USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=4 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= -2.09! K(o=-2.1!,f=-0.12) USER MOD Single : A 11 GLN : amide:sc= -1.52 X(o=-1.5,f=-1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 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=-0.055) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -3.82 X(o=-3.8,f=-4.1!) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.0621 (180deg=-0.576) USER MOD Single : A 33 GLN : amide:sc= -0.853 K(o=-0.85,f=-6!) 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= -1.7 K(o=-1.7,f=-3.8!) USER MOD Single : B 12 THR OG1 : rot 102:sc= 1.34 USER MOD Single : B 13 HIS : no HE2:sc= -5.79 K(o=-5.8,f=-9.1!) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : B 15 GLN : amide:sc= -0.152 X(o=-0.15,f=0.028) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.691 K(o=-0.69,f=-2!) USER MOD Single : B 24 ASN : amide:sc= -2.5 K(o=-2.5,f=-7.9!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 4.192 22.559 -2.163 1.00 0.00 C HETATM 2 O ACE A 2 3.389 22.587 -1.231 1.00 0.00 O HETATM 3 CH3 ACE A 2 4.600 21.235 -2.803 1.00 0.00 C HETATM 0 H1 ACE A 2 4.335 21.245 -3.860 1.00 0.00 H new HETATM 0 H2 ACE A 2 5.676 21.098 -2.700 1.00 0.00 H new HETATM 0 H3 ACE A 2 4.080 20.415 -2.306 1.00 0.00 H new ATOM 7 N CYS A 3 4.769 23.654 -2.683 1.00 0.00 N ATOM 8 CA CYS A 3 4.496 25.021 -2.191 1.00 0.00 C ATOM 9 C CYS A 3 4.289 25.069 -0.673 1.00 0.00 C ATOM 10 O CYS A 3 3.480 25.844 -0.166 1.00 0.00 O ATOM 11 CB CYS A 3 3.269 25.622 -2.893 1.00 0.00 C ATOM 12 SG CYS A 3 1.801 24.606 -2.580 1.00 0.00 S ATOM 0 H CYS A 3 5.436 23.621 -3.454 1.00 0.00 H new ATOM 0 HA CYS A 3 5.380 25.613 -2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.099 26.638 -2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.452 25.688 -3.966 1.00 0.00 H new ATOM 17 N GLY A 4 5.033 24.227 0.040 1.00 0.00 N ATOM 18 CA GLY A 4 4.929 24.177 1.495 1.00 0.00 C ATOM 19 C GLY A 4 5.599 22.921 2.042 1.00 0.00 C ATOM 20 O GLY A 4 6.608 22.457 1.509 1.00 0.00 O ATOM 0 H GLY A 4 5.708 23.576 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.396 25.062 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.880 24.193 1.790 1.00 0.00 H new ATOM 24 N GLY A 5 5.028 22.378 3.112 1.00 0.00 N ATOM 25 CA GLY A 5 5.578 21.173 3.728 1.00 0.00 C ATOM 26 C GLY A 5 4.795 19.937 3.296 1.00 0.00 C ATOM 27 O GLY A 5 4.673 18.968 4.046 1.00 0.00 O ATOM 0 H GLY A 5 4.194 22.747 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.625 21.062 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.547 21.268 4.813 1.00 0.00 H new ATOM 31 N VAL A 6 4.264 19.982 2.076 1.00 0.00 N ATOM 32 CA VAL A 6 3.493 18.858 1.551 1.00 0.00 C ATOM 33 C VAL A 6 4.423 17.708 1.173 1.00 0.00 C ATOM 34 O VAL A 6 4.062 16.537 1.288 1.00 0.00 O ATOM 35 CB VAL A 6 2.697 19.283 0.314 1.00 0.00 C ATOM 36 CG1 VAL A 6 1.750 18.153 -0.098 1.00 0.00 C ATOM 37 CG2 VAL A 6 1.878 20.536 0.639 1.00 0.00 C ATOM 0 H VAL A 6 4.352 20.774 1.439 1.00 0.00 H new ATOM 0 HA VAL A 6 2.803 18.530 2.329 1.00 0.00 H new ATOM 0 HB VAL A 6 3.386 19.498 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.184 18.456 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.329 17.259 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.062 17.938 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.311 20.839 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.190 20.319 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.549 21.343 0.934 1.00 0.00 H new ATOM 47 N GLN A 7 5.625 18.057 0.723 1.00 0.00 N ATOM 48 CA GLN A 7 6.604 17.046 0.333 1.00 0.00 C ATOM 49 C GLN A 7 6.972 16.172 1.527 1.00 0.00 C ATOM 50 O GLN A 7 7.251 14.983 1.380 1.00 0.00 O ATOM 51 CB GLN A 7 7.871 17.709 -0.211 1.00 0.00 C ATOM 52 CG GLN A 7 7.692 18.015 -1.699 1.00 0.00 C ATOM 53 CD GLN A 7 8.528 19.234 -2.071 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.726 19.117 -2.329 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.962 20.409 -2.118 1.00 0.00 N ATOM 0 H GLN A 7 5.943 19.021 0.620 1.00 0.00 H new ATOM 0 HA GLN A 7 6.157 16.427 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.077 18.628 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.729 17.052 -0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.996 17.156 -2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.641 18.201 -1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.969 20.506 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.512 21.230 -2.369 1.00 0.00 H new ATOM 64 N ALA A 8 6.970 16.778 2.710 1.00 0.00 N ATOM 65 CA ALA A 8 7.305 16.047 3.930 1.00 0.00 C ATOM 66 C ALA A 8 6.155 15.130 4.333 1.00 0.00 C ATOM 67 O ALA A 8 6.354 13.950 4.619 1.00 0.00 O ATOM 68 CB ALA A 8 7.592 17.020 5.076 1.00 0.00 C ATOM 0 H ALA A 8 6.743 17.762 2.851 1.00 0.00 H new ATOM 0 HA ALA A 8 8.195 15.449 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.840 16.458 5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.431 17.662 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.710 17.633 5.262 1.00 0.00 H new ATOM 74 N GLU A 9 4.947 15.689 4.352 1.00 0.00 N ATOM 75 CA GLU A 9 3.766 14.913 4.721 1.00 0.00 C ATOM 76 C GLU A 9 3.553 13.768 3.738 1.00 0.00 C ATOM 77 O GLU A 9 3.204 12.652 4.124 1.00 0.00 O ATOM 78 CB GLU A 9 2.522 15.803 4.729 1.00 0.00 C ATOM 79 CG GLU A 9 1.538 15.296 5.786 1.00 0.00 C ATOM 80 CD GLU A 9 1.777 16.032 7.098 1.00 0.00 C ATOM 81 OE1 GLU A 9 1.913 17.245 7.059 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.819 15.373 8.125 1.00 0.00 O ATOM 0 H GLU A 9 4.761 16.665 4.119 1.00 0.00 H new ATOM 0 HA GLU A 9 3.928 14.508 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.801 16.835 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.051 15.797 3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.513 15.454 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.664 14.223 5.931 1.00 0.00 H new ATOM 89 N GLU A 10 3.768 14.058 2.457 1.00 0.00 N ATOM 90 CA GLU A 10 3.600 13.046 1.419 1.00 0.00 C ATOM 91 C GLU A 10 4.705 11.998 1.508 1.00 0.00 C ATOM 92 O GLU A 10 4.500 10.827 1.184 1.00 0.00 O ATOM 93 CB GLU A 10 3.636 13.691 0.032 1.00 0.00 C ATOM 94 CG GLU A 10 2.233 14.166 -0.348 1.00 0.00 C ATOM 95 CD GLU A 10 2.303 14.993 -1.627 1.00 0.00 C ATOM 96 OE1 GLU A 10 3.255 15.744 -1.772 1.00 0.00 O ATOM 97 OE2 GLU A 10 1.405 14.863 -2.443 1.00 0.00 O ATOM 0 H GLU A 10 4.056 14.975 2.116 1.00 0.00 H new ATOM 0 HA GLU A 10 2.633 12.567 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.329 14.532 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.000 12.975 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.575 13.309 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.808 14.762 0.460 1.00 0.00 H new ATOM 104 N GLN A 11 5.884 12.432 1.953 1.00 0.00 N ATOM 105 CA GLN A 11 7.021 11.523 2.081 1.00 0.00 C ATOM 106 C GLN A 11 6.702 10.402 3.066 1.00 0.00 C ATOM 107 O GLN A 11 7.180 9.276 2.922 1.00 0.00 O ATOM 108 CB GLN A 11 8.258 12.281 2.572 1.00 0.00 C ATOM 109 CG GLN A 11 9.484 11.369 2.490 1.00 0.00 C ATOM 110 CD GLN A 11 9.734 10.723 3.850 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.370 9.569 4.072 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.341 11.408 4.782 1.00 0.00 N ATOM 0 H GLN A 11 6.075 13.396 2.228 1.00 0.00 H new ATOM 0 HA GLN A 11 7.222 11.095 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.415 13.173 1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.109 12.615 3.599 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.327 10.600 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.358 11.944 2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.643 12.365 4.597 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.513 10.986 5.695 1.00 0.00 H new ATOM 121 N LYS A 12 5.890 10.724 4.069 1.00 0.00 N ATOM 122 CA LYS A 12 5.513 9.736 5.077 1.00 0.00 C ATOM 123 C LYS A 12 4.426 8.812 4.539 1.00 0.00 C ATOM 124 O LYS A 12 4.428 7.608 4.797 1.00 0.00 O ATOM 125 CB LYS A 12 4.996 10.431 6.339 1.00 0.00 C ATOM 126 CG LYS A 12 6.173 10.769 7.254 1.00 0.00 C ATOM 127 CD LYS A 12 5.687 10.850 8.703 1.00 0.00 C ATOM 128 CE LYS A 12 5.550 9.438 9.275 1.00 0.00 C ATOM 129 NZ LYS A 12 6.812 9.058 9.969 1.00 0.00 N ATOM 0 H LYS A 12 5.484 11.650 4.206 1.00 0.00 H new ATOM 0 HA LYS A 12 6.399 9.150 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.457 11.340 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.291 9.784 6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.949 10.009 7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.619 11.718 6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.390 11.430 9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.728 11.367 8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.713 9.396 9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.335 8.729 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.719 8.098 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.601 9.082 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.998 9.728 10.742 1.00 0.00 H new ATOM 143 N LEU A 13 3.493 9.388 3.785 1.00 0.00 N ATOM 144 CA LEU A 13 2.398 8.609 3.213 1.00 0.00 C ATOM 145 C LEU A 13 2.909 7.715 2.086 1.00 0.00 C ATOM 146 O LEU A 13 2.657 6.512 2.066 1.00 0.00 O ATOM 147 CB LEU A 13 1.312 9.535 2.662 1.00 0.00 C ATOM 148 CG LEU A 13 0.340 9.908 3.783 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.285 11.271 3.485 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.763 8.850 3.872 1.00 0.00 C ATOM 0 H LEU A 13 3.472 10.382 3.557 1.00 0.00 H new ATOM 0 HA LEU A 13 1.978 7.989 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.764 10.435 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.776 9.042 1.851 1.00 0.00 H new ATOM 0 HG LEU A 13 0.878 9.955 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.977 11.536 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.500 12.025 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.824 11.225 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.457 9.114 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.300 8.804 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.318 7.878 4.084 1.00 0.00 H new ATOM 162 N ILE A 14 3.629 8.323 1.147 1.00 0.00 N ATOM 163 CA ILE A 14 4.175 7.578 0.015 1.00 0.00 C ATOM 164 C ILE A 14 5.131 6.489 0.501 1.00 0.00 C ATOM 165 O ILE A 14 5.089 5.353 0.029 1.00 0.00 O ATOM 166 CB ILE A 14 4.922 8.524 -0.935 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.959 9.602 -1.437 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.474 7.743 -2.134 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.751 10.718 -2.121 1.00 0.00 C ATOM 0 H ILE A 14 3.847 9.319 1.146 1.00 0.00 H new ATOM 0 HA ILE A 14 3.345 7.113 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 14 5.750 8.985 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.244 9.168 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.385 10.008 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.002 8.425 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.162 6.975 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.651 7.274 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.064 11.485 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.448 11.159 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.306 10.306 -2.964 1.00 0.00 H new ATOM 181 N SER A 15 5.998 6.852 1.440 1.00 0.00 N ATOM 182 CA SER A 15 6.970 5.902 1.973 1.00 0.00 C ATOM 183 C SER A 15 6.266 4.686 2.576 1.00 0.00 C ATOM 184 O SER A 15 6.690 3.546 2.382 1.00 0.00 O ATOM 185 CB SER A 15 7.832 6.562 3.049 1.00 0.00 C ATOM 186 OG SER A 15 8.611 5.569 3.703 1.00 0.00 O ATOM 0 H SER A 15 6.049 7.787 1.845 1.00 0.00 H new ATOM 0 HA SER A 15 7.603 5.578 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.482 7.313 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.200 7.078 3.771 1.00 0.00 H new ATOM 0 HG SER A 15 9.166 5.990 4.392 1.00 0.00 H new ATOM 192 N GLU A 16 5.185 4.944 3.307 1.00 0.00 N ATOM 193 CA GLU A 16 4.427 3.863 3.931 1.00 0.00 C ATOM 194 C GLU A 16 3.710 3.037 2.868 1.00 0.00 C ATOM 195 O GLU A 16 3.777 1.807 2.863 1.00 0.00 O ATOM 196 CB GLU A 16 3.391 4.428 4.907 1.00 0.00 C ATOM 197 CG GLU A 16 3.036 3.364 5.946 1.00 0.00 C ATOM 198 CD GLU A 16 4.127 3.305 7.009 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.351 4.315 7.657 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.724 2.253 7.159 1.00 0.00 O ATOM 0 H GLU A 16 4.817 5.880 3.481 1.00 0.00 H new ATOM 0 HA GLU A 16 5.128 3.229 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.787 5.316 5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.496 4.736 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.077 3.597 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.930 2.392 5.465 1.00 0.00 H new ATOM 207 N GLU A 17 3.024 3.731 1.963 1.00 0.00 N ATOM 208 CA GLU A 17 2.295 3.058 0.892 1.00 0.00 C ATOM 209 C GLU A 17 3.257 2.270 0.010 1.00 0.00 C ATOM 210 O GLU A 17 2.948 1.167 -0.441 1.00 0.00 O ATOM 211 CB GLU A 17 1.549 4.077 0.028 1.00 0.00 C ATOM 212 CG GLU A 17 0.146 4.299 0.596 1.00 0.00 C ATOM 213 CD GLU A 17 0.165 5.492 1.544 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.044 6.600 1.076 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.386 5.282 2.725 1.00 0.00 O ATOM 0 H GLU A 17 2.958 4.749 1.949 1.00 0.00 H new ATOM 0 HA GLU A 17 1.577 2.377 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.096 5.019 0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.484 3.720 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.562 4.475 -0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.190 3.406 1.124 1.00 0.00 H new ATOM 222 N ASP A 18 4.432 2.850 -0.232 1.00 0.00 N ATOM 223 CA ASP A 18 5.446 2.200 -1.064 1.00 0.00 C ATOM 224 C ASP A 18 5.805 0.827 -0.502 1.00 0.00 C ATOM 225 O ASP A 18 5.993 -0.134 -1.248 1.00 0.00 O ATOM 226 CB ASP A 18 6.711 3.056 -1.132 1.00 0.00 C ATOM 227 CG ASP A 18 7.562 2.612 -2.317 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.009 2.459 -3.394 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.754 2.432 -2.130 1.00 0.00 O ATOM 0 H ASP A 18 4.705 3.762 0.133 1.00 0.00 H new ATOM 0 HA ASP A 18 5.031 2.083 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.446 4.108 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.279 2.959 -0.206 1.00 0.00 H new ATOM 234 N LEU A 19 5.891 0.746 0.822 1.00 0.00 N ATOM 235 CA LEU A 19 6.223 -0.517 1.476 1.00 0.00 C ATOM 236 C LEU A 19 5.139 -1.553 1.192 1.00 0.00 C ATOM 237 O LEU A 19 5.428 -2.705 0.866 1.00 0.00 O ATOM 238 CB LEU A 19 6.345 -0.322 2.989 1.00 0.00 C ATOM 239 CG LEU A 19 7.797 -0.001 3.347 1.00 0.00 C ATOM 240 CD1 LEU A 19 7.842 0.750 4.678 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.590 -1.305 3.471 1.00 0.00 C ATOM 0 H LEU A 19 5.738 1.529 1.458 1.00 0.00 H new ATOM 0 HA LEU A 19 7.177 -0.866 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.691 0.487 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.022 -1.223 3.510 1.00 0.00 H new ATOM 0 HG LEU A 19 8.235 0.620 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.877 0.978 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.277 1.678 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.404 0.130 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.625 -1.078 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.151 -1.925 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.559 -1.841 2.523 1.00 0.00 H new ATOM 253 N LEU A 20 3.887 -1.124 1.314 1.00 0.00 N ATOM 254 CA LEU A 20 2.759 -2.016 1.062 1.00 0.00 C ATOM 255 C LEU A 20 2.681 -2.368 -0.422 1.00 0.00 C ATOM 256 O LEU A 20 2.252 -3.461 -0.792 1.00 0.00 O ATOM 257 CB LEU A 20 1.446 -1.358 1.490 1.00 0.00 C ATOM 258 CG LEU A 20 1.155 -1.702 2.951 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.125 -0.721 3.512 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.600 -3.125 3.035 1.00 0.00 C ATOM 0 H LEU A 20 3.628 -0.175 1.583 1.00 0.00 H new ATOM 0 HA LEU A 20 2.912 -2.925 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.511 -0.277 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.630 -1.703 0.855 1.00 0.00 H new ATOM 0 HG LEU A 20 2.075 -1.633 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.082 -0.967 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.518 0.294 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.796 -0.790 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.391 -3.373 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.320 -3.191 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.333 -3.826 2.635 1.00 0.00 H new ATOM 272 N ARG A 21 3.104 -1.429 -1.267 1.00 0.00 N ATOM 273 CA ARG A 21 3.080 -1.651 -2.712 1.00 0.00 C ATOM 274 C ARG A 21 3.967 -2.836 -3.082 1.00 0.00 C ATOM 275 O ARG A 21 3.591 -3.684 -3.891 1.00 0.00 O ATOM 276 CB ARG A 21 3.578 -0.407 -3.456 1.00 0.00 C ATOM 277 CG ARG A 21 2.656 0.788 -3.161 1.00 0.00 C ATOM 278 CD ARG A 21 2.135 1.381 -4.473 1.00 0.00 C ATOM 279 NE ARG A 21 1.811 2.801 -4.303 1.00 0.00 N ATOM 280 CZ ARG A 21 1.213 3.514 -5.267 1.00 0.00 C ATOM 281 NH1 ARG A 21 0.891 2.970 -6.417 1.00 0.00 N ATOM 282 NH2 ARG A 21 0.946 4.774 -5.060 1.00 0.00 N ATOM 0 H ARG A 21 3.463 -0.518 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 21 2.050 -1.859 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.598 -0.174 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.604 -0.601 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.820 0.468 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.199 1.548 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.886 1.264 -5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.249 0.836 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 21 2.048 3.260 -3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.095 1.986 -6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.436 3.531 -7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.192 5.208 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.491 5.325 -5.788 1.00 0.00 H new ATOM 296 N LYS A 22 5.149 -2.885 -2.474 1.00 0.00 N ATOM 297 CA LYS A 22 6.087 -3.971 -2.740 1.00 0.00 C ATOM 298 C LYS A 22 5.502 -5.302 -2.280 1.00 0.00 C ATOM 299 O LYS A 22 5.673 -6.332 -2.931 1.00 0.00 O ATOM 300 CB LYS A 22 7.411 -3.728 -2.012 1.00 0.00 C ATOM 301 CG LYS A 22 8.330 -2.876 -2.891 1.00 0.00 C ATOM 302 CD LYS A 22 8.781 -3.697 -4.101 1.00 0.00 C ATOM 303 CE LYS A 22 10.142 -3.188 -4.582 1.00 0.00 C ATOM 304 NZ LYS A 22 10.546 -3.937 -5.808 1.00 0.00 N ATOM 0 H LYS A 22 5.478 -2.193 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 22 6.267 -4.005 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.229 -3.224 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.891 -4.679 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.806 -1.979 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.197 -2.546 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.848 -4.752 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.047 -3.617 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.089 -2.120 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.889 -3.319 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.471 -3.592 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.612 -4.951 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.837 -3.790 -6.554 1.00 0.00 H new ATOM 318 N ARG A 23 4.807 -5.266 -1.147 1.00 0.00 N ATOM 319 CA ARG A 23 4.196 -6.478 -0.603 1.00 0.00 C ATOM 320 C ARG A 23 3.096 -6.980 -1.532 1.00 0.00 C ATOM 321 O ARG A 23 2.979 -8.179 -1.789 1.00 0.00 O ATOM 322 CB ARG A 23 3.595 -6.201 0.776 1.00 0.00 C ATOM 323 CG ARG A 23 3.187 -7.523 1.431 1.00 0.00 C ATOM 324 CD ARG A 23 4.416 -8.183 2.057 1.00 0.00 C ATOM 325 NE ARG A 23 4.207 -9.625 2.213 1.00 0.00 N ATOM 326 CZ ARG A 23 5.187 -10.448 2.612 1.00 0.00 C ATOM 327 NH1 ARG A 23 6.387 -9.995 2.885 1.00 0.00 N ATOM 328 NH2 ARG A 23 4.942 -11.724 2.731 1.00 0.00 N ATOM 0 H ARG A 23 4.653 -4.424 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 23 4.973 -7.237 -0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.320 -5.681 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.728 -5.547 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.429 -7.344 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.743 -8.187 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.290 -8.003 1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.621 -7.733 3.028 1.00 0.00 H new ATOM 0 HE ARG A 23 3.286 -10.015 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.589 -8.999 2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.118 -10.638 3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.012 -12.086 2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.681 -12.359 3.034 1.00 0.00 H new ATOM 342 N ARG A 24 2.292 -6.048 -2.035 1.00 0.00 N ATOM 343 CA ARG A 24 1.200 -6.403 -2.939 1.00 0.00 C ATOM 344 C ARG A 24 1.747 -6.837 -4.295 1.00 0.00 C ATOM 345 O ARG A 24 1.151 -7.664 -4.984 1.00 0.00 O ATOM 346 CB ARG A 24 0.260 -5.212 -3.139 1.00 0.00 C ATOM 347 CG ARG A 24 -0.987 -5.669 -3.899 1.00 0.00 C ATOM 348 CD ARG A 24 -1.944 -4.489 -4.067 1.00 0.00 C ATOM 349 NE ARG A 24 -1.256 -3.350 -4.682 1.00 0.00 N ATOM 350 CZ ARG A 24 -0.939 -3.325 -5.984 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.234 -4.330 -6.775 1.00 0.00 N ATOM 352 NH2 ARG A 24 -0.326 -2.284 -6.473 1.00 0.00 N ATOM 0 H ARG A 24 2.373 -5.051 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 24 0.649 -7.229 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.023 -4.792 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.768 -4.423 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.706 -6.065 -4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.480 -6.476 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.791 -4.786 -4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.345 -4.198 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.010 -2.550 -4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.713 -5.149 -6.402 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.984 -4.292 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.092 -1.498 -5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.080 -2.255 -7.463 1.00 0.00 H new ATOM 366 N GLU A 25 2.890 -6.267 -4.674 1.00 0.00 N ATOM 367 CA GLU A 25 3.513 -6.600 -5.955 1.00 0.00 C ATOM 368 C GLU A 25 3.836 -8.090 -6.022 1.00 0.00 C ATOM 369 O GLU A 25 3.573 -8.752 -7.027 1.00 0.00 O ATOM 370 CB GLU A 25 4.803 -5.802 -6.146 1.00 0.00 C ATOM 371 CG GLU A 25 5.063 -5.600 -7.639 1.00 0.00 C ATOM 372 CD GLU A 25 4.164 -4.487 -8.166 1.00 0.00 C ATOM 373 OE1 GLU A 25 4.511 -3.332 -7.975 1.00 0.00 O ATOM 374 OE2 GLU A 25 3.142 -4.804 -8.753 1.00 0.00 O ATOM 0 H GLU A 25 3.399 -5.579 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 25 2.808 -6.346 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.723 -4.837 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.640 -6.329 -5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.110 -5.346 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.870 -6.526 -8.181 1.00 0.00 H new ATOM 381 N GLN A 26 4.405 -8.610 -4.939 1.00 0.00 N ATOM 382 CA GLN A 26 4.760 -10.025 -4.881 1.00 0.00 C ATOM 383 C GLN A 26 3.502 -10.887 -4.908 1.00 0.00 C ATOM 384 O GLN A 26 3.411 -11.856 -5.661 1.00 0.00 O ATOM 385 CB GLN A 26 5.547 -10.330 -3.605 1.00 0.00 C ATOM 386 CG GLN A 26 6.935 -9.693 -3.697 1.00 0.00 C ATOM 387 CD GLN A 26 7.887 -10.646 -4.411 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.148 -11.749 -3.930 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.428 -10.283 -5.542 1.00 0.00 N ATOM 0 H GLN A 26 4.629 -8.080 -4.097 1.00 0.00 H new ATOM 0 HA GLN A 26 5.379 -10.254 -5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.015 -9.944 -2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.638 -11.408 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.878 -8.748 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.310 -9.468 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.212 -9.369 -5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.067 -10.913 -6.027 1.00 0.00 H new ATOM 398 N LEU A 27 2.531 -10.521 -4.076 1.00 0.00 N ATOM 399 CA LEU A 27 1.276 -11.265 -4.008 1.00 0.00 C ATOM 400 C LEU A 27 0.546 -11.193 -5.346 1.00 0.00 C ATOM 401 O LEU A 27 0.005 -12.186 -5.829 1.00 0.00 O ATOM 402 CB LEU A 27 0.371 -10.693 -2.915 1.00 0.00 C ATOM 403 CG LEU A 27 1.106 -10.727 -1.574 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.507 -9.678 -0.635 1.00 0.00 C ATOM 405 CD2 LEU A 27 0.954 -12.115 -0.947 1.00 0.00 C ATOM 0 H LEU A 27 2.587 -9.722 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 27 1.511 -12.303 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.088 -9.669 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.551 -11.272 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 27 2.162 -10.511 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.031 -9.703 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.612 -8.689 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.549 -9.894 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.477 -12.142 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.103 -12.329 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.380 -12.864 -1.614 1.00 0.00 H new ATOM 417 N LYS A 28 0.539 -10.002 -5.937 1.00 0.00 N ATOM 418 CA LYS A 28 -0.126 -9.802 -7.222 1.00 0.00 C ATOM 419 C LYS A 28 0.657 -10.480 -8.342 1.00 0.00 C ATOM 420 O LYS A 28 0.085 -10.919 -9.339 1.00 0.00 O ATOM 421 CB LYS A 28 -0.251 -8.310 -7.533 1.00 0.00 C ATOM 422 CG LYS A 28 -1.448 -8.080 -8.458 1.00 0.00 C ATOM 423 CD LYS A 28 -2.725 -7.967 -7.623 1.00 0.00 C ATOM 424 CE LYS A 28 -3.943 -8.210 -8.516 1.00 0.00 C ATOM 425 NZ LYS A 28 -5.178 -8.211 -7.682 1.00 0.00 N ATOM 0 H LYS A 28 0.981 -9.168 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.120 -10.244 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.377 -7.745 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.662 -7.948 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.301 -7.171 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.536 -8.903 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.706 -8.693 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.787 -6.979 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.008 -7.435 -9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.842 -9.163 -9.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.006 -8.376 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.115 -8.966 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.276 -7.292 -7.205 1.00 0.00 H new ATOM 439 N HIS A 29 1.975 -10.559 -8.170 1.00 0.00 N ATOM 440 CA HIS A 29 2.831 -11.185 -9.177 1.00 0.00 C ATOM 441 C HIS A 29 2.450 -12.651 -9.364 1.00 0.00 C ATOM 442 O HIS A 29 2.574 -13.204 -10.459 1.00 0.00 O ATOM 443 CB HIS A 29 4.299 -11.103 -8.758 1.00 0.00 C ATOM 444 CG HIS A 29 4.909 -9.838 -9.298 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.697 -9.415 -10.602 1.00 0.00 N ATOM 446 CD2 HIS A 29 5.726 -8.895 -8.726 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.374 -8.264 -10.769 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.018 -7.903 -9.657 1.00 0.00 N ATOM 0 H HIS A 29 2.470 -10.202 -7.353 1.00 0.00 H new ATOM 0 HA HIS A 29 2.691 -10.650 -10.116 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.379 -11.122 -7.671 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.843 -11.970 -9.133 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.087 -8.919 -7.708 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.394 -7.701 -11.690 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.600 -7.077 -9.519 1.00 0.00 H new ATOM 456 N LYS A 30 1.987 -13.276 -8.286 1.00 0.00 N ATOM 457 CA LYS A 30 1.592 -14.682 -8.342 1.00 0.00 C ATOM 458 C LYS A 30 0.101 -14.808 -8.635 1.00 0.00 C ATOM 459 O LYS A 30 -0.333 -15.717 -9.344 1.00 0.00 O ATOM 460 CB LYS A 30 1.899 -15.378 -7.014 1.00 0.00 C ATOM 461 CG LYS A 30 3.390 -15.242 -6.699 1.00 0.00 C ATOM 462 CD LYS A 30 3.874 -16.493 -5.963 1.00 0.00 C ATOM 463 CE LYS A 30 4.449 -17.490 -6.971 1.00 0.00 C ATOM 464 NZ LYS A 30 3.360 -18.374 -7.472 1.00 0.00 N ATOM 0 H LYS A 30 1.876 -12.838 -7.371 1.00 0.00 H new ATOM 0 HA LYS A 30 2.160 -15.158 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.306 -14.936 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.623 -16.431 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.956 -15.108 -7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.564 -14.357 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.633 -16.224 -5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.048 -16.948 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.911 -16.957 -7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.230 -18.088 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.774 -19.224 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.747 -18.652 -6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.797 -17.863 -8.182 1.00 0.00 H new ATOM 478 N LEU A 31 -0.680 -13.885 -8.081 1.00 0.00 N ATOM 479 CA LEU A 31 -2.126 -13.901 -8.286 1.00 0.00 C ATOM 480 C LEU A 31 -2.464 -13.491 -9.719 1.00 0.00 C ATOM 481 O LEU A 31 -3.439 -13.965 -10.302 1.00 0.00 O ATOM 482 CB LEU A 31 -2.817 -12.938 -7.300 1.00 0.00 C ATOM 483 CG LEU A 31 -3.788 -13.707 -6.387 1.00 0.00 C ATOM 484 CD1 LEU A 31 -4.863 -14.397 -7.233 1.00 0.00 C ATOM 485 CD2 LEU A 31 -3.019 -14.760 -5.583 1.00 0.00 C ATOM 0 H LEU A 31 -0.341 -13.124 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.486 -14.915 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.067 -12.427 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.359 -12.170 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.263 -13.004 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.547 -14.940 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.418 -13.648 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.390 -15.095 -7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.711 -15.302 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.537 -15.459 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.262 -14.269 -4.972 1.00 0.00 H new ATOM 497 N GLU A 32 -1.646 -12.605 -10.277 1.00 0.00 N ATOM 498 CA GLU A 32 -1.864 -12.134 -11.643 1.00 0.00 C ATOM 499 C GLU A 32 -1.524 -13.232 -12.647 1.00 0.00 C ATOM 500 O GLU A 32 -2.353 -13.619 -13.469 1.00 0.00 O ATOM 501 CB GLU A 32 -0.997 -10.907 -11.931 1.00 0.00 C ATOM 502 CG GLU A 32 -1.450 -10.259 -13.242 1.00 0.00 C ATOM 503 CD GLU A 32 -2.731 -9.467 -13.002 1.00 0.00 C ATOM 504 OE1 GLU A 32 -2.647 -8.415 -12.389 1.00 0.00 O ATOM 505 OE2 GLU A 32 -3.775 -9.924 -13.435 1.00 0.00 O ATOM 0 H GLU A 32 -0.833 -12.201 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.916 -11.865 -11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.077 -10.192 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.051 -11.197 -11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.669 -9.601 -13.624 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.620 -11.025 -13.999 1.00 0.00 H new ATOM 512 N GLN A 33 -0.291 -13.726 -12.571 1.00 0.00 N ATOM 513 CA GLN A 33 0.153 -14.779 -13.480 1.00 0.00 C ATOM 514 C GLN A 33 -0.683 -16.039 -13.283 1.00 0.00 C ATOM 515 O GLN A 33 -1.428 -16.452 -14.173 1.00 0.00 O ATOM 516 CB GLN A 33 1.626 -15.115 -13.233 1.00 0.00 C ATOM 517 CG GLN A 33 2.283 -15.531 -14.550 1.00 0.00 C ATOM 518 CD GLN A 33 3.533 -16.354 -14.260 1.00 0.00 C ATOM 519 OE1 GLN A 33 3.648 -16.969 -13.199 1.00 0.00 O ATOM 520 NE2 GLN A 33 4.487 -16.404 -15.148 1.00 0.00 N ATOM 0 H GLN A 33 0.411 -13.419 -11.898 1.00 0.00 H new ATOM 0 HA GLN A 33 0.030 -14.416 -14.500 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.142 -14.251 -12.814 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.709 -15.920 -12.503 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.583 -16.113 -15.149 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.544 -14.648 -15.133 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.393 -15.895 -16.027 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.327 -16.952 -14.964 1.00 0.00 H new ATOM 529 N LEU A 34 -0.552 -16.646 -12.106 1.00 0.00 N ATOM 530 CA LEU A 34 -1.301 -17.861 -11.799 1.00 0.00 C ATOM 531 C LEU A 34 -2.675 -17.509 -11.235 1.00 0.00 C ATOM 532 O LEU A 34 -2.916 -16.377 -10.820 1.00 0.00 O ATOM 533 CB LEU A 34 -0.544 -18.714 -10.773 1.00 0.00 C ATOM 534 CG LEU A 34 0.554 -19.541 -11.461 1.00 0.00 C ATOM 535 CD1 LEU A 34 -0.072 -20.497 -12.479 1.00 0.00 C ATOM 536 CD2 LEU A 34 1.541 -18.609 -12.177 1.00 0.00 C ATOM 0 H LEU A 34 0.059 -16.321 -11.357 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.420 -18.427 -12.723 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.100 -18.070 -10.014 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.240 -19.378 -10.260 1.00 0.00 H new ATOM 0 HG LEU A 34 1.086 -20.117 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.713 -21.079 -12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.762 -21.170 -11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.614 -19.924 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.316 -19.203 -12.662 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.010 -18.024 -12.927 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.000 -17.938 -11.451 1.00 0.00 H new HETATM 548 N NH2 A 35 -3.602 -18.427 -11.197 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 1.200 24.532 -8.245 1.00 0.00 C HETATM 553 O ACE B 2 2.389 24.342 -8.498 1.00 0.00 O HETATM 554 CH3 ACE B 2 0.349 25.458 -9.106 1.00 0.00 C HETATM 0 H1 ACE B 2 -0.481 24.896 -9.534 1.00 0.00 H new HETATM 0 H2 ACE B 2 -0.040 26.270 -8.492 1.00 0.00 H new HETATM 0 H3 ACE B 2 0.959 25.871 -9.909 1.00 0.00 H new ATOM 558 N CYS B 3 0.575 23.957 -7.220 1.00 0.00 N ATOM 559 CA CYS B 3 1.281 23.049 -6.323 1.00 0.00 C ATOM 560 C CYS B 3 1.229 21.621 -6.858 1.00 0.00 C ATOM 561 O CYS B 3 2.256 21.029 -7.193 1.00 0.00 O ATOM 562 CB CYS B 3 0.656 23.079 -4.927 1.00 0.00 C ATOM 563 SG CYS B 3 0.716 24.767 -4.276 1.00 0.00 S ATOM 0 H CYS B 3 -0.409 24.102 -6.992 1.00 0.00 H new ATOM 0 HA CYS B 3 2.318 23.378 -6.264 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -0.376 22.731 -4.971 1.00 0.00 H new ATOM 0 HB3 CYS B 3 1.192 22.402 -4.262 1.00 0.00 H new ATOM 568 N GLY B 4 0.018 21.076 -6.938 1.00 0.00 N ATOM 569 CA GLY B 4 -0.163 19.715 -7.436 1.00 0.00 C ATOM 570 C GLY B 4 -1.259 18.995 -6.660 1.00 0.00 C ATOM 571 O GLY B 4 -1.955 19.594 -5.838 1.00 0.00 O ATOM 0 H GLY B 4 -0.844 21.549 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -0.419 19.742 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY B 4 0.773 19.164 -7.348 1.00 0.00 H new ATOM 575 N GLY B 5 -1.408 17.702 -6.930 1.00 0.00 N ATOM 576 CA GLY B 5 -2.427 16.904 -6.253 1.00 0.00 C ATOM 577 C GLY B 5 -2.053 16.675 -4.793 1.00 0.00 C ATOM 578 O GLY B 5 -1.541 15.616 -4.426 1.00 0.00 O ATOM 0 H GLY B 5 -0.843 17.188 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -3.390 17.411 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -2.540 15.945 -6.759 1.00 0.00 H new ATOM 582 N MET B 6 -2.315 17.681 -3.963 1.00 0.00 N ATOM 583 CA MET B 6 -2.002 17.582 -2.539 1.00 0.00 C ATOM 584 C MET B 6 -3.113 16.846 -1.800 1.00 0.00 C ATOM 585 O MET B 6 -2.856 16.033 -0.912 1.00 0.00 O ATOM 586 CB MET B 6 -1.834 18.977 -1.931 1.00 0.00 C ATOM 587 CG MET B 6 -1.298 18.850 -0.503 1.00 0.00 C ATOM 588 SD MET B 6 -2.677 18.804 0.667 1.00 0.00 S ATOM 589 CE MET B 6 -2.848 20.592 0.889 1.00 0.00 C ATOM 0 H MET B 6 -2.738 18.565 -4.246 1.00 0.00 H new ATOM 0 HA MET B 6 -1.069 17.027 -2.436 1.00 0.00 H new ATOM 0 HB2 MET B 6 -1.148 19.569 -2.537 1.00 0.00 H new ATOM 0 HB3 MET B 6 -2.790 19.501 -1.927 1.00 0.00 H new ATOM 0 HG2 MET B 6 -0.699 17.944 -0.409 1.00 0.00 H new ATOM 0 HG3 MET B 6 -0.643 19.691 -0.274 1.00 0.00 H new ATOM 0 HE1 MET B 6 -3.660 20.796 1.587 1.00 0.00 H new ATOM 0 HE2 MET B 6 -1.918 21.000 1.284 1.00 0.00 H new ATOM 0 HE3 MET B 6 -3.070 21.058 -0.071 1.00 0.00 H new ATOM 599 N ARG B 7 -4.355 17.141 -2.176 1.00 0.00 N ATOM 600 CA ARG B 7 -5.506 16.501 -1.542 1.00 0.00 C ATOM 601 C ARG B 7 -5.890 15.230 -2.296 1.00 0.00 C ATOM 602 O ARG B 7 -6.368 14.262 -1.705 1.00 0.00 O ATOM 603 CB ARG B 7 -6.704 17.457 -1.524 1.00 0.00 C ATOM 604 CG ARG B 7 -6.744 18.209 -0.192 1.00 0.00 C ATOM 605 CD ARG B 7 -7.180 17.262 0.932 1.00 0.00 C ATOM 606 NE ARG B 7 -8.643 17.154 0.986 1.00 0.00 N ATOM 607 CZ ARG B 7 -9.322 16.181 0.357 1.00 0.00 C ATOM 608 NH1 ARG B 7 -8.713 15.276 -0.372 1.00 0.00 N ATOM 609 NH2 ARG B 7 -10.621 16.140 0.468 1.00 0.00 N ATOM 0 H ARG B 7 -4.590 17.811 -2.908 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.232 16.245 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.629 18.164 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.629 16.899 -1.665 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -5.761 18.623 0.031 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -7.435 19.049 -0.260 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -6.744 16.276 0.772 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -6.802 17.626 1.887 1.00 0.00 H new ATOM 0 HE ARG B 7 -9.165 17.846 1.523 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -7.698 15.300 -0.472 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -9.254 14.548 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -11.107 16.841 1.027 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -11.150 15.407 -0.004 1.00 0.00 H new ATOM 623 N ARG B 8 -5.676 15.248 -3.609 1.00 0.00 N ATOM 624 CA ARG B 8 -6.005 14.092 -4.439 1.00 0.00 C ATOM 625 C ARG B 8 -5.062 12.931 -4.138 1.00 0.00 C ATOM 626 O ARG B 8 -5.471 11.770 -4.116 1.00 0.00 O ATOM 627 CB ARG B 8 -5.897 14.452 -5.924 1.00 0.00 C ATOM 628 CG ARG B 8 -6.954 13.680 -6.716 1.00 0.00 C ATOM 629 CD ARG B 8 -8.216 14.535 -6.850 1.00 0.00 C ATOM 630 NE ARG B 8 -9.183 13.891 -7.744 1.00 0.00 N ATOM 631 CZ ARG B 8 -10.252 14.544 -8.223 1.00 0.00 C ATOM 632 NH1 ARG B 8 -10.480 15.797 -7.914 1.00 0.00 N ATOM 633 NH2 ARG B 8 -11.080 13.918 -9.015 1.00 0.00 N ATOM 0 H ARG B 8 -5.281 16.040 -4.117 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.028 13.795 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.037 15.524 -6.060 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.901 14.211 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -6.569 13.424 -7.703 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -7.189 12.742 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.665 14.687 -5.868 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.955 15.520 -7.237 1.00 0.00 H new ATOM 0 HE ARG B 8 -9.038 12.917 -8.010 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.838 16.295 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -11.299 16.274 -8.290 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -10.910 12.943 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -11.897 14.404 -9.386 1.00 0.00 H new ATOM 647 N LYS B 9 -3.793 13.258 -3.907 1.00 0.00 N ATOM 648 CA LYS B 9 -2.797 12.232 -3.610 1.00 0.00 C ATOM 649 C LYS B 9 -2.890 11.803 -2.149 1.00 0.00 C ATOM 650 O LYS B 9 -2.860 10.612 -1.833 1.00 0.00 O ATOM 651 CB LYS B 9 -1.387 12.758 -3.887 1.00 0.00 C ATOM 652 CG LYS B 9 -0.445 11.579 -4.145 1.00 0.00 C ATOM 653 CD LYS B 9 -0.391 11.287 -5.645 1.00 0.00 C ATOM 654 CE LYS B 9 -0.185 9.788 -5.867 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.365 9.469 -7.311 1.00 0.00 N ATOM 0 H LYS B 9 -3.433 14.212 -3.919 1.00 0.00 H new ATOM 0 HA LYS B 9 -2.997 11.375 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.399 13.424 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.032 13.342 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS B 9 0.553 11.809 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.792 10.698 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.315 11.612 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.421 11.849 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.813 9.495 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.896 9.220 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.225 8.450 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -1.326 9.734 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.330 10.001 -7.873 1.00 0.00 H new ATOM 669 N ASN B 10 -3.002 12.786 -1.260 1.00 0.00 N ATOM 670 CA ASN B 10 -3.097 12.500 0.170 1.00 0.00 C ATOM 671 C ASN B 10 -4.340 11.668 0.468 1.00 0.00 C ATOM 672 O ASN B 10 -4.297 10.719 1.251 1.00 0.00 O ATOM 673 CB ASN B 10 -3.162 13.800 0.974 1.00 0.00 C ATOM 674 CG ASN B 10 -1.759 14.377 1.125 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.768 13.647 1.054 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.611 15.657 1.333 1.00 0.00 N ATOM 0 H ASN B 10 -3.029 13.777 -1.500 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.208 11.939 0.459 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.810 14.518 0.472 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.596 13.611 1.956 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.676 16.052 1.437 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.430 16.262 1.392 1.00 0.00 H new ATOM 683 N ASP B 11 -5.450 12.033 -0.168 1.00 0.00 N ATOM 684 CA ASP B 11 -6.704 11.312 0.035 1.00 0.00 C ATOM 685 C ASP B 11 -6.561 9.864 -0.422 1.00 0.00 C ATOM 686 O ASP B 11 -6.955 8.933 0.280 1.00 0.00 O ATOM 687 CB ASP B 11 -7.837 11.975 -0.753 1.00 0.00 C ATOM 688 CG ASP B 11 -9.169 11.352 -0.349 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.302 10.148 -0.486 1.00 0.00 O ATOM 690 OD2 ASP B 11 -10.036 12.090 0.090 1.00 0.00 O ATOM 0 H ASP B 11 -5.508 12.814 -0.821 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.941 11.337 1.099 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.851 13.047 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.673 11.848 -1.823 1.00 0.00 H new ATOM 695 N THR B 12 -5.989 9.686 -1.609 1.00 0.00 N ATOM 696 CA THR B 12 -5.793 8.348 -2.158 1.00 0.00 C ATOM 697 C THR B 12 -4.756 7.582 -1.340 1.00 0.00 C ATOM 698 O THR B 12 -4.818 6.357 -1.225 1.00 0.00 O ATOM 699 CB THR B 12 -5.319 8.429 -3.611 1.00 0.00 C ATOM 700 OG1 THR B 12 -6.164 9.313 -4.334 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.372 7.038 -4.246 1.00 0.00 C ATOM 0 H THR B 12 -5.656 10.444 -2.205 1.00 0.00 H new ATOM 0 HA THR B 12 -6.748 7.825 -2.116 1.00 0.00 H new ATOM 0 HB THR B 12 -4.294 8.800 -3.639 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.716 10.178 -4.442 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.034 7.097 -5.281 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.724 6.360 -3.691 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.396 6.665 -4.219 1.00 0.00 H new ATOM 709 N HIS B 13 -3.801 8.317 -0.771 1.00 0.00 N ATOM 710 CA HIS B 13 -2.751 7.699 0.035 1.00 0.00 C ATOM 711 C HIS B 13 -3.355 6.952 1.221 1.00 0.00 C ATOM 712 O HIS B 13 -2.864 5.897 1.626 1.00 0.00 O ATOM 713 CB HIS B 13 -1.785 8.763 0.558 1.00 0.00 C ATOM 714 CG HIS B 13 -0.732 9.040 -0.481 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.013 8.026 -1.093 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.267 10.211 -1.025 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.838 8.601 -1.963 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.725 9.932 -1.960 1.00 0.00 N ATOM 0 H HIS B 13 -3.733 9.331 -0.852 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.211 6.996 -0.599 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.328 9.678 0.793 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.318 8.423 1.482 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.111 7.026 -0.916 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.618 11.199 -0.767 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.528 8.053 -2.587 1.00 0.00 H new ATOM 726 N GLN B 14 -4.426 7.513 1.773 1.00 0.00 N ATOM 727 CA GLN B 14 -5.096 6.896 2.915 1.00 0.00 C ATOM 728 C GLN B 14 -5.883 5.667 2.473 1.00 0.00 C ATOM 729 O GLN B 14 -5.722 4.575 3.021 1.00 0.00 O ATOM 730 CB GLN B 14 -6.052 7.890 3.575 1.00 0.00 C ATOM 731 CG GLN B 14 -6.436 7.382 4.967 1.00 0.00 C ATOM 732 CD GLN B 14 -7.033 8.527 5.779 1.00 0.00 C ATOM 733 OE1 GLN B 14 -7.844 9.300 5.271 1.00 0.00 O ATOM 734 NE2 GLN B 14 -6.674 8.682 7.025 1.00 0.00 N ATOM 0 H GLN B 14 -4.846 8.385 1.453 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.331 6.597 3.632 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.580 8.869 3.651 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.945 8.014 2.962 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -7.156 6.568 4.883 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.559 6.981 5.474 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.002 8.041 7.446 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.066 9.444 7.578 1.00 0.00 H new ATOM 743 N GLN B 15 -6.739 5.856 1.470 1.00 0.00 N ATOM 744 CA GLN B 15 -7.552 4.756 0.956 1.00 0.00 C ATOM 745 C GLN B 15 -6.662 3.651 0.397 1.00 0.00 C ATOM 746 O GLN B 15 -6.989 2.467 0.485 1.00 0.00 O ATOM 747 CB GLN B 15 -8.487 5.252 -0.150 1.00 0.00 C ATOM 748 CG GLN B 15 -9.647 6.030 0.473 1.00 0.00 C ATOM 749 CD GLN B 15 -10.492 6.656 -0.629 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.691 7.870 -0.657 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.008 5.890 -1.553 1.00 0.00 N ATOM 0 H GLN B 15 -6.887 6.750 1.002 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.145 4.362 1.782 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.940 5.889 -0.845 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.868 4.408 -0.724 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -10.260 5.364 1.081 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.264 6.805 1.136 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.844 4.884 -1.531 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.575 6.298 -2.296 1.00 0.00 H new ATOM 760 N ASP B 16 -5.531 4.051 -0.179 1.00 0.00 N ATOM 761 CA ASP B 16 -4.595 3.084 -0.748 1.00 0.00 C ATOM 762 C ASP B 16 -4.066 2.155 0.340 1.00 0.00 C ATOM 763 O ASP B 16 -3.946 0.947 0.141 1.00 0.00 O ATOM 764 CB ASP B 16 -3.414 3.804 -1.406 1.00 0.00 C ATOM 765 CG ASP B 16 -2.570 2.796 -2.178 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.140 2.052 -2.959 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.367 2.784 -1.977 1.00 0.00 O ATOM 0 H ASP B 16 -5.242 5.026 -0.264 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.128 2.501 -1.499 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.777 4.581 -2.079 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.807 4.297 -0.647 1.00 0.00 H new ATOM 772 N ILE B 17 -3.758 2.737 1.496 1.00 0.00 N ATOM 773 CA ILE B 17 -3.245 1.958 2.622 1.00 0.00 C ATOM 774 C ILE B 17 -4.262 0.897 3.038 1.00 0.00 C ATOM 775 O ILE B 17 -4.073 -0.298 2.803 1.00 0.00 O ATOM 776 CB ILE B 17 -2.941 2.899 3.819 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.579 3.580 3.604 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.928 2.133 5.160 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.458 2.533 3.546 1.00 0.00 C ATOM 0 H ILE B 17 -3.853 3.736 1.678 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.325 1.460 2.316 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.733 3.647 3.867 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.596 4.155 2.678 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.386 4.284 4.414 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.712 2.826 5.973 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.902 1.672 5.325 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.161 1.359 5.130 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.499 3.032 3.393 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -0.431 1.976 4.483 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.644 1.846 2.721 1.00 0.00 H new ATOM 791 N ASP B 18 -5.329 1.354 3.691 1.00 0.00 N ATOM 792 CA ASP B 18 -6.373 0.456 4.185 1.00 0.00 C ATOM 793 C ASP B 18 -6.784 -0.573 3.124 1.00 0.00 C ATOM 794 O ASP B 18 -7.189 -1.688 3.447 1.00 0.00 O ATOM 795 CB ASP B 18 -7.606 1.264 4.606 1.00 0.00 C ATOM 796 CG ASP B 18 -7.545 1.550 6.103 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.607 2.210 6.522 1.00 0.00 O ATOM 798 OD2 ASP B 18 -8.436 1.107 6.808 1.00 0.00 O ATOM 0 H ASP B 18 -5.494 2.341 3.891 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.965 -0.078 5.043 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.648 2.200 4.048 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.514 0.710 4.368 1.00 0.00 H new ATOM 803 N ASP B 19 -6.665 -0.181 1.858 1.00 0.00 N ATOM 804 CA ASP B 19 -7.019 -1.075 0.759 1.00 0.00 C ATOM 805 C ASP B 19 -5.916 -2.107 0.542 1.00 0.00 C ATOM 806 O ASP B 19 -6.183 -3.274 0.258 1.00 0.00 O ATOM 807 CB ASP B 19 -7.223 -0.282 -0.533 1.00 0.00 C ATOM 808 CG ASP B 19 -7.867 -1.179 -1.584 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.233 -2.144 -1.980 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.985 -0.888 -1.978 1.00 0.00 O ATOM 0 H ASP B 19 -6.330 0.738 1.570 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.948 -1.582 1.021 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.855 0.586 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.266 0.093 -0.897 1.00 0.00 H new ATOM 815 N LEU B 20 -4.669 -1.661 0.682 1.00 0.00 N ATOM 816 CA LEU B 20 -3.525 -2.550 0.504 1.00 0.00 C ATOM 817 C LEU B 20 -3.525 -3.637 1.572 1.00 0.00 C ATOM 818 O LEU B 20 -3.283 -4.809 1.289 1.00 0.00 O ATOM 819 CB LEU B 20 -2.215 -1.764 0.600 1.00 0.00 C ATOM 820 CG LEU B 20 -1.984 -0.990 -0.699 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.051 0.193 -0.431 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.346 -1.916 -1.737 1.00 0.00 C ATOM 0 H LEU B 20 -4.427 -0.698 0.916 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.605 -3.006 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.254 -1.075 1.444 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.383 -2.445 0.782 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.938 -0.622 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.887 0.744 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.504 0.853 0.309 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.097 -0.174 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.181 -1.365 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.392 -2.284 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.010 -2.759 -1.929 1.00 0.00 H new ATOM 834 N LYS B 21 -3.800 -3.230 2.808 1.00 0.00 N ATOM 835 CA LYS B 21 -3.828 -4.173 3.925 1.00 0.00 C ATOM 836 C LYS B 21 -4.900 -5.237 3.704 1.00 0.00 C ATOM 837 O LYS B 21 -4.651 -6.432 3.865 1.00 0.00 O ATOM 838 CB LYS B 21 -4.119 -3.437 5.234 1.00 0.00 C ATOM 839 CG LYS B 21 -2.893 -2.618 5.642 1.00 0.00 C ATOM 840 CD LYS B 21 -2.906 -2.397 7.157 1.00 0.00 C ATOM 841 CE LYS B 21 -2.075 -3.487 7.838 1.00 0.00 C ATOM 842 NZ LYS B 21 -2.250 -3.394 9.315 1.00 0.00 N ATOM 0 H LYS B 21 -4.005 -2.264 3.062 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.851 -4.653 3.984 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.982 -2.783 5.112 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.369 -4.152 6.018 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.981 -3.138 5.348 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.895 -1.659 5.124 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.501 -1.414 7.395 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.930 -2.419 7.530 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -2.386 -4.470 7.485 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.023 -3.373 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -1.686 -4.134 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -1.933 -2.460 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -3.254 -3.523 9.554 1.00 0.00 H new ATOM 856 N ARG B 22 -6.095 -4.787 3.334 1.00 0.00 N ATOM 857 CA ARG B 22 -7.205 -5.707 3.094 1.00 0.00 C ATOM 858 C ARG B 22 -6.873 -6.662 1.952 1.00 0.00 C ATOM 859 O ARG B 22 -7.134 -7.864 2.032 1.00 0.00 O ATOM 860 CB ARG B 22 -8.476 -4.933 2.743 1.00 0.00 C ATOM 861 CG ARG B 22 -9.694 -5.843 2.917 1.00 0.00 C ATOM 862 CD ARG B 22 -10.752 -5.487 1.872 1.00 0.00 C ATOM 863 NE ARG B 22 -11.541 -4.332 2.309 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.511 -4.438 3.229 1.00 0.00 C ATOM 865 NH1 ARG B 22 -12.799 -5.591 3.785 1.00 0.00 N ATOM 866 NH2 ARG B 22 -13.183 -3.374 3.577 1.00 0.00 N ATOM 0 H ARG B 22 -6.320 -3.802 3.195 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.369 -6.279 4.007 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.569 -4.057 3.384 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.422 -4.572 1.716 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.399 -6.887 2.810 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.106 -5.729 3.920 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.270 -5.266 0.920 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -11.409 -6.341 1.706 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.346 -3.418 1.900 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.281 -6.429 3.519 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -13.541 -5.650 4.483 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.968 -2.473 3.150 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.923 -3.444 4.276 1.00 0.00 H new ATOM 880 N GLN B 23 -6.301 -6.115 0.883 1.00 0.00 N ATOM 881 CA GLN B 23 -5.941 -6.926 -0.277 1.00 0.00 C ATOM 882 C GLN B 23 -4.774 -7.852 0.057 1.00 0.00 C ATOM 883 O GLN B 23 -4.841 -9.062 -0.163 1.00 0.00 O ATOM 884 CB GLN B 23 -5.546 -6.032 -1.454 1.00 0.00 C ATOM 885 CG GLN B 23 -6.784 -5.727 -2.300 1.00 0.00 C ATOM 886 CD GLN B 23 -7.204 -6.983 -3.057 1.00 0.00 C ATOM 887 OE1 GLN B 23 -7.915 -7.830 -2.517 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.803 -7.154 -4.287 1.00 0.00 N ATOM 0 H GLN B 23 -6.078 -5.123 0.795 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.811 -7.524 -0.550 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.105 -5.105 -1.088 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.789 -6.527 -2.063 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.599 -5.385 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.569 -4.921 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.214 -6.451 -4.734 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.079 -7.990 -4.802 1.00 0.00 H new ATOM 897 N ASN B 24 -3.704 -7.269 0.588 1.00 0.00 N ATOM 898 CA ASN B 24 -2.522 -8.049 0.947 1.00 0.00 C ATOM 899 C ASN B 24 -2.868 -9.089 2.008 1.00 0.00 C ATOM 900 O ASN B 24 -2.285 -10.173 2.048 1.00 0.00 O ATOM 901 CB ASN B 24 -1.420 -7.134 1.487 1.00 0.00 C ATOM 902 CG ASN B 24 -1.030 -6.115 0.420 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.788 -5.859 -0.516 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.122 -5.506 0.508 1.00 0.00 N ATOM 0 H ASN B 24 -3.629 -6.270 0.778 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.168 -8.553 0.048 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.767 -6.621 2.384 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.551 -7.726 1.774 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.392 -4.820 -0.197 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.752 -5.716 1.282 1.00 0.00 H new ATOM 911 N ALA B 25 -3.822 -8.747 2.869 1.00 0.00 N ATOM 912 CA ALA B 25 -4.239 -9.658 3.932 1.00 0.00 C ATOM 913 C ALA B 25 -4.887 -10.906 3.341 1.00 0.00 C ATOM 914 O ALA B 25 -4.448 -12.029 3.590 1.00 0.00 O ATOM 915 CB ALA B 25 -5.240 -8.971 4.864 1.00 0.00 C ATOM 0 H ALA B 25 -4.317 -7.855 2.853 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.352 -9.942 4.498 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.540 -9.664 5.650 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.776 -8.093 5.312 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.118 -8.667 4.294 1.00 0.00 H new ATOM 921 N LEU B 26 -5.939 -10.696 2.554 1.00 0.00 N ATOM 922 CA LEU B 26 -6.646 -11.811 1.928 1.00 0.00 C ATOM 923 C LEU B 26 -5.774 -12.471 0.860 1.00 0.00 C ATOM 924 O LEU B 26 -5.893 -13.667 0.596 1.00 0.00 O ATOM 925 CB LEU B 26 -7.955 -11.318 1.285 1.00 0.00 C ATOM 926 CG LEU B 26 -9.161 -11.681 2.168 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.249 -13.202 2.336 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.022 -11.017 3.545 1.00 0.00 C ATOM 0 H LEU B 26 -6.318 -9.775 2.336 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.875 -12.544 2.702 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.913 -10.238 1.143 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.072 -11.765 0.298 1.00 0.00 H new ATOM 0 HG LEU B 26 -10.070 -11.321 1.687 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.106 -13.450 2.963 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.367 -13.670 1.359 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -8.337 -13.569 2.806 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -9.880 -11.279 4.164 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -8.108 -11.365 4.026 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.979 -9.935 3.424 1.00 0.00 H new ATOM 940 N LEU B 27 -4.897 -11.675 0.248 1.00 0.00 N ATOM 941 CA LEU B 27 -4.012 -12.192 -0.795 1.00 0.00 C ATOM 942 C LEU B 27 -3.130 -13.314 -0.251 1.00 0.00 C ATOM 943 O LEU B 27 -3.219 -14.461 -0.690 1.00 0.00 O ATOM 944 CB LEU B 27 -3.117 -11.076 -1.338 1.00 0.00 C ATOM 945 CG LEU B 27 -3.815 -10.389 -2.513 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.125 -9.057 -2.810 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.735 -11.289 -3.749 1.00 0.00 C ATOM 0 H LEU B 27 -4.781 -10.683 0.453 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.638 -12.583 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.905 -10.351 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.160 -11.487 -1.659 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.860 -10.208 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.623 -8.568 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.179 -8.415 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.080 -9.237 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.232 -10.801 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.690 -11.469 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.226 -12.239 -3.540 1.00 0.00 H new ATOM 959 N GLU B 28 -2.275 -12.969 0.710 1.00 0.00 N ATOM 960 CA GLU B 28 -1.375 -13.945 1.312 1.00 0.00 C ATOM 961 C GLU B 28 -2.159 -15.103 1.929 1.00 0.00 C ATOM 962 O GLU B 28 -1.692 -16.242 1.956 1.00 0.00 O ATOM 963 CB GLU B 28 -0.527 -13.273 2.391 1.00 0.00 C ATOM 964 CG GLU B 28 -1.433 -12.662 3.466 1.00 0.00 C ATOM 965 CD GLU B 28 -0.656 -11.609 4.249 1.00 0.00 C ATOM 966 OE1 GLU B 28 0.307 -11.976 4.902 1.00 0.00 O ATOM 967 OE2 GLU B 28 -1.034 -10.451 4.184 1.00 0.00 O ATOM 0 H GLU B 28 -2.188 -12.025 1.086 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.728 -14.340 0.529 1.00 0.00 H new ATOM 0 HB2 GLU B 28 0.146 -14.002 2.842 1.00 0.00 H new ATOM 0 HB3 GLU B 28 0.096 -12.498 1.945 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -2.311 -12.212 3.003 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -1.791 -13.440 4.140 1.00 0.00 H new ATOM 974 N GLN B 29 -3.354 -14.795 2.427 1.00 0.00 N ATOM 975 CA GLN B 29 -4.197 -15.817 3.043 1.00 0.00 C ATOM 976 C GLN B 29 -4.550 -16.902 2.031 1.00 0.00 C ATOM 977 O GLN B 29 -4.700 -18.072 2.382 1.00 0.00 O ATOM 978 CB GLN B 29 -5.489 -15.193 3.576 1.00 0.00 C ATOM 979 CG GLN B 29 -6.157 -16.161 4.555 1.00 0.00 C ATOM 980 CD GLN B 29 -7.635 -15.809 4.691 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.468 -16.295 3.927 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.012 -14.983 5.628 1.00 0.00 N ATOM 0 H GLN B 29 -3.757 -13.858 2.417 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.639 -16.260 3.868 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.271 -14.248 4.074 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.165 -14.970 2.751 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.048 -17.186 4.201 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.668 -16.106 5.528 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.321 -14.580 6.261 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.998 -14.740 5.727 1.00 0.00 H new ATOM 991 N GLN B 30 -4.681 -16.499 0.771 1.00 0.00 N ATOM 992 CA GLN B 30 -5.015 -17.445 -0.291 1.00 0.00 C ATOM 993 C GLN B 30 -3.745 -17.998 -0.930 1.00 0.00 C ATOM 994 O GLN B 30 -3.670 -19.178 -1.276 1.00 0.00 O ATOM 995 CB GLN B 30 -5.862 -16.765 -1.368 1.00 0.00 C ATOM 996 CG GLN B 30 -7.206 -16.344 -0.771 1.00 0.00 C ATOM 997 CD GLN B 30 -8.293 -16.452 -1.835 1.00 0.00 C ATOM 998 OE1 GLN B 30 -9.319 -17.095 -1.620 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.127 -15.852 -2.982 1.00 0.00 N ATOM 0 H GLN B 30 -4.563 -15.534 0.461 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.583 -18.262 0.153 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -5.338 -15.894 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.021 -17.446 -2.204 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.452 -16.978 0.081 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.146 -15.321 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.276 -15.319 -3.160 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.848 -15.916 -3.700 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.750 -17.131 -1.082 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.481 -17.539 -1.682 1.00 0.00 C ATOM 1010 C VAL B 31 -0.802 -18.594 -0.810 1.00 0.00 C ATOM 1011 O VAL B 31 -0.134 -19.499 -1.312 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.546 -16.333 -1.836 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.722 -16.752 -2.585 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.260 -15.230 -2.628 1.00 0.00 C ATOM 0 H VAL B 31 -2.794 -16.151 -0.802 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.689 -17.958 -2.667 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.276 -15.961 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.383 -15.892 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.233 -17.535 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.454 -17.128 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.596 -14.373 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.531 -15.607 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.161 -14.925 -2.096 1.00 0.00 H new ATOM 1024 N ARG B 32 -0.981 -18.466 0.500 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.383 -19.413 1.438 1.00 0.00 C ATOM 1026 C ARG B 32 -1.152 -20.730 1.428 1.00 0.00 C ATOM 1027 O ARG B 32 -0.567 -21.808 1.535 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.391 -18.841 2.857 1.00 0.00 C ATOM 1029 CG ARG B 32 0.700 -19.518 3.688 1.00 0.00 C ATOM 1030 CD ARG B 32 0.277 -19.550 5.158 1.00 0.00 C ATOM 1031 NE ARG B 32 1.297 -20.211 5.975 1.00 0.00 N ATOM 1032 CZ ARG B 32 2.474 -19.630 6.253 1.00 0.00 C ATOM 1033 NH1 ARG B 32 2.766 -18.434 5.801 1.00 0.00 N ATOM 1034 NH2 ARG B 32 3.344 -20.267 6.987 1.00 0.00 N ATOM 0 H ARG B 32 -1.529 -17.724 0.935 1.00 0.00 H new ATOM 0 HA ARG B 32 0.646 -19.591 1.126 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -0.224 -17.764 2.827 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -1.366 -19.000 3.319 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.871 -20.532 3.326 1.00 0.00 H new ATOM 0 HG3 ARG B 32 1.641 -18.978 3.581 1.00 0.00 H new ATOM 0 HD2 ARG B 32 0.118 -18.534 5.518 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -0.673 -20.076 5.257 1.00 0.00 H new ATOM 0 HE ARG B 32 1.107 -21.143 6.344 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.092 -17.927 5.226 1.00 0.00 H new ATOM 0 HH12 ARG B 32 3.667 -18.010 6.024 1.00 0.00 H new ATOM 0 HH21 ARG B 32 3.126 -21.198 7.344 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.242 -19.835 7.204 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.472 -20.630 1.299 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.318 -21.819 1.276 1.00 0.00 C ATOM 1050 C ALA B 33 -3.134 -22.579 -0.033 1.00 0.00 C ATOM 1051 O ALA B 33 -2.927 -23.793 -0.039 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.791 -21.433 1.424 1.00 0.00 C ATOM 0 H ALA B 33 -2.975 -19.747 1.210 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.024 -22.455 2.111 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.407 -22.332 1.405 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.938 -20.913 2.371 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.080 -20.778 0.602 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.213 -21.851 -1.144 1.00 0.00 N ATOM 1059 CA LEU B 34 -3.055 -22.464 -2.458 1.00 0.00 C ATOM 1060 C LEU B 34 -1.603 -22.872 -2.683 1.00 0.00 C ATOM 1061 O LEU B 34 -1.322 -23.976 -3.149 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.475 -21.487 -3.559 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.965 -21.664 -3.856 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -5.787 -20.889 -2.825 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -5.272 -21.130 -5.257 1.00 0.00 C ATOM 0 H LEU B 34 -3.384 -20.846 -1.161 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.691 -23.348 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.275 -20.462 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.890 -21.665 -4.461 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.222 -22.722 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.849 -21.015 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.569 -21.268 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -5.530 -19.831 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.334 -21.256 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.015 -20.072 -5.308 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.687 -21.681 -5.993 1.00 0.00 H new HETATM 1077 N NH2 B 35 -0.650 -22.035 -2.377 1.00 0.00 N TER 1080 NH2 B 35