USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.0795 (180deg=-0.582) USER MOD Single : A 12 SER OG : rot 86:sc= 1.01 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -149:sc= -0.128 (180deg=-0.7) USER MOD Single : A 33 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.13) USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= -4.33! (180deg=-6.92!) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0583 (180deg=-0.32) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -114:sc= 0.0412 (180deg=0) USER MOD Single : B 2 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.054) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 142:sc= -1.32 (180deg=-3.61!) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 21 THR OG1 : rot 76:sc= 0.229 USER MOD Single : B 24 SER OG : rot -22:sc= 0.868 USER MOD Single : B 30 MET CE :methyl -143:sc= -0.417 (180deg=-1.02) USER MOD Single : B 33 GLN : amide:sc= -0.867 K(o=-0.87,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 169:sc= -0.0165 (180deg=-0.221) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.925 -24.640 8.226 1.00 0.00 N ATOM 2 CA GLY A 1 11.905 -26.029 8.761 1.00 0.00 C ATOM 3 C GLY A 1 11.829 -27.073 7.665 1.00 0.00 C ATOM 4 O GLY A 1 12.741 -27.191 6.846 1.00 0.00 O ATOM 0 H1 GLY A 1 11.977 -23.965 9.015 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.754 -24.517 7.610 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.058 -24.466 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.802 -26.198 9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.051 -26.145 9.429 1.00 0.00 H new ATOM 10 N HIS A 2 10.739 -27.833 7.650 1.00 0.00 N ATOM 11 CA HIS A 2 10.547 -28.876 6.648 1.00 0.00 C ATOM 12 C HIS A 2 9.731 -28.351 5.471 1.00 0.00 C ATOM 13 O HIS A 2 10.252 -28.180 4.368 1.00 0.00 O ATOM 14 CB HIS A 2 9.847 -30.087 7.268 1.00 0.00 C ATOM 15 CG HIS A 2 10.553 -30.637 8.469 1.00 0.00 C ATOM 16 ND1 HIS A 2 10.018 -30.597 9.739 1.00 0.00 N ATOM 17 CD2 HIS A 2 11.757 -31.245 8.589 1.00 0.00 C ATOM 18 CE1 HIS A 2 10.862 -31.156 10.589 1.00 0.00 C ATOM 19 NE2 HIS A 2 11.924 -31.558 9.916 1.00 0.00 N ATOM 0 H HIS A 2 9.975 -27.746 8.320 1.00 0.00 H new ATOM 0 HA HIS A 2 11.528 -29.181 6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 2 8.833 -29.805 7.551 1.00 0.00 H new ATOM 0 HB3 HIS A 2 9.762 -30.871 6.516 1.00 0.00 H new ATOM 0 HD2 HIS A 2 12.456 -31.446 7.790 1.00 0.00 H new ATOM 0 HE1 HIS A 2 10.709 -31.265 11.652 1.00 0.00 H new ATOM 0 HE2 HIS A 2 12.737 -32.026 10.317 1.00 0.00 H new ATOM 28 N SER A 3 8.449 -28.097 5.715 1.00 0.00 N ATOM 29 CA SER A 3 7.556 -27.591 4.680 1.00 0.00 C ATOM 30 C SER A 3 6.802 -26.361 5.171 1.00 0.00 C ATOM 31 O SER A 3 6.411 -26.285 6.336 1.00 0.00 O ATOM 32 CB SER A 3 6.564 -28.676 4.259 1.00 0.00 C ATOM 33 OG SER A 3 7.238 -29.809 3.738 1.00 0.00 O ATOM 0 H SER A 3 8.005 -28.234 6.623 1.00 0.00 H new ATOM 0 HA SER A 3 8.160 -27.307 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.958 -28.971 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.882 -28.278 3.508 1.00 0.00 H new ATOM 0 HG SER A 3 6.582 -30.489 3.478 1.00 0.00 H new ATOM 39 N LEU A 4 6.600 -25.400 4.275 1.00 0.00 N ATOM 40 CA LEU A 4 5.890 -24.173 4.619 1.00 0.00 C ATOM 41 C LEU A 4 4.418 -24.263 4.209 1.00 0.00 C ATOM 42 O LEU A 4 4.096 -24.192 3.022 1.00 0.00 O ATOM 43 CB LEU A 4 6.546 -22.969 3.938 1.00 0.00 C ATOM 44 CG LEU A 4 5.911 -21.615 4.262 1.00 0.00 C ATOM 45 CD1 LEU A 4 6.039 -21.303 5.745 1.00 0.00 C ATOM 46 CD2 LEU A 4 6.549 -20.515 3.427 1.00 0.00 C ATOM 0 H LEU A 4 6.917 -25.447 3.307 1.00 0.00 H new ATOM 0 HA LEU A 4 5.943 -24.044 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.597 -22.938 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.514 -23.119 2.859 1.00 0.00 H new ATOM 0 HG LEU A 4 4.851 -21.665 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.581 -20.336 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.535 -22.076 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.093 -21.273 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.086 -19.559 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.616 -20.467 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.403 -20.730 2.369 1.00 0.00 H new ATOM 58 N PRO A 5 3.500 -24.423 5.184 1.00 0.00 N ATOM 59 CA PRO A 5 2.062 -24.522 4.904 1.00 0.00 C ATOM 60 C PRO A 5 1.502 -23.235 4.310 1.00 0.00 C ATOM 61 O PRO A 5 1.976 -22.141 4.617 1.00 0.00 O ATOM 62 CB PRO A 5 1.442 -24.788 6.280 1.00 0.00 C ATOM 63 CG PRO A 5 2.442 -24.273 7.255 1.00 0.00 C ATOM 64 CD PRO A 5 3.785 -24.519 6.628 1.00 0.00 C ATOM 0 HA PRO A 5 1.844 -25.298 4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.485 -24.277 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.254 -25.851 6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.289 -23.211 7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.357 -24.787 8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.520 -23.779 6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.183 -25.498 6.897 1.00 0.00 H new ATOM 72 N PHE A 6 0.489 -23.373 3.458 1.00 0.00 N ATOM 73 CA PHE A 6 -0.138 -22.223 2.818 1.00 0.00 C ATOM 74 C PHE A 6 -0.814 -21.322 3.849 1.00 0.00 C ATOM 75 O PHE A 6 -1.143 -20.173 3.560 1.00 0.00 O ATOM 76 CB PHE A 6 -1.157 -22.680 1.770 1.00 0.00 C ATOM 77 CG PHE A 6 -2.333 -23.421 2.347 1.00 0.00 C ATOM 78 CD1 PHE A 6 -2.229 -24.763 2.677 1.00 0.00 C ATOM 79 CD2 PHE A 6 -3.540 -22.774 2.553 1.00 0.00 C ATOM 80 CE1 PHE A 6 -3.309 -25.445 3.204 1.00 0.00 C ATOM 81 CE2 PHE A 6 -4.623 -23.451 3.080 1.00 0.00 C ATOM 82 CZ PHE A 6 -4.508 -24.789 3.405 1.00 0.00 C ATOM 0 H PHE A 6 0.085 -24.272 3.195 1.00 0.00 H new ATOM 0 HA PHE A 6 0.645 -21.649 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.520 -21.808 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.656 -23.321 1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.294 -25.281 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.636 -21.729 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.216 -26.490 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.558 -22.935 3.238 1.00 0.00 H new ATOM 0 HZ PHE A 6 -5.354 -25.321 3.815 1.00 0.00 H new ATOM 92 N LYS A 7 -1.022 -21.855 5.049 1.00 0.00 N ATOM 93 CA LYS A 7 -1.661 -21.101 6.121 1.00 0.00 C ATOM 94 C LYS A 7 -0.895 -19.816 6.425 1.00 0.00 C ATOM 95 O LYS A 7 -1.477 -18.733 6.471 1.00 0.00 O ATOM 96 CB LYS A 7 -1.754 -21.953 7.389 1.00 0.00 C ATOM 97 CG LYS A 7 -2.661 -23.166 7.252 1.00 0.00 C ATOM 98 CD LYS A 7 -4.103 -22.757 7.000 1.00 0.00 C ATOM 99 CE LYS A 7 -5.051 -23.933 7.169 1.00 0.00 C ATOM 100 NZ LYS A 7 -5.021 -24.472 8.558 1.00 0.00 N ATOM 0 H LYS A 7 -0.757 -22.807 5.303 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.664 -20.836 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.754 -22.289 7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.117 -21.331 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.311 -23.793 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.605 -23.768 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.383 -21.960 7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.197 -22.354 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.066 -23.620 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.781 -24.722 6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.894 -25.007 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.200 -25.100 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.949 -23.685 9.234 1.00 0.00 H new ATOM 114 N VAL A 8 0.412 -19.946 6.629 1.00 0.00 N ATOM 115 CA VAL A 8 1.254 -18.798 6.939 1.00 0.00 C ATOM 116 C VAL A 8 1.458 -17.900 5.721 1.00 0.00 C ATOM 117 O VAL A 8 1.519 -16.677 5.849 1.00 0.00 O ATOM 118 CB VAL A 8 2.632 -19.245 7.468 1.00 0.00 C ATOM 119 CG1 VAL A 8 3.473 -18.041 7.865 1.00 0.00 C ATOM 120 CG2 VAL A 8 2.470 -20.200 8.641 1.00 0.00 C ATOM 0 H VAL A 8 0.910 -20.835 6.585 1.00 0.00 H new ATOM 0 HA VAL A 8 0.734 -18.231 7.711 1.00 0.00 H new ATOM 0 HB VAL A 8 3.152 -19.772 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.441 -18.379 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.621 -17.398 6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.961 -17.481 8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.453 -20.504 9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.928 -19.701 9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.913 -21.080 8.320 1.00 0.00 H new ATOM 130 N VAL A 9 1.559 -18.509 4.544 1.00 0.00 N ATOM 131 CA VAL A 9 1.767 -17.754 3.310 1.00 0.00 C ATOM 132 C VAL A 9 0.603 -16.809 3.027 1.00 0.00 C ATOM 133 O VAL A 9 0.803 -15.616 2.801 1.00 0.00 O ATOM 134 CB VAL A 9 1.947 -18.683 2.093 1.00 0.00 C ATOM 135 CG1 VAL A 9 2.660 -17.953 0.968 1.00 0.00 C ATOM 136 CG2 VAL A 9 2.703 -19.945 2.474 1.00 0.00 C ATOM 0 H VAL A 9 1.501 -19.519 4.417 1.00 0.00 H new ATOM 0 HA VAL A 9 2.679 -17.176 3.461 1.00 0.00 H new ATOM 0 HB VAL A 9 0.957 -18.977 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.779 -18.624 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.072 -17.086 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.641 -17.625 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.815 -20.581 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.688 -19.678 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.149 -20.483 3.243 1.00 0.00 H new ATOM 146 N VAL A 10 -0.612 -17.351 3.040 1.00 0.00 N ATOM 147 CA VAL A 10 -1.811 -16.562 2.774 1.00 0.00 C ATOM 148 C VAL A 10 -1.948 -15.395 3.749 1.00 0.00 C ATOM 149 O VAL A 10 -2.055 -14.242 3.334 1.00 0.00 O ATOM 150 CB VAL A 10 -3.084 -17.432 2.844 1.00 0.00 C ATOM 151 CG1 VAL A 10 -4.333 -16.579 2.682 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.046 -18.524 1.786 1.00 0.00 C ATOM 0 H VAL A 10 -0.792 -18.336 3.233 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.702 -16.166 1.764 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.117 -17.903 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.217 -17.215 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.372 -15.836 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.306 -16.074 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.952 -19.126 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.983 -18.070 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.176 -19.159 1.950 1.00 0.00 H new ATOM 162 N ILE A 11 -1.946 -15.699 5.043 1.00 0.00 N ATOM 163 CA ILE A 11 -2.080 -14.671 6.071 1.00 0.00 C ATOM 164 C ILE A 11 -1.016 -13.585 5.925 1.00 0.00 C ATOM 165 O ILE A 11 -1.280 -12.410 6.182 1.00 0.00 O ATOM 166 CB ILE A 11 -1.997 -15.278 7.486 1.00 0.00 C ATOM 167 CG1 ILE A 11 -3.091 -16.334 7.672 1.00 0.00 C ATOM 168 CG2 ILE A 11 -2.120 -14.188 8.542 1.00 0.00 C ATOM 169 CD1 ILE A 11 -2.996 -17.085 8.985 1.00 0.00 C ATOM 0 H ILE A 11 -1.853 -16.648 5.405 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.063 -14.220 5.933 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.026 -15.759 7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.065 -15.850 7.610 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.038 -17.048 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.059 -14.634 9.535 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.311 -13.468 8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.078 -13.680 8.431 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.803 -17.815 9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.036 -17.599 9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.080 -16.382 9.813 1.00 0.00 H new ATOM 181 N SER A 12 0.184 -13.979 5.513 1.00 0.00 N ATOM 182 CA SER A 12 1.280 -13.028 5.338 1.00 0.00 C ATOM 183 C SER A 12 1.041 -12.128 4.130 1.00 0.00 C ATOM 184 O SER A 12 1.262 -10.919 4.192 1.00 0.00 O ATOM 185 CB SER A 12 2.610 -13.768 5.181 1.00 0.00 C ATOM 186 OG SER A 12 2.989 -14.400 6.391 1.00 0.00 O ATOM 0 H SER A 12 0.424 -14.946 5.294 1.00 0.00 H new ATOM 0 HA SER A 12 1.323 -12.402 6.229 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.524 -14.513 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.386 -13.066 4.875 1.00 0.00 H new ATOM 0 HG SER A 12 2.569 -15.284 6.444 1.00 0.00 H new ATOM 192 N ALA A 13 0.590 -12.727 3.032 1.00 0.00 N ATOM 193 CA ALA A 13 0.325 -11.983 1.806 1.00 0.00 C ATOM 194 C ALA A 13 -0.794 -10.969 2.004 1.00 0.00 C ATOM 195 O ALA A 13 -0.637 -9.787 1.698 1.00 0.00 O ATOM 196 CB ALA A 13 -0.026 -12.940 0.677 1.00 0.00 C ATOM 0 H ALA A 13 0.400 -13.727 2.967 1.00 0.00 H new ATOM 0 HA ALA A 13 1.230 -11.436 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.222 -12.373 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.806 -13.623 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.914 -13.511 0.947 1.00 0.00 H new ATOM 202 N ILE A 14 -1.926 -11.441 2.517 1.00 0.00 N ATOM 203 CA ILE A 14 -3.078 -10.583 2.755 1.00 0.00 C ATOM 204 C ILE A 14 -2.720 -9.424 3.680 1.00 0.00 C ATOM 205 O ILE A 14 -3.018 -8.268 3.381 1.00 0.00 O ATOM 206 CB ILE A 14 -4.251 -11.373 3.367 1.00 0.00 C ATOM 207 CG1 ILE A 14 -4.672 -12.505 2.426 1.00 0.00 C ATOM 208 CG2 ILE A 14 -5.425 -10.447 3.651 1.00 0.00 C ATOM 209 CD1 ILE A 14 -5.717 -13.430 3.013 1.00 0.00 C ATOM 0 H ILE A 14 -2.069 -12.417 2.776 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.383 -10.188 1.786 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.925 -11.810 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.060 -12.073 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.792 -13.089 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.245 -11.021 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.116 -9.672 4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.756 -9.984 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.964 -14.206 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.326 -13.892 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.614 -12.859 3.254 1.00 0.00 H new ATOM 221 N LEU A 15 -2.081 -9.742 4.803 1.00 0.00 N ATOM 222 CA LEU A 15 -1.683 -8.728 5.772 1.00 0.00 C ATOM 223 C LEU A 15 -0.866 -7.628 5.103 1.00 0.00 C ATOM 224 O LEU A 15 -1.178 -6.443 5.234 1.00 0.00 O ATOM 225 CB LEU A 15 -0.873 -9.361 6.906 1.00 0.00 C ATOM 226 CG LEU A 15 -0.317 -8.375 7.937 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.448 -7.676 8.678 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.605 -9.091 8.915 1.00 0.00 C ATOM 0 H LEU A 15 -1.828 -10.695 5.063 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.588 -8.285 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.504 -10.085 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.041 -9.916 6.472 1.00 0.00 H new ATOM 0 HG LEU A 15 0.262 -7.617 7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.031 -6.980 9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.066 -7.129 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.058 -8.418 9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.991 -8.376 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.049 -9.871 9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.436 -9.540 8.370 1.00 0.00 H new ATOM 240 N ALA A 16 0.178 -8.028 4.385 1.00 0.00 N ATOM 241 CA ALA A 16 1.039 -7.079 3.692 1.00 0.00 C ATOM 242 C ALA A 16 0.249 -6.273 2.669 1.00 0.00 C ATOM 243 O ALA A 16 0.573 -5.121 2.382 1.00 0.00 O ATOM 244 CB ALA A 16 2.191 -7.808 3.022 1.00 0.00 C ATOM 0 H ALA A 16 0.448 -9.005 4.268 1.00 0.00 H new ATOM 0 HA ALA A 16 1.444 -6.384 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.827 -7.088 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.776 -8.335 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.798 -8.525 2.301 1.00 0.00 H new ATOM 250 N LEU A 17 -0.788 -6.891 2.113 1.00 0.00 N ATOM 251 CA LEU A 17 -1.630 -6.232 1.125 1.00 0.00 C ATOM 252 C LEU A 17 -2.504 -5.169 1.786 1.00 0.00 C ATOM 253 O LEU A 17 -2.834 -4.151 1.176 1.00 0.00 O ATOM 254 CB LEU A 17 -2.504 -7.263 0.407 1.00 0.00 C ATOM 255 CG LEU A 17 -3.249 -6.746 -0.826 1.00 0.00 C ATOM 256 CD1 LEU A 17 -2.266 -6.291 -1.895 1.00 0.00 C ATOM 257 CD2 LEU A 17 -4.172 -7.822 -1.374 1.00 0.00 C ATOM 0 H LEU A 17 -1.064 -7.848 2.331 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.987 -5.743 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.875 -8.101 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.235 -7.652 1.116 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.853 -5.888 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.815 -5.927 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.642 -5.490 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.635 -7.130 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.695 -7.440 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.585 -8.697 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.898 -8.101 -0.611 1.00 0.00 H new ATOM 269 N VAL A 18 -2.876 -5.414 3.041 1.00 0.00 N ATOM 270 CA VAL A 18 -3.708 -4.480 3.791 1.00 0.00 C ATOM 271 C VAL A 18 -2.917 -3.241 4.200 1.00 0.00 C ATOM 272 O VAL A 18 -3.392 -2.115 4.048 1.00 0.00 O ATOM 273 CB VAL A 18 -4.301 -5.142 5.053 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.062 -4.123 5.890 1.00 0.00 C ATOM 275 CG2 VAL A 18 -5.205 -6.302 4.671 1.00 0.00 C ATOM 0 H VAL A 18 -2.613 -6.253 3.559 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.523 -4.183 3.131 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.478 -5.529 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.471 -4.611 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.385 -3.326 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.875 -3.701 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.614 -6.757 5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.021 -5.937 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.630 -7.045 4.119 1.00 0.00 H new ATOM 285 N VAL A 19 -1.709 -3.454 4.718 1.00 0.00 N ATOM 286 CA VAL A 19 -0.862 -2.349 5.151 1.00 0.00 C ATOM 287 C VAL A 19 -0.468 -1.461 3.975 1.00 0.00 C ATOM 288 O VAL A 19 -0.271 -0.258 4.141 1.00 0.00 O ATOM 289 CB VAL A 19 0.413 -2.850 5.859 1.00 0.00 C ATOM 290 CG1 VAL A 19 0.057 -3.612 7.125 1.00 0.00 C ATOM 291 CG2 VAL A 19 1.246 -3.713 4.923 1.00 0.00 C ATOM 0 H VAL A 19 -1.298 -4.378 4.847 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.449 -1.766 5.860 1.00 0.00 H new ATOM 0 HB VAL A 19 1.011 -1.983 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.970 -3.958 7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.489 -2.956 7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.566 -4.470 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.140 -4.055 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.660 -4.575 4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.536 -3.128 4.050 1.00 0.00 H new ATOM 301 N LEU A 20 -0.353 -2.055 2.788 1.00 0.00 N ATOM 302 CA LEU A 20 0.010 -1.302 1.591 1.00 0.00 C ATOM 303 C LEU A 20 -1.009 -0.193 1.348 1.00 0.00 C ATOM 304 O LEU A 20 -0.652 0.927 0.979 1.00 0.00 O ATOM 305 CB LEU A 20 0.090 -2.233 0.374 1.00 0.00 C ATOM 306 CG LEU A 20 0.994 -1.763 -0.779 1.00 0.00 C ATOM 307 CD1 LEU A 20 0.393 -0.562 -1.490 1.00 0.00 C ATOM 308 CD2 LEU A 20 2.394 -1.435 -0.274 1.00 0.00 C ATOM 0 H LEU A 20 -0.505 -3.051 2.631 1.00 0.00 H new ATOM 0 HA LEU A 20 0.992 -0.853 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.442 -3.208 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.918 -2.375 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 20 1.069 -2.581 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.053 -0.251 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.581 -0.831 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.276 0.259 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.014 -1.105 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.335 -0.641 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.836 -2.324 0.177 1.00 0.00 H new ATOM 320 N THR A 21 -2.281 -0.514 1.567 1.00 0.00 N ATOM 321 CA THR A 21 -3.358 0.450 1.388 1.00 0.00 C ATOM 322 C THR A 21 -3.315 1.514 2.480 1.00 0.00 C ATOM 323 O THR A 21 -3.653 2.675 2.248 1.00 0.00 O ATOM 324 CB THR A 21 -4.739 -0.239 1.408 1.00 0.00 C ATOM 325 OG1 THR A 21 -4.794 -1.255 0.398 1.00 0.00 O ATOM 326 CG2 THR A 21 -5.855 0.769 1.179 1.00 0.00 C ATOM 0 H THR A 21 -2.590 -1.438 1.870 1.00 0.00 H new ATOM 0 HA THR A 21 -3.213 0.919 0.415 1.00 0.00 H new ATOM 0 HB THR A 21 -4.878 -0.692 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.673 -1.689 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.817 0.257 1.198 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.830 1.524 1.965 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.718 1.249 0.210 1.00 0.00 H new ATOM 334 N ILE A 22 -2.892 1.106 3.674 1.00 0.00 N ATOM 335 CA ILE A 22 -2.796 2.019 4.804 1.00 0.00 C ATOM 336 C ILE A 22 -1.654 3.011 4.606 1.00 0.00 C ATOM 337 O ILE A 22 -1.763 4.178 4.980 1.00 0.00 O ATOM 338 CB ILE A 22 -2.583 1.253 6.126 1.00 0.00 C ATOM 339 CG1 ILE A 22 -3.728 0.262 6.350 1.00 0.00 C ATOM 340 CG2 ILE A 22 -2.476 2.228 7.294 1.00 0.00 C ATOM 341 CD1 ILE A 22 -3.557 -0.600 7.582 1.00 0.00 C ATOM 0 H ILE A 22 -2.611 0.148 3.882 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.739 2.563 4.860 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.649 0.694 6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.664 0.815 6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.814 -0.383 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.326 1.672 8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.632 2.898 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.394 2.812 7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.407 -1.276 7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.639 -1.181 7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.502 0.035 8.466 1.00 0.00 H new ATOM 353 N ILE A 23 -0.559 2.539 4.014 1.00 0.00 N ATOM 354 CA ILE A 23 0.596 3.391 3.762 1.00 0.00 C ATOM 355 C ILE A 23 0.238 4.507 2.785 1.00 0.00 C ATOM 356 O ILE A 23 0.575 5.672 3.001 1.00 0.00 O ATOM 357 CB ILE A 23 1.785 2.591 3.197 1.00 0.00 C ATOM 358 CG1 ILE A 23 2.301 1.593 4.240 1.00 0.00 C ATOM 359 CG2 ILE A 23 2.901 3.533 2.760 1.00 0.00 C ATOM 360 CD1 ILE A 23 2.858 2.243 5.490 1.00 0.00 C ATOM 0 H ILE A 23 -0.449 1.574 3.702 1.00 0.00 H new ATOM 0 HA ILE A 23 0.889 3.819 4.720 1.00 0.00 H new ATOM 0 HB ILE A 23 1.445 2.033 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.488 0.924 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.077 0.977 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.733 2.952 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.528 4.206 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.241 4.116 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.202 1.472 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.694 2.890 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.079 2.836 5.970 1.00 0.00 H new ATOM 372 N SER A 24 -0.448 4.137 1.708 1.00 0.00 N ATOM 373 CA SER A 24 -0.856 5.095 0.686 1.00 0.00 C ATOM 374 C SER A 24 -2.005 5.971 1.175 1.00 0.00 C ATOM 375 O SER A 24 -2.182 7.094 0.707 1.00 0.00 O ATOM 376 CB SER A 24 -1.270 4.362 -0.592 1.00 0.00 C ATOM 377 OG SER A 24 -1.707 5.273 -1.585 1.00 0.00 O ATOM 0 H SER A 24 -0.734 3.176 1.520 1.00 0.00 H new ATOM 0 HA SER A 24 -0.003 5.739 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.428 3.783 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.068 3.655 -0.367 1.00 0.00 H new ATOM 0 HG SER A 24 -1.964 4.779 -2.392 1.00 0.00 H new ATOM 383 N LEU A 25 -2.785 5.449 2.118 1.00 0.00 N ATOM 384 CA LEU A 25 -3.921 6.184 2.664 1.00 0.00 C ATOM 385 C LEU A 25 -3.463 7.436 3.411 1.00 0.00 C ATOM 386 O LEU A 25 -4.023 8.518 3.226 1.00 0.00 O ATOM 387 CB LEU A 25 -4.731 5.286 3.603 1.00 0.00 C ATOM 388 CG LEU A 25 -5.953 5.950 4.241 1.00 0.00 C ATOM 389 CD1 LEU A 25 -6.940 6.397 3.172 1.00 0.00 C ATOM 390 CD2 LEU A 25 -6.624 5.000 5.223 1.00 0.00 C ATOM 0 H LEU A 25 -2.651 4.521 2.519 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.550 6.494 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.062 4.409 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.074 4.930 4.397 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.618 6.831 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.802 6.867 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.457 7.113 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.269 5.532 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.491 5.489 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.944 4.100 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.918 4.730 6.008 1.00 0.00 H new ATOM 402 N ILE A 26 -2.450 7.278 4.253 1.00 0.00 N ATOM 403 CA ILE A 26 -1.918 8.393 5.031 1.00 0.00 C ATOM 404 C ILE A 26 -1.341 9.473 4.123 1.00 0.00 C ATOM 405 O ILE A 26 -1.502 10.666 4.379 1.00 0.00 O ATOM 406 CB ILE A 26 -0.828 7.919 6.012 1.00 0.00 C ATOM 407 CG1 ILE A 26 -1.369 6.806 6.917 1.00 0.00 C ATOM 408 CG2 ILE A 26 -0.313 9.085 6.845 1.00 0.00 C ATOM 409 CD1 ILE A 26 -2.529 7.237 7.791 1.00 0.00 C ATOM 0 H ILE A 26 -1.979 6.388 4.416 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.750 8.811 5.598 1.00 0.00 H new ATOM 0 HB ILE A 26 0.005 7.518 5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.686 5.968 6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.562 6.444 7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.456 8.730 7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.110 9.843 6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.136 9.517 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.856 6.396 8.402 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.212 8.055 8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.354 7.571 7.162 1.00 0.00 H new ATOM 421 N ILE A 27 -0.668 9.044 3.061 1.00 0.00 N ATOM 422 CA ILE A 27 -0.058 9.970 2.112 1.00 0.00 C ATOM 423 C ILE A 27 -1.111 10.669 1.260 1.00 0.00 C ATOM 424 O ILE A 27 -0.967 11.844 0.924 1.00 0.00 O ATOM 425 CB ILE A 27 0.943 9.249 1.190 1.00 0.00 C ATOM 426 CG1 ILE A 27 1.996 8.508 2.020 1.00 0.00 C ATOM 427 CG2 ILE A 27 1.604 10.237 0.238 1.00 0.00 C ATOM 428 CD1 ILE A 27 2.718 9.388 3.020 1.00 0.00 C ATOM 0 H ILE A 27 -0.531 8.059 2.835 1.00 0.00 H new ATOM 0 HA ILE A 27 0.474 10.717 2.701 1.00 0.00 H new ATOM 0 HB ILE A 27 0.398 8.517 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.514 7.689 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.729 8.063 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.308 9.708 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.842 10.716 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.137 10.995 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.447 8.792 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.230 10.193 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.997 9.813 3.718 1.00 0.00 H new ATOM 440 N LEU A 28 -2.166 9.941 0.909 1.00 0.00 N ATOM 441 CA LEU A 28 -3.237 10.497 0.090 1.00 0.00 C ATOM 442 C LEU A 28 -3.851 11.721 0.760 1.00 0.00 C ATOM 443 O LEU A 28 -4.119 12.730 0.107 1.00 0.00 O ATOM 444 CB LEU A 28 -4.314 9.440 -0.166 1.00 0.00 C ATOM 445 CG LEU A 28 -5.405 9.849 -1.159 1.00 0.00 C ATOM 446 CD1 LEU A 28 -4.826 10.004 -2.557 1.00 0.00 C ATOM 447 CD2 LEU A 28 -6.534 8.831 -1.159 1.00 0.00 C ATOM 0 H LEU A 28 -2.302 8.967 1.178 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.811 10.805 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.832 8.534 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.786 9.187 0.784 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.809 10.812 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.617 10.295 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.052 10.772 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.393 9.057 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.301 9.138 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.143 7.854 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.969 8.770 -0.161 1.00 0.00 H new ATOM 459 N ILE A 29 -4.070 11.625 2.068 1.00 0.00 N ATOM 460 CA ILE A 29 -4.649 12.724 2.831 1.00 0.00 C ATOM 461 C ILE A 29 -3.597 13.785 3.149 1.00 0.00 C ATOM 462 O ILE A 29 -3.888 14.980 3.146 1.00 0.00 O ATOM 463 CB ILE A 29 -5.279 12.224 4.145 1.00 0.00 C ATOM 464 CG1 ILE A 29 -6.333 11.146 3.860 1.00 0.00 C ATOM 465 CG2 ILE A 29 -5.892 13.384 4.921 1.00 0.00 C ATOM 466 CD1 ILE A 29 -7.507 11.633 3.033 1.00 0.00 C ATOM 0 H ILE A 29 -3.855 10.796 2.622 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.429 13.166 2.211 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.493 11.781 4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.856 10.315 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.706 10.758 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.332 13.011 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.118 14.114 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.666 13.858 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.207 10.812 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.011 12.444 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.148 11.994 2.069 1.00 0.00 H new ATOM 478 N MET A 30 -2.373 13.339 3.426 1.00 0.00 N ATOM 479 CA MET A 30 -1.282 14.253 3.746 1.00 0.00 C ATOM 480 C MET A 30 -1.040 15.228 2.597 1.00 0.00 C ATOM 481 O MET A 30 -0.878 16.428 2.813 1.00 0.00 O ATOM 482 CB MET A 30 0.000 13.469 4.045 1.00 0.00 C ATOM 483 CG MET A 30 1.135 14.335 4.565 1.00 0.00 C ATOM 484 SD MET A 30 2.664 13.410 4.809 1.00 0.00 S ATOM 485 CE MET A 30 2.139 12.188 6.010 1.00 0.00 C ATOM 0 H MET A 30 -2.114 12.353 3.435 1.00 0.00 H new ATOM 0 HA MET A 30 -1.564 14.822 4.632 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.221 12.694 4.779 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.327 12.963 3.137 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.316 15.149 3.863 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.836 14.789 5.510 1.00 0.00 H new ATOM 0 HE1 MET A 30 2.979 11.925 6.653 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.332 12.598 6.617 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.786 11.297 5.492 1.00 0.00 H new ATOM 495 N LEU A 31 -1.022 14.699 1.377 1.00 0.00 N ATOM 496 CA LEU A 31 -0.808 15.517 0.188 1.00 0.00 C ATOM 497 C LEU A 31 -2.069 16.305 -0.150 1.00 0.00 C ATOM 498 O LEU A 31 -2.001 17.406 -0.697 1.00 0.00 O ATOM 499 CB LEU A 31 -0.407 14.635 -0.996 1.00 0.00 C ATOM 500 CG LEU A 31 -0.002 15.391 -2.265 1.00 0.00 C ATOM 501 CD1 LEU A 31 1.278 16.179 -2.032 1.00 0.00 C ATOM 502 CD2 LEU A 31 0.168 14.423 -3.427 1.00 0.00 C ATOM 0 H LEU A 31 -1.153 13.706 1.186 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.001 16.221 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.424 14.000 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.241 13.975 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.795 16.095 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.550 16.709 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.122 16.898 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.081 15.495 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.456 14.975 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.943 13.696 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.773 13.904 -3.608 1.00 0.00 H new ATOM 514 N TRP A 32 -3.221 15.729 0.181 1.00 0.00 N ATOM 515 CA TRP A 32 -4.504 16.370 -0.075 1.00 0.00 C ATOM 516 C TRP A 32 -4.600 17.694 0.679 1.00 0.00 C ATOM 517 O TRP A 32 -5.232 18.642 0.212 1.00 0.00 O ATOM 518 CB TRP A 32 -5.650 15.439 0.339 1.00 0.00 C ATOM 519 CG TRP A 32 -7.010 16.050 0.189 1.00 0.00 C ATOM 520 CD1 TRP A 32 -7.560 16.562 -0.950 1.00 0.00 C ATOM 521 CD2 TRP A 32 -7.996 16.206 1.217 1.00 0.00 C ATOM 522 NE1 TRP A 32 -8.825 17.033 -0.694 1.00 0.00 N ATOM 523 CE2 TRP A 32 -9.116 16.824 0.629 1.00 0.00 C ATOM 524 CE3 TRP A 32 -8.039 15.884 2.576 1.00 0.00 C ATOM 525 CZ2 TRP A 32 -10.267 17.126 1.355 1.00 0.00 C ATOM 526 CZ3 TRP A 32 -9.181 16.184 3.295 1.00 0.00 C ATOM 527 CH2 TRP A 32 -10.281 16.799 2.684 1.00 0.00 C ATOM 0 H TRP A 32 -3.291 14.815 0.629 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.584 16.574 -1.143 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.602 14.530 -0.261 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.508 15.143 1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -7.072 16.593 -1.913 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -9.446 17.467 -1.377 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -7.196 15.410 3.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.116 17.600 0.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.226 15.940 4.346 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.158 17.020 3.274 1.00 0.00 H new ATOM 538 N GLN A 33 -3.965 17.747 1.844 1.00 0.00 N ATOM 539 CA GLN A 33 -3.970 18.951 2.667 1.00 0.00 C ATOM 540 C GLN A 33 -2.622 19.664 2.592 1.00 0.00 C ATOM 541 O GLN A 33 -2.369 20.611 3.334 1.00 0.00 O ATOM 542 CB GLN A 33 -4.291 18.600 4.120 1.00 0.00 C ATOM 543 CG GLN A 33 -5.679 18.012 4.308 1.00 0.00 C ATOM 544 CD GLN A 33 -6.779 18.984 3.928 1.00 0.00 C ATOM 545 OE1 GLN A 33 -7.245 19.765 4.757 1.00 0.00 O ATOM 546 NE2 GLN A 33 -7.199 18.937 2.669 1.00 0.00 N ATOM 0 H GLN A 33 -3.439 16.968 2.241 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.740 19.620 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.551 17.888 4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.199 19.498 4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.772 17.109 3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.806 17.714 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.783 18.272 2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.938 19.566 2.354 1.00 0.00 H new ATOM 555 N LYS A 34 -1.760 19.198 1.695 1.00 0.00 N ATOM 556 CA LYS A 34 -0.441 19.794 1.524 1.00 0.00 C ATOM 557 C LYS A 34 -0.464 20.855 0.428 1.00 0.00 C ATOM 558 O LYS A 34 0.137 21.920 0.568 1.00 0.00 O ATOM 559 CB LYS A 34 0.593 18.717 1.187 1.00 0.00 C ATOM 560 CG LYS A 34 2.014 19.249 1.086 1.00 0.00 C ATOM 561 CD LYS A 34 3.001 18.162 0.687 1.00 0.00 C ATOM 562 CE LYS A 34 3.303 17.219 1.843 1.00 0.00 C ATOM 563 NZ LYS A 34 2.182 16.274 2.105 1.00 0.00 N ATOM 0 H LYS A 34 -1.951 18.410 1.076 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.161 20.271 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.558 17.940 1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.322 18.247 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.048 20.056 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.311 19.675 2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.596 17.593 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.927 18.621 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.208 16.654 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.503 17.802 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.564 15.367 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.553 16.674 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.645 16.121 1.228 1.00 0.00 H new ATOM 577 N LYS A 35 -1.165 20.556 -0.662 1.00 0.00 N ATOM 578 CA LYS A 35 -1.273 21.486 -1.781 1.00 0.00 C ATOM 579 C LYS A 35 -2.613 22.223 -1.746 1.00 0.00 C ATOM 580 O LYS A 35 -3.663 21.599 -1.578 1.00 0.00 O ATOM 581 CB LYS A 35 -1.114 20.736 -3.105 1.00 0.00 C ATOM 582 CG LYS A 35 0.260 20.112 -3.284 1.00 0.00 C ATOM 583 CD LYS A 35 0.397 19.433 -4.636 1.00 0.00 C ATOM 584 CE LYS A 35 1.790 18.852 -4.828 1.00 0.00 C ATOM 585 NZ LYS A 35 2.843 19.902 -4.754 1.00 0.00 N ATOM 0 H LYS A 35 -1.666 19.678 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.475 22.224 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.871 19.954 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.302 21.424 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.025 20.882 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.435 19.384 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.345 18.639 -4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.189 20.152 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.977 18.096 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.844 18.350 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.731 19.532 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.541 20.735 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.994 20.173 -3.761 1.00 0.00 H new ATOM 599 N PRO A 36 -2.601 23.563 -1.903 1.00 0.00 N ATOM 600 CA PRO A 36 -3.825 24.375 -1.875 1.00 0.00 C ATOM 601 C PRO A 36 -4.827 23.968 -2.951 1.00 0.00 C ATOM 602 O PRO A 36 -4.476 23.302 -3.924 1.00 0.00 O ATOM 603 CB PRO A 36 -3.324 25.801 -2.132 1.00 0.00 C ATOM 604 CG PRO A 36 -1.878 25.771 -1.773 1.00 0.00 C ATOM 605 CD PRO A 36 -1.400 24.390 -2.117 1.00 0.00 C ATOM 0 HA PRO A 36 -4.357 24.258 -0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.466 26.088 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.867 26.526 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.322 26.527 -2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.734 25.982 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.046 24.330 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.575 24.077 -1.477 1.00 0.00 H new ATOM 613 N ARG A 37 -6.080 24.376 -2.759 1.00 0.00 N ATOM 614 CA ARG A 37 -7.145 24.065 -3.708 1.00 0.00 C ATOM 615 C ARG A 37 -7.943 25.320 -4.053 1.00 0.00 C ATOM 616 O ARG A 37 -8.132 26.196 -3.210 1.00 0.00 O ATOM 617 CB ARG A 37 -8.072 22.992 -3.133 1.00 0.00 C ATOM 618 CG ARG A 37 -8.707 23.379 -1.807 1.00 0.00 C ATOM 619 CD ARG A 37 -9.629 22.286 -1.291 1.00 0.00 C ATOM 620 NE ARG A 37 -10.192 22.615 0.017 1.00 0.00 N ATOM 621 CZ ARG A 37 -11.232 21.982 0.553 1.00 0.00 C ATOM 622 NH1 ARG A 37 -11.825 20.993 -0.103 1.00 0.00 N ATOM 623 NH2 ARG A 37 -11.680 22.338 1.749 1.00 0.00 N ATOM 0 H ARG A 37 -6.382 24.924 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.689 23.684 -4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.861 22.781 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.507 22.070 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.926 23.575 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.270 24.304 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.438 22.128 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.077 21.349 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.763 23.373 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.484 20.715 -1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.622 20.511 0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.227 23.097 2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.477 21.853 2.160 1.00 0.00 H new ATOM 637 N TYR A 38 -8.407 25.400 -5.297 1.00 0.00 N ATOM 638 CA TYR A 38 -9.180 26.553 -5.748 1.00 0.00 C ATOM 639 C TYR A 38 -10.511 26.122 -6.357 1.00 0.00 C ATOM 640 O TYR A 38 -10.545 25.458 -7.394 1.00 0.00 O ATOM 641 CB TYR A 38 -8.377 27.360 -6.769 1.00 0.00 C ATOM 642 CG TYR A 38 -9.073 28.624 -7.227 1.00 0.00 C ATOM 643 CD1 TYR A 38 -9.032 29.781 -6.459 1.00 0.00 C ATOM 644 CD2 TYR A 38 -9.772 28.657 -8.428 1.00 0.00 C ATOM 645 CE1 TYR A 38 -9.666 30.936 -6.874 1.00 0.00 C ATOM 646 CE2 TYR A 38 -10.408 29.810 -8.850 1.00 0.00 C ATOM 647 CZ TYR A 38 -10.353 30.945 -8.070 1.00 0.00 C ATOM 648 OH TYR A 38 -10.986 32.093 -8.487 1.00 0.00 O ATOM 0 H TYR A 38 -8.262 24.683 -6.008 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.389 27.177 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.413 27.624 -6.334 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.174 26.732 -7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.495 29.777 -5.522 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.819 27.769 -9.041 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.624 31.827 -6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.945 29.821 -9.787 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.422 31.931 -9.350 1.00 0.00 H new ATOM 658 N GLU A 39 -11.604 26.505 -5.701 1.00 0.00 N ATOM 659 CA GLU A 39 -12.946 26.172 -6.175 1.00 0.00 C ATOM 660 C GLU A 39 -13.108 24.667 -6.373 1.00 0.00 C ATOM 661 O GLU A 39 -13.896 24.224 -7.210 1.00 0.00 O ATOM 662 CB GLU A 39 -13.244 26.908 -7.482 1.00 0.00 C ATOM 663 CG GLU A 39 -13.303 28.419 -7.330 1.00 0.00 C ATOM 664 CD GLU A 39 -14.404 28.865 -6.390 1.00 0.00 C ATOM 665 OE1 GLU A 39 -15.537 29.089 -6.865 1.00 0.00 O ATOM 666 OE2 GLU A 39 -14.134 28.991 -5.177 1.00 0.00 O ATOM 667 OXT GLU A 39 -12.436 23.906 -5.637 1.00 0.00 O ATOM 0 H GLU A 39 -11.587 27.048 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.658 26.491 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.478 26.655 -8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.195 26.554 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.344 28.781 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.459 28.874 -8.308 1.00 0.00 H new TER 674 GLU A 39 ATOM 675 N GLY B 1 -12.165 -23.286 -11.807 1.00 0.00 N ATOM 676 CA GLY B 1 -11.715 -23.798 -10.526 1.00 0.00 C ATOM 677 C GLY B 1 -11.956 -22.819 -9.394 1.00 0.00 C ATOM 678 O GLY B 1 -12.036 -21.611 -9.616 1.00 0.00 O ATOM 0 H1 GLY B 1 -12.961 -23.861 -12.150 1.00 0.00 H new ATOM 0 H2 GLY B 1 -12.473 -22.299 -11.697 1.00 0.00 H new ATOM 0 H3 GLY B 1 -11.384 -23.331 -12.493 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -12.232 -24.733 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -10.651 -24.028 -10.583 1.00 0.00 H new ATOM 684 N HIS B 2 -12.072 -23.339 -8.177 1.00 0.00 N ATOM 685 CA HIS B 2 -12.304 -22.503 -7.006 1.00 0.00 C ATOM 686 C HIS B 2 -11.075 -22.470 -6.104 1.00 0.00 C ATOM 687 O HIS B 2 -11.000 -21.673 -5.169 1.00 0.00 O ATOM 688 CB HIS B 2 -13.516 -23.013 -6.223 1.00 0.00 C ATOM 689 CG HIS B 2 -13.430 -24.465 -5.869 1.00 0.00 C ATOM 690 ND1 HIS B 2 -12.900 -24.921 -4.681 1.00 0.00 N ATOM 691 CD2 HIS B 2 -13.809 -25.568 -6.558 1.00 0.00 C ATOM 692 CE1 HIS B 2 -12.956 -26.241 -4.654 1.00 0.00 C ATOM 693 NE2 HIS B 2 -13.505 -26.657 -5.780 1.00 0.00 N ATOM 0 H HIS B 2 -12.009 -24.337 -7.976 1.00 0.00 H new ATOM 0 HA HIS B 2 -12.503 -21.488 -7.350 1.00 0.00 H new ATOM 0 HB2 HIS B 2 -13.619 -22.430 -5.308 1.00 0.00 H new ATOM 0 HB3 HIS B 2 -14.417 -22.844 -6.813 1.00 0.00 H new ATOM 0 HD2 HIS B 2 -14.265 -25.587 -7.537 1.00 0.00 H new ATOM 0 HE1 HIS B 2 -12.611 -26.872 -3.848 1.00 0.00 H new ATOM 0 HE2 HIS B 2 -13.676 -27.631 -6.031 1.00 0.00 H new ATOM 702 N SER B 3 -10.111 -23.339 -6.391 1.00 0.00 N ATOM 703 CA SER B 3 -8.884 -23.410 -5.606 1.00 0.00 C ATOM 704 C SER B 3 -7.693 -22.898 -6.410 1.00 0.00 C ATOM 705 O SER B 3 -7.407 -23.397 -7.499 1.00 0.00 O ATOM 706 CB SER B 3 -8.625 -24.845 -5.149 1.00 0.00 C ATOM 707 OG SER B 3 -7.429 -24.933 -4.396 1.00 0.00 O ATOM 0 H SER B 3 -10.156 -24.005 -7.163 1.00 0.00 H new ATOM 0 HA SER B 3 -9.009 -22.775 -4.729 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.464 -25.195 -4.547 1.00 0.00 H new ATOM 0 HB3 SER B 3 -8.560 -25.500 -6.018 1.00 0.00 H new ATOM 0 HG SER B 3 -7.287 -25.861 -4.114 1.00 0.00 H new ATOM 713 N LEU B 4 -7.003 -21.901 -5.866 1.00 0.00 N ATOM 714 CA LEU B 4 -5.842 -21.323 -6.532 1.00 0.00 C ATOM 715 C LEU B 4 -4.549 -21.945 -6.002 1.00 0.00 C ATOM 716 O LEU B 4 -4.475 -22.335 -4.838 1.00 0.00 O ATOM 717 CB LEU B 4 -5.811 -19.805 -6.333 1.00 0.00 C ATOM 718 CG LEU B 4 -7.007 -19.045 -6.915 1.00 0.00 C ATOM 719 CD1 LEU B 4 -6.911 -17.565 -6.581 1.00 0.00 C ATOM 720 CD2 LEU B 4 -7.087 -19.246 -8.422 1.00 0.00 C ATOM 0 H LEU B 4 -7.228 -21.477 -4.966 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.921 -21.538 -7.598 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.753 -19.596 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -4.899 -19.414 -6.784 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.917 -19.442 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -7.769 -17.041 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.903 -17.436 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.993 -17.156 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.943 -18.699 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.173 -18.876 -8.887 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -7.202 -20.307 -8.642 1.00 0.00 H new ATOM 732 N PRO B 5 -3.511 -22.047 -6.855 1.00 0.00 N ATOM 733 CA PRO B 5 -2.222 -22.627 -6.460 1.00 0.00 C ATOM 734 C PRO B 5 -1.533 -21.817 -5.367 1.00 0.00 C ATOM 735 O PRO B 5 -1.749 -20.613 -5.245 1.00 0.00 O ATOM 736 CB PRO B 5 -1.395 -22.595 -7.749 1.00 0.00 C ATOM 737 CG PRO B 5 -2.045 -21.559 -8.599 1.00 0.00 C ATOM 738 CD PRO B 5 -3.507 -21.607 -8.261 1.00 0.00 C ATOM 0 HA PRO B 5 -2.342 -23.627 -6.044 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -0.355 -22.342 -7.544 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -1.395 -23.567 -8.242 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -1.630 -20.572 -8.397 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -1.882 -21.763 -9.657 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -3.980 -20.632 -8.380 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -4.046 -22.304 -8.903 1.00 0.00 H new ATOM 746 N PHE B 6 -0.712 -22.489 -4.568 1.00 0.00 N ATOM 747 CA PHE B 6 0.014 -21.835 -3.486 1.00 0.00 C ATOM 748 C PHE B 6 1.125 -20.945 -4.038 1.00 0.00 C ATOM 749 O PHE B 6 1.656 -20.088 -3.331 1.00 0.00 O ATOM 750 CB PHE B 6 0.597 -22.880 -2.526 1.00 0.00 C ATOM 751 CG PHE B 6 1.801 -23.605 -3.059 1.00 0.00 C ATOM 752 CD1 PHE B 6 1.730 -24.341 -4.231 1.00 0.00 C ATOM 753 CD2 PHE B 6 3.008 -23.552 -2.379 1.00 0.00 C ATOM 754 CE1 PHE B 6 2.841 -25.010 -4.715 1.00 0.00 C ATOM 755 CE2 PHE B 6 4.120 -24.217 -2.857 1.00 0.00 C ATOM 756 CZ PHE B 6 4.037 -24.947 -4.027 1.00 0.00 C ATOM 0 H PHE B 6 -0.532 -23.490 -4.650 1.00 0.00 H new ATOM 0 HA PHE B 6 -0.687 -21.206 -2.937 1.00 0.00 H new ATOM 0 HB2 PHE B 6 0.868 -22.387 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -0.177 -23.610 -2.289 1.00 0.00 H new ATOM 0 HD1 PHE B 6 0.797 -24.393 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE B 6 3.080 -22.983 -1.464 1.00 0.00 H new ATOM 0 HE1 PHE B 6 2.773 -25.581 -5.629 1.00 0.00 H new ATOM 0 HE2 PHE B 6 5.054 -24.166 -2.317 1.00 0.00 H new ATOM 0 HZ PHE B 6 4.906 -25.467 -4.403 1.00 0.00 H new ATOM 766 N LYS B 7 1.470 -21.157 -5.306 1.00 0.00 N ATOM 767 CA LYS B 7 2.523 -20.384 -5.960 1.00 0.00 C ATOM 768 C LYS B 7 2.219 -18.888 -5.931 1.00 0.00 C ATOM 769 O LYS B 7 3.062 -18.084 -5.531 1.00 0.00 O ATOM 770 CB LYS B 7 2.701 -20.850 -7.406 1.00 0.00 C ATOM 771 CG LYS B 7 3.887 -20.210 -8.110 1.00 0.00 C ATOM 772 CD LYS B 7 3.913 -20.546 -9.594 1.00 0.00 C ATOM 773 CE LYS B 7 4.445 -21.949 -9.851 1.00 0.00 C ATOM 774 NZ LYS B 7 3.483 -23.001 -9.424 1.00 0.00 N ATOM 0 H LYS B 7 1.034 -21.860 -5.903 1.00 0.00 H new ATOM 0 HA LYS B 7 3.448 -20.552 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS B 7 2.824 -21.933 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS B 7 1.793 -20.626 -7.966 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.844 -19.128 -7.983 1.00 0.00 H new ATOM 0 HG3 LYS B 7 4.812 -20.549 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.906 -20.459 -10.003 1.00 0.00 H new ATOM 0 HD3 LYS B 7 4.534 -19.821 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.660 -22.065 -10.913 1.00 0.00 H new ATOM 0 HE3 LYS B 7 5.387 -22.082 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 3.503 -23.787 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.748 -23.352 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.524 -22.600 -9.387 1.00 0.00 H new ATOM 788 N VAL B 8 1.016 -18.520 -6.359 1.00 0.00 N ATOM 789 CA VAL B 8 0.612 -17.118 -6.386 1.00 0.00 C ATOM 790 C VAL B 8 0.670 -16.498 -4.992 1.00 0.00 C ATOM 791 O VAL B 8 1.003 -15.324 -4.842 1.00 0.00 O ATOM 792 CB VAL B 8 -0.806 -16.942 -6.965 1.00 0.00 C ATOM 793 CG1 VAL B 8 -0.877 -17.500 -8.378 1.00 0.00 C ATOM 794 CG2 VAL B 8 -1.843 -17.607 -6.073 1.00 0.00 C ATOM 0 H VAL B 8 0.305 -19.171 -6.691 1.00 0.00 H new ATOM 0 HA VAL B 8 1.319 -16.603 -7.036 1.00 0.00 H new ATOM 0 HB VAL B 8 -1.028 -15.876 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.885 -17.367 -8.771 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.167 -16.971 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.630 -18.562 -8.363 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.835 -17.469 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.626 -18.672 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -1.812 -17.157 -5.081 1.00 0.00 H new ATOM 804 N VAL B 9 0.338 -17.292 -3.976 1.00 0.00 N ATOM 805 CA VAL B 9 0.353 -16.814 -2.597 1.00 0.00 C ATOM 806 C VAL B 9 1.756 -16.383 -2.183 1.00 0.00 C ATOM 807 O VAL B 9 1.954 -15.279 -1.677 1.00 0.00 O ATOM 808 CB VAL B 9 -0.139 -17.894 -1.614 1.00 0.00 C ATOM 809 CG1 VAL B 9 -0.434 -17.279 -0.254 1.00 0.00 C ATOM 810 CG2 VAL B 9 -1.364 -18.609 -2.157 1.00 0.00 C ATOM 0 H VAL B 9 0.056 -18.267 -4.082 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.323 -15.960 -2.556 1.00 0.00 H new ATOM 0 HB VAL B 9 0.654 -18.632 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.780 -18.055 0.429 1.00 0.00 H new ATOM 0 HG12 VAL B 9 0.473 -16.824 0.144 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -1.206 -16.517 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -1.690 -19.366 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -2.167 -17.888 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -1.116 -19.087 -3.105 1.00 0.00 H new ATOM 820 N VAL B 10 2.726 -17.266 -2.400 1.00 0.00 N ATOM 821 CA VAL B 10 4.114 -16.988 -2.045 1.00 0.00 C ATOM 822 C VAL B 10 4.640 -15.751 -2.763 1.00 0.00 C ATOM 823 O VAL B 10 5.148 -14.827 -2.130 1.00 0.00 O ATOM 824 CB VAL B 10 5.026 -18.185 -2.375 1.00 0.00 C ATOM 825 CG1 VAL B 10 6.462 -17.894 -1.965 1.00 0.00 C ATOM 826 CG2 VAL B 10 4.515 -19.445 -1.698 1.00 0.00 C ATOM 0 H VAL B 10 2.576 -18.183 -2.821 1.00 0.00 H new ATOM 0 HA VAL B 10 4.130 -16.808 -0.970 1.00 0.00 H new ATOM 0 HB VAL B 10 5.008 -18.346 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL B 10 7.090 -18.751 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL B 10 6.823 -17.017 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.503 -17.705 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL B 10 5.171 -20.281 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL B 10 4.501 -19.298 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL B 10 3.506 -19.662 -2.048 1.00 0.00 H new ATOM 836 N ILE B 11 4.523 -15.744 -4.087 1.00 0.00 N ATOM 837 CA ILE B 11 4.995 -14.621 -4.891 1.00 0.00 C ATOM 838 C ILE B 11 4.324 -13.316 -4.470 1.00 0.00 C ATOM 839 O ILE B 11 4.954 -12.260 -4.459 1.00 0.00 O ATOM 840 CB ILE B 11 4.739 -14.861 -6.393 1.00 0.00 C ATOM 841 CG1 ILE B 11 5.353 -16.194 -6.830 1.00 0.00 C ATOM 842 CG2 ILE B 11 5.308 -13.713 -7.216 1.00 0.00 C ATOM 843 CD1 ILE B 11 5.047 -16.563 -8.266 1.00 0.00 C ATOM 0 H ILE B 11 4.106 -16.503 -4.626 1.00 0.00 H new ATOM 0 HA ILE B 11 6.069 -14.540 -4.721 1.00 0.00 H new ATOM 0 HB ILE B 11 3.663 -14.906 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE B 11 6.434 -16.146 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE B 11 4.987 -16.985 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE B 11 5.120 -13.896 -8.274 1.00 0.00 H new ATOM 0 HG22 ILE B 11 4.830 -12.780 -6.918 1.00 0.00 H new ATOM 0 HG23 ILE B 11 6.382 -13.641 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE B 11 5.515 -17.519 -8.504 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.968 -16.644 -8.399 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.438 -15.793 -8.931 1.00 0.00 H new ATOM 855 N SER B 12 3.043 -13.396 -4.122 1.00 0.00 N ATOM 856 CA SER B 12 2.288 -12.217 -3.704 1.00 0.00 C ATOM 857 C SER B 12 2.752 -11.721 -2.337 1.00 0.00 C ATOM 858 O SER B 12 2.827 -10.516 -2.097 1.00 0.00 O ATOM 859 CB SER B 12 0.790 -12.528 -3.667 1.00 0.00 C ATOM 860 OG SER B 12 0.043 -11.396 -3.256 1.00 0.00 O ATOM 0 H SER B 12 2.506 -14.263 -4.121 1.00 0.00 H new ATOM 0 HA SER B 12 2.470 -11.428 -4.434 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.458 -12.848 -4.655 1.00 0.00 H new ATOM 0 HB3 SER B 12 0.605 -13.357 -2.984 1.00 0.00 H new ATOM 0 HG SER B 12 -0.911 -11.621 -3.242 1.00 0.00 H new ATOM 866 N ALA B 13 3.058 -12.658 -1.446 1.00 0.00 N ATOM 867 CA ALA B 13 3.508 -12.320 -0.100 1.00 0.00 C ATOM 868 C ALA B 13 4.866 -11.626 -0.120 1.00 0.00 C ATOM 869 O ALA B 13 5.017 -10.522 0.403 1.00 0.00 O ATOM 870 CB ALA B 13 3.569 -13.571 0.762 1.00 0.00 C ATOM 0 H ALA B 13 3.003 -13.659 -1.632 1.00 0.00 H new ATOM 0 HA ALA B 13 2.786 -11.624 0.328 1.00 0.00 H new ATOM 0 HB1 ALA B 13 3.906 -13.306 1.764 1.00 0.00 H new ATOM 0 HB2 ALA B 13 2.578 -14.022 0.820 1.00 0.00 H new ATOM 0 HB3 ALA B 13 4.266 -14.283 0.321 1.00 0.00 H new ATOM 876 N ILE B 14 5.852 -12.282 -0.725 1.00 0.00 N ATOM 877 CA ILE B 14 7.200 -11.730 -0.802 1.00 0.00 C ATOM 878 C ILE B 14 7.215 -10.400 -1.552 1.00 0.00 C ATOM 879 O ILE B 14 7.935 -9.476 -1.172 1.00 0.00 O ATOM 880 CB ILE B 14 8.173 -12.717 -1.483 1.00 0.00 C ATOM 881 CG1 ILE B 14 9.596 -12.152 -1.479 1.00 0.00 C ATOM 882 CG2 ILE B 14 7.719 -13.022 -2.903 1.00 0.00 C ATOM 883 CD1 ILE B 14 10.651 -13.162 -1.873 1.00 0.00 C ATOM 0 H ILE B 14 5.743 -13.194 -1.168 1.00 0.00 H new ATOM 0 HA ILE B 14 7.531 -11.559 0.222 1.00 0.00 H new ATOM 0 HB ILE B 14 8.172 -13.649 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE B 14 9.643 -11.305 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE B 14 9.824 -11.771 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE B 14 8.417 -13.719 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE B 14 6.724 -13.467 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE B 14 7.690 -12.099 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE B 14 11.633 -12.691 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE B 14 10.632 -13.999 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE B 14 10.449 -13.525 -2.881 1.00 0.00 H new ATOM 895 N LEU B 15 6.414 -10.303 -2.610 1.00 0.00 N ATOM 896 CA LEU B 15 6.347 -9.081 -3.406 1.00 0.00 C ATOM 897 C LEU B 15 5.690 -7.952 -2.619 1.00 0.00 C ATOM 898 O LEU B 15 6.041 -6.784 -2.785 1.00 0.00 O ATOM 899 CB LEU B 15 5.572 -9.324 -4.703 1.00 0.00 C ATOM 900 CG LEU B 15 5.395 -8.093 -5.593 1.00 0.00 C ATOM 901 CD1 LEU B 15 6.735 -7.637 -6.149 1.00 0.00 C ATOM 902 CD2 LEU B 15 4.417 -8.384 -6.720 1.00 0.00 C ATOM 0 H LEU B 15 5.804 -11.053 -2.935 1.00 0.00 H new ATOM 0 HA LEU B 15 7.368 -8.788 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.085 -10.096 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.587 -9.716 -4.451 1.00 0.00 H new ATOM 0 HG LEU B 15 4.985 -7.286 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU B 15 6.588 -6.760 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU B 15 7.403 -7.384 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU B 15 7.176 -8.440 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.304 -7.496 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.795 -9.207 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.449 -8.658 -6.300 1.00 0.00 H new ATOM 914 N ALA B 16 4.737 -8.307 -1.765 1.00 0.00 N ATOM 915 CA ALA B 16 4.035 -7.319 -0.956 1.00 0.00 C ATOM 916 C ALA B 16 4.984 -6.649 0.030 1.00 0.00 C ATOM 917 O ALA B 16 4.815 -5.478 0.372 1.00 0.00 O ATOM 918 CB ALA B 16 2.870 -7.966 -0.226 1.00 0.00 C ATOM 0 H ALA B 16 4.434 -9.269 -1.615 1.00 0.00 H new ATOM 0 HA ALA B 16 3.643 -6.549 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA B 16 2.355 -7.216 0.374 1.00 0.00 H new ATOM 0 HB2 ALA B 16 2.176 -8.389 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA B 16 3.242 -8.758 0.424 1.00 0.00 H new ATOM 924 N LEU B 17 5.980 -7.399 0.490 1.00 0.00 N ATOM 925 CA LEU B 17 6.964 -6.871 1.429 1.00 0.00 C ATOM 926 C LEU B 17 7.923 -5.920 0.723 1.00 0.00 C ATOM 927 O LEU B 17 8.394 -4.947 1.311 1.00 0.00 O ATOM 928 CB LEU B 17 7.747 -8.010 2.088 1.00 0.00 C ATOM 929 CG LEU B 17 6.909 -8.986 2.917 1.00 0.00 C ATOM 930 CD1 LEU B 17 7.798 -10.050 3.540 1.00 0.00 C ATOM 931 CD2 LEU B 17 6.129 -8.250 3.996 1.00 0.00 C ATOM 0 H LEU B 17 6.127 -8.374 0.228 1.00 0.00 H new ATOM 0 HA LEU B 17 6.430 -6.320 2.203 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.264 -8.571 1.310 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.513 -7.577 2.731 1.00 0.00 H new ATOM 0 HG LEU B 17 6.195 -9.472 2.252 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.187 -10.737 4.126 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.311 -10.602 2.753 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.534 -9.575 4.188 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.541 -8.965 4.572 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.823 -7.734 4.659 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.463 -7.523 3.531 1.00 0.00 H new ATOM 943 N VAL B 18 8.209 -6.213 -0.543 1.00 0.00 N ATOM 944 CA VAL B 18 9.111 -5.386 -1.335 1.00 0.00 C ATOM 945 C VAL B 18 8.475 -4.039 -1.663 1.00 0.00 C ATOM 946 O VAL B 18 9.136 -3.003 -1.613 1.00 0.00 O ATOM 947 CB VAL B 18 9.513 -6.087 -2.647 1.00 0.00 C ATOM 948 CG1 VAL B 18 10.476 -5.223 -3.446 1.00 0.00 C ATOM 949 CG2 VAL B 18 10.124 -7.447 -2.357 1.00 0.00 C ATOM 0 H VAL B 18 7.828 -7.018 -1.041 1.00 0.00 H new ATOM 0 HA VAL B 18 10.005 -5.226 -0.732 1.00 0.00 H new ATOM 0 HB VAL B 18 8.615 -6.235 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL B 18 10.747 -5.737 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL B 18 9.999 -4.273 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL B 18 11.374 -5.038 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.402 -7.928 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.011 -7.322 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.398 -8.068 -1.832 1.00 0.00 H new ATOM 959 N VAL B 19 7.188 -4.064 -1.998 1.00 0.00 N ATOM 960 CA VAL B 19 6.467 -2.844 -2.338 1.00 0.00 C ATOM 961 C VAL B 19 6.181 -2.007 -1.097 1.00 0.00 C ATOM 962 O VAL B 19 6.047 -0.787 -1.183 1.00 0.00 O ATOM 963 CB VAL B 19 5.140 -3.148 -3.063 1.00 0.00 C ATOM 964 CG1 VAL B 19 5.398 -3.924 -4.345 1.00 0.00 C ATOM 965 CG2 VAL B 19 4.188 -3.910 -2.152 1.00 0.00 C ATOM 0 H VAL B 19 6.625 -4.914 -2.041 1.00 0.00 H new ATOM 0 HA VAL B 19 7.112 -2.279 -3.011 1.00 0.00 H new ATOM 0 HB VAL B 19 4.669 -2.201 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL B 19 4.450 -4.129 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL B 19 6.034 -3.335 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL B 19 5.894 -4.865 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL B 19 3.259 -4.113 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL B 19 4.647 -4.852 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL B 19 3.975 -3.312 -1.266 1.00 0.00 H new ATOM 975 N LEU B 20 6.083 -2.663 0.056 1.00 0.00 N ATOM 976 CA LEU B 20 5.820 -1.959 1.307 1.00 0.00 C ATOM 977 C LEU B 20 7.046 -1.162 1.739 1.00 0.00 C ATOM 978 O LEU B 20 6.930 -0.158 2.440 1.00 0.00 O ATOM 979 CB LEU B 20 5.413 -2.937 2.412 1.00 0.00 C ATOM 980 CG LEU B 20 5.029 -2.282 3.744 1.00 0.00 C ATOM 981 CD1 LEU B 20 3.811 -1.382 3.576 1.00 0.00 C ATOM 982 CD2 LEU B 20 4.770 -3.345 4.801 1.00 0.00 C ATOM 0 H LEU B 20 6.181 -3.674 0.150 1.00 0.00 H new ATOM 0 HA LEU B 20 4.993 -1.270 1.137 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.570 -3.531 2.059 1.00 0.00 H new ATOM 0 HB3 LEU B 20 6.238 -3.628 2.588 1.00 0.00 H new ATOM 0 HG LEU B 20 5.862 -1.662 4.073 1.00 0.00 H new ATOM 0 HD11 LEU B 20 3.558 -0.929 4.535 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.035 -0.598 2.852 1.00 0.00 H new ATOM 0 HD13 LEU B 20 2.967 -1.974 3.221 1.00 0.00 H new ATOM 0 HD21 LEU B 20 4.498 -2.865 5.741 1.00 0.00 H new ATOM 0 HD22 LEU B 20 3.955 -3.991 4.475 1.00 0.00 H new ATOM 0 HD23 LEU B 20 5.671 -3.942 4.945 1.00 0.00 H new ATOM 994 N THR B 21 8.221 -1.618 1.314 1.00 0.00 N ATOM 995 CA THR B 21 9.465 -0.938 1.644 1.00 0.00 C ATOM 996 C THR B 21 9.715 0.203 0.668 1.00 0.00 C ATOM 997 O THR B 21 10.231 1.255 1.042 1.00 0.00 O ATOM 998 CB THR B 21 10.667 -1.903 1.618 1.00 0.00 C ATOM 999 OG1 THR B 21 10.459 -2.969 2.553 1.00 0.00 O ATOM 1000 CG2 THR B 21 11.958 -1.172 1.957 1.00 0.00 C ATOM 0 H THR B 21 8.335 -2.454 0.741 1.00 0.00 H new ATOM 0 HA THR B 21 9.363 -0.545 2.656 1.00 0.00 H new ATOM 0 HB THR B 21 10.753 -2.312 0.611 1.00 0.00 H new ATOM 0 HG1 THR B 21 9.810 -3.605 2.185 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.791 -1.874 1.932 1.00 0.00 H new ATOM 0 HG22 THR B 21 12.129 -0.380 1.228 1.00 0.00 H new ATOM 0 HG23 THR B 21 11.879 -0.738 2.954 1.00 0.00 H new ATOM 1008 N ILE B 22 9.339 -0.013 -0.588 1.00 0.00 N ATOM 1009 CA ILE B 22 9.508 0.997 -1.624 1.00 0.00 C ATOM 1010 C ILE B 22 8.497 2.124 -1.448 1.00 0.00 C ATOM 1011 O ILE B 22 8.827 3.298 -1.618 1.00 0.00 O ATOM 1012 CB ILE B 22 9.356 0.385 -3.032 1.00 0.00 C ATOM 1013 CG1 ILE B 22 10.444 -0.666 -3.268 1.00 0.00 C ATOM 1014 CG2 ILE B 22 9.416 1.471 -4.098 1.00 0.00 C ATOM 1015 CD1 ILE B 22 10.257 -1.459 -4.543 1.00 0.00 C ATOM 0 H ILE B 22 8.914 -0.881 -0.913 1.00 0.00 H new ATOM 0 HA ILE B 22 10.516 1.400 -1.525 1.00 0.00 H new ATOM 0 HB ILE B 22 8.382 -0.101 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE B 22 11.415 -0.171 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE B 22 10.462 -1.353 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE B 22 9.307 1.019 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE B 22 8.609 2.186 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE B 22 10.375 1.986 -4.039 1.00 0.00 H new ATOM 0 HD11 ILE B 22 11.065 -2.184 -4.643 1.00 0.00 H new ATOM 0 HD12 ILE B 22 9.302 -1.983 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.269 -0.782 -5.397 1.00 0.00 H new ATOM 1027 N ILE B 23 7.267 1.758 -1.100 1.00 0.00 N ATOM 1028 CA ILE B 23 6.207 2.738 -0.897 1.00 0.00 C ATOM 1029 C ILE B 23 6.566 3.687 0.245 1.00 0.00 C ATOM 1030 O ILE B 23 6.250 4.876 0.201 1.00 0.00 O ATOM 1031 CB ILE B 23 4.854 2.053 -0.604 1.00 0.00 C ATOM 1032 CG1 ILE B 23 3.713 3.069 -0.684 1.00 0.00 C ATOM 1033 CG2 ILE B 23 4.879 1.377 0.759 1.00 0.00 C ATOM 1034 CD1 ILE B 23 2.338 2.444 -0.598 1.00 0.00 C ATOM 0 H ILE B 23 6.981 0.790 -0.953 1.00 0.00 H new ATOM 0 HA ILE B 23 6.107 3.310 -1.820 1.00 0.00 H new ATOM 0 HB ILE B 23 4.685 1.286 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE B 23 3.825 3.793 0.123 1.00 0.00 H new ATOM 0 HG13 ILE B 23 3.794 3.621 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE B 23 3.917 0.900 0.946 1.00 0.00 H new ATOM 0 HG22 ILE B 23 5.667 0.624 0.777 1.00 0.00 H new ATOM 0 HG23 ILE B 23 5.071 2.122 1.531 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.579 3.224 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE B 23 2.206 1.741 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE B 23 2.237 1.916 0.350 1.00 0.00 H new ATOM 1046 N SER B 24 7.227 3.148 1.268 1.00 0.00 N ATOM 1047 CA SER B 24 7.644 3.939 2.419 1.00 0.00 C ATOM 1048 C SER B 24 8.830 4.831 2.065 1.00 0.00 C ATOM 1049 O SER B 24 8.925 5.968 2.528 1.00 0.00 O ATOM 1050 CB SER B 24 8.007 3.026 3.591 1.00 0.00 C ATOM 1051 OG SER B 24 9.083 2.166 3.256 1.00 0.00 O ATOM 0 H SER B 24 7.485 2.163 1.321 1.00 0.00 H new ATOM 0 HA SER B 24 6.809 4.575 2.712 1.00 0.00 H new ATOM 0 HB2 SER B 24 8.277 3.631 4.457 1.00 0.00 H new ATOM 0 HB3 SER B 24 7.138 2.432 3.876 1.00 0.00 H new ATOM 0 HG SER B 24 9.142 2.080 2.282 1.00 0.00 H new ATOM 1057 N LEU B 25 9.736 4.305 1.242 1.00 0.00 N ATOM 1058 CA LEU B 25 10.916 5.055 0.824 1.00 0.00 C ATOM 1059 C LEU B 25 10.519 6.311 0.058 1.00 0.00 C ATOM 1060 O LEU B 25 11.103 7.377 0.254 1.00 0.00 O ATOM 1061 CB LEU B 25 11.831 4.181 -0.039 1.00 0.00 C ATOM 1062 CG LEU B 25 12.633 3.127 0.726 1.00 0.00 C ATOM 1063 CD1 LEU B 25 13.378 2.218 -0.239 1.00 0.00 C ATOM 1064 CD2 LEU B 25 13.603 3.793 1.690 1.00 0.00 C ATOM 0 H LEU B 25 9.674 3.364 0.853 1.00 0.00 H new ATOM 0 HA LEU B 25 11.459 5.354 1.721 1.00 0.00 H new ATOM 0 HB2 LEU B 25 11.223 3.677 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU B 25 12.527 4.828 -0.573 1.00 0.00 H new ATOM 0 HG LEU B 25 11.938 2.517 1.303 1.00 0.00 H new ATOM 0 HD11 LEU B 25 13.943 1.475 0.324 1.00 0.00 H new ATOM 0 HD12 LEU B 25 12.663 1.714 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU B 25 14.063 2.813 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU B 25 14.166 3.029 2.226 1.00 0.00 H new ATOM 0 HD22 LEU B 25 14.293 4.427 1.132 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.047 4.401 2.403 1.00 0.00 H new ATOM 1076 N ILE B 26 9.526 6.178 -0.817 1.00 0.00 N ATOM 1077 CA ILE B 26 9.046 7.311 -1.600 1.00 0.00 C ATOM 1078 C ILE B 26 8.619 8.446 -0.678 1.00 0.00 C ATOM 1079 O ILE B 26 8.866 9.618 -0.959 1.00 0.00 O ATOM 1080 CB ILE B 26 7.860 6.915 -2.503 1.00 0.00 C ATOM 1081 CG1 ILE B 26 8.284 5.809 -3.474 1.00 0.00 C ATOM 1082 CG2 ILE B 26 7.343 8.128 -3.264 1.00 0.00 C ATOM 1083 CD1 ILE B 26 7.142 5.243 -4.293 1.00 0.00 C ATOM 0 H ILE B 26 9.040 5.300 -1.001 1.00 0.00 H new ATOM 0 HA ILE B 26 9.868 7.640 -2.235 1.00 0.00 H new ATOM 0 HB ILE B 26 7.053 6.536 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE B 26 9.043 6.203 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE B 26 8.749 5.001 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE B 26 6.506 7.831 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE B 26 7.011 8.887 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE B 26 8.141 8.535 -3.885 1.00 0.00 H new ATOM 0 HD11 ILE B 26 7.521 4.466 -4.957 1.00 0.00 H new ATOM 0 HD12 ILE B 26 6.392 4.818 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE B 26 6.691 6.038 -4.886 1.00 0.00 H new ATOM 1095 N ILE B 27 7.978 8.081 0.426 1.00 0.00 N ATOM 1096 CA ILE B 27 7.518 9.052 1.410 1.00 0.00 C ATOM 1097 C ILE B 27 8.701 9.696 2.126 1.00 0.00 C ATOM 1098 O ILE B 27 8.700 10.896 2.397 1.00 0.00 O ATOM 1099 CB ILE B 27 6.605 8.389 2.458 1.00 0.00 C ATOM 1100 CG1 ILE B 27 5.473 7.622 1.772 1.00 0.00 C ATOM 1101 CG2 ILE B 27 6.049 9.436 3.412 1.00 0.00 C ATOM 1102 CD1 ILE B 27 4.766 6.643 2.684 1.00 0.00 C ATOM 0 H ILE B 27 7.764 7.112 0.663 1.00 0.00 H new ATOM 0 HA ILE B 27 6.954 9.815 0.873 1.00 0.00 H new ATOM 0 HB ILE B 27 7.195 7.678 3.036 1.00 0.00 H new ATOM 0 HG12 ILE B 27 4.745 8.335 1.384 1.00 0.00 H new ATOM 0 HG13 ILE B 27 5.878 7.082 0.916 1.00 0.00 H new ATOM 0 HG21 ILE B 27 5.405 8.953 4.147 1.00 0.00 H new ATOM 0 HG22 ILE B 27 6.872 9.936 3.923 1.00 0.00 H new ATOM 0 HG23 ILE B 27 5.471 10.170 2.850 1.00 0.00 H new ATOM 0 HD11 ILE B 27 3.976 6.136 2.131 1.00 0.00 H new ATOM 0 HD12 ILE B 27 5.481 5.907 3.052 1.00 0.00 H new ATOM 0 HD13 ILE B 27 4.331 7.180 3.527 1.00 0.00 H new ATOM 1114 N LEU B 28 9.705 8.879 2.431 1.00 0.00 N ATOM 1115 CA LEU B 28 10.901 9.351 3.120 1.00 0.00 C ATOM 1116 C LEU B 28 11.564 10.484 2.346 1.00 0.00 C ATOM 1117 O LEU B 28 11.775 11.574 2.877 1.00 0.00 O ATOM 1118 CB LEU B 28 11.894 8.196 3.302 1.00 0.00 C ATOM 1119 CG LEU B 28 12.668 8.190 4.626 1.00 0.00 C ATOM 1120 CD1 LEU B 28 13.374 9.519 4.851 1.00 0.00 C ATOM 1121 CD2 LEU B 28 11.735 7.876 5.785 1.00 0.00 C ATOM 0 H LEU B 28 9.713 7.883 2.211 1.00 0.00 H new ATOM 0 HA LEU B 28 10.603 9.729 4.098 1.00 0.00 H new ATOM 0 HB2 LEU B 28 11.350 7.256 3.216 1.00 0.00 H new ATOM 0 HB3 LEU B 28 12.612 8.225 2.482 1.00 0.00 H new ATOM 0 HG LEU B 28 13.428 7.411 4.572 1.00 0.00 H new ATOM 0 HD11 LEU B 28 13.915 9.488 5.797 1.00 0.00 H new ATOM 0 HD12 LEU B 28 14.076 9.701 4.037 1.00 0.00 H new ATOM 0 HD13 LEU B 28 12.637 10.322 4.881 1.00 0.00 H new ATOM 0 HD21 LEU B 28 12.300 7.876 6.717 1.00 0.00 H new ATOM 0 HD22 LEU B 28 10.951 8.632 5.836 1.00 0.00 H new ATOM 0 HD23 LEU B 28 11.284 6.895 5.634 1.00 0.00 H new ATOM 1133 N ILE B 29 11.886 10.217 1.084 1.00 0.00 N ATOM 1134 CA ILE B 29 12.530 11.209 0.229 1.00 0.00 C ATOM 1135 C ILE B 29 11.593 12.381 -0.055 1.00 0.00 C ATOM 1136 O ILE B 29 12.038 13.517 -0.213 1.00 0.00 O ATOM 1137 CB ILE B 29 12.977 10.587 -1.108 1.00 0.00 C ATOM 1138 CG1 ILE B 29 13.852 9.355 -0.857 1.00 0.00 C ATOM 1139 CG2 ILE B 29 13.725 11.616 -1.947 1.00 0.00 C ATOM 1140 CD1 ILE B 29 14.195 8.583 -2.114 1.00 0.00 C ATOM 0 H ILE B 29 11.711 9.320 0.630 1.00 0.00 H new ATOM 0 HA ILE B 29 13.407 11.571 0.765 1.00 0.00 H new ATOM 0 HB ILE B 29 12.091 10.272 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE B 29 14.776 9.670 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE B 29 13.337 8.691 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE B 29 14.035 11.162 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE B 29 13.071 12.464 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE B 29 14.605 11.959 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE B 29 14.816 7.725 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE B 29 13.278 8.237 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE B 29 14.738 9.231 -2.802 1.00 0.00 H new ATOM 1152 N MET B 30 10.296 12.095 -0.114 1.00 0.00 N ATOM 1153 CA MET B 30 9.298 13.125 -0.386 1.00 0.00 C ATOM 1154 C MET B 30 9.357 14.235 0.659 1.00 0.00 C ATOM 1155 O MET B 30 9.355 15.418 0.321 1.00 0.00 O ATOM 1156 CB MET B 30 7.895 12.517 -0.408 1.00 0.00 C ATOM 1157 CG MET B 30 6.843 13.445 -0.995 1.00 0.00 C ATOM 1158 SD MET B 30 5.158 12.912 -0.630 1.00 0.00 S ATOM 1159 CE MET B 30 5.192 11.226 -1.235 1.00 0.00 C ATOM 0 H MET B 30 9.911 11.160 0.023 1.00 0.00 H new ATOM 0 HA MET B 30 9.521 13.553 -1.363 1.00 0.00 H new ATOM 0 HB2 MET B 30 7.917 11.593 -0.986 1.00 0.00 H new ATOM 0 HB3 MET B 30 7.607 12.250 0.609 1.00 0.00 H new ATOM 0 HG2 MET B 30 6.994 14.451 -0.604 1.00 0.00 H new ATOM 0 HG3 MET B 30 6.976 13.500 -2.075 1.00 0.00 H new ATOM 0 HE1 MET B 30 4.232 10.984 -1.692 1.00 0.00 H new ATOM 0 HE2 MET B 30 5.984 11.122 -1.977 1.00 0.00 H new ATOM 0 HE3 MET B 30 5.381 10.545 -0.405 1.00 0.00 H new ATOM 1169 N LEU B 31 9.408 13.842 1.926 1.00 0.00 N ATOM 1170 CA LEU B 31 9.463 14.803 3.021 1.00 0.00 C ATOM 1171 C LEU B 31 10.889 15.302 3.238 1.00 0.00 C ATOM 1172 O LEU B 31 11.102 16.387 3.779 1.00 0.00 O ATOM 1173 CB LEU B 31 8.929 14.170 4.307 1.00 0.00 C ATOM 1174 CG LEU B 31 8.681 15.146 5.459 1.00 0.00 C ATOM 1175 CD1 LEU B 31 7.513 16.067 5.139 1.00 0.00 C ATOM 1176 CD2 LEU B 31 8.425 14.386 6.752 1.00 0.00 C ATOM 0 H LEU B 31 9.412 12.865 2.221 1.00 0.00 H new ATOM 0 HA LEU B 31 8.837 15.655 2.756 1.00 0.00 H new ATOM 0 HB2 LEU B 31 7.995 13.656 4.080 1.00 0.00 H new ATOM 0 HB3 LEU B 31 9.637 13.411 4.641 1.00 0.00 H new ATOM 0 HG LEU B 31 9.573 15.759 5.590 1.00 0.00 H new ATOM 0 HD11 LEU B 31 7.353 16.753 5.970 1.00 0.00 H new ATOM 0 HD12 LEU B 31 7.735 16.636 4.236 1.00 0.00 H new ATOM 0 HD13 LEU B 31 6.613 15.472 4.981 1.00 0.00 H new ATOM 0 HD21 LEU B 31 8.250 15.094 7.562 1.00 0.00 H new ATOM 0 HD22 LEU B 31 7.549 13.749 6.632 1.00 0.00 H new ATOM 0 HD23 LEU B 31 9.292 13.770 6.990 1.00 0.00 H new ATOM 1188 N TRP B 32 11.862 14.500 2.814 1.00 0.00 N ATOM 1189 CA TRP B 32 13.269 14.860 2.959 1.00 0.00 C ATOM 1190 C TRP B 32 13.608 16.079 2.106 1.00 0.00 C ATOM 1191 O TRP B 32 14.421 16.916 2.499 1.00 0.00 O ATOM 1192 CB TRP B 32 14.162 13.678 2.571 1.00 0.00 C ATOM 1193 CG TRP B 32 15.627 13.970 2.694 1.00 0.00 C ATOM 1194 CD1 TRP B 32 16.304 14.307 3.832 1.00 0.00 C ATOM 1195 CD2 TRP B 32 16.598 13.945 1.641 1.00 0.00 C ATOM 1196 NE1 TRP B 32 17.636 14.499 3.547 1.00 0.00 N ATOM 1197 CE2 TRP B 32 17.840 14.280 2.210 1.00 0.00 C ATOM 1198 CE3 TRP B 32 16.536 13.671 0.271 1.00 0.00 C ATOM 1199 CZ2 TRP B 32 19.010 14.351 1.457 1.00 0.00 C ATOM 1200 CZ3 TRP B 32 17.697 13.741 -0.475 1.00 0.00 C ATOM 1201 CH2 TRP B 32 18.920 14.077 0.119 1.00 0.00 C ATOM 0 H TRP B 32 11.702 13.597 2.367 1.00 0.00 H new ATOM 0 HA TRP B 32 13.451 15.112 4.004 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.916 12.824 3.202 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.942 13.389 1.543 1.00 0.00 H new ATOM 0 HD1 TRP B 32 15.859 14.408 4.811 1.00 0.00 H new ATOM 0 HE1 TRP B 32 18.355 14.762 4.221 1.00 0.00 H new ATOM 0 HE3 TRP B 32 15.598 13.409 -0.195 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 19.954 14.613 1.912 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 17.661 13.533 -1.534 1.00 0.00 H new ATOM 0 HH2 TRP B 32 19.810 14.121 -0.491 1.00 0.00 H new ATOM 1212 N GLN B 33 12.979 16.173 0.939 1.00 0.00 N ATOM 1213 CA GLN B 33 13.213 17.292 0.033 1.00 0.00 C ATOM 1214 C GLN B 33 12.092 18.323 0.141 1.00 0.00 C ATOM 1215 O GLN B 33 12.008 19.248 -0.667 1.00 0.00 O ATOM 1216 CB GLN B 33 13.329 16.797 -1.411 1.00 0.00 C ATOM 1217 CG GLN B 33 14.500 15.856 -1.643 1.00 0.00 C ATOM 1218 CD GLN B 33 14.638 15.436 -3.095 1.00 0.00 C ATOM 1219 OE1 GLN B 33 15.741 15.181 -3.576 1.00 0.00 O ATOM 1220 NE2 GLN B 33 13.515 15.359 -3.802 1.00 0.00 N ATOM 0 H GLN B 33 12.304 15.488 0.599 1.00 0.00 H new ATOM 0 HA GLN B 33 14.151 17.767 0.321 1.00 0.00 H new ATOM 0 HB2 GLN B 33 12.405 16.288 -1.686 1.00 0.00 H new ATOM 0 HB3 GLN B 33 13.429 17.657 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN B 33 15.421 16.343 -1.321 1.00 0.00 H new ATOM 0 HG3 GLN B 33 14.375 14.968 -1.023 1.00 0.00 H new ATOM 0 HE21 GLN B 33 12.621 15.579 -3.364 1.00 0.00 H new ATOM 0 HE22 GLN B 33 13.548 15.080 -4.782 1.00 0.00 H new ATOM 1229 N LYS B 34 11.234 18.159 1.144 1.00 0.00 N ATOM 1230 CA LYS B 34 10.120 19.079 1.356 1.00 0.00 C ATOM 1231 C LYS B 34 9.942 19.389 2.840 1.00 0.00 C ATOM 1232 O LYS B 34 9.437 18.564 3.602 1.00 0.00 O ATOM 1233 CB LYS B 34 8.828 18.488 0.784 1.00 0.00 C ATOM 1234 CG LYS B 34 8.854 18.306 -0.727 1.00 0.00 C ATOM 1235 CD LYS B 34 8.906 19.643 -1.452 1.00 0.00 C ATOM 1236 CE LYS B 34 9.032 19.458 -2.955 1.00 0.00 C ATOM 1237 NZ LYS B 34 7.907 18.658 -3.515 1.00 0.00 N ATOM 0 H LYS B 34 11.288 17.399 1.822 1.00 0.00 H new ATOM 0 HA LYS B 34 10.346 20.010 0.836 1.00 0.00 H new ATOM 0 HB2 LYS B 34 8.642 17.522 1.254 1.00 0.00 H new ATOM 0 HB3 LYS B 34 7.994 19.138 1.048 1.00 0.00 H new ATOM 0 HG2 LYS B 34 9.720 17.706 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS B 34 7.968 17.754 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS B 34 8.005 20.214 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS B 34 9.751 20.225 -1.084 1.00 0.00 H new ATOM 0 HE2 LYS B 34 9.059 20.434 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS B 34 9.977 18.963 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 7.927 18.711 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 8.004 17.666 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 7.004 19.037 -3.166 1.00 0.00 H new ATOM 1251 N LYS B 35 10.363 20.585 3.241 1.00 0.00 N ATOM 1252 CA LYS B 35 10.258 21.014 4.632 1.00 0.00 C ATOM 1253 C LYS B 35 9.188 22.098 4.789 1.00 0.00 C ATOM 1254 O LYS B 35 9.308 23.178 4.210 1.00 0.00 O ATOM 1255 CB LYS B 35 11.611 21.544 5.117 1.00 0.00 C ATOM 1256 CG LYS B 35 11.602 22.027 6.559 1.00 0.00 C ATOM 1257 CD LYS B 35 12.946 22.617 6.960 1.00 0.00 C ATOM 1258 CE LYS B 35 13.223 23.926 6.235 1.00 0.00 C ATOM 1259 NZ LYS B 35 14.555 24.487 6.590 1.00 0.00 N ATOM 0 H LYS B 35 10.782 21.277 2.619 1.00 0.00 H new ATOM 0 HA LYS B 35 9.968 20.154 5.236 1.00 0.00 H new ATOM 0 HB2 LYS B 35 12.357 20.757 5.012 1.00 0.00 H new ATOM 0 HB3 LYS B 35 11.921 22.365 4.471 1.00 0.00 H new ATOM 0 HG2 LYS B 35 10.822 22.777 6.687 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.357 21.196 7.220 1.00 0.00 H new ATOM 0 HD2 LYS B 35 12.963 22.786 8.037 1.00 0.00 H new ATOM 0 HD3 LYS B 35 13.738 21.903 6.737 1.00 0.00 H new ATOM 0 HE2 LYS B 35 13.174 23.762 5.159 1.00 0.00 H new ATOM 0 HE3 LYS B 35 12.447 24.650 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 14.705 25.378 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 14.594 24.668 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 15.298 23.808 6.330 1.00 0.00 H new ATOM 1273 N PRO B 36 8.122 21.830 5.573 1.00 0.00 N ATOM 1274 CA PRO B 36 7.044 22.801 5.786 1.00 0.00 C ATOM 1275 C PRO B 36 7.475 23.963 6.676 1.00 0.00 C ATOM 1276 O PRO B 36 7.968 23.759 7.786 1.00 0.00 O ATOM 1277 CB PRO B 36 5.954 21.976 6.473 1.00 0.00 C ATOM 1278 CG PRO B 36 6.688 20.882 7.166 1.00 0.00 C ATOM 1279 CD PRO B 36 7.880 20.567 6.303 1.00 0.00 C ATOM 0 HA PRO B 36 6.723 23.264 4.853 1.00 0.00 H new ATOM 0 HB2 PRO B 36 5.386 22.581 7.179 1.00 0.00 H new ATOM 0 HB3 PRO B 36 5.243 21.579 5.749 1.00 0.00 H new ATOM 0 HG2 PRO B 36 7.000 21.193 8.163 1.00 0.00 H new ATOM 0 HG3 PRO B 36 6.054 20.004 7.290 1.00 0.00 H new ATOM 0 HD2 PRO B 36 8.744 20.278 6.902 1.00 0.00 H new ATOM 0 HD3 PRO B 36 7.675 19.742 5.621 1.00 0.00 H new ATOM 1287 N ARG B 37 7.284 25.182 6.179 1.00 0.00 N ATOM 1288 CA ARG B 37 7.647 26.383 6.926 1.00 0.00 C ATOM 1289 C ARG B 37 6.963 26.400 8.289 1.00 0.00 C ATOM 1290 O ARG B 37 5.876 25.847 8.457 1.00 0.00 O ATOM 1291 CB ARG B 37 7.279 27.644 6.134 1.00 0.00 C ATOM 1292 CG ARG B 37 5.781 27.854 5.951 1.00 0.00 C ATOM 1293 CD ARG B 37 5.196 26.896 4.923 1.00 0.00 C ATOM 1294 NE ARG B 37 3.759 27.090 4.747 1.00 0.00 N ATOM 1295 CZ ARG B 37 2.961 26.200 4.165 1.00 0.00 C ATOM 1296 NH1 ARG B 37 3.458 25.060 3.707 1.00 0.00 N ATOM 1297 NH2 ARG B 37 1.664 26.451 4.041 1.00 0.00 N ATOM 0 H ARG B 37 6.879 25.364 5.261 1.00 0.00 H new ATOM 0 HA ARG B 37 8.726 26.371 7.081 1.00 0.00 H new ATOM 0 HB2 ARG B 37 7.697 28.513 6.642 1.00 0.00 H new ATOM 0 HB3 ARG B 37 7.750 27.593 5.152 1.00 0.00 H new ATOM 0 HG2 ARG B 37 5.275 27.715 6.906 1.00 0.00 H new ATOM 0 HG3 ARG B 37 5.594 28.881 5.638 1.00 0.00 H new ATOM 0 HD2 ARG B 37 5.700 27.038 3.967 1.00 0.00 H new ATOM 0 HD3 ARG B 37 5.387 25.869 5.235 1.00 0.00 H new ATOM 0 HE ARG B 37 3.345 27.957 5.090 1.00 0.00 H new ATOM 0 HH11 ARG B 37 4.455 24.864 3.801 1.00 0.00 H new ATOM 0 HH12 ARG B 37 2.844 24.379 3.261 1.00 0.00 H new ATOM 0 HH21 ARG B 37 1.278 27.327 4.392 1.00 0.00 H new ATOM 0 HH22 ARG B 37 1.053 25.768 3.594 1.00 0.00 H new ATOM 1311 N TYR B 38 7.609 27.036 9.261 1.00 0.00 N ATOM 1312 CA TYR B 38 7.069 27.123 10.615 1.00 0.00 C ATOM 1313 C TYR B 38 6.645 28.549 10.944 1.00 0.00 C ATOM 1314 O TYR B 38 7.421 29.493 10.780 1.00 0.00 O ATOM 1315 CB TYR B 38 8.113 26.639 11.626 1.00 0.00 C ATOM 1316 CG TYR B 38 7.611 26.596 13.054 1.00 0.00 C ATOM 1317 CD1 TYR B 38 6.874 25.514 13.520 1.00 0.00 C ATOM 1318 CD2 TYR B 38 7.881 27.635 13.937 1.00 0.00 C ATOM 1319 CE1 TYR B 38 6.421 25.469 14.825 1.00 0.00 C ATOM 1320 CE2 TYR B 38 7.429 27.596 15.244 1.00 0.00 C ATOM 1321 CZ TYR B 38 6.701 26.512 15.682 1.00 0.00 C ATOM 1322 OH TYR B 38 6.252 26.470 16.982 1.00 0.00 O ATOM 0 H TYR B 38 8.509 27.500 9.137 1.00 0.00 H new ATOM 0 HA TYR B 38 6.188 26.484 10.673 1.00 0.00 H new ATOM 0 HB2 TYR B 38 8.448 25.642 11.339 1.00 0.00 H new ATOM 0 HB3 TYR B 38 8.983 27.294 11.577 1.00 0.00 H new ATOM 0 HD1 TYR B 38 6.652 24.695 12.852 1.00 0.00 H new ATOM 0 HD2 TYR B 38 8.453 28.486 13.597 1.00 0.00 H new ATOM 0 HE1 TYR B 38 5.850 24.620 15.172 1.00 0.00 H new ATOM 0 HE2 TYR B 38 7.646 28.412 15.918 1.00 0.00 H new ATOM 0 HH TYR B 38 6.536 27.282 17.452 1.00 0.00 H new ATOM 1332 N GLU B 39 5.408 28.702 11.406 1.00 0.00 N ATOM 1333 CA GLU B 39 4.879 30.016 11.760 1.00 0.00 C ATOM 1334 C GLU B 39 4.137 29.962 13.092 1.00 0.00 C ATOM 1335 O GLU B 39 4.441 30.795 13.974 1.00 0.00 O ATOM 1336 CB GLU B 39 3.944 30.527 10.661 1.00 0.00 C ATOM 1337 CG GLU B 39 4.657 30.858 9.360 1.00 0.00 C ATOM 1338 CD GLU B 39 3.702 31.308 8.272 1.00 0.00 C ATOM 1339 OE1 GLU B 39 3.026 32.339 8.464 1.00 0.00 O ATOM 1340 OE2 GLU B 39 3.631 30.628 7.227 1.00 0.00 O ATOM 1341 OXT GLU B 39 3.255 29.089 13.246 1.00 0.00 O ATOM 0 H GLU B 39 4.753 27.933 11.544 1.00 0.00 H new ATOM 0 HA GLU B 39 5.719 30.704 11.860 1.00 0.00 H new ATOM 0 HB2 GLU B 39 3.181 29.774 10.466 1.00 0.00 H new ATOM 0 HB3 GLU B 39 3.428 31.418 11.020 1.00 0.00 H new ATOM 0 HG2 GLU B 39 5.391 31.643 9.542 1.00 0.00 H new ATOM 0 HG3 GLU B 39 5.206 29.981 9.017 1.00 0.00 H new TER 1348 GLU B 39