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 Set 1.1: A 5 LYS NZ :NH3+ 176:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 10 SER OG : rot 19:sc= 2.28 USER MOD Single : A 1 GLU N :NH3+ 142:sc= 0.0118 (180deg=-0.215) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= 1.37 (180deg=1.17) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc=-0.00963 X(o=-0.0096,f=0) USER MOD Single : A 15 GLN : amide:sc= 1.07 K(o=1.1,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.818 K(o=0.82,f=-3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 1.05 (180deg=0.511) USER MOD Single : A 32 LYS NZ :NH3+ -115:sc= 1.01 (180deg=-0.0413!) USER MOD Single : A 36 ASN : amide:sc= 0.981 K(o=0.98,f=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0783 (180deg=-0.517) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.238 -0.153 -0.857 1.00 0.00 N ATOM 2 CA GLU A 1 1.695 0.093 -0.970 1.00 0.00 C ATOM 3 C GLU A 1 1.850 1.530 -0.544 1.00 0.00 C ATOM 4 O GLU A 1 0.995 2.009 0.202 1.00 0.00 O ATOM 5 CB GLU A 1 2.151 -0.229 -2.418 1.00 0.00 C ATOM 6 CG GLU A 1 1.392 0.543 -3.514 1.00 0.00 C ATOM 7 CD GLU A 1 1.863 0.061 -4.863 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.398 -1.030 -5.282 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.711 0.773 -5.459 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.073 -0.760 -1.642 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.035 -0.625 0.047 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.271 0.753 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 1 2.331 -0.536 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.215 -0.010 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.030 -1.298 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.318 0.386 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.569 1.614 -3.413 1.00 0.00 H new ATOM 18 N ALA A 2 2.891 2.270 -1.024 1.00 0.00 N ATOM 19 CA ALA A 2 3.148 3.660 -0.674 1.00 0.00 C ATOM 20 C ALA A 2 3.400 4.433 -1.949 1.00 0.00 C ATOM 21 O ALA A 2 4.383 5.170 -2.066 1.00 0.00 O ATOM 22 CB ALA A 2 4.357 3.809 0.288 1.00 0.00 C ATOM 0 H ALA A 2 3.577 1.890 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 2 2.277 4.053 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.509 4.863 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.159 3.260 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.252 3.409 -0.188 1.00 0.00 H new ATOM 28 N TYR A 3 2.461 4.281 -2.916 1.00 0.00 N ATOM 29 CA TYR A 3 2.452 4.695 -4.315 1.00 0.00 C ATOM 30 C TYR A 3 2.334 6.200 -4.522 1.00 0.00 C ATOM 31 O TYR A 3 3.324 6.938 -4.505 1.00 0.00 O ATOM 32 CB TYR A 3 1.337 3.926 -5.149 1.00 0.00 C ATOM 33 CG TYR A 3 -0.097 3.943 -4.601 1.00 0.00 C ATOM 34 CD1 TYR A 3 -0.453 3.476 -3.314 1.00 0.00 C ATOM 35 CD2 TYR A 3 -1.134 4.458 -5.410 1.00 0.00 C ATOM 36 CE1 TYR A 3 -1.753 3.592 -2.824 1.00 0.00 C ATOM 37 CE2 TYR A 3 -2.448 4.562 -4.932 1.00 0.00 C ATOM 38 CZ TYR A 3 -2.745 4.152 -3.626 1.00 0.00 C ATOM 39 OH TYR A 3 -4.037 4.277 -3.085 1.00 0.00 O ATOM 0 H TYR A 3 1.589 3.803 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 3 3.434 4.415 -4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.318 4.348 -6.154 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.647 2.886 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.303 3.017 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.910 4.778 -6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.990 3.249 -1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.227 4.956 -5.568 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.632 4.684 -3.749 1.00 0.00 H new ATOM 49 N LYS A 4 1.081 6.668 -4.713 1.00 0.00 N ATOM 50 CA LYS A 4 0.675 8.011 -5.022 1.00 0.00 C ATOM 51 C LYS A 4 -0.444 8.301 -4.062 1.00 0.00 C ATOM 52 O LYS A 4 -1.579 7.867 -4.243 1.00 0.00 O ATOM 53 CB LYS A 4 0.198 8.156 -6.502 1.00 0.00 C ATOM 54 CG LYS A 4 1.240 8.838 -7.407 1.00 0.00 C ATOM 55 CD LYS A 4 1.361 10.363 -7.203 1.00 0.00 C ATOM 56 CE LYS A 4 0.098 11.139 -7.631 1.00 0.00 C ATOM 57 NZ LYS A 4 0.248 12.604 -7.428 1.00 0.00 N ATOM 0 H LYS A 4 0.277 6.044 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 4 1.504 8.712 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.031 7.168 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.727 8.732 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.213 8.381 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.983 8.642 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.565 10.567 -6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.215 10.732 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.112 10.938 -8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.759 10.780 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.623 13.087 -7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.423 12.799 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.049 12.952 -7.992 1.00 0.00 H new ATOM 71 N LYS A 5 -0.099 9.088 -3.028 1.00 0.00 N ATOM 72 CA LYS A 5 -0.955 9.612 -2.009 1.00 0.00 C ATOM 73 C LYS A 5 -0.076 10.764 -1.619 1.00 0.00 C ATOM 74 O LYS A 5 1.028 10.886 -2.166 1.00 0.00 O ATOM 75 CB LYS A 5 -1.203 8.648 -0.798 1.00 0.00 C ATOM 76 CG LYS A 5 0.020 7.823 -0.310 1.00 0.00 C ATOM 77 CD LYS A 5 -0.033 7.385 1.169 1.00 0.00 C ATOM 78 CE LYS A 5 0.071 8.588 2.130 1.00 0.00 C ATOM 79 NZ LYS A 5 0.228 8.225 3.566 1.00 0.00 N ATOM 0 H LYS A 5 0.868 9.384 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.976 9.825 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.572 9.240 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.997 7.953 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.110 6.933 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.923 8.414 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.964 6.850 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.781 6.688 1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.919 9.203 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.823 9.202 2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.358 9.089 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.622 7.723 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.058 7.609 3.680 1.00 0.00 H new ATOM 93 N ALA A 6 -0.501 11.588 -0.632 1.00 0.00 N ATOM 94 CA ALA A 6 0.286 12.643 -0.019 1.00 0.00 C ATOM 95 C ALA A 6 1.026 12.067 1.169 1.00 0.00 C ATOM 96 O ALA A 6 0.441 11.771 2.207 1.00 0.00 O ATOM 97 CB ALA A 6 -0.588 13.832 0.463 1.00 0.00 C ATOM 0 H ALA A 6 -1.439 11.520 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 6 0.975 13.025 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.049 14.593 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.120 14.260 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.308 13.479 1.201 1.00 0.00 H new ATOM 103 N LYS A 7 2.365 11.878 1.024 1.00 0.00 N ATOM 104 CA LYS A 7 3.256 11.243 1.995 1.00 0.00 C ATOM 105 C LYS A 7 3.801 12.272 2.962 1.00 0.00 C ATOM 106 O LYS A 7 4.277 11.944 4.044 1.00 0.00 O ATOM 107 CB LYS A 7 4.401 10.444 1.290 1.00 0.00 C ATOM 108 CG LYS A 7 3.851 9.216 0.529 1.00 0.00 C ATOM 109 CD LYS A 7 4.868 8.329 -0.229 1.00 0.00 C ATOM 110 CE LYS A 7 4.961 8.633 -1.745 1.00 0.00 C ATOM 111 NZ LYS A 7 5.569 7.514 -2.530 1.00 0.00 N ATOM 0 H LYS A 7 2.860 12.182 0.186 1.00 0.00 H new ATOM 0 HA LYS A 7 2.676 10.518 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.928 11.098 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.128 10.117 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.323 8.586 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.112 9.569 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.853 8.460 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.593 7.283 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.962 8.839 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.553 9.536 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.137 7.479 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.593 7.671 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.400 6.613 -2.038 1.00 0.00 H new ATOM 125 N GLN A 8 3.628 13.569 2.584 1.00 0.00 N ATOM 126 CA GLN A 8 3.927 14.751 3.378 1.00 0.00 C ATOM 127 C GLN A 8 2.802 15.099 4.346 1.00 0.00 C ATOM 128 O GLN A 8 3.019 15.765 5.346 1.00 0.00 O ATOM 129 CB GLN A 8 4.229 15.973 2.459 1.00 0.00 C ATOM 130 CG GLN A 8 3.034 16.477 1.608 1.00 0.00 C ATOM 131 CD GLN A 8 3.501 17.315 0.424 1.00 0.00 C ATOM 132 OE1 GLN A 8 3.278 16.864 -0.694 1.00 0.00 O ATOM 133 NE2 GLN A 8 4.125 18.502 0.624 1.00 0.00 N ATOM 0 H GLN A 8 3.256 13.809 1.665 1.00 0.00 H new ATOM 0 HA GLN A 8 4.812 14.515 3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.582 16.795 3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.045 15.708 1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.459 15.624 1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.366 17.070 2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.290 18.838 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.430 19.059 -0.174 1.00 0.00 H new ATOM 142 N ALA A 9 1.550 14.655 4.062 1.00 0.00 N ATOM 143 CA ALA A 9 0.397 14.755 4.949 1.00 0.00 C ATOM 144 C ALA A 9 0.152 13.410 5.601 1.00 0.00 C ATOM 145 O ALA A 9 -0.583 12.596 5.047 1.00 0.00 O ATOM 146 CB ALA A 9 -0.875 15.204 4.179 1.00 0.00 C ATOM 0 H ALA A 9 1.324 14.205 3.175 1.00 0.00 H new ATOM 0 HA ALA A 9 0.611 15.507 5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.715 15.268 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.701 16.181 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.102 14.479 3.398 1.00 0.00 H new ATOM 152 N SER A 10 0.766 13.076 6.747 1.00 0.00 N ATOM 153 CA SER A 10 0.625 11.772 7.352 1.00 0.00 C ATOM 154 C SER A 10 1.349 12.027 8.631 1.00 0.00 C ATOM 155 O SER A 10 1.803 13.156 8.852 1.00 0.00 O ATOM 156 CB SER A 10 1.275 10.576 6.544 1.00 0.00 C ATOM 157 OG SER A 10 0.515 10.262 5.372 1.00 0.00 O ATOM 0 H SER A 10 1.370 13.712 7.268 1.00 0.00 H new ATOM 0 HA SER A 10 -0.411 11.440 7.427 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.294 10.839 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.340 9.696 7.184 1.00 0.00 H new ATOM 0 HG SER A 10 -0.062 11.021 5.143 1.00 0.00 H new ATOM 163 N GLN A 11 1.567 10.958 9.453 1.00 0.00 N ATOM 164 CA GLN A 11 2.186 10.973 10.772 1.00 0.00 C ATOM 165 C GLN A 11 3.686 11.239 10.767 1.00 0.00 C ATOM 166 O GLN A 11 4.320 11.387 11.810 1.00 0.00 O ATOM 167 CB GLN A 11 1.866 9.697 11.594 1.00 0.00 C ATOM 168 CG GLN A 11 1.956 8.386 10.786 1.00 0.00 C ATOM 169 CD GLN A 11 2.285 7.240 11.731 1.00 0.00 C ATOM 170 OE1 GLN A 11 1.477 6.385 12.078 1.00 0.00 O ATOM 171 NE2 GLN A 11 3.570 7.183 12.155 1.00 0.00 N ATOM 0 H GLN A 11 1.291 10.016 9.176 1.00 0.00 H new ATOM 0 HA GLN A 11 1.726 11.830 11.265 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.554 9.639 12.437 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.862 9.787 12.008 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.012 8.193 10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.723 8.471 10.016 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.236 7.898 11.862 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.872 6.425 12.767 1.00 0.00 H new ATOM 180 N ASP A 12 4.238 11.414 9.538 1.00 0.00 N ATOM 181 CA ASP A 12 5.579 11.844 9.203 1.00 0.00 C ATOM 182 C ASP A 12 5.693 13.360 9.241 1.00 0.00 C ATOM 183 O ASP A 12 6.764 13.915 9.470 1.00 0.00 O ATOM 184 CB ASP A 12 5.950 11.330 7.779 1.00 0.00 C ATOM 185 CG ASP A 12 7.438 11.042 7.703 1.00 0.00 C ATOM 186 OD1 ASP A 12 7.884 10.321 8.632 1.00 0.00 O ATOM 187 OD2 ASP A 12 8.127 11.493 6.754 1.00 0.00 O ATOM 0 H ASP A 12 3.689 11.236 8.697 1.00 0.00 H new ATOM 0 HA ASP A 12 6.267 11.429 9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.384 10.427 7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.677 12.075 7.032 1.00 0.00 H new ATOM 192 N ALA A 13 4.537 14.076 9.100 1.00 0.00 N ATOM 193 CA ALA A 13 4.475 15.517 9.308 1.00 0.00 C ATOM 194 C ALA A 13 3.953 15.815 10.684 1.00 0.00 C ATOM 195 O ALA A 13 4.220 16.887 11.210 1.00 0.00 O ATOM 196 CB ALA A 13 3.593 16.262 8.285 1.00 0.00 C ATOM 0 H ALA A 13 3.644 13.656 8.842 1.00 0.00 H new ATOM 0 HA ALA A 13 5.496 15.875 9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.599 17.329 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.984 16.099 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.572 15.885 8.342 1.00 0.00 H new ATOM 202 N GLU A 14 3.220 14.860 11.316 1.00 0.00 N ATOM 203 CA GLU A 14 2.563 14.988 12.604 1.00 0.00 C ATOM 204 C GLU A 14 3.526 14.793 13.750 1.00 0.00 C ATOM 205 O GLU A 14 3.443 15.482 14.763 1.00 0.00 O ATOM 206 CB GLU A 14 1.471 13.911 12.723 1.00 0.00 C ATOM 207 CG GLU A 14 0.340 14.117 13.743 1.00 0.00 C ATOM 208 CD GLU A 14 -0.621 12.927 13.612 1.00 0.00 C ATOM 209 OE1 GLU A 14 -0.221 11.943 12.931 1.00 0.00 O ATOM 210 OE2 GLU A 14 -1.739 12.994 14.177 1.00 0.00 O ATOM 0 H GLU A 14 3.076 13.939 10.902 1.00 0.00 H new ATOM 0 HA GLU A 14 2.146 15.993 12.660 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.013 13.794 11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.962 12.967 12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.742 14.176 14.755 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.182 15.055 13.552 1.00 0.00 H new ATOM 217 N GLN A 15 4.496 13.838 13.600 1.00 0.00 N ATOM 218 CA GLN A 15 5.466 13.499 14.643 1.00 0.00 C ATOM 219 C GLN A 15 6.652 14.450 14.645 1.00 0.00 C ATOM 220 O GLN A 15 7.144 14.859 15.699 1.00 0.00 O ATOM 221 CB GLN A 15 5.939 12.019 14.553 1.00 0.00 C ATOM 222 CG GLN A 15 6.034 11.281 15.901 1.00 0.00 C ATOM 223 CD GLN A 15 7.339 11.560 16.636 1.00 0.00 C ATOM 224 OE1 GLN A 15 8.349 10.920 16.370 1.00 0.00 O ATOM 225 NE2 GLN A 15 7.321 12.496 17.609 1.00 0.00 N ATOM 0 H GLN A 15 4.611 13.293 12.745 1.00 0.00 H new ATOM 0 HA GLN A 15 4.945 13.615 15.593 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.253 11.473 13.905 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.918 11.995 14.073 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.196 11.577 16.532 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.941 10.209 15.730 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.463 13.011 17.805 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.166 12.688 18.148 1.00 0.00 H new ATOM 234 N ALA A 16 7.061 14.927 13.438 1.00 0.00 N ATOM 235 CA ALA A 16 8.184 15.824 13.182 1.00 0.00 C ATOM 236 C ALA A 16 7.838 17.273 13.490 1.00 0.00 C ATOM 237 O ALA A 16 8.698 18.147 13.564 1.00 0.00 O ATOM 238 CB ALA A 16 8.633 15.719 11.698 1.00 0.00 C ATOM 0 H ALA A 16 6.576 14.671 12.578 1.00 0.00 H new ATOM 0 HA ALA A 16 8.994 15.514 13.842 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.471 16.394 11.523 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.940 14.696 11.482 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.803 15.994 11.047 1.00 0.00 H new ATOM 244 N ALA A 17 6.521 17.524 13.701 1.00 0.00 N ATOM 245 CA ALA A 17 5.939 18.740 14.229 1.00 0.00 C ATOM 246 C ALA A 17 5.802 18.711 15.738 1.00 0.00 C ATOM 247 O ALA A 17 5.650 19.753 16.371 1.00 0.00 O ATOM 248 CB ALA A 17 4.547 19.000 13.600 1.00 0.00 C ATOM 0 H ALA A 17 5.810 16.825 13.487 1.00 0.00 H new ATOM 0 HA ALA A 17 6.624 19.546 13.966 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.128 19.919 14.011 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.649 19.099 12.519 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.884 18.165 13.827 1.00 0.00 H new ATOM 254 N LYS A 18 5.858 17.494 16.351 1.00 0.00 N ATOM 255 CA LYS A 18 5.644 17.289 17.772 1.00 0.00 C ATOM 256 C LYS A 18 6.965 17.395 18.492 1.00 0.00 C ATOM 257 O LYS A 18 7.084 18.107 19.476 1.00 0.00 O ATOM 258 CB LYS A 18 4.946 15.945 18.110 1.00 0.00 C ATOM 259 CG LYS A 18 4.327 15.947 19.521 1.00 0.00 C ATOM 260 CD LYS A 18 4.421 14.604 20.243 1.00 0.00 C ATOM 261 CE LYS A 18 3.882 14.698 21.678 1.00 0.00 C ATOM 262 NZ LYS A 18 4.024 13.388 22.349 1.00 0.00 N ATOM 0 H LYS A 18 6.057 16.631 15.845 1.00 0.00 H new ATOM 0 HA LYS A 18 4.961 18.069 18.110 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.167 15.748 17.374 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.669 15.133 18.034 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.824 16.707 20.123 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.278 16.235 19.446 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.858 13.852 19.690 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.459 14.273 20.264 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.427 15.463 22.232 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.835 14.999 21.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.658 13.454 23.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.486 12.669 21.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.028 13.118 22.375 1.00 0.00 H new ATOM 276 N ASP A 19 8.048 16.774 17.950 1.00 0.00 N ATOM 277 CA ASP A 19 9.395 16.866 18.528 1.00 0.00 C ATOM 278 C ASP A 19 10.159 18.052 17.950 1.00 0.00 C ATOM 279 O ASP A 19 11.369 18.185 18.109 1.00 0.00 O ATOM 280 CB ASP A 19 10.216 15.535 18.473 1.00 0.00 C ATOM 281 CG ASP A 19 9.678 14.568 19.541 1.00 0.00 C ATOM 282 OD1 ASP A 19 9.617 14.974 20.735 1.00 0.00 O ATOM 283 OD2 ASP A 19 9.300 13.415 19.196 1.00 0.00 O ATOM 0 H ASP A 19 8.001 16.202 17.106 1.00 0.00 H new ATOM 0 HA ASP A 19 9.252 17.045 19.594 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.136 15.085 17.484 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.273 15.737 18.647 1.00 0.00 H new ATOM 288 N ALA A 20 9.396 18.983 17.315 1.00 0.00 N ATOM 289 CA ALA A 20 9.746 20.343 16.954 1.00 0.00 C ATOM 290 C ALA A 20 9.395 21.357 18.031 1.00 0.00 C ATOM 291 O ALA A 20 10.147 22.317 18.201 1.00 0.00 O ATOM 292 CB ALA A 20 9.060 20.799 15.648 1.00 0.00 C ATOM 0 H ALA A 20 8.443 18.760 17.028 1.00 0.00 H new ATOM 0 HA ALA A 20 10.828 20.314 16.822 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.354 21.824 15.421 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.363 20.145 14.830 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.978 20.751 15.769 1.00 0.00 H new ATOM 298 N GLU A 21 8.237 21.174 18.768 1.00 0.00 N ATOM 299 CA GLU A 21 7.728 22.087 19.814 1.00 0.00 C ATOM 300 C GLU A 21 8.424 21.820 21.127 1.00 0.00 C ATOM 301 O GLU A 21 8.596 22.688 21.983 1.00 0.00 O ATOM 302 CB GLU A 21 6.171 21.991 20.122 1.00 0.00 C ATOM 303 CG GLU A 21 5.650 20.772 20.965 1.00 0.00 C ATOM 304 CD GLU A 21 4.219 20.909 21.469 1.00 0.00 C ATOM 305 OE1 GLU A 21 3.925 21.888 22.218 1.00 0.00 O ATOM 306 OE2 GLU A 21 3.419 19.986 21.166 1.00 0.00 O ATOM 0 H GLU A 21 7.634 20.363 18.631 1.00 0.00 H new ATOM 0 HA GLU A 21 7.929 23.076 19.402 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.879 22.903 20.642 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.644 21.985 19.168 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.721 19.871 20.356 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.310 20.632 21.821 1.00 0.00 H new ATOM 313 N ASN A 22 8.814 20.523 21.282 1.00 0.00 N ATOM 314 CA ASN A 22 9.167 19.825 22.517 1.00 0.00 C ATOM 315 C ASN A 22 10.449 20.340 23.124 1.00 0.00 C ATOM 316 O ASN A 22 10.630 20.298 24.333 1.00 0.00 O ATOM 317 CB ASN A 22 9.264 18.271 22.313 1.00 0.00 C ATOM 318 CG ASN A 22 7.877 17.616 22.371 1.00 0.00 C ATOM 319 OD1 ASN A 22 6.913 18.253 22.789 1.00 0.00 O ATOM 320 ND2 ASN A 22 7.748 16.322 21.991 1.00 0.00 N ATOM 0 H ASN A 22 8.890 19.905 20.474 1.00 0.00 H new ATOM 0 HA ASN A 22 8.354 20.032 23.212 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.731 18.056 21.352 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.905 17.840 23.082 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.840 15.861 22.050 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.559 15.808 21.646 1.00 0.00 H new ATOM 327 N ALA A 23 11.315 20.964 22.284 1.00 0.00 N ATOM 328 CA ALA A 23 12.554 21.609 22.691 1.00 0.00 C ATOM 329 C ALA A 23 12.321 23.003 23.262 1.00 0.00 C ATOM 330 O ALA A 23 13.035 23.435 24.160 1.00 0.00 O ATOM 331 CB ALA A 23 13.575 21.697 21.526 1.00 0.00 C ATOM 0 H ALA A 23 11.150 21.024 21.279 1.00 0.00 H new ATOM 0 HA ALA A 23 12.969 20.977 23.476 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.485 22.186 21.875 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.814 20.693 21.175 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.145 22.274 20.708 1.00 0.00 H new ATOM 337 N SER A 24 11.270 23.732 22.788 1.00 0.00 N ATOM 338 CA SER A 24 10.864 25.054 23.251 1.00 0.00 C ATOM 339 C SER A 24 9.863 24.980 24.376 1.00 0.00 C ATOM 340 O SER A 24 9.638 25.964 25.068 1.00 0.00 O ATOM 341 CB SER A 24 10.286 25.942 22.118 1.00 0.00 C ATOM 342 OG SER A 24 11.207 26.008 21.034 1.00 0.00 O ATOM 0 H SER A 24 10.670 23.382 22.041 1.00 0.00 H new ATOM 0 HA SER A 24 11.781 25.517 23.616 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.335 25.534 21.774 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.085 26.944 22.497 1.00 0.00 H new ATOM 0 HG SER A 24 10.834 26.569 20.322 1.00 0.00 H new ATOM 348 N LYS A 25 9.273 23.771 24.619 1.00 0.00 N ATOM 349 CA LYS A 25 8.520 23.416 25.817 1.00 0.00 C ATOM 350 C LYS A 25 9.422 23.235 27.022 1.00 0.00 C ATOM 351 O LYS A 25 9.132 23.749 28.100 1.00 0.00 O ATOM 352 CB LYS A 25 7.714 22.100 25.603 1.00 0.00 C ATOM 353 CG LYS A 25 6.366 22.312 24.912 1.00 0.00 C ATOM 354 CD LYS A 25 5.440 23.131 25.821 1.00 0.00 C ATOM 355 CE LYS A 25 3.963 23.150 25.424 1.00 0.00 C ATOM 356 NZ LYS A 25 3.822 23.633 24.036 1.00 0.00 N ATOM 0 H LYS A 25 9.323 23.004 23.949 1.00 0.00 H new ATOM 0 HA LYS A 25 7.837 24.245 26.005 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.313 21.410 25.009 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.546 21.625 26.570 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.510 22.829 23.964 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.908 21.349 24.684 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.519 22.740 26.835 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.803 24.158 25.846 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.540 22.149 25.515 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.404 23.795 26.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.829 23.885 23.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.423 24.470 23.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.114 22.884 23.376 1.00 0.00 H new ATOM 370 N GLU A 26 10.585 22.554 26.792 1.00 0.00 N ATOM 371 CA GLU A 26 11.707 22.464 27.730 1.00 0.00 C ATOM 372 C GLU A 26 12.460 23.784 27.870 1.00 0.00 C ATOM 373 O GLU A 26 12.506 24.376 28.946 1.00 0.00 O ATOM 374 CB GLU A 26 12.740 21.361 27.335 1.00 0.00 C ATOM 375 CG GLU A 26 12.164 19.929 27.224 1.00 0.00 C ATOM 376 CD GLU A 26 13.219 18.989 26.606 1.00 0.00 C ATOM 377 OE1 GLU A 26 13.840 19.428 25.598 1.00 0.00 O ATOM 378 OE2 GLU A 26 13.441 17.862 27.133 1.00 0.00 O ATOM 0 H GLU A 26 10.755 22.047 25.924 1.00 0.00 H new ATOM 0 HA GLU A 26 11.245 22.202 28.682 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.188 21.631 26.378 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.543 21.357 28.072 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.873 19.566 28.210 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.264 19.936 26.609 1.00 0.00 H new ATOM 385 N ALA A 27 13.024 24.336 26.758 1.00 0.00 N ATOM 386 CA ALA A 27 13.820 25.555 26.753 1.00 0.00 C ATOM 387 C ALA A 27 12.973 26.804 26.545 1.00 0.00 C ATOM 388 O ALA A 27 13.358 27.731 25.832 1.00 0.00 O ATOM 389 CB ALA A 27 14.966 25.507 25.711 1.00 0.00 C ATOM 0 H ALA A 27 12.924 23.922 25.831 1.00 0.00 H new ATOM 0 HA ALA A 27 14.267 25.615 27.745 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.530 26.439 25.747 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.630 24.673 25.938 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.546 25.375 24.714 1.00 0.00 H new ATOM 395 N GLU A 28 11.824 26.848 27.286 1.00 0.00 N ATOM 396 CA GLU A 28 10.917 27.950 27.574 1.00 0.00 C ATOM 397 C GLU A 28 11.384 28.631 28.836 1.00 0.00 C ATOM 398 O GLU A 28 11.296 29.854 28.970 1.00 0.00 O ATOM 399 CB GLU A 28 9.451 27.475 27.915 1.00 0.00 C ATOM 400 CG GLU A 28 8.376 28.600 28.020 1.00 0.00 C ATOM 401 CD GLU A 28 7.247 28.157 28.949 1.00 0.00 C ATOM 402 OE1 GLU A 28 6.370 27.355 28.545 1.00 0.00 O ATOM 403 OE2 GLU A 28 7.279 28.589 30.135 1.00 0.00 O ATOM 0 H GLU A 28 11.493 25.997 27.740 1.00 0.00 H new ATOM 0 HA GLU A 28 10.913 28.580 26.685 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.133 26.766 27.151 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.476 26.934 28.861 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.831 29.516 28.398 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.977 28.827 27.031 1.00 0.00 H new ATOM 410 N GLU A 29 11.839 27.792 29.826 1.00 0.00 N ATOM 411 CA GLU A 29 11.803 27.985 31.282 1.00 0.00 C ATOM 412 C GLU A 29 12.690 29.099 31.820 1.00 0.00 C ATOM 413 O GLU A 29 12.587 29.496 32.978 1.00 0.00 O ATOM 414 CB GLU A 29 12.072 26.634 32.064 1.00 0.00 C ATOM 415 CG GLU A 29 11.839 26.643 33.609 1.00 0.00 C ATOM 416 CD GLU A 29 11.888 25.240 34.238 1.00 0.00 C ATOM 417 OE1 GLU A 29 12.998 24.791 34.630 1.00 0.00 O ATOM 418 OE2 GLU A 29 10.794 24.622 34.357 1.00 0.00 O ATOM 0 H GLU A 29 12.270 26.899 29.586 1.00 0.00 H new ATOM 0 HA GLU A 29 10.782 28.317 31.471 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.437 25.861 31.631 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.105 26.337 31.880 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.595 27.272 34.080 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.870 27.095 33.821 1.00 0.00 H new ATOM 425 N ALA A 30 13.569 29.681 30.962 1.00 0.00 N ATOM 426 CA ALA A 30 14.383 30.854 31.271 1.00 0.00 C ATOM 427 C ALA A 30 13.673 32.152 30.905 1.00 0.00 C ATOM 428 O ALA A 30 13.993 33.216 31.435 1.00 0.00 O ATOM 429 CB ALA A 30 15.759 30.821 30.558 1.00 0.00 C ATOM 0 H ALA A 30 13.724 29.328 30.018 1.00 0.00 H new ATOM 0 HA ALA A 30 14.543 30.822 32.349 1.00 0.00 H new ATOM 0 HB1 ALA A 30 16.326 31.714 30.820 1.00 0.00 H new ATOM 0 HB2 ALA A 30 16.311 29.935 30.873 1.00 0.00 H new ATOM 0 HB3 ALA A 30 15.609 30.790 29.479 1.00 0.00 H new ATOM 435 N ALA A 31 12.698 32.081 29.955 1.00 0.00 N ATOM 436 CA ALA A 31 11.778 33.151 29.591 1.00 0.00 C ATOM 437 C ALA A 31 10.507 33.056 30.412 1.00 0.00 C ATOM 438 O ALA A 31 10.220 33.904 31.255 1.00 0.00 O ATOM 439 CB ALA A 31 11.437 33.146 28.076 1.00 0.00 C ATOM 0 H ALA A 31 12.541 31.233 29.410 1.00 0.00 H new ATOM 0 HA ALA A 31 12.281 34.094 29.808 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.749 33.962 27.855 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.351 33.276 27.497 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.972 32.197 27.811 1.00 0.00 H new ATOM 445 N LYS A 32 9.726 31.972 30.154 1.00 0.00 N ATOM 446 CA LYS A 32 8.470 31.600 30.797 1.00 0.00 C ATOM 447 C LYS A 32 7.260 32.326 30.215 1.00 0.00 C ATOM 448 O LYS A 32 6.595 33.127 30.870 1.00 0.00 O ATOM 449 CB LYS A 32 8.475 31.592 32.365 1.00 0.00 C ATOM 450 CG LYS A 32 7.618 30.472 33.009 1.00 0.00 C ATOM 451 CD LYS A 32 8.374 29.133 33.053 1.00 0.00 C ATOM 452 CE LYS A 32 7.565 27.864 33.397 1.00 0.00 C ATOM 453 NZ LYS A 32 6.607 27.498 32.314 1.00 0.00 N ATOM 0 H LYS A 32 9.992 31.297 29.437 1.00 0.00 H new ATOM 0 HA LYS A 32 8.367 30.546 30.538 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.503 31.489 32.711 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.114 32.557 32.721 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.337 30.765 34.021 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.694 30.350 32.444 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.841 28.979 32.080 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.179 29.226 33.782 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.250 27.034 33.570 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.017 28.024 34.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.633 27.589 32.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.742 28.134 31.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.777 26.516 32.017 1.00 0.00 H new ATOM 467 N GLU A 33 6.886 32.043 28.940 1.00 0.00 N ATOM 468 CA GLU A 33 5.919 32.791 28.126 1.00 0.00 C ATOM 469 C GLU A 33 4.465 32.382 28.330 1.00 0.00 C ATOM 470 O GLU A 33 3.632 32.380 27.426 1.00 0.00 O ATOM 471 CB GLU A 33 6.307 32.718 26.638 1.00 0.00 C ATOM 472 CG GLU A 33 7.594 33.526 26.376 1.00 0.00 C ATOM 473 CD GLU A 33 8.333 32.899 25.222 1.00 0.00 C ATOM 474 OE1 GLU A 33 8.969 31.856 25.524 1.00 0.00 O ATOM 475 OE2 GLU A 33 8.274 33.423 24.072 1.00 0.00 O ATOM 0 H GLU A 33 7.275 31.246 28.436 1.00 0.00 H new ATOM 0 HA GLU A 33 5.973 33.822 28.474 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.457 31.679 26.346 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.495 33.108 26.025 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.349 34.563 26.148 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.222 33.535 27.267 1.00 0.00 H new ATOM 482 N ALA A 34 4.167 32.064 29.608 1.00 0.00 N ATOM 483 CA ALA A 34 2.908 32.162 30.309 1.00 0.00 C ATOM 484 C ALA A 34 2.822 33.513 30.997 1.00 0.00 C ATOM 485 O ALA A 34 1.756 34.116 31.079 1.00 0.00 O ATOM 486 CB ALA A 34 2.744 31.032 31.361 1.00 0.00 C ATOM 0 H ALA A 34 4.893 31.695 30.222 1.00 0.00 H new ATOM 0 HA ALA A 34 2.106 32.056 29.579 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.784 31.142 31.866 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.784 30.063 30.863 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.549 31.097 32.093 1.00 0.00 H new ATOM 492 N VAL A 35 3.973 34.003 31.549 1.00 0.00 N ATOM 493 CA VAL A 35 4.033 35.096 32.512 1.00 0.00 C ATOM 494 C VAL A 35 4.810 36.254 31.911 1.00 0.00 C ATOM 495 O VAL A 35 5.147 37.225 32.586 1.00 0.00 O ATOM 496 CB VAL A 35 4.586 34.650 33.877 1.00 0.00 C ATOM 497 CG1 VAL A 35 3.556 33.699 34.522 1.00 0.00 C ATOM 498 CG2 VAL A 35 5.952 33.926 33.775 1.00 0.00 C ATOM 0 H VAL A 35 4.892 33.626 31.318 1.00 0.00 H new ATOM 0 HA VAL A 35 3.018 35.435 32.719 1.00 0.00 H new ATOM 0 HB VAL A 35 4.749 35.544 34.479 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.925 33.368 35.493 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.609 34.223 34.653 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.406 32.834 33.876 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.286 33.638 34.772 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.846 33.035 33.156 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.686 34.595 33.326 1.00 0.00 H new ATOM 508 N ASN A 36 5.069 36.172 30.586 1.00 0.00 N ATOM 509 CA ASN A 36 5.613 37.208 29.745 1.00 0.00 C ATOM 510 C ASN A 36 4.820 36.920 28.501 1.00 0.00 C ATOM 511 O ASN A 36 4.506 35.756 28.273 1.00 0.00 O ATOM 512 CB ASN A 36 7.154 37.094 29.466 1.00 0.00 C ATOM 513 CG ASN A 36 7.604 38.241 28.544 1.00 0.00 C ATOM 514 OD1 ASN A 36 7.001 39.309 28.623 1.00 0.00 O ATOM 515 ND2 ASN A 36 8.570 38.037 27.621 1.00 0.00 N ATOM 0 H ASN A 36 4.884 35.316 30.063 1.00 0.00 H new ATOM 0 HA ASN A 36 5.535 38.207 30.174 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.706 37.132 30.405 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.379 36.133 29.003 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.815 38.780 26.967 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.054 37.140 27.579 1.00 0.00 H new ATOM 522 N LEU A 37 4.508 37.976 27.721 1.00 0.00 N ATOM 523 CA LEU A 37 3.787 37.952 26.471 1.00 0.00 C ATOM 524 C LEU A 37 4.210 39.271 25.847 1.00 0.00 C ATOM 525 O LEU A 37 3.384 40.012 25.318 1.00 0.00 O ATOM 526 CB LEU A 37 2.212 37.884 26.628 1.00 0.00 C ATOM 527 CG LEU A 37 1.494 36.543 26.290 1.00 0.00 C ATOM 528 CD1 LEU A 37 1.854 36.005 24.891 1.00 0.00 C ATOM 529 CD2 LEU A 37 1.588 35.435 27.358 1.00 0.00 C ATOM 0 H LEU A 37 4.780 38.923 27.983 1.00 0.00 H new ATOM 0 HA LEU A 37 4.016 37.062 25.885 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.969 38.141 27.659 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.781 38.661 25.996 1.00 0.00 H new ATOM 0 HG LEU A 37 0.443 36.831 26.287 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.323 35.070 24.713 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.565 36.735 24.135 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.928 35.829 24.834 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.052 34.551 27.013 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.634 35.182 27.528 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.144 35.788 28.289 1.00 0.00 H new ATOM 541 N LYS A 38 5.514 39.634 25.929 1.00 0.00 N ATOM 542 CA LYS A 38 6.031 40.868 25.383 1.00 0.00 C ATOM 543 C LYS A 38 7.472 40.570 24.973 1.00 0.00 C ATOM 544 O LYS A 38 8.086 39.647 25.571 1.00 0.00 O ATOM 545 CB LYS A 38 6.124 42.038 26.398 1.00 0.00 C ATOM 546 CG LYS A 38 4.804 42.776 26.629 1.00 0.00 C ATOM 547 CD LYS A 38 4.967 43.996 27.548 1.00 0.00 C ATOM 548 CE LYS A 38 3.807 44.998 27.475 1.00 0.00 C ATOM 549 NZ LYS A 38 3.672 45.534 26.095 1.00 0.00 N ATOM 550 OXT LYS A 38 7.999 41.332 24.122 1.00 0.00 O ATOM 0 H LYS A 38 6.224 39.060 26.383 1.00 0.00 H new ATOM 0 HA LYS A 38 5.356 41.176 24.585 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.481 41.649 27.352 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.869 42.751 26.045 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.399 43.099 25.670 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.079 42.090 27.066 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.070 43.651 28.577 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.893 44.510 27.290 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.879 44.512 27.776 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.980 45.816 28.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.154 46.436 26.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.617 45.689 25.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.150 44.853 25.507 1.00 0.00 H new TER 564 LYS A 38