USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=7 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= -0.21 X(o=-0.21,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.16) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.039) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0651) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.765 F(o=-1.3,f=-0.77) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.083) 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= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.26) USER MOD Single : B 14 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.5) USER MOD Single : B 15 GLN : amide:sc= -0.0625 K(o=-0.063,f=-2.2!) USER MOD Single : B 21 LYS NZ :NH3+ -163:sc=-0.00308 (180deg=-0.0925) USER MOD Single : B 23 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : B 24 ASN : amide:sc= -5.12! C(o=-5.1!,f=-8.7!) 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=-0.047) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 -1.500 25.645 9.005 1.00 0.00 C HETATM 2 O ACE A 2 -2.371 25.807 8.151 1.00 0.00 O HETATM 3 CH3 ACE A 2 -0.899 26.833 9.750 1.00 0.00 C HETATM 0 H1 ACE A 2 -1.081 26.722 10.819 1.00 0.00 H new HETATM 0 H2 ACE A 2 0.175 26.872 9.567 1.00 0.00 H new HETATM 0 H3 ACE A 2 -1.361 27.755 9.397 1.00 0.00 H new ATOM 7 N CYS A 3 -1.023 24.449 9.340 1.00 0.00 N ATOM 8 CA CYS A 3 -1.520 23.232 8.698 1.00 0.00 C ATOM 9 C CYS A 3 -0.814 22.000 9.260 1.00 0.00 C ATOM 10 O CYS A 3 -1.425 20.945 9.437 1.00 0.00 O ATOM 11 CB CYS A 3 -1.303 23.287 7.181 1.00 0.00 C ATOM 12 SG CYS A 3 0.438 23.624 6.823 1.00 0.00 S ATOM 0 H CYS A 3 -0.301 24.295 10.044 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.588 23.163 8.905 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.601 22.342 6.727 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.931 24.063 6.742 1.00 0.00 H new ATOM 17 N GLY A 4 0.480 22.141 9.535 1.00 0.00 N ATOM 18 CA GLY A 4 1.259 21.029 10.077 1.00 0.00 C ATOM 19 C GLY A 4 2.390 20.649 9.128 1.00 0.00 C ATOM 20 O GLY A 4 3.145 21.503 8.664 1.00 0.00 O ATOM 0 H GLY A 4 1.007 23.003 9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.670 21.306 11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.610 20.169 10.239 1.00 0.00 H new ATOM 24 N GLY A 5 2.497 19.354 8.844 1.00 0.00 N ATOM 25 CA GLY A 5 3.540 18.864 7.948 1.00 0.00 C ATOM 26 C GLY A 5 2.983 17.823 6.984 1.00 0.00 C ATOM 27 O GLY A 5 3.252 16.630 7.111 1.00 0.00 O ATOM 0 H GLY A 5 1.881 18.631 9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.963 19.697 7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.351 18.428 8.531 1.00 0.00 H new ATOM 31 N VAL A 6 2.198 18.292 6.016 1.00 0.00 N ATOM 32 CA VAL A 6 1.602 17.393 5.030 1.00 0.00 C ATOM 33 C VAL A 6 2.663 16.906 4.048 1.00 0.00 C ATOM 34 O VAL A 6 2.597 15.782 3.548 1.00 0.00 O ATOM 35 CB VAL A 6 0.491 18.107 4.255 1.00 0.00 C ATOM 36 CG1 VAL A 6 -0.246 17.099 3.370 1.00 0.00 C ATOM 37 CG2 VAL A 6 -0.497 18.736 5.239 1.00 0.00 C ATOM 0 H VAL A 6 1.962 19.277 5.894 1.00 0.00 H new ATOM 0 HA VAL A 6 1.179 16.540 5.561 1.00 0.00 H new ATOM 0 HB VAL A 6 0.930 18.886 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.037 17.608 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.456 16.651 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.683 16.319 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.287 19.244 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.934 17.957 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.025 19.456 5.869 1.00 0.00 H new ATOM 47 N GLN A 7 3.641 17.764 3.775 1.00 0.00 N ATOM 48 CA GLN A 7 4.715 17.413 2.848 1.00 0.00 C ATOM 49 C GLN A 7 5.501 16.216 3.373 1.00 0.00 C ATOM 50 O GLN A 7 5.803 15.280 2.633 1.00 0.00 O ATOM 51 CB GLN A 7 5.670 18.593 2.663 1.00 0.00 C ATOM 52 CG GLN A 7 5.133 19.519 1.569 1.00 0.00 C ATOM 53 CD GLN A 7 5.703 20.919 1.761 1.00 0.00 C ATOM 54 OE1 GLN A 7 6.525 21.376 0.968 1.00 0.00 O ATOM 55 NE2 GLN A 7 5.311 21.637 2.779 1.00 0.00 N ATOM 0 H GLN A 7 3.714 18.699 4.177 1.00 0.00 H new ATOM 0 HA GLN A 7 4.262 17.159 1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.773 19.141 3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.663 18.232 2.394 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.407 19.135 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.044 19.550 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.629 21.259 3.437 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.686 22.576 2.916 1.00 0.00 H new ATOM 64 N ALA A 8 5.829 16.256 4.661 1.00 0.00 N ATOM 65 CA ALA A 8 6.581 15.168 5.280 1.00 0.00 C ATOM 66 C ALA A 8 5.769 13.878 5.254 1.00 0.00 C ATOM 67 O ALA A 8 6.261 12.823 4.853 1.00 0.00 O ATOM 68 CB ALA A 8 6.925 15.510 6.732 1.00 0.00 C ATOM 0 H ALA A 8 5.589 17.021 5.291 1.00 0.00 H new ATOM 0 HA ALA A 8 7.501 15.031 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.485 14.687 7.177 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.529 16.417 6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.006 15.669 7.296 1.00 0.00 H new ATOM 74 N GLU A 9 4.513 13.975 5.684 1.00 0.00 N ATOM 75 CA GLU A 9 3.634 12.809 5.706 1.00 0.00 C ATOM 76 C GLU A 9 3.418 12.279 4.293 1.00 0.00 C ATOM 77 O GLU A 9 3.266 11.075 4.082 1.00 0.00 O ATOM 78 CB GLU A 9 2.278 13.174 6.313 1.00 0.00 C ATOM 79 CG GLU A 9 1.582 11.905 6.809 1.00 0.00 C ATOM 80 CD GLU A 9 0.230 12.268 7.416 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.187 13.204 8.197 1.00 0.00 O ATOM 82 OE2 GLU A 9 -0.740 11.605 7.088 1.00 0.00 O ATOM 0 H GLU A 9 4.085 14.838 6.018 1.00 0.00 H new ATOM 0 HA GLU A 9 4.110 12.040 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.413 13.873 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.658 13.675 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.446 11.206 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.203 11.404 7.552 1.00 0.00 H new ATOM 89 N GLU A 10 3.407 13.193 3.327 1.00 0.00 N ATOM 90 CA GLU A 10 3.210 12.808 1.932 1.00 0.00 C ATOM 91 C GLU A 10 4.361 11.928 1.454 1.00 0.00 C ATOM 92 O GLU A 10 4.156 10.948 0.739 1.00 0.00 O ATOM 93 CB GLU A 10 3.128 14.049 1.040 1.00 0.00 C ATOM 94 CG GLU A 10 2.683 13.640 -0.365 1.00 0.00 C ATOM 95 CD GLU A 10 3.020 14.754 -1.350 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.333 15.761 -1.333 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.962 14.581 -2.109 1.00 0.00 O ATOM 0 H GLU A 10 3.531 14.194 3.481 1.00 0.00 H new ATOM 0 HA GLU A 10 2.275 12.251 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.424 14.767 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.099 14.543 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.180 12.716 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.611 13.443 -0.375 1.00 0.00 H new ATOM 104 N GLN A 11 5.574 12.290 1.860 1.00 0.00 N ATOM 105 CA GLN A 11 6.756 11.527 1.470 1.00 0.00 C ATOM 106 C GLN A 11 6.677 10.106 2.020 1.00 0.00 C ATOM 107 O GLN A 11 7.147 9.156 1.393 1.00 0.00 O ATOM 108 CB GLN A 11 8.026 12.195 2.001 1.00 0.00 C ATOM 109 CG GLN A 11 8.539 13.207 0.974 1.00 0.00 C ATOM 110 CD GLN A 11 9.931 13.680 1.377 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.867 13.625 0.580 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.125 14.148 2.579 1.00 0.00 N ATOM 0 H GLN A 11 5.764 13.098 2.453 1.00 0.00 H new ATOM 0 HA GLN A 11 6.791 11.496 0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.818 12.695 2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.790 11.443 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.570 12.752 -0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.858 14.056 0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.349 14.194 3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.052 14.468 2.858 1.00 0.00 H new ATOM 121 N LYS A 12 6.075 9.974 3.198 1.00 0.00 N ATOM 122 CA LYS A 12 5.936 8.663 3.827 1.00 0.00 C ATOM 123 C LYS A 12 4.800 7.879 3.180 1.00 0.00 C ATOM 124 O LYS A 12 4.863 6.656 3.054 1.00 0.00 O ATOM 125 CB LYS A 12 5.647 8.816 5.323 1.00 0.00 C ATOM 126 CG LYS A 12 6.967 8.880 6.094 1.00 0.00 C ATOM 127 CD LYS A 12 6.683 9.188 7.566 1.00 0.00 C ATOM 128 CE LYS A 12 7.717 8.482 8.444 1.00 0.00 C ATOM 129 NZ LYS A 12 9.083 8.961 8.088 1.00 0.00 N ATOM 0 H LYS A 12 5.680 10.748 3.732 1.00 0.00 H new ATOM 0 HA LYS A 12 6.873 8.123 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.065 9.720 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.048 7.977 5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.499 7.933 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.612 9.648 5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.719 10.264 7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.679 8.857 7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.513 8.681 9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.651 7.403 8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.756 8.671 8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.369 8.548 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.078 9.998 8.012 1.00 0.00 H new ATOM 143 N LEU A 13 3.761 8.599 2.767 1.00 0.00 N ATOM 144 CA LEU A 13 2.610 7.965 2.130 1.00 0.00 C ATOM 145 C LEU A 13 3.023 7.304 0.817 1.00 0.00 C ATOM 146 O LEU A 13 2.573 6.208 0.488 1.00 0.00 O ATOM 147 CB LEU A 13 1.517 8.997 1.845 1.00 0.00 C ATOM 148 CG LEU A 13 0.655 9.189 3.096 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.207 10.649 3.189 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.577 8.285 3.008 1.00 0.00 C ATOM 0 H LEU A 13 3.692 9.612 2.860 1.00 0.00 H new ATOM 0 HA LEU A 13 2.224 7.208 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.966 9.946 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.898 8.665 1.011 1.00 0.00 H new ATOM 0 HG LEU A 13 1.237 8.930 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.407 10.785 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.083 11.295 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.375 10.908 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.192 8.420 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.157 8.546 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.260 7.244 2.941 1.00 0.00 H new ATOM 162 N ILE A 14 3.886 7.990 0.074 1.00 0.00 N ATOM 163 CA ILE A 14 4.359 7.467 -1.206 1.00 0.00 C ATOM 164 C ILE A 14 5.228 6.230 -0.989 1.00 0.00 C ATOM 165 O ILE A 14 4.975 5.169 -1.555 1.00 0.00 O ATOM 166 CB ILE A 14 5.174 8.532 -1.949 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.330 9.798 -2.107 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.569 8.011 -3.335 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.251 11.006 -2.293 1.00 0.00 C ATOM 0 H ILE A 14 4.269 8.900 0.331 1.00 0.00 H new ATOM 0 HA ILE A 14 3.489 7.195 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 14 6.075 8.758 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.664 9.699 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.700 9.940 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.148 8.772 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.170 7.108 -3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.670 7.782 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.650 11.908 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.898 11.108 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.862 10.864 -3.184 1.00 0.00 H new ATOM 181 N SER A 15 6.263 6.387 -0.165 1.00 0.00 N ATOM 182 CA SER A 15 7.174 5.280 0.118 1.00 0.00 C ATOM 183 C SER A 15 6.419 4.096 0.718 1.00 0.00 C ATOM 184 O SER A 15 6.785 2.938 0.512 1.00 0.00 O ATOM 185 CB SER A 15 8.264 5.721 1.093 1.00 0.00 C ATOM 186 OG SER A 15 7.659 6.255 2.263 1.00 0.00 O ATOM 0 H SER A 15 6.490 7.259 0.313 1.00 0.00 H new ATOM 0 HA SER A 15 7.629 4.975 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.900 4.875 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.904 6.470 0.626 1.00 0.00 H new ATOM 0 HG SER A 15 8.356 6.538 2.892 1.00 0.00 H new ATOM 192 N GLU A 16 5.361 4.400 1.466 1.00 0.00 N ATOM 193 CA GLU A 16 4.560 3.351 2.092 1.00 0.00 C ATOM 194 C GLU A 16 3.797 2.561 1.034 1.00 0.00 C ATOM 195 O GLU A 16 3.586 1.356 1.168 1.00 0.00 O ATOM 196 CB GLU A 16 3.560 3.958 3.079 1.00 0.00 C ATOM 197 CG GLU A 16 2.944 2.845 3.931 1.00 0.00 C ATOM 198 CD GLU A 16 1.867 3.434 4.836 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.226 4.122 5.779 1.00 0.00 O ATOM 200 OE2 GLU A 16 0.702 3.189 4.574 1.00 0.00 O ATOM 0 H GLU A 16 5.041 5.351 1.652 1.00 0.00 H new ATOM 0 HA GLU A 16 5.237 2.684 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.060 4.686 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.778 4.492 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.514 2.077 3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.715 2.363 4.532 1.00 0.00 H new ATOM 207 N GLU A 17 3.383 3.257 -0.022 1.00 0.00 N ATOM 208 CA GLU A 17 2.642 2.614 -1.103 1.00 0.00 C ATOM 209 C GLU A 17 3.570 1.736 -1.936 1.00 0.00 C ATOM 210 O GLU A 17 3.175 0.677 -2.424 1.00 0.00 O ATOM 211 CB GLU A 17 2.002 3.664 -2.013 1.00 0.00 C ATOM 212 CG GLU A 17 0.795 3.053 -2.729 1.00 0.00 C ATOM 213 CD GLU A 17 0.206 4.074 -3.696 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.161 5.146 -3.245 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.132 3.768 -4.875 1.00 0.00 O ATOM 0 H GLU A 17 3.546 4.256 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 17 1.862 1.998 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.691 4.528 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.729 4.020 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.096 2.156 -3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.042 2.749 -2.001 1.00 0.00 H new ATOM 222 N ASP A 18 4.811 2.188 -2.090 1.00 0.00 N ATOM 223 CA ASP A 18 5.794 1.436 -2.866 1.00 0.00 C ATOM 224 C ASP A 18 6.052 0.077 -2.223 1.00 0.00 C ATOM 225 O ASP A 18 6.110 -0.947 -2.904 1.00 0.00 O ATOM 226 CB ASP A 18 7.114 2.206 -2.949 1.00 0.00 C ATOM 227 CG ASP A 18 7.937 1.679 -4.118 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.366 1.480 -5.178 1.00 0.00 O ATOM 229 OD2 ASP A 18 9.128 1.483 -3.939 1.00 0.00 O ATOM 0 H ASP A 18 5.158 3.061 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 18 5.393 1.294 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.919 3.271 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.671 2.095 -2.019 1.00 0.00 H new ATOM 234 N LEU A 19 6.204 0.079 -0.903 1.00 0.00 N ATOM 235 CA LEU A 19 6.454 -1.160 -0.171 1.00 0.00 C ATOM 236 C LEU A 19 5.278 -2.117 -0.331 1.00 0.00 C ATOM 237 O LEU A 19 5.455 -3.328 -0.469 1.00 0.00 O ATOM 238 CB LEU A 19 6.665 -0.872 1.317 1.00 0.00 C ATOM 239 CG LEU A 19 7.461 -2.014 1.952 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.955 -1.705 1.859 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.060 -2.156 3.421 1.00 0.00 C ATOM 0 H LEU A 19 6.159 0.916 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 19 7.354 -1.617 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.198 0.071 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.703 -0.764 1.817 1.00 0.00 H new ATOM 0 HG LEU A 19 7.249 -2.944 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.523 -2.518 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.241 -1.601 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.168 -0.776 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.626 -2.969 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.274 -1.226 3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.994 -2.374 3.488 1.00 0.00 H new ATOM 253 N LEU A 20 4.071 -1.557 -0.312 1.00 0.00 N ATOM 254 CA LEU A 20 2.864 -2.366 -0.455 1.00 0.00 C ATOM 255 C LEU A 20 2.730 -2.873 -1.888 1.00 0.00 C ATOM 256 O LEU A 20 2.198 -3.957 -2.132 1.00 0.00 O ATOM 257 CB LEU A 20 1.624 -1.543 -0.101 1.00 0.00 C ATOM 258 CG LEU A 20 1.331 -1.679 1.394 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.712 -0.380 1.914 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.353 -2.834 1.619 1.00 0.00 C ATOM 0 H LEU A 20 3.903 -0.557 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 20 2.944 -3.214 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.784 -0.496 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.768 -1.886 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 20 2.260 -1.879 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.503 -0.477 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.408 0.444 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.216 -0.180 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.144 -2.931 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.575 -2.634 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.793 -3.760 1.249 1.00 0.00 H new ATOM 272 N ARG A 21 3.219 -2.076 -2.836 1.00 0.00 N ATOM 273 CA ARG A 21 3.151 -2.450 -4.247 1.00 0.00 C ATOM 274 C ARG A 21 3.917 -3.746 -4.495 1.00 0.00 C ATOM 275 O ARG A 21 3.393 -4.692 -5.084 1.00 0.00 O ATOM 276 CB ARG A 21 3.746 -1.345 -5.123 1.00 0.00 C ATOM 277 CG ARG A 21 2.653 -0.338 -5.488 1.00 0.00 C ATOM 278 CD ARG A 21 3.251 1.070 -5.543 1.00 0.00 C ATOM 279 NE ARG A 21 4.429 1.098 -6.416 1.00 0.00 N ATOM 280 CZ ARG A 21 4.328 1.032 -7.751 1.00 0.00 C ATOM 281 NH1 ARG A 21 3.160 0.938 -8.341 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.411 1.061 -8.478 1.00 0.00 N ATOM 0 H ARG A 21 3.663 -1.175 -2.656 1.00 0.00 H new ATOM 0 HA ARG A 21 2.102 -2.594 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.556 -0.843 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.176 -1.775 -6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.214 -0.596 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.850 -0.375 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.504 1.774 -5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.528 1.393 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 21 5.355 1.170 -5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.307 0.914 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.105 0.889 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.324 1.133 -8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.344 1.011 -9.495 1.00 0.00 H new ATOM 296 N LYS A 22 5.165 -3.778 -4.038 1.00 0.00 N ATOM 297 CA LYS A 22 6.002 -4.963 -4.214 1.00 0.00 C ATOM 298 C LYS A 22 5.398 -6.154 -3.475 1.00 0.00 C ATOM 299 O LYS A 22 5.522 -7.299 -3.910 1.00 0.00 O ATOM 300 CB LYS A 22 7.413 -4.707 -3.680 1.00 0.00 C ATOM 301 CG LYS A 22 8.290 -4.147 -4.803 1.00 0.00 C ATOM 302 CD LYS A 22 7.808 -2.745 -5.177 1.00 0.00 C ATOM 303 CE LYS A 22 8.991 -1.916 -5.680 1.00 0.00 C ATOM 304 NZ LYS A 22 9.141 -2.106 -7.149 1.00 0.00 N ATOM 0 H LYS A 22 5.617 -3.006 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 22 6.054 -5.184 -5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.376 -4.004 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.842 -5.633 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.331 -4.111 -4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.247 -4.802 -5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.040 -2.807 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.354 -2.262 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.833 -0.862 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.905 -2.218 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.945 -1.543 -7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.311 -3.111 -7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.272 -1.797 -7.630 1.00 0.00 H new ATOM 318 N ARG A 23 4.746 -5.869 -2.352 1.00 0.00 N ATOM 319 CA ARG A 23 4.126 -6.925 -1.555 1.00 0.00 C ATOM 320 C ARG A 23 2.926 -7.513 -2.293 1.00 0.00 C ATOM 321 O ARG A 23 2.721 -8.727 -2.304 1.00 0.00 O ATOM 322 CB ARG A 23 3.659 -6.372 -0.206 1.00 0.00 C ATOM 323 CG ARG A 23 4.845 -6.314 0.759 1.00 0.00 C ATOM 324 CD ARG A 23 4.943 -7.633 1.528 1.00 0.00 C ATOM 325 NE ARG A 23 3.905 -7.711 2.558 1.00 0.00 N ATOM 326 CZ ARG A 23 3.979 -7.012 3.699 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.995 -6.219 3.948 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.023 -7.121 4.581 1.00 0.00 N ATOM 0 H ARG A 23 4.633 -4.928 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 23 4.870 -7.705 -1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.233 -5.377 -0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.872 -7.004 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.768 -6.133 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.721 -5.484 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.841 -8.470 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.927 -7.718 1.989 1.00 0.00 H new ATOM 0 HE ARG A 23 3.100 -8.317 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.748 -6.126 3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.031 -5.696 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.229 -7.734 4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.070 -6.593 5.452 1.00 0.00 H new ATOM 342 N ARG A 24 2.136 -6.637 -2.906 1.00 0.00 N ATOM 343 CA ARG A 24 0.956 -7.077 -3.646 1.00 0.00 C ATOM 344 C ARG A 24 1.361 -7.975 -4.811 1.00 0.00 C ATOM 345 O ARG A 24 0.670 -8.939 -5.140 1.00 0.00 O ATOM 346 CB ARG A 24 0.184 -5.873 -4.188 1.00 0.00 C ATOM 347 CG ARG A 24 -1.234 -6.306 -4.571 1.00 0.00 C ATOM 348 CD ARG A 24 -1.868 -5.241 -5.467 1.00 0.00 C ATOM 349 NE ARG A 24 -3.006 -5.795 -6.204 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.844 -6.584 -7.276 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.649 -6.899 -7.717 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.896 -7.050 -7.893 1.00 0.00 N ATOM 0 H ARG A 24 2.288 -5.628 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 24 0.319 -7.637 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.144 -5.085 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.697 -5.460 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.205 -7.264 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.837 -6.448 -3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.197 -4.397 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.126 -4.859 -6.168 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.952 -5.574 -5.892 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.820 -6.542 -7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.549 -7.501 -8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.830 -6.813 -7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.784 -7.651 -8.709 1.00 0.00 H new ATOM 366 N GLU A 25 2.490 -7.643 -5.432 1.00 0.00 N ATOM 367 CA GLU A 25 2.982 -8.426 -6.563 1.00 0.00 C ATOM 368 C GLU A 25 3.470 -9.792 -6.094 1.00 0.00 C ATOM 369 O GLU A 25 3.145 -10.821 -6.687 1.00 0.00 O ATOM 370 CB GLU A 25 4.134 -7.696 -7.257 1.00 0.00 C ATOM 371 CG GLU A 25 3.595 -6.455 -7.972 1.00 0.00 C ATOM 372 CD GLU A 25 4.712 -5.813 -8.789 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.453 -6.547 -9.421 1.00 0.00 O ATOM 374 OE2 GLU A 25 4.810 -4.598 -8.768 1.00 0.00 O ATOM 0 H GLU A 25 3.075 -6.848 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 25 2.159 -8.557 -7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.889 -7.408 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.620 -8.359 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.765 -6.729 -8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.207 -5.743 -7.244 1.00 0.00 H new ATOM 381 N GLN A 26 4.257 -9.791 -5.021 1.00 0.00 N ATOM 382 CA GLN A 26 4.789 -11.036 -4.478 1.00 0.00 C ATOM 383 C GLN A 26 3.666 -11.887 -3.895 1.00 0.00 C ATOM 384 O GLN A 26 3.636 -13.106 -4.067 1.00 0.00 O ATOM 385 CB GLN A 26 5.813 -10.746 -3.379 1.00 0.00 C ATOM 386 CG GLN A 26 7.124 -10.275 -4.013 1.00 0.00 C ATOM 387 CD GLN A 26 8.269 -10.484 -3.030 1.00 0.00 C ATOM 388 OE1 GLN A 26 9.006 -9.548 -2.716 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.466 -11.669 -2.518 1.00 0.00 N ATOM 0 H GLN A 26 4.538 -8.951 -4.515 1.00 0.00 H new ATOM 0 HA GLN A 26 5.271 -11.578 -5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.429 -9.983 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.986 -11.642 -2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.315 -10.828 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.051 -9.222 -4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.856 -12.444 -2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.230 -11.819 -1.859 1.00 0.00 H new ATOM 398 N LEU A 27 2.739 -11.229 -3.203 1.00 0.00 N ATOM 399 CA LEU A 27 1.613 -11.933 -2.597 1.00 0.00 C ATOM 400 C LEU A 27 0.756 -12.593 -3.670 1.00 0.00 C ATOM 401 O LEU A 27 0.319 -13.735 -3.522 1.00 0.00 O ATOM 402 CB LEU A 27 0.744 -10.963 -1.794 1.00 0.00 C ATOM 403 CG LEU A 27 1.493 -10.531 -0.532 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.893 -9.227 -0.002 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.365 -11.622 0.534 1.00 0.00 C ATOM 0 H LEU A 27 2.744 -10.221 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 27 2.015 -12.697 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.498 -10.091 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.198 -11.440 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 27 2.545 -10.375 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.427 -8.920 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.983 -8.450 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.159 -9.381 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.898 -11.316 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.312 -11.777 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.793 -12.551 0.157 1.00 0.00 H new ATOM 417 N LYS A 28 0.518 -11.862 -4.756 1.00 0.00 N ATOM 418 CA LYS A 28 -0.290 -12.385 -5.854 1.00 0.00 C ATOM 419 C LYS A 28 0.456 -13.497 -6.582 1.00 0.00 C ATOM 420 O LYS A 28 -0.148 -14.452 -7.073 1.00 0.00 O ATOM 421 CB LYS A 28 -0.623 -11.273 -6.850 1.00 0.00 C ATOM 422 CG LYS A 28 -1.649 -11.785 -7.864 1.00 0.00 C ATOM 423 CD LYS A 28 -2.455 -10.607 -8.414 1.00 0.00 C ATOM 424 CE LYS A 28 -3.729 -10.429 -7.585 1.00 0.00 C ATOM 425 NZ LYS A 28 -4.733 -11.453 -7.990 1.00 0.00 N ATOM 0 H LYS A 28 0.869 -10.915 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.213 -12.783 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.019 -10.405 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.281 -10.948 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.144 -12.305 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.316 -12.506 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.857 -9.696 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.710 -10.783 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.502 -10.527 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.135 -9.428 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.669 -11.185 -7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.770 -11.511 -9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.461 -12.378 -7.601 1.00 0.00 H new ATOM 439 N HIS A 29 1.776 -13.364 -6.646 1.00 0.00 N ATOM 440 CA HIS A 29 2.603 -14.365 -7.318 1.00 0.00 C ATOM 441 C HIS A 29 2.476 -15.715 -6.621 1.00 0.00 C ATOM 442 O HIS A 29 2.485 -16.766 -7.263 1.00 0.00 O ATOM 443 CB HIS A 29 4.071 -13.938 -7.315 1.00 0.00 C ATOM 444 CG HIS A 29 4.320 -12.985 -8.452 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.007 -11.799 -8.521 1.00 0.00 N flip ATOM 446 CD2 HIS A 29 3.826 -13.211 -9.726 1.00 0.00 C flip ATOM 447 CE1 HIS A 29 4.943 -11.295 -9.816 1.00 0.00 C flip ATOM 448 NE2 HIS A 29 4.219 -12.184 -10.502 1.00 0.00 N flip ATOM 0 H HIS A 29 2.294 -12.582 -6.246 1.00 0.00 H new ATOM 0 HA HIS A 29 2.254 -14.453 -8.347 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.320 -13.462 -6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.715 -14.812 -7.412 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.233 -14.057 -10.040 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.384 -10.382 -10.187 1.00 0.00 H new ATOM 0 HE2 HIS A 29 3.992 -12.095 -11.492 1.00 0.00 H new ATOM 456 N LYS A 30 2.358 -15.675 -5.297 1.00 0.00 N ATOM 457 CA LYS A 30 2.229 -16.902 -4.516 1.00 0.00 C ATOM 458 C LYS A 30 0.792 -17.410 -4.552 1.00 0.00 C ATOM 459 O LYS A 30 0.544 -18.615 -4.593 1.00 0.00 O ATOM 460 CB LYS A 30 2.635 -16.656 -3.060 1.00 0.00 C ATOM 461 CG LYS A 30 2.734 -17.994 -2.325 1.00 0.00 C ATOM 462 CD LYS A 30 3.493 -17.798 -1.011 1.00 0.00 C ATOM 463 CE LYS A 30 4.997 -17.900 -1.269 1.00 0.00 C ATOM 464 NZ LYS A 30 5.724 -16.995 -0.335 1.00 0.00 N ATOM 0 H LYS A 30 2.349 -14.816 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 30 2.889 -17.650 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.592 -16.136 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.903 -16.013 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.737 -18.387 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.247 -18.727 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.252 -16.826 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.186 -18.552 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.332 -18.928 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.219 -17.629 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.747 -17.064 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.412 -16.015 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.521 -17.273 0.646 1.00 0.00 H new ATOM 478 N LEU A 31 -0.154 -16.475 -4.535 1.00 0.00 N ATOM 479 CA LEU A 31 -1.569 -16.835 -4.564 1.00 0.00 C ATOM 480 C LEU A 31 -1.925 -17.477 -5.903 1.00 0.00 C ATOM 481 O LEU A 31 -2.710 -18.422 -5.966 1.00 0.00 O ATOM 482 CB LEU A 31 -2.443 -15.591 -4.353 1.00 0.00 C ATOM 483 CG LEU A 31 -3.674 -15.935 -3.500 1.00 0.00 C ATOM 484 CD1 LEU A 31 -4.499 -17.032 -4.182 1.00 0.00 C ATOM 485 CD2 LEU A 31 -3.226 -16.418 -2.116 1.00 0.00 C ATOM 0 H LEU A 31 0.030 -15.472 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.755 -17.547 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.861 -14.810 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.761 -15.195 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.289 -15.041 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.369 -17.268 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.829 -16.684 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.887 -17.926 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.102 -16.661 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.603 -17.306 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.654 -15.631 -1.624 1.00 0.00 H new ATOM 497 N GLU A 32 -1.337 -16.949 -6.974 1.00 0.00 N ATOM 498 CA GLU A 32 -1.598 -17.475 -8.311 1.00 0.00 C ATOM 499 C GLU A 32 -1.139 -18.926 -8.410 1.00 0.00 C ATOM 500 O GLU A 32 -1.824 -19.771 -8.987 1.00 0.00 O ATOM 501 CB GLU A 32 -0.864 -16.647 -9.366 1.00 0.00 C ATOM 502 CG GLU A 32 -1.500 -16.885 -10.737 1.00 0.00 C ATOM 503 CD GLU A 32 -0.694 -16.155 -11.806 1.00 0.00 C ATOM 504 OE1 GLU A 32 -0.248 -15.053 -11.534 1.00 0.00 O ATOM 505 OE2 GLU A 32 -0.534 -16.712 -12.880 1.00 0.00 O ATOM 0 H GLU A 32 -0.684 -16.166 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.672 -17.419 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.912 -15.588 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.190 -16.922 -9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.530 -17.953 -10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.531 -16.530 -10.738 1.00 0.00 H new ATOM 512 N GLN A 33 0.030 -19.205 -7.841 1.00 0.00 N ATOM 513 CA GLN A 33 0.577 -20.558 -7.871 1.00 0.00 C ATOM 514 C GLN A 33 -0.118 -21.435 -6.834 1.00 0.00 C ATOM 515 O GLN A 33 -0.818 -22.389 -7.176 1.00 0.00 O ATOM 516 CB GLN A 33 2.079 -20.536 -7.576 1.00 0.00 C ATOM 517 CG GLN A 33 2.816 -19.862 -8.736 1.00 0.00 C ATOM 518 CD GLN A 33 3.113 -20.895 -9.818 1.00 0.00 C ATOM 519 OE1 GLN A 33 2.291 -21.128 -10.704 1.00 0.00 O ATOM 520 NE2 GLN A 33 4.250 -21.533 -9.799 1.00 0.00 N ATOM 0 H GLN A 33 0.612 -18.520 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 33 0.409 -20.967 -8.867 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.270 -19.998 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.448 -21.552 -7.438 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.210 -19.054 -9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.744 -19.415 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.931 -21.340 -9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.458 -22.225 -10.518 1.00 0.00 H new ATOM 529 N LEU A 34 0.082 -21.101 -5.563 1.00 0.00 N ATOM 530 CA LEU A 34 -0.531 -21.864 -4.479 1.00 0.00 C ATOM 531 C LEU A 34 -1.558 -21.011 -3.741 1.00 0.00 C ATOM 532 O LEU A 34 -2.760 -21.257 -3.827 1.00 0.00 O ATOM 533 CB LEU A 34 0.535 -22.332 -3.485 1.00 0.00 C ATOM 534 CG LEU A 34 1.446 -23.358 -4.158 1.00 0.00 C ATOM 535 CD1 LEU A 34 2.855 -23.255 -3.571 1.00 0.00 C ATOM 536 CD2 LEU A 34 0.895 -24.766 -3.914 1.00 0.00 C ATOM 0 H LEU A 34 0.657 -20.316 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.026 -22.731 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.122 -21.482 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.061 -22.772 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 34 1.484 -23.161 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.504 -23.987 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.248 -22.253 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.818 -23.451 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.544 -25.499 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.857 -24.961 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.109 -24.841 -4.332 1.00 0.00 H new HETATM 548 N NH2 A 35 -1.149 -20.009 -3.012 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 1.265 25.396 3.825 1.00 0.00 C HETATM 553 O ACE B 2 2.485 25.559 3.828 1.00 0.00 O HETATM 554 CH3 ACE B 2 0.311 26.584 3.882 1.00 0.00 C HETATM 0 H1 ACE B 2 -0.321 26.586 2.994 1.00 0.00 H new HETATM 0 H2 ACE B 2 -0.314 26.506 4.771 1.00 0.00 H new HETATM 0 H3 ACE B 2 0.885 27.510 3.922 1.00 0.00 H new ATOM 558 N CYS B 3 0.694 24.196 3.774 1.00 0.00 N ATOM 559 CA CYS B 3 1.501 22.979 3.717 1.00 0.00 C ATOM 560 C CYS B 3 1.777 22.592 2.268 1.00 0.00 C ATOM 561 O CYS B 3 2.902 22.704 1.783 1.00 0.00 O ATOM 562 CB CYS B 3 0.780 21.825 4.414 1.00 0.00 C ATOM 563 SG CYS B 3 1.167 21.851 6.183 1.00 0.00 S ATOM 0 H CYS B 3 -0.314 24.039 3.771 1.00 0.00 H new ATOM 0 HA CYS B 3 2.444 23.176 4.227 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -0.296 21.912 4.265 1.00 0.00 H new ATOM 0 HB3 CYS B 3 1.087 20.874 3.978 1.00 0.00 H new ATOM 568 N GLY B 4 0.733 22.133 1.583 1.00 0.00 N ATOM 569 CA GLY B 4 0.869 21.728 0.186 1.00 0.00 C ATOM 570 C GLY B 4 0.351 20.309 -0.019 1.00 0.00 C ATOM 571 O GLY B 4 0.471 19.455 0.860 1.00 0.00 O ATOM 0 H GLY B 4 -0.207 22.033 1.967 1.00 0.00 H new ATOM 0 HA2 GLY B 4 0.317 22.417 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY B 4 1.915 21.785 -0.114 1.00 0.00 H new ATOM 575 N GLY B 5 -0.231 20.067 -1.190 1.00 0.00 N ATOM 576 CA GLY B 5 -0.768 18.747 -1.506 1.00 0.00 C ATOM 577 C GLY B 5 -2.269 18.699 -1.245 1.00 0.00 C ATOM 578 O GLY B 5 -3.035 18.151 -2.039 1.00 0.00 O ATOM 0 H GLY B 5 -0.342 20.760 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -0.568 18.508 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -0.265 17.991 -0.904 1.00 0.00 H new ATOM 582 N MET B 6 -2.682 19.279 -0.121 1.00 0.00 N ATOM 583 CA MET B 6 -4.097 19.301 0.243 1.00 0.00 C ATOM 584 C MET B 6 -4.631 17.881 0.405 1.00 0.00 C ATOM 585 O MET B 6 -3.934 16.904 0.130 1.00 0.00 O ATOM 586 CB MET B 6 -4.919 20.024 -0.826 1.00 0.00 C ATOM 587 CG MET B 6 -4.442 21.473 -0.945 1.00 0.00 C ATOM 588 SD MET B 6 -4.902 22.129 -2.568 1.00 0.00 S ATOM 589 CE MET B 6 -6.220 23.230 -2.002 1.00 0.00 C ATOM 0 H MET B 6 -2.064 19.736 0.549 1.00 0.00 H new ATOM 0 HA MET B 6 -4.188 19.833 1.190 1.00 0.00 H new ATOM 0 HB2 MET B 6 -4.815 19.516 -1.785 1.00 0.00 H new ATOM 0 HB3 MET B 6 -5.977 19.999 -0.565 1.00 0.00 H new ATOM 0 HG2 MET B 6 -4.887 22.079 -0.156 1.00 0.00 H new ATOM 0 HG3 MET B 6 -3.361 21.523 -0.814 1.00 0.00 H new ATOM 0 HE1 MET B 6 -6.654 23.748 -2.857 1.00 0.00 H new ATOM 0 HE2 MET B 6 -6.992 22.646 -1.502 1.00 0.00 H new ATOM 0 HE3 MET B 6 -5.809 23.961 -1.305 1.00 0.00 H new ATOM 599 N ARG B 7 -5.878 17.781 0.855 1.00 0.00 N ATOM 600 CA ARG B 7 -6.506 16.476 1.054 1.00 0.00 C ATOM 601 C ARG B 7 -6.634 15.726 -0.271 1.00 0.00 C ATOM 602 O ARG B 7 -6.662 14.496 -0.300 1.00 0.00 O ATOM 603 CB ARG B 7 -7.898 16.641 1.668 1.00 0.00 C ATOM 604 CG ARG B 7 -8.221 15.424 2.536 1.00 0.00 C ATOM 605 CD ARG B 7 -9.193 15.831 3.646 1.00 0.00 C ATOM 606 NE ARG B 7 -9.971 14.677 4.099 1.00 0.00 N ATOM 607 CZ ARG B 7 -10.926 14.118 3.342 1.00 0.00 C ATOM 608 NH1 ARG B 7 -11.208 14.584 2.149 1.00 0.00 N ATOM 609 NH2 ARG B 7 -11.588 13.089 3.800 1.00 0.00 N ATOM 0 H ARG B 7 -6.470 18.578 1.087 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.872 15.903 1.731 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -7.937 17.550 2.269 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -8.644 16.747 0.880 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -8.660 14.635 1.925 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -7.306 15.020 2.969 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -8.640 16.255 4.484 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -9.864 16.609 3.282 1.00 0.00 H new ATOM 0 HE ARG B 7 -9.780 14.285 5.021 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -10.697 15.386 1.781 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -11.938 14.144 1.589 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -11.377 12.718 4.726 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -12.316 12.657 3.231 1.00 0.00 H new ATOM 623 N ARG B 8 -6.716 16.477 -1.369 1.00 0.00 N ATOM 624 CA ARG B 8 -6.844 15.869 -2.693 1.00 0.00 C ATOM 625 C ARG B 8 -5.664 14.945 -2.982 1.00 0.00 C ATOM 626 O ARG B 8 -5.842 13.792 -3.377 1.00 0.00 O ATOM 627 CB ARG B 8 -6.905 16.950 -3.774 1.00 0.00 C ATOM 628 CG ARG B 8 -7.672 16.419 -4.985 1.00 0.00 C ATOM 629 CD ARG B 8 -7.866 17.545 -6.001 1.00 0.00 C ATOM 630 NE ARG B 8 -8.955 18.434 -5.586 1.00 0.00 N ATOM 631 CZ ARG B 8 -9.191 19.604 -6.195 1.00 0.00 C ATOM 632 NH1 ARG B 8 -8.452 20.011 -7.199 1.00 0.00 N ATOM 633 NH2 ARG B 8 -10.177 20.353 -5.781 1.00 0.00 N ATOM 0 H ARG B 8 -6.696 17.497 -1.369 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.766 15.288 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.394 17.842 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -5.897 17.242 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.126 15.594 -5.441 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.640 16.027 -4.672 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -6.942 18.115 -6.101 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.088 17.123 -6.981 1.00 0.00 H new ATOM 0 HE ARG B 8 -9.552 18.153 -4.809 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -7.680 19.433 -7.531 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.650 20.905 -7.648 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -10.758 20.046 -5.001 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -10.366 21.246 -6.237 1.00 0.00 H new ATOM 647 N LYS B 9 -4.456 15.464 -2.784 1.00 0.00 N ATOM 648 CA LYS B 9 -3.249 14.677 -3.029 1.00 0.00 C ATOM 649 C LYS B 9 -3.157 13.518 -2.041 1.00 0.00 C ATOM 650 O LYS B 9 -2.940 12.370 -2.427 1.00 0.00 O ATOM 651 CB LYS B 9 -2.001 15.551 -2.890 1.00 0.00 C ATOM 652 CG LYS B 9 -0.828 14.885 -3.611 1.00 0.00 C ATOM 653 CD LYS B 9 -0.799 15.344 -5.071 1.00 0.00 C ATOM 654 CE LYS B 9 0.652 15.440 -5.548 1.00 0.00 C ATOM 655 NZ LYS B 9 0.784 16.569 -6.513 1.00 0.00 N ATOM 0 H LYS B 9 -4.286 16.415 -2.458 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.305 14.285 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.187 16.539 -3.312 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.760 15.694 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS B 9 0.109 15.144 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.925 13.800 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.352 14.642 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -1.290 16.312 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS B 9 1.316 15.595 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.953 14.506 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.770 16.635 -6.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 0.161 16.403 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.513 17.458 -6.046 1.00 0.00 H new ATOM 669 N ASN B 10 -3.325 13.833 -0.760 1.00 0.00 N ATOM 670 CA ASN B 10 -3.260 12.811 0.283 1.00 0.00 C ATOM 671 C ASN B 10 -4.344 11.759 0.069 1.00 0.00 C ATOM 672 O ASN B 10 -4.160 10.583 0.385 1.00 0.00 O ATOM 673 CB ASN B 10 -3.442 13.442 1.664 1.00 0.00 C ATOM 674 CG ASN B 10 -2.301 14.415 1.935 1.00 0.00 C ATOM 675 OD1 ASN B 10 -2.360 15.579 1.538 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.252 14.005 2.595 1.00 0.00 N ATOM 0 H ASN B 10 -3.505 14.778 -0.420 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.280 12.337 0.228 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.398 13.964 1.714 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.462 12.667 2.430 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.483 14.649 2.781 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.201 13.041 2.925 1.00 0.00 H new ATOM 683 N ASP B 11 -5.478 12.196 -0.472 1.00 0.00 N ATOM 684 CA ASP B 11 -6.590 11.285 -0.728 1.00 0.00 C ATOM 685 C ASP B 11 -6.178 10.217 -1.735 1.00 0.00 C ATOM 686 O ASP B 11 -6.536 9.046 -1.602 1.00 0.00 O ATOM 687 CB ASP B 11 -7.795 12.051 -1.275 1.00 0.00 C ATOM 688 CG ASP B 11 -8.640 12.568 -0.116 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.836 11.820 0.829 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.077 13.704 -0.189 1.00 0.00 O ATOM 0 H ASP B 11 -5.651 13.165 -0.739 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.863 10.810 0.215 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.460 12.883 -1.894 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.393 11.401 -1.913 1.00 0.00 H new ATOM 695 N THR B 12 -5.421 10.635 -2.745 1.00 0.00 N ATOM 696 CA THR B 12 -4.962 9.707 -3.774 1.00 0.00 C ATOM 697 C THR B 12 -4.026 8.665 -3.171 1.00 0.00 C ATOM 698 O THR B 12 -3.998 7.511 -3.598 1.00 0.00 O ATOM 699 CB THR B 12 -4.221 10.458 -4.883 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.995 11.578 -5.291 1.00 0.00 O ATOM 701 CG2 THR B 12 -3.998 9.526 -6.074 1.00 0.00 C ATOM 0 H THR B 12 -5.115 11.600 -2.873 1.00 0.00 H new ATOM 0 HA THR B 12 -5.838 9.212 -4.194 1.00 0.00 H new ATOM 0 HB THR B 12 -3.256 10.799 -4.509 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.522 12.062 -6.000 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.470 10.063 -6.862 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.404 8.668 -5.759 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.961 9.181 -6.452 1.00 0.00 H new ATOM 709 N HIS B 13 -3.261 9.085 -2.167 1.00 0.00 N ATOM 710 CA HIS B 13 -2.325 8.181 -1.505 1.00 0.00 C ATOM 711 C HIS B 13 -3.068 7.249 -0.553 1.00 0.00 C ATOM 712 O HIS B 13 -2.775 6.056 -0.471 1.00 0.00 O ATOM 713 CB HIS B 13 -1.283 8.971 -0.710 1.00 0.00 C ATOM 714 CG HIS B 13 -0.367 9.692 -1.661 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.306 9.038 -2.680 1.00 0.00 N ATOM 716 CD2 HIS B 13 0.000 11.011 -1.756 1.00 0.00 C ATOM 717 CE1 HIS B 13 1.036 9.955 -3.338 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.887 11.176 -2.816 1.00 0.00 N ATOM 0 H HIS B 13 -3.270 10.035 -1.797 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.825 7.595 -2.276 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.777 9.686 -0.052 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.708 8.298 -0.074 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.347 11.801 -1.107 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.667 9.732 -4.186 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.328 12.042 -3.127 1.00 0.00 H new ATOM 726 N GLN B 14 -4.032 7.812 0.167 1.00 0.00 N ATOM 727 CA GLN B 14 -4.818 7.033 1.118 1.00 0.00 C ATOM 728 C GLN B 14 -5.642 5.974 0.394 1.00 0.00 C ATOM 729 O GLN B 14 -5.715 4.823 0.822 1.00 0.00 O ATOM 730 CB GLN B 14 -5.759 7.943 1.909 1.00 0.00 C ATOM 731 CG GLN B 14 -4.986 8.612 3.047 1.00 0.00 C ATOM 732 CD GLN B 14 -5.853 9.692 3.685 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.544 10.435 2.988 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.860 9.823 4.983 1.00 0.00 N ATOM 0 H GLN B 14 -4.287 8.798 0.112 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.125 6.545 1.803 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.187 8.700 1.252 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.590 7.363 2.311 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.703 7.870 3.794 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.063 9.049 2.666 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.288 9.207 5.561 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -6.438 10.541 5.420 1.00 0.00 H new ATOM 743 N GLN B 15 -6.268 6.378 -0.711 1.00 0.00 N ATOM 744 CA GLN B 15 -7.092 5.457 -1.491 1.00 0.00 C ATOM 745 C GLN B 15 -6.260 4.276 -1.987 1.00 0.00 C ATOM 746 O GLN B 15 -6.592 3.118 -1.739 1.00 0.00 O ATOM 747 CB GLN B 15 -7.704 6.175 -2.695 1.00 0.00 C ATOM 748 CG GLN B 15 -9.007 5.481 -3.096 1.00 0.00 C ATOM 749 CD GLN B 15 -10.166 6.079 -2.305 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.185 6.013 -1.076 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.144 6.662 -2.943 1.00 0.00 N ATOM 0 H GLN B 15 -6.221 7.327 -1.083 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.887 5.091 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.897 7.219 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.004 6.168 -3.530 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.182 5.602 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.935 4.410 -2.904 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -11.128 6.716 -3.961 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.925 7.063 -2.423 1.00 0.00 H new ATOM 760 N ASP B 16 -5.172 4.587 -2.689 1.00 0.00 N ATOM 761 CA ASP B 16 -4.294 3.543 -3.215 1.00 0.00 C ATOM 762 C ASP B 16 -3.713 2.713 -2.074 1.00 0.00 C ATOM 763 O ASP B 16 -3.614 1.491 -2.162 1.00 0.00 O ATOM 764 CB ASP B 16 -3.148 4.162 -4.016 1.00 0.00 C ATOM 765 CG ASP B 16 -2.736 3.209 -5.134 1.00 0.00 C ATOM 766 OD1 ASP B 16 -1.971 2.300 -4.859 1.00 0.00 O ATOM 767 OD2 ASP B 16 -3.192 3.403 -6.249 1.00 0.00 O ATOM 0 H ASP B 16 -4.880 5.540 -2.905 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.886 2.901 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.459 5.119 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.299 4.361 -3.362 1.00 0.00 H new ATOM 772 N ILE B 17 -3.337 3.397 -0.998 1.00 0.00 N ATOM 773 CA ILE B 17 -2.768 2.724 0.166 1.00 0.00 C ATOM 774 C ILE B 17 -3.791 1.759 0.766 1.00 0.00 C ATOM 775 O ILE B 17 -3.651 0.540 0.674 1.00 0.00 O ATOM 776 CB ILE B 17 -2.340 3.771 1.225 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.964 4.325 0.848 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.263 3.155 2.638 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.728 5.647 1.581 1.00 0.00 C ATOM 0 H ILE B 17 -3.415 4.410 -0.907 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.891 2.157 -0.146 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.088 4.564 1.241 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.187 3.607 1.111 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.905 4.479 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.960 3.920 3.353 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.241 2.764 2.918 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.534 2.345 2.643 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.252 6.042 1.313 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.498 6.364 1.296 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.769 5.479 2.657 1.00 0.00 H new ATOM 791 N ASP B 18 -4.803 2.336 1.415 1.00 0.00 N ATOM 792 CA ASP B 18 -5.843 1.547 2.077 1.00 0.00 C ATOM 793 C ASP B 18 -6.340 0.400 1.189 1.00 0.00 C ATOM 794 O ASP B 18 -6.750 -0.651 1.681 1.00 0.00 O ATOM 795 CB ASP B 18 -7.030 2.444 2.449 1.00 0.00 C ATOM 796 CG ASP B 18 -6.895 2.904 3.897 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.790 3.243 4.290 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.897 2.910 4.592 1.00 0.00 O ATOM 0 H ASP B 18 -4.925 3.345 1.496 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.401 1.118 2.976 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.067 3.308 1.785 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.965 1.900 2.316 1.00 0.00 H new ATOM 803 N ASP B 19 -6.288 0.614 -0.122 1.00 0.00 N ATOM 804 CA ASP B 19 -6.727 -0.409 -1.067 1.00 0.00 C ATOM 805 C ASP B 19 -5.703 -1.538 -1.130 1.00 0.00 C ATOM 806 O ASP B 19 -6.056 -2.717 -1.184 1.00 0.00 O ATOM 807 CB ASP B 19 -6.898 0.188 -2.465 1.00 0.00 C ATOM 808 CG ASP B 19 -7.705 -0.772 -3.333 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.874 -0.965 -3.038 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.145 -1.299 -4.278 1.00 0.00 O ATOM 0 H ASP B 19 -5.951 1.476 -0.551 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.685 -0.800 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.405 1.151 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.923 0.370 -2.916 1.00 0.00 H new ATOM 815 N LEU B 20 -4.428 -1.160 -1.115 1.00 0.00 N ATOM 816 CA LEU B 20 -3.347 -2.141 -1.167 1.00 0.00 C ATOM 817 C LEU B 20 -3.288 -2.933 0.135 1.00 0.00 C ATOM 818 O LEU B 20 -3.144 -4.156 0.129 1.00 0.00 O ATOM 819 CB LEU B 20 -2.002 -1.444 -1.383 1.00 0.00 C ATOM 820 CG LEU B 20 -1.942 -0.876 -2.801 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.844 0.187 -2.879 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.628 -2.004 -3.788 1.00 0.00 C ATOM 0 H LEU B 20 -4.119 -0.189 -1.068 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.545 -2.817 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.874 -0.644 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.186 -2.150 -1.228 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.902 -0.426 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.801 0.592 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.064 0.990 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.116 -0.263 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.585 -1.601 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.667 -2.452 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.408 -2.763 -3.733 1.00 0.00 H new ATOM 834 N LYS B 21 -3.401 -2.220 1.252 1.00 0.00 N ATOM 835 CA LYS B 21 -3.357 -2.860 2.564 1.00 0.00 C ATOM 836 C LYS B 21 -4.500 -3.859 2.712 1.00 0.00 C ATOM 837 O LYS B 21 -4.348 -4.907 3.338 1.00 0.00 O ATOM 838 CB LYS B 21 -3.465 -1.811 3.674 1.00 0.00 C ATOM 839 CG LYS B 21 -2.132 -1.076 3.813 1.00 0.00 C ATOM 840 CD LYS B 21 -1.187 -1.893 4.695 1.00 0.00 C ATOM 841 CE LYS B 21 -1.333 -1.449 6.151 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.610 -0.161 6.353 1.00 0.00 N ATOM 0 H LYS B 21 -3.523 -1.208 1.276 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.405 -3.384 2.649 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.261 -1.103 3.443 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.728 -2.290 4.617 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.686 -0.921 2.830 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.292 -0.090 4.249 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.415 -2.955 4.603 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.157 -1.758 4.365 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -2.387 -1.330 6.402 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.931 -2.212 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -0.459 -0.003 7.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.309 -0.199 5.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.175 0.619 5.962 1.00 0.00 H new ATOM 856 N ARG B 22 -5.646 -3.520 2.129 1.00 0.00 N ATOM 857 CA ARG B 22 -6.813 -4.396 2.200 1.00 0.00 C ATOM 858 C ARG B 22 -6.516 -5.738 1.538 1.00 0.00 C ATOM 859 O ARG B 22 -6.668 -6.795 2.150 1.00 0.00 O ATOM 860 CB ARG B 22 -8.011 -3.749 1.501 1.00 0.00 C ATOM 861 CG ARG B 22 -8.706 -2.787 2.465 1.00 0.00 C ATOM 862 CD ARG B 22 -9.783 -2.000 1.713 1.00 0.00 C ATOM 863 NE ARG B 22 -10.405 -1.006 2.593 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.252 -1.353 3.573 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.565 -2.609 3.791 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.776 -0.423 4.324 1.00 0.00 N ATOM 0 H ARG B 22 -5.792 -2.656 1.608 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.049 -4.556 3.252 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.680 -3.213 0.611 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.710 -4.517 1.169 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.155 -3.342 3.289 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.978 -2.103 2.901 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.341 -1.503 0.849 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.542 -2.684 1.334 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.187 -0.019 2.455 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.162 -3.343 3.209 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.212 -2.851 4.542 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.540 0.556 4.163 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.422 -0.675 5.072 1.00 0.00 H new ATOM 880 N GLN B 23 -6.091 -5.682 0.279 1.00 0.00 N ATOM 881 CA GLN B 23 -5.774 -6.901 -0.461 1.00 0.00 C ATOM 882 C GLN B 23 -4.569 -7.602 0.157 1.00 0.00 C ATOM 883 O GLN B 23 -4.585 -8.812 0.384 1.00 0.00 O ATOM 884 CB GLN B 23 -5.467 -6.573 -1.925 1.00 0.00 C ATOM 885 CG GLN B 23 -6.756 -6.650 -2.749 1.00 0.00 C ATOM 886 CD GLN B 23 -6.872 -8.030 -3.390 1.00 0.00 C ATOM 887 OE1 GLN B 23 -6.563 -9.088 -2.694 1.00 0.00 O flip ATOM 888 NE2 GLN B 23 -7.256 -8.148 -4.554 1.00 0.00 N flip ATOM 0 H GLN B 23 -5.959 -4.817 -0.246 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.640 -7.561 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.033 -5.576 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.729 -7.273 -2.318 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.619 -6.460 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.754 -5.879 -3.519 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.498 -7.320 -5.098 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.333 -9.074 -4.974 1.00 0.00 H new ATOM 897 N ASN B 24 -3.522 -6.827 0.425 1.00 0.00 N ATOM 898 CA ASN B 24 -2.307 -7.381 1.017 1.00 0.00 C ATOM 899 C ASN B 24 -2.598 -7.964 2.397 1.00 0.00 C ATOM 900 O ASN B 24 -1.960 -8.924 2.826 1.00 0.00 O ATOM 901 CB ASN B 24 -1.236 -6.296 1.151 1.00 0.00 C ATOM 902 CG ASN B 24 -0.916 -5.721 -0.226 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.724 -5.816 -1.151 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.226 -5.122 -0.418 1.00 0.00 N ATOM 0 H ASN B 24 -3.489 -5.824 0.244 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.946 -8.172 0.360 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.586 -5.505 1.814 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.335 -6.713 1.600 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.450 -4.732 -1.334 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.895 -5.043 0.347 1.00 0.00 H new ATOM 911 N ALA B 25 -3.568 -7.370 3.088 1.00 0.00 N ATOM 912 CA ALA B 25 -3.937 -7.838 4.424 1.00 0.00 C ATOM 913 C ALA B 25 -4.420 -9.285 4.370 1.00 0.00 C ATOM 914 O ALA B 25 -3.853 -10.167 5.015 1.00 0.00 O ATOM 915 CB ALA B 25 -5.048 -6.965 5.012 1.00 0.00 C ATOM 0 H ALA B 25 -4.108 -6.573 2.751 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.052 -7.773 5.056 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.309 -7.329 6.006 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.702 -5.934 5.082 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.926 -7.010 4.367 1.00 0.00 H new ATOM 921 N LEU B 26 -5.476 -9.517 3.597 1.00 0.00 N ATOM 922 CA LEU B 26 -6.032 -10.861 3.466 1.00 0.00 C ATOM 923 C LEU B 26 -5.018 -11.799 2.816 1.00 0.00 C ATOM 924 O LEU B 26 -4.999 -13.000 3.090 1.00 0.00 O ATOM 925 CB LEU B 26 -7.302 -10.834 2.614 1.00 0.00 C ATOM 926 CG LEU B 26 -8.506 -10.508 3.502 1.00 0.00 C ATOM 927 CD1 LEU B 26 -8.525 -9.007 3.802 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.795 -10.899 2.776 1.00 0.00 C ATOM 0 H LEU B 26 -5.961 -8.801 3.056 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.272 -11.223 4.466 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.207 -10.089 1.824 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.446 -11.798 2.127 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.432 -11.065 4.436 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -9.382 -8.773 4.434 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -7.606 -8.727 4.318 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -8.601 -8.450 2.868 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.653 -10.667 3.407 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.870 -10.341 1.843 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.781 -11.967 2.560 1.00 0.00 H new ATOM 940 N LEU B 27 -4.177 -11.241 1.950 1.00 0.00 N ATOM 941 CA LEU B 27 -3.165 -12.037 1.263 1.00 0.00 C ATOM 942 C LEU B 27 -2.201 -12.667 2.265 1.00 0.00 C ATOM 943 O LEU B 27 -2.168 -13.885 2.435 1.00 0.00 O ATOM 944 CB LEU B 27 -2.370 -11.167 0.288 1.00 0.00 C ATOM 945 CG LEU B 27 -3.094 -11.114 -1.058 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.601 -9.907 -1.857 1.00 0.00 C ATOM 947 CD2 LEU B 27 -2.804 -12.396 -1.842 1.00 0.00 C ATOM 0 H LEU B 27 -4.175 -10.250 1.709 1.00 0.00 H new ATOM 0 HA LEU B 27 -3.679 -12.825 0.713 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.257 -10.161 0.692 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.367 -11.573 0.157 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.167 -11.024 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.117 -9.870 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.806 -8.993 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.528 -9.996 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.319 -12.360 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -1.731 -12.485 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.155 -13.257 -1.274 1.00 0.00 H new ATOM 959 N GLU B 28 -1.415 -11.820 2.925 1.00 0.00 N ATOM 960 CA GLU B 28 -0.447 -12.293 3.906 1.00 0.00 C ATOM 961 C GLU B 28 -1.141 -13.065 5.029 1.00 0.00 C ATOM 962 O GLU B 28 -0.581 -14.005 5.593 1.00 0.00 O ATOM 963 CB GLU B 28 0.309 -11.107 4.504 1.00 0.00 C ATOM 964 CG GLU B 28 -0.685 -10.112 5.111 1.00 0.00 C ATOM 965 CD GLU B 28 -0.175 -8.689 4.904 1.00 0.00 C ATOM 966 OE1 GLU B 28 0.273 -8.394 3.808 1.00 0.00 O ATOM 967 OE2 GLU B 28 -0.238 -7.915 5.845 1.00 0.00 O ATOM 0 H GLU B 28 -1.430 -10.808 2.798 1.00 0.00 H new ATOM 0 HA GLU B 28 0.251 -12.960 3.400 1.00 0.00 H new ATOM 0 HB2 GLU B 28 1.003 -11.455 5.269 1.00 0.00 H new ATOM 0 HB3 GLU B 28 0.904 -10.617 3.733 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.663 -10.230 4.645 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.812 -10.312 6.175 1.00 0.00 H new ATOM 974 N GLN B 29 -2.366 -12.655 5.342 1.00 0.00 N ATOM 975 CA GLN B 29 -3.132 -13.312 6.400 1.00 0.00 C ATOM 976 C GLN B 29 -3.360 -14.783 6.062 1.00 0.00 C ATOM 977 O GLN B 29 -3.429 -15.634 6.948 1.00 0.00 O ATOM 978 CB GLN B 29 -4.488 -12.628 6.583 1.00 0.00 C ATOM 979 CG GLN B 29 -5.178 -13.185 7.830 1.00 0.00 C ATOM 980 CD GLN B 29 -6.129 -12.137 8.398 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.330 -12.167 8.129 1.00 0.00 O ATOM 982 NE2 GLN B 29 -5.659 -11.202 9.176 1.00 0.00 N ATOM 0 H GLN B 29 -2.847 -11.880 4.885 1.00 0.00 H new ATOM 0 HA GLN B 29 -2.559 -13.237 7.324 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -4.353 -11.551 6.680 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -5.112 -12.794 5.705 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.728 -14.092 7.579 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -4.434 -13.459 8.578 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.664 -11.177 9.399 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -6.286 -10.496 9.561 1.00 0.00 H new ATOM 991 N GLN B 30 -3.475 -15.070 4.769 1.00 0.00 N ATOM 992 CA GLN B 30 -3.695 -16.444 4.322 1.00 0.00 C ATOM 993 C GLN B 30 -2.371 -17.097 3.937 1.00 0.00 C ATOM 994 O GLN B 30 -2.164 -18.291 4.158 1.00 0.00 O ATOM 995 CB GLN B 30 -4.635 -16.471 3.114 1.00 0.00 C ATOM 996 CG GLN B 30 -5.403 -17.792 3.093 1.00 0.00 C ATOM 997 CD GLN B 30 -6.786 -17.568 2.493 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.922 -16.921 1.454 1.00 0.00 O ATOM 999 NE2 GLN B 30 -7.833 -18.067 3.091 1.00 0.00 N ATOM 0 H GLN B 30 -3.421 -14.380 4.019 1.00 0.00 H new ATOM 0 HA GLN B 30 -4.147 -16.997 5.145 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -5.332 -15.634 3.164 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -4.064 -16.356 2.193 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -4.857 -18.533 2.508 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -5.494 -18.188 4.104 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.722 -18.603 3.952 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.763 -17.921 2.698 1.00 0.00 H new ATOM 1008 N VAL B 31 -1.479 -16.300 3.359 1.00 0.00 N ATOM 1009 CA VAL B 31 -0.174 -16.807 2.943 1.00 0.00 C ATOM 1010 C VAL B 31 0.675 -17.148 4.166 1.00 0.00 C ATOM 1011 O VAL B 31 1.455 -18.100 4.153 1.00 0.00 O ATOM 1012 CB VAL B 31 0.563 -15.765 2.093 1.00 0.00 C ATOM 1013 CG1 VAL B 31 1.866 -16.362 1.554 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.325 -15.345 0.915 1.00 0.00 C ATOM 0 H VAL B 31 -1.632 -15.310 3.169 1.00 0.00 H new ATOM 0 HA VAL B 31 -0.334 -17.706 2.348 1.00 0.00 H new ATOM 0 HB VAL B 31 0.791 -14.896 2.711 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.385 -15.617 0.951 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.501 -16.661 2.388 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.640 -17.233 0.939 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.199 -14.604 0.311 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.553 -16.217 0.303 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.252 -14.915 1.294 1.00 0.00 H new ATOM 1024 N ARG B 32 0.512 -16.359 5.224 1.00 0.00 N ATOM 1025 CA ARG B 32 1.266 -16.585 6.454 1.00 0.00 C ATOM 1026 C ARG B 32 0.922 -17.946 7.048 1.00 0.00 C ATOM 1027 O ARG B 32 1.769 -18.612 7.646 1.00 0.00 O ATOM 1028 CB ARG B 32 0.952 -15.498 7.484 1.00 0.00 C ATOM 1029 CG ARG B 32 1.913 -15.622 8.667 1.00 0.00 C ATOM 1030 CD ARG B 32 1.213 -15.158 9.945 1.00 0.00 C ATOM 1031 NE ARG B 32 2.183 -14.610 10.898 1.00 0.00 N ATOM 1032 CZ ARG B 32 1.894 -14.452 12.197 1.00 0.00 C ATOM 1033 NH1 ARG B 32 0.721 -14.783 12.679 1.00 0.00 N ATOM 1034 NH2 ARG B 32 2.799 -13.959 12.998 1.00 0.00 N ATOM 0 H ARG B 32 -0.128 -15.566 5.256 1.00 0.00 H new ATOM 0 HA ARG B 32 2.327 -16.554 6.207 1.00 0.00 H new ATOM 0 HB2 ARG B 32 1.045 -14.512 7.028 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.078 -15.594 7.827 1.00 0.00 H new ATOM 0 HG2 ARG B 32 2.242 -16.656 8.775 1.00 0.00 H new ATOM 0 HG3 ARG B 32 2.805 -15.021 8.489 1.00 0.00 H new ATOM 0 HD2 ARG B 32 0.467 -14.401 9.703 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.682 -15.995 10.399 1.00 0.00 H new ATOM 0 HE ARG B 32 3.107 -14.340 10.562 1.00 0.00 H new ATOM 0 HH11 ARG B 32 0.007 -15.169 12.062 1.00 0.00 H new ATOM 0 HH12 ARG B 32 0.523 -14.654 13.671 1.00 0.00 H new ATOM 0 HH21 ARG B 32 3.715 -13.698 12.633 1.00 0.00 H new ATOM 0 HH22 ARG B 32 2.590 -13.834 13.989 1.00 0.00 H new ATOM 1048 N ALA B 33 -0.331 -18.354 6.876 1.00 0.00 N ATOM 1049 CA ALA B 33 -0.782 -19.641 7.398 1.00 0.00 C ATOM 1050 C ALA B 33 -0.351 -20.773 6.471 1.00 0.00 C ATOM 1051 O ALA B 33 -0.060 -21.883 6.916 1.00 0.00 O ATOM 1052 CB ALA B 33 -2.307 -19.661 7.534 1.00 0.00 C ATOM 0 H ALA B 33 -1.047 -17.819 6.384 1.00 0.00 H new ATOM 0 HA ALA B 33 -0.329 -19.782 8.379 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -2.625 -20.628 7.924 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -2.622 -18.872 8.218 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.762 -19.497 6.557 1.00 0.00 H new ATOM 1058 N LEU B 34 -0.314 -20.476 5.175 1.00 0.00 N ATOM 1059 CA LEU B 34 0.083 -21.476 4.187 1.00 0.00 C ATOM 1060 C LEU B 34 1.586 -21.403 3.934 1.00 0.00 C ATOM 1061 O LEU B 34 2.303 -20.659 4.600 1.00 0.00 O ATOM 1062 CB LEU B 34 -0.659 -21.247 2.862 1.00 0.00 C ATOM 1063 CG LEU B 34 -1.982 -22.027 2.841 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -1.705 -23.528 2.952 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -2.871 -21.583 4.009 1.00 0.00 C ATOM 0 H LEU B 34 -0.551 -19.563 4.787 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.174 -22.460 4.580 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.856 -20.183 2.728 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -0.031 -21.562 2.028 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.495 -21.824 1.901 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.648 -24.074 2.936 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.087 -23.847 2.113 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.182 -23.733 3.886 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.807 -22.141 3.986 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.357 -21.775 4.951 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.082 -20.517 3.921 1.00 0.00 H new HETATM 1077 N NH2 B 35 2.112 -22.143 2.995 1.00 0.00 N TER 1080 NH2 B 35