ATOM 106 O LYS A 7 2.397 7.339 11.682 1.00 0.00 O ATOM 107 CB LYS A 7 3.143 5.575 14.184 1.00 0.00 C ATOM 108 CG LYS A 7 4.168 4.712 14.960 1.00 0.00 C ATOM 109 CD LYS A 7 3.549 3.823 16.055 1.00 0.00 C ATOM 110 CE LYS A 7 2.683 4.550 17.111 1.00 0.00 C ATOM 111 NZ LYS A 7 3.398 5.648 17.806 1.00 0.00 N ATOM 0 H LYS A 7 4.742 6.221 12.397 1.00 0.00 H new ATOM 0 HA LYS A 7 2.639 4.224 12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.432 6.621 14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.170 5.467 14.664 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.701 4.078 14.252 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.907 5.370 15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.936 3.062 15.573 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.356 3.303 16.572 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.795 4.955 16.625 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.340 3.826 17.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.805 6.014 18.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.292 5.288 18.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.599 6.413 17.131 1.00 0.00 H new ATOM 125 N GLN A 8 0.667 5.965 12.127 1.00 0.00 N ATOM 126 CA GLN A 8 -0.383 6.758 11.491 1.00 0.00 C ATOM 127 C GLN A 8 -1.443 7.180 12.507 1.00 0.00 C ATOM 128 O GLN A 8 -2.628 7.247 12.199 1.00 0.00 O ATOM 129 CB GLN A 8 -1.140 5.947 10.399 1.00 0.00 C ATOM 130 CG GLN A 8 -0.325 5.435 9.190 1.00 0.00 C ATOM 131 CD GLN A 8 0.087 6.591 8.274 1.00 0.00 C ATOM 132 OE1 GLN A 8 -0.307 7.738 8.470 1.00 0.00 O ATOM 133 NE2 GLN A 8 0.869 6.304 7.206 1.00 0.00 N ATOM 0 H GLN A 8 0.302 5.144 12.610 1.00 0.00 H new ATOM 0 HA GLN A 8 0.122 7.620 11.055 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.602 5.085 10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.949 6.571 10.018 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.564 4.911 9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.918 4.714 8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.191 5.349 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.136 7.043 6.556 1.00 0.00 H new ATOM 142 N ALA A 9 -1.031 7.441 13.759 1.00 0.00 N ATOM 143 CA ALA A 9 -1.899 7.829 14.872 1.00 0.00 C ATOM 144 C ALA A 9 -1.870 9.329 15.162 1.00 0.00 C ATOM 145 O ALA A 9 -2.593 9.813 16.031 1.00 0.00 O ATOM 146 CB ALA A 9 -1.622 7.001 16.157 1.00 0.00 C ATOM 0 H ALA A 9 -0.049 7.384 14.028 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.911 7.594 14.543 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.292 7.328 16.952 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.791 5.944 15.952 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.588 7.149 16.470 1.00 0.00 H new ATOM 152 N SER A 10 -0.959 10.066 14.457 1.00 0.00 N ATOM 153 CA SER A 10 -0.691 11.514 14.450 1.00 0.00 C ATOM 154 C SER A 10 -0.166 12.103 15.746 1.00 0.00 C ATOM 155 O SER A 10 -0.387 13.267 16.069 1.00 0.00 O ATOM 156 CB SER A 10 -1.798 12.396 13.824 1.00 0.00 C ATOM 157 OG SER A 10 -2.234 11.801 12.605 1.00 0.00 O ATOM 0 H SER A 10 -0.330 9.591 13.810 1.00 0.00 H new ATOM 0 HA SER A 10 0.150 11.552 13.757 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.635 12.495 14.515 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.418 13.400 13.637 1.00 0.00 H new ATOM 0 HG SER A 10 -2.937 12.354 12.204 1.00 0.00 H new ATOM 163 N GLN A 11 0.590 11.261 16.483 1.00 0.00 N ATOM 164 CA GLN A 11 1.375 11.569 17.668 1.00 0.00 C ATOM 165 C GLN A 11 2.827 11.706 17.297 1.00 0.00 C ATOM 166 O GLN A 11 3.632 12.316 17.990 1.00 0.00 O ATOM 167 CB GLN A 11 1.213 10.411 18.677 1.00 0.00 C ATOM 168 CG GLN A 11 1.479 8.992 18.091 1.00 0.00 C ATOM 169 CD GLN A 11 0.935 7.903 18.998 1.00 0.00 C ATOM 170 OE1 GLN A 11 1.599 6.908 19.285 1.00 0.00 O ATOM 171 NE2 GLN A 11 -0.331 8.063 19.433 1.00 0.00 N ATOM 0 H GLN A 11 0.664 10.275 16.234 1.00 0.00 H new ATOM 0 HA GLN A 11 1.031 12.505 18.107 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.894 10.577 19.512 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.201 10.438 19.081 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.017 8.911 17.107 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.551 8.850 17.953 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.856 8.899 19.178 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.764 7.348 20.017 1.00 0.00 H new ATOM 180 N ASP A 12 3.153 11.031 16.170 1.00 0.00 N ATOM 181 CA ASP A 12 4.463 10.866 15.574 1.00 0.00 C ATOM 182 C ASP A 12 4.599 11.811 14.424 1.00 0.00 C ATOM 183 O ASP A 12 5.581 12.530 14.270 1.00 0.00 O ATOM 184 CB ASP A 12 4.653 9.394 15.086 1.00 0.00 C ATOM 185 CG ASP A 12 5.062 8.563 16.251 1.00 0.00 C ATOM 186 OD1 ASP A 12 6.123 8.855 16.842 1.00 0.00 O ATOM 187 OD2 ASP A 12 4.331 7.611 16.583 1.00 0.00 O ATOM 0 H ASP A 12 2.435 10.556 15.624 1.00 0.00 H new ATOM 0 HA ASP A 12 5.230 11.083 16.317 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.726 9.014 14.656 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.410 9.349 14.303 1.00 0.00 H new ATOM 192 N ALA A 13 3.548 11.827 13.578 1.00 0.00 N ATOM 193 CA ALA A 13 3.524 12.314 12.213 1.00 0.00 C ATOM 194 C ALA A 13 3.146 13.775 12.156 1.00 0.00 C ATOM 195 O ALA A 13 3.378 14.459 11.166 1.00 0.00 O ATOM 196 CB ALA A 13 2.492 11.500 11.396 1.00 0.00 C ATOM 0 H ALA A 13 2.637 11.471 13.867 1.00 0.00 H new ATOM 0 HA ALA A 13 4.524 12.197 11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.472 11.864 10.369 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.772 10.447 11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.504 11.615 11.841 1.00 0.00 H new ATOM 202 N GLU A 14 2.558 14.257 13.275 1.00 0.00 N ATOM 203 CA GLU A 14 2.198 15.615 13.606 1.00 0.00 C ATOM 204 C GLU A 14 3.366 16.258 14.331 1.00 0.00 C ATOM 205 O GLU A 14 3.634 17.446 14.179 1.00 0.00 O ATOM 206 CB GLU A 14 0.901 15.573 14.456 1.00 0.00 C ATOM 207 CG GLU A 14 -0.046 16.775 14.372 1.00 0.00 C ATOM 208 CD GLU A 14 0.439 17.906 15.269 1.00 0.00 C ATOM 209 OE1 GLU A 14 1.209 17.688 16.235 1.00 0.00 O ATOM 210 OE2 GLU A 14 0.037 19.065 15.004 1.00 0.00 O ATOM 0 H GLU A 14 2.307 13.622 14.033 1.00 0.00 H new ATOM 0 HA GLU A 14 1.995 16.219 12.722 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.340 14.684 14.168 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.188 15.445 15.500 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.109 17.123 13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.051 16.474 14.669 1.00 0.00 H new ATOM 217 N GLN A 15 4.140 15.427 15.090 1.00 0.00 N ATOM 218 CA GLN A 15 5.247 15.803 15.973 1.00 0.00 C ATOM 219 C GLN A 15 6.548 15.863 15.200 1.00 0.00 C ATOM 220 O GLN A 15 7.401 16.696 15.474 1.00 0.00 O ATOM 221 CB GLN A 15 5.331 14.852 17.214 1.00 0.00 C ATOM 222 CG GLN A 15 6.590 14.837 18.126 1.00 0.00 C ATOM 223 CD GLN A 15 7.142 16.216 18.532 1.00 0.00 C ATOM 224 OE1 GLN A 15 6.515 17.107 19.114 1.00 0.00 O ATOM 225 NE2 GLN A 15 8.440 16.418 18.210 1.00 0.00 N ATOM 0 H GLN A 15 3.984 14.419 15.090 1.00 0.00 H new ATOM 0 HA GLN A 15 5.056 16.803 16.362 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.477 15.082 17.851 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.190 13.835 16.848 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.352 14.281 19.033 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.380 14.287 17.614 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.966 15.688 17.729 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.893 17.300 18.448 1.00 0.00 H new ATOM 234 N ALA A 16 6.722 15.047 14.124 1.00 0.00 N ATOM 235 CA ALA A 16 7.876 15.042 13.210 1.00 0.00 C ATOM 236 C ALA A 16 7.993 16.307 12.353 1.00 0.00 C ATOM 237 O ALA A 16 9.036 16.603 11.782 1.00 0.00 O ATOM 238 CB ALA A 16 7.834 13.809 12.254 1.00 0.00 C ATOM 0 H ALA A 16 6.025 14.348 13.867 1.00 0.00 H new ATOM 0 HA ALA A 16 8.747 14.996 13.863 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.699 13.833 11.591 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.853 12.892 12.842 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.921 13.840 11.660 1.00 0.00 H new ATOM 244 N ALA A 17 6.878 17.081 12.317 1.00 0.00 N ATOM 245 CA ALA A 17 6.722 18.405 11.744 1.00 0.00 C ATOM 246 C ALA A 17 6.995 19.538 12.721 1.00 0.00 C ATOM 247 O ALA A 17 7.153 20.675 12.280 1.00 0.00 O ATOM 248 CB ALA A 17 5.283 18.630 11.189 1.00 0.00 C ATOM 0 H ALA A 17 6.004 16.750 12.727 1.00 0.00 H new ATOM 0 HA ALA A 17 7.466 18.432 10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.208 19.633 10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.073 17.895 10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.560 18.520 11.997 1.00 0.00 H new ATOM 254 N LYS A 18 7.030 19.262 14.061 1.00 0.00 N ATOM 255 CA LYS A 18 7.234 20.251 15.133 1.00 0.00 C ATOM 256 C LYS A 18 8.692 20.416 15.470 1.00 0.00 C ATOM 257 O LYS A 18 9.082 21.357 16.151 1.00 0.00 O ATOM 258 CB LYS A 18 6.539 19.888 16.488 1.00 0.00 C ATOM 259 CG LYS A 18 5.033 19.635 16.452 1.00 0.00 C ATOM 260 CD LYS A 18 4.127 20.862 16.466 1.00 0.00 C ATOM 261 CE LYS A 18 2.704 20.496 16.948 1.00 0.00 C ATOM 262 NZ LYS A 18 1.682 20.779 15.910 1.00 0.00 N ATOM 0 H LYS A 18 6.912 18.315 14.420 1.00 0.00 H new ATOM 0 HA LYS A 18 6.793 21.158 14.720 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.022 18.997 16.888 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.729 20.697 17.193 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.807 19.057 15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.773 19.012 17.307 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.551 21.624 17.120 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.076 21.292 15.466 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.670 19.439 17.213 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.470 21.059 17.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.841 20.193 16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.417 21.784 15.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.071 20.559 14.971 1.00 0.00 H new ATOM 276 N ASP A 19 9.536 19.464 15.012 1.00 0.00 N ATOM 277 CA ASP A 19 10.912 19.156 15.419 1.00 0.00 C ATOM 278 C ASP A 19 11.982 20.211 15.192 1.00 0.00 C ATOM 279 O ASP A 19 13.135 20.045 15.571 1.00 0.00 O ATOM 280 CB ASP A 19 11.363 17.791 14.806 1.00 0.00 C ATOM 281 CG ASP A 19 11.876 16.813 15.868 1.00 0.00 C ATOM 282 OD1 ASP A 19 11.526 16.912 17.078 1.00 0.00 O ATOM 283 OD2 ASP A 19 12.608 15.897 15.430 1.00 0.00 O ATOM 0 H ASP A 19 9.232 18.831 14.272 1.00 0.00 H new ATOM 0 HA ASP A 19 10.839 19.115 16.506 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.525 17.340 14.276 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.148 17.968 14.070 1.00 0.00 H new ATOM 288 N ALA A 20 11.567 21.374 14.630 1.00 0.00 N ATOM 289 CA ALA A 20 12.299 22.631 14.530 1.00 0.00 C ATOM 290 C ALA A 20 12.030 23.549 15.710 1.00 0.00 C ATOM 291 O ALA A 20 12.940 24.205 16.229 1.00 0.00 O ATOM 292 CB ALA A 20 11.934 23.371 13.217 1.00 0.00 C ATOM 0 H ALA A 20 10.641 21.447 14.208 1.00 0.00 H new ATOM 0 HA ALA A 20 13.359 22.377 14.532 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.490 24.307 13.160 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.190 22.744 12.363 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.865 23.583 13.204 1.00 0.00 H new ATOM 298 N GLU A 21 10.729 23.575 16.166 1.00 0.00 N ATOM 299 CA GLU A 21 10.123 24.397 17.224 1.00 0.00 C ATOM 300 C GLU A 21 10.358 23.713 18.562 1.00 0.00 C ATOM 301 O GLU A 21 10.274 24.310 19.632 1.00 0.00 O ATOM 302 CB GLU A 21 8.542 24.553 17.112 1.00 0.00 C ATOM 303 CG GLU A 21 7.951 25.385 15.950 1.00 0.00 C ATOM 304 CD GLU A 21 6.454 25.653 16.229 1.00 0.00 C ATOM 305 OE1 GLU A 21 6.162 26.395 17.209 1.00 0.00 O ATOM 306 OE2 GLU A 21 5.594 25.112 15.477 1.00 0.00 O ATOM 0 H GLU A 21 10.033 22.956 15.749 1.00 0.00 H new ATOM 0 HA GLU A 21 10.583 25.380 17.127 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.116 23.552 17.049 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.188 24.992 18.045 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.489 26.327 15.851 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.068 24.850 15.007 1.00 0.00 H new ATOM 313 N ASN A 22 10.688 22.405 18.479 1.00 0.00 N ATOM 314 CA ASN A 22 10.807 21.420 19.541 1.00 0.00 C ATOM 315 C ASN A 22 12.041 21.550 20.398 1.00 0.00 C ATOM 316 O ASN A 22 12.070 21.039 21.511 1.00 0.00 O ATOM 317 CB ASN A 22 10.720 19.966 18.995 1.00 0.00 C ATOM 318 CG ASN A 22 9.826 19.075 19.864 1.00 0.00 C ATOM 319 OD1 ASN A 22 10.216 18.202 20.626 1.00 0.00 O ATOM 320 ND2 ASN A 22 8.504 19.301 19.717 1.00 0.00 N ATOM 0 H ASN A 22 10.895 21.987 17.572 1.00 0.00 H new ATOM 0 HA ASN A 22 9.954 21.634 20.185 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.332 19.985 17.977 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.721 19.537 18.947 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.830 18.744 20.242 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.179 20.029 19.081 1.00 0.00 H new ATOM 327 N ALA A 23 13.063 22.305 19.931 1.00 0.00 N ATOM 328 CA ALA A 23 14.239 22.688 20.712 1.00 0.00 C ATOM 329 C ALA A 23 13.955 23.666 21.858 1.00 0.00 C ATOM 330 O ALA A 23 14.342 23.428 23.000 1.00 0.00 O ATOM 331 CB ALA A 23 15.363 23.284 19.824 1.00 0.00 C ATOM 0 H ALA A 23 13.083 22.668 18.978 1.00 0.00 H new ATOM 0 HA ALA A 23 14.566 21.748 21.156 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.215 23.553 20.448 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.673 22.545 19.085 1.00 0.00 H new ATOM 0 HB3 ALA A 23 14.991 24.173 19.314 1.00 0.00 H new ATOM 337 N SER A 24 13.250 24.803 21.583 1.00 0.00 N ATOM 338 CA SER A 24 12.878 25.819 22.572 1.00 0.00 C ATOM 339 C SER A 24 11.509 25.577 23.196 1.00 0.00 C ATOM 340 O SER A 24 11.024 26.415 23.956 1.00 0.00 O ATOM 341 CB SER A 24 12.973 27.271 21.983 1.00 0.00 C ATOM 342 OG SER A 24 12.922 28.292 22.983 1.00 0.00 O ATOM 0 H SER A 24 12.925 25.028 20.643 1.00 0.00 H new ATOM 0 HA SER A 24 13.610 25.727 23.374 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.903 27.368 21.422 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.157 27.423 21.277 1.00 0.00 H new ATOM 0 HG SER A 24 12.283 28.035 23.680 1.00 0.00 H new ATOM 348 N LYS A 25 10.896 24.399 22.911 1.00 0.00 N ATOM 349 CA LYS A 25 9.562 23.960 23.348 1.00 0.00 C ATOM 350 C LYS A 25 9.615 23.400 24.741 1.00 0.00 C ATOM 351 O LYS A 25 8.628 23.366 25.470 1.00 0.00 O ATOM 352 CB LYS A 25 9.014 22.887 22.353 1.00 0.00 C ATOM 353 CG LYS A 25 7.888 21.884 22.741 1.00 0.00 C ATOM 354 CD LYS A 25 8.420 20.513 23.248 1.00 0.00 C ATOM 355 CE LYS A 25 7.418 19.670 24.057 1.00 0.00 C ATOM 356 NZ LYS A 25 7.161 20.321 25.372 1.00 0.00 N ATOM 0 H LYS A 25 11.355 23.694 22.335 1.00 0.00 H new ATOM 0 HA LYS A 25 8.893 24.821 23.355 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.661 23.428 21.475 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.869 22.289 22.037 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.266 22.332 23.516 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.247 21.718 21.875 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.747 19.929 22.387 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.300 20.691 23.866 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.485 19.566 23.503 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.812 18.665 24.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.544 19.726 26.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.623 21.252 25.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.137 20.440 25.506 1.00 0.00 H new ATOM 370 N GLU A 26 10.816 22.926 25.152 1.00 0.00 N ATOM 371 CA GLU A 26 11.054 22.319 26.450 1.00 0.00 C ATOM 372 C GLU A 26 11.465 23.343 27.495 1.00 0.00 C ATOM 373 O GLU A 26 11.110 23.271 28.671 1.00 0.00 O ATOM 374 CB GLU A 26 12.158 21.239 26.296 1.00 0.00 C ATOM 375 CG GLU A 26 12.308 20.292 27.487 1.00 0.00 C ATOM 376 CD GLU A 26 10.971 19.577 27.761 1.00 0.00 C ATOM 377 OE1 GLU A 26 10.201 19.364 26.777 1.00 0.00 O ATOM 378 OE2 GLU A 26 10.702 19.248 28.945 1.00 0.00 O ATOM 0 H GLU A 26 11.651 22.964 24.567 1.00 0.00 H new ATOM 0 HA GLU A 26 10.124 21.869 26.797 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.944 20.647 25.406 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.112 21.738 26.126 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.088 19.558 27.283 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.619 20.851 28.370 1.00 0.00 H new ATOM 385 N ALA A 27 12.204 24.377 27.020 1.00 0.00 N ATOM 386 CA ALA A 27 12.789 25.443 27.810 1.00 0.00 C ATOM 387 C ALA A 27 11.768 26.466 28.259 1.00 0.00 C ATOM 388 O ALA A 27 11.921 27.028 29.336 1.00 0.00 O ATOM 389 CB ALA A 27 13.934 26.171 27.052 1.00 0.00 C ATOM 0 H ALA A 27 12.407 24.477 26.025 1.00 0.00 H new ATOM 0 HA ALA A 27 13.199 24.952 28.693 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.342 26.961 27.682 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.721 25.457 26.809 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.543 26.606 26.132 1.00 0.00 H new ATOM 395 N GLU A 28 10.697 26.695 27.451 1.00 0.00 N ATOM 396 CA GLU A 28 9.634 27.685 27.624 1.00 0.00 C ATOM 397 C GLU A 28 8.822 27.600 28.916 1.00 0.00 C ATOM 398 O GLU A 28 8.904 28.528 29.712 1.00 0.00 O ATOM 399 CB GLU A 28 8.669 27.703 26.419 1.00 0.00 C ATOM 400 CG GLU A 28 7.659 28.870 26.419 1.00 0.00 C ATOM 401 CD GLU A 28 6.654 28.675 25.307 1.00 0.00 C ATOM 402 OE1 GLU A 28 6.948 27.943 24.322 1.00 0.00 O ATOM 403 OE2 GLU A 28 5.553 29.256 25.462 1.00 0.00 O ATOM 0 H GLU A 28 10.558 26.144 26.604 1.00 0.00 H new ATOM 0 HA GLU A 28 10.191 28.619 27.693 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.256 27.748 25.502 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.117 26.763 26.398 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.147 28.920 27.380 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.183 29.817 26.287 1.00 0.00 H new ATOM 410 N GLU A 29 8.078 26.465 29.174 1.00 0.00 N ATOM 411 CA GLU A 29 7.245 26.188 30.369 1.00 0.00 C ATOM 412 C GLU A 29 8.089 26.066 31.622 1.00 0.00 C ATOM 413 O GLU A 29 7.671 26.393 32.727 1.00 0.00 O ATOM 414 CB GLU A 29 6.369 24.878 30.277 1.00 0.00 C ATOM 415 CG GLU A 29 4.962 25.034 29.641 1.00 0.00 C ATOM 416 CD GLU A 29 4.114 23.762 29.866 1.00 0.00 C ATOM 417 OE1 GLU A 29 4.600 22.630 29.592 1.00 0.00 O ATOM 418 OE2 GLU A 29 2.958 23.919 30.335 1.00 0.00 O ATOM 0 H GLU A 29 8.054 25.691 28.510 1.00 0.00 H new ATOM 0 HA GLU A 29 6.576 27.047 30.414 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.923 24.136 29.703 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.247 24.477 31.283 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.455 25.896 30.075 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.060 25.227 28.573 1.00 0.00 H new ATOM 425 N ALA A 30 9.342 25.618 31.423 1.00 0.00 N ATOM 426 CA ALA A 30 10.335 25.257 32.403 1.00 0.00 C ATOM 427 C ALA A 30 11.091 26.455 32.921 1.00 0.00 C ATOM 428 O ALA A 30 11.248 26.606 34.127 1.00 0.00 O ATOM 429 CB ALA A 30 11.312 24.255 31.761 1.00 0.00 C ATOM 0 H ALA A 30 9.700 25.495 30.476 1.00 0.00 H new ATOM 0 HA ALA A 30 9.828 24.810 33.258 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.072 23.970 32.489 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.765 23.368 31.441 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.792 24.717 30.898 1.00 0.00 H new ATOM 435 N ALA A 31 11.543 27.366 32.017 1.00 0.00 N ATOM 436 CA ALA A 31 12.132 28.664 32.313 1.00 0.00 C ATOM 437 C ALA A 31 11.079 29.758 32.353 1.00 0.00 C ATOM 438 O ALA A 31 11.356 30.929 32.097 1.00 0.00 O ATOM 439 CB ALA A 31 13.293 29.035 31.352 1.00 0.00 C ATOM 0 H ALA A 31 11.495 27.187 31.014 1.00 0.00 H new ATOM 0 HA ALA A 31 12.569 28.579 33.308 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.691 30.013 31.623 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.083 28.287 31.430 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.922 29.066 30.328 1.00 0.00 H new ATOM 445 N LYS A 32 9.843 29.381 32.774 1.00 0.00 N ATOM 446 CA LYS A 32 8.749 30.249 33.171 1.00 0.00 C ATOM 447 C LYS A 32 8.764 30.261 34.681 1.00 0.00 C ATOM 448 O LYS A 32 9.420 31.117 35.282 1.00 0.00 O ATOM 449 CB LYS A 32 7.348 29.863 32.585 1.00 0.00 C ATOM 450 CG LYS A 32 7.105 30.549 31.226 1.00 0.00 C ATOM 451 CD LYS A 32 5.980 29.960 30.353 1.00 0.00 C ATOM 452 CE LYS A 32 4.583 30.590 30.457 1.00 0.00 C ATOM 453 NZ LYS A 32 4.003 30.475 31.813 1.00 0.00 N ATOM 0 H LYS A 32 9.588 28.396 32.842 1.00 0.00 H new ATOM 0 HA LYS A 32 8.904 31.243 32.752 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.286 28.781 32.466 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.565 30.152 33.286 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.881 31.600 31.409 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.033 30.516 30.656 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.298 30.022 29.312 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.888 28.901 30.596 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.642 31.643 30.180 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.918 30.109 29.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.013 30.792 31.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.044 29.484 32.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.544 31.068 32.474 1.00 0.00 H new ATOM 467 N GLU A 33 8.107 29.244 35.313 1.00 0.00 N ATOM 468 CA GLU A 33 7.880 29.093 36.751 1.00 0.00 C ATOM 469 C GLU A 33 9.141 28.843 37.565 1.00 0.00 C ATOM 470 O GLU A 33 9.214 29.219 38.732 1.00 0.00 O ATOM 471 CB GLU A 33 6.797 28.015 37.108 1.00 0.00 C ATOM 472 CG GLU A 33 5.375 28.611 37.257 1.00 0.00 C ATOM 473 CD GLU A 33 4.437 27.654 38.020 1.00 0.00 C ATOM 474 OE1 GLU A 33 4.287 26.486 37.567 1.00 0.00 O ATOM 475 OE2 GLU A 33 3.864 28.075 39.065 1.00 0.00 O ATOM 0 H GLU A 33 7.704 28.470 34.784 1.00 0.00 H new ATOM 0 HA GLU A 33 7.496 30.072 37.039 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.785 27.250 36.332 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.077 27.521 38.038 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.432 29.563 37.784 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.961 28.818 36.270 1.00 0.00 H new ATOM 482 N ALA A 34 10.162 28.192 36.958 1.00 0.00 N ATOM 483 CA ALA A 34 11.432 27.898 37.605 1.00 0.00 C ATOM 484 C ALA A 34 12.530 28.932 37.432 1.00 0.00 C ATOM 485 O ALA A 34 13.656 28.681 37.860 1.00 0.00 O ATOM 486 CB ALA A 34 12.003 26.527 37.183 1.00 0.00 C ATOM 0 H ALA A 34 10.111 27.859 35.995 1.00 0.00 H new ATOM 0 HA ALA A 34 11.153 27.904 38.659 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.951 26.355 37.693 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.298 25.741 37.452 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.164 26.516 36.105 1.00 0.00 H new ATOM 492 N VAL A 35 12.267 30.093 36.766 1.00 0.00 N ATOM 493 CA VAL A 35 13.285 31.100 36.480 1.00 0.00 C ATOM 494 C VAL A 35 12.697 32.439 36.831 1.00 0.00 C ATOM 495 O VAL A 35 13.208 33.149 37.698 1.00 0.00 O ATOM 496 CB VAL A 35 13.762 31.097 35.020 1.00 0.00 C ATOM 497 CG1 VAL A 35 14.626 32.330 34.621 1.00 0.00 C ATOM 498 CG2 VAL A 35 14.575 29.810 34.784 1.00 0.00 C ATOM 0 H VAL A 35 11.339 30.339 36.421 1.00 0.00 H new ATOM 0 HA VAL A 35 14.171 30.874 37.074 1.00 0.00 H new ATOM 0 HB VAL A 35 12.870 31.145 34.395 1.00 0.00 H new ATOM 0 HG11 VAL A 35 14.919 32.246 33.575 1.00 0.00 H new ATOM 0 HG12 VAL A 35 14.046 33.242 34.763 1.00 0.00 H new ATOM 0 HG13 VAL A 35 15.518 32.366 35.246 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.925 29.785 33.752 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.431 29.792 35.458 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.945 28.941 34.974 1.00 0.00 H new ATOM 508 N ASN A 36 11.617 32.848 36.105 1.00 0.00 N ATOM 509 CA ASN A 36 11.078 34.205 36.192 1.00 0.00 C ATOM 510 C ASN A 36 9.848 34.234 37.070 1.00 0.00 C ATOM 511 O ASN A 36 9.641 35.213 37.782 1.00 0.00 O ATOM 512 CB ASN A 36 10.887 34.960 34.824 1.00 0.00 C ATOM 513 CG ASN A 36 9.669 34.579 33.971 1.00 0.00 C ATOM 514 OD1 ASN A 36 8.667 35.252 34.193 1.00 0.00 O ATOM 515 ND2 ASN A 36 9.667 33.577 33.064 1.00 0.00 N ATOM 0 H ASN A 36 11.113 32.243 35.456 1.00 0.00 H new ATOM 0 HA ASN A 36 11.859 34.796 36.671 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.830 36.028 35.034 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.782 34.800 34.223 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.817 33.363 32.542 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.516 33.035 32.901 1.00 0.00 H new ATOM 522 N LEU A 37 9.029 33.158 37.016 1.00 0.00 N ATOM 523 CA LEU A 37 7.899 32.806 37.862 1.00 0.00 C ATOM 524 C LEU A 37 6.572 33.006 37.147 1.00 0.00 C ATOM 525 O LEU A 37 5.509 32.752 37.708 1.00 0.00 O ATOM 526 CB LEU A 37 7.884 33.379 39.315 1.00 0.00 C ATOM 527 CG LEU A 37 7.404 32.400 40.407 1.00 0.00 C ATOM 528 CD1 LEU A 37 8.590 31.648 41.042 1.00 0.00 C ATOM 529 CD2 LEU A 37 6.600 33.161 41.467 1.00 0.00 C ATOM 0 H LEU A 37 9.172 32.449 36.297 1.00 0.00 H new ATOM 0 HA LEU A 37 8.051 31.741 38.037 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.891 33.712 39.567 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.243 34.260 39.333 1.00 0.00 H new ATOM 0 HG LEU A 37 6.758 31.653 39.947 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.220 30.966 41.808 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.115 31.081 40.273 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.275 32.365 41.495 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.263 32.466 42.236 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.229 33.927 41.920 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.735 33.632 40.999 1.00 0.00 H new ATOM 541 N LYS A 38 6.617 33.492 35.887 1.00 0.00 N ATOM 542 CA LYS A 38 5.471 33.710 35.040 1.00 0.00 C ATOM 543 C LYS A 38 5.876 32.929 33.788 1.00 0.00 C ATOM 544 O LYS A 38 4.987 32.468 33.011 1.00 0.00 O ATOM 545 CB LYS A 38 5.239 35.189 34.614 1.00 0.00 C ATOM 546 CG LYS A 38 4.743 36.168 35.709 1.00 0.00 C ATOM 547 CD LYS A 38 5.746 36.580 36.807 1.00 0.00 C ATOM 548 CE LYS A 38 6.944 37.377 36.252 1.00 0.00 C ATOM 549 NZ LYS A 38 8.162 37.255 37.088 1.00 0.00 N ATOM 550 OXT LYS A 38 7.099 32.822 33.537 1.00 0.00 O ATOM 0 H LYS A 38 7.495 33.746 35.435 1.00 0.00 H new ATOM 0 HA LYS A 38 4.552 33.419 35.549 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.175 35.576 34.212 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.515 35.197 33.799 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.394 37.075 35.215 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.878 35.717 36.196 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.231 37.181 37.556 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.112 35.686 37.312 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.167 37.030 35.243 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.668 38.429 36.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.965 37.697 36.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.007 37.732 37.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.369 36.250 37.255 1.00 0.00 H new TER 564 LYS A 38