USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 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 GLY N :NH3+ 140:sc= 0.0064 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.0808 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.11 K(o=-2.1,f=-4.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -130:sc= -0.488 USER MOD Single : A 28 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.6!) USER MOD Single : A 29 ASN :FLIP amide:sc= -2.66! C(o=-3.7!,f=-2.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -130:sc= -0.0399 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 177:sc= -0.531 (180deg=-0.576) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00787 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 110:sc= 0.0955 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.385 29.156 17.866 1.00 0.00 N ATOM 2 CA GLY A 1 6.239 28.268 16.728 1.00 0.00 C ATOM 3 C GLY A 1 4.913 27.533 16.733 1.00 0.00 C ATOM 4 O GLY A 1 4.455 27.072 17.778 1.00 0.00 O ATOM 0 H1 GLY A 1 7.360 29.104 18.224 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.174 30.132 17.574 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.725 28.869 18.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.328 28.845 15.807 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.053 27.543 16.730 1.00 0.00 H new ATOM 8 N SER A 2 4.294 27.424 15.562 1.00 0.00 N ATOM 9 CA SER A 2 3.010 26.744 15.436 1.00 0.00 C ATOM 10 C SER A 2 3.152 25.460 14.624 1.00 0.00 C ATOM 11 O SER A 2 3.604 25.484 13.479 1.00 0.00 O ATOM 12 CB SER A 2 1.983 27.667 14.776 1.00 0.00 C ATOM 13 OG SER A 2 0.663 27.206 15.003 1.00 0.00 O ATOM 0 H SER A 2 4.661 27.798 14.687 1.00 0.00 H new ATOM 0 HA SER A 2 2.665 26.484 16.437 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.091 28.677 15.170 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.174 27.721 13.704 1.00 0.00 H new ATOM 0 HG SER A 2 0.026 27.814 14.573 1.00 0.00 H new ATOM 19 N SER A 3 2.763 24.341 15.226 1.00 0.00 N ATOM 20 CA SER A 3 2.850 23.046 14.561 1.00 0.00 C ATOM 21 C SER A 3 1.518 22.676 13.916 1.00 0.00 C ATOM 22 O SER A 3 1.416 22.566 12.695 1.00 0.00 O ATOM 23 CB SER A 3 3.263 21.963 15.560 1.00 0.00 C ATOM 24 OG SER A 3 4.614 22.125 15.956 1.00 0.00 O ATOM 0 H SER A 3 2.385 24.305 16.173 1.00 0.00 H new ATOM 0 HA SER A 3 3.606 23.117 13.779 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.616 22.006 16.436 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.127 20.979 15.111 1.00 0.00 H new ATOM 0 HG SER A 3 4.854 21.422 16.596 1.00 0.00 H new ATOM 30 N GLY A 4 0.497 22.486 14.746 1.00 0.00 N ATOM 31 CA GLY A 4 -0.816 22.130 14.240 1.00 0.00 C ATOM 32 C GLY A 4 -0.756 21.033 13.195 1.00 0.00 C ATOM 33 O GLY A 4 -0.945 21.289 12.006 1.00 0.00 O ATOM 0 H GLY A 4 0.556 22.572 15.761 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.445 21.805 15.068 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.288 23.013 13.809 1.00 0.00 H new ATOM 37 N SER A 5 -0.491 19.809 13.639 1.00 0.00 N ATOM 38 CA SER A 5 -0.401 18.670 12.733 1.00 0.00 C ATOM 39 C SER A 5 -1.507 18.722 11.683 1.00 0.00 C ATOM 40 O SER A 5 -2.615 18.236 11.908 1.00 0.00 O ATOM 41 CB SER A 5 -0.488 17.359 13.517 1.00 0.00 C ATOM 42 OG SER A 5 -1.512 17.417 14.495 1.00 0.00 O ATOM 0 H SER A 5 -0.335 19.580 14.621 1.00 0.00 H new ATOM 0 HA SER A 5 0.562 18.718 12.224 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.682 16.534 12.832 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.468 17.155 13.999 1.00 0.00 H new ATOM 0 HG SER A 5 -2.346 17.718 14.078 1.00 0.00 H new ATOM 48 N SER A 6 -1.197 19.316 10.535 1.00 0.00 N ATOM 49 CA SER A 6 -2.165 19.437 9.451 1.00 0.00 C ATOM 50 C SER A 6 -2.620 18.061 8.974 1.00 0.00 C ATOM 51 O SER A 6 -1.881 17.082 9.071 1.00 0.00 O ATOM 52 CB SER A 6 -1.560 20.220 8.284 1.00 0.00 C ATOM 53 OG SER A 6 -2.452 20.264 7.183 1.00 0.00 O ATOM 0 H SER A 6 -0.283 19.721 10.332 1.00 0.00 H new ATOM 0 HA SER A 6 -3.033 19.977 9.830 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.324 21.234 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.622 19.756 7.978 1.00 0.00 H new ATOM 0 HG SER A 6 -2.043 20.771 6.451 1.00 0.00 H new ATOM 59 N GLY A 7 -3.843 17.995 8.457 1.00 0.00 N ATOM 60 CA GLY A 7 -4.377 16.736 7.972 1.00 0.00 C ATOM 61 C GLY A 7 -5.535 16.928 7.013 1.00 0.00 C ATOM 62 O GLY A 7 -6.703 16.853 7.395 1.00 0.00 O ATOM 0 H GLY A 7 -4.474 18.791 8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.585 16.177 7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.707 16.134 8.819 1.00 0.00 H new ATOM 66 N PRO A 8 -5.216 17.184 5.736 1.00 0.00 N ATOM 67 CA PRO A 8 -6.225 17.394 4.694 1.00 0.00 C ATOM 68 C PRO A 8 -6.980 16.113 4.351 1.00 0.00 C ATOM 69 O PRO A 8 -6.690 15.046 4.893 1.00 0.00 O ATOM 70 CB PRO A 8 -5.403 17.867 3.493 1.00 0.00 C ATOM 71 CG PRO A 8 -4.042 17.303 3.720 1.00 0.00 C ATOM 72 CD PRO A 8 -3.844 17.287 5.210 1.00 0.00 C ATOM 0 HA PRO A 8 -6.993 18.102 5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.829 17.509 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.376 18.955 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.962 16.298 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.281 17.912 3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.229 16.444 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.347 18.192 5.559 1.00 0.00 H new ATOM 80 N THR A 9 -7.949 16.227 3.448 1.00 0.00 N ATOM 81 CA THR A 9 -8.745 15.079 3.034 1.00 0.00 C ATOM 82 C THR A 9 -8.352 14.612 1.637 1.00 0.00 C ATOM 83 O THR A 9 -7.593 15.283 0.937 1.00 0.00 O ATOM 84 CB THR A 9 -10.251 15.404 3.050 1.00 0.00 C ATOM 85 OG1 THR A 9 -11.004 14.257 2.641 1.00 0.00 O ATOM 86 CG2 THR A 9 -10.561 16.575 2.131 1.00 0.00 C ATOM 0 H THR A 9 -8.201 17.103 2.990 1.00 0.00 H new ATOM 0 HA THR A 9 -8.545 14.282 3.750 1.00 0.00 H new ATOM 0 HB THR A 9 -10.531 15.677 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.960 14.471 2.656 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.630 16.786 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.009 17.454 2.463 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.267 16.325 1.112 1.00 0.00 H new ATOM 94 N LYS A 10 -8.874 13.458 1.235 1.00 0.00 N ATOM 95 CA LYS A 10 -8.580 12.902 -0.081 1.00 0.00 C ATOM 96 C LYS A 10 -9.801 12.191 -0.656 1.00 0.00 C ATOM 97 O LYS A 10 -10.739 11.861 0.070 1.00 0.00 O ATOM 98 CB LYS A 10 -7.404 11.928 0.006 1.00 0.00 C ATOM 99 CG LYS A 10 -6.132 12.556 0.550 1.00 0.00 C ATOM 100 CD LYS A 10 -5.490 13.485 -0.467 1.00 0.00 C ATOM 101 CE LYS A 10 -4.670 14.572 0.211 1.00 0.00 C ATOM 102 NZ LYS A 10 -4.296 15.657 -0.738 1.00 0.00 N ATOM 0 H LYS A 10 -9.503 12.889 1.802 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.314 13.725 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.685 11.088 0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.204 11.524 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.360 13.112 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.426 11.772 0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.850 12.908 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.264 13.943 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.240 14.994 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.767 14.134 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.738 16.378 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.731 15.259 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.158 16.092 -1.125 1.00 0.00 H new ATOM 116 N TYR A 11 -9.782 11.958 -1.964 1.00 0.00 N ATOM 117 CA TYR A 11 -10.888 11.287 -2.636 1.00 0.00 C ATOM 118 C TYR A 11 -11.130 9.904 -2.040 1.00 0.00 C ATOM 119 O TYR A 11 -12.134 9.671 -1.367 1.00 0.00 O ATOM 120 CB TYR A 11 -10.604 11.167 -4.134 1.00 0.00 C ATOM 121 CG TYR A 11 -9.979 12.406 -4.733 1.00 0.00 C ATOM 122 CD1 TYR A 11 -8.599 12.574 -4.748 1.00 0.00 C ATOM 123 CD2 TYR A 11 -10.767 13.408 -5.285 1.00 0.00 C ATOM 124 CE1 TYR A 11 -8.024 13.705 -5.294 1.00 0.00 C ATOM 125 CE2 TYR A 11 -10.200 14.542 -5.835 1.00 0.00 C ATOM 126 CZ TYR A 11 -8.828 14.686 -5.836 1.00 0.00 C ATOM 127 OH TYR A 11 -8.258 15.814 -6.382 1.00 0.00 O ATOM 0 H TYR A 11 -9.013 12.224 -2.579 1.00 0.00 H new ATOM 0 HA TYR A 11 -11.786 11.887 -2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.941 10.318 -4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.536 10.952 -4.656 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.966 11.807 -4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.841 13.299 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.950 13.821 -5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -10.827 15.311 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.962 16.405 -6.721 1.00 0.00 H new ATOM 137 N LYS A 12 -10.201 8.988 -2.292 1.00 0.00 N ATOM 138 CA LYS A 12 -10.309 7.627 -1.780 1.00 0.00 C ATOM 139 C LYS A 12 -9.294 7.382 -0.668 1.00 0.00 C ATOM 140 O LYS A 12 -8.104 7.652 -0.831 1.00 0.00 O ATOM 141 CB LYS A 12 -10.096 6.617 -2.910 1.00 0.00 C ATOM 142 CG LYS A 12 -11.247 6.561 -3.900 1.00 0.00 C ATOM 143 CD LYS A 12 -12.428 5.787 -3.340 1.00 0.00 C ATOM 144 CE LYS A 12 -13.557 5.683 -4.353 1.00 0.00 C ATOM 145 NZ LYS A 12 -14.870 5.433 -3.697 1.00 0.00 N ATOM 0 H LYS A 12 -9.364 9.164 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.310 7.498 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.180 6.870 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.950 5.627 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.561 7.574 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.910 6.093 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.105 4.787 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.792 6.279 -2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.610 6.604 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.342 4.877 -5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.613 5.369 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.828 4.541 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.087 6.215 -3.046 1.00 0.00 H new ATOM 159 N GLU A 13 -9.772 6.868 0.461 1.00 0.00 N ATOM 160 CA GLU A 13 -8.906 6.586 1.599 1.00 0.00 C ATOM 161 C GLU A 13 -8.883 5.093 1.910 1.00 0.00 C ATOM 162 O GLU A 13 -9.923 4.486 2.169 1.00 0.00 O ATOM 163 CB GLU A 13 -9.372 7.368 2.829 1.00 0.00 C ATOM 164 CG GLU A 13 -9.008 8.842 2.788 1.00 0.00 C ATOM 165 CD GLU A 13 -7.557 9.095 3.148 1.00 0.00 C ATOM 166 OE1 GLU A 13 -6.688 8.920 2.267 1.00 0.00 O ATOM 167 OE2 GLU A 13 -7.289 9.468 4.309 1.00 0.00 O ATOM 0 H GLU A 13 -10.754 6.639 0.612 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.895 6.900 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.454 7.272 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.935 6.919 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.204 9.233 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.650 9.390 3.477 1.00 0.00 H new ATOM 174 N ARG A 14 -7.691 4.506 1.882 1.00 0.00 N ATOM 175 CA ARG A 14 -7.533 3.083 2.158 1.00 0.00 C ATOM 176 C ARG A 14 -8.224 2.703 3.465 1.00 0.00 C ATOM 177 O ARG A 14 -8.475 3.556 4.316 1.00 0.00 O ATOM 178 CB ARG A 14 -6.049 2.717 2.228 1.00 0.00 C ATOM 179 CG ARG A 14 -5.294 2.989 0.938 1.00 0.00 C ATOM 180 CD ARG A 14 -5.685 2.007 -0.155 1.00 0.00 C ATOM 181 NE ARG A 14 -5.324 2.493 -1.484 1.00 0.00 N ATOM 182 CZ ARG A 14 -5.523 1.800 -2.599 1.00 0.00 C ATOM 183 NH1 ARG A 14 -6.078 0.597 -2.546 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.167 2.311 -3.771 1.00 0.00 N ATOM 0 H ARG A 14 -6.820 4.994 1.671 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.999 2.527 1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.583 3.279 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.955 1.660 2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.497 4.006 0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.222 2.922 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.196 1.050 0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.759 1.828 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.895 3.415 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.353 0.202 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.230 0.067 -3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.740 3.236 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.320 1.778 -4.627 1.00 0.00 H new ATOM 198 N ALA A 15 -8.528 1.419 3.615 1.00 0.00 N ATOM 199 CA ALA A 15 -9.188 0.926 4.818 1.00 0.00 C ATOM 200 C ALA A 15 -8.262 1.011 6.026 1.00 0.00 C ATOM 201 O ALA A 15 -7.038 0.951 5.906 1.00 0.00 O ATOM 202 CB ALA A 15 -9.660 -0.506 4.612 1.00 0.00 C ATOM 0 H ALA A 15 -8.328 0.701 2.919 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.054 1.558 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.151 -0.861 5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.364 -0.541 3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.804 -1.143 4.390 1.00 0.00 H new ATOM 208 N PRO A 16 -8.857 1.154 7.220 1.00 0.00 N ATOM 209 CA PRO A 16 -8.103 1.251 8.474 1.00 0.00 C ATOM 210 C PRO A 16 -7.439 -0.068 8.854 1.00 0.00 C ATOM 211 O PRO A 16 -6.552 -0.103 9.705 1.00 0.00 O ATOM 212 CB PRO A 16 -9.173 1.626 9.502 1.00 0.00 C ATOM 213 CG PRO A 16 -10.447 1.109 8.930 1.00 0.00 C ATOM 214 CD PRO A 16 -10.311 1.232 7.438 1.00 0.00 C ATOM 0 HA PRO A 16 -7.287 1.971 8.405 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.964 1.176 10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.216 2.705 9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.614 0.072 9.222 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.299 1.684 9.293 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.839 0.432 6.919 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.722 2.173 7.073 1.00 0.00 H new ATOM 222 N GLU A 17 -7.874 -1.150 8.216 1.00 0.00 N ATOM 223 CA GLU A 17 -7.321 -2.472 8.489 1.00 0.00 C ATOM 224 C GLU A 17 -6.147 -2.772 7.560 1.00 0.00 C ATOM 225 O GLU A 17 -5.148 -3.356 7.977 1.00 0.00 O ATOM 226 CB GLU A 17 -8.400 -3.544 8.328 1.00 0.00 C ATOM 227 CG GLU A 17 -9.371 -3.610 9.494 1.00 0.00 C ATOM 228 CD GLU A 17 -8.738 -4.177 10.750 1.00 0.00 C ATOM 229 OE1 GLU A 17 -8.378 -5.373 10.743 1.00 0.00 O ATOM 230 OE2 GLU A 17 -8.603 -3.426 11.738 1.00 0.00 O ATOM 0 H GLU A 17 -8.607 -1.137 7.507 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.961 -2.482 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.958 -3.351 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.920 -4.516 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.750 -2.610 9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.227 -4.224 9.214 1.00 0.00 H new ATOM 237 N GLN A 18 -6.278 -2.368 6.301 1.00 0.00 N ATOM 238 CA GLN A 18 -5.229 -2.595 5.314 1.00 0.00 C ATOM 239 C GLN A 18 -4.005 -1.736 5.613 1.00 0.00 C ATOM 240 O GLN A 18 -2.878 -2.233 5.645 1.00 0.00 O ATOM 241 CB GLN A 18 -5.749 -2.291 3.907 1.00 0.00 C ATOM 242 CG GLN A 18 -7.021 -3.044 3.553 1.00 0.00 C ATOM 243 CD GLN A 18 -7.667 -2.532 2.280 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.829 -2.125 2.281 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.915 -2.551 1.186 1.00 0.00 N ATOM 0 H GLN A 18 -7.099 -1.882 5.940 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.936 -3.644 5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.934 -1.220 3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.975 -2.540 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.792 -4.103 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.731 -2.958 4.376 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.957 -2.897 1.232 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.296 -2.219 0.300 1.00 0.00 H new ATOM 254 N LEU A 19 -4.232 -0.446 5.830 1.00 0.00 N ATOM 255 CA LEU A 19 -3.147 0.483 6.127 1.00 0.00 C ATOM 256 C LEU A 19 -2.292 -0.029 7.281 1.00 0.00 C ATOM 257 O LEU A 19 -1.069 -0.120 7.168 1.00 0.00 O ATOM 258 CB LEU A 19 -3.710 1.864 6.468 1.00 0.00 C ATOM 259 CG LEU A 19 -4.089 2.747 5.279 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.736 4.037 5.756 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.865 3.046 4.426 1.00 0.00 C ATOM 0 H LEU A 19 -5.158 -0.019 5.806 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.518 0.563 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.594 1.730 7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.973 2.396 7.070 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.812 2.208 4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.999 4.652 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.637 3.804 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.037 4.581 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.153 3.676 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.119 3.565 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.444 2.112 4.053 1.00 0.00 H new ATOM 273 N ARG A 20 -2.943 -0.365 8.390 1.00 0.00 N ATOM 274 CA ARG A 20 -2.243 -0.869 9.565 1.00 0.00 C ATOM 275 C ARG A 20 -1.100 -1.797 9.160 1.00 0.00 C ATOM 276 O ARG A 20 -0.066 -1.849 9.824 1.00 0.00 O ATOM 277 CB ARG A 20 -3.214 -1.611 10.485 1.00 0.00 C ATOM 278 CG ARG A 20 -2.533 -2.321 11.644 1.00 0.00 C ATOM 279 CD ARG A 20 -3.531 -3.112 12.476 1.00 0.00 C ATOM 280 NE ARG A 20 -2.928 -3.639 13.697 1.00 0.00 N ATOM 281 CZ ARG A 20 -2.578 -2.882 14.730 1.00 0.00 C ATOM 282 NH1 ARG A 20 -2.770 -1.570 14.690 1.00 0.00 N ATOM 283 NH2 ARG A 20 -2.035 -3.435 15.807 1.00 0.00 N ATOM 0 H ARG A 20 -3.955 -0.297 8.499 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.825 -0.017 10.101 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.940 -0.901 10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.770 -2.342 9.898 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.765 -2.992 11.260 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.030 -1.589 12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.375 -2.472 12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.926 -3.936 11.882 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.767 -4.644 13.760 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.187 -1.141 13.864 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.500 -0.991 15.485 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.886 -4.443 15.842 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.767 -2.852 16.600 1.00 0.00 H new ATOM 297 N ALA A 21 -1.297 -2.526 8.066 1.00 0.00 N ATOM 298 CA ALA A 21 -0.283 -3.450 7.572 1.00 0.00 C ATOM 299 C ALA A 21 0.684 -2.748 6.625 1.00 0.00 C ATOM 300 O ALA A 21 1.876 -3.060 6.594 1.00 0.00 O ATOM 301 CB ALA A 21 -0.941 -4.633 6.877 1.00 0.00 C ATOM 0 H ALA A 21 -2.149 -2.495 7.506 1.00 0.00 H new ATOM 0 HA ALA A 21 0.287 -3.816 8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.172 -5.315 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.586 -5.157 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.537 -4.276 6.037 1.00 0.00 H new ATOM 307 N LEU A 22 0.165 -1.801 5.852 1.00 0.00 N ATOM 308 CA LEU A 22 0.983 -1.054 4.902 1.00 0.00 C ATOM 309 C LEU A 22 1.920 -0.094 5.627 1.00 0.00 C ATOM 310 O LEU A 22 3.136 -0.142 5.445 1.00 0.00 O ATOM 311 CB LEU A 22 0.092 -0.279 3.930 1.00 0.00 C ATOM 312 CG LEU A 22 -0.871 -1.117 3.088 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.926 -0.232 2.444 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.109 -1.899 2.028 1.00 0.00 C ATOM 0 H LEU A 22 -0.819 -1.532 5.864 1.00 0.00 H new ATOM 0 HA LEU A 22 1.587 -1.767 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.491 0.444 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.733 0.289 3.255 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.374 -1.827 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.602 -0.846 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.492 0.283 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.441 0.502 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.810 -2.490 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.421 -1.206 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.608 -2.563 2.511 1.00 0.00 H new ATOM 326 N GLU A 23 1.345 0.777 6.451 1.00 0.00 N ATOM 327 CA GLU A 23 2.130 1.747 7.205 1.00 0.00 C ATOM 328 C GLU A 23 3.222 1.053 8.014 1.00 0.00 C ATOM 329 O GLU A 23 4.372 1.492 8.030 1.00 0.00 O ATOM 330 CB GLU A 23 1.225 2.556 8.136 1.00 0.00 C ATOM 331 CG GLU A 23 0.392 3.604 7.418 1.00 0.00 C ATOM 332 CD GLU A 23 1.205 4.821 7.020 1.00 0.00 C ATOM 333 OE1 GLU A 23 2.445 4.705 6.937 1.00 0.00 O ATOM 334 OE2 GLU A 23 0.600 5.890 6.792 1.00 0.00 O ATOM 0 H GLU A 23 0.339 0.830 6.613 1.00 0.00 H new ATOM 0 HA GLU A 23 2.604 2.423 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.559 1.874 8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.840 3.047 8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.053 3.161 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.429 3.915 8.064 1.00 0.00 H new ATOM 341 N SER A 24 2.852 -0.032 8.686 1.00 0.00 N ATOM 342 CA SER A 24 3.798 -0.785 9.502 1.00 0.00 C ATOM 343 C SER A 24 4.951 -1.309 8.652 1.00 0.00 C ATOM 344 O SER A 24 6.114 -1.232 9.049 1.00 0.00 O ATOM 345 CB SER A 24 3.090 -1.951 10.196 1.00 0.00 C ATOM 346 OG SER A 24 4.023 -2.814 10.821 1.00 0.00 O ATOM 0 H SER A 24 1.904 -0.410 8.682 1.00 0.00 H new ATOM 0 HA SER A 24 4.203 -0.113 10.259 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.391 -1.566 10.939 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.504 -2.511 9.467 1.00 0.00 H new ATOM 0 HG SER A 24 3.546 -3.550 11.258 1.00 0.00 H new ATOM 352 N SER A 25 4.621 -1.842 7.481 1.00 0.00 N ATOM 353 CA SER A 25 5.628 -2.382 6.575 1.00 0.00 C ATOM 354 C SER A 25 6.535 -1.275 6.049 1.00 0.00 C ATOM 355 O SER A 25 7.750 -1.447 5.949 1.00 0.00 O ATOM 356 CB SER A 25 4.957 -3.107 5.406 1.00 0.00 C ATOM 357 OG SER A 25 5.919 -3.566 4.472 1.00 0.00 O ATOM 0 H SER A 25 3.663 -1.912 7.137 1.00 0.00 H new ATOM 0 HA SER A 25 6.238 -3.093 7.132 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.378 -3.951 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.256 -2.435 4.911 1.00 0.00 H new ATOM 0 HG SER A 25 5.657 -3.288 3.569 1.00 0.00 H new ATOM 363 N PHE A 26 5.936 -0.137 5.713 1.00 0.00 N ATOM 364 CA PHE A 26 6.689 1.000 5.195 1.00 0.00 C ATOM 365 C PHE A 26 7.902 1.293 6.072 1.00 0.00 C ATOM 366 O PHE A 26 9.016 1.456 5.575 1.00 0.00 O ATOM 367 CB PHE A 26 5.793 2.237 5.114 1.00 0.00 C ATOM 368 CG PHE A 26 6.419 3.384 4.373 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.967 3.195 3.114 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.460 4.650 4.934 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.545 4.248 2.430 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.036 5.707 4.255 1.00 0.00 C ATOM 373 CZ PHE A 26 7.579 5.505 3.001 1.00 0.00 C ATOM 0 H PHE A 26 4.931 0.022 5.790 1.00 0.00 H new ATOM 0 HA PHE A 26 7.039 0.747 4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.857 1.966 4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.543 2.561 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.942 2.214 2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.037 4.813 5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.970 4.088 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.062 6.689 4.704 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.030 6.329 2.468 1.00 0.00 H new ATOM 383 N ALA A 27 7.677 1.360 7.380 1.00 0.00 N ATOM 384 CA ALA A 27 8.751 1.632 8.327 1.00 0.00 C ATOM 385 C ALA A 27 9.952 0.728 8.071 1.00 0.00 C ATOM 386 O ALA A 27 11.099 1.166 8.153 1.00 0.00 O ATOM 387 CB ALA A 27 8.253 1.459 9.755 1.00 0.00 C ATOM 0 H ALA A 27 6.760 1.230 7.808 1.00 0.00 H new ATOM 0 HA ALA A 27 9.071 2.665 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.066 1.665 10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.432 2.151 9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.904 0.436 9.897 1.00 0.00 H new ATOM 393 N GLN A 28 9.680 -0.536 7.761 1.00 0.00 N ATOM 394 CA GLN A 28 10.739 -1.502 7.494 1.00 0.00 C ATOM 395 C GLN A 28 11.379 -1.246 6.134 1.00 0.00 C ATOM 396 O GLN A 28 12.599 -1.139 6.021 1.00 0.00 O ATOM 397 CB GLN A 28 10.185 -2.926 7.550 1.00 0.00 C ATOM 398 CG GLN A 28 9.784 -3.368 8.948 1.00 0.00 C ATOM 399 CD GLN A 28 10.970 -3.487 9.886 1.00 0.00 C ATOM 400 OE1 GLN A 28 12.080 -3.069 9.557 1.00 0.00 O ATOM 401 NE2 GLN A 28 10.740 -4.059 11.062 1.00 0.00 N ATOM 0 H GLN A 28 8.736 -0.915 7.689 1.00 0.00 H new ATOM 0 HA GLN A 28 11.504 -1.387 8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.318 -2.996 6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.935 -3.614 7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.070 -2.654 9.360 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.275 -4.330 8.889 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.804 -4.391 11.293 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.500 -4.166 11.734 1.00 0.00 H new ATOM 410 N ASN A 29 10.546 -1.149 5.102 1.00 0.00 N ATOM 411 CA ASN A 29 11.031 -0.906 3.748 1.00 0.00 C ATOM 412 C ASN A 29 9.976 -0.186 2.914 1.00 0.00 C ATOM 413 O ASN A 29 8.782 -0.473 2.996 1.00 0.00 O ATOM 414 CB ASN A 29 11.415 -2.227 3.078 1.00 0.00 C ATOM 415 CG ASN A 29 12.423 -2.036 1.961 1.00 0.00 C ATOM 416 OD1 ASN A 29 11.964 -2.167 0.721 1.00 0.00 O flip ATOM 417 ND2 ASN A 29 13.600 -1.774 2.209 1.00 0.00 N flip ATOM 0 H ASN A 29 9.532 -1.235 5.178 1.00 0.00 H new ATOM 0 HA ASN A 29 11.913 -0.269 3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.829 -2.904 3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.519 -2.703 2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.909 -1.682 3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.266 -1.648 1.447 1.00 0.00 H new ATOM 424 N PRO A 30 10.427 0.771 2.089 1.00 0.00 N ATOM 425 CA PRO A 30 9.538 1.551 1.222 1.00 0.00 C ATOM 426 C PRO A 30 8.953 0.715 0.090 1.00 0.00 C ATOM 427 O PRO A 30 7.751 0.767 -0.177 1.00 0.00 O ATOM 428 CB PRO A 30 10.456 2.641 0.663 1.00 0.00 C ATOM 429 CG PRO A 30 11.824 2.055 0.727 1.00 0.00 C ATOM 430 CD PRO A 30 11.837 1.166 1.940 1.00 0.00 C ATOM 0 HA PRO A 30 8.675 1.938 1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.184 2.901 -0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.389 3.555 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.048 1.487 -0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.580 2.836 0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.484 0.300 1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.202 1.694 2.821 1.00 0.00 H new ATOM 438 N LEU A 31 9.808 -0.055 -0.574 1.00 0.00 N ATOM 439 CA LEU A 31 9.375 -0.904 -1.678 1.00 0.00 C ATOM 440 C LEU A 31 9.726 -2.364 -1.413 1.00 0.00 C ATOM 441 O LEU A 31 10.748 -2.876 -1.872 1.00 0.00 O ATOM 442 CB LEU A 31 10.021 -0.441 -2.986 1.00 0.00 C ATOM 443 CG LEU A 31 9.468 0.852 -3.587 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.102 1.124 -4.942 1.00 0.00 C ATOM 445 CD2 LEU A 31 7.953 0.778 -3.709 1.00 0.00 C ATOM 0 H LEU A 31 10.805 -0.109 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 31 8.292 -0.821 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.089 -0.310 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.912 -1.236 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 31 9.718 1.677 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.697 2.048 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.181 1.222 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.883 0.298 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.577 1.707 -4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.680 -0.057 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.515 0.631 -2.722 1.00 0.00 H new ATOM 457 N PRO A 32 8.859 -3.054 -0.657 1.00 0.00 N ATOM 458 CA PRO A 32 9.055 -4.466 -0.316 1.00 0.00 C ATOM 459 C PRO A 32 8.883 -5.383 -1.522 1.00 0.00 C ATOM 460 O PRO A 32 7.957 -5.213 -2.317 1.00 0.00 O ATOM 461 CB PRO A 32 7.962 -4.735 0.721 1.00 0.00 C ATOM 462 CG PRO A 32 6.903 -3.730 0.425 1.00 0.00 C ATOM 463 CD PRO A 32 7.621 -2.508 -0.077 1.00 0.00 C ATOM 0 HA PRO A 32 10.064 -4.661 0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.578 -5.752 0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.343 -4.622 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.205 -4.107 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.321 -3.502 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.031 -1.972 -0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.831 -1.806 0.730 1.00 0.00 H new ATOM 471 N LEU A 33 9.779 -6.354 -1.653 1.00 0.00 N ATOM 472 CA LEU A 33 9.726 -7.299 -2.763 1.00 0.00 C ATOM 473 C LEU A 33 8.471 -8.162 -2.684 1.00 0.00 C ATOM 474 O LEU A 33 7.749 -8.136 -1.687 1.00 0.00 O ATOM 475 CB LEU A 33 10.971 -8.189 -2.762 1.00 0.00 C ATOM 476 CG LEU A 33 12.315 -7.461 -2.719 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.406 -8.386 -2.202 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.676 -6.925 -4.096 1.00 0.00 C ATOM 0 H LEU A 33 10.551 -6.508 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 33 9.695 -6.729 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.915 -8.858 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.947 -8.814 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 33 12.228 -6.617 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.355 -7.851 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.153 -8.721 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.493 -9.250 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.635 -6.410 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.745 -7.753 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.907 -6.228 -4.428 1.00 0.00 H new ATOM 490 N ASP A 34 8.218 -8.927 -3.740 1.00 0.00 N ATOM 491 CA ASP A 34 7.052 -9.801 -3.789 1.00 0.00 C ATOM 492 C ASP A 34 6.951 -10.645 -2.523 1.00 0.00 C ATOM 493 O ASP A 34 5.875 -10.786 -1.943 1.00 0.00 O ATOM 494 CB ASP A 34 7.119 -10.709 -5.018 1.00 0.00 C ATOM 495 CG ASP A 34 6.031 -11.765 -5.019 1.00 0.00 C ATOM 496 OD1 ASP A 34 4.902 -11.454 -4.585 1.00 0.00 O ATOM 497 OD2 ASP A 34 6.308 -12.902 -5.454 1.00 0.00 O ATOM 0 H ASP A 34 8.805 -8.960 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 34 6.163 -9.174 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.033 -10.102 -5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.094 -11.196 -5.053 1.00 0.00 H new ATOM 502 N GLU A 35 8.080 -11.205 -2.100 1.00 0.00 N ATOM 503 CA GLU A 35 8.118 -12.037 -0.903 1.00 0.00 C ATOM 504 C GLU A 35 7.499 -11.308 0.286 1.00 0.00 C ATOM 505 O GLU A 35 6.603 -11.829 0.949 1.00 0.00 O ATOM 506 CB GLU A 35 9.558 -12.436 -0.577 1.00 0.00 C ATOM 507 CG GLU A 35 10.440 -11.263 -0.181 1.00 0.00 C ATOM 508 CD GLU A 35 11.898 -11.653 -0.033 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.287 -12.086 1.072 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.649 -11.526 -1.022 1.00 0.00 O ATOM 0 H GLU A 35 8.980 -11.098 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 35 7.535 -12.937 -1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.550 -13.164 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.994 -12.931 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.352 -10.478 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.082 -10.846 0.760 1.00 0.00 H new ATOM 517 N GLU A 36 7.985 -10.099 0.550 1.00 0.00 N ATOM 518 CA GLU A 36 7.481 -9.298 1.660 1.00 0.00 C ATOM 519 C GLU A 36 6.053 -8.834 1.391 1.00 0.00 C ATOM 520 O GLU A 36 5.309 -8.506 2.317 1.00 0.00 O ATOM 521 CB GLU A 36 8.386 -8.088 1.897 1.00 0.00 C ATOM 522 CG GLU A 36 7.893 -7.166 3.000 1.00 0.00 C ATOM 523 CD GLU A 36 7.615 -7.904 4.295 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.331 -8.884 4.586 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.681 -7.499 5.019 1.00 0.00 O ATOM 0 H GLU A 36 8.727 -9.653 0.011 1.00 0.00 H new ATOM 0 HA GLU A 36 7.480 -9.922 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.388 -8.438 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.469 -7.520 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.638 -6.391 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.984 -6.664 2.670 1.00 0.00 H new ATOM 532 N LEU A 37 5.676 -8.807 0.117 1.00 0.00 N ATOM 533 CA LEU A 37 4.336 -8.383 -0.276 1.00 0.00 C ATOM 534 C LEU A 37 3.342 -9.532 -0.149 1.00 0.00 C ATOM 535 O LEU A 37 2.155 -9.315 0.097 1.00 0.00 O ATOM 536 CB LEU A 37 4.347 -7.858 -1.713 1.00 0.00 C ATOM 537 CG LEU A 37 4.904 -6.448 -1.908 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.293 -6.224 -3.361 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.889 -5.406 -1.459 1.00 0.00 C ATOM 0 H LEU A 37 6.279 -9.074 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 37 4.024 -7.582 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.931 -8.545 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.326 -7.880 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 37 5.798 -6.343 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.687 -5.215 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.055 -6.948 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.416 -6.348 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.303 -4.408 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.977 -5.510 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.660 -5.553 -0.404 1.00 0.00 H new ATOM 551 N ASP A 38 3.834 -10.755 -0.318 1.00 0.00 N ATOM 552 CA ASP A 38 2.989 -11.939 -0.220 1.00 0.00 C ATOM 553 C ASP A 38 2.378 -12.057 1.173 1.00 0.00 C ATOM 554 O ASP A 38 1.221 -12.449 1.323 1.00 0.00 O ATOM 555 CB ASP A 38 3.797 -13.196 -0.544 1.00 0.00 C ATOM 556 CG ASP A 38 2.945 -14.450 -0.535 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.400 -14.790 0.536 1.00 0.00 O ATOM 558 OD2 ASP A 38 2.823 -15.093 -1.600 1.00 0.00 O ATOM 0 H ASP A 38 4.814 -10.952 -0.523 1.00 0.00 H new ATOM 0 HA ASP A 38 2.181 -11.839 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.262 -13.083 -1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.604 -13.303 0.181 1.00 0.00 H new ATOM 563 N ARG A 39 3.164 -11.715 2.189 1.00 0.00 N ATOM 564 CA ARG A 39 2.701 -11.785 3.570 1.00 0.00 C ATOM 565 C ARG A 39 1.611 -10.750 3.831 1.00 0.00 C ATOM 566 O ARG A 39 0.502 -11.091 4.245 1.00 0.00 O ATOM 567 CB ARG A 39 3.869 -11.566 4.533 1.00 0.00 C ATOM 568 CG ARG A 39 3.520 -11.842 5.987 1.00 0.00 C ATOM 569 CD ARG A 39 4.767 -11.913 6.855 1.00 0.00 C ATOM 570 NE ARG A 39 5.313 -10.589 7.139 1.00 0.00 N ATOM 571 CZ ARG A 39 4.867 -9.803 8.113 1.00 0.00 C ATOM 572 NH1 ARG A 39 3.873 -10.207 8.892 1.00 0.00 N ATOM 573 NH2 ARG A 39 5.416 -8.611 8.309 1.00 0.00 N ATOM 0 H ARG A 39 4.124 -11.387 2.082 1.00 0.00 H new ATOM 0 HA ARG A 39 2.283 -12.778 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.697 -12.210 4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.217 -10.537 4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.860 -11.058 6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.971 -12.781 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.528 -12.415 7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.523 -12.517 6.354 1.00 0.00 H new ATOM 0 HE ARG A 39 6.079 -10.249 6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.449 -11.123 8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.532 -9.602 9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.181 -8.297 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.073 -8.008 9.057 1.00 0.00 H new ATOM 587 N LEU A 40 1.934 -9.484 3.587 1.00 0.00 N ATOM 588 CA LEU A 40 0.983 -8.398 3.796 1.00 0.00 C ATOM 589 C LEU A 40 -0.341 -8.692 3.097 1.00 0.00 C ATOM 590 O LEU A 40 -1.412 -8.534 3.684 1.00 0.00 O ATOM 591 CB LEU A 40 1.563 -7.080 3.281 1.00 0.00 C ATOM 592 CG LEU A 40 2.800 -6.559 4.014 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.523 -5.521 3.170 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.414 -5.976 5.365 1.00 0.00 C ATOM 0 H LEU A 40 2.847 -9.185 3.244 1.00 0.00 H new ATOM 0 HA LEU A 40 0.796 -8.312 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.815 -7.204 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.785 -6.318 3.335 1.00 0.00 H new ATOM 0 HG LEU A 40 3.478 -7.396 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.400 -5.162 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.834 -5.971 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.853 -4.685 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.307 -5.610 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.716 -5.151 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.942 -6.748 5.973 1.00 0.00 H new ATOM 606 N ARG A 41 -0.259 -9.121 1.842 1.00 0.00 N ATOM 607 CA ARG A 41 -1.451 -9.438 1.064 1.00 0.00 C ATOM 608 C ARG A 41 -2.505 -10.116 1.935 1.00 0.00 C ATOM 609 O ARG A 41 -3.704 -9.926 1.736 1.00 0.00 O ATOM 610 CB ARG A 41 -1.090 -10.343 -0.115 1.00 0.00 C ATOM 611 CG ARG A 41 -0.708 -9.580 -1.374 1.00 0.00 C ATOM 612 CD ARG A 41 -0.975 -10.401 -2.625 1.00 0.00 C ATOM 613 NE ARG A 41 -0.249 -11.668 -2.614 1.00 0.00 N ATOM 614 CZ ARG A 41 -0.373 -12.595 -3.558 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.192 -12.397 -4.582 1.00 0.00 N ATOM 616 NH2 ARG A 41 0.322 -13.722 -3.478 1.00 0.00 N ATOM 0 H ARG A 41 0.620 -9.257 1.342 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.865 -8.504 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.261 -10.989 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.937 -10.992 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.272 -8.649 -1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.348 -9.312 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.044 -10.597 -2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.686 -9.826 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 41 0.388 -11.852 -1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.728 -11.532 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.286 -13.110 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.952 -13.878 -2.691 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.226 -14.433 -4.203 1.00 0.00 H new ATOM 630 N SER A 42 -2.047 -10.906 2.901 1.00 0.00 N ATOM 631 CA SER A 42 -2.950 -11.616 3.799 1.00 0.00 C ATOM 632 C SER A 42 -3.764 -10.635 4.638 1.00 0.00 C ATOM 633 O SER A 42 -4.976 -10.786 4.786 1.00 0.00 O ATOM 634 CB SER A 42 -2.161 -12.554 4.714 1.00 0.00 C ATOM 635 OG SER A 42 -1.514 -13.570 3.967 1.00 0.00 O ATOM 0 H SER A 42 -1.057 -11.070 3.082 1.00 0.00 H new ATOM 0 HA SER A 42 -3.637 -12.206 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.421 -11.983 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.833 -13.006 5.443 1.00 0.00 H new ATOM 0 HG SER A 42 -1.015 -14.155 4.574 1.00 0.00 H new ATOM 641 N GLU A 43 -3.087 -9.630 5.184 1.00 0.00 N ATOM 642 CA GLU A 43 -3.746 -8.624 6.009 1.00 0.00 C ATOM 643 C GLU A 43 -4.495 -7.616 5.143 1.00 0.00 C ATOM 644 O GLU A 43 -5.707 -7.442 5.278 1.00 0.00 O ATOM 645 CB GLU A 43 -2.722 -7.899 6.885 1.00 0.00 C ATOM 646 CG GLU A 43 -1.912 -8.830 7.771 1.00 0.00 C ATOM 647 CD GLU A 43 -2.626 -9.173 9.065 1.00 0.00 C ATOM 648 OE1 GLU A 43 -2.699 -8.298 9.952 1.00 0.00 O ATOM 649 OE2 GLU A 43 -3.112 -10.317 9.188 1.00 0.00 O ATOM 0 H GLU A 43 -2.083 -9.491 5.070 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.466 -9.132 6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.042 -7.337 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.241 -7.174 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.696 -9.748 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.954 -8.364 8.002 1.00 0.00 H new ATOM 656 N THR A 44 -3.765 -6.952 4.252 1.00 0.00 N ATOM 657 CA THR A 44 -4.358 -5.960 3.364 1.00 0.00 C ATOM 658 C THR A 44 -5.406 -6.591 2.456 1.00 0.00 C ATOM 659 O THR A 44 -6.289 -5.906 1.938 1.00 0.00 O ATOM 660 CB THR A 44 -3.288 -5.274 2.494 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.559 -6.255 1.749 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.327 -4.466 3.354 1.00 0.00 C ATOM 0 H THR A 44 -2.761 -7.084 4.126 1.00 0.00 H new ATOM 0 HA THR A 44 -4.834 -5.213 3.999 1.00 0.00 H new ATOM 0 HB THR A 44 -3.792 -4.596 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.597 -6.104 1.863 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.581 -3.991 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.881 -3.700 3.897 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.830 -5.127 4.064 1.00 0.00 H new ATOM 670 N LYS A 45 -5.306 -7.903 2.266 1.00 0.00 N ATOM 671 CA LYS A 45 -6.247 -8.629 1.422 1.00 0.00 C ATOM 672 C LYS A 45 -6.244 -8.073 0.002 1.00 0.00 C ATOM 673 O LYS A 45 -7.288 -7.993 -0.645 1.00 0.00 O ATOM 674 CB LYS A 45 -7.658 -8.549 2.010 1.00 0.00 C ATOM 675 CG LYS A 45 -7.796 -9.240 3.355 1.00 0.00 C ATOM 676 CD LYS A 45 -7.906 -10.748 3.199 1.00 0.00 C ATOM 677 CE LYS A 45 -8.517 -11.392 4.434 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.507 -12.879 4.346 1.00 0.00 N ATOM 0 H LYS A 45 -4.581 -8.485 2.686 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.934 -9.673 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.938 -7.501 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.361 -8.996 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.935 -9.000 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.678 -8.861 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.516 -10.981 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.917 -11.170 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.964 -11.077 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.542 -11.042 4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.932 -13.281 5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.055 -13.181 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.527 -13.215 4.255 1.00 0.00 H new ATOM 692 N MET A 46 -5.065 -7.691 -0.477 1.00 0.00 N ATOM 693 CA MET A 46 -4.927 -7.145 -1.823 1.00 0.00 C ATOM 694 C MET A 46 -3.884 -7.920 -2.620 1.00 0.00 C ATOM 695 O MET A 46 -3.349 -8.926 -2.151 1.00 0.00 O ATOM 696 CB MET A 46 -4.542 -5.666 -1.759 1.00 0.00 C ATOM 697 CG MET A 46 -5.470 -4.832 -0.890 1.00 0.00 C ATOM 698 SD MET A 46 -5.507 -3.097 -1.378 1.00 0.00 S ATOM 699 CE MET A 46 -3.794 -2.637 -1.123 1.00 0.00 C ATOM 0 H MET A 46 -4.191 -7.749 0.046 1.00 0.00 H new ATOM 0 HA MET A 46 -5.888 -7.241 -2.328 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.525 -5.580 -1.376 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.538 -5.256 -2.769 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.478 -5.242 -0.945 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.152 -4.906 0.150 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.645 -1.603 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.543 -2.739 -0.067 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.150 -3.289 -1.714 1.00 0.00 H new ATOM 709 N THR A 47 -3.598 -7.448 -3.829 1.00 0.00 N ATOM 710 CA THR A 47 -2.620 -8.098 -4.692 1.00 0.00 C ATOM 711 C THR A 47 -1.309 -7.320 -4.721 1.00 0.00 C ATOM 712 O THR A 47 -1.272 -6.135 -4.388 1.00 0.00 O ATOM 713 CB THR A 47 -3.149 -8.243 -6.132 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.855 -7.058 -6.516 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.070 -9.449 -6.250 1.00 0.00 C ATOM 0 H THR A 47 -4.030 -6.617 -4.233 1.00 0.00 H new ATOM 0 HA THR A 47 -2.442 -9.090 -4.276 1.00 0.00 H new ATOM 0 HB THR A 47 -2.297 -8.389 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.187 -7.157 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.432 -9.532 -7.275 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.522 -10.353 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.917 -9.327 -5.575 1.00 0.00 H new ATOM 723 N ARG A 48 -0.235 -7.993 -5.122 1.00 0.00 N ATOM 724 CA ARG A 48 1.078 -7.364 -5.193 1.00 0.00 C ATOM 725 C ARG A 48 0.980 -5.969 -5.803 1.00 0.00 C ATOM 726 O ARG A 48 1.615 -5.027 -5.328 1.00 0.00 O ATOM 727 CB ARG A 48 2.036 -8.227 -6.018 1.00 0.00 C ATOM 728 CG ARG A 48 2.813 -9.236 -5.188 1.00 0.00 C ATOM 729 CD ARG A 48 1.885 -10.119 -4.371 1.00 0.00 C ATOM 730 NE ARG A 48 0.997 -10.912 -5.218 1.00 0.00 N ATOM 731 CZ ARG A 48 1.415 -11.909 -5.990 1.00 0.00 C ATOM 732 NH1 ARG A 48 2.700 -12.234 -6.021 1.00 0.00 N ATOM 733 NH2 ARG A 48 0.546 -12.584 -6.732 1.00 0.00 N ATOM 0 H ARG A 48 -0.249 -8.974 -5.403 1.00 0.00 H new ATOM 0 HA ARG A 48 1.465 -7.272 -4.178 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.468 -8.758 -6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.740 -7.578 -6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.422 -9.857 -5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.497 -8.711 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.478 -10.785 -3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.289 -9.498 -3.703 1.00 0.00 H new ATOM 0 HE ARG A 48 0.002 -10.688 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.370 -11.718 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.018 -13.000 -6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.443 -12.337 -6.710 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.868 -13.349 -7.325 1.00 0.00 H new ATOM 747 N ARG A 49 0.181 -5.845 -6.858 1.00 0.00 N ATOM 748 CA ARG A 49 0.002 -4.566 -7.534 1.00 0.00 C ATOM 749 C ARG A 49 -0.681 -3.557 -6.616 1.00 0.00 C ATOM 750 O ARG A 49 -0.136 -2.489 -6.336 1.00 0.00 O ATOM 751 CB ARG A 49 -0.822 -4.750 -8.810 1.00 0.00 C ATOM 752 CG ARG A 49 -1.570 -3.498 -9.238 1.00 0.00 C ATOM 753 CD ARG A 49 -1.993 -3.573 -10.696 1.00 0.00 C ATOM 754 NE ARG A 49 -3.310 -4.185 -10.853 1.00 0.00 N ATOM 755 CZ ARG A 49 -3.507 -5.497 -10.917 1.00 0.00 C ATOM 756 NH1 ARG A 49 -2.478 -6.330 -10.837 1.00 0.00 N ATOM 757 NH2 ARG A 49 -4.735 -5.979 -11.061 1.00 0.00 N ATOM 0 H ARG A 49 -0.352 -6.615 -7.263 1.00 0.00 H new ATOM 0 HA ARG A 49 0.987 -4.182 -7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.160 -5.062 -9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.539 -5.557 -8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.450 -3.366 -8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.936 -2.624 -9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.006 -2.570 -11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.257 -4.148 -11.258 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.122 -3.572 -10.917 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.533 -5.964 -10.726 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.632 -7.337 -10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.529 -5.342 -11.123 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.885 -6.987 -11.110 1.00 0.00 H new ATOM 771 N GLU A 50 -1.877 -3.903 -6.150 1.00 0.00 N ATOM 772 CA GLU A 50 -2.635 -3.026 -5.265 1.00 0.00 C ATOM 773 C GLU A 50 -1.736 -2.439 -4.180 1.00 0.00 C ATOM 774 O GLU A 50 -1.739 -1.231 -3.943 1.00 0.00 O ATOM 775 CB GLU A 50 -3.794 -3.791 -4.623 1.00 0.00 C ATOM 776 CG GLU A 50 -5.010 -3.922 -5.524 1.00 0.00 C ATOM 777 CD GLU A 50 -5.603 -2.578 -5.902 1.00 0.00 C ATOM 778 OE1 GLU A 50 -5.174 -2.009 -6.928 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.495 -2.096 -5.173 1.00 0.00 O ATOM 0 H GLU A 50 -2.342 -4.784 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.036 -2.208 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.450 -4.787 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.087 -3.285 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.730 -4.459 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.768 -4.521 -5.020 1.00 0.00 H new ATOM 786 N ILE A 51 -0.967 -3.303 -3.526 1.00 0.00 N ATOM 787 CA ILE A 51 -0.063 -2.871 -2.468 1.00 0.00 C ATOM 788 C ILE A 51 1.109 -2.078 -3.036 1.00 0.00 C ATOM 789 O ILE A 51 1.341 -0.932 -2.651 1.00 0.00 O ATOM 790 CB ILE A 51 0.482 -4.070 -1.669 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.672 -4.912 -1.120 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.379 -3.589 -0.538 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.237 -6.261 -0.591 1.00 0.00 C ATOM 0 H ILE A 51 -0.952 -4.306 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.641 -2.232 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 51 1.076 -4.694 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.166 -4.359 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.410 -5.061 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.756 -4.448 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.217 -3.028 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.807 -2.947 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.106 -6.803 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.231 -6.833 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.478 -6.121 0.220 1.00 0.00 H new ATOM 805 N ASP A 52 1.844 -2.696 -3.954 1.00 0.00 N ATOM 806 CA ASP A 52 2.991 -2.047 -4.579 1.00 0.00 C ATOM 807 C ASP A 52 2.674 -0.594 -4.921 1.00 0.00 C ATOM 808 O ASP A 52 3.410 0.318 -4.543 1.00 0.00 O ATOM 809 CB ASP A 52 3.406 -2.802 -5.842 1.00 0.00 C ATOM 810 CG ASP A 52 4.430 -3.884 -5.560 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.097 -3.809 -4.507 1.00 0.00 O ATOM 812 OD2 ASP A 52 4.564 -4.806 -6.392 1.00 0.00 O ATOM 0 H ASP A 52 1.666 -3.645 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 52 3.817 -2.062 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.524 -3.251 -6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.816 -2.097 -6.565 1.00 0.00 H new ATOM 817 N SER A 53 1.574 -0.387 -5.638 1.00 0.00 N ATOM 818 CA SER A 53 1.162 0.954 -6.035 1.00 0.00 C ATOM 819 C SER A 53 1.063 1.874 -4.822 1.00 0.00 C ATOM 820 O SER A 53 1.629 2.967 -4.810 1.00 0.00 O ATOM 821 CB SER A 53 -0.183 0.903 -6.763 1.00 0.00 C ATOM 822 OG SER A 53 -0.562 2.188 -7.224 1.00 0.00 O ATOM 0 H SER A 53 0.952 -1.131 -5.956 1.00 0.00 H new ATOM 0 HA SER A 53 1.918 1.354 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.118 0.215 -7.606 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.949 0.513 -6.092 1.00 0.00 H new ATOM 0 HG SER A 53 -1.424 2.128 -7.687 1.00 0.00 H new ATOM 828 N TRP A 54 0.339 1.422 -3.804 1.00 0.00 N ATOM 829 CA TRP A 54 0.165 2.204 -2.585 1.00 0.00 C ATOM 830 C TRP A 54 1.478 2.851 -2.160 1.00 0.00 C ATOM 831 O TRP A 54 1.590 4.076 -2.109 1.00 0.00 O ATOM 832 CB TRP A 54 -0.369 1.317 -1.458 1.00 0.00 C ATOM 833 CG TRP A 54 -0.556 2.050 -0.164 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.691 2.673 0.268 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.423 2.236 0.864 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.478 3.236 1.503 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.189 2.981 1.892 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.755 1.844 1.019 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.488 3.341 3.054 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.426 2.203 2.172 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.792 2.944 3.178 1.00 0.00 C ATOM 0 H TRP A 54 -0.136 0.520 -3.798 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.557 2.994 -2.790 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.322 0.887 -1.765 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.320 0.487 -1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.620 2.717 -0.281 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.168 3.759 2.043 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.252 1.270 0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.002 3.913 3.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.457 1.907 2.300 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.343 3.207 4.069 1.00 0.00 H new ATOM 852 N PHE A 55 2.471 2.022 -1.857 1.00 0.00 N ATOM 853 CA PHE A 55 3.777 2.514 -1.436 1.00 0.00 C ATOM 854 C PHE A 55 4.284 3.594 -2.388 1.00 0.00 C ATOM 855 O PHE A 55 4.463 4.747 -1.997 1.00 0.00 O ATOM 856 CB PHE A 55 4.783 1.363 -1.371 1.00 0.00 C ATOM 857 CG PHE A 55 4.601 0.475 -0.173 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.154 0.818 1.051 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.878 -0.702 -0.270 1.00 0.00 C ATOM 860 CE1 PHE A 55 4.988 0.004 2.155 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.708 -1.520 0.831 1.00 0.00 C ATOM 862 CZ PHE A 55 4.265 -1.167 2.044 1.00 0.00 C ATOM 0 H PHE A 55 2.396 1.005 -1.895 1.00 0.00 H new ATOM 0 HA PHE A 55 3.670 2.950 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.694 0.762 -2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.793 1.774 -1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.721 1.732 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.442 -0.984 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.423 0.283 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.140 -2.434 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.135 -1.806 2.905 1.00 0.00 H new ATOM 872 N SER A 56 4.514 3.210 -3.640 1.00 0.00 N ATOM 873 CA SER A 56 5.004 4.143 -4.648 1.00 0.00 C ATOM 874 C SER A 56 4.233 5.458 -4.592 1.00 0.00 C ATOM 875 O SER A 56 4.716 6.492 -5.050 1.00 0.00 O ATOM 876 CB SER A 56 4.886 3.528 -6.044 1.00 0.00 C ATOM 877 OG SER A 56 5.565 4.314 -7.007 1.00 0.00 O ATOM 0 H SER A 56 4.369 2.259 -3.980 1.00 0.00 H new ATOM 0 HA SER A 56 6.054 4.348 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.299 2.519 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.835 3.440 -6.318 1.00 0.00 H new ATOM 0 HG SER A 56 5.476 3.899 -7.890 1.00 0.00 H new ATOM 883 N GLU A 57 3.031 5.408 -4.027 1.00 0.00 N ATOM 884 CA GLU A 57 2.191 6.595 -3.912 1.00 0.00 C ATOM 885 C GLU A 57 2.316 7.217 -2.524 1.00 0.00 C ATOM 886 O GLU A 57 2.156 8.426 -2.358 1.00 0.00 O ATOM 887 CB GLU A 57 0.730 6.242 -4.195 1.00 0.00 C ATOM 888 CG GLU A 57 0.359 6.322 -5.667 1.00 0.00 C ATOM 889 CD GLU A 57 0.153 7.747 -6.140 1.00 0.00 C ATOM 890 OE1 GLU A 57 -0.638 8.476 -5.505 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.782 8.134 -7.147 1.00 0.00 O ATOM 0 H GLU A 57 2.617 4.559 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 57 2.531 7.322 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.532 5.233 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.086 6.915 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.145 5.856 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.553 5.750 -5.840 1.00 0.00 H new ATOM 898 N ARG A 58 2.602 6.381 -1.531 1.00 0.00 N ATOM 899 CA ARG A 58 2.747 6.848 -0.157 1.00 0.00 C ATOM 900 C ARG A 58 4.150 7.395 0.086 1.00 0.00 C ATOM 901 O ARG A 58 4.317 8.553 0.469 1.00 0.00 O ATOM 902 CB ARG A 58 2.454 5.711 0.824 1.00 0.00 C ATOM 903 CG ARG A 58 2.677 6.089 2.279 1.00 0.00 C ATOM 904 CD ARG A 58 1.482 6.837 2.849 1.00 0.00 C ATOM 905 NE ARG A 58 1.815 7.542 4.084 1.00 0.00 N ATOM 906 CZ ARG A 58 1.112 8.563 4.560 1.00 0.00 C ATOM 907 NH1 ARG A 58 0.042 8.997 3.909 1.00 0.00 N ATOM 908 NH2 ARG A 58 1.479 9.153 5.691 1.00 0.00 N ATOM 0 H ARG A 58 2.738 5.377 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 58 2.029 7.652 0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.421 5.389 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.087 4.858 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.858 5.189 2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.570 6.709 2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.116 7.551 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.672 6.133 3.041 1.00 0.00 H new ATOM 0 HE ARG A 58 2.633 7.233 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.244 8.546 3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.496 9.782 4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.302 8.822 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.938 9.937 6.056 1.00 0.00 H new ATOM 922 N ARG A 59 5.155 6.555 -0.138 1.00 0.00 N ATOM 923 CA ARG A 59 6.543 6.954 0.058 1.00 0.00 C ATOM 924 C ARG A 59 6.827 8.288 -0.625 1.00 0.00 C ATOM 925 O ARG A 59 7.662 9.068 -0.166 1.00 0.00 O ATOM 926 CB ARG A 59 7.486 5.879 -0.485 1.00 0.00 C ATOM 927 CG ARG A 59 7.596 5.875 -2.001 1.00 0.00 C ATOM 928 CD ARG A 59 8.809 5.086 -2.470 1.00 0.00 C ATOM 929 NE ARG A 59 10.006 5.918 -2.547 1.00 0.00 N ATOM 930 CZ ARG A 59 10.234 6.790 -3.523 1.00 0.00 C ATOM 931 NH1 ARG A 59 9.349 6.944 -4.498 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.347 7.511 -3.523 1.00 0.00 N ATOM 0 H ARG A 59 5.034 5.593 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 59 6.714 7.070 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.478 6.028 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.139 4.901 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.692 5.444 -2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.665 6.900 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.988 4.256 -1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.604 4.654 -3.450 1.00 0.00 H new ATOM 0 HE ARG A 59 10.706 5.825 -1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.491 6.392 -4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.526 7.614 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.029 7.396 -2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.521 8.180 -4.273 1.00 0.00 H new ATOM 946 N LYS A 60 6.127 8.544 -1.725 1.00 0.00 N ATOM 947 CA LYS A 60 6.303 9.784 -2.472 1.00 0.00 C ATOM 948 C LYS A 60 5.575 10.938 -1.790 1.00 0.00 C ATOM 949 O LYS A 60 5.957 12.099 -1.936 1.00 0.00 O ATOM 950 CB LYS A 60 5.788 9.617 -3.904 1.00 0.00 C ATOM 951 CG LYS A 60 4.278 9.476 -3.995 1.00 0.00 C ATOM 952 CD LYS A 60 3.745 10.020 -5.310 1.00 0.00 C ATOM 953 CE LYS A 60 3.912 9.013 -6.438 1.00 0.00 C ATOM 954 NZ LYS A 60 3.734 9.644 -7.775 1.00 0.00 N ATOM 0 H LYS A 60 5.432 7.909 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 60 7.368 10.015 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.101 10.477 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.254 8.738 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.003 8.426 -3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.811 10.007 -3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.691 10.273 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.269 10.942 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.902 8.562 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.187 8.208 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.855 8.925 -8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.780 10.053 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.442 10.395 -7.901 1.00 0.00 H new ATOM 968 N LYS A 61 4.526 10.611 -1.044 1.00 0.00 N ATOM 969 CA LYS A 61 3.746 11.619 -0.336 1.00 0.00 C ATOM 970 C LYS A 61 4.528 12.181 0.847 1.00 0.00 C ATOM 971 O LYS A 61 4.622 13.396 1.021 1.00 0.00 O ATOM 972 CB LYS A 61 2.424 11.022 0.151 1.00 0.00 C ATOM 973 CG LYS A 61 1.296 11.135 -0.860 1.00 0.00 C ATOM 974 CD LYS A 61 -0.048 10.794 -0.238 1.00 0.00 C ATOM 975 CE LYS A 61 -1.098 10.509 -1.301 1.00 0.00 C ATOM 976 NZ LYS A 61 -2.286 9.813 -0.734 1.00 0.00 N ATOM 0 H LYS A 61 4.196 9.655 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 61 3.536 12.433 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.578 9.971 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.126 11.523 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.266 12.148 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.490 10.466 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.060 9.925 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.380 11.621 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.412 11.446 -1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.660 9.897 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.978 9.637 -1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.991 8.907 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.719 10.408 0.000 1.00 0.00 H new ATOM 990 N VAL A 62 5.089 11.289 1.657 1.00 0.00 N ATOM 991 CA VAL A 62 5.865 11.696 2.822 1.00 0.00 C ATOM 992 C VAL A 62 6.990 12.647 2.428 1.00 0.00 C ATOM 993 O VAL A 62 7.276 13.613 3.134 1.00 0.00 O ATOM 994 CB VAL A 62 6.468 10.479 3.548 1.00 0.00 C ATOM 995 CG1 VAL A 62 7.301 10.926 4.740 1.00 0.00 C ATOM 996 CG2 VAL A 62 5.370 9.521 3.984 1.00 0.00 C ATOM 0 H VAL A 62 5.020 10.280 1.528 1.00 0.00 H new ATOM 0 HA VAL A 62 5.179 12.209 3.496 1.00 0.00 H new ATOM 0 HB VAL A 62 7.124 9.953 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.719 10.052 5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.111 11.570 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.671 11.477 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.814 8.667 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.687 10.034 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.821 9.174 3.109 1.00 0.00 H new ATOM 1006 N ASN A 63 7.624 12.367 1.294 1.00 0.00 N ATOM 1007 CA ASN A 63 8.719 13.198 0.805 1.00 0.00 C ATOM 1008 C ASN A 63 8.226 14.601 0.466 1.00 0.00 C ATOM 1009 O ASN A 63 8.916 15.590 0.715 1.00 0.00 O ATOM 1010 CB ASN A 63 9.361 12.559 -0.428 1.00 0.00 C ATOM 1011 CG ASN A 63 10.466 13.415 -1.014 1.00 0.00 C ATOM 1012 OD1 ASN A 63 11.569 13.482 -0.471 1.00 0.00 O ATOM 1013 ND2 ASN A 63 10.174 14.076 -2.128 1.00 0.00 N ATOM 0 H ASN A 63 7.399 11.572 0.697 1.00 0.00 H new ATOM 0 HA ASN A 63 9.465 13.275 1.596 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.765 11.583 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.596 12.389 -1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 63 10.877 14.669 -2.568 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.246 13.991 -2.543 1.00 0.00 H new ATOM 1020 N ALA A 64 7.028 14.681 -0.103 1.00 0.00 N ATOM 1021 CA ALA A 64 6.442 15.962 -0.474 1.00 0.00 C ATOM 1022 C ALA A 64 5.494 16.467 0.609 1.00 0.00 C ATOM 1023 O ALA A 64 4.365 16.864 0.322 1.00 0.00 O ATOM 1024 CB ALA A 64 5.712 15.844 -1.804 1.00 0.00 C ATOM 0 H ALA A 64 6.444 13.873 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 64 7.250 16.686 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.279 16.809 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.415 15.537 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.918 15.102 -1.719 1.00 0.00 H new ATOM 1030 N GLU A 65 5.960 16.447 1.853 1.00 0.00 N ATOM 1031 CA GLU A 65 5.152 16.901 2.979 1.00 0.00 C ATOM 1032 C GLU A 65 5.468 18.353 3.324 1.00 0.00 C ATOM 1033 O GLU A 65 6.538 18.862 2.994 1.00 0.00 O ATOM 1034 CB GLU A 65 5.392 16.011 4.200 1.00 0.00 C ATOM 1035 CG GLU A 65 4.567 14.735 4.194 1.00 0.00 C ATOM 1036 CD GLU A 65 3.083 14.999 4.360 1.00 0.00 C ATOM 1037 OE1 GLU A 65 2.416 15.290 3.344 1.00 0.00 O ATOM 1038 OE2 GLU A 65 2.588 14.916 5.503 1.00 0.00 O ATOM 0 H GLU A 65 6.893 16.121 2.107 1.00 0.00 H new ATOM 0 HA GLU A 65 4.103 16.834 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.449 15.750 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.163 16.577 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.735 14.203 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.908 14.082 4.998 1.00 0.00 H new ATOM 1045 N GLU A 66 4.527 19.015 3.991 1.00 0.00 N ATOM 1046 CA GLU A 66 4.704 20.409 4.380 1.00 0.00 C ATOM 1047 C GLU A 66 4.843 21.303 3.152 1.00 0.00 C ATOM 1048 O GLU A 66 5.733 22.152 3.084 1.00 0.00 O ATOM 1049 CB GLU A 66 5.936 20.559 5.275 1.00 0.00 C ATOM 1050 CG GLU A 66 5.873 19.723 6.543 1.00 0.00 C ATOM 1051 CD GLU A 66 5.001 20.352 7.613 1.00 0.00 C ATOM 1052 OE1 GLU A 66 5.413 21.384 8.182 1.00 0.00 O ATOM 1053 OE2 GLU A 66 3.907 19.812 7.880 1.00 0.00 O ATOM 0 H GLU A 66 3.635 18.608 4.273 1.00 0.00 H new ATOM 0 HA GLU A 66 3.819 20.719 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.823 20.277 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.051 21.608 5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.488 18.732 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.881 19.587 6.935 1.00 0.00 H new ATOM 1060 N THR A 67 3.957 21.106 2.180 1.00 0.00 N ATOM 1061 CA THR A 67 3.981 21.892 0.953 1.00 0.00 C ATOM 1062 C THR A 67 2.890 22.957 0.961 1.00 0.00 C ATOM 1063 O THR A 67 1.703 22.645 1.056 1.00 0.00 O ATOM 1064 CB THR A 67 3.801 21.000 -0.289 1.00 0.00 C ATOM 1065 OG1 THR A 67 4.608 19.823 -0.168 1.00 0.00 O ATOM 1066 CG2 THR A 67 4.181 21.753 -1.556 1.00 0.00 C ATOM 0 H THR A 67 3.214 20.408 2.219 1.00 0.00 H new ATOM 0 HA THR A 67 4.957 22.375 0.906 1.00 0.00 H new ATOM 0 HB THR A 67 2.751 20.715 -0.355 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.031 19.044 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.046 21.103 -2.420 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.546 22.633 -1.661 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.224 22.064 -1.496 1.00 0.00 H new ATOM 1074 N LYS A 68 3.300 24.218 0.861 1.00 0.00 N ATOM 1075 CA LYS A 68 2.358 25.330 0.854 1.00 0.00 C ATOM 1076 C LYS A 68 1.441 25.260 -0.362 1.00 0.00 C ATOM 1077 O LYS A 68 1.756 24.602 -1.354 1.00 0.00 O ATOM 1078 CB LYS A 68 3.110 26.663 0.863 1.00 0.00 C ATOM 1079 CG LYS A 68 3.784 26.972 2.189 1.00 0.00 C ATOM 1080 CD LYS A 68 5.023 27.831 1.997 1.00 0.00 C ATOM 1081 CE LYS A 68 5.740 28.077 3.316 1.00 0.00 C ATOM 1082 NZ LYS A 68 5.229 29.294 4.006 1.00 0.00 N ATOM 0 H LYS A 68 4.279 24.494 0.784 1.00 0.00 H new ATOM 0 HA LYS A 68 1.745 25.259 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.864 26.651 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.413 27.466 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.081 27.486 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.059 26.041 2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.702 27.342 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.740 28.785 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.613 27.211 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.809 28.185 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.743 29.427 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.373 30.125 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.214 29.181 4.203 1.00 0.00 H new ATOM 1096 N LYS A 69 0.304 25.944 -0.281 1.00 0.00 N ATOM 1097 CA LYS A 69 -0.658 25.962 -1.377 1.00 0.00 C ATOM 1098 C LYS A 69 -1.690 27.067 -1.176 1.00 0.00 C ATOM 1099 O LYS A 69 -2.077 27.371 -0.048 1.00 0.00 O ATOM 1100 CB LYS A 69 -1.361 24.607 -1.488 1.00 0.00 C ATOM 1101 CG LYS A 69 -2.112 24.417 -2.794 1.00 0.00 C ATOM 1102 CD LYS A 69 -1.160 24.309 -3.974 1.00 0.00 C ATOM 1103 CE LYS A 69 -1.898 23.956 -5.256 1.00 0.00 C ATOM 1104 NZ LYS A 69 -0.962 23.752 -6.396 1.00 0.00 N ATOM 0 H LYS A 69 0.026 26.493 0.532 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.115 26.159 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.621 23.814 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.060 24.500 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.724 23.517 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.792 25.255 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.633 25.254 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.406 23.550 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.484 23.050 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.601 24.752 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.503 23.513 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.421 24.625 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.307 22.976 -6.173 1.00 0.00 H new ATOM 1118 N SER A 70 -2.133 27.665 -2.278 1.00 0.00 N ATOM 1119 CA SER A 70 -3.118 28.738 -2.223 1.00 0.00 C ATOM 1120 C SER A 70 -4.343 28.394 -3.064 1.00 0.00 C ATOM 1121 O SER A 70 -4.296 27.510 -3.918 1.00 0.00 O ATOM 1122 CB SER A 70 -2.502 30.050 -2.710 1.00 0.00 C ATOM 1123 OG SER A 70 -2.298 30.028 -4.113 1.00 0.00 O ATOM 0 H SER A 70 -1.825 27.424 -3.220 1.00 0.00 H new ATOM 0 HA SER A 70 -3.433 28.856 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.156 30.882 -2.447 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.552 30.219 -2.204 1.00 0.00 H new ATOM 0 HG SER A 70 -1.905 30.879 -4.400 1.00 0.00 H new ATOM 1129 N GLY A 71 -5.442 29.102 -2.816 1.00 0.00 N ATOM 1130 CA GLY A 71 -6.665 28.858 -3.558 1.00 0.00 C ATOM 1131 C GLY A 71 -7.661 29.992 -3.423 1.00 0.00 C ATOM 1132 O GLY A 71 -8.575 29.949 -2.600 1.00 0.00 O ATOM 0 H GLY A 71 -5.506 29.840 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.425 28.713 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.122 27.933 -3.205 1.00 0.00 H new ATOM 1136 N PRO A 72 -7.488 31.038 -4.245 1.00 0.00 N ATOM 1137 CA PRO A 72 -8.369 32.210 -4.232 1.00 0.00 C ATOM 1138 C PRO A 72 -9.761 31.894 -4.768 1.00 0.00 C ATOM 1139 O PRO A 72 -10.643 32.752 -4.774 1.00 0.00 O ATOM 1140 CB PRO A 72 -7.654 33.201 -5.153 1.00 0.00 C ATOM 1141 CG PRO A 72 -6.836 32.351 -6.064 1.00 0.00 C ATOM 1142 CD PRO A 72 -6.419 31.157 -5.251 1.00 0.00 C ATOM 0 HA PRO A 72 -8.532 32.587 -3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.367 33.807 -5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.028 33.888 -4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.413 32.047 -6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.967 32.896 -6.431 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.343 30.260 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.445 31.308 -4.786 1.00 0.00 H new ATOM 1150 N SER A 73 -9.951 30.657 -5.216 1.00 0.00 N ATOM 1151 CA SER A 73 -11.236 30.229 -5.757 1.00 0.00 C ATOM 1152 C SER A 73 -12.301 30.195 -4.665 1.00 0.00 C ATOM 1153 O SER A 73 -12.025 30.498 -3.504 1.00 0.00 O ATOM 1154 CB SER A 73 -11.107 28.848 -6.402 1.00 0.00 C ATOM 1155 OG SER A 73 -12.206 28.579 -7.255 1.00 0.00 O ATOM 0 H SER A 73 -9.232 29.934 -5.215 1.00 0.00 H new ATOM 0 HA SER A 73 -11.541 30.950 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.179 28.794 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.049 28.085 -5.626 1.00 0.00 H new ATOM 0 HG SER A 73 -12.099 27.691 -7.656 1.00 0.00 H new ATOM 1161 N SER A 74 -13.519 29.825 -5.046 1.00 0.00 N ATOM 1162 CA SER A 74 -14.628 29.755 -4.101 1.00 0.00 C ATOM 1163 C SER A 74 -14.541 28.489 -3.255 1.00 0.00 C ATOM 1164 O SER A 74 -14.777 27.384 -3.743 1.00 0.00 O ATOM 1165 CB SER A 74 -15.964 29.793 -4.846 1.00 0.00 C ATOM 1166 OG SER A 74 -15.913 30.695 -5.938 1.00 0.00 O ATOM 0 H SER A 74 -13.763 29.569 -6.003 1.00 0.00 H new ATOM 0 HA SER A 74 -14.564 30.619 -3.439 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.212 28.795 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 74 -16.758 30.091 -4.161 1.00 0.00 H new ATOM 0 HG SER A 74 -16.778 30.700 -6.399 1.00 0.00 H new ATOM 1172 N GLY A 75 -14.200 28.658 -1.981 1.00 0.00 N ATOM 1173 CA GLY A 75 -14.087 27.521 -1.085 1.00 0.00 C ATOM 1174 C GLY A 75 -14.080 27.931 0.374 1.00 0.00 C ATOM 1175 O GLY A 75 -15.127 27.977 1.018 1.00 0.00 O ATOM 0 H GLY A 75 -14.000 29.562 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.918 26.838 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.171 26.975 -1.310 1.00 0.00 H new TER 1179 GLY A 75