USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 602 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 NoAdj : A 56 ASNHD21 : A 56 ASN OD1 : A 76 CECE :(metal ligand) USER MOD NoAdj : A 56 ASNHD22 : A 56 ASN OD1 : A 76 CECE :(metal ligand) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.026) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 24 SER OG : rot -130:sc= -0.271 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -3.83! C(o=-3.8!,f=-4.6!) USER MOD Single : A 71 LYS NZ :NH3+ -146:sc= -1.35 (180deg=-2.35) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 14.144 -3.655 -2.466 1.00 0.00 N ATOM 2 CA LYS A 1 14.892 -3.655 -3.711 1.00 0.00 C ATOM 3 C LYS A 1 14.324 -4.727 -4.643 1.00 0.00 C ATOM 4 O LYS A 1 13.823 -4.415 -5.722 1.00 0.00 O ATOM 5 CB LYS A 1 16.389 -3.809 -3.437 1.00 0.00 C ATOM 6 CG LYS A 1 17.015 -2.471 -3.039 1.00 0.00 C ATOM 7 CD LYS A 1 17.378 -2.455 -1.553 1.00 0.00 C ATOM 8 CE LYS A 1 18.397 -1.355 -1.249 1.00 0.00 C ATOM 9 NZ LYS A 1 17.803 -0.020 -1.486 1.00 0.00 N ATOM 0 H1 LYS A 1 14.528 -2.927 -1.830 1.00 0.00 H new ATOM 0 H2 LYS A 1 13.143 -3.450 -2.662 1.00 0.00 H new ATOM 0 H3 LYS A 1 14.224 -4.588 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 1 14.782 -2.698 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 1 16.543 -4.538 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 1 16.887 -4.197 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 1 17.908 -2.291 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 1 16.318 -1.661 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 1 16.479 -2.298 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 1 17.786 -3.424 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 1 18.728 -1.434 -0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 1 19.279 -1.484 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 18.463 0.716 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 17.617 0.102 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 16.910 0.061 -0.959 1.00 0.00 H new ATOM 23 N SER A 2 14.420 -5.969 -4.191 1.00 0.00 N ATOM 24 CA SER A 2 13.921 -7.089 -4.971 1.00 0.00 C ATOM 25 C SER A 2 12.405 -7.207 -4.808 1.00 0.00 C ATOM 26 O SER A 2 11.820 -6.574 -3.930 1.00 0.00 O ATOM 27 CB SER A 2 14.603 -8.395 -4.556 1.00 0.00 C ATOM 28 OG SER A 2 15.609 -8.791 -5.485 1.00 0.00 O ATOM 0 H SER A 2 14.836 -6.224 -3.295 1.00 0.00 H new ATOM 0 HA SER A 2 14.153 -6.906 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.049 -8.273 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.855 -9.184 -4.473 1.00 0.00 H new ATOM 0 HG SER A 2 16.021 -9.627 -5.184 1.00 0.00 H new ATOM 34 N PRO A 3 11.795 -8.042 -5.691 1.00 0.00 N ATOM 35 CA PRO A 3 10.357 -8.251 -5.653 1.00 0.00 C ATOM 36 C PRO A 3 9.964 -9.149 -4.478 1.00 0.00 C ATOM 37 O PRO A 3 8.927 -8.938 -3.851 1.00 0.00 O ATOM 38 CB PRO A 3 10.012 -8.856 -7.004 1.00 0.00 C ATOM 39 CG PRO A 3 11.318 -9.392 -7.567 1.00 0.00 C ATOM 40 CD PRO A 3 12.455 -8.808 -6.744 1.00 0.00 C ATOM 0 HA PRO A 3 9.802 -7.327 -5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.276 -9.653 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.579 -8.108 -7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.335 -10.481 -7.522 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.424 -9.114 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.086 -9.593 -6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.098 -8.172 -7.352 1.00 0.00 H new ATOM 48 N GLU A 4 10.813 -10.131 -4.215 1.00 0.00 N ATOM 49 CA GLU A 4 10.568 -11.061 -3.127 1.00 0.00 C ATOM 50 C GLU A 4 10.447 -10.307 -1.801 1.00 0.00 C ATOM 51 O GLU A 4 9.494 -10.513 -1.051 1.00 0.00 O ATOM 52 CB GLU A 4 11.666 -12.124 -3.055 1.00 0.00 C ATOM 53 CG GLU A 4 11.075 -13.532 -3.148 1.00 0.00 C ATOM 54 CD GLU A 4 10.711 -14.066 -1.761 1.00 0.00 C ATOM 55 OE1 GLU A 4 10.122 -13.281 -0.987 1.00 0.00 O ATOM 56 OE2 GLU A 4 11.031 -15.248 -1.506 1.00 0.00 O ATOM 0 H GLU A 4 11.672 -10.303 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 4 9.625 -11.573 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.379 -11.971 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.218 -12.019 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.187 -13.517 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.793 -14.201 -3.622 1.00 0.00 H new ATOM 63 N GLU A 5 11.426 -9.450 -1.553 1.00 0.00 N ATOM 64 CA GLU A 5 11.441 -8.665 -0.330 1.00 0.00 C ATOM 65 C GLU A 5 10.196 -7.779 -0.253 1.00 0.00 C ATOM 66 O GLU A 5 9.454 -7.830 0.727 1.00 0.00 O ATOM 67 CB GLU A 5 12.717 -7.826 -0.234 1.00 0.00 C ATOM 68 CG GLU A 5 13.760 -8.514 0.649 1.00 0.00 C ATOM 69 CD GLU A 5 14.323 -7.545 1.690 1.00 0.00 C ATOM 70 OE1 GLU A 5 13.686 -7.427 2.759 1.00 0.00 O ATOM 71 OE2 GLU A 5 15.379 -6.945 1.394 1.00 0.00 O ATOM 0 H GLU A 5 12.215 -9.282 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 5 11.429 -9.349 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.128 -7.666 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.481 -6.843 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.309 -9.370 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.570 -8.898 0.029 1.00 0.00 H new ATOM 78 N LEU A 6 10.005 -6.989 -1.299 1.00 0.00 N ATOM 79 CA LEU A 6 8.862 -6.093 -1.362 1.00 0.00 C ATOM 80 C LEU A 6 7.588 -6.877 -1.043 1.00 0.00 C ATOM 81 O LEU A 6 6.800 -6.469 -0.191 1.00 0.00 O ATOM 82 CB LEU A 6 8.820 -5.372 -2.710 1.00 0.00 C ATOM 83 CG LEU A 6 9.367 -3.944 -2.725 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.416 -3.389 -4.150 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.566 -3.040 -1.785 1.00 0.00 C ATOM 0 H LEU A 6 10.622 -6.950 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 6 8.950 -5.308 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.382 -5.963 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.786 -5.347 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 6 10.392 -3.968 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.809 -2.372 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.063 -4.017 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.411 -3.382 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.976 -2.030 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.523 -3.018 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.628 -3.427 -0.768 1.00 0.00 H new ATOM 97 N LYS A 7 7.424 -7.989 -1.745 1.00 0.00 N ATOM 98 CA LYS A 7 6.258 -8.834 -1.548 1.00 0.00 C ATOM 99 C LYS A 7 6.083 -9.113 -0.054 1.00 0.00 C ATOM 100 O LYS A 7 5.088 -8.706 0.544 1.00 0.00 O ATOM 101 CB LYS A 7 6.363 -10.099 -2.402 1.00 0.00 C ATOM 102 CG LYS A 7 4.985 -10.542 -2.898 1.00 0.00 C ATOM 103 CD LYS A 7 5.062 -11.906 -3.586 1.00 0.00 C ATOM 104 CE LYS A 7 4.615 -11.809 -5.047 1.00 0.00 C ATOM 105 NZ LYS A 7 5.780 -11.911 -5.953 1.00 0.00 N ATOM 0 H LYS A 7 8.079 -8.324 -2.451 1.00 0.00 H new ATOM 0 HA LYS A 7 5.356 -8.324 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.018 -9.914 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.818 -10.899 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.292 -10.593 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.590 -9.802 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.083 -12.284 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.433 -12.621 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.903 -12.604 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.099 -10.863 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.459 -11.843 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.445 -11.138 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.256 -12.824 -5.805 1.00 0.00 H new ATOM 119 N GLY A 8 7.065 -9.805 0.505 1.00 0.00 N ATOM 120 CA GLY A 8 7.031 -10.143 1.918 1.00 0.00 C ATOM 121 C GLY A 8 6.883 -8.888 2.779 1.00 0.00 C ATOM 122 O GLY A 8 6.197 -8.908 3.799 1.00 0.00 O ATOM 0 H GLY A 8 7.889 -10.141 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.201 -10.822 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.945 -10.670 2.191 1.00 0.00 H new ATOM 126 N ILE A 9 7.538 -7.824 2.336 1.00 0.00 N ATOM 127 CA ILE A 9 7.488 -6.562 3.053 1.00 0.00 C ATOM 128 C ILE A 9 6.028 -6.147 3.246 1.00 0.00 C ATOM 129 O ILE A 9 5.594 -5.891 4.368 1.00 0.00 O ATOM 130 CB ILE A 9 8.338 -5.507 2.342 1.00 0.00 C ATOM 131 CG1 ILE A 9 9.821 -5.678 2.682 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.838 -4.096 2.656 1.00 0.00 C ATOM 133 CD1 ILE A 9 10.686 -4.730 1.850 1.00 0.00 C ATOM 0 H ILE A 9 8.106 -7.811 1.489 1.00 0.00 H new ATOM 0 HA ILE A 9 7.923 -6.672 4.046 1.00 0.00 H new ATOM 0 HB ILE A 9 8.234 -5.653 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.979 -5.484 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.124 -6.709 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.460 -3.366 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.805 -3.994 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.892 -3.921 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.735 -4.871 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.543 -4.943 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.397 -3.699 2.055 1.00 0.00 H new ATOM 145 N PHE A 10 5.310 -6.094 2.133 1.00 0.00 N ATOM 146 CA PHE A 10 3.908 -5.714 2.165 1.00 0.00 C ATOM 147 C PHE A 10 3.145 -6.522 3.217 1.00 0.00 C ATOM 148 O PHE A 10 2.445 -5.953 4.054 1.00 0.00 O ATOM 149 CB PHE A 10 3.329 -6.025 0.783 1.00 0.00 C ATOM 150 CG PHE A 10 1.807 -6.185 0.768 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.246 -7.378 1.101 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.016 -5.135 0.420 1.00 0.00 C ATOM 153 CE1 PHE A 10 -0.166 -7.527 1.087 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.396 -5.284 0.405 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.957 -6.477 0.739 1.00 0.00 C ATOM 0 H PHE A 10 5.673 -6.308 1.204 1.00 0.00 H new ATOM 0 HA PHE A 10 3.814 -4.658 2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.607 -5.226 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.784 -6.941 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.874 -8.212 1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.462 -4.188 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.612 -8.474 1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.024 -4.450 0.128 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.031 -6.591 0.728 1.00 0.00 H new ATOM 165 N GLU A 11 3.306 -7.835 3.141 1.00 0.00 N ATOM 166 CA GLU A 11 2.642 -8.726 4.076 1.00 0.00 C ATOM 167 C GLU A 11 3.086 -8.420 5.508 1.00 0.00 C ATOM 168 O GLU A 11 2.253 -8.222 6.391 1.00 0.00 O ATOM 169 CB GLU A 11 2.907 -10.190 3.721 1.00 0.00 C ATOM 170 CG GLU A 11 1.614 -10.896 3.305 1.00 0.00 C ATOM 171 CD GLU A 11 1.569 -12.324 3.854 1.00 0.00 C ATOM 172 OE1 GLU A 11 1.882 -12.481 5.053 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.222 -13.226 3.060 1.00 0.00 O ATOM 0 H GLU A 11 3.887 -8.303 2.446 1.00 0.00 H new ATOM 0 HA GLU A 11 1.567 -8.558 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.633 -10.246 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.346 -10.702 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.755 -10.334 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.541 -10.918 2.218 1.00 0.00 H new ATOM 180 N LYS A 12 4.398 -8.391 5.693 1.00 0.00 N ATOM 181 CA LYS A 12 4.962 -8.113 7.003 1.00 0.00 C ATOM 182 C LYS A 12 4.223 -6.930 7.631 1.00 0.00 C ATOM 183 O LYS A 12 4.156 -6.814 8.854 1.00 0.00 O ATOM 184 CB LYS A 12 6.475 -7.909 6.901 1.00 0.00 C ATOM 185 CG LYS A 12 7.171 -8.307 8.204 1.00 0.00 C ATOM 186 CD LYS A 12 7.185 -7.142 9.196 1.00 0.00 C ATOM 187 CE LYS A 12 8.480 -7.132 10.012 1.00 0.00 C ATOM 188 NZ LYS A 12 8.201 -6.778 11.422 1.00 0.00 N ATOM 0 H LYS A 12 5.086 -8.555 4.958 1.00 0.00 H new ATOM 0 HA LYS A 12 4.822 -8.966 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.871 -8.503 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.690 -6.865 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.659 -9.161 8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.193 -8.622 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.083 -6.200 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.329 -7.220 9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.955 -8.112 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.182 -6.417 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.090 -6.776 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.768 -5.833 11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.549 -7.476 11.833 1.00 0.00 H new ATOM 202 N TYR A 13 3.688 -6.081 6.766 1.00 0.00 N ATOM 203 CA TYR A 13 2.956 -4.911 7.221 1.00 0.00 C ATOM 204 C TYR A 13 1.452 -5.186 7.263 1.00 0.00 C ATOM 205 O TYR A 13 0.766 -4.770 8.195 1.00 0.00 O ATOM 206 CB TYR A 13 3.234 -3.813 6.192 1.00 0.00 C ATOM 207 CG TYR A 13 4.500 -3.002 6.473 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.733 -3.622 6.462 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.409 -1.651 6.737 1.00 0.00 C ATOM 210 CE1 TYR A 13 6.925 -2.858 6.726 1.00 0.00 C ATOM 211 CE2 TYR A 13 5.601 -0.887 7.001 1.00 0.00 C ATOM 212 CZ TYR A 13 6.800 -1.529 6.983 1.00 0.00 C ATOM 213 OH TYR A 13 7.926 -0.807 7.233 1.00 0.00 O ATOM 0 H TYR A 13 3.747 -6.180 5.753 1.00 0.00 H new ATOM 0 HA TYR A 13 3.269 -4.630 8.227 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.318 -4.267 5.205 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.381 -3.135 6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.804 -4.680 6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.444 -1.166 6.746 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.896 -3.330 6.720 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.544 0.171 7.208 1.00 0.00 H new ATOM 0 HH TYR A 13 7.685 0.128 7.398 1.00 0.00 H new ATOM 223 N ALA A 14 0.983 -5.887 6.240 1.00 0.00 N ATOM 224 CA ALA A 14 -0.428 -6.223 6.148 1.00 0.00 C ATOM 225 C ALA A 14 -0.802 -7.153 7.303 1.00 0.00 C ATOM 226 O ALA A 14 -1.951 -7.171 7.743 1.00 0.00 O ATOM 227 CB ALA A 14 -0.716 -6.846 4.781 1.00 0.00 C ATOM 0 H ALA A 14 1.555 -6.231 5.469 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.043 -5.327 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.774 -7.098 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.460 -6.135 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.119 -7.750 4.660 1.00 0.00 H new ATOM 233 N ALA A 15 0.188 -7.904 7.762 1.00 0.00 N ATOM 234 CA ALA A 15 -0.023 -8.835 8.857 1.00 0.00 C ATOM 235 C ALA A 15 -0.359 -8.052 10.128 1.00 0.00 C ATOM 236 O ALA A 15 -1.186 -8.486 10.928 1.00 0.00 O ATOM 237 CB ALA A 15 1.217 -9.715 9.026 1.00 0.00 C ATOM 0 H ALA A 15 1.140 -7.887 7.395 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.864 -9.495 8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.058 -10.413 9.848 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.396 -10.272 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.081 -9.088 9.245 1.00 0.00 H new ATOM 243 N LYS A 16 0.301 -6.912 10.274 1.00 0.00 N ATOM 244 CA LYS A 16 0.082 -6.064 11.434 1.00 0.00 C ATOM 245 C LYS A 16 -1.409 -5.744 11.553 1.00 0.00 C ATOM 246 O LYS A 16 -2.060 -6.146 12.516 1.00 0.00 O ATOM 247 CB LYS A 16 0.975 -4.824 11.367 1.00 0.00 C ATOM 248 CG LYS A 16 2.169 -4.955 12.314 1.00 0.00 C ATOM 249 CD LYS A 16 3.093 -3.740 12.205 1.00 0.00 C ATOM 250 CE LYS A 16 3.409 -3.165 13.587 1.00 0.00 C ATOM 251 NZ LYS A 16 2.464 -2.078 13.924 1.00 0.00 N ATOM 0 H LYS A 16 0.987 -6.556 9.609 1.00 0.00 H new ATOM 0 HA LYS A 16 0.369 -6.586 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.330 -4.682 10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.395 -3.939 11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.814 -5.056 13.340 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.726 -5.862 12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.019 -4.026 11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.622 -2.975 11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.349 -3.953 14.338 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.431 -2.785 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.692 -1.699 14.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.541 -1.319 13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.493 -2.451 13.927 1.00 0.00 H new ATOM 265 N GLU A 17 -1.907 -5.022 10.559 1.00 0.00 N ATOM 266 CA GLU A 17 -3.310 -4.643 10.540 1.00 0.00 C ATOM 267 C GLU A 17 -4.080 -5.510 9.543 1.00 0.00 C ATOM 268 O GLU A 17 -3.675 -5.644 8.389 1.00 0.00 O ATOM 269 CB GLU A 17 -3.471 -3.157 10.214 1.00 0.00 C ATOM 270 CG GLU A 17 -2.858 -2.285 11.312 1.00 0.00 C ATOM 271 CD GLU A 17 -3.788 -1.126 11.675 1.00 0.00 C ATOM 272 OE1 GLU A 17 -3.829 -0.161 10.881 1.00 0.00 O ATOM 273 OE2 GLU A 17 -4.437 -1.231 12.738 1.00 0.00 O ATOM 0 H GLU A 17 -1.364 -4.690 9.762 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.726 -4.811 11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.992 -2.936 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.529 -2.918 10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.664 -2.891 12.197 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.897 -1.894 10.977 1.00 0.00 H new ATOM 280 N GLY A 18 -5.177 -6.076 10.023 1.00 0.00 N ATOM 281 CA GLY A 18 -6.008 -6.926 9.188 1.00 0.00 C ATOM 282 C GLY A 18 -5.200 -8.093 8.618 1.00 0.00 C ATOM 283 O GLY A 18 -4.006 -8.216 8.888 1.00 0.00 O ATOM 0 H GLY A 18 -5.510 -5.963 10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.845 -7.309 9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.431 -6.339 8.373 1.00 0.00 H new ATOM 287 N ASP A 19 -5.883 -8.920 7.840 1.00 0.00 N ATOM 288 CA ASP A 19 -5.243 -10.073 7.229 1.00 0.00 C ATOM 289 C ASP A 19 -3.949 -9.629 6.543 1.00 0.00 C ATOM 290 O ASP A 19 -3.644 -8.438 6.497 1.00 0.00 O ATOM 291 CB ASP A 19 -6.146 -10.708 6.170 1.00 0.00 C ATOM 292 CG ASP A 19 -6.550 -12.157 6.449 1.00 0.00 C ATOM 293 OD1 ASP A 19 -6.235 -12.630 7.562 1.00 0.00 O ATOM 294 OD2 ASP A 19 -7.165 -12.759 5.542 1.00 0.00 O ATOM 0 H ASP A 19 -6.873 -8.815 7.619 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.041 -10.802 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.050 -10.106 6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.636 -10.668 5.208 1.00 0.00 H new ATOM 299 N PRO A 20 -3.204 -10.636 6.014 1.00 0.00 N ATOM 300 CA PRO A 20 -1.951 -10.362 5.333 1.00 0.00 C ATOM 301 C PRO A 20 -2.200 -9.770 3.944 1.00 0.00 C ATOM 302 O PRO A 20 -1.264 -9.344 3.269 1.00 0.00 O ATOM 303 CB PRO A 20 -1.227 -11.697 5.288 1.00 0.00 C ATOM 304 CG PRO A 20 -2.290 -12.757 5.527 1.00 0.00 C ATOM 305 CD PRO A 20 -3.534 -12.058 6.051 1.00 0.00 C ATOM 0 HA PRO A 20 -1.348 -9.614 5.848 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.739 -11.844 4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.449 -11.745 6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.512 -13.290 4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.937 -13.497 6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.403 -12.279 5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.774 -12.383 7.064 1.00 0.00 H new ATOM 313 N ASN A 21 -3.467 -9.762 3.558 1.00 0.00 N ATOM 314 CA ASN A 21 -3.852 -9.230 2.262 1.00 0.00 C ATOM 315 C ASN A 21 -4.616 -7.919 2.459 1.00 0.00 C ATOM 316 O ASN A 21 -5.216 -7.398 1.520 1.00 0.00 O ATOM 317 CB ASN A 21 -4.767 -10.203 1.516 1.00 0.00 C ATOM 318 CG ASN A 21 -4.179 -11.615 1.512 1.00 0.00 C ATOM 319 OD1 ASN A 21 -4.391 -12.407 2.416 1.00 0.00 O ATOM 320 ND2 ASN A 21 -3.430 -11.886 0.447 1.00 0.00 N ATOM 0 H ASN A 21 -4.241 -10.116 4.120 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.944 -9.071 1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.750 -10.216 1.986 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.908 -9.861 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.993 -12.802 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.293 -11.177 -0.274 1.00 0.00 H new ATOM 327 N GLN A 22 -4.569 -7.423 3.687 1.00 0.00 N ATOM 328 CA GLN A 22 -5.249 -6.184 4.020 1.00 0.00 C ATOM 329 C GLN A 22 -4.243 -5.142 4.515 1.00 0.00 C ATOM 330 O GLN A 22 -3.385 -5.446 5.342 1.00 0.00 O ATOM 331 CB GLN A 22 -6.346 -6.422 5.060 1.00 0.00 C ATOM 332 CG GLN A 22 -7.709 -6.596 4.387 1.00 0.00 C ATOM 333 CD GLN A 22 -8.697 -7.296 5.324 1.00 0.00 C ATOM 334 OE1 GLN A 22 -9.238 -6.711 6.247 1.00 0.00 O ATOM 335 NE2 GLN A 22 -8.900 -8.579 5.035 1.00 0.00 N ATOM 0 H GLN A 22 -4.070 -7.858 4.463 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.726 -5.801 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.110 -7.310 5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.383 -5.582 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.103 -5.622 4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.595 -7.177 3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.414 -9.007 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.541 -9.134 5.601 1.00 0.00 H new ATOM 344 N LEU A 23 -4.381 -3.935 3.986 1.00 0.00 N ATOM 345 CA LEU A 23 -3.495 -2.847 4.363 1.00 0.00 C ATOM 346 C LEU A 23 -4.298 -1.773 5.099 1.00 0.00 C ATOM 347 O LEU A 23 -5.528 -1.798 5.093 1.00 0.00 O ATOM 348 CB LEU A 23 -2.741 -2.322 3.140 1.00 0.00 C ATOM 349 CG LEU A 23 -1.531 -3.145 2.693 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.228 -2.526 3.202 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.676 -4.607 3.118 1.00 0.00 C ATOM 0 H LEU A 23 -5.093 -3.687 3.299 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.729 -3.201 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.440 -2.259 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.406 -1.307 3.353 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.490 -3.129 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.616 -3.131 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.127 -1.515 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.243 -2.491 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.803 -5.170 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.756 -4.664 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.573 -5.030 2.666 1.00 0.00 H new ATOM 363 N SER A 24 -3.570 -0.854 5.716 1.00 0.00 N ATOM 364 CA SER A 24 -4.199 0.228 6.455 1.00 0.00 C ATOM 365 C SER A 24 -3.468 1.544 6.180 1.00 0.00 C ATOM 366 O SER A 24 -2.272 1.546 5.897 1.00 0.00 O ATOM 367 CB SER A 24 -4.214 -0.067 7.956 1.00 0.00 C ATOM 368 OG SER A 24 -4.777 -1.344 8.244 1.00 0.00 O ATOM 0 H SER A 24 -2.550 -0.836 5.719 1.00 0.00 H new ATOM 0 HA SER A 24 -5.232 0.317 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.196 -0.024 8.344 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.785 0.705 8.471 1.00 0.00 H new ATOM 0 HG SER A 24 -5.458 -1.251 8.942 1.00 0.00 H new ATOM 374 N LYS A 25 -4.220 2.631 6.274 1.00 0.00 N ATOM 375 CA LYS A 25 -3.659 3.951 6.039 1.00 0.00 C ATOM 376 C LYS A 25 -2.378 4.110 6.861 1.00 0.00 C ATOM 377 O LYS A 25 -1.305 4.341 6.307 1.00 0.00 O ATOM 378 CB LYS A 25 -4.704 5.034 6.313 1.00 0.00 C ATOM 379 CG LYS A 25 -4.210 6.404 5.843 1.00 0.00 C ATOM 380 CD LYS A 25 -4.713 7.515 6.767 1.00 0.00 C ATOM 381 CE LYS A 25 -5.770 8.372 6.068 1.00 0.00 C ATOM 382 NZ LYS A 25 -6.901 8.649 6.983 1.00 0.00 N ATOM 0 H LYS A 25 -5.212 2.625 6.510 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.382 4.066 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.634 4.784 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.925 5.069 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.120 6.413 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.554 6.589 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.135 7.077 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.877 8.142 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.325 9.310 5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.132 7.858 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.609 9.232 6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.336 7.752 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.553 9.158 7.820 1.00 0.00 H new ATOM 396 N GLU A 26 -2.534 3.979 8.170 1.00 0.00 N ATOM 397 CA GLU A 26 -1.403 4.105 9.075 1.00 0.00 C ATOM 398 C GLU A 26 -0.289 3.137 8.670 1.00 0.00 C ATOM 399 O GLU A 26 0.892 3.455 8.800 1.00 0.00 O ATOM 400 CB GLU A 26 -1.832 3.872 10.525 1.00 0.00 C ATOM 401 CG GLU A 26 -1.989 5.199 11.270 1.00 0.00 C ATOM 402 CD GLU A 26 -2.832 6.187 10.460 1.00 0.00 C ATOM 403 OE1 GLU A 26 -3.900 5.756 9.975 1.00 0.00 O ATOM 404 OE2 GLU A 26 -2.389 7.350 10.346 1.00 0.00 O ATOM 0 H GLU A 26 -3.426 3.787 8.626 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.017 5.122 9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.775 3.325 10.546 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.093 3.252 11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.458 5.023 12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.007 5.629 11.465 1.00 0.00 H new ATOM 411 N GLU A 27 -0.705 1.975 8.189 1.00 0.00 N ATOM 412 CA GLU A 27 0.243 0.959 7.765 1.00 0.00 C ATOM 413 C GLU A 27 0.958 1.400 6.486 1.00 0.00 C ATOM 414 O GLU A 27 2.168 1.622 6.493 1.00 0.00 O ATOM 415 CB GLU A 27 -0.452 -0.390 7.566 1.00 0.00 C ATOM 416 CG GLU A 27 -0.495 -1.183 8.874 1.00 0.00 C ATOM 417 CD GLU A 27 0.719 -2.107 8.995 1.00 0.00 C ATOM 418 OE1 GLU A 27 1.282 -2.446 7.932 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.055 -2.454 10.147 1.00 0.00 O ATOM 0 H GLU A 27 -1.685 1.714 8.083 1.00 0.00 H new ATOM 0 HA GLU A 27 0.988 0.835 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.466 -0.230 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.075 -0.966 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.519 -0.496 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.411 -1.772 8.916 1.00 0.00 H new ATOM 426 N LEU A 28 0.180 1.515 5.420 1.00 0.00 N ATOM 427 CA LEU A 28 0.725 1.927 4.137 1.00 0.00 C ATOM 428 C LEU A 28 1.669 3.113 4.345 1.00 0.00 C ATOM 429 O LEU A 28 2.777 3.129 3.812 1.00 0.00 O ATOM 430 CB LEU A 28 -0.403 2.206 3.142 1.00 0.00 C ATOM 431 CG LEU A 28 -0.020 2.148 1.661 1.00 0.00 C ATOM 432 CD1 LEU A 28 1.201 1.253 1.446 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.210 1.710 0.804 1.00 0.00 C ATOM 0 H LEU A 28 -0.823 1.330 5.418 1.00 0.00 H new ATOM 0 HA LEU A 28 1.316 1.123 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.203 1.487 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.811 3.195 3.353 1.00 0.00 H new ATOM 0 HG LEU A 28 0.256 3.152 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.452 1.229 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.046 1.648 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.977 0.243 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.911 1.677 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.540 0.720 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.027 2.421 0.926 1.00 0.00 H new ATOM 445 N LYS A 29 1.195 4.076 5.122 1.00 0.00 N ATOM 446 CA LYS A 29 1.984 5.263 5.408 1.00 0.00 C ATOM 447 C LYS A 29 3.439 4.857 5.646 1.00 0.00 C ATOM 448 O LYS A 29 4.341 5.334 4.958 1.00 0.00 O ATOM 449 CB LYS A 29 1.367 6.050 6.565 1.00 0.00 C ATOM 450 CG LYS A 29 2.105 7.372 6.784 1.00 0.00 C ATOM 451 CD LYS A 29 1.143 8.468 7.246 1.00 0.00 C ATOM 452 CE LYS A 29 1.672 9.171 8.498 1.00 0.00 C ATOM 453 NZ LYS A 29 1.185 8.492 9.719 1.00 0.00 N ATOM 0 H LYS A 29 0.275 4.059 5.562 1.00 0.00 H new ATOM 0 HA LYS A 29 1.978 5.940 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.316 6.247 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.404 5.453 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.890 7.235 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.593 7.678 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.005 9.196 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.165 8.034 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.762 9.174 8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.350 10.212 8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.553 8.982 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.145 8.511 9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.514 7.505 9.722 1.00 0.00 H new ATOM 467 N LEU A 30 3.624 3.982 6.624 1.00 0.00 N ATOM 468 CA LEU A 30 4.955 3.507 6.962 1.00 0.00 C ATOM 469 C LEU A 30 5.626 2.948 5.706 1.00 0.00 C ATOM 470 O LEU A 30 6.708 3.394 5.325 1.00 0.00 O ATOM 471 CB LEU A 30 4.890 2.510 8.120 1.00 0.00 C ATOM 472 CG LEU A 30 4.284 3.035 9.424 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.668 2.143 10.605 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.672 4.496 9.659 1.00 0.00 C ATOM 0 H LEU A 30 2.874 3.590 7.193 1.00 0.00 H new ATOM 0 HA LEU A 30 5.575 4.331 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.312 1.645 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.901 2.158 8.328 1.00 0.00 H new ATOM 0 HG LEU A 30 3.198 3.000 9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.225 2.538 11.519 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.301 1.132 10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.753 2.122 10.708 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.229 4.845 10.592 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.757 4.579 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.307 5.107 8.833 1.00 0.00 H new ATOM 486 N LEU A 31 4.958 1.979 5.098 1.00 0.00 N ATOM 487 CA LEU A 31 5.476 1.354 3.893 1.00 0.00 C ATOM 488 C LEU A 31 5.929 2.440 2.915 1.00 0.00 C ATOM 489 O LEU A 31 7.118 2.559 2.622 1.00 0.00 O ATOM 490 CB LEU A 31 4.446 0.388 3.305 1.00 0.00 C ATOM 491 CG LEU A 31 5.010 -0.791 2.509 1.00 0.00 C ATOM 492 CD1 LEU A 31 5.179 -2.024 3.399 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.147 -1.085 1.280 1.00 0.00 C ATOM 0 H LEU A 31 4.062 1.611 5.418 1.00 0.00 H new ATOM 0 HA LEU A 31 6.351 0.747 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.840 -0.007 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.777 0.953 2.655 1.00 0.00 H new ATOM 0 HG LEU A 31 6.001 -0.517 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.581 -2.847 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.865 -1.793 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.211 -2.312 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.570 -1.927 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.134 -1.330 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.122 -0.207 0.634 1.00 0.00 H new ATOM 505 N LEU A 32 4.958 3.204 2.437 1.00 0.00 N ATOM 506 CA LEU A 32 5.242 4.275 1.498 1.00 0.00 C ATOM 507 C LEU A 32 6.374 5.145 2.050 1.00 0.00 C ATOM 508 O LEU A 32 7.048 5.845 1.296 1.00 0.00 O ATOM 509 CB LEU A 32 3.967 5.057 1.175 1.00 0.00 C ATOM 510 CG LEU A 32 2.852 4.267 0.489 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.642 5.160 0.204 1.00 0.00 C ATOM 512 CD2 LEU A 32 3.366 3.578 -0.777 1.00 0.00 C ATOM 0 H LEU A 32 3.973 3.102 2.683 1.00 0.00 H new ATOM 0 HA LEU A 32 5.587 3.867 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.574 5.471 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.233 5.900 0.537 1.00 0.00 H new ATOM 0 HG LEU A 32 2.521 3.483 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.864 4.573 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.259 5.563 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.941 5.980 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.553 3.023 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.741 4.328 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.171 2.891 -0.516 1.00 0.00 H new ATOM 524 N GLN A 33 6.547 5.072 3.362 1.00 0.00 N ATOM 525 CA GLN A 33 7.585 5.843 4.024 1.00 0.00 C ATOM 526 C GLN A 33 8.965 5.277 3.685 1.00 0.00 C ATOM 527 O GLN A 33 9.823 5.990 3.168 1.00 0.00 O ATOM 528 CB GLN A 33 7.362 5.877 5.537 1.00 0.00 C ATOM 529 CG GLN A 33 7.523 7.297 6.083 1.00 0.00 C ATOM 530 CD GLN A 33 7.363 7.320 7.605 1.00 0.00 C ATOM 531 OE1 GLN A 33 8.317 7.207 8.357 1.00 0.00 O ATOM 532 NE2 GLN A 33 6.107 7.473 8.015 1.00 0.00 N ATOM 0 H GLN A 33 5.985 4.491 3.984 1.00 0.00 H new ATOM 0 HA GLN A 33 7.536 6.869 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.364 5.505 5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.073 5.212 6.028 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.504 7.686 5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.782 7.953 5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.355 7.562 7.332 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.896 7.502 9.013 1.00 0.00 H new ATOM 541 N THR A 34 9.136 3.999 3.990 1.00 0.00 N ATOM 542 CA THR A 34 10.398 3.328 3.725 1.00 0.00 C ATOM 543 C THR A 34 10.416 2.771 2.300 1.00 0.00 C ATOM 544 O THR A 34 11.354 3.019 1.544 1.00 0.00 O ATOM 545 CB THR A 34 10.599 2.257 4.799 1.00 0.00 C ATOM 546 OG1 THR A 34 11.531 2.844 5.703 1.00 0.00 O ATOM 547 CG2 THR A 34 11.325 1.021 4.264 1.00 0.00 C ATOM 0 H THR A 34 8.422 3.410 4.418 1.00 0.00 H new ATOM 0 HA THR A 34 11.235 4.024 3.779 1.00 0.00 H new ATOM 0 HB THR A 34 9.631 1.962 5.204 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.717 2.218 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.442 0.292 5.066 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.744 0.580 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.307 1.310 3.890 1.00 0.00 H new ATOM 555 N GLU A 35 9.368 2.027 1.976 1.00 0.00 N ATOM 556 CA GLU A 35 9.251 1.432 0.656 1.00 0.00 C ATOM 557 C GLU A 35 9.541 2.477 -0.424 1.00 0.00 C ATOM 558 O GLU A 35 10.525 2.365 -1.153 1.00 0.00 O ATOM 559 CB GLU A 35 7.869 0.806 0.456 1.00 0.00 C ATOM 560 CG GLU A 35 7.683 0.337 -0.988 1.00 0.00 C ATOM 561 CD GLU A 35 6.419 -0.514 -1.130 1.00 0.00 C ATOM 562 OE1 GLU A 35 6.515 -1.725 -0.835 1.00 0.00 O ATOM 563 OE2 GLU A 35 5.387 0.066 -1.529 1.00 0.00 O ATOM 0 H GLU A 35 8.592 1.823 2.606 1.00 0.00 H new ATOM 0 HA GLU A 35 9.990 0.635 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.747 -0.038 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.097 1.533 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.620 1.201 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.552 -0.241 -1.301 1.00 0.00 H new ATOM 570 N PHE A 36 8.665 3.469 -0.493 1.00 0.00 N ATOM 571 CA PHE A 36 8.815 4.533 -1.471 1.00 0.00 C ATOM 572 C PHE A 36 8.229 5.846 -0.948 1.00 0.00 C ATOM 573 O PHE A 36 7.035 6.099 -1.095 1.00 0.00 O ATOM 574 CB PHE A 36 8.040 4.104 -2.719 1.00 0.00 C ATOM 575 CG PHE A 36 8.835 3.204 -3.667 1.00 0.00 C ATOM 576 CD1 PHE A 36 10.022 3.631 -4.175 1.00 0.00 C ATOM 577 CD2 PHE A 36 8.354 1.976 -4.001 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.760 2.796 -5.054 1.00 0.00 C ATOM 579 CE2 PHE A 36 9.092 1.141 -4.881 1.00 0.00 C ATOM 580 CZ PHE A 36 10.279 1.568 -5.389 1.00 0.00 C ATOM 0 H PHE A 36 7.849 3.558 0.113 1.00 0.00 H new ATOM 0 HA PHE A 36 9.871 4.697 -1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.136 3.580 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.723 4.995 -3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.403 4.606 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.412 1.637 -3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.703 3.135 -5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.710 0.166 -5.147 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.840 0.932 -6.058 1.00 0.00 H new ATOM 590 N PRO A 37 9.121 6.667 -0.332 1.00 0.00 N ATOM 591 CA PRO A 37 8.706 7.948 0.215 1.00 0.00 C ATOM 592 C PRO A 37 8.479 8.972 -0.900 1.00 0.00 C ATOM 593 O PRO A 37 7.872 10.017 -0.673 1.00 0.00 O ATOM 594 CB PRO A 37 9.817 8.347 1.171 1.00 0.00 C ATOM 595 CG PRO A 37 11.024 7.510 0.780 1.00 0.00 C ATOM 596 CD PRO A 37 10.543 6.400 -0.139 1.00 0.00 C ATOM 0 HA PRO A 37 7.751 7.893 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.037 9.411 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.529 8.158 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.769 8.126 0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.502 7.092 1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.080 6.411 -1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.704 5.419 0.307 1.00 0.00 H new ATOM 604 N SER A 38 8.981 8.636 -2.079 1.00 0.00 N ATOM 605 CA SER A 38 8.841 9.513 -3.229 1.00 0.00 C ATOM 606 C SER A 38 7.422 9.415 -3.793 1.00 0.00 C ATOM 607 O SER A 38 6.889 10.392 -4.315 1.00 0.00 O ATOM 608 CB SER A 38 9.867 9.170 -4.311 1.00 0.00 C ATOM 609 OG SER A 38 10.972 10.070 -4.303 1.00 0.00 O ATOM 0 H SER A 38 9.485 7.769 -2.263 1.00 0.00 H new ATOM 0 HA SER A 38 9.025 10.537 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.227 8.152 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.385 9.196 -5.289 1.00 0.00 H new ATOM 0 HG SER A 38 11.605 9.817 -5.007 1.00 0.00 H new ATOM 615 N LEU A 39 6.851 8.225 -3.669 1.00 0.00 N ATOM 616 CA LEU A 39 5.505 7.987 -4.159 1.00 0.00 C ATOM 617 C LEU A 39 4.516 8.834 -3.355 1.00 0.00 C ATOM 618 O LEU A 39 3.411 9.112 -3.819 1.00 0.00 O ATOM 619 CB LEU A 39 5.186 6.490 -4.145 1.00 0.00 C ATOM 620 CG LEU A 39 4.881 5.856 -5.504 1.00 0.00 C ATOM 621 CD1 LEU A 39 3.416 6.069 -5.891 1.00 0.00 C ATOM 622 CD2 LEU A 39 5.839 6.375 -6.578 1.00 0.00 C ATOM 0 H LEU A 39 7.297 7.416 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 39 5.419 8.298 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.031 5.963 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.330 6.327 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 39 5.040 4.781 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.225 5.609 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.771 5.613 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.207 7.137 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.601 5.909 -7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.736 7.457 -6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.864 6.130 -6.300 1.00 0.00 H new ATOM 634 N LEU A 40 4.949 9.220 -2.164 1.00 0.00 N ATOM 635 CA LEU A 40 4.116 10.030 -1.292 1.00 0.00 C ATOM 636 C LEU A 40 4.082 11.467 -1.815 1.00 0.00 C ATOM 637 O LEU A 40 3.024 12.093 -1.851 1.00 0.00 O ATOM 638 CB LEU A 40 4.589 9.915 0.159 1.00 0.00 C ATOM 639 CG LEU A 40 4.509 8.520 0.782 1.00 0.00 C ATOM 640 CD1 LEU A 40 5.304 8.456 2.087 1.00 0.00 C ATOM 641 CD2 LEU A 40 3.053 8.089 0.976 1.00 0.00 C ATOM 0 H LEU A 40 5.866 8.987 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 40 3.089 9.664 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.623 10.256 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.997 10.598 0.768 1.00 0.00 H new ATOM 0 HG LEU A 40 4.966 7.811 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.230 7.454 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.350 8.690 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.899 9.179 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.024 7.094 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.549 8.796 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.547 8.070 0.011 1.00 0.00 H new ATOM 653 N LYS A 41 5.252 11.947 -2.209 1.00 0.00 N ATOM 654 CA LYS A 41 5.369 13.299 -2.729 1.00 0.00 C ATOM 655 C LYS A 41 4.588 13.406 -4.041 1.00 0.00 C ATOM 656 O LYS A 41 4.118 14.484 -4.402 1.00 0.00 O ATOM 657 CB LYS A 41 6.841 13.699 -2.855 1.00 0.00 C ATOM 658 CG LYS A 41 7.513 12.959 -4.014 1.00 0.00 C ATOM 659 CD LYS A 41 8.445 13.890 -4.792 1.00 0.00 C ATOM 660 CE LYS A 41 8.523 13.481 -6.264 1.00 0.00 C ATOM 661 NZ LYS A 41 9.383 14.422 -7.018 1.00 0.00 N ATOM 0 H LYS A 41 6.127 11.424 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 41 4.926 14.014 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.917 14.775 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.363 13.476 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.079 12.111 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.752 12.557 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.087 14.917 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.441 13.865 -4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.921 12.470 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.523 13.466 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.426 14.130 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.987 15.381 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.341 14.416 -6.614 1.00 0.00 H new ATOM 675 N GLY A 42 4.474 12.273 -4.718 1.00 0.00 N ATOM 676 CA GLY A 42 3.759 12.225 -5.982 1.00 0.00 C ATOM 677 C GLY A 42 2.394 12.908 -5.865 1.00 0.00 C ATOM 678 O GLY A 42 1.985 13.303 -4.775 1.00 0.00 O ATOM 0 H GLY A 42 4.865 11.381 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.349 12.714 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.626 11.188 -6.290 1.00 0.00 H new ATOM 682 N MET A 43 1.727 13.024 -7.004 1.00 0.00 N ATOM 683 CA MET A 43 0.418 13.652 -7.043 1.00 0.00 C ATOM 684 C MET A 43 -0.604 12.840 -6.245 1.00 0.00 C ATOM 685 O MET A 43 -1.711 13.309 -5.988 1.00 0.00 O ATOM 686 CB MET A 43 -0.048 13.772 -8.496 1.00 0.00 C ATOM 687 CG MET A 43 0.680 14.910 -9.213 1.00 0.00 C ATOM 688 SD MET A 43 1.223 14.368 -10.825 1.00 0.00 S ATOM 689 CE MET A 43 2.223 15.767 -11.303 1.00 0.00 C ATOM 0 H MET A 43 2.069 12.694 -7.906 1.00 0.00 H new ATOM 0 HA MET A 43 0.498 14.642 -6.594 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.134 12.833 -9.019 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.123 13.949 -8.523 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.018 15.770 -9.313 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.536 15.234 -8.622 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.642 15.593 -12.294 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.606 16.665 -11.323 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.032 15.898 -10.585 1.00 0.00 H new ATOM 699 N SER A 44 -0.195 11.635 -5.875 1.00 0.00 N ATOM 700 CA SER A 44 -1.061 10.753 -5.111 1.00 0.00 C ATOM 701 C SER A 44 -0.674 10.794 -3.631 1.00 0.00 C ATOM 702 O SER A 44 0.266 10.120 -3.212 1.00 0.00 O ATOM 703 CB SER A 44 -0.990 9.319 -5.639 1.00 0.00 C ATOM 704 OG SER A 44 -1.083 9.268 -7.060 1.00 0.00 O ATOM 0 H SER A 44 0.724 11.249 -6.090 1.00 0.00 H new ATOM 0 HA SER A 44 -2.088 11.101 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.053 8.861 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.797 8.731 -5.202 1.00 0.00 H new ATOM 0 HG SER A 44 -1.032 8.336 -7.358 1.00 0.00 H new ATOM 710 N THR A 45 -1.420 11.590 -2.879 1.00 0.00 N ATOM 711 CA THR A 45 -1.167 11.728 -1.455 1.00 0.00 C ATOM 712 C THR A 45 -1.685 10.501 -0.701 1.00 0.00 C ATOM 713 O THR A 45 -2.390 9.670 -1.270 1.00 0.00 O ATOM 714 CB THR A 45 -1.798 13.040 -0.987 1.00 0.00 C ATOM 715 OG1 THR A 45 -3.174 12.907 -1.333 1.00 0.00 O ATOM 716 CG2 THR A 45 -1.323 14.243 -1.805 1.00 0.00 C ATOM 0 H THR A 45 -2.200 12.146 -3.229 1.00 0.00 H new ATOM 0 HA THR A 45 -0.098 11.773 -1.245 1.00 0.00 H new ATOM 0 HB THR A 45 -1.562 13.200 0.065 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.659 13.715 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.801 15.149 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.241 14.340 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.588 14.098 -2.852 1.00 0.00 H new ATOM 724 N LEU A 46 -1.315 10.428 0.570 1.00 0.00 N ATOM 725 CA LEU A 46 -1.734 9.317 1.408 1.00 0.00 C ATOM 726 C LEU A 46 -3.234 9.080 1.221 1.00 0.00 C ATOM 727 O LEU A 46 -3.644 8.034 0.720 1.00 0.00 O ATOM 728 CB LEU A 46 -1.326 9.560 2.862 1.00 0.00 C ATOM 729 CG LEU A 46 -1.055 8.309 3.700 1.00 0.00 C ATOM 730 CD1 LEU A 46 0.441 8.150 3.979 1.00 0.00 C ATOM 731 CD2 LEU A 46 -1.880 8.323 4.989 1.00 0.00 C ATOM 0 H LEU A 46 -0.730 11.120 1.039 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.227 8.400 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.429 10.179 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.114 10.135 3.348 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.370 7.438 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.606 7.253 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.980 8.062 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.804 9.021 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.669 7.423 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.619 9.202 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.941 8.354 4.742 1.00 0.00 H new ATOM 743 N ASP A 47 -4.013 10.069 1.635 1.00 0.00 N ATOM 744 CA ASP A 47 -5.459 9.982 1.519 1.00 0.00 C ATOM 745 C ASP A 47 -5.827 9.534 0.103 1.00 0.00 C ATOM 746 O ASP A 47 -6.654 8.641 -0.074 1.00 0.00 O ATOM 747 CB ASP A 47 -6.115 11.341 1.771 1.00 0.00 C ATOM 748 CG ASP A 47 -7.438 11.288 2.538 1.00 0.00 C ATOM 749 OD1 ASP A 47 -7.370 11.154 3.779 1.00 0.00 O ATOM 750 OD2 ASP A 47 -8.487 11.384 1.865 1.00 0.00 O ATOM 0 H ASP A 47 -3.670 10.935 2.051 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.814 9.267 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.416 11.968 2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.288 11.828 0.811 1.00 0.00 H new ATOM 755 N GLU A 48 -5.196 10.176 -0.869 1.00 0.00 N ATOM 756 CA GLU A 48 -5.446 9.856 -2.263 1.00 0.00 C ATOM 757 C GLU A 48 -5.223 8.363 -2.513 1.00 0.00 C ATOM 758 O GLU A 48 -6.040 7.709 -3.160 1.00 0.00 O ATOM 759 CB GLU A 48 -4.569 10.703 -3.187 1.00 0.00 C ATOM 760 CG GLU A 48 -5.412 11.713 -3.969 1.00 0.00 C ATOM 761 CD GLU A 48 -4.771 12.032 -5.321 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.847 11.153 -6.206 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.220 13.147 -5.439 1.00 0.00 O ATOM 0 H GLU A 48 -4.511 10.917 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.486 10.091 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.817 11.229 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.034 10.055 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.414 11.314 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.520 12.629 -3.388 1.00 0.00 H new ATOM 770 N LEU A 49 -4.113 7.867 -1.987 1.00 0.00 N ATOM 771 CA LEU A 49 -3.772 6.463 -2.145 1.00 0.00 C ATOM 772 C LEU A 49 -4.808 5.606 -1.415 1.00 0.00 C ATOM 773 O LEU A 49 -5.458 4.757 -2.024 1.00 0.00 O ATOM 774 CB LEU A 49 -2.333 6.207 -1.693 1.00 0.00 C ATOM 775 CG LEU A 49 -1.424 5.514 -2.710 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.613 6.538 -3.506 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.528 4.478 -2.028 1.00 0.00 C ATOM 0 H LEU A 49 -3.438 8.412 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.806 6.178 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.882 7.162 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.360 5.601 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.052 4.978 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.025 6.020 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.291 7.204 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.006 7.121 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.108 4.000 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.095 4.971 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.148 3.724 -1.543 1.00 0.00 H new ATOM 789 N PHE A 50 -4.930 5.857 -0.119 1.00 0.00 N ATOM 790 CA PHE A 50 -5.876 5.119 0.700 1.00 0.00 C ATOM 791 C PHE A 50 -7.256 5.078 0.042 1.00 0.00 C ATOM 792 O PHE A 50 -7.866 4.014 -0.063 1.00 0.00 O ATOM 793 CB PHE A 50 -5.983 5.859 2.036 1.00 0.00 C ATOM 794 CG PHE A 50 -6.512 4.997 3.183 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.027 3.740 3.371 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.469 5.487 4.016 1.00 0.00 C ATOM 797 CE1 PHE A 50 -6.519 2.940 4.436 1.00 0.00 C ATOM 798 CE2 PHE A 50 -7.961 4.687 5.082 1.00 0.00 C ATOM 799 CZ PHE A 50 -7.475 3.431 5.269 1.00 0.00 C ATOM 0 H PHE A 50 -4.389 6.561 0.383 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.534 4.092 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.999 6.243 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.638 6.721 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.267 3.350 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.855 6.485 3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.134 1.942 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.721 5.076 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.849 2.823 6.080 1.00 0.00 H new ATOM 809 N GLU A 51 -7.709 6.248 -0.384 1.00 0.00 N ATOM 810 CA GLU A 51 -9.006 6.358 -1.029 1.00 0.00 C ATOM 811 C GLU A 51 -8.977 5.679 -2.400 1.00 0.00 C ATOM 812 O GLU A 51 -9.842 4.862 -2.710 1.00 0.00 O ATOM 813 CB GLU A 51 -9.435 7.822 -1.151 1.00 0.00 C ATOM 814 CG GLU A 51 -10.894 8.003 -0.730 1.00 0.00 C ATOM 815 CD GLU A 51 -11.355 9.445 -0.956 1.00 0.00 C ATOM 816 OE1 GLU A 51 -11.202 9.916 -2.103 1.00 0.00 O ATOM 817 OE2 GLU A 51 -11.851 10.042 0.024 1.00 0.00 O ATOM 0 H GLU A 51 -7.201 7.128 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.743 5.848 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.793 8.446 -0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.305 8.158 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.527 7.322 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.008 7.742 0.322 1.00 0.00 H new ATOM 824 N GLU A 52 -7.973 6.043 -3.183 1.00 0.00 N ATOM 825 CA GLU A 52 -7.819 5.478 -4.514 1.00 0.00 C ATOM 826 C GLU A 52 -7.777 3.951 -4.441 1.00 0.00 C ATOM 827 O GLU A 52 -8.569 3.272 -5.092 1.00 0.00 O ATOM 828 CB GLU A 52 -6.569 6.029 -5.202 1.00 0.00 C ATOM 829 CG GLU A 52 -6.463 5.515 -6.639 1.00 0.00 C ATOM 830 CD GLU A 52 -5.791 6.550 -7.544 1.00 0.00 C ATOM 831 OE1 GLU A 52 -6.315 7.684 -7.595 1.00 0.00 O ATOM 832 OE2 GLU A 52 -4.769 6.184 -8.163 1.00 0.00 O ATOM 0 H GLU A 52 -7.258 6.722 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.682 5.770 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.600 7.119 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.682 5.736 -4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.892 4.587 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.458 5.284 -7.021 1.00 0.00 H new ATOM 839 N LEU A 53 -6.844 3.454 -3.642 1.00 0.00 N ATOM 840 CA LEU A 53 -6.687 2.019 -3.475 1.00 0.00 C ATOM 841 C LEU A 53 -7.996 1.425 -2.951 1.00 0.00 C ATOM 842 O LEU A 53 -8.558 0.517 -3.561 1.00 0.00 O ATOM 843 CB LEU A 53 -5.476 1.711 -2.594 1.00 0.00 C ATOM 844 CG LEU A 53 -4.161 2.378 -3.003 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.258 2.601 -1.789 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.458 1.577 -4.101 1.00 0.00 C ATOM 0 H LEU A 53 -6.189 4.020 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.482 1.544 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.710 2.010 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.325 0.632 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.391 3.360 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.330 3.076 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.767 3.244 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.033 1.642 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.526 2.073 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.242 0.573 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.105 1.514 -4.976 1.00 0.00 H new ATOM 858 N ASP A 54 -8.444 1.963 -1.825 1.00 0.00 N ATOM 859 CA ASP A 54 -9.676 1.498 -1.212 1.00 0.00 C ATOM 860 C ASP A 54 -10.850 1.792 -2.148 1.00 0.00 C ATOM 861 O ASP A 54 -11.417 2.882 -2.115 1.00 0.00 O ATOM 862 CB ASP A 54 -9.937 2.216 0.113 1.00 0.00 C ATOM 863 CG ASP A 54 -11.244 1.832 0.811 1.00 0.00 C ATOM 864 OD1 ASP A 54 -11.380 0.635 1.141 1.00 0.00 O ATOM 865 OD2 ASP A 54 -12.077 2.746 0.998 1.00 0.00 O ATOM 0 H ASP A 54 -7.975 2.716 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.578 0.428 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.107 2.011 0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.942 3.291 -0.068 1.00 0.00 H new ATOM 870 N LYS A 55 -11.178 0.800 -2.963 1.00 0.00 N ATOM 871 CA LYS A 55 -12.274 0.938 -3.907 1.00 0.00 C ATOM 872 C LYS A 55 -13.411 -0.003 -3.504 1.00 0.00 C ATOM 873 O LYS A 55 -13.845 -0.834 -4.301 1.00 0.00 O ATOM 874 CB LYS A 55 -11.778 0.726 -5.338 1.00 0.00 C ATOM 875 CG LYS A 55 -12.706 1.406 -6.347 1.00 0.00 C ATOM 876 CD LYS A 55 -12.505 0.832 -7.751 1.00 0.00 C ATOM 877 CE LYS A 55 -13.256 1.661 -8.795 1.00 0.00 C ATOM 878 NZ LYS A 55 -14.422 0.910 -9.313 1.00 0.00 N ATOM 0 H LYS A 55 -10.704 -0.103 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.675 1.951 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.769 1.126 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.721 -0.341 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.743 1.271 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.513 2.479 -6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.442 0.814 -7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.856 -0.200 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.588 2.600 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.586 1.916 -9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.920 1.487 -10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.097 0.026 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.069 0.689 -8.529 1.00 0.00 H new ATOM 892 N ASN A 56 -13.861 0.158 -2.268 1.00 0.00 N ATOM 893 CA ASN A 56 -14.938 -0.667 -1.751 1.00 0.00 C ATOM 894 C ASN A 56 -15.669 0.092 -0.641 1.00 0.00 C ATOM 895 O ASN A 56 -15.322 1.231 -0.332 1.00 0.00 O ATOM 896 CB ASN A 56 -14.398 -1.969 -1.156 1.00 0.00 C ATOM 897 CG ASN A 56 -13.210 -1.698 -0.231 1.00 0.00 C ATOM 898 OD1 ASN A 56 -13.225 -0.799 0.594 1.00 0.00 O ATOM 899 ND2 ASN A 56 -12.183 -2.523 -0.414 1.00 0.00 N ATOM 0 H ASN A 56 -13.499 0.848 -1.610 1.00 0.00 H new ATOM 0 HA ASN A 56 -15.610 -0.899 -2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -15.188 -2.474 -0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.093 -2.641 -1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.342 -2.424 0.154 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.237 -3.255 -1.123 1.00 0.00 H new ATOM 906 N GLY A 57 -16.666 -0.570 -0.072 1.00 0.00 N ATOM 907 CA GLY A 57 -17.448 0.029 0.996 1.00 0.00 C ATOM 908 C GLY A 57 -17.097 -0.596 2.348 1.00 0.00 C ATOM 909 O GLY A 57 -17.858 -1.404 2.879 1.00 0.00 O ATOM 0 H GLY A 57 -16.950 -1.515 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.264 1.103 1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.511 -0.106 0.794 1.00 0.00 H new ATOM 913 N ASP A 58 -15.945 -0.198 2.867 1.00 0.00 N ATOM 914 CA ASP A 58 -15.484 -0.709 4.147 1.00 0.00 C ATOM 915 C ASP A 58 -14.398 0.216 4.700 1.00 0.00 C ATOM 916 O ASP A 58 -14.472 0.649 5.849 1.00 0.00 O ATOM 917 CB ASP A 58 -14.883 -2.108 3.998 1.00 0.00 C ATOM 918 CG ASP A 58 -13.990 -2.300 2.770 1.00 0.00 C ATOM 919 OD1 ASP A 58 -12.787 -1.984 2.889 1.00 0.00 O ATOM 920 OD2 ASP A 58 -14.531 -2.759 1.741 1.00 0.00 O ATOM 0 H ASP A 58 -15.317 0.473 2.424 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.341 -0.755 4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.301 -2.334 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.695 -2.834 3.955 1.00 0.00 H new ATOM 925 N GLY A 59 -13.415 0.491 3.856 1.00 0.00 N ATOM 926 CA GLY A 59 -12.315 1.357 4.245 1.00 0.00 C ATOM 927 C GLY A 59 -11.083 0.537 4.634 1.00 0.00 C ATOM 928 O GLY A 59 -10.794 0.367 5.818 1.00 0.00 O ATOM 0 H GLY A 59 -13.357 0.129 2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.066 2.026 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.619 1.983 5.084 1.00 0.00 H new ATOM 932 N GLU A 60 -10.390 0.051 3.616 1.00 0.00 N ATOM 933 CA GLU A 60 -9.195 -0.747 3.836 1.00 0.00 C ATOM 934 C GLU A 60 -8.562 -1.135 2.498 1.00 0.00 C ATOM 935 O GLU A 60 -9.267 -1.382 1.522 1.00 0.00 O ATOM 936 CB GLU A 60 -9.512 -1.988 4.673 1.00 0.00 C ATOM 937 CG GLU A 60 -8.229 -2.657 5.169 1.00 0.00 C ATOM 938 CD GLU A 60 -7.731 -1.998 6.458 1.00 0.00 C ATOM 939 OE1 GLU A 60 -7.428 -0.787 6.396 1.00 0.00 O ATOM 940 OE2 GLU A 60 -7.664 -2.721 7.475 1.00 0.00 O ATOM 0 H GLU A 60 -10.633 0.194 2.636 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.477 -0.146 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.133 -1.708 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.088 -2.696 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.412 -3.717 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.459 -2.590 4.401 1.00 0.00 H new ATOM 947 N VAL A 61 -7.237 -1.176 2.497 1.00 0.00 N ATOM 948 CA VAL A 61 -6.501 -1.529 1.296 1.00 0.00 C ATOM 949 C VAL A 61 -6.147 -3.017 1.338 1.00 0.00 C ATOM 950 O VAL A 61 -6.275 -3.659 2.379 1.00 0.00 O ATOM 951 CB VAL A 61 -5.273 -0.627 1.150 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.400 -1.075 -0.023 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.685 0.839 0.999 1.00 0.00 C ATOM 0 H VAL A 61 -6.655 -0.970 3.309 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.115 -1.366 0.411 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.681 -0.717 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.535 -0.417 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.064 -2.098 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.979 -1.029 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.794 1.459 0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.309 0.952 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.246 1.152 1.880 1.00 0.00 H new ATOM 963 N SER A 62 -5.710 -3.522 0.194 1.00 0.00 N ATOM 964 CA SER A 62 -5.338 -4.922 0.087 1.00 0.00 C ATOM 965 C SER A 62 -4.269 -5.099 -0.993 1.00 0.00 C ATOM 966 O SER A 62 -4.089 -4.227 -1.842 1.00 0.00 O ATOM 967 CB SER A 62 -6.556 -5.794 -0.223 1.00 0.00 C ATOM 968 OG SER A 62 -7.543 -5.086 -0.968 1.00 0.00 O ATOM 0 H SER A 62 -5.605 -2.986 -0.668 1.00 0.00 H new ATOM 0 HA SER A 62 -4.932 -5.242 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.239 -6.673 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.993 -6.152 0.709 1.00 0.00 H new ATOM 0 HG SER A 62 -8.304 -5.677 -1.147 1.00 0.00 H new ATOM 974 N PHE A 63 -3.587 -6.233 -0.927 1.00 0.00 N ATOM 975 CA PHE A 63 -2.541 -6.535 -1.889 1.00 0.00 C ATOM 976 C PHE A 63 -3.036 -6.322 -3.321 1.00 0.00 C ATOM 977 O PHE A 63 -2.342 -5.720 -4.138 1.00 0.00 O ATOM 978 CB PHE A 63 -2.174 -8.008 -1.703 1.00 0.00 C ATOM 979 CG PHE A 63 -0.983 -8.464 -2.548 1.00 0.00 C ATOM 980 CD1 PHE A 63 0.286 -8.228 -2.119 1.00 0.00 C ATOM 981 CD2 PHE A 63 -1.193 -9.106 -3.728 1.00 0.00 C ATOM 982 CE1 PHE A 63 1.391 -8.651 -2.903 1.00 0.00 C ATOM 983 CE2 PHE A 63 -0.088 -9.530 -4.513 1.00 0.00 C ATOM 984 CZ PHE A 63 1.181 -9.293 -4.084 1.00 0.00 C ATOM 0 H PHE A 63 -3.739 -6.954 -0.222 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.686 -5.879 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.949 -8.186 -0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.040 -8.622 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.453 -7.719 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.201 -9.294 -4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.398 -8.463 -2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.255 -10.040 -5.450 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.022 -9.614 -4.681 1.00 0.00 H new ATOM 994 N GLU A 64 -4.232 -6.829 -3.582 1.00 0.00 N ATOM 995 CA GLU A 64 -4.828 -6.702 -4.901 1.00 0.00 C ATOM 996 C GLU A 64 -4.961 -5.226 -5.283 1.00 0.00 C ATOM 997 O GLU A 64 -4.317 -4.765 -6.225 1.00 0.00 O ATOM 998 CB GLU A 64 -6.184 -7.408 -4.961 1.00 0.00 C ATOM 999 CG GLU A 64 -6.021 -8.873 -5.369 1.00 0.00 C ATOM 1000 CD GLU A 64 -6.606 -9.123 -6.761 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -7.825 -9.389 -6.825 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -5.820 -9.042 -7.729 1.00 0.00 O ATOM 0 H GLU A 64 -4.805 -7.329 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.171 -7.187 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.672 -7.350 -3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.832 -6.898 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.964 -9.141 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.518 -9.514 -4.641 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.800 -4.527 -4.534 1.00 0.00 N ATOM 1010 CA GLU A 65 -6.026 -3.113 -4.783 1.00 0.00 C ATOM 1011 C GLU A 65 -4.709 -2.340 -4.685 1.00 0.00 C ATOM 1012 O GLU A 65 -4.574 -1.261 -5.259 1.00 0.00 O ATOM 1013 CB GLU A 65 -7.068 -2.546 -3.817 1.00 0.00 C ATOM 1014 CG GLU A 65 -8.487 -2.826 -4.315 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.523 -2.100 -3.455 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -9.450 -2.265 -2.218 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -10.366 -1.398 -4.054 1.00 0.00 O ATOM 0 H GLU A 65 -6.332 -4.913 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.417 -3.000 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.932 -2.987 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.922 -1.471 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.582 -2.506 -5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.679 -3.899 -4.294 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.771 -2.923 -3.952 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.470 -2.302 -3.772 1.00 0.00 C ATOM 1026 C PHE A 66 -1.581 -2.525 -4.997 1.00 0.00 C ATOM 1027 O PHE A 66 -0.893 -1.608 -5.444 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.820 -2.970 -2.558 1.00 0.00 C ATOM 1029 CG PHE A 66 -0.395 -2.492 -2.272 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.159 -1.179 -2.008 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.635 -3.379 -2.283 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.164 -0.735 -1.743 1.00 0.00 C ATOM 1033 CE2 PHE A 66 1.958 -2.935 -2.019 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.194 -1.622 -1.754 1.00 0.00 C ATOM 0 H PHE A 66 -3.886 -3.818 -3.476 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.587 -1.227 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.438 -2.783 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.806 -4.049 -2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.977 -0.474 -2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.447 -4.422 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.352 0.308 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.776 -3.640 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.200 -1.284 -1.552 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.624 -3.748 -5.505 1.00 0.00 N ATOM 1045 CA GLN A 67 -0.831 -4.102 -6.670 1.00 0.00 C ATOM 1046 C GLN A 67 -0.978 -3.035 -7.757 1.00 0.00 C ATOM 1047 O GLN A 67 -0.090 -2.868 -8.591 1.00 0.00 O ATOM 1048 CB GLN A 67 -1.224 -5.482 -7.201 1.00 0.00 C ATOM 1049 CG GLN A 67 -0.936 -6.571 -6.166 1.00 0.00 C ATOM 1050 CD GLN A 67 -0.010 -7.644 -6.742 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -0.440 -8.684 -7.213 1.00 0.00 O ATOM 1052 NE2 GLN A 67 1.282 -7.336 -6.677 1.00 0.00 N ATOM 0 H GLN A 67 -2.195 -4.506 -5.131 1.00 0.00 H new ATOM 0 HA GLN A 67 0.216 -4.147 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.284 -5.489 -7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.674 -5.693 -8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.478 -6.126 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.872 -7.028 -5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.575 -6.448 -6.270 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.980 -7.988 -7.034 1.00 0.00 H new ATOM 1061 N VAL A 68 -2.105 -2.340 -7.711 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.379 -1.293 -8.681 1.00 0.00 C ATOM 1063 C VAL A 68 -1.294 -0.218 -8.585 1.00 0.00 C ATOM 1064 O VAL A 68 -0.924 0.386 -9.590 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.789 -0.740 -8.469 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -4.027 0.500 -9.334 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.846 -1.812 -8.745 1.00 0.00 C ATOM 0 H VAL A 68 -2.839 -2.481 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.350 -1.694 -9.694 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.879 -0.442 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.037 0.874 -9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.305 1.273 -9.069 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.909 0.238 -10.385 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.840 -1.393 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.756 -2.154 -9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.696 -2.654 -8.069 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.815 -0.013 -7.367 1.00 0.00 N ATOM 1078 CA LEU A 69 0.219 0.978 -7.126 1.00 0.00 C ATOM 1079 C LEU A 69 1.580 0.393 -7.511 1.00 0.00 C ATOM 1080 O LEU A 69 2.400 1.073 -8.125 1.00 0.00 O ATOM 1081 CB LEU A 69 0.153 1.483 -5.683 1.00 0.00 C ATOM 1082 CG LEU A 69 1.059 2.668 -5.345 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.292 3.989 -5.440 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.715 2.484 -3.976 1.00 0.00 C ATOM 0 H LEU A 69 -1.124 -0.517 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 69 0.059 1.855 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.877 1.765 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.405 0.657 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 69 1.860 2.707 -6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.959 4.815 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.087 4.117 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.543 3.976 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.354 3.341 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.943 2.405 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.316 1.575 -3.980 1.00 0.00 H new ATOM 1096 N VAL A 70 1.776 -0.862 -7.134 1.00 0.00 N ATOM 1097 CA VAL A 70 3.023 -1.546 -7.433 1.00 0.00 C ATOM 1098 C VAL A 70 3.280 -1.494 -8.940 1.00 0.00 C ATOM 1099 O VAL A 70 4.371 -1.126 -9.375 1.00 0.00 O ATOM 1100 CB VAL A 70 2.981 -2.973 -6.882 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.896 -3.898 -7.687 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.346 -2.999 -5.396 1.00 0.00 C ATOM 0 H VAL A 70 1.093 -1.423 -6.625 1.00 0.00 H new ATOM 0 HA VAL A 70 3.860 -1.047 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 70 1.960 -3.341 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.848 -4.906 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.571 -3.915 -8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.921 -3.533 -7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.308 -4.025 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.352 -2.602 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.638 -2.388 -4.837 1.00 0.00 H new ATOM 1112 N LYS A 71 2.258 -1.868 -9.696 1.00 0.00 N ATOM 1113 CA LYS A 71 2.360 -1.869 -11.145 1.00 0.00 C ATOM 1114 C LYS A 71 2.810 -0.486 -11.621 1.00 0.00 C ATOM 1115 O LYS A 71 3.660 -0.375 -12.504 1.00 0.00 O ATOM 1116 CB LYS A 71 1.047 -2.339 -11.775 1.00 0.00 C ATOM 1117 CG LYS A 71 1.310 -3.198 -13.013 1.00 0.00 C ATOM 1118 CD LYS A 71 0.322 -2.863 -14.132 1.00 0.00 C ATOM 1119 CE LYS A 71 0.860 -1.738 -15.019 1.00 0.00 C ATOM 1120 NZ LYS A 71 0.824 -0.447 -14.297 1.00 0.00 N ATOM 0 H LYS A 71 1.355 -2.172 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 71 3.117 -2.582 -11.473 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.474 -2.912 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.441 -1.475 -12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.330 -3.036 -13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.226 -4.253 -12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.137 -3.751 -14.737 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.634 -2.566 -13.701 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.882 -1.963 -15.322 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.265 -1.669 -15.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.622 0.321 -14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.080 -0.476 -13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.744 -0.277 -13.844 1.00 0.00 H new ATOM 1134 N LYS A 72 2.220 0.534 -11.015 1.00 0.00 N ATOM 1135 CA LYS A 72 2.550 1.905 -11.366 1.00 0.00 C ATOM 1136 C LYS A 72 3.964 2.226 -10.879 1.00 0.00 C ATOM 1137 O LYS A 72 4.639 3.086 -11.443 1.00 0.00 O ATOM 1138 CB LYS A 72 1.484 2.865 -10.834 1.00 0.00 C ATOM 1139 CG LYS A 72 0.141 2.634 -11.530 1.00 0.00 C ATOM 1140 CD LYS A 72 0.141 3.241 -12.935 1.00 0.00 C ATOM 1141 CE LYS A 72 -1.270 3.661 -13.351 1.00 0.00 C ATOM 1142 NZ LYS A 72 -1.225 4.904 -14.153 1.00 0.00 N ATOM 0 H LYS A 72 1.516 0.439 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 72 2.549 2.032 -12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.369 2.727 -9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.806 3.895 -10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.062 1.565 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.660 3.077 -10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.804 4.106 -12.961 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.534 2.516 -13.648 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.737 2.864 -13.930 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.886 3.815 -12.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.191 5.175 -14.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.798 5.666 -13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.654 4.745 -15.008 1.00 0.00 H new ATOM 1156 N ILE A 73 4.372 1.517 -9.837 1.00 0.00 N ATOM 1157 CA ILE A 73 5.694 1.715 -9.267 1.00 0.00 C ATOM 1158 C ILE A 73 6.740 1.083 -10.187 1.00 0.00 C ATOM 1159 O ILE A 73 7.737 1.718 -10.529 1.00 0.00 O ATOM 1160 CB ILE A 73 5.742 1.193 -7.830 1.00 0.00 C ATOM 1161 CG1 ILE A 73 5.045 2.160 -6.871 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.181 0.899 -7.401 1.00 0.00 C ATOM 1163 CD1 ILE A 73 4.355 1.403 -5.735 1.00 0.00 C ATOM 0 H ILE A 73 3.810 0.804 -9.372 1.00 0.00 H new ATOM 0 HA ILE A 73 5.926 2.778 -9.202 1.00 0.00 H new ATOM 0 HB ILE A 73 5.195 0.251 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.774 2.857 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.311 2.753 -7.416 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.187 0.529 -6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.611 0.145 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.772 1.813 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.867 2.114 -5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.610 0.725 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.096 0.831 -5.177 1.00 0.00 H new ATOM 1175 N SER A 74 6.479 -0.161 -10.561 1.00 0.00 N ATOM 1176 CA SER A 74 7.386 -0.886 -11.434 1.00 0.00 C ATOM 1177 C SER A 74 7.300 -0.329 -12.857 1.00 0.00 C ATOM 1178 O SER A 74 8.313 0.054 -13.439 1.00 0.00 O ATOM 1179 CB SER A 74 7.074 -2.384 -11.431 1.00 0.00 C ATOM 1180 OG SER A 74 7.658 -3.054 -12.545 1.00 0.00 O ATOM 0 H SER A 74 5.652 -0.685 -10.275 1.00 0.00 H new ATOM 0 HA SER A 74 8.401 -0.753 -11.059 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.442 -2.829 -10.507 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.994 -2.529 -11.446 1.00 0.00 H new ATOM 0 HG SER A 74 7.437 -4.008 -12.506 1.00 0.00 H new ATOM 1186 N GLN A 75 6.081 -0.302 -13.375 1.00 0.00 N ATOM 1187 CA GLN A 75 5.850 0.202 -14.718 1.00 0.00 C ATOM 1188 C GLN A 75 6.019 1.722 -14.751 1.00 0.00 C ATOM 1189 O GLN A 75 7.084 2.239 -14.416 1.00 0.00 O ATOM 1190 CB GLN A 75 4.466 -0.206 -15.226 1.00 0.00 C ATOM 1191 CG GLN A 75 4.538 -0.711 -16.669 1.00 0.00 C ATOM 1192 CD GLN A 75 4.114 -2.178 -16.758 1.00 0.00 C ATOM 1193 OE1 GLN A 75 3.202 -2.545 -17.480 1.00 0.00 O ATOM 1194 NE2 GLN A 75 4.826 -2.995 -15.986 1.00 0.00 N ATOM 0 H GLN A 75 5.243 -0.621 -12.889 1.00 0.00 H new ATOM 0 HA GLN A 75 6.591 -0.241 -15.383 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.054 -0.985 -14.584 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.788 0.646 -15.168 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.893 -0.103 -17.303 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.554 -0.599 -17.047 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.577 -2.622 -15.405 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.621 -3.994 -15.975 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 CE CE A 76 -11.943 -2.360 -0.580 1.00 0.00 CE