USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 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 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -90:sc= 0.978 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-1.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.4) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc=-0.00262 K(o=-0.0026,f=-1.7) USER MOD Single : B 12 THR OG1 : rot 39:sc= 1.27 USER MOD Single : B 13 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.39) USER MOD Single : B 14 GLN : amide:sc=-0.00554 X(o=-0.0055,f=-0.41) USER MOD Single : B 15 GLN : amide:sc= -0.286 K(o=-0.29,f=-3.9!) USER MOD Single : B 21 LYS NZ :NH3+ -169:sc= 0.0239 (180deg=0.0102) USER MOD Single : B 23 GLN : amide:sc= -1.84 K(o=-1.8,f=-5.6!) USER MOD Single : B 24 ASN : amide:sc= -5.24! C(o=-5.2!,f=-15!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 30 GLN : amide:sc= -0.518 K(o=-0.52,f=-4!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 -2.306 22.338 4.337 1.00 0.00 C HETATM 2 O ACE A 2 -2.468 22.896 5.422 1.00 0.00 O HETATM 3 CH3 ACE A 2 -3.032 21.039 4.003 1.00 0.00 C HETATM 0 H1 ACE A 2 -3.656 21.187 3.122 1.00 0.00 H new HETATM 0 H2 ACE A 2 -2.302 20.255 3.803 1.00 0.00 H new HETATM 0 H3 ACE A 2 -3.658 20.745 4.845 1.00 0.00 H new ATOM 7 N CYS A 3 -1.504 22.815 3.387 1.00 0.00 N ATOM 8 CA CYS A 3 -0.752 24.054 3.584 1.00 0.00 C ATOM 9 C CYS A 3 0.197 23.922 4.772 1.00 0.00 C ATOM 10 O CYS A 3 -0.134 24.303 5.894 1.00 0.00 O ATOM 11 CB CYS A 3 -1.703 25.227 3.834 1.00 0.00 C ATOM 12 SG CYS A 3 -2.832 25.399 2.431 1.00 0.00 S ATOM 0 H CYS A 3 -1.358 22.368 2.482 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.175 24.242 2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.268 25.061 4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.135 26.147 3.972 1.00 0.00 H new ATOM 17 N GLY A 4 1.380 23.375 4.510 1.00 0.00 N ATOM 18 CA GLY A 4 2.374 23.195 5.565 1.00 0.00 C ATOM 19 C GLY A 4 3.313 22.041 5.231 1.00 0.00 C ATOM 20 O GLY A 4 4.062 22.093 4.254 1.00 0.00 O ATOM 0 H GLY A 4 1.673 23.052 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.948 24.113 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.873 23.000 6.513 1.00 0.00 H new ATOM 24 N GLY A 5 3.266 20.998 6.055 1.00 0.00 N ATOM 25 CA GLY A 5 4.118 19.832 5.841 1.00 0.00 C ATOM 26 C GLY A 5 3.403 18.788 4.989 1.00 0.00 C ATOM 27 O GLY A 5 3.285 17.626 5.375 1.00 0.00 O ATOM 0 H GLY A 5 2.654 20.936 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.043 20.137 5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.395 19.397 6.801 1.00 0.00 H new ATOM 31 N VAL A 6 2.927 19.219 3.825 1.00 0.00 N ATOM 32 CA VAL A 6 2.223 18.315 2.919 1.00 0.00 C ATOM 33 C VAL A 6 3.217 17.419 2.187 1.00 0.00 C ATOM 34 O VAL A 6 2.973 16.230 1.984 1.00 0.00 O ATOM 35 CB VAL A 6 1.412 19.107 1.890 1.00 0.00 C ATOM 36 CG1 VAL A 6 0.534 18.149 1.082 1.00 0.00 C ATOM 37 CG2 VAL A 6 0.522 20.122 2.611 1.00 0.00 C ATOM 0 H VAL A 6 3.014 20.178 3.488 1.00 0.00 H new ATOM 0 HA VAL A 6 1.547 17.701 3.514 1.00 0.00 H new ATOM 0 HB VAL A 6 2.094 19.630 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.043 18.714 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.165 17.425 0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.146 17.625 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.055 20.685 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.158 19.598 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.144 20.807 3.187 1.00 0.00 H new ATOM 47 N GLN A 7 4.345 18.004 1.795 1.00 0.00 N ATOM 48 CA GLN A 7 5.375 17.252 1.084 1.00 0.00 C ATOM 49 C GLN A 7 5.977 16.184 1.994 1.00 0.00 C ATOM 50 O GLN A 7 6.271 15.070 1.559 1.00 0.00 O ATOM 51 CB GLN A 7 6.491 18.185 0.608 1.00 0.00 C ATOM 52 CG GLN A 7 7.107 17.632 -0.679 1.00 0.00 C ATOM 53 CD GLN A 7 8.088 18.648 -1.251 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.270 18.642 -0.905 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.665 19.531 -2.114 1.00 0.00 N ATOM 0 H GLN A 7 4.568 18.986 1.955 1.00 0.00 H new ATOM 0 HA GLN A 7 4.908 16.777 0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.093 19.185 0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.256 18.277 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.619 16.692 -0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.324 17.417 -1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.686 19.536 -2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.313 20.216 -2.502 1.00 0.00 H new ATOM 64 N ALA A 8 6.155 16.538 3.263 1.00 0.00 N ATOM 65 CA ALA A 8 6.721 15.604 4.233 1.00 0.00 C ATOM 66 C ALA A 8 5.790 14.412 4.428 1.00 0.00 C ATOM 67 O ALA A 8 6.226 13.261 4.448 1.00 0.00 O ATOM 68 CB ALA A 8 6.938 16.295 5.579 1.00 0.00 C ATOM 0 H ALA A 8 5.919 17.455 3.642 1.00 0.00 H new ATOM 0 HA ALA A 8 7.680 15.257 3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.360 15.584 6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.625 17.132 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.984 16.663 5.957 1.00 0.00 H new ATOM 74 N GLU A 9 4.499 14.703 4.572 1.00 0.00 N ATOM 75 CA GLU A 9 3.509 13.648 4.768 1.00 0.00 C ATOM 76 C GLU A 9 3.346 12.830 3.491 1.00 0.00 C ATOM 77 O GLU A 9 3.208 11.607 3.532 1.00 0.00 O ATOM 78 CB GLU A 9 2.155 14.248 5.151 1.00 0.00 C ATOM 79 CG GLU A 9 2.197 14.713 6.608 1.00 0.00 C ATOM 80 CD GLU A 9 0.790 14.673 7.196 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.257 13.584 7.328 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.269 15.731 7.505 1.00 0.00 O ATOM 0 H GLU A 9 4.118 15.649 4.557 1.00 0.00 H new ATOM 0 HA GLU A 9 3.859 13.002 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.919 15.087 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.366 13.508 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.863 14.072 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.598 15.725 6.666 1.00 0.00 H new ATOM 89 N GLU A 10 3.363 13.520 2.353 1.00 0.00 N ATOM 90 CA GLU A 10 3.216 12.851 1.064 1.00 0.00 C ATOM 91 C GLU A 10 4.401 11.925 0.809 1.00 0.00 C ATOM 92 O GLU A 10 4.238 10.802 0.329 1.00 0.00 O ATOM 93 CB GLU A 10 3.133 13.878 -0.067 1.00 0.00 C ATOM 94 CG GLU A 10 2.761 13.172 -1.371 1.00 0.00 C ATOM 95 CD GLU A 10 3.015 14.108 -2.548 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.429 15.179 -2.564 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.792 13.743 -3.413 1.00 0.00 O ATOM 0 H GLU A 10 3.476 14.532 2.297 1.00 0.00 H new ATOM 0 HA GLU A 10 2.296 12.267 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.390 14.639 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.089 14.390 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.349 12.261 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.713 12.874 -1.349 1.00 0.00 H new ATOM 104 N GLN A 11 5.596 12.408 1.136 1.00 0.00 N ATOM 105 CA GLN A 11 6.807 11.617 0.940 1.00 0.00 C ATOM 106 C GLN A 11 6.756 10.347 1.784 1.00 0.00 C ATOM 107 O GLN A 11 7.277 9.302 1.392 1.00 0.00 O ATOM 108 CB GLN A 11 8.045 12.426 1.331 1.00 0.00 C ATOM 109 CG GLN A 11 9.263 11.897 0.569 1.00 0.00 C ATOM 110 CD GLN A 11 9.437 12.686 -0.724 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.773 13.871 -0.695 1.00 0.00 O ATOM 112 NE2 GLN A 11 9.226 12.096 -1.868 1.00 0.00 N ATOM 0 H GLN A 11 5.752 13.334 1.534 1.00 0.00 H new ATOM 0 HA GLN A 11 6.867 11.350 -0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.890 13.481 1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.215 12.354 2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.158 11.987 1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.134 10.838 0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.948 11.115 -1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.339 12.616 -2.738 1.00 0.00 H new ATOM 121 N LYS A 12 6.123 10.451 2.948 1.00 0.00 N ATOM 122 CA LYS A 12 6.006 9.304 3.846 1.00 0.00 C ATOM 123 C LYS A 12 4.979 8.312 3.310 1.00 0.00 C ATOM 124 O LYS A 12 5.167 7.098 3.390 1.00 0.00 O ATOM 125 CB LYS A 12 5.578 9.759 5.243 1.00 0.00 C ATOM 126 CG LYS A 12 6.180 8.822 6.292 1.00 0.00 C ATOM 127 CD LYS A 12 5.586 9.147 7.664 1.00 0.00 C ATOM 128 CE LYS A 12 6.339 8.364 8.744 1.00 0.00 C ATOM 129 NZ LYS A 12 5.882 8.810 10.090 1.00 0.00 N ATOM 0 H LYS A 12 5.687 11.307 3.290 1.00 0.00 H new ATOM 0 HA LYS A 12 6.982 8.821 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.909 10.782 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.491 9.758 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.973 7.784 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.264 8.934 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.657 10.217 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.527 8.889 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.162 7.295 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.413 8.523 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.393 8.279 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.073 9.826 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.861 8.637 10.185 1.00 0.00 H new ATOM 143 N LEU A 13 3.892 8.844 2.762 1.00 0.00 N ATOM 144 CA LEU A 13 2.834 7.998 2.214 1.00 0.00 C ATOM 145 C LEU A 13 3.353 7.210 1.015 1.00 0.00 C ATOM 146 O LEU A 13 3.088 6.015 0.875 1.00 0.00 O ATOM 147 CB LEU A 13 1.642 8.848 1.774 1.00 0.00 C ATOM 148 CG LEU A 13 0.901 9.365 3.008 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.222 10.696 2.676 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.160 8.346 3.428 1.00 0.00 C ATOM 0 H LEU A 13 3.719 9.846 2.685 1.00 0.00 H new ATOM 0 HA LEU A 13 2.516 7.307 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.984 9.685 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.969 8.256 1.154 1.00 0.00 H new ATOM 0 HG LEU A 13 1.610 9.511 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.306 11.064 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.975 11.423 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.488 10.549 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.689 8.713 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.869 8.201 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.321 7.397 3.664 1.00 0.00 H new ATOM 162 N ILE A 14 4.095 7.894 0.150 1.00 0.00 N ATOM 163 CA ILE A 14 4.651 7.253 -1.039 1.00 0.00 C ATOM 164 C ILE A 14 5.613 6.137 -0.640 1.00 0.00 C ATOM 165 O ILE A 14 5.506 5.006 -1.113 1.00 0.00 O ATOM 166 CB ILE A 14 5.396 8.279 -1.901 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.442 9.418 -2.268 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.907 7.615 -3.183 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.238 10.708 -2.474 1.00 0.00 C ATOM 0 H ILE A 14 4.324 8.883 0.247 1.00 0.00 H new ATOM 0 HA ILE A 14 3.827 6.831 -1.614 1.00 0.00 H new ATOM 0 HB ILE A 14 6.244 8.671 -1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.894 9.168 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.704 9.556 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.435 8.352 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.587 6.802 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.064 7.218 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.557 11.518 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.766 10.960 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.959 10.566 -3.279 1.00 0.00 H new ATOM 181 N SER A 15 6.561 6.472 0.231 1.00 0.00 N ATOM 182 CA SER A 15 7.548 5.493 0.685 1.00 0.00 C ATOM 183 C SER A 15 6.860 4.302 1.352 1.00 0.00 C ATOM 184 O SER A 15 7.162 3.147 1.054 1.00 0.00 O ATOM 185 CB SER A 15 8.517 6.131 1.679 1.00 0.00 C ATOM 186 OG SER A 15 7.790 6.960 2.576 1.00 0.00 O ATOM 0 H SER A 15 6.668 7.403 0.634 1.00 0.00 H new ATOM 0 HA SER A 15 8.100 5.147 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.051 5.358 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.266 6.719 1.148 1.00 0.00 H new ATOM 0 HG SER A 15 7.739 7.869 2.213 1.00 0.00 H new ATOM 192 N GLU A 16 5.932 4.601 2.257 1.00 0.00 N ATOM 193 CA GLU A 16 5.206 3.546 2.959 1.00 0.00 C ATOM 194 C GLU A 16 4.366 2.736 1.977 1.00 0.00 C ATOM 195 O GLU A 16 4.311 1.509 2.048 1.00 0.00 O ATOM 196 CB GLU A 16 4.286 4.148 4.025 1.00 0.00 C ATOM 197 CG GLU A 16 4.060 3.127 5.141 1.00 0.00 C ATOM 198 CD GLU A 16 2.781 3.472 5.897 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.689 4.587 6.384 1.00 0.00 O ATOM 200 OE2 GLU A 16 1.915 2.618 5.976 1.00 0.00 O ATOM 0 H GLU A 16 5.667 5.551 2.519 1.00 0.00 H new ATOM 0 HA GLU A 16 5.937 2.894 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.730 5.056 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.333 4.432 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.987 2.124 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.909 3.126 5.824 1.00 0.00 H new ATOM 207 N GLU A 17 3.714 3.441 1.056 1.00 0.00 N ATOM 208 CA GLU A 17 2.879 2.781 0.056 1.00 0.00 C ATOM 209 C GLU A 17 3.722 1.852 -0.811 1.00 0.00 C ATOM 210 O GLU A 17 3.265 0.790 -1.235 1.00 0.00 O ATOM 211 CB GLU A 17 2.197 3.817 -0.841 1.00 0.00 C ATOM 212 CG GLU A 17 1.124 3.132 -1.689 1.00 0.00 C ATOM 213 CD GLU A 17 0.474 4.156 -2.612 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.138 5.080 -2.103 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.597 4.001 -3.816 1.00 0.00 O ATOM 0 H GLU A 17 3.746 4.458 0.981 1.00 0.00 H new ATOM 0 HA GLU A 17 2.120 2.201 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.748 4.601 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.934 4.296 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.568 2.328 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.371 2.678 -1.045 1.00 0.00 H new ATOM 222 N ASP A 18 4.961 2.264 -1.067 1.00 0.00 N ATOM 223 CA ASP A 18 5.868 1.460 -1.882 1.00 0.00 C ATOM 224 C ASP A 18 6.125 0.113 -1.217 1.00 0.00 C ATOM 225 O ASP A 18 6.236 -0.916 -1.885 1.00 0.00 O ATOM 226 CB ASP A 18 7.201 2.185 -2.076 1.00 0.00 C ATOM 227 CG ASP A 18 7.961 1.552 -3.236 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.058 0.335 -3.262 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.436 2.291 -4.081 1.00 0.00 O ATOM 0 H ASP A 18 5.357 3.140 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 18 5.399 1.303 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.026 3.242 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.795 2.127 -1.164 1.00 0.00 H new ATOM 234 N LEU A 19 6.215 0.131 0.110 1.00 0.00 N ATOM 235 CA LEU A 19 6.455 -1.096 0.864 1.00 0.00 C ATOM 236 C LEU A 19 5.300 -2.072 0.662 1.00 0.00 C ATOM 237 O LEU A 19 5.506 -3.249 0.363 1.00 0.00 O ATOM 238 CB LEU A 19 6.594 -0.792 2.357 1.00 0.00 C ATOM 239 CG LEU A 19 7.080 -2.043 3.090 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.606 -2.012 3.199 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.471 -2.079 4.494 1.00 0.00 C ATOM 0 H LEU A 19 6.127 0.972 0.681 1.00 0.00 H new ATOM 0 HA LEU A 19 7.381 -1.541 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.297 0.027 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.636 -0.469 2.764 1.00 0.00 H new ATOM 0 HG LEU A 19 6.773 -2.930 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.952 -2.904 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.042 -1.985 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.913 -1.125 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.817 -2.970 5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.778 -1.191 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.384 -2.101 4.419 1.00 0.00 H new ATOM 253 N LEU A 20 4.081 -1.565 0.820 1.00 0.00 N ATOM 254 CA LEU A 20 2.894 -2.397 0.648 1.00 0.00 C ATOM 255 C LEU A 20 2.810 -2.900 -0.790 1.00 0.00 C ATOM 256 O LEU A 20 2.343 -4.010 -1.048 1.00 0.00 O ATOM 257 CB LEU A 20 1.629 -1.597 0.971 1.00 0.00 C ATOM 258 CG LEU A 20 1.284 -1.766 2.452 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.488 -0.553 2.933 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.444 -3.032 2.638 1.00 0.00 C ATOM 0 H LEU A 20 3.890 -0.593 1.064 1.00 0.00 H new ATOM 0 HA LEU A 20 2.970 -3.244 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.783 -0.543 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.800 -1.941 0.352 1.00 0.00 H new ATOM 0 HG LEU A 20 2.204 -1.850 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.243 -0.674 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.085 0.350 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.432 -0.468 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.198 -3.153 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.475 -2.947 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.010 -3.898 2.296 1.00 0.00 H new ATOM 272 N ARG A 21 3.273 -2.073 -1.721 1.00 0.00 N ATOM 273 CA ARG A 21 3.251 -2.441 -3.134 1.00 0.00 C ATOM 274 C ARG A 21 4.136 -3.659 -3.376 1.00 0.00 C ATOM 275 O ARG A 21 3.796 -4.547 -4.158 1.00 0.00 O ATOM 276 CB ARG A 21 3.754 -1.283 -3.998 1.00 0.00 C ATOM 277 CG ARG A 21 2.630 -0.263 -4.192 1.00 0.00 C ATOM 278 CD ARG A 21 2.905 0.569 -5.446 1.00 0.00 C ATOM 279 NE ARG A 21 3.893 1.614 -5.167 1.00 0.00 N ATOM 280 CZ ARG A 21 4.547 2.256 -6.146 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.328 1.976 -7.408 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.417 3.179 -5.836 1.00 0.00 N ATOM 0 H ARG A 21 3.665 -1.152 -1.527 1.00 0.00 H new ATOM 0 HA ARG A 21 2.222 -2.675 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.612 -0.808 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.091 -1.657 -4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.672 -0.775 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.560 0.387 -3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.268 -0.077 -6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.978 1.022 -5.798 1.00 0.00 H new ATOM 0 HE ARG A 21 4.090 1.861 -4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.649 1.258 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.836 2.476 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.593 3.405 -4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.920 3.674 -6.573 1.00 0.00 H new ATOM 296 N LYS A 22 5.275 -3.692 -2.690 1.00 0.00 N ATOM 297 CA LYS A 22 6.208 -4.807 -2.830 1.00 0.00 C ATOM 298 C LYS A 22 5.551 -6.107 -2.379 1.00 0.00 C ATOM 299 O LYS A 22 5.740 -7.160 -2.989 1.00 0.00 O ATOM 300 CB LYS A 22 7.464 -4.565 -1.992 1.00 0.00 C ATOM 301 CG LYS A 22 8.482 -3.769 -2.814 1.00 0.00 C ATOM 302 CD LYS A 22 9.474 -4.731 -3.473 1.00 0.00 C ATOM 303 CE LYS A 22 8.803 -5.416 -4.666 1.00 0.00 C ATOM 304 NZ LYS A 22 9.822 -6.186 -5.433 1.00 0.00 N ATOM 0 H LYS A 22 5.573 -2.967 -2.037 1.00 0.00 H new ATOM 0 HA LYS A 22 6.486 -4.884 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.208 -4.020 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.896 -5.517 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.970 -3.181 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.013 -3.066 -2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.360 -4.188 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.808 -5.477 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.013 -6.082 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.333 -4.672 -5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.367 -6.652 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.561 -5.539 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.250 -6.905 -4.816 1.00 0.00 H new ATOM 318 N ARG A 23 4.776 -6.020 -1.302 1.00 0.00 N ATOM 319 CA ARG A 23 4.091 -7.196 -0.771 1.00 0.00 C ATOM 320 C ARG A 23 3.019 -7.670 -1.748 1.00 0.00 C ATOM 321 O ARG A 23 2.746 -8.864 -1.863 1.00 0.00 O ATOM 322 CB ARG A 23 3.436 -6.875 0.573 1.00 0.00 C ATOM 323 CG ARG A 23 2.927 -8.167 1.215 1.00 0.00 C ATOM 324 CD ARG A 23 4.043 -8.796 2.052 1.00 0.00 C ATOM 325 NE ARG A 23 3.563 -10.003 2.729 1.00 0.00 N ATOM 326 CZ ARG A 23 4.391 -10.831 3.383 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.680 -10.594 3.446 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.906 -11.892 3.968 1.00 0.00 N ATOM 0 H ARG A 23 4.607 -5.158 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 23 4.831 -7.984 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.154 -6.387 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.610 -6.178 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.061 -7.957 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.599 -8.864 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.889 -9.044 1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.401 -8.077 2.789 1.00 0.00 H new ATOM 0 HE ARG A 23 2.567 -10.221 2.702 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.069 -9.767 2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.293 -11.236 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.905 -12.085 3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.528 -12.528 4.468 1.00 0.00 H new ATOM 342 N ARG A 24 2.413 -6.716 -2.449 1.00 0.00 N ATOM 343 CA ARG A 24 1.367 -7.041 -3.416 1.00 0.00 C ATOM 344 C ARG A 24 1.932 -7.902 -4.542 1.00 0.00 C ATOM 345 O ARG A 24 1.432 -8.992 -4.819 1.00 0.00 O ATOM 346 CB ARG A 24 0.776 -5.763 -4.015 1.00 0.00 C ATOM 347 CG ARG A 24 -0.418 -5.308 -3.174 1.00 0.00 C ATOM 348 CD ARG A 24 -1.440 -4.610 -4.073 1.00 0.00 C ATOM 349 NE ARG A 24 -0.834 -3.463 -4.752 1.00 0.00 N ATOM 350 CZ ARG A 24 -1.442 -2.834 -5.768 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.617 -3.222 -6.203 1.00 0.00 N ATOM 352 NH2 ARG A 24 -0.853 -1.816 -6.335 1.00 0.00 N ATOM 0 H ARG A 24 2.625 -5.721 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 24 0.585 -7.592 -2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.533 -4.979 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.462 -5.942 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.877 -6.165 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.085 -4.629 -2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.824 -5.315 -4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.290 -4.278 -3.477 1.00 0.00 H new ATOM 0 HE ARG A 24 0.080 -3.132 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.086 -4.016 -5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.062 -2.730 -6.977 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.061 -1.506 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.307 -1.330 -7.109 1.00 0.00 H new ATOM 366 N GLU A 25 2.979 -7.398 -5.189 1.00 0.00 N ATOM 367 CA GLU A 25 3.608 -8.126 -6.288 1.00 0.00 C ATOM 368 C GLU A 25 4.161 -9.462 -5.799 1.00 0.00 C ATOM 369 O GLU A 25 4.088 -10.473 -6.497 1.00 0.00 O ATOM 370 CB GLU A 25 4.752 -7.305 -6.888 1.00 0.00 C ATOM 371 CG GLU A 25 4.176 -6.207 -7.785 1.00 0.00 C ATOM 372 CD GLU A 25 5.306 -5.310 -8.280 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.776 -4.497 -7.503 1.00 0.00 O ATOM 374 OE2 GLU A 25 5.685 -5.453 -9.431 1.00 0.00 O ATOM 0 H GLU A 25 3.407 -6.497 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 25 2.849 -8.304 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.352 -6.862 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.414 -7.951 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.653 -6.651 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.445 -5.617 -7.232 1.00 0.00 H new ATOM 381 N GLN A 26 4.716 -9.453 -4.591 1.00 0.00 N ATOM 382 CA GLN A 26 5.282 -10.670 -4.015 1.00 0.00 C ATOM 383 C GLN A 26 4.202 -11.732 -3.838 1.00 0.00 C ATOM 384 O GLN A 26 4.449 -12.926 -4.006 1.00 0.00 O ATOM 385 CB GLN A 26 5.914 -10.373 -2.653 1.00 0.00 C ATOM 386 CG GLN A 26 6.907 -11.482 -2.298 1.00 0.00 C ATOM 387 CD GLN A 26 7.027 -11.590 -0.781 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.845 -10.905 -0.167 1.00 0.00 O ATOM 389 NE2 GLN A 26 6.254 -12.420 -0.136 1.00 0.00 N ATOM 0 H GLN A 26 4.786 -8.627 -3.997 1.00 0.00 H new ATOM 0 HA GLN A 26 6.046 -11.040 -4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.423 -9.409 -2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.140 -10.305 -1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.573 -12.432 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.881 -11.266 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.577 -12.987 -0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.327 -12.502 0.878 1.00 0.00 H new ATOM 398 N LEU A 27 2.997 -11.283 -3.494 1.00 0.00 N ATOM 399 CA LEU A 27 1.881 -12.203 -3.294 1.00 0.00 C ATOM 400 C LEU A 27 1.453 -12.824 -4.620 1.00 0.00 C ATOM 401 O LEU A 27 1.456 -14.045 -4.780 1.00 0.00 O ATOM 402 CB LEU A 27 0.687 -11.470 -2.680 1.00 0.00 C ATOM 403 CG LEU A 27 0.813 -11.477 -1.155 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.118 -10.243 -0.577 1.00 0.00 C ATOM 405 CD2 LEU A 27 0.153 -12.741 -0.596 1.00 0.00 C ATOM 0 H LEU A 27 2.770 -10.299 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 27 2.213 -12.990 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.648 -10.445 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.243 -11.952 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 27 1.867 -11.462 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.209 -10.250 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.586 -9.342 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.936 -10.256 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.242 -12.748 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.901 -12.755 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.648 -13.621 -1.006 1.00 0.00 H new ATOM 417 N LYS A 28 1.085 -11.968 -5.571 1.00 0.00 N ATOM 418 CA LYS A 28 0.654 -12.443 -6.884 1.00 0.00 C ATOM 419 C LYS A 28 1.775 -13.219 -7.569 1.00 0.00 C ATOM 420 O LYS A 28 1.526 -14.148 -8.340 1.00 0.00 O ATOM 421 CB LYS A 28 0.242 -11.266 -7.773 1.00 0.00 C ATOM 422 CG LYS A 28 1.396 -10.264 -7.871 1.00 0.00 C ATOM 423 CD LYS A 28 1.055 -9.192 -8.907 1.00 0.00 C ATOM 424 CE LYS A 28 1.369 -9.717 -10.308 1.00 0.00 C ATOM 425 NZ LYS A 28 1.468 -8.570 -11.257 1.00 0.00 N ATOM 0 H LYS A 28 1.076 -10.954 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.202 -13.101 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.026 -11.625 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.642 -10.779 -7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.574 -9.802 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.315 -10.778 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.001 -8.925 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.628 -8.286 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.305 -10.276 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.589 -10.406 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.682 -8.926 -12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.565 -8.055 -11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.227 -7.929 -10.949 1.00 0.00 H new ATOM 439 N HIS A 29 3.014 -12.829 -7.282 1.00 0.00 N ATOM 440 CA HIS A 29 4.170 -13.495 -7.875 1.00 0.00 C ATOM 441 C HIS A 29 4.208 -14.964 -7.464 1.00 0.00 C ATOM 442 O HIS A 29 4.653 -15.826 -8.224 1.00 0.00 O ATOM 443 CB HIS A 29 5.469 -12.820 -7.427 1.00 0.00 C ATOM 444 CG HIS A 29 5.817 -11.715 -8.387 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.724 -11.872 -9.761 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.260 -10.431 -8.186 1.00 0.00 C ATOM 447 CE1 HIS A 29 6.103 -10.713 -10.328 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.440 -9.800 -9.413 1.00 0.00 N ATOM 0 H HIS A 29 3.242 -12.063 -6.649 1.00 0.00 H new ATOM 0 HA HIS A 29 4.079 -13.422 -8.959 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.354 -12.419 -6.420 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.277 -13.551 -7.389 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.441 -9.979 -7.222 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.131 -10.541 -11.394 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.760 -8.846 -9.578 1.00 0.00 H new ATOM 456 N LYS A 30 3.736 -15.239 -6.252 1.00 0.00 N ATOM 457 CA LYS A 30 3.716 -16.608 -5.745 1.00 0.00 C ATOM 458 C LYS A 30 2.637 -17.422 -6.451 1.00 0.00 C ATOM 459 O LYS A 30 2.915 -18.466 -7.044 1.00 0.00 O ATOM 460 CB LYS A 30 3.444 -16.618 -4.239 1.00 0.00 C ATOM 461 CG LYS A 30 4.690 -16.140 -3.491 1.00 0.00 C ATOM 462 CD LYS A 30 4.782 -16.855 -2.143 1.00 0.00 C ATOM 463 CE LYS A 30 6.250 -16.975 -1.726 1.00 0.00 C ATOM 464 NZ LYS A 30 6.336 -17.109 -0.245 1.00 0.00 N ATOM 0 H LYS A 30 3.366 -14.540 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 30 4.692 -17.053 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.598 -15.971 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.175 -17.623 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.582 -16.342 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.645 -15.061 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.223 -16.303 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.331 -17.845 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.706 -17.840 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.806 -16.097 -2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.333 -17.191 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.916 -16.271 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.819 -17.960 0.057 1.00 0.00 H new ATOM 478 N LEU A 31 1.403 -16.935 -6.381 1.00 0.00 N ATOM 479 CA LEU A 31 0.284 -17.623 -7.017 1.00 0.00 C ATOM 480 C LEU A 31 0.489 -17.693 -8.527 1.00 0.00 C ATOM 481 O LEU A 31 0.078 -18.650 -9.181 1.00 0.00 O ATOM 482 CB LEU A 31 -1.031 -16.896 -6.726 1.00 0.00 C ATOM 483 CG LEU A 31 -1.630 -17.429 -5.424 1.00 0.00 C ATOM 484 CD1 LEU A 31 -0.724 -17.050 -4.251 1.00 0.00 C ATOM 485 CD2 LEU A 31 -3.016 -16.815 -5.214 1.00 0.00 C ATOM 0 H LEU A 31 1.153 -16.074 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 31 0.237 -18.633 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.856 -15.823 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.731 -17.044 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.715 -18.514 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.152 -17.430 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.265 -17.484 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.639 -15.965 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.445 -17.194 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.928 -15.730 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.663 -17.083 -6.049 1.00 0.00 H new ATOM 497 N GLU A 32 1.131 -16.664 -9.072 1.00 0.00 N ATOM 498 CA GLU A 32 1.388 -16.611 -10.509 1.00 0.00 C ATOM 499 C GLU A 32 2.413 -17.670 -10.910 1.00 0.00 C ATOM 500 O GLU A 32 2.388 -18.185 -12.027 1.00 0.00 O ATOM 501 CB GLU A 32 1.913 -15.232 -10.910 1.00 0.00 C ATOM 502 CG GLU A 32 0.746 -14.248 -11.006 1.00 0.00 C ATOM 503 CD GLU A 32 0.148 -14.303 -12.407 1.00 0.00 C ATOM 504 OE1 GLU A 32 0.045 -15.395 -12.942 1.00 0.00 O ATOM 505 OE2 GLU A 32 -0.198 -13.253 -12.923 1.00 0.00 O ATOM 0 H GLU A 32 1.480 -15.862 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 32 0.447 -16.804 -11.024 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.639 -14.881 -10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.431 -15.293 -11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.014 -14.495 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.090 -13.237 -10.785 1.00 0.00 H new ATOM 512 N GLN A 33 3.318 -17.985 -9.986 1.00 0.00 N ATOM 513 CA GLN A 33 4.352 -18.982 -10.257 1.00 0.00 C ATOM 514 C GLN A 33 3.954 -20.338 -9.678 1.00 0.00 C ATOM 515 O GLN A 33 4.790 -21.078 -9.154 1.00 0.00 O ATOM 516 CB GLN A 33 5.686 -18.543 -9.645 1.00 0.00 C ATOM 517 CG GLN A 33 6.838 -18.993 -10.548 1.00 0.00 C ATOM 518 CD GLN A 33 7.247 -20.415 -10.183 1.00 0.00 C ATOM 519 OE1 GLN A 33 7.820 -20.649 -9.119 1.00 0.00 O ATOM 520 NE2 GLN A 33 6.984 -21.389 -11.011 1.00 0.00 N ATOM 0 H GLN A 33 3.357 -17.571 -9.055 1.00 0.00 H new ATOM 0 HA GLN A 33 4.461 -19.073 -11.338 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.705 -17.460 -9.527 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.801 -18.974 -8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.533 -18.948 -11.593 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.687 -18.319 -10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.509 -21.195 -11.893 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.253 -22.344 -10.776 1.00 0.00 H new ATOM 529 N LEU A 34 2.668 -20.662 -9.782 1.00 0.00 N ATOM 530 CA LEU A 34 2.169 -21.934 -9.268 1.00 0.00 C ATOM 531 C LEU A 34 1.825 -22.873 -10.421 1.00 0.00 C ATOM 532 O LEU A 34 0.876 -22.633 -11.168 1.00 0.00 O ATOM 533 CB LEU A 34 0.921 -21.717 -8.409 1.00 0.00 C ATOM 534 CG LEU A 34 1.329 -21.556 -6.943 1.00 0.00 C ATOM 535 CD1 LEU A 34 0.129 -21.072 -6.128 1.00 0.00 C ATOM 536 CD2 LEU A 34 1.806 -22.905 -6.395 1.00 0.00 C ATOM 0 H LEU A 34 1.959 -20.068 -10.213 1.00 0.00 H new ATOM 0 HA LEU A 34 2.953 -22.380 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.384 -20.831 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.241 -22.562 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 34 2.136 -20.827 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.421 -20.958 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.212 -20.112 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.678 -21.801 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.097 -22.791 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.999 -23.634 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.662 -23.251 -6.974 1.00 0.00 H new HETATM 548 N NH2 A 35 2.549 -23.942 -10.611 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 -2.527 24.688 -0.677 1.00 0.00 C HETATM 553 O ACE B 2 -1.836 23.696 -0.444 1.00 0.00 O HETATM 554 CH3 ACE B 2 -1.933 25.920 -1.353 1.00 0.00 C HETATM 0 H1 ACE B 2 -2.461 26.112 -2.287 1.00 0.00 H new HETATM 0 H2 ACE B 2 -2.036 26.782 -0.694 1.00 0.00 H new HETATM 0 H3 ACE B 2 -0.877 25.747 -1.561 1.00 0.00 H new ATOM 558 N CYS B 3 -3.818 24.764 -0.365 1.00 0.00 N ATOM 559 CA CYS B 3 -4.501 23.649 0.286 1.00 0.00 C ATOM 560 C CYS B 3 -5.356 22.888 -0.722 1.00 0.00 C ATOM 561 O CYS B 3 -5.501 21.668 -0.641 1.00 0.00 O ATOM 562 CB CYS B 3 -5.399 24.157 1.416 1.00 0.00 C ATOM 563 SG CYS B 3 -4.433 24.280 2.942 1.00 0.00 S ATOM 0 H CYS B 3 -4.407 25.576 -0.550 1.00 0.00 H new ATOM 0 HA CYS B 3 -3.742 22.983 0.697 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -5.814 25.131 1.156 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -6.241 23.480 1.559 1.00 0.00 H new ATOM 568 N GLY B 4 -5.920 23.624 -1.677 1.00 0.00 N ATOM 569 CA GLY B 4 -6.760 23.010 -2.702 1.00 0.00 C ATOM 570 C GLY B 4 -5.921 22.168 -3.657 1.00 0.00 C ATOM 571 O GLY B 4 -4.928 22.638 -4.211 1.00 0.00 O ATOM 0 H GLY B 4 -5.813 24.635 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -7.519 22.386 -2.231 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -7.286 23.785 -3.260 1.00 0.00 H new ATOM 575 N GLY B 5 -6.332 20.917 -3.842 1.00 0.00 N ATOM 576 CA GLY B 5 -5.611 20.013 -4.733 1.00 0.00 C ATOM 577 C GLY B 5 -4.633 19.147 -3.947 1.00 0.00 C ATOM 578 O GLY B 5 -4.600 17.926 -4.102 1.00 0.00 O ATOM 0 H GLY B 5 -7.152 20.509 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -6.319 19.378 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -5.071 20.589 -5.485 1.00 0.00 H new ATOM 582 N MET B 6 -3.836 19.793 -3.102 1.00 0.00 N ATOM 583 CA MET B 6 -2.856 19.074 -2.292 1.00 0.00 C ATOM 584 C MET B 6 -3.558 18.115 -1.337 1.00 0.00 C ATOM 585 O MET B 6 -3.104 16.993 -1.113 1.00 0.00 O ATOM 586 CB MET B 6 -2.007 20.055 -1.480 1.00 0.00 C ATOM 587 CG MET B 6 -1.021 20.767 -2.410 1.00 0.00 C ATOM 588 SD MET B 6 0.158 21.719 -1.421 1.00 0.00 S ATOM 589 CE MET B 6 1.557 21.600 -2.562 1.00 0.00 C ATOM 0 H MET B 6 -3.848 20.803 -2.960 1.00 0.00 H new ATOM 0 HA MET B 6 -2.211 18.510 -2.966 1.00 0.00 H new ATOM 0 HB2 MET B 6 -2.648 20.784 -0.985 1.00 0.00 H new ATOM 0 HB3 MET B 6 -1.466 19.523 -0.697 1.00 0.00 H new ATOM 0 HG2 MET B 6 -0.492 20.038 -3.024 1.00 0.00 H new ATOM 0 HG3 MET B 6 -1.558 21.427 -3.091 1.00 0.00 H new ATOM 0 HE1 MET B 6 2.413 22.129 -2.144 1.00 0.00 H new ATOM 0 HE2 MET B 6 1.816 20.552 -2.712 1.00 0.00 H new ATOM 0 HE3 MET B 6 1.286 22.047 -3.518 1.00 0.00 H new ATOM 599 N ARG B 7 -4.673 18.572 -0.772 1.00 0.00 N ATOM 600 CA ARG B 7 -5.436 17.749 0.161 1.00 0.00 C ATOM 601 C ARG B 7 -5.951 16.493 -0.535 1.00 0.00 C ATOM 602 O ARG B 7 -6.038 15.423 0.067 1.00 0.00 O ATOM 603 CB ARG B 7 -6.625 18.532 0.718 1.00 0.00 C ATOM 604 CG ARG B 7 -7.247 17.761 1.886 1.00 0.00 C ATOM 605 CD ARG B 7 -6.383 17.922 3.142 1.00 0.00 C ATOM 606 NE ARG B 7 -5.741 16.653 3.493 1.00 0.00 N ATOM 607 CZ ARG B 7 -6.414 15.655 4.084 1.00 0.00 C ATOM 608 NH1 ARG B 7 -7.687 15.770 4.375 1.00 0.00 N ATOM 609 NH2 ARG B 7 -5.789 14.547 4.375 1.00 0.00 N ATOM 0 H ARG B 7 -5.065 19.498 -0.942 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.773 17.466 0.979 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.300 19.517 1.052 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.368 18.689 -0.064 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -8.255 18.128 2.079 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -7.336 16.705 1.629 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -5.623 18.685 2.972 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -7.000 18.266 3.972 1.00 0.00 H new ATOM 0 HE ARG B 7 -4.752 16.525 3.281 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -8.185 16.632 4.152 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -8.179 14.998 4.825 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -4.799 14.447 4.153 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -6.291 13.781 4.825 1.00 0.00 H new ATOM 623 N ARG B 8 -6.292 16.636 -1.812 1.00 0.00 N ATOM 624 CA ARG B 8 -6.799 15.507 -2.588 1.00 0.00 C ATOM 625 C ARG B 8 -5.698 14.474 -2.804 1.00 0.00 C ATOM 626 O ARG B 8 -5.940 13.268 -2.752 1.00 0.00 O ATOM 627 CB ARG B 8 -7.314 15.981 -3.948 1.00 0.00 C ATOM 628 CG ARG B 8 -8.601 16.785 -3.756 1.00 0.00 C ATOM 629 CD ARG B 8 -9.517 16.576 -4.963 1.00 0.00 C ATOM 630 NE ARG B 8 -10.919 16.785 -4.589 1.00 0.00 N ATOM 631 CZ ARG B 8 -11.586 15.916 -3.815 1.00 0.00 C ATOM 632 NH1 ARG B 8 -11.008 14.832 -3.353 1.00 0.00 N ATOM 633 NH2 ARG B 8 -12.833 16.154 -3.514 1.00 0.00 N ATOM 0 H ARG B 8 -6.228 17.513 -2.328 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.618 15.054 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.560 16.595 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.501 15.125 -4.596 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -9.107 16.470 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.368 17.844 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.241 17.266 -5.760 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.386 15.568 -5.355 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.402 17.617 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.033 14.637 -3.581 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -11.534 14.184 -2.766 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -13.291 16.994 -3.867 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -13.350 15.500 -2.926 1.00 0.00 H new ATOM 647 N LYS B 9 -4.485 14.961 -3.048 1.00 0.00 N ATOM 648 CA LYS B 9 -3.348 14.072 -3.270 1.00 0.00 C ATOM 649 C LYS B 9 -3.080 13.229 -2.028 1.00 0.00 C ATOM 650 O LYS B 9 -2.973 12.006 -2.101 1.00 0.00 O ATOM 651 CB LYS B 9 -2.093 14.880 -3.606 1.00 0.00 C ATOM 652 CG LYS B 9 -1.145 14.025 -4.449 1.00 0.00 C ATOM 653 CD LYS B 9 -1.670 13.938 -5.882 1.00 0.00 C ATOM 654 CE LYS B 9 -1.027 15.039 -6.729 1.00 0.00 C ATOM 655 NZ LYS B 9 0.219 14.516 -7.358 1.00 0.00 N ATOM 0 H LYS B 9 -4.264 15.956 -3.097 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.592 13.418 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.365 15.784 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.596 15.197 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.145 14.459 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.061 13.026 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.443 12.959 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -2.755 14.045 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.723 15.374 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.798 15.904 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.657 15.263 -7.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 0.883 14.217 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.013 13.703 -7.964 1.00 0.00 H new ATOM 669 N ASN B 10 -2.972 13.902 -0.885 1.00 0.00 N ATOM 670 CA ASN B 10 -2.715 13.206 0.374 1.00 0.00 C ATOM 671 C ASN B 10 -3.881 12.286 0.723 1.00 0.00 C ATOM 672 O ASN B 10 -3.698 11.228 1.323 1.00 0.00 O ATOM 673 CB ASN B 10 -2.516 14.212 1.509 1.00 0.00 C ATOM 674 CG ASN B 10 -1.066 14.680 1.527 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.402 14.707 0.491 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.528 15.057 2.655 1.00 0.00 N ATOM 0 H ASN B 10 -3.057 14.915 -0.804 1.00 0.00 H new ATOM 0 HA ASN B 10 -1.809 12.612 0.252 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.182 15.064 1.375 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.773 13.754 2.464 1.00 0.00 H new ATOM 0 HD21 ASN B 10 0.441 15.373 2.677 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.077 15.035 3.514 1.00 0.00 H new ATOM 683 N ASP B 11 -5.084 12.704 0.337 1.00 0.00 N ATOM 684 CA ASP B 11 -6.279 11.910 0.611 1.00 0.00 C ATOM 685 C ASP B 11 -6.193 10.557 -0.085 1.00 0.00 C ATOM 686 O ASP B 11 -6.424 9.512 0.525 1.00 0.00 O ATOM 687 CB ASP B 11 -7.531 12.641 0.125 1.00 0.00 C ATOM 688 CG ASP B 11 -8.772 11.966 0.698 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.785 11.711 1.892 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.690 11.711 -0.064 1.00 0.00 O ATOM 0 H ASP B 11 -5.257 13.577 -0.161 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.341 11.760 1.689 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.497 13.686 0.434 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.570 12.632 -0.964 1.00 0.00 H new ATOM 695 N THR B 12 -5.855 10.588 -1.371 1.00 0.00 N ATOM 696 CA THR B 12 -5.736 9.356 -2.147 1.00 0.00 C ATOM 697 C THR B 12 -4.638 8.466 -1.572 1.00 0.00 C ATOM 698 O THR B 12 -4.722 7.239 -1.624 1.00 0.00 O ATOM 699 CB THR B 12 -5.408 9.673 -3.607 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.582 10.827 -3.665 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.702 9.929 -4.381 1.00 0.00 C ATOM 0 H THR B 12 -5.660 11.442 -1.894 1.00 0.00 H new ATOM 0 HA THR B 12 -6.691 8.833 -2.095 1.00 0.00 H new ATOM 0 HB THR B 12 -4.884 8.828 -4.053 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.936 10.804 -2.929 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.465 10.155 -5.421 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.334 9.042 -4.337 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.230 10.773 -3.938 1.00 0.00 H new ATOM 709 N HIS B 13 -3.605 9.101 -1.024 1.00 0.00 N ATOM 710 CA HIS B 13 -2.490 8.362 -0.438 1.00 0.00 C ATOM 711 C HIS B 13 -2.972 7.506 0.728 1.00 0.00 C ATOM 712 O HIS B 13 -2.517 6.379 0.922 1.00 0.00 O ATOM 713 CB HIS B 13 -1.412 9.325 0.062 1.00 0.00 C ATOM 714 CG HIS B 13 -0.424 9.594 -1.040 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.253 8.575 -1.691 1.00 0.00 N ATOM 716 CD2 HIS B 13 0.012 10.762 -1.616 1.00 0.00 C ATOM 717 CE1 HIS B 13 1.053 9.144 -2.611 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.945 10.475 -2.607 1.00 0.00 N ATOM 0 H HIS B 13 -3.517 10.116 -0.973 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.070 7.719 -1.211 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.868 10.259 0.391 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.902 8.899 0.926 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.319 11.753 -1.341 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.704 8.591 -3.273 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.440 11.139 -3.203 1.00 0.00 H new ATOM 726 N GLN B 14 -3.900 8.058 1.504 1.00 0.00 N ATOM 727 CA GLN B 14 -4.442 7.341 2.654 1.00 0.00 C ATOM 728 C GLN B 14 -5.311 6.175 2.194 1.00 0.00 C ATOM 729 O GLN B 14 -5.174 5.050 2.677 1.00 0.00 O ATOM 730 CB GLN B 14 -5.286 8.278 3.522 1.00 0.00 C ATOM 731 CG GLN B 14 -4.374 9.037 4.488 1.00 0.00 C ATOM 732 CD GLN B 14 -4.964 10.413 4.773 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.184 10.582 4.783 1.00 0.00 O ATOM 734 NE2 GLN B 14 -4.164 11.417 5.005 1.00 0.00 N ATOM 0 H GLN B 14 -4.289 8.990 1.360 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.604 6.962 3.238 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.832 8.981 2.893 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.028 7.706 4.079 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.265 8.477 5.417 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -3.377 9.139 4.059 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -3.154 11.277 4.997 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.549 12.342 5.195 1.00 0.00 H new ATOM 743 N GLN B 15 -6.207 6.454 1.252 1.00 0.00 N ATOM 744 CA GLN B 15 -7.097 5.421 0.729 1.00 0.00 C ATOM 745 C GLN B 15 -6.289 4.319 0.050 1.00 0.00 C ATOM 746 O GLN B 15 -6.607 3.135 0.164 1.00 0.00 O ATOM 747 CB GLN B 15 -8.076 6.018 -0.283 1.00 0.00 C ATOM 748 CG GLN B 15 -9.082 6.912 0.446 1.00 0.00 C ATOM 749 CD GLN B 15 -9.683 7.910 -0.538 1.00 0.00 C ATOM 750 OE1 GLN B 15 -9.009 8.364 -1.461 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.925 8.281 -0.393 1.00 0.00 N ATOM 0 H GLN B 15 -6.336 7.377 0.838 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.655 5.001 1.566 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.534 6.597 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.598 5.222 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.870 6.304 0.890 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.590 7.441 1.262 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -11.484 7.904 0.373 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.338 8.948 -1.045 1.00 0.00 H new ATOM 760 N ASP B 16 -5.238 4.723 -0.658 1.00 0.00 N ATOM 761 CA ASP B 16 -4.386 3.762 -1.352 1.00 0.00 C ATOM 762 C ASP B 16 -3.727 2.819 -0.351 1.00 0.00 C ATOM 763 O ASP B 16 -3.634 1.614 -0.576 1.00 0.00 O ATOM 764 CB ASP B 16 -3.295 4.487 -2.146 1.00 0.00 C ATOM 765 CG ASP B 16 -2.843 3.608 -3.308 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.441 3.703 -4.365 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.903 2.852 -3.120 1.00 0.00 O ATOM 0 H ASP B 16 -4.958 5.698 -0.766 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.012 3.189 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.674 5.438 -2.521 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.449 4.715 -1.498 1.00 0.00 H new ATOM 772 N ILE B 17 -3.272 3.387 0.764 1.00 0.00 N ATOM 773 CA ILE B 17 -2.623 2.596 1.809 1.00 0.00 C ATOM 774 C ILE B 17 -3.585 1.530 2.338 1.00 0.00 C ATOM 775 O ILE B 17 -3.404 0.335 2.110 1.00 0.00 O ATOM 776 CB ILE B 17 -2.171 3.522 2.968 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.840 4.198 2.598 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.002 2.743 4.291 1.00 0.00 C ATOM 779 CD1 ILE B 17 0.257 3.144 2.390 1.00 0.00 C ATOM 0 H ILE B 17 -3.340 4.384 0.967 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.749 2.102 1.385 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.947 4.273 3.117 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.964 4.787 1.689 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.544 4.889 3.387 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.685 3.427 5.078 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.952 2.287 4.568 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.250 1.965 4.162 1.00 0.00 H new ATOM 0 HD11 ILE B 17 1.192 3.639 2.129 1.00 0.00 H new ATOM 0 HD12 ILE B 17 0.393 2.574 3.309 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.034 2.470 1.584 1.00 0.00 H new ATOM 791 N ASP B 18 -4.587 1.991 3.080 1.00 0.00 N ATOM 792 CA ASP B 18 -5.565 1.092 3.687 1.00 0.00 C ATOM 793 C ASP B 18 -6.106 0.074 2.676 1.00 0.00 C ATOM 794 O ASP B 18 -6.509 -1.029 3.043 1.00 0.00 O ATOM 795 CB ASP B 18 -6.736 1.899 4.260 1.00 0.00 C ATOM 796 CG ASP B 18 -6.474 2.210 5.729 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.406 1.276 6.511 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.344 3.380 6.053 1.00 0.00 O ATOM 0 H ASP B 18 -4.744 2.980 3.276 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.057 0.549 4.484 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.861 2.825 3.699 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.664 1.336 4.157 1.00 0.00 H new ATOM 803 N ASP B 19 -6.111 0.460 1.401 1.00 0.00 N ATOM 804 CA ASP B 19 -6.606 -0.422 0.344 1.00 0.00 C ATOM 805 C ASP B 19 -5.558 -1.472 -0.030 1.00 0.00 C ATOM 806 O ASP B 19 -5.891 -2.558 -0.502 1.00 0.00 O ATOM 807 CB ASP B 19 -6.962 0.388 -0.904 1.00 0.00 C ATOM 808 CG ASP B 19 -7.767 -0.483 -1.862 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.930 -0.722 -1.582 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.208 -0.898 -2.865 1.00 0.00 O ATOM 0 H ASP B 19 -5.781 1.369 1.076 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.496 -0.924 0.724 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.539 1.270 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.054 0.742 -1.393 1.00 0.00 H new ATOM 815 N LEU B 20 -4.287 -1.137 0.184 1.00 0.00 N ATOM 816 CA LEU B 20 -3.204 -2.063 -0.135 1.00 0.00 C ATOM 817 C LEU B 20 -3.034 -3.087 0.982 1.00 0.00 C ATOM 818 O LEU B 20 -2.829 -4.276 0.732 1.00 0.00 O ATOM 819 CB LEU B 20 -1.886 -1.306 -0.317 1.00 0.00 C ATOM 820 CG LEU B 20 -1.906 -0.554 -1.648 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.829 0.532 -1.638 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.630 -1.533 -2.790 1.00 0.00 C ATOM 0 H LEU B 20 -3.985 -0.243 0.572 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.461 -2.573 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.741 -0.606 0.506 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.048 -2.003 -0.294 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.884 -0.094 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.844 1.068 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.024 1.230 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.149 0.073 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.644 -0.998 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.652 -1.993 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.397 -2.307 -2.799 1.00 0.00 H new ATOM 834 N LYS B 21 -3.116 -2.609 2.220 1.00 0.00 N ATOM 835 CA LYS B 21 -2.964 -3.486 3.381 1.00 0.00 C ATOM 836 C LYS B 21 -4.154 -4.434 3.505 1.00 0.00 C ATOM 837 O LYS B 21 -4.010 -5.575 3.944 1.00 0.00 O ATOM 838 CB LYS B 21 -2.837 -2.667 4.673 1.00 0.00 C ATOM 839 CG LYS B 21 -3.952 -1.625 4.745 1.00 0.00 C ATOM 840 CD LYS B 21 -4.083 -1.117 6.183 1.00 0.00 C ATOM 841 CE LYS B 21 -2.981 -0.094 6.465 1.00 0.00 C ATOM 842 NZ LYS B 21 -3.361 0.732 7.646 1.00 0.00 N ATOM 0 H LYS B 21 -3.285 -1.629 2.446 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.054 -4.068 3.234 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.889 -3.328 5.538 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -1.865 -2.174 4.707 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.733 -0.795 4.073 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -4.895 -2.062 4.415 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -5.063 -0.663 6.332 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -4.009 -1.950 6.882 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -2.036 -0.604 6.653 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -2.831 0.544 5.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -2.713 1.541 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -4.334 1.079 7.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -3.301 0.153 8.508 1.00 0.00 H new ATOM 856 N ARG B 22 -5.334 -3.954 3.117 1.00 0.00 N ATOM 857 CA ARG B 22 -6.537 -4.779 3.194 1.00 0.00 C ATOM 858 C ARG B 22 -6.572 -5.782 2.044 1.00 0.00 C ATOM 859 O ARG B 22 -7.068 -6.899 2.187 1.00 0.00 O ATOM 860 CB ARG B 22 -7.803 -3.910 3.157 1.00 0.00 C ATOM 861 CG ARG B 22 -7.853 -3.102 1.857 1.00 0.00 C ATOM 862 CD ARG B 22 -8.740 -3.818 0.838 1.00 0.00 C ATOM 863 NE ARG B 22 -8.361 -3.447 -0.528 1.00 0.00 N ATOM 864 CZ ARG B 22 -9.168 -3.668 -1.577 1.00 0.00 C ATOM 865 NH1 ARG B 22 -10.342 -4.232 -1.426 1.00 0.00 N ATOM 866 NH2 ARG B 22 -8.776 -3.313 -2.770 1.00 0.00 N ATOM 0 H ARG B 22 -5.482 -3.013 2.752 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.510 -5.319 4.141 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.688 -4.541 3.236 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -7.815 -3.236 4.013 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.242 -2.103 2.053 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -6.847 -2.979 1.455 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.651 -4.897 0.965 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.785 -3.561 1.014 1.00 0.00 H new ATOM 0 HE ARG B 22 -7.455 -3.007 -0.687 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.658 -4.512 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -10.940 -4.391 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -7.865 -2.873 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -9.381 -3.476 -3.575 1.00 0.00 H new ATOM 880 N GLN B 23 -6.033 -5.368 0.900 1.00 0.00 N ATOM 881 CA GLN B 23 -6.002 -6.239 -0.274 1.00 0.00 C ATOM 882 C GLN B 23 -5.007 -7.375 -0.061 1.00 0.00 C ATOM 883 O GLN B 23 -5.290 -8.533 -0.369 1.00 0.00 O ATOM 884 CB GLN B 23 -5.599 -5.445 -1.519 1.00 0.00 C ATOM 885 CG GLN B 23 -5.752 -6.325 -2.763 1.00 0.00 C ATOM 886 CD GLN B 23 -7.225 -6.657 -2.976 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.041 -5.765 -3.214 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.618 -7.900 -2.908 1.00 0.00 N ATOM 0 H GLN B 23 -5.617 -4.447 0.760 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.001 -6.652 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.222 -4.555 -1.612 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.568 -5.104 -1.427 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.355 -5.809 -3.637 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.175 -7.242 -2.645 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.942 -8.638 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -8.601 -8.133 -3.052 1.00 0.00 H new ATOM 897 N ASN B 24 -3.838 -7.030 0.471 1.00 0.00 N ATOM 898 CA ASN B 24 -2.803 -8.028 0.725 1.00 0.00 C ATOM 899 C ASN B 24 -3.266 -9.013 1.793 1.00 0.00 C ATOM 900 O ASN B 24 -2.909 -10.191 1.768 1.00 0.00 O ATOM 901 CB ASN B 24 -1.512 -7.355 1.193 1.00 0.00 C ATOM 902 CG ASN B 24 -0.643 -7.022 -0.016 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.736 -7.678 -1.052 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.204 -6.033 0.058 1.00 0.00 N ATOM 0 H ASN B 24 -3.585 -6.077 0.732 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.615 -8.562 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.744 -6.446 1.748 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.971 -8.014 1.872 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.790 -5.803 -0.744 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.280 -5.490 0.918 1.00 0.00 H new ATOM 911 N ALA B 25 -4.067 -8.518 2.733 1.00 0.00 N ATOM 912 CA ALA B 25 -4.577 -9.362 3.809 1.00 0.00 C ATOM 913 C ALA B 25 -5.440 -10.484 3.242 1.00 0.00 C ATOM 914 O ALA B 25 -5.298 -11.648 3.619 1.00 0.00 O ATOM 915 CB ALA B 25 -5.415 -8.536 4.787 1.00 0.00 C ATOM 0 H ALA B 25 -4.374 -7.546 2.772 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.723 -9.789 4.334 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.787 -9.182 5.583 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.799 -7.747 5.218 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.257 -8.090 4.258 1.00 0.00 H new ATOM 921 N LEU B 26 -6.337 -10.122 2.328 1.00 0.00 N ATOM 922 CA LEU B 26 -7.220 -11.107 1.710 1.00 0.00 C ATOM 923 C LEU B 26 -6.409 -12.093 0.872 1.00 0.00 C ATOM 924 O LEU B 26 -6.670 -13.296 0.878 1.00 0.00 O ATOM 925 CB LEU B 26 -8.254 -10.412 0.811 1.00 0.00 C ATOM 926 CG LEU B 26 -9.558 -10.158 1.584 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.166 -11.489 2.033 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.277 -9.284 2.811 1.00 0.00 C ATOM 0 H LEU B 26 -6.471 -9.165 2.002 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.737 -11.645 2.504 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.851 -9.467 0.447 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.458 -11.030 -0.064 1.00 0.00 H new ATOM 0 HG LEU B 26 -10.261 -9.643 0.929 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -11.090 -11.301 2.580 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -10.381 -12.104 1.159 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.461 -12.011 2.680 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.206 -9.109 3.353 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -8.566 -9.791 3.464 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.859 -8.330 2.490 1.00 0.00 H new ATOM 940 N LEU B 27 -5.422 -11.566 0.153 1.00 0.00 N ATOM 941 CA LEU B 27 -4.574 -12.406 -0.688 1.00 0.00 C ATOM 942 C LEU B 27 -3.762 -13.370 0.172 1.00 0.00 C ATOM 943 O LEU B 27 -3.683 -14.564 -0.114 1.00 0.00 O ATOM 944 CB LEU B 27 -3.615 -11.546 -1.514 1.00 0.00 C ATOM 945 CG LEU B 27 -4.418 -10.654 -2.462 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.495 -9.602 -3.079 1.00 0.00 C ATOM 947 CD2 LEU B 27 -5.026 -11.512 -3.573 1.00 0.00 C ATOM 0 H LEU B 27 -5.191 -10.573 0.135 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.221 -12.971 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.000 -10.933 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.937 -12.182 -2.083 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.214 -10.157 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.068 -8.967 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.060 -8.991 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.699 -10.097 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.599 -10.878 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.229 -12.008 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.684 -12.262 -3.134 1.00 0.00 H new ATOM 959 N GLU B 28 -3.162 -12.835 1.232 1.00 0.00 N ATOM 960 CA GLU B 28 -2.354 -13.651 2.139 1.00 0.00 C ATOM 961 C GLU B 28 -3.193 -14.780 2.735 1.00 0.00 C ATOM 962 O GLU B 28 -2.749 -15.925 2.822 1.00 0.00 O ATOM 963 CB GLU B 28 -1.793 -12.787 3.273 1.00 0.00 C ATOM 964 CG GLU B 28 -0.845 -13.620 4.142 1.00 0.00 C ATOM 965 CD GLU B 28 0.335 -12.761 4.584 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.295 -12.676 3.835 1.00 0.00 O ATOM 967 OE2 GLU B 28 0.264 -12.201 5.664 1.00 0.00 O ATOM 0 H GLU B 28 -3.218 -11.848 1.484 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.531 -14.079 1.567 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.263 -11.929 2.860 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.608 -12.395 3.881 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.376 -14.002 5.014 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.488 -14.485 3.582 1.00 0.00 H new ATOM 974 N GLN B 29 -4.414 -14.442 3.147 1.00 0.00 N ATOM 975 CA GLN B 29 -5.318 -15.431 3.738 1.00 0.00 C ATOM 976 C GLN B 29 -5.521 -16.612 2.791 1.00 0.00 C ATOM 977 O GLN B 29 -5.589 -17.765 3.219 1.00 0.00 O ATOM 978 CB GLN B 29 -6.680 -14.797 4.037 1.00 0.00 C ATOM 979 CG GLN B 29 -7.428 -15.656 5.059 1.00 0.00 C ATOM 980 CD GLN B 29 -7.047 -15.218 6.470 1.00 0.00 C ATOM 981 OE1 GLN B 29 -6.003 -15.614 6.989 1.00 0.00 O ATOM 982 NE2 GLN B 29 -7.838 -14.415 7.126 1.00 0.00 N ATOM 0 H GLN B 29 -4.799 -13.500 3.084 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.865 -15.784 4.664 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.546 -13.787 4.423 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.263 -14.713 3.120 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -8.504 -15.557 4.914 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -7.182 -16.708 4.915 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -8.703 -14.087 6.696 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -7.592 -14.115 8.069 1.00 0.00 H new ATOM 991 N GLN B 30 -5.606 -16.310 1.498 1.00 0.00 N ATOM 992 CA GLN B 30 -5.792 -17.354 0.494 1.00 0.00 C ATOM 993 C GLN B 30 -4.467 -18.065 0.229 1.00 0.00 C ATOM 994 O GLN B 30 -4.431 -19.267 -0.033 1.00 0.00 O ATOM 995 CB GLN B 30 -6.307 -16.754 -0.815 1.00 0.00 C ATOM 996 CG GLN B 30 -7.697 -16.154 -0.589 1.00 0.00 C ATOM 997 CD GLN B 30 -8.747 -17.256 -0.669 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.463 -18.416 -0.371 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.957 -16.959 -1.057 1.00 0.00 N ATOM 0 H GLN B 30 -5.550 -15.363 1.124 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.524 -18.067 0.874 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -5.621 -15.985 -1.170 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.352 -17.522 -1.587 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.740 -15.666 0.385 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.900 -15.389 -1.338 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -10.192 -15.998 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.668 -17.688 -1.113 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.380 -17.302 0.305 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.049 -17.860 0.078 1.00 0.00 C ATOM 1010 C VAL B 31 -1.660 -18.782 1.233 1.00 0.00 C ATOM 1011 O VAL B 31 -0.963 -19.777 1.044 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.016 -16.731 -0.043 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.360 -17.317 -0.380 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.443 -15.761 -1.154 1.00 0.00 C ATOM 0 H VAL B 31 -3.393 -16.305 0.520 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.067 -18.433 -0.849 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.957 -16.198 0.906 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.088 -16.510 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.667 -18.002 0.410 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.304 -17.856 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.709 -14.960 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.506 -16.297 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.417 -15.336 -0.912 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.124 -18.436 2.431 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.822 -19.238 3.613 1.00 0.00 C ATOM 1026 C ARG B 32 -2.398 -20.643 3.467 1.00 0.00 C ATOM 1027 O ARG B 32 -1.727 -21.637 3.741 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.409 -18.588 4.867 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.895 -19.315 6.111 1.00 0.00 C ATOM 1030 CD ARG B 32 -2.927 -19.201 7.233 1.00 0.00 C ATOM 1031 NE ARG B 32 -2.698 -20.227 8.253 1.00 0.00 N ATOM 1032 CZ ARG B 32 -1.719 -20.120 9.164 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -0.919 -19.082 9.184 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -1.563 -21.067 10.049 1.00 0.00 N ATOM 0 H ARG B 32 -2.704 -17.616 2.608 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.738 -19.298 3.709 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.130 -17.535 4.908 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -3.498 -18.628 4.834 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.708 -20.364 5.881 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.946 -18.884 6.431 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.871 -18.211 7.686 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -3.931 -19.307 6.822 1.00 0.00 H new ATOM 0 HE ARG B 32 -3.302 -21.049 8.271 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -1.035 -18.336 8.498 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -0.181 -19.020 9.885 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -2.182 -21.878 10.043 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.822 -20.996 10.746 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.652 -20.711 3.029 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.316 -21.999 2.847 1.00 0.00 C ATOM 1050 C ALA B 33 -3.616 -22.811 1.763 1.00 0.00 C ATOM 1051 O ALA B 33 -3.471 -24.028 1.872 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.780 -21.796 2.452 1.00 0.00 C ATOM 0 H ALA B 33 -4.224 -19.899 2.796 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.268 -22.539 3.793 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.259 -22.766 2.321 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.295 -21.240 3.236 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.831 -21.237 1.518 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.182 -22.120 0.711 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.495 -22.783 -0.393 1.00 0.00 C ATOM 1060 C LEU B 34 -0.984 -22.714 -0.201 1.00 0.00 C ATOM 1061 O LEU B 34 -0.224 -22.665 -1.168 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.858 -22.121 -1.723 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.285 -22.509 -2.116 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -4.933 -21.359 -2.887 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.248 -23.757 -2.999 1.00 0.00 C ATOM 0 H LEU B 34 -3.292 -21.112 0.601 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.812 -23.826 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.776 -21.038 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.159 -22.433 -2.499 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.866 -22.716 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.949 -21.636 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.959 -20.469 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.353 -21.151 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.264 -24.034 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.667 -23.550 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.786 -24.578 -2.450 1.00 0.00 H new HETATM 1077 N NH2 B 35 -0.495 -22.707 1.011 1.00 0.00 N TER 1080 NH2 B 35