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+ 176:sc= 1.09 (180deg=0.978) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= -0.167 (180deg=-0.195) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00799) USER MOD Single : A 8 GLN : amide:sc=-0.00878 X(o=-0.0088,f=-0.09) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.089) USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= 1.24 (180deg=-0.365) USER MOD Single : A 22 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= 0.813 (180deg=-3.67!) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0.105 (180deg=-0.0947) USER MOD Single : A 36 ASN : amide:sc= -0.343 K(o=-0.34,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.768 -2.964 13.172 1.00 0.00 N ATOM 2 CA GLU A 1 0.555 -3.632 13.658 1.00 0.00 C ATOM 3 C GLU A 1 -0.564 -2.647 13.489 1.00 0.00 C ATOM 4 O GLU A 1 -0.922 -1.989 14.460 1.00 0.00 O ATOM 5 CB GLU A 1 0.748 -3.953 15.179 1.00 0.00 C ATOM 6 CG GLU A 1 1.642 -5.166 15.543 1.00 0.00 C ATOM 7 CD GLU A 1 3.120 -5.092 15.156 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.414 -4.668 14.008 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.971 -5.453 16.010 1.00 0.00 O ATOM 0 H1 GLU A 1 2.591 -3.581 13.329 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.672 -2.767 12.155 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.902 -2.070 13.687 1.00 0.00 H new ATOM 0 HA GLU A 1 0.347 -4.557 13.120 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.167 -3.069 15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.237 -4.117 15.617 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.583 -5.316 16.621 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.215 -6.052 15.074 1.00 0.00 H new ATOM 18 N ALA A 2 -1.118 -2.471 12.247 1.00 0.00 N ATOM 19 CA ALA A 2 -2.274 -1.618 11.932 1.00 0.00 C ATOM 20 C ALA A 2 -1.927 -0.149 11.816 1.00 0.00 C ATOM 21 O ALA A 2 -2.809 0.693 11.684 1.00 0.00 O ATOM 22 CB ALA A 2 -3.531 -1.800 12.852 1.00 0.00 C ATOM 0 H ALA A 2 -0.747 -2.942 11.422 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.564 -1.990 10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.320 -1.122 12.528 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.886 -2.828 12.784 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.262 -1.576 13.884 1.00 0.00 H new ATOM 28 N TYR A 3 -0.627 0.208 11.862 1.00 0.00 N ATOM 29 CA TYR A 3 -0.228 1.588 11.933 1.00 0.00 C ATOM 30 C TYR A 3 1.211 1.459 11.573 1.00 0.00 C ATOM 31 O TYR A 3 1.724 0.336 11.562 1.00 0.00 O ATOM 32 CB TYR A 3 -0.413 2.187 13.367 1.00 0.00 C ATOM 33 CG TYR A 3 -1.193 3.472 13.311 1.00 0.00 C ATOM 34 CD1 TYR A 3 -2.598 3.452 13.353 1.00 0.00 C ATOM 35 CD2 TYR A 3 -0.529 4.708 13.278 1.00 0.00 C ATOM 36 CE1 TYR A 3 -3.330 4.643 13.385 1.00 0.00 C ATOM 37 CE2 TYR A 3 -1.255 5.907 13.314 1.00 0.00 C ATOM 38 CZ TYR A 3 -2.659 5.871 13.368 1.00 0.00 C ATOM 39 OH TYR A 3 -3.408 7.062 13.424 1.00 0.00 O ATOM 0 H TYR A 3 0.148 -0.456 11.850 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.807 2.260 11.299 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -0.931 1.469 14.002 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.562 2.367 13.820 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.118 2.506 13.361 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.549 4.736 13.224 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -4.409 4.615 13.423 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.737 6.855 13.300 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.801 7.831 13.405 1.00 0.00 H new ATOM 49 N LYS A 4 1.878 2.592 11.246 1.00 0.00 N ATOM 50 CA LYS A 4 3.285 2.636 10.917 1.00 0.00 C ATOM 51 C LYS A 4 3.713 3.929 11.551 1.00 0.00 C ATOM 52 O LYS A 4 3.622 4.980 10.923 1.00 0.00 O ATOM 53 CB LYS A 4 3.615 2.642 9.382 1.00 0.00 C ATOM 54 CG LYS A 4 3.097 1.419 8.578 1.00 0.00 C ATOM 55 CD LYS A 4 1.663 1.536 8.005 1.00 0.00 C ATOM 56 CE LYS A 4 1.546 2.138 6.592 1.00 0.00 C ATOM 57 NZ LYS A 4 2.312 3.404 6.509 1.00 0.00 N ATOM 0 H LYS A 4 1.427 3.506 11.209 1.00 0.00 H new ATOM 0 HA LYS A 4 3.798 1.741 11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.195 3.547 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.697 2.701 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.783 1.237 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.137 0.542 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.216 0.542 7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.069 2.144 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.921 1.429 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.499 2.322 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.157 3.843 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.992 4.053 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.325 3.205 6.633 1.00 0.00 H new ATOM 71 N LYS A 5 4.129 3.890 12.836 1.00 0.00 N ATOM 72 CA LYS A 5 4.524 5.026 13.637 1.00 0.00 C ATOM 73 C LYS A 5 5.419 4.352 14.629 1.00 0.00 C ATOM 74 O LYS A 5 5.465 3.122 14.639 1.00 0.00 O ATOM 75 CB LYS A 5 3.351 5.747 14.397 1.00 0.00 C ATOM 76 CG LYS A 5 2.585 6.794 13.574 1.00 0.00 C ATOM 77 CD LYS A 5 3.433 7.966 13.026 1.00 0.00 C ATOM 78 CE LYS A 5 3.286 9.301 13.781 1.00 0.00 C ATOM 79 NZ LYS A 5 3.774 9.226 15.188 1.00 0.00 N ATOM 0 H LYS A 5 4.195 3.012 13.351 1.00 0.00 H new ATOM 0 HA LYS A 5 4.955 5.823 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.645 4.992 14.742 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.758 6.232 15.284 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.108 6.291 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.788 7.205 14.194 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.482 7.672 13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.166 8.128 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.839 10.076 13.250 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.238 9.600 13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.651 10.151 15.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.230 8.507 15.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.782 8.968 15.193 1.00 0.00 H new ATOM 93 N ALA A 6 6.119 5.138 15.486 1.00 0.00 N ATOM 94 CA ALA A 6 7.011 4.679 16.539 1.00 0.00 C ATOM 95 C ALA A 6 6.253 4.488 17.839 1.00 0.00 C ATOM 96 O ALA A 6 6.385 3.468 18.515 1.00 0.00 O ATOM 97 CB ALA A 6 8.131 5.729 16.773 1.00 0.00 C ATOM 0 H ALA A 6 6.062 6.156 15.445 1.00 0.00 H new ATOM 0 HA ALA A 6 7.442 3.727 16.227 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.797 5.381 17.563 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.699 5.866 15.853 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.684 6.678 17.068 1.00 0.00 H new ATOM 103 N LYS A 7 5.421 5.504 18.180 1.00 0.00 N ATOM 104 CA LYS A 7 4.578 5.605 19.353 1.00 0.00 C ATOM 105 C LYS A 7 3.176 5.207 18.941 1.00 0.00 C ATOM 106 O LYS A 7 2.882 5.024 17.762 1.00 0.00 O ATOM 107 CB LYS A 7 4.545 7.075 19.909 1.00 0.00 C ATOM 108 CG LYS A 7 5.579 7.397 20.999 1.00 0.00 C ATOM 109 CD LYS A 7 7.046 7.408 20.531 1.00 0.00 C ATOM 110 CE LYS A 7 8.021 7.976 21.569 1.00 0.00 C ATOM 111 NZ LYS A 7 7.970 7.182 22.821 1.00 0.00 N ATOM 0 H LYS A 7 5.330 6.326 17.583 1.00 0.00 H new ATOM 0 HA LYS A 7 4.970 4.957 20.137 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.695 7.762 19.077 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.550 7.271 20.308 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.343 8.373 21.424 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.476 6.667 21.801 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.346 6.390 20.283 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.121 7.995 19.616 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.034 7.967 21.167 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.771 9.016 21.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.661 7.560 23.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.015 7.239 23.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.198 6.189 22.612 1.00 0.00 H new ATOM 125 N GLN A 8 2.288 5.075 19.953 1.00 0.00 N ATOM 126 CA GLN A 8 0.942 4.544 19.812 1.00 0.00 C ATOM 127 C GLN A 8 -0.082 5.663 19.902 1.00 0.00 C ATOM 128 O GLN A 8 -1.240 5.485 19.541 1.00 0.00 O ATOM 129 CB GLN A 8 0.698 3.442 20.895 1.00 0.00 C ATOM 130 CG GLN A 8 0.887 1.986 20.400 1.00 0.00 C ATOM 131 CD GLN A 8 2.156 1.749 19.554 1.00 0.00 C ATOM 132 OE1 GLN A 8 2.074 1.825 18.329 1.00 0.00 O ATOM 133 NE2 GLN A 8 3.323 1.430 20.173 1.00 0.00 N ATOM 0 H GLN A 8 2.509 5.347 20.911 1.00 0.00 H new ATOM 0 HA GLN A 8 0.831 4.084 18.830 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.377 3.617 21.730 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.316 3.550 21.280 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.916 1.324 21.265 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.016 1.702 19.810 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.362 1.374 21.191 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.160 1.246 19.620 1.00 0.00 H new ATOM 142 N ALA A 9 0.328 6.861 20.398 1.00 0.00 N ATOM 143 CA ALA A 9 -0.473 8.065 20.464 1.00 0.00 C ATOM 144 C ALA A 9 -0.092 8.991 19.326 1.00 0.00 C ATOM 145 O ALA A 9 0.508 8.576 18.333 1.00 0.00 O ATOM 146 CB ALA A 9 -0.318 8.748 21.843 1.00 0.00 C ATOM 0 H ALA A 9 1.267 6.996 20.772 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.526 7.808 20.353 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.928 9.651 21.872 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.644 8.064 22.626 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.728 9.011 22.003 1.00 0.00 H new ATOM 152 N SER A 10 -0.454 10.293 19.445 1.00 0.00 N ATOM 153 CA SER A 10 -0.319 11.244 18.347 1.00 0.00 C ATOM 154 C SER A 10 0.293 12.534 18.815 1.00 0.00 C ATOM 155 O SER A 10 0.059 13.590 18.236 1.00 0.00 O ATOM 156 CB SER A 10 -1.670 11.505 17.614 1.00 0.00 C ATOM 157 OG SER A 10 -2.130 10.303 17.002 1.00 0.00 O ATOM 0 H SER A 10 -0.841 10.695 20.299 1.00 0.00 H new ATOM 0 HA SER A 10 0.355 10.787 17.622 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.413 11.870 18.322 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.540 12.281 16.860 1.00 0.00 H new ATOM 0 HG SER A 10 -2.980 10.473 16.545 1.00 0.00 H new ATOM 163 N GLN A 11 1.199 12.432 19.826 1.00 0.00 N ATOM 164 CA GLN A 11 2.016 13.503 20.408 1.00 0.00 C ATOM 165 C GLN A 11 3.242 13.744 19.552 1.00 0.00 C ATOM 166 O GLN A 11 3.796 14.826 19.398 1.00 0.00 O ATOM 167 CB GLN A 11 2.509 13.085 21.827 1.00 0.00 C ATOM 168 CG GLN A 11 3.268 11.725 21.928 1.00 0.00 C ATOM 169 CD GLN A 11 3.703 11.432 23.356 1.00 0.00 C ATOM 170 OE1 GLN A 11 3.184 10.482 23.936 1.00 0.00 O ATOM 171 NE2 GLN A 11 4.658 12.204 23.937 1.00 0.00 N ATOM 0 H GLN A 11 1.381 11.535 20.277 1.00 0.00 H new ATOM 0 HA GLN A 11 1.405 14.404 20.464 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.164 13.870 22.206 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.645 13.043 22.490 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.625 10.921 21.571 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.142 11.746 21.278 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.065 12.985 23.422 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.968 12.003 24.888 1.00 0.00 H new ATOM 180 N ASP A 12 3.620 12.625 18.910 1.00 0.00 N ATOM 181 CA ASP A 12 4.819 12.287 18.180 1.00 0.00 C ATOM 182 C ASP A 12 4.558 12.620 16.725 1.00 0.00 C ATOM 183 O ASP A 12 5.460 12.807 15.921 1.00 0.00 O ATOM 184 CB ASP A 12 5.046 10.763 18.444 1.00 0.00 C ATOM 185 CG ASP A 12 6.378 10.218 17.963 1.00 0.00 C ATOM 186 OD1 ASP A 12 7.384 10.595 18.624 1.00 0.00 O ATOM 187 OD2 ASP A 12 6.382 9.363 17.026 1.00 0.00 O ATOM 0 H ASP A 12 2.982 11.829 18.901 1.00 0.00 H new ATOM 0 HA ASP A 12 5.715 12.831 18.479 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.961 10.579 19.515 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.246 10.203 17.960 1.00 0.00 H new ATOM 192 N ALA A 13 3.246 12.787 16.395 1.00 0.00 N ATOM 193 CA ALA A 13 2.700 13.109 15.088 1.00 0.00 C ATOM 194 C ALA A 13 2.651 14.607 14.892 1.00 0.00 C ATOM 195 O ALA A 13 2.810 15.093 13.778 1.00 0.00 O ATOM 196 CB ALA A 13 1.261 12.549 14.947 1.00 0.00 C ATOM 0 H ALA A 13 2.512 12.689 17.096 1.00 0.00 H new ATOM 0 HA ALA A 13 3.347 12.657 14.336 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.868 12.800 13.962 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.279 11.466 15.066 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.623 12.987 15.714 1.00 0.00 H new ATOM 202 N GLU A 14 2.448 15.349 16.014 1.00 0.00 N ATOM 203 CA GLU A 14 2.350 16.791 16.113 1.00 0.00 C ATOM 204 C GLU A 14 3.745 17.382 16.206 1.00 0.00 C ATOM 205 O GLU A 14 4.075 18.373 15.556 1.00 0.00 O ATOM 206 CB GLU A 14 1.502 17.190 17.374 1.00 0.00 C ATOM 207 CG GLU A 14 0.201 17.959 17.057 1.00 0.00 C ATOM 208 CD GLU A 14 -0.061 19.081 18.065 1.00 0.00 C ATOM 209 OE1 GLU A 14 0.677 20.104 17.969 1.00 0.00 O ATOM 210 OE2 GLU A 14 -0.986 18.969 18.908 1.00 0.00 O ATOM 0 H GLU A 14 2.344 14.903 16.925 1.00 0.00 H new ATOM 0 HA GLU A 14 1.852 17.183 15.226 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.248 16.285 17.926 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.119 17.802 18.032 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.264 18.380 16.054 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.640 17.266 17.059 1.00 0.00 H new ATOM 217 N GLN A 15 4.626 16.725 17.012 1.00 0.00 N ATOM 218 CA GLN A 15 5.931 17.264 17.379 1.00 0.00 C ATOM 219 C GLN A 15 7.061 16.924 16.403 1.00 0.00 C ATOM 220 O GLN A 15 8.194 17.371 16.572 1.00 0.00 O ATOM 221 CB GLN A 15 6.294 16.873 18.839 1.00 0.00 C ATOM 222 CG GLN A 15 7.018 17.981 19.628 1.00 0.00 C ATOM 223 CD GLN A 15 6.078 19.155 19.920 1.00 0.00 C ATOM 224 OE1 GLN A 15 4.994 19.045 20.482 1.00 0.00 O ATOM 225 NE2 GLN A 15 6.498 20.357 19.479 1.00 0.00 N ATOM 0 H GLN A 15 4.434 15.808 17.416 1.00 0.00 H new ATOM 0 HA GLN A 15 5.832 18.348 17.314 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.380 16.603 19.369 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.925 15.985 18.819 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.399 17.575 20.565 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.879 18.333 19.060 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.401 20.442 19.012 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.913 21.182 19.612 1.00 0.00 H new ATOM 234 N ALA A 16 6.746 16.150 15.334 1.00 0.00 N ATOM 235 CA ALA A 16 7.622 15.812 14.219 1.00 0.00 C ATOM 236 C ALA A 16 7.534 16.796 13.060 1.00 0.00 C ATOM 237 O ALA A 16 8.345 16.764 12.146 1.00 0.00 O ATOM 238 CB ALA A 16 7.355 14.381 13.679 1.00 0.00 C ATOM 0 H ALA A 16 5.822 15.730 15.236 1.00 0.00 H new ATOM 0 HA ALA A 16 8.628 15.865 14.635 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.031 14.173 12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.523 13.655 14.474 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.324 14.309 13.334 1.00 0.00 H new ATOM 244 N ALA A 17 6.531 17.714 13.050 1.00 0.00 N ATOM 245 CA ALA A 17 6.390 18.750 12.026 1.00 0.00 C ATOM 246 C ALA A 17 7.119 20.028 12.416 1.00 0.00 C ATOM 247 O ALA A 17 7.548 20.834 11.594 1.00 0.00 O ATOM 248 CB ALA A 17 4.899 19.078 11.779 1.00 0.00 C ATOM 0 H ALA A 17 5.801 17.745 13.762 1.00 0.00 H new ATOM 0 HA ALA A 17 6.836 18.356 11.113 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.818 19.850 11.014 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.380 18.180 11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.447 19.435 12.704 1.00 0.00 H new ATOM 254 N LYS A 18 7.195 20.226 13.757 1.00 0.00 N ATOM 255 CA LYS A 18 7.759 21.358 14.481 1.00 0.00 C ATOM 256 C LYS A 18 9.224 21.178 14.819 1.00 0.00 C ATOM 257 O LYS A 18 9.862 22.128 15.253 1.00 0.00 O ATOM 258 CB LYS A 18 6.952 21.657 15.784 1.00 0.00 C ATOM 259 CG LYS A 18 5.431 21.849 15.560 1.00 0.00 C ATOM 260 CD LYS A 18 4.620 21.575 16.839 1.00 0.00 C ATOM 261 CE LYS A 18 3.134 21.174 16.658 1.00 0.00 C ATOM 262 NZ LYS A 18 2.064 22.110 17.120 1.00 0.00 N ATOM 0 H LYS A 18 6.826 19.527 14.402 1.00 0.00 H new ATOM 0 HA LYS A 18 7.682 22.209 13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.104 20.838 16.488 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.356 22.556 16.249 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.240 22.867 15.221 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.094 21.181 14.767 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.120 20.781 17.393 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.656 22.469 17.461 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.971 20.988 15.596 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.985 20.225 17.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.273 21.564 17.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.449 22.744 17.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.724 22.674 16.315 1.00 0.00 H new ATOM 276 N ASP A 19 9.782 19.959 14.630 1.00 0.00 N ATOM 277 CA ASP A 19 11.131 19.413 14.874 1.00 0.00 C ATOM 278 C ASP A 19 12.379 20.274 14.735 1.00 0.00 C ATOM 279 O ASP A 19 13.376 20.048 15.418 1.00 0.00 O ATOM 280 CB ASP A 19 11.340 18.027 14.162 1.00 0.00 C ATOM 281 CG ASP A 19 11.380 18.068 12.610 1.00 0.00 C ATOM 282 OD1 ASP A 19 11.292 19.197 12.057 1.00 0.00 O ATOM 283 OD2 ASP A 19 11.512 16.987 11.978 1.00 0.00 O ATOM 0 H ASP A 19 9.195 19.222 14.239 1.00 0.00 H new ATOM 0 HA ASP A 19 11.072 19.331 15.959 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.273 17.592 14.520 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.537 17.357 14.469 1.00 0.00 H new ATOM 288 N ALA A 20 12.323 21.333 13.900 1.00 0.00 N ATOM 289 CA ALA A 20 13.372 22.324 13.694 1.00 0.00 C ATOM 290 C ALA A 20 13.302 23.415 14.754 1.00 0.00 C ATOM 291 O ALA A 20 14.322 23.927 15.202 1.00 0.00 O ATOM 292 CB ALA A 20 13.314 22.983 12.289 1.00 0.00 C ATOM 0 H ALA A 20 11.499 21.519 13.328 1.00 0.00 H new ATOM 0 HA ALA A 20 14.315 21.783 13.773 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.119 23.711 12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.427 22.216 11.523 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.355 23.484 12.162 1.00 0.00 H new ATOM 298 N GLU A 21 12.058 23.744 15.207 1.00 0.00 N ATOM 299 CA GLU A 21 11.761 24.686 16.268 1.00 0.00 C ATOM 300 C GLU A 21 11.736 23.959 17.602 1.00 0.00 C ATOM 301 O GLU A 21 11.795 24.582 18.664 1.00 0.00 O ATOM 302 CB GLU A 21 10.391 25.408 16.091 1.00 0.00 C ATOM 303 CG GLU A 21 10.157 26.200 14.784 1.00 0.00 C ATOM 304 CD GLU A 21 8.758 26.814 14.920 1.00 0.00 C ATOM 305 OE1 GLU A 21 7.847 25.963 15.073 1.00 0.00 O ATOM 306 OE2 GLU A 21 8.583 28.057 14.974 1.00 0.00 O ATOM 0 H GLU A 21 11.215 23.329 14.810 1.00 0.00 H new ATOM 0 HA GLU A 21 12.546 25.442 16.231 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.604 24.658 16.174 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.265 26.096 16.927 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.914 26.974 14.653 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.216 25.547 13.914 1.00 0.00 H new ATOM 313 N ASN A 22 11.685 22.584 17.597 1.00 0.00 N ATOM 314 CA ASN A 22 11.582 21.725 18.793 1.00 0.00 C ATOM 315 C ASN A 22 12.769 21.781 19.750 1.00 0.00 C ATOM 316 O ASN A 22 12.672 21.441 20.924 1.00 0.00 O ATOM 317 CB ASN A 22 11.321 20.231 18.430 1.00 0.00 C ATOM 318 CG ASN A 22 10.419 19.525 19.447 1.00 0.00 C ATOM 319 OD1 ASN A 22 9.596 20.159 20.105 1.00 0.00 O ATOM 320 ND2 ASN A 22 10.418 18.175 19.490 1.00 0.00 N ATOM 0 H ASN A 22 11.716 22.046 16.731 1.00 0.00 H new ATOM 0 HA ASN A 22 10.726 22.152 19.316 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.862 20.176 17.443 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.273 19.705 18.368 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.736 17.684 20.067 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.100 17.647 18.945 1.00 0.00 H new ATOM 327 N ALA A 23 13.913 22.282 19.233 1.00 0.00 N ATOM 328 CA ALA A 23 15.131 22.560 19.995 1.00 0.00 C ATOM 329 C ALA A 23 15.071 23.711 21.004 1.00 0.00 C ATOM 330 O ALA A 23 15.703 23.630 22.049 1.00 0.00 O ATOM 331 CB ALA A 23 16.336 22.798 19.052 1.00 0.00 C ATOM 0 H ALA A 23 14.007 22.508 18.243 1.00 0.00 H new ATOM 0 HA ALA A 23 15.249 21.655 20.591 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.227 23.002 19.645 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.502 21.910 18.442 1.00 0.00 H new ATOM 0 HB3 ALA A 23 16.128 23.650 18.404 1.00 0.00 H new ATOM 337 N SER A 24 14.343 24.830 20.706 1.00 0.00 N ATOM 338 CA SER A 24 14.135 25.928 21.673 1.00 0.00 C ATOM 339 C SER A 24 12.896 25.760 22.507 1.00 0.00 C ATOM 340 O SER A 24 12.885 26.177 23.665 1.00 0.00 O ATOM 341 CB SER A 24 14.241 27.403 21.121 1.00 0.00 C ATOM 342 OG SER A 24 15.374 28.098 21.665 1.00 0.00 O ATOM 0 H SER A 24 13.896 24.985 19.802 1.00 0.00 H new ATOM 0 HA SER A 24 15.011 25.815 22.311 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.317 27.379 20.034 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.329 27.948 21.365 1.00 0.00 H new ATOM 0 HG SER A 24 15.407 29.006 21.299 1.00 0.00 H new ATOM 348 N LYS A 25 11.838 25.084 21.963 1.00 0.00 N ATOM 349 CA LYS A 25 10.592 24.672 22.585 1.00 0.00 C ATOM 350 C LYS A 25 10.649 23.904 23.904 1.00 0.00 C ATOM 351 O LYS A 25 9.742 23.984 24.734 1.00 0.00 O ATOM 352 CB LYS A 25 9.810 23.821 21.535 1.00 0.00 C ATOM 353 CG LYS A 25 8.700 24.599 20.846 1.00 0.00 C ATOM 354 CD LYS A 25 7.578 24.946 21.828 1.00 0.00 C ATOM 355 CE LYS A 25 6.615 26.070 21.378 1.00 0.00 C ATOM 356 NZ LYS A 25 7.331 27.351 21.106 1.00 0.00 N ATOM 0 H LYS A 25 11.865 24.799 20.984 1.00 0.00 H new ATOM 0 HA LYS A 25 10.110 25.606 22.875 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.507 23.451 20.783 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.382 22.949 22.029 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.106 25.514 20.415 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.297 24.011 20.022 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.993 24.045 22.016 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.028 25.237 22.777 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.085 25.754 20.479 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.863 26.233 22.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.908 28.113 21.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.335 27.248 21.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.250 27.586 20.096 1.00 0.00 H new ATOM 370 N GLU A 26 11.787 23.211 24.135 1.00 0.00 N ATOM 371 CA GLU A 26 12.072 22.223 25.158 1.00 0.00 C ATOM 372 C GLU A 26 12.187 22.801 26.567 1.00 0.00 C ATOM 373 O GLU A 26 12.160 22.102 27.578 1.00 0.00 O ATOM 374 CB GLU A 26 13.362 21.449 24.756 1.00 0.00 C ATOM 375 CG GLU A 26 13.289 19.970 25.132 1.00 0.00 C ATOM 376 CD GLU A 26 14.608 19.227 24.923 1.00 0.00 C ATOM 377 OE1 GLU A 26 15.520 19.793 24.263 1.00 0.00 O ATOM 378 OE2 GLU A 26 14.721 18.078 25.429 1.00 0.00 O ATOM 0 H GLU A 26 12.602 23.358 23.539 1.00 0.00 H new ATOM 0 HA GLU A 26 11.220 21.545 25.207 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.519 21.541 23.681 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.224 21.904 25.244 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.992 19.882 26.177 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.511 19.489 24.538 1.00 0.00 H new ATOM 385 N ALA A 27 12.248 24.158 26.631 1.00 0.00 N ATOM 386 CA ALA A 27 12.132 24.990 27.821 1.00 0.00 C ATOM 387 C ALA A 27 10.685 25.389 28.083 1.00 0.00 C ATOM 388 O ALA A 27 10.191 25.239 29.201 1.00 0.00 O ATOM 389 CB ALA A 27 13.009 26.257 27.680 1.00 0.00 C ATOM 0 H ALA A 27 12.389 24.719 25.791 1.00 0.00 H new ATOM 0 HA ALA A 27 12.482 24.402 28.670 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.912 26.869 28.577 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.051 25.965 27.551 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.683 26.831 26.813 1.00 0.00 H new ATOM 395 N GLU A 28 9.971 25.834 26.990 1.00 0.00 N ATOM 396 CA GLU A 28 8.591 26.311 26.868 1.00 0.00 C ATOM 397 C GLU A 28 7.563 25.226 27.159 1.00 0.00 C ATOM 398 O GLU A 28 6.425 25.551 27.476 1.00 0.00 O ATOM 399 CB GLU A 28 8.227 26.870 25.429 1.00 0.00 C ATOM 400 CG GLU A 28 8.815 28.242 24.982 1.00 0.00 C ATOM 401 CD GLU A 28 8.525 28.440 23.504 1.00 0.00 C ATOM 402 OE1 GLU A 28 9.311 27.841 22.725 1.00 0.00 O ATOM 403 OE2 GLU A 28 7.492 29.040 23.072 1.00 0.00 O ATOM 0 H GLU A 28 10.428 25.859 26.078 1.00 0.00 H new ATOM 0 HA GLU A 28 8.548 27.111 27.607 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.538 26.124 24.698 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.141 26.942 25.369 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.373 29.050 25.565 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.890 28.269 25.163 1.00 0.00 H new ATOM 410 N GLU A 29 7.951 23.909 27.109 1.00 0.00 N ATOM 411 CA GLU A 29 7.173 22.737 27.541 1.00 0.00 C ATOM 412 C GLU A 29 6.752 22.783 28.995 1.00 0.00 C ATOM 413 O GLU A 29 5.562 22.867 29.297 1.00 0.00 O ATOM 414 CB GLU A 29 7.895 21.356 27.289 1.00 0.00 C ATOM 415 CG GLU A 29 7.370 20.561 26.080 1.00 0.00 C ATOM 416 CD GLU A 29 8.222 20.856 24.861 1.00 0.00 C ATOM 417 OE1 GLU A 29 9.313 20.245 24.773 1.00 0.00 O ATOM 418 OE2 GLU A 29 7.791 21.658 23.999 1.00 0.00 O ATOM 0 H GLU A 29 8.866 23.643 26.744 1.00 0.00 H new ATOM 0 HA GLU A 29 6.288 22.797 26.907 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.960 21.540 27.150 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.792 20.740 28.183 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.390 19.493 26.299 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.332 20.826 25.882 1.00 0.00 H new ATOM 425 N ALA A 30 7.763 22.825 29.904 1.00 0.00 N ATOM 426 CA ALA A 30 7.653 22.965 31.347 1.00 0.00 C ATOM 427 C ALA A 30 7.435 24.416 31.730 1.00 0.00 C ATOM 428 O ALA A 30 6.607 24.743 32.584 1.00 0.00 O ATOM 429 CB ALA A 30 8.932 22.453 32.068 1.00 0.00 C ATOM 0 H ALA A 30 8.736 22.756 29.607 1.00 0.00 H new ATOM 0 HA ALA A 30 6.799 22.364 31.660 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.815 22.573 33.145 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.084 21.399 31.834 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.795 23.028 31.731 1.00 0.00 H new ATOM 435 N ALA A 31 8.114 25.357 31.013 1.00 0.00 N ATOM 436 CA ALA A 31 8.010 26.791 31.278 1.00 0.00 C ATOM 437 C ALA A 31 6.778 27.470 30.687 1.00 0.00 C ATOM 438 O ALA A 31 6.692 28.693 30.694 1.00 0.00 O ATOM 439 CB ALA A 31 9.295 27.566 30.882 1.00 0.00 C ATOM 0 H ALA A 31 8.741 25.127 30.242 1.00 0.00 H new ATOM 0 HA ALA A 31 7.890 26.839 32.360 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.163 28.626 31.100 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.142 27.181 31.451 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.485 27.436 29.817 1.00 0.00 H new ATOM 445 N LYS A 32 5.744 26.687 30.251 1.00 0.00 N ATOM 446 CA LYS A 32 4.358 27.136 30.107 1.00 0.00 C ATOM 447 C LYS A 32 3.420 26.306 30.959 1.00 0.00 C ATOM 448 O LYS A 32 2.211 26.469 30.855 1.00 0.00 O ATOM 449 CB LYS A 32 3.833 27.248 28.629 1.00 0.00 C ATOM 450 CG LYS A 32 3.573 25.933 27.844 1.00 0.00 C ATOM 451 CD LYS A 32 2.125 25.398 27.795 1.00 0.00 C ATOM 452 CE LYS A 32 1.978 23.997 27.171 1.00 0.00 C ATOM 453 NZ LYS A 32 2.796 22.920 27.840 1.00 0.00 N ATOM 0 H LYS A 32 5.873 25.710 29.990 1.00 0.00 H new ATOM 0 HA LYS A 32 4.366 28.163 30.473 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.902 27.815 28.648 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.554 27.838 28.063 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.909 26.083 26.818 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.203 25.155 28.275 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.727 25.373 28.809 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.512 26.099 27.229 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.927 23.709 27.202 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.263 24.050 26.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.717 22.036 27.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.793 23.215 27.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.443 22.766 28.806 1.00 0.00 H new ATOM 467 N GLU A 33 3.918 25.390 31.842 1.00 0.00 N ATOM 468 CA GLU A 33 3.047 24.702 32.804 1.00 0.00 C ATOM 469 C GLU A 33 3.116 25.305 34.186 1.00 0.00 C ATOM 470 O GLU A 33 2.076 25.476 34.819 1.00 0.00 O ATOM 471 CB GLU A 33 3.148 23.148 32.745 1.00 0.00 C ATOM 472 CG GLU A 33 2.226 22.686 31.592 1.00 0.00 C ATOM 473 CD GLU A 33 2.477 21.304 31.015 1.00 0.00 C ATOM 474 OE1 GLU A 33 2.387 20.268 31.722 1.00 0.00 O ATOM 475 OE2 GLU A 33 2.711 21.315 29.776 1.00 0.00 O ATOM 0 H GLU A 33 4.901 25.125 31.896 1.00 0.00 H new ATOM 0 HA GLU A 33 2.023 24.890 32.480 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.176 22.834 32.568 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.837 22.704 33.691 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.196 22.722 31.948 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.309 23.411 30.782 1.00 0.00 H new ATOM 482 N ALA A 34 4.317 25.661 34.713 1.00 0.00 N ATOM 483 CA ALA A 34 4.425 26.300 36.018 1.00 0.00 C ATOM 484 C ALA A 34 4.410 27.815 36.006 1.00 0.00 C ATOM 485 O ALA A 34 3.984 28.453 36.966 1.00 0.00 O ATOM 486 CB ALA A 34 5.699 25.807 36.763 1.00 0.00 C ATOM 0 H ALA A 34 5.210 25.510 34.244 1.00 0.00 H new ATOM 0 HA ALA A 34 3.518 25.998 36.542 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.763 26.295 37.736 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.645 24.727 36.901 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.583 26.053 36.174 1.00 0.00 H new ATOM 492 N VAL A 35 4.933 28.436 34.929 1.00 0.00 N ATOM 493 CA VAL A 35 5.314 29.837 34.904 1.00 0.00 C ATOM 494 C VAL A 35 4.253 30.653 34.163 1.00 0.00 C ATOM 495 O VAL A 35 4.221 31.874 34.257 1.00 0.00 O ATOM 496 CB VAL A 35 6.750 29.965 34.366 1.00 0.00 C ATOM 497 CG1 VAL A 35 7.257 31.423 34.376 1.00 0.00 C ATOM 498 CG2 VAL A 35 7.687 29.106 35.262 1.00 0.00 C ATOM 0 H VAL A 35 5.100 27.957 34.044 1.00 0.00 H new ATOM 0 HA VAL A 35 5.342 30.264 35.906 1.00 0.00 H new ATOM 0 HB VAL A 35 6.753 29.622 33.331 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.275 31.457 33.987 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.609 32.038 33.752 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.246 31.805 35.397 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.711 29.183 34.897 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.640 29.467 36.289 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.368 28.064 35.229 1.00 0.00 H new ATOM 508 N ASN A 36 3.342 30.014 33.388 1.00 0.00 N ATOM 509 CA ASN A 36 2.210 30.672 32.771 1.00 0.00 C ATOM 510 C ASN A 36 1.303 29.545 32.422 1.00 0.00 C ATOM 511 O ASN A 36 1.538 28.428 32.880 1.00 0.00 O ATOM 512 CB ASN A 36 2.508 31.640 31.584 1.00 0.00 C ATOM 513 CG ASN A 36 3.233 30.944 30.440 1.00 0.00 C ATOM 514 OD1 ASN A 36 2.612 30.606 29.435 1.00 0.00 O ATOM 515 ND2 ASN A 36 4.550 30.684 30.615 1.00 0.00 N ATOM 0 H ASN A 36 3.391 29.016 33.184 1.00 0.00 H new ATOM 0 HA ASN A 36 1.769 31.390 33.462 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.572 32.060 31.216 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.113 32.474 31.941 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.072 30.186 29.894 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.020 30.986 31.468 1.00 0.00 H new ATOM 522 N LEU A 37 0.265 29.841 31.606 1.00 0.00 N ATOM 523 CA LEU A 37 -0.747 28.908 31.185 1.00 0.00 C ATOM 524 C LEU A 37 -1.517 29.610 30.077 1.00 0.00 C ATOM 525 O LEU A 37 -2.745 29.655 30.072 1.00 0.00 O ATOM 526 CB LEU A 37 -1.622 28.363 32.376 1.00 0.00 C ATOM 527 CG LEU A 37 -1.821 29.278 33.626 1.00 0.00 C ATOM 528 CD1 LEU A 37 -2.381 30.681 33.323 1.00 0.00 C ATOM 529 CD2 LEU A 37 -2.638 28.581 34.732 1.00 0.00 C ATOM 0 H LEU A 37 0.125 30.775 31.222 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.314 27.986 30.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.608 28.121 31.981 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.176 27.428 32.716 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.809 29.446 33.995 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.484 31.240 34.253 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.699 31.208 32.656 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.357 30.588 32.846 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.751 29.255 35.581 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.622 28.317 34.345 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.120 27.677 35.053 1.00 0.00 H new ATOM 541 N LYS A 38 -0.763 30.184 29.100 1.00 0.00 N ATOM 542 CA LYS A 38 -1.265 30.755 27.860 1.00 0.00 C ATOM 543 C LYS A 38 -1.265 29.674 26.730 1.00 0.00 C ATOM 544 O LYS A 38 -1.970 29.880 25.710 1.00 0.00 O ATOM 545 CB LYS A 38 -0.409 31.985 27.419 1.00 0.00 C ATOM 546 CG LYS A 38 0.962 31.660 26.793 1.00 0.00 C ATOM 547 CD LYS A 38 0.902 31.491 25.270 1.00 0.00 C ATOM 548 CE LYS A 38 1.654 30.239 24.796 1.00 0.00 C ATOM 549 NZ LYS A 38 1.158 29.774 23.480 1.00 0.00 N ATOM 550 OXT LYS A 38 -0.472 28.697 26.835 1.00 0.00 O ATOM 0 H LYS A 38 0.252 30.255 29.177 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.286 31.094 28.034 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.986 32.566 26.700 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.248 32.622 28.289 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.664 32.457 27.037 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.351 30.745 27.239 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.139 31.429 24.954 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.329 32.372 24.791 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.720 30.457 24.728 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.538 29.443 25.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.687 28.927 23.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.147 29.543 23.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.292 30.525 22.773 1.00 0.00 H new TER 564 LYS A 38