USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 45 HIS HD1 : A 45 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ -117:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 MET CE :methyl 176:sc= -0.0566 (180deg=-0.117) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0924 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 25:sc= 0.312 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0151 F(o=-2.3!,f=-0.015) USER MOD Single : A 23 GLN :FLIP amide:sc= -3.84 F(o=-4.4,f=-3.8) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0553) USER MOD Single : A 32 MET CE :methyl -109:sc= -0.648 (180deg=-2.3!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -17:sc= -0.237 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.396 K(o=-0.4,f=-7.3!) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= 0.915 (180deg=0.243) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= -0.338 (180deg=-0.456) USER MOD Single : A 70 GLN : amide:sc= -2! C(o=-2!,f=-3!) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.2) USER MOD Single : A 74 MET CE :methyl 174:sc= 0 (180deg=-0.0644) USER MOD Single : A 75 SER OG : rot 180:sc=-0.00987 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.508 -42.382 29.268 1.00 0.00 N ATOM 2 CA GLY A 1 -36.247 -42.199 28.574 1.00 0.00 C ATOM 3 C GLY A 1 -36.290 -41.049 27.588 1.00 0.00 C ATOM 4 O GLY A 1 -37.273 -40.310 27.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.354 -42.304 30.294 1.00 0.00 H new ATOM 0 H2 GLY A 1 -38.182 -41.651 28.962 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.893 -43.322 29.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.457 -42.019 29.303 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.990 -43.117 28.046 1.00 0.00 H new ATOM 8 N SER A 2 -35.220 -40.895 26.813 1.00 0.00 N ATOM 9 CA SER A 2 -35.138 -39.823 25.828 1.00 0.00 C ATOM 10 C SER A 2 -33.911 -39.996 24.938 1.00 0.00 C ATOM 11 O SER A 2 -32.878 -40.502 25.377 1.00 0.00 O ATOM 12 CB SER A 2 -35.086 -38.463 26.527 1.00 0.00 C ATOM 13 OG SER A 2 -35.304 -37.408 25.606 1.00 0.00 O ATOM 0 H SER A 2 -34.399 -41.499 26.849 1.00 0.00 H new ATOM 0 HA SER A 2 -36.029 -39.869 25.202 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.840 -38.425 27.313 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.117 -38.335 27.009 1.00 0.00 H new ATOM 0 HG SER A 2 -35.268 -36.550 26.077 1.00 0.00 H new ATOM 19 N SER A 3 -34.033 -39.574 23.684 1.00 0.00 N ATOM 20 CA SER A 3 -32.937 -39.685 22.729 1.00 0.00 C ATOM 21 C SER A 3 -33.214 -38.849 21.483 1.00 0.00 C ATOM 22 O SER A 3 -34.285 -38.261 21.343 1.00 0.00 O ATOM 23 CB SER A 3 -32.720 -41.148 22.338 1.00 0.00 C ATOM 24 OG SER A 3 -33.826 -41.649 21.606 1.00 0.00 O ATOM 0 H SER A 3 -34.881 -39.152 23.305 1.00 0.00 H new ATOM 0 HA SER A 3 -32.033 -39.305 23.205 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.813 -41.237 21.740 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.571 -41.749 23.235 1.00 0.00 H new ATOM 0 HG SER A 3 -33.663 -42.585 21.366 1.00 0.00 H new ATOM 30 N GLY A 4 -32.238 -38.802 20.581 1.00 0.00 N ATOM 31 CA GLY A 4 -32.395 -38.036 19.359 1.00 0.00 C ATOM 32 C GLY A 4 -31.406 -36.891 19.261 1.00 0.00 C ATOM 33 O GLY A 4 -31.460 -35.947 20.048 1.00 0.00 O ATOM 0 H GLY A 4 -31.342 -39.281 20.675 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.268 -38.696 18.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.410 -37.641 19.309 1.00 0.00 H new ATOM 37 N SER A 5 -30.500 -36.975 18.292 1.00 0.00 N ATOM 38 CA SER A 5 -29.490 -35.941 18.098 1.00 0.00 C ATOM 39 C SER A 5 -29.052 -35.877 16.638 1.00 0.00 C ATOM 40 O SER A 5 -28.628 -36.878 16.061 1.00 0.00 O ATOM 41 CB SER A 5 -28.279 -36.205 18.994 1.00 0.00 C ATOM 42 OG SER A 5 -28.482 -35.679 20.294 1.00 0.00 O ATOM 0 H SER A 5 -30.445 -37.748 17.629 1.00 0.00 H new ATOM 0 HA SER A 5 -29.931 -34.982 18.370 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.096 -37.278 19.057 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.390 -35.756 18.551 1.00 0.00 H new ATOM 0 HG SER A 5 -29.443 -35.620 20.477 1.00 0.00 H new ATOM 48 N SER A 6 -29.160 -34.692 16.046 1.00 0.00 N ATOM 49 CA SER A 6 -28.779 -34.496 14.652 1.00 0.00 C ATOM 50 C SER A 6 -28.658 -33.011 14.325 1.00 0.00 C ATOM 51 O SER A 6 -29.406 -32.186 14.848 1.00 0.00 O ATOM 52 CB SER A 6 -29.803 -35.152 13.724 1.00 0.00 C ATOM 53 OG SER A 6 -29.628 -34.723 12.385 1.00 0.00 O ATOM 0 H SER A 6 -29.508 -33.853 16.510 1.00 0.00 H new ATOM 0 HA SER A 6 -27.807 -34.964 14.498 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.704 -36.236 13.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.811 -34.907 14.059 1.00 0.00 H new ATOM 0 HG SER A 6 -30.294 -35.158 11.812 1.00 0.00 H new ATOM 59 N GLY A 7 -27.709 -32.678 13.455 1.00 0.00 N ATOM 60 CA GLY A 7 -27.507 -31.292 13.073 1.00 0.00 C ATOM 61 C GLY A 7 -26.202 -30.730 13.601 1.00 0.00 C ATOM 62 O GLY A 7 -25.674 -31.207 14.605 1.00 0.00 O ATOM 0 H GLY A 7 -27.077 -33.342 13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.520 -31.212 11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.336 -30.691 13.447 1.00 0.00 H new ATOM 66 N SER A 8 -25.680 -29.713 12.923 1.00 0.00 N ATOM 67 CA SER A 8 -24.426 -29.088 13.327 1.00 0.00 C ATOM 68 C SER A 8 -24.463 -27.584 13.078 1.00 0.00 C ATOM 69 O SER A 8 -25.320 -27.085 12.346 1.00 0.00 O ATOM 70 CB SER A 8 -23.253 -29.713 12.569 1.00 0.00 C ATOM 71 OG SER A 8 -23.447 -29.627 11.168 1.00 0.00 O ATOM 0 H SER A 8 -26.106 -29.304 12.091 1.00 0.00 H new ATOM 0 HA SER A 8 -24.292 -29.258 14.395 1.00 0.00 H new ATOM 0 HB2 SER A 8 -22.328 -29.206 12.843 1.00 0.00 H new ATOM 0 HB3 SER A 8 -23.143 -30.757 12.861 1.00 0.00 H new ATOM 0 HG SER A 8 -22.683 -30.032 10.707 1.00 0.00 H new ATOM 77 N LEU A 9 -23.529 -26.865 13.691 1.00 0.00 N ATOM 78 CA LEU A 9 -23.454 -25.417 13.537 1.00 0.00 C ATOM 79 C LEU A 9 -22.160 -25.010 12.840 1.00 0.00 C ATOM 80 O LEU A 9 -21.186 -25.762 12.830 1.00 0.00 O ATOM 81 CB LEU A 9 -23.548 -24.733 14.902 1.00 0.00 C ATOM 82 CG LEU A 9 -24.956 -24.379 15.381 1.00 0.00 C ATOM 83 CD1 LEU A 9 -25.677 -23.536 14.340 1.00 0.00 C ATOM 84 CD2 LEU A 9 -25.748 -25.642 15.689 1.00 0.00 C ATOM 0 H LEU A 9 -22.813 -27.262 14.300 1.00 0.00 H new ATOM 0 HA LEU A 9 -24.294 -25.098 12.919 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -23.086 -25.384 15.645 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -22.957 -23.818 14.869 1.00 0.00 H new ATOM 0 HG LEU A 9 -24.872 -23.795 16.297 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -26.678 -23.293 14.698 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -25.120 -22.615 14.168 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -25.751 -24.095 13.407 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -26.748 -25.371 16.029 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -25.824 -26.253 14.789 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -25.241 -26.208 16.470 1.00 0.00 H new ATOM 96 N GLN A 10 -22.158 -23.814 12.259 1.00 0.00 N ATOM 97 CA GLN A 10 -20.982 -23.307 11.560 1.00 0.00 C ATOM 98 C GLN A 10 -20.841 -21.801 11.755 1.00 0.00 C ATOM 99 O GLN A 10 -21.809 -21.112 12.076 1.00 0.00 O ATOM 100 CB GLN A 10 -21.068 -23.635 10.069 1.00 0.00 C ATOM 101 CG GLN A 10 -20.769 -25.090 9.747 1.00 0.00 C ATOM 102 CD GLN A 10 -20.223 -25.278 8.346 1.00 0.00 C ATOM 103 OE1 GLN A 10 -19.015 -25.199 8.122 1.00 0.00 O ATOM 104 NE2 GLN A 10 -21.113 -25.529 7.392 1.00 0.00 N ATOM 0 H GLN A 10 -22.956 -23.179 12.258 1.00 0.00 H new ATOM 0 HA GLN A 10 -20.102 -23.793 11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -22.067 -23.390 9.709 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -20.369 -23.000 9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.049 -25.477 10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -21.680 -25.678 9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -22.105 -25.586 7.622 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.804 -25.665 6.429 1.00 0.00 H new ATOM 113 N LYS A 11 -19.628 -21.296 11.559 1.00 0.00 N ATOM 114 CA LYS A 11 -19.359 -19.871 11.711 1.00 0.00 C ATOM 115 C LYS A 11 -17.933 -19.538 11.282 1.00 0.00 C ATOM 116 O LYS A 11 -17.019 -20.342 11.459 1.00 0.00 O ATOM 117 CB LYS A 11 -19.579 -19.442 13.164 1.00 0.00 C ATOM 118 CG LYS A 11 -19.134 -18.018 13.452 1.00 0.00 C ATOM 119 CD LYS A 11 -19.300 -17.669 14.921 1.00 0.00 C ATOM 120 CE LYS A 11 -18.125 -18.168 15.749 1.00 0.00 C ATOM 121 NZ LYS A 11 -17.020 -17.172 15.800 1.00 0.00 N ATOM 0 H LYS A 11 -18.815 -21.853 11.294 1.00 0.00 H new ATOM 0 HA LYS A 11 -20.050 -19.325 11.069 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -20.637 -19.539 13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.038 -20.123 13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.090 -17.897 13.164 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.715 -17.324 12.844 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.391 -16.588 15.031 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.224 -18.107 15.298 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.462 -18.389 16.762 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.753 -19.101 15.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.239 -17.549 16.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.681 -16.980 14.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.367 -16.290 16.227 1.00 0.00 H new ATOM 135 N GLU A 12 -17.752 -18.347 10.720 1.00 0.00 N ATOM 136 CA GLU A 12 -16.437 -17.908 10.267 1.00 0.00 C ATOM 137 C GLU A 12 -16.342 -16.385 10.266 1.00 0.00 C ATOM 138 O GLU A 12 -17.356 -15.690 10.337 1.00 0.00 O ATOM 139 CB GLU A 12 -16.149 -18.450 8.865 1.00 0.00 C ATOM 140 CG GLU A 12 -14.674 -18.695 8.599 1.00 0.00 C ATOM 141 CD GLU A 12 -14.417 -19.256 7.214 1.00 0.00 C ATOM 142 OE1 GLU A 12 -14.918 -18.668 6.233 1.00 0.00 O ATOM 143 OE2 GLU A 12 -13.714 -20.284 7.110 1.00 0.00 O ATOM 0 H GLU A 12 -18.499 -17.669 10.568 1.00 0.00 H new ATOM 0 HA GLU A 12 -15.693 -18.300 10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -16.695 -19.383 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -16.531 -17.745 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.127 -17.759 8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.284 -19.387 9.345 1.00 0.00 H new ATOM 150 N ILE A 13 -15.118 -15.875 10.184 1.00 0.00 N ATOM 151 CA ILE A 13 -14.890 -14.435 10.173 1.00 0.00 C ATOM 152 C ILE A 13 -15.003 -13.872 8.760 1.00 0.00 C ATOM 153 O ILE A 13 -14.591 -14.510 7.792 1.00 0.00 O ATOM 154 CB ILE A 13 -13.506 -14.080 10.746 1.00 0.00 C ATOM 155 CG1 ILE A 13 -13.299 -14.764 12.099 1.00 0.00 C ATOM 156 CG2 ILE A 13 -13.359 -12.572 10.881 1.00 0.00 C ATOM 157 CD1 ILE A 13 -11.886 -14.645 12.627 1.00 0.00 C ATOM 0 H ILE A 13 -14.269 -16.437 10.124 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.660 -13.988 10.802 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.741 -14.440 10.057 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.987 -14.331 12.825 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.556 -15.819 12.007 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.375 -12.337 11.287 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -13.467 -12.107 9.901 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.129 -12.190 11.551 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.813 -15.153 13.589 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.194 -15.104 11.921 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.632 -13.592 12.752 1.00 0.00 H new ATOM 169 N SER A 14 -15.562 -12.671 8.651 1.00 0.00 N ATOM 170 CA SER A 14 -15.731 -12.022 7.356 1.00 0.00 C ATOM 171 C SER A 14 -14.428 -11.371 6.901 1.00 0.00 C ATOM 172 O SER A 14 -13.466 -11.278 7.664 1.00 0.00 O ATOM 173 CB SER A 14 -16.841 -10.971 7.430 1.00 0.00 C ATOM 174 OG SER A 14 -18.081 -11.563 7.775 1.00 0.00 O ATOM 0 H SER A 14 -15.905 -12.128 9.443 1.00 0.00 H new ATOM 0 HA SER A 14 -16.010 -12.784 6.628 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.579 -10.212 8.167 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.931 -10.464 6.469 1.00 0.00 H new ATOM 0 HG SER A 14 -18.773 -10.871 7.818 1.00 0.00 H new ATOM 180 N THR A 15 -14.405 -10.920 5.650 1.00 0.00 N ATOM 181 CA THR A 15 -13.221 -10.279 5.091 1.00 0.00 C ATOM 182 C THR A 15 -12.911 -8.973 5.813 1.00 0.00 C ATOM 183 O THR A 15 -11.751 -8.582 5.936 1.00 0.00 O ATOM 184 CB THR A 15 -13.395 -9.993 3.588 1.00 0.00 C ATOM 185 OG1 THR A 15 -12.158 -9.535 3.030 1.00 0.00 O ATOM 186 CG2 THR A 15 -14.478 -8.949 3.357 1.00 0.00 C ATOM 0 H THR A 15 -15.193 -10.987 5.005 1.00 0.00 H new ATOM 0 HA THR A 15 -12.391 -10.972 5.228 1.00 0.00 H new ATOM 0 HB THR A 15 -13.694 -10.919 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.277 -9.357 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.583 -8.764 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.425 -9.312 3.757 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.203 -8.022 3.861 1.00 0.00 H new ATOM 194 N GLU A 16 -13.956 -8.302 6.290 1.00 0.00 N ATOM 195 CA GLU A 16 -13.793 -7.039 7.000 1.00 0.00 C ATOM 196 C GLU A 16 -12.897 -7.215 8.223 1.00 0.00 C ATOM 197 O GLU A 16 -11.820 -6.625 8.305 1.00 0.00 O ATOM 198 CB GLU A 16 -15.155 -6.489 7.426 1.00 0.00 C ATOM 199 CG GLU A 16 -16.031 -6.063 6.260 1.00 0.00 C ATOM 200 CD GLU A 16 -16.387 -7.218 5.345 1.00 0.00 C ATOM 201 OE1 GLU A 16 -16.711 -8.307 5.864 1.00 0.00 O ATOM 202 OE2 GLU A 16 -16.341 -7.034 4.111 1.00 0.00 O ATOM 0 H GLU A 16 -14.923 -8.612 6.197 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.319 -6.329 6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.680 -7.249 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.002 -5.635 8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.947 -5.613 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.515 -5.294 5.685 1.00 0.00 H new ATOM 209 N GLU A 17 -13.352 -8.028 9.170 1.00 0.00 N ATOM 210 CA GLU A 17 -12.593 -8.280 10.390 1.00 0.00 C ATOM 211 C GLU A 17 -11.266 -8.965 10.073 1.00 0.00 C ATOM 212 O GLU A 17 -10.203 -8.502 10.486 1.00 0.00 O ATOM 213 CB GLU A 17 -13.407 -9.142 11.356 1.00 0.00 C ATOM 214 CG GLU A 17 -13.046 -8.929 12.816 1.00 0.00 C ATOM 215 CD GLU A 17 -13.428 -7.549 13.316 1.00 0.00 C ATOM 216 OE1 GLU A 17 -14.601 -7.158 13.136 1.00 0.00 O ATOM 217 OE2 GLU A 17 -12.556 -6.861 13.886 1.00 0.00 O ATOM 0 H GLU A 17 -14.242 -8.524 9.117 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.383 -7.320 10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.466 -8.926 11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.260 -10.192 11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.546 -9.683 13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.974 -9.075 12.946 1.00 0.00 H new ATOM 224 N GLN A 18 -11.339 -10.071 9.339 1.00 0.00 N ATOM 225 CA GLN A 18 -10.145 -10.821 8.969 1.00 0.00 C ATOM 226 C GLN A 18 -9.039 -9.884 8.495 1.00 0.00 C ATOM 227 O GLN A 18 -7.983 -9.786 9.121 1.00 0.00 O ATOM 228 CB GLN A 18 -10.474 -11.836 7.873 1.00 0.00 C ATOM 229 CG GLN A 18 -11.196 -13.072 8.385 1.00 0.00 C ATOM 230 CD GLN A 18 -11.486 -14.076 7.287 1.00 0.00 C ATOM 231 OE1 GLN A 18 -12.366 -13.706 6.364 1.00 0.00 O flip ATOM 232 NE2 GLN A 18 -10.925 -15.172 7.267 1.00 0.00 N flip ATOM 0 H GLN A 18 -12.212 -10.467 8.989 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.792 -11.353 9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.091 -11.353 7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.549 -12.142 7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.591 -13.548 9.157 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.133 -12.772 8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.255 -15.415 7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.130 -15.836 6.521 1.00 0.00 H new ATOM 241 N LEU A 19 -9.287 -9.197 7.385 1.00 0.00 N ATOM 242 CA LEU A 19 -8.312 -8.267 6.826 1.00 0.00 C ATOM 243 C LEU A 19 -7.797 -7.310 7.896 1.00 0.00 C ATOM 244 O LEU A 19 -6.591 -7.095 8.022 1.00 0.00 O ATOM 245 CB LEU A 19 -8.934 -7.476 5.675 1.00 0.00 C ATOM 246 CG LEU A 19 -8.870 -8.134 4.296 1.00 0.00 C ATOM 247 CD1 LEU A 19 -9.251 -9.603 4.387 1.00 0.00 C ATOM 248 CD2 LEU A 19 -9.776 -7.405 3.314 1.00 0.00 C ATOM 0 H LEU A 19 -10.155 -9.267 6.854 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.470 -8.846 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.980 -7.284 5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.438 -6.507 5.617 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.845 -8.068 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.200 -10.054 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.561 -10.117 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.266 -9.692 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.718 -7.887 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.804 -7.438 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.456 -6.367 3.225 1.00 0.00 H new ATOM 260 N ARG A 20 -8.718 -6.741 8.666 1.00 0.00 N ATOM 261 CA ARG A 20 -8.357 -5.807 9.726 1.00 0.00 C ATOM 262 C ARG A 20 -7.275 -6.398 10.626 1.00 0.00 C ATOM 263 O ARG A 20 -6.629 -5.681 11.390 1.00 0.00 O ATOM 264 CB ARG A 20 -9.588 -5.448 10.560 1.00 0.00 C ATOM 265 CG ARG A 20 -10.326 -4.218 10.058 1.00 0.00 C ATOM 266 CD ARG A 20 -11.802 -4.266 10.421 1.00 0.00 C ATOM 267 NE ARG A 20 -12.362 -2.931 10.612 1.00 0.00 N ATOM 268 CZ ARG A 20 -13.422 -2.680 11.373 1.00 0.00 C ATOM 269 NH1 ARG A 20 -14.032 -3.669 12.011 1.00 0.00 N ATOM 270 NH2 ARG A 20 -13.873 -1.438 11.496 1.00 0.00 N ATOM 0 H ARG A 20 -9.720 -6.910 8.576 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.965 -4.902 9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.273 -6.296 10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.281 -5.281 11.592 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.874 -3.322 10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.219 -4.145 8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.352 -4.781 9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.932 -4.848 11.334 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.915 -2.148 10.135 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.688 -4.625 11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.846 -3.474 12.595 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.406 -0.675 11.006 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.687 -1.246 12.080 1.00 0.00 H new ATOM 284 N ARG A 21 -7.085 -7.710 10.530 1.00 0.00 N ATOM 285 CA ARG A 21 -6.083 -8.398 11.336 1.00 0.00 C ATOM 286 C ARG A 21 -4.721 -8.372 10.648 1.00 0.00 C ATOM 287 O ARG A 21 -3.722 -7.963 11.241 1.00 0.00 O ATOM 288 CB ARG A 21 -6.510 -9.844 11.592 1.00 0.00 C ATOM 289 CG ARG A 21 -7.877 -9.970 12.244 1.00 0.00 C ATOM 290 CD ARG A 21 -8.183 -11.410 12.624 1.00 0.00 C ATOM 291 NE ARG A 21 -7.593 -11.774 13.910 1.00 0.00 N ATOM 292 CZ ARG A 21 -8.259 -11.742 15.059 1.00 0.00 C ATOM 293 NH1 ARG A 21 -9.530 -11.366 15.083 1.00 0.00 N ATOM 294 NH2 ARG A 21 -7.653 -12.088 16.188 1.00 0.00 N ATOM 0 H ARG A 21 -7.611 -8.318 9.902 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.999 -7.877 12.290 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.517 -10.385 10.645 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.768 -10.326 12.228 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.916 -9.342 13.134 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.642 -9.603 11.561 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.263 -11.552 12.667 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.805 -12.077 11.850 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.617 -12.069 13.927 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.000 -11.100 14.217 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.038 -11.343 15.967 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.675 -12.379 16.174 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.165 -12.063 17.070 1.00 0.00 H new ATOM 308 N LEU A 22 -4.688 -8.813 9.395 1.00 0.00 N ATOM 309 CA LEU A 22 -3.449 -8.841 8.626 1.00 0.00 C ATOM 310 C LEU A 22 -3.219 -7.511 7.915 1.00 0.00 C ATOM 311 O LEU A 22 -2.134 -6.936 7.992 1.00 0.00 O ATOM 312 CB LEU A 22 -3.485 -9.979 7.605 1.00 0.00 C ATOM 313 CG LEU A 22 -4.842 -10.256 6.957 1.00 0.00 C ATOM 314 CD1 LEU A 22 -4.661 -10.764 5.535 1.00 0.00 C ATOM 315 CD2 LEU A 22 -5.635 -11.256 7.785 1.00 0.00 C ATOM 0 H LEU A 22 -5.505 -9.156 8.890 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.624 -9.009 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.767 -9.755 6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.146 -10.891 8.096 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.402 -9.321 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.637 -10.956 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.134 -10.014 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.081 -11.687 5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.598 -11.441 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.080 -12.191 7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.797 -10.853 8.785 1.00 0.00 H new ATOM 327 N GLN A 23 -4.247 -7.029 7.226 1.00 0.00 N ATOM 328 CA GLN A 23 -4.157 -5.766 6.503 1.00 0.00 C ATOM 329 C GLN A 23 -3.653 -4.652 7.414 1.00 0.00 C ATOM 330 O GLN A 23 -3.009 -3.708 6.958 1.00 0.00 O ATOM 331 CB GLN A 23 -5.520 -5.388 5.921 1.00 0.00 C ATOM 332 CG GLN A 23 -6.009 -6.345 4.845 1.00 0.00 C ATOM 333 CD GLN A 23 -6.917 -5.673 3.835 1.00 0.00 C ATOM 334 OE1 GLN A 23 -7.045 -6.277 2.659 1.00 0.00 O flip ATOM 335 NE2 GLN A 23 -7.498 -4.622 4.108 1.00 0.00 N flip ATOM 0 H GLN A 23 -5.152 -7.493 7.153 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.445 -5.894 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.253 -5.355 6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.461 -4.383 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.150 -6.773 4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.543 -7.171 5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.371 -4.192 5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.106 -4.181 3.418 1.00 0.00 H new ATOM 344 N GLU A 24 -3.953 -4.768 8.704 1.00 0.00 N ATOM 345 CA GLU A 24 -3.531 -3.769 9.679 1.00 0.00 C ATOM 346 C GLU A 24 -2.099 -4.028 10.138 1.00 0.00 C ATOM 347 O GLU A 24 -1.675 -3.538 11.184 1.00 0.00 O ATOM 348 CB GLU A 24 -4.473 -3.771 10.884 1.00 0.00 C ATOM 349 CG GLU A 24 -5.844 -3.186 10.587 1.00 0.00 C ATOM 350 CD GLU A 24 -5.828 -1.671 10.516 1.00 0.00 C ATOM 351 OE1 GLU A 24 -4.891 -1.116 9.906 1.00 0.00 O ATOM 352 OE2 GLU A 24 -6.753 -1.041 11.071 1.00 0.00 O ATOM 0 H GLU A 24 -4.486 -5.543 9.098 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.569 -2.791 9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.593 -4.795 11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.014 -3.205 11.694 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.209 -3.587 9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.545 -3.503 11.359 1.00 0.00 H new ATOM 359 N GLU A 25 -1.361 -4.801 9.348 1.00 0.00 N ATOM 360 CA GLU A 25 0.023 -5.126 9.675 1.00 0.00 C ATOM 361 C GLU A 25 0.963 -4.693 8.553 1.00 0.00 C ATOM 362 O GLU A 25 2.179 -4.639 8.733 1.00 0.00 O ATOM 363 CB GLU A 25 0.171 -6.628 9.928 1.00 0.00 C ATOM 364 CG GLU A 25 -0.714 -7.146 11.049 1.00 0.00 C ATOM 365 CD GLU A 25 -0.226 -8.465 11.615 1.00 0.00 C ATOM 366 OE1 GLU A 25 0.007 -9.401 10.821 1.00 0.00 O ATOM 367 OE2 GLU A 25 -0.075 -8.562 12.851 1.00 0.00 O ATOM 0 H GLU A 25 -1.697 -5.214 8.478 1.00 0.00 H new ATOM 0 HA GLU A 25 0.293 -4.584 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.065 -7.167 9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.212 -6.847 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.754 -6.405 11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.731 -7.269 10.677 1.00 0.00 H new ATOM 374 N LYS A 26 0.389 -4.385 7.395 1.00 0.00 N ATOM 375 CA LYS A 26 1.173 -3.955 6.243 1.00 0.00 C ATOM 376 C LYS A 26 1.109 -2.441 6.074 1.00 0.00 C ATOM 377 O LYS A 26 2.139 -1.771 5.989 1.00 0.00 O ATOM 378 CB LYS A 26 0.669 -4.643 4.972 1.00 0.00 C ATOM 379 CG LYS A 26 0.478 -6.141 5.126 1.00 0.00 C ATOM 380 CD LYS A 26 -0.481 -6.691 4.083 1.00 0.00 C ATOM 381 CE LYS A 26 -0.906 -8.114 4.411 1.00 0.00 C ATOM 382 NZ LYS A 26 -2.138 -8.509 3.675 1.00 0.00 N ATOM 0 H LYS A 26 -0.617 -4.425 7.229 1.00 0.00 H new ATOM 0 HA LYS A 26 2.211 -4.239 6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.279 -4.193 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.376 -4.457 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.441 -6.643 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.097 -6.359 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.362 -6.052 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.005 -6.669 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.098 -8.801 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.080 -8.203 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.328 -9.519 3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.943 -7.948 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.005 -8.336 2.658 1.00 0.00 H new ATOM 396 N LEU A 27 -0.107 -1.907 6.029 1.00 0.00 N ATOM 397 CA LEU A 27 -0.306 -0.470 5.873 1.00 0.00 C ATOM 398 C LEU A 27 0.592 0.311 6.827 1.00 0.00 C ATOM 399 O LEU A 27 1.327 -0.273 7.624 1.00 0.00 O ATOM 400 CB LEU A 27 -1.771 -0.108 6.122 1.00 0.00 C ATOM 401 CG LEU A 27 -2.224 -0.108 7.582 1.00 0.00 C ATOM 402 CD1 LEU A 27 -1.428 -1.123 8.388 1.00 0.00 C ATOM 403 CD2 LEU A 27 -2.082 1.283 8.184 1.00 0.00 C ATOM 0 H LEU A 27 -0.969 -2.447 6.098 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.040 -0.200 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.955 0.882 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.397 -0.808 5.568 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.276 -0.392 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.764 -1.109 9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.580 -2.119 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.369 -0.870 8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.409 1.265 9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.039 1.595 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.697 1.987 7.623 1.00 0.00 H new ATOM 415 N CYS A 28 0.526 1.636 6.742 1.00 0.00 N ATOM 416 CA CYS A 28 1.331 2.498 7.598 1.00 0.00 C ATOM 417 C CYS A 28 1.336 1.986 9.036 1.00 0.00 C ATOM 418 O CYS A 28 0.549 1.111 9.398 1.00 0.00 O ATOM 419 CB CYS A 28 0.798 3.932 7.559 1.00 0.00 C ATOM 420 SG CYS A 28 1.955 5.174 8.220 1.00 0.00 S ATOM 0 H CYS A 28 -0.077 2.136 6.088 1.00 0.00 H new ATOM 0 HA CYS A 28 2.354 2.486 7.223 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.555 4.190 6.528 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.131 3.978 8.127 1.00 0.00 H new ATOM 425 N LYS A 29 2.228 2.537 9.852 1.00 0.00 N ATOM 426 CA LYS A 29 2.336 2.139 11.250 1.00 0.00 C ATOM 427 C LYS A 29 2.202 3.346 12.172 1.00 0.00 C ATOM 428 O LYS A 29 1.636 3.247 13.261 1.00 0.00 O ATOM 429 CB LYS A 29 3.674 1.439 11.500 1.00 0.00 C ATOM 430 CG LYS A 29 3.944 0.284 10.551 1.00 0.00 C ATOM 431 CD LYS A 29 4.768 -0.804 11.217 1.00 0.00 C ATOM 432 CE LYS A 29 6.164 -0.311 11.567 1.00 0.00 C ATOM 433 NZ LYS A 29 6.902 -1.290 12.413 1.00 0.00 N ATOM 0 H LYS A 29 2.887 3.262 9.568 1.00 0.00 H new ATOM 0 HA LYS A 29 1.523 1.446 11.468 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.479 2.169 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.694 1.068 12.525 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.998 -0.134 10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.469 0.651 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.263 -1.142 12.122 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.841 -1.665 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.725 -0.128 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.092 0.641 12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.110 -0.862 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.319 -2.141 12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.793 -1.552 11.944 1.00 0.00 H new ATOM 447 N ILE A 30 2.724 4.485 11.728 1.00 0.00 N ATOM 448 CA ILE A 30 2.659 5.711 12.513 1.00 0.00 C ATOM 449 C ILE A 30 1.227 6.227 12.610 1.00 0.00 C ATOM 450 O ILE A 30 0.643 6.269 13.694 1.00 0.00 O ATOM 451 CB ILE A 30 3.549 6.814 11.909 1.00 0.00 C ATOM 452 CG1 ILE A 30 5.025 6.508 12.172 1.00 0.00 C ATOM 453 CG2 ILE A 30 3.173 8.172 12.483 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.630 5.546 11.174 1.00 0.00 C ATOM 0 H ILE A 30 3.196 4.584 10.829 1.00 0.00 H new ATOM 0 HA ILE A 30 3.023 5.466 13.511 1.00 0.00 H new ATOM 0 HB ILE A 30 3.389 6.841 10.831 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.590 7.440 12.154 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.128 6.092 13.174 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.811 8.941 12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.131 8.390 12.250 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.308 8.160 13.565 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.678 5.375 11.422 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.090 4.600 11.208 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.559 5.969 10.172 1.00 0.00 H new ATOM 466 N CYS A 31 0.665 6.616 11.471 1.00 0.00 N ATOM 467 CA CYS A 31 -0.699 7.127 11.426 1.00 0.00 C ATOM 468 C CYS A 31 -1.705 5.985 11.313 1.00 0.00 C ATOM 469 O CYS A 31 -2.757 6.005 11.950 1.00 0.00 O ATOM 470 CB CYS A 31 -0.868 8.088 10.248 1.00 0.00 C ATOM 471 SG CYS A 31 -0.906 7.270 8.621 1.00 0.00 S ATOM 0 H CYS A 31 1.134 6.587 10.566 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.889 7.665 12.355 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.792 8.651 10.382 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.051 8.809 10.261 1.00 0.00 H new ATOM 476 N MET A 32 -1.372 4.990 10.497 1.00 0.00 N ATOM 477 CA MET A 32 -2.245 3.838 10.302 1.00 0.00 C ATOM 478 C MET A 32 -3.591 4.267 9.726 1.00 0.00 C ATOM 479 O MET A 32 -4.643 3.830 10.191 1.00 0.00 O ATOM 480 CB MET A 32 -2.456 3.100 11.625 1.00 0.00 C ATOM 481 CG MET A 32 -1.263 2.258 12.047 1.00 0.00 C ATOM 482 SD MET A 32 -1.738 0.831 13.043 1.00 0.00 S ATOM 483 CE MET A 32 -1.027 -0.503 12.082 1.00 0.00 C ATOM 0 H MET A 32 -0.505 4.958 9.961 1.00 0.00 H new ATOM 0 HA MET A 32 -1.763 3.165 9.592 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.672 3.828 12.407 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.332 2.457 11.537 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.732 1.916 11.159 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.568 2.877 12.614 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.824 -1.073 11.605 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.368 -0.090 11.318 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.455 -1.159 12.738 1.00 0.00 H new ATOM 493 N ASP A 33 -3.549 5.126 8.713 1.00 0.00 N ATOM 494 CA ASP A 33 -4.765 5.614 8.073 1.00 0.00 C ATOM 495 C ASP A 33 -4.753 5.310 6.578 1.00 0.00 C ATOM 496 O ASP A 33 -5.775 4.938 6.002 1.00 0.00 O ATOM 497 CB ASP A 33 -4.917 7.119 8.299 1.00 0.00 C ATOM 498 CG ASP A 33 -5.642 7.440 9.592 1.00 0.00 C ATOM 499 OD1 ASP A 33 -5.121 7.082 10.669 1.00 0.00 O ATOM 500 OD2 ASP A 33 -6.729 8.050 9.526 1.00 0.00 O ATOM 0 H ASP A 33 -2.686 5.499 8.318 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.614 5.099 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.931 7.583 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.462 7.556 7.462 1.00 0.00 H new ATOM 505 N ARG A 34 -3.589 5.473 5.957 1.00 0.00 N ATOM 506 CA ARG A 34 -3.444 5.218 4.528 1.00 0.00 C ATOM 507 C ARG A 34 -2.595 3.974 4.281 1.00 0.00 C ATOM 508 O ARG A 34 -1.914 3.487 5.182 1.00 0.00 O ATOM 509 CB ARG A 34 -2.812 6.426 3.835 1.00 0.00 C ATOM 510 CG ARG A 34 -3.595 7.715 4.023 1.00 0.00 C ATOM 511 CD ARG A 34 -3.104 8.807 3.085 1.00 0.00 C ATOM 512 NE ARG A 34 -3.719 8.710 1.763 1.00 0.00 N ATOM 513 CZ ARG A 34 -3.978 9.762 0.994 1.00 0.00 C ATOM 514 NH1 ARG A 34 -3.677 10.983 1.413 1.00 0.00 N ATOM 515 NH2 ARG A 34 -4.538 9.593 -0.196 1.00 0.00 N ATOM 0 H ARG A 34 -2.734 5.780 6.420 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.437 5.047 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.801 6.566 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.723 6.217 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.654 7.528 3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.501 8.052 5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.325 9.783 3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.020 8.740 2.987 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.963 7.784 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.246 11.116 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.877 11.789 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.770 8.655 -0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.736 10.401 -0.786 1.00 0.00 H new ATOM 529 N ASN A 35 -2.642 3.466 3.054 1.00 0.00 N ATOM 530 CA ASN A 35 -1.879 2.279 2.688 1.00 0.00 C ATOM 531 C ASN A 35 -0.469 2.655 2.242 1.00 0.00 C ATOM 532 O ASN A 35 -0.290 3.393 1.272 1.00 0.00 O ATOM 533 CB ASN A 35 -2.592 1.512 1.573 1.00 0.00 C ATOM 534 CG ASN A 35 -2.271 0.030 1.594 1.00 0.00 C ATOM 535 OD1 ASN A 35 -1.305 -0.417 0.975 1.00 0.00 O ATOM 536 ND2 ASN A 35 -3.084 -0.741 2.308 1.00 0.00 N ATOM 0 H ASN A 35 -3.201 3.858 2.296 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.804 1.640 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.669 1.649 1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.305 1.929 0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.919 -1.746 2.359 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.873 -0.328 2.805 1.00 0.00 H new ATOM 543 N ILE A 36 0.528 2.142 2.955 1.00 0.00 N ATOM 544 CA ILE A 36 1.921 2.423 2.632 1.00 0.00 C ATOM 545 C ILE A 36 2.173 2.297 1.133 1.00 0.00 C ATOM 546 O ILE A 36 1.999 1.226 0.552 1.00 0.00 O ATOM 547 CB ILE A 36 2.875 1.476 3.383 1.00 0.00 C ATOM 548 CG1 ILE A 36 2.342 0.042 3.343 1.00 0.00 C ATOM 549 CG2 ILE A 36 3.058 1.939 4.820 1.00 0.00 C ATOM 550 CD1 ILE A 36 2.976 -0.809 2.265 1.00 0.00 C ATOM 0 H ILE A 36 0.397 1.530 3.760 1.00 0.00 H new ATOM 0 HA ILE A 36 2.118 3.448 2.947 1.00 0.00 H new ATOM 0 HB ILE A 36 3.846 1.496 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.512 -0.427 4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.264 0.068 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.735 1.259 5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.478 2.945 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.093 1.945 5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.550 -1.812 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.784 -0.363 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.052 -0.866 2.432 1.00 0.00 H new ATOM 562 N ALA A 37 2.587 3.398 0.514 1.00 0.00 N ATOM 563 CA ALA A 37 2.867 3.410 -0.917 1.00 0.00 C ATOM 564 C ALA A 37 4.177 4.133 -1.213 1.00 0.00 C ATOM 565 O ALA A 37 4.361 4.682 -2.300 1.00 0.00 O ATOM 566 CB ALA A 37 1.719 4.061 -1.674 1.00 0.00 C ATOM 0 H ALA A 37 2.736 4.293 0.981 1.00 0.00 H new ATOM 0 HA ALA A 37 2.968 2.378 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.942 4.063 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.801 3.500 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.590 5.087 -1.328 1.00 0.00 H new ATOM 572 N ILE A 38 5.082 4.130 -0.241 1.00 0.00 N ATOM 573 CA ILE A 38 6.374 4.785 -0.399 1.00 0.00 C ATOM 574 C ILE A 38 7.462 4.051 0.377 1.00 0.00 C ATOM 575 O ILE A 38 7.213 3.510 1.454 1.00 0.00 O ATOM 576 CB ILE A 38 6.324 6.251 0.072 1.00 0.00 C ATOM 577 CG1 ILE A 38 5.420 7.074 -0.848 1.00 0.00 C ATOM 578 CG2 ILE A 38 7.725 6.842 0.115 1.00 0.00 C ATOM 579 CD1 ILE A 38 5.959 7.215 -2.255 1.00 0.00 C ATOM 0 H ILE A 38 4.944 3.681 0.665 1.00 0.00 H new ATOM 0 HA ILE A 38 6.611 4.761 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 38 5.908 6.280 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.436 6.607 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.284 8.066 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.673 7.878 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.341 6.268 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.167 6.804 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.267 7.810 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.930 7.709 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.068 6.228 -2.703 1.00 0.00 H new ATOM 591 N VAL A 39 8.670 4.037 -0.177 1.00 0.00 N ATOM 592 CA VAL A 39 9.798 3.372 0.464 1.00 0.00 C ATOM 593 C VAL A 39 10.959 4.337 0.673 1.00 0.00 C ATOM 594 O VAL A 39 10.881 5.509 0.303 1.00 0.00 O ATOM 595 CB VAL A 39 10.287 2.170 -0.366 1.00 0.00 C ATOM 596 CG1 VAL A 39 9.106 1.392 -0.926 1.00 0.00 C ATOM 597 CG2 VAL A 39 11.208 2.634 -1.484 1.00 0.00 C ATOM 0 H VAL A 39 8.893 4.479 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 39 9.446 3.016 1.432 1.00 0.00 H new ATOM 0 HB VAL A 39 10.852 1.506 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.471 0.547 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.489 1.027 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.511 2.044 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.544 1.772 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.669 3.320 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.072 3.143 -1.056 1.00 0.00 H new ATOM 607 N PHE A 40 12.037 3.837 1.268 1.00 0.00 N ATOM 608 CA PHE A 40 13.216 4.655 1.527 1.00 0.00 C ATOM 609 C PHE A 40 14.419 4.141 0.741 1.00 0.00 C ATOM 610 O PHE A 40 14.393 3.038 0.196 1.00 0.00 O ATOM 611 CB PHE A 40 13.537 4.666 3.023 1.00 0.00 C ATOM 612 CG PHE A 40 12.416 5.191 3.873 1.00 0.00 C ATOM 613 CD1 PHE A 40 11.747 6.352 3.521 1.00 0.00 C ATOM 614 CD2 PHE A 40 12.030 4.523 5.024 1.00 0.00 C ATOM 615 CE1 PHE A 40 10.715 6.837 4.302 1.00 0.00 C ATOM 616 CE2 PHE A 40 10.999 5.003 5.809 1.00 0.00 C ATOM 617 CZ PHE A 40 10.339 6.161 5.446 1.00 0.00 C ATOM 0 H PHE A 40 12.118 2.869 1.580 1.00 0.00 H new ATOM 0 HA PHE A 40 13.000 5.672 1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.780 3.652 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.426 5.275 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.035 6.884 2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.541 3.616 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.203 7.744 4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.710 4.474 6.705 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.531 6.537 6.056 1.00 0.00 H new ATOM 627 N VAL A 41 15.473 4.950 0.687 1.00 0.00 N ATOM 628 CA VAL A 41 16.686 4.577 -0.032 1.00 0.00 C ATOM 629 C VAL A 41 17.932 4.993 0.741 1.00 0.00 C ATOM 630 O VAL A 41 18.014 6.092 1.291 1.00 0.00 O ATOM 631 CB VAL A 41 16.727 5.216 -1.433 1.00 0.00 C ATOM 632 CG1 VAL A 41 18.107 5.057 -2.052 1.00 0.00 C ATOM 633 CG2 VAL A 41 15.658 4.606 -2.328 1.00 0.00 C ATOM 0 H VAL A 41 15.511 5.867 1.132 1.00 0.00 H new ATOM 0 HA VAL A 41 16.672 3.492 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 41 16.520 6.282 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.117 5.514 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.848 5.545 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.346 3.997 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.701 5.069 -3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.831 3.534 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.675 4.777 -1.889 1.00 0.00 H new ATOM 643 N PRO A 42 18.928 4.096 0.786 1.00 0.00 N ATOM 644 CA PRO A 42 18.841 2.785 0.136 1.00 0.00 C ATOM 645 C PRO A 42 17.845 1.860 0.827 1.00 0.00 C ATOM 646 O PRO A 42 16.958 1.296 0.185 1.00 0.00 O ATOM 647 CB PRO A 42 20.263 2.231 0.264 1.00 0.00 C ATOM 648 CG PRO A 42 20.832 2.921 1.455 1.00 0.00 C ATOM 649 CD PRO A 42 20.214 4.292 1.475 1.00 0.00 C ATOM 0 HA PRO A 42 18.490 2.863 -0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 42 20.256 1.149 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 42 20.850 2.437 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.600 2.375 2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 42 21.918 2.984 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.073 4.655 2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 42 20.839 5.022 0.960 1.00 0.00 H new ATOM 657 N CYS A 43 17.997 1.708 2.138 1.00 0.00 N ATOM 658 CA CYS A 43 17.111 0.852 2.917 1.00 0.00 C ATOM 659 C CYS A 43 15.657 1.043 2.492 1.00 0.00 C ATOM 660 O CYS A 43 15.078 2.110 2.686 1.00 0.00 O ATOM 661 CB CYS A 43 17.260 1.151 4.410 1.00 0.00 C ATOM 662 SG CYS A 43 16.464 2.700 4.942 1.00 0.00 S ATOM 0 H CYS A 43 18.726 2.167 2.684 1.00 0.00 H new ATOM 0 HA CYS A 43 17.393 -0.184 2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 43 16.836 0.323 4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 43 18.321 1.197 4.656 1.00 0.00 H new ATOM 667 N GLY A 44 15.074 -0.002 1.911 1.00 0.00 N ATOM 668 CA GLY A 44 13.694 0.071 1.468 1.00 0.00 C ATOM 669 C GLY A 44 12.717 -0.376 2.538 1.00 0.00 C ATOM 670 O GLY A 44 12.531 -1.573 2.758 1.00 0.00 O ATOM 0 H GLY A 44 15.533 -0.897 1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.463 1.095 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.567 -0.551 0.582 1.00 0.00 H new ATOM 674 N HIS A 45 12.092 0.588 3.206 1.00 0.00 N ATOM 675 CA HIS A 45 11.130 0.288 4.260 1.00 0.00 C ATOM 676 C HIS A 45 9.815 1.025 4.022 1.00 0.00 C ATOM 677 O HIS A 45 9.696 2.215 4.318 1.00 0.00 O ATOM 678 CB HIS A 45 11.701 0.669 5.626 1.00 0.00 C ATOM 679 CG HIS A 45 12.854 -0.187 6.053 1.00 0.00 C ATOM 680 ND1 HIS A 45 14.165 0.237 6.002 1.00 0.00 N ATOM 681 CD2 HIS A 45 12.887 -1.448 6.542 1.00 0.00 C ATOM 682 CE1 HIS A 45 14.955 -0.727 6.440 1.00 0.00 C ATOM 683 NE2 HIS A 45 14.204 -1.761 6.774 1.00 0.00 N ATOM 0 H HIS A 45 12.235 1.584 3.036 1.00 0.00 H new ATOM 0 HA HIS A 45 10.934 -0.784 4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 45 12.023 1.710 5.599 1.00 0.00 H new ATOM 0 HB3 HIS A 45 10.911 0.599 6.373 1.00 0.00 H new ATOM 0 HD2 HIS A 45 12.036 -2.089 6.717 1.00 0.00 H new ATOM 0 HE1 HIS A 45 16.031 -0.678 6.513 1.00 0.00 H new ATOM 0 HE2 HIS A 45 14.546 -2.648 7.144 1.00 0.00 H new ATOM 691 N LEU A 46 8.832 0.312 3.485 1.00 0.00 N ATOM 692 CA LEU A 46 7.525 0.898 3.206 1.00 0.00 C ATOM 693 C LEU A 46 6.648 0.891 4.454 1.00 0.00 C ATOM 694 O LEU A 46 5.436 0.691 4.372 1.00 0.00 O ATOM 695 CB LEU A 46 6.832 0.135 2.077 1.00 0.00 C ATOM 696 CG LEU A 46 6.991 -1.386 2.099 1.00 0.00 C ATOM 697 CD1 LEU A 46 8.329 -1.792 1.500 1.00 0.00 C ATOM 698 CD2 LEU A 46 6.857 -1.916 3.519 1.00 0.00 C ATOM 0 H LEU A 46 8.914 -0.673 3.234 1.00 0.00 H new ATOM 0 HA LEU A 46 7.676 1.932 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.768 0.370 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.214 0.507 1.126 1.00 0.00 H new ATOM 0 HG LEU A 46 6.198 -1.824 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.424 -2.878 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.386 -1.446 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.137 -1.344 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.973 -3.000 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.628 -1.471 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.874 -1.658 3.913 1.00 0.00 H new ATOM 710 N VAL A 47 7.267 1.113 5.609 1.00 0.00 N ATOM 711 CA VAL A 47 6.543 1.135 6.873 1.00 0.00 C ATOM 712 C VAL A 47 5.649 2.367 6.973 1.00 0.00 C ATOM 713 O VAL A 47 4.503 2.282 7.416 1.00 0.00 O ATOM 714 CB VAL A 47 7.507 1.117 8.074 1.00 0.00 C ATOM 715 CG1 VAL A 47 8.229 -0.219 8.158 1.00 0.00 C ATOM 716 CG2 VAL A 47 8.502 2.264 7.975 1.00 0.00 C ATOM 0 H VAL A 47 8.270 1.280 5.695 1.00 0.00 H new ATOM 0 HA VAL A 47 5.926 0.237 6.899 1.00 0.00 H new ATOM 0 HB VAL A 47 6.926 1.248 8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.906 -0.214 9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.499 -1.020 8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.800 -0.382 7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.176 2.236 8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.080 2.166 7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.965 3.212 7.967 1.00 0.00 H new ATOM 726 N THR A 48 6.180 3.512 6.557 1.00 0.00 N ATOM 727 CA THR A 48 5.431 4.762 6.599 1.00 0.00 C ATOM 728 C THR A 48 4.752 5.041 5.263 1.00 0.00 C ATOM 729 O THR A 48 5.219 4.599 4.213 1.00 0.00 O ATOM 730 CB THR A 48 6.342 5.951 6.958 1.00 0.00 C ATOM 731 OG1 THR A 48 7.306 6.160 5.920 1.00 0.00 O ATOM 732 CG2 THR A 48 7.057 5.706 8.279 1.00 0.00 C ATOM 0 H THR A 48 7.126 3.600 6.187 1.00 0.00 H new ATOM 0 HA THR A 48 4.671 4.650 7.373 1.00 0.00 H new ATOM 0 HB THR A 48 5.719 6.840 7.060 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.358 5.360 5.356 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.694 6.559 8.511 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.321 5.576 9.072 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.668 4.807 8.201 1.00 0.00 H new ATOM 740 N CYS A 49 3.648 5.779 5.309 1.00 0.00 N ATOM 741 CA CYS A 49 2.904 6.119 4.102 1.00 0.00 C ATOM 742 C CYS A 49 3.505 7.345 3.420 1.00 0.00 C ATOM 743 O CYS A 49 4.479 7.923 3.902 1.00 0.00 O ATOM 744 CB CYS A 49 1.435 6.379 4.440 1.00 0.00 C ATOM 745 SG CYS A 49 1.178 7.674 5.695 1.00 0.00 S ATOM 0 H CYS A 49 3.249 6.153 6.170 1.00 0.00 H new ATOM 0 HA CYS A 49 2.968 5.275 3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.908 6.662 3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.985 5.451 4.793 1.00 0.00 H new ATOM 750 N LYS A 50 2.917 7.736 2.294 1.00 0.00 N ATOM 751 CA LYS A 50 3.391 8.893 1.545 1.00 0.00 C ATOM 752 C LYS A 50 3.408 10.140 2.423 1.00 0.00 C ATOM 753 O LYS A 50 4.362 10.918 2.392 1.00 0.00 O ATOM 754 CB LYS A 50 2.506 9.131 0.320 1.00 0.00 C ATOM 755 CG LYS A 50 2.802 10.435 -0.401 1.00 0.00 C ATOM 756 CD LYS A 50 4.086 10.347 -1.208 1.00 0.00 C ATOM 757 CE LYS A 50 4.471 11.698 -1.791 1.00 0.00 C ATOM 758 NZ LYS A 50 5.658 11.598 -2.685 1.00 0.00 N ATOM 0 H LYS A 50 2.111 7.268 1.880 1.00 0.00 H new ATOM 0 HA LYS A 50 4.410 8.688 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.635 8.303 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.461 9.127 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.972 10.683 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.883 11.243 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.892 9.981 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.962 9.624 -2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.629 12.106 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.684 12.396 -0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.889 12.539 -3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.469 11.233 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.446 10.952 -3.472 1.00 0.00 H new ATOM 772 N GLN A 51 2.349 10.323 3.204 1.00 0.00 N ATOM 773 CA GLN A 51 2.244 11.475 4.091 1.00 0.00 C ATOM 774 C GLN A 51 3.328 11.438 5.163 1.00 0.00 C ATOM 775 O GLN A 51 4.093 12.389 5.321 1.00 0.00 O ATOM 776 CB GLN A 51 0.862 11.517 4.747 1.00 0.00 C ATOM 777 CG GLN A 51 -0.158 12.329 3.965 1.00 0.00 C ATOM 778 CD GLN A 51 -1.565 12.177 4.509 1.00 0.00 C ATOM 779 OE1 GLN A 51 -2.477 11.760 3.795 1.00 0.00 O ATOM 780 NE2 GLN A 51 -1.748 12.516 5.780 1.00 0.00 N ATOM 0 H GLN A 51 1.551 9.688 3.241 1.00 0.00 H new ATOM 0 HA GLN A 51 2.382 12.376 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.492 10.498 4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.957 11.936 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.125 13.381 3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.141 12.018 2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.963 12.857 6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.673 12.435 6.201 1.00 0.00 H new ATOM 789 N CYS A 52 3.387 10.333 5.899 1.00 0.00 N ATOM 790 CA CYS A 52 4.376 10.171 6.958 1.00 0.00 C ATOM 791 C CYS A 52 5.792 10.281 6.401 1.00 0.00 C ATOM 792 O CYS A 52 6.569 11.139 6.818 1.00 0.00 O ATOM 793 CB CYS A 52 4.193 8.820 7.652 1.00 0.00 C ATOM 794 SG CYS A 52 2.730 8.731 8.734 1.00 0.00 S ATOM 0 H CYS A 52 2.761 9.536 5.781 1.00 0.00 H new ATOM 0 HA CYS A 52 4.227 10.969 7.685 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.118 8.041 6.893 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.083 8.604 8.244 1.00 0.00 H new ATOM 799 N ALA A 53 6.120 9.407 5.455 1.00 0.00 N ATOM 800 CA ALA A 53 7.441 9.408 4.838 1.00 0.00 C ATOM 801 C ALA A 53 7.941 10.830 4.614 1.00 0.00 C ATOM 802 O ALA A 53 9.113 11.129 4.843 1.00 0.00 O ATOM 803 CB ALA A 53 7.409 8.643 3.523 1.00 0.00 C ATOM 0 H ALA A 53 5.489 8.689 5.099 1.00 0.00 H new ATOM 0 HA ALA A 53 8.133 8.911 5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.402 8.652 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.104 7.613 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.699 9.115 2.844 1.00 0.00 H new ATOM 809 N GLU A 54 7.046 11.704 4.164 1.00 0.00 N ATOM 810 CA GLU A 54 7.399 13.095 3.908 1.00 0.00 C ATOM 811 C GLU A 54 7.777 13.808 5.203 1.00 0.00 C ATOM 812 O GLU A 54 8.740 14.573 5.244 1.00 0.00 O ATOM 813 CB GLU A 54 6.235 13.824 3.233 1.00 0.00 C ATOM 814 CG GLU A 54 6.120 13.541 1.745 1.00 0.00 C ATOM 815 CD GLU A 54 5.291 14.580 1.015 1.00 0.00 C ATOM 816 OE1 GLU A 54 4.112 14.765 1.385 1.00 0.00 O ATOM 817 OE2 GLU A 54 5.821 15.208 0.075 1.00 0.00 O ATOM 0 H GLU A 54 6.072 11.473 3.969 1.00 0.00 H new ATOM 0 HA GLU A 54 8.262 13.107 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.304 13.536 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.354 14.897 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.118 13.505 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.673 12.558 1.600 1.00 0.00 H new ATOM 824 N ALA A 55 7.011 13.551 6.258 1.00 0.00 N ATOM 825 CA ALA A 55 7.266 14.166 7.555 1.00 0.00 C ATOM 826 C ALA A 55 8.611 13.720 8.120 1.00 0.00 C ATOM 827 O ALA A 55 9.400 14.538 8.592 1.00 0.00 O ATOM 828 CB ALA A 55 6.145 13.831 8.528 1.00 0.00 C ATOM 0 H ALA A 55 6.209 12.921 6.240 1.00 0.00 H new ATOM 0 HA ALA A 55 7.301 15.247 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.349 14.297 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.199 14.206 8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.083 12.750 8.653 1.00 0.00 H new ATOM 834 N VAL A 56 8.865 12.416 8.069 1.00 0.00 N ATOM 835 CA VAL A 56 10.114 11.861 8.575 1.00 0.00 C ATOM 836 C VAL A 56 11.261 12.111 7.602 1.00 0.00 C ATOM 837 O VAL A 56 11.289 11.555 6.504 1.00 0.00 O ATOM 838 CB VAL A 56 9.993 10.346 8.830 1.00 0.00 C ATOM 839 CG1 VAL A 56 8.966 10.069 9.917 1.00 0.00 C ATOM 840 CG2 VAL A 56 9.631 9.618 7.545 1.00 0.00 C ATOM 0 H VAL A 56 8.222 11.725 7.682 1.00 0.00 H new ATOM 0 HA VAL A 56 10.325 12.365 9.518 1.00 0.00 H new ATOM 0 HB VAL A 56 10.959 9.973 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.894 8.994 10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.272 10.560 10.841 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.995 10.454 9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.550 8.549 7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.678 9.992 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.406 9.791 6.798 1.00 0.00 H new ATOM 850 N ASP A 57 12.206 12.950 8.013 1.00 0.00 N ATOM 851 CA ASP A 57 13.357 13.273 7.178 1.00 0.00 C ATOM 852 C ASP A 57 14.170 12.021 6.865 1.00 0.00 C ATOM 853 O ASP A 57 14.675 11.856 5.755 1.00 0.00 O ATOM 854 CB ASP A 57 14.241 14.310 7.871 1.00 0.00 C ATOM 855 CG ASP A 57 14.546 13.942 9.310 1.00 0.00 C ATOM 856 OD1 ASP A 57 13.635 14.058 10.158 1.00 0.00 O ATOM 857 OD2 ASP A 57 15.694 13.538 9.589 1.00 0.00 O ATOM 0 H ASP A 57 12.197 13.418 8.919 1.00 0.00 H new ATOM 0 HA ASP A 57 12.989 13.689 6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.176 14.413 7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.746 15.281 7.844 1.00 0.00 H new ATOM 862 N LYS A 58 14.293 11.139 7.852 1.00 0.00 N ATOM 863 CA LYS A 58 15.044 9.901 7.684 1.00 0.00 C ATOM 864 C LYS A 58 14.245 8.706 8.195 1.00 0.00 C ATOM 865 O LYS A 58 13.341 8.857 9.016 1.00 0.00 O ATOM 866 CB LYS A 58 16.382 9.987 8.422 1.00 0.00 C ATOM 867 CG LYS A 58 16.244 10.360 9.888 1.00 0.00 C ATOM 868 CD LYS A 58 17.597 10.424 10.577 1.00 0.00 C ATOM 869 CE LYS A 58 18.199 11.818 10.496 1.00 0.00 C ATOM 870 NZ LYS A 58 17.600 12.741 11.499 1.00 0.00 N ATOM 0 H LYS A 58 13.881 11.259 8.777 1.00 0.00 H new ATOM 0 HA LYS A 58 15.232 9.761 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.892 9.026 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.014 10.723 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.745 11.325 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.612 9.629 10.392 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.488 10.134 11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.275 9.706 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.276 11.758 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.047 12.222 9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.314 13.433 11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.793 13.240 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.274 12.195 12.322 1.00 0.00 H new ATOM 884 N CYS A 59 14.586 7.519 7.705 1.00 0.00 N ATOM 885 CA CYS A 59 13.902 6.298 8.112 1.00 0.00 C ATOM 886 C CYS A 59 13.664 6.285 9.619 1.00 0.00 C ATOM 887 O CYS A 59 14.595 6.366 10.421 1.00 0.00 O ATOM 888 CB CYS A 59 14.718 5.070 7.703 1.00 0.00 C ATOM 889 SG CYS A 59 13.784 3.507 7.749 1.00 0.00 S ATOM 0 H CYS A 59 15.333 7.377 7.025 1.00 0.00 H new ATOM 0 HA CYS A 59 12.936 6.268 7.608 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.102 5.222 6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.581 4.984 8.363 1.00 0.00 H new ATOM 894 N PRO A 60 12.387 6.180 10.016 1.00 0.00 N ATOM 895 CA PRO A 60 11.996 6.153 11.428 1.00 0.00 C ATOM 896 C PRO A 60 12.420 4.863 12.122 1.00 0.00 C ATOM 897 O PRO A 60 12.085 4.633 13.284 1.00 0.00 O ATOM 898 CB PRO A 60 10.470 6.255 11.376 1.00 0.00 C ATOM 899 CG PRO A 60 10.099 5.711 10.040 1.00 0.00 C ATOM 900 CD PRO A 60 11.226 6.079 9.115 1.00 0.00 C ATOM 0 HA PRO A 60 12.471 6.952 11.998 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.007 5.682 12.179 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.138 7.287 11.489 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.966 4.630 10.082 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.156 6.135 9.694 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.379 5.322 8.346 1.00 0.00 H new ATOM 0 HD3 PRO A 60 11.033 7.021 8.601 1.00 0.00 H new ATOM 908 N MET A 61 13.159 4.024 11.403 1.00 0.00 N ATOM 909 CA MET A 61 13.630 2.758 11.951 1.00 0.00 C ATOM 910 C MET A 61 15.135 2.607 11.757 1.00 0.00 C ATOM 911 O MET A 61 15.836 2.099 12.632 1.00 0.00 O ATOM 912 CB MET A 61 12.899 1.588 11.289 1.00 0.00 C ATOM 913 CG MET A 61 11.392 1.626 11.481 1.00 0.00 C ATOM 914 SD MET A 61 10.856 0.740 12.957 1.00 0.00 S ATOM 915 CE MET A 61 9.115 1.159 12.990 1.00 0.00 C ATOM 0 H MET A 61 13.444 4.199 10.439 1.00 0.00 H new ATOM 0 HA MET A 61 13.417 2.752 13.020 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.121 1.589 10.222 1.00 0.00 H new ATOM 0 HB3 MET A 61 13.285 0.653 11.694 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.064 2.664 11.546 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.907 1.193 10.606 1.00 0.00 H new ATOM 0 HE1 MET A 61 8.628 0.627 13.808 1.00 0.00 H new ATOM 0 HE2 MET A 61 9.002 2.233 13.137 1.00 0.00 H new ATOM 0 HE3 MET A 61 8.654 0.872 12.045 1.00 0.00 H new ATOM 925 N CYS A 62 15.626 3.052 10.605 1.00 0.00 N ATOM 926 CA CYS A 62 17.048 2.967 10.295 1.00 0.00 C ATOM 927 C CYS A 62 17.711 4.337 10.401 1.00 0.00 C ATOM 928 O CYS A 62 18.933 4.456 10.310 1.00 0.00 O ATOM 929 CB CYS A 62 17.252 2.396 8.891 1.00 0.00 C ATOM 930 SG CYS A 62 16.196 0.961 8.510 1.00 0.00 S ATOM 0 H CYS A 62 15.059 3.475 9.870 1.00 0.00 H new ATOM 0 HA CYS A 62 17.514 2.301 11.022 1.00 0.00 H new ATOM 0 HB2 CYS A 62 17.058 3.181 8.160 1.00 0.00 H new ATOM 0 HB3 CYS A 62 18.296 2.105 8.777 1.00 0.00 H new ATOM 935 N TYR A 63 16.897 5.369 10.593 1.00 0.00 N ATOM 936 CA TYR A 63 17.403 6.731 10.709 1.00 0.00 C ATOM 937 C TYR A 63 18.297 7.082 9.524 1.00 0.00 C ATOM 938 O TYR A 63 19.276 7.816 9.664 1.00 0.00 O ATOM 939 CB TYR A 63 18.180 6.899 12.016 1.00 0.00 C ATOM 940 CG TYR A 63 17.302 7.214 13.206 1.00 0.00 C ATOM 941 CD1 TYR A 63 16.270 6.362 13.578 1.00 0.00 C ATOM 942 CD2 TYR A 63 17.506 8.364 13.959 1.00 0.00 C ATOM 943 CE1 TYR A 63 15.465 6.646 14.664 1.00 0.00 C ATOM 944 CE2 TYR A 63 16.707 8.656 15.048 1.00 0.00 C ATOM 945 CZ TYR A 63 15.687 7.794 15.396 1.00 0.00 C ATOM 946 OH TYR A 63 14.889 8.080 16.479 1.00 0.00 O ATOM 0 H TYR A 63 15.883 5.288 10.672 1.00 0.00 H new ATOM 0 HA TYR A 63 16.550 7.410 10.711 1.00 0.00 H new ATOM 0 HB2 TYR A 63 18.737 5.984 12.218 1.00 0.00 H new ATOM 0 HB3 TYR A 63 18.912 7.697 11.894 1.00 0.00 H new ATOM 0 HD1 TYR A 63 16.094 5.462 13.008 1.00 0.00 H new ATOM 0 HD2 TYR A 63 18.303 9.041 13.688 1.00 0.00 H new ATOM 0 HE1 TYR A 63 14.666 5.973 14.939 1.00 0.00 H new ATOM 0 HE2 TYR A 63 16.880 9.553 15.623 1.00 0.00 H new ATOM 0 HH TYR A 63 15.179 8.923 16.885 1.00 0.00 H new ATOM 956 N THR A 64 17.953 6.553 8.354 1.00 0.00 N ATOM 957 CA THR A 64 18.723 6.809 7.143 1.00 0.00 C ATOM 958 C THR A 64 18.104 7.937 6.326 1.00 0.00 C ATOM 959 O THR A 64 16.986 7.814 5.825 1.00 0.00 O ATOM 960 CB THR A 64 18.823 5.548 6.264 1.00 0.00 C ATOM 961 OG1 THR A 64 19.628 4.560 6.914 1.00 0.00 O ATOM 962 CG2 THR A 64 19.419 5.882 4.905 1.00 0.00 C ATOM 0 H THR A 64 17.146 5.944 8.219 1.00 0.00 H new ATOM 0 HA THR A 64 19.724 7.102 7.461 1.00 0.00 H new ATOM 0 HB THR A 64 17.817 5.155 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 64 19.685 3.761 6.349 1.00 0.00 H new ATOM 0 HG21 THR A 64 19.480 4.976 4.302 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.787 6.612 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 64 20.418 6.297 5.038 1.00 0.00 H new ATOM 970 N VAL A 65 18.837 9.038 6.193 1.00 0.00 N ATOM 971 CA VAL A 65 18.361 10.188 5.435 1.00 0.00 C ATOM 972 C VAL A 65 17.635 9.748 4.168 1.00 0.00 C ATOM 973 O VAL A 65 18.207 9.063 3.319 1.00 0.00 O ATOM 974 CB VAL A 65 19.520 11.126 5.050 1.00 0.00 C ATOM 975 CG1 VAL A 65 19.007 12.299 4.228 1.00 0.00 C ATOM 976 CG2 VAL A 65 20.246 11.613 6.294 1.00 0.00 C ATOM 0 H VAL A 65 19.764 9.157 6.601 1.00 0.00 H new ATOM 0 HA VAL A 65 17.667 10.727 6.080 1.00 0.00 H new ATOM 0 HB VAL A 65 20.229 10.568 4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.840 12.951 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 65 18.536 11.927 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.277 12.860 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 65 21.062 12.275 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.549 12.155 6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 65 20.648 10.759 6.839 1.00 0.00 H new ATOM 986 N ILE A 66 16.373 10.147 4.047 1.00 0.00 N ATOM 987 CA ILE A 66 15.570 9.795 2.883 1.00 0.00 C ATOM 988 C ILE A 66 15.848 10.739 1.717 1.00 0.00 C ATOM 989 O ILE A 66 15.158 11.743 1.538 1.00 0.00 O ATOM 990 CB ILE A 66 14.065 9.827 3.207 1.00 0.00 C ATOM 991 CG1 ILE A 66 13.733 8.803 4.294 1.00 0.00 C ATOM 992 CG2 ILE A 66 13.247 9.558 1.952 1.00 0.00 C ATOM 993 CD1 ILE A 66 12.540 9.186 5.141 1.00 0.00 C ATOM 0 H ILE A 66 15.885 10.714 4.741 1.00 0.00 H new ATOM 0 HA ILE A 66 15.851 8.780 2.601 1.00 0.00 H new ATOM 0 HB ILE A 66 13.810 10.819 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.541 7.838 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.602 8.677 4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.185 9.584 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.466 10.321 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.504 8.576 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.363 8.414 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.736 10.136 5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.659 9.284 4.506 1.00 0.00 H new ATOM 1005 N THR A 67 16.863 10.409 0.925 1.00 0.00 N ATOM 1006 CA THR A 67 17.233 11.226 -0.224 1.00 0.00 C ATOM 1007 C THR A 67 16.380 10.882 -1.440 1.00 0.00 C ATOM 1008 O THR A 67 16.064 11.750 -2.254 1.00 0.00 O ATOM 1009 CB THR A 67 18.719 11.047 -0.586 1.00 0.00 C ATOM 1010 OG1 THR A 67 19.072 11.928 -1.658 1.00 0.00 O ATOM 1011 CG2 THR A 67 19.008 9.609 -0.989 1.00 0.00 C ATOM 0 H THR A 67 17.444 9.581 1.058 1.00 0.00 H new ATOM 0 HA THR A 67 17.058 12.265 0.057 1.00 0.00 H new ATOM 0 HB THR A 67 19.316 11.288 0.293 1.00 0.00 H new ATOM 0 HG1 THR A 67 20.019 11.809 -1.881 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.064 9.507 -1.240 1.00 0.00 H new ATOM 0 HG22 THR A 67 18.766 8.943 -0.160 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.402 9.345 -1.855 1.00 0.00 H new ATOM 1019 N PHE A 68 16.009 9.612 -1.557 1.00 0.00 N ATOM 1020 CA PHE A 68 15.192 9.154 -2.675 1.00 0.00 C ATOM 1021 C PHE A 68 13.857 8.603 -2.183 1.00 0.00 C ATOM 1022 O PHE A 68 13.807 7.817 -1.236 1.00 0.00 O ATOM 1023 CB PHE A 68 15.937 8.080 -3.471 1.00 0.00 C ATOM 1024 CG PHE A 68 15.416 7.903 -4.869 1.00 0.00 C ATOM 1025 CD1 PHE A 68 15.789 8.777 -5.877 1.00 0.00 C ATOM 1026 CD2 PHE A 68 14.556 6.861 -5.175 1.00 0.00 C ATOM 1027 CE1 PHE A 68 15.311 8.616 -7.164 1.00 0.00 C ATOM 1028 CE2 PHE A 68 14.075 6.695 -6.460 1.00 0.00 C ATOM 1029 CZ PHE A 68 14.454 7.573 -7.456 1.00 0.00 C ATOM 0 H PHE A 68 16.261 8.881 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 68 14.996 10.008 -3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.995 8.340 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 68 15.864 7.130 -2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 68 16.461 9.593 -5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.258 6.170 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 68 15.607 9.305 -7.941 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.404 5.880 -6.685 1.00 0.00 H new ATOM 0 HZ PHE A 68 14.081 7.444 -8.461 1.00 0.00 H new ATOM 1039 N LYS A 69 12.776 9.021 -2.832 1.00 0.00 N ATOM 1040 CA LYS A 69 11.439 8.571 -2.463 1.00 0.00 C ATOM 1041 C LYS A 69 10.806 7.764 -3.592 1.00 0.00 C ATOM 1042 O LYS A 69 10.006 8.287 -4.368 1.00 0.00 O ATOM 1043 CB LYS A 69 10.552 9.770 -2.119 1.00 0.00 C ATOM 1044 CG LYS A 69 9.472 9.454 -1.099 1.00 0.00 C ATOM 1045 CD LYS A 69 10.025 9.458 0.317 1.00 0.00 C ATOM 1046 CE LYS A 69 10.230 10.874 0.831 1.00 0.00 C ATOM 1047 NZ LYS A 69 8.941 11.607 0.969 1.00 0.00 N ATOM 0 H LYS A 69 12.800 9.672 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 69 11.528 7.929 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.178 10.576 -1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.082 10.138 -3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.669 10.187 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.037 8.479 -1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.341 8.926 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.973 8.921 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.734 10.840 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.885 11.416 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.108 12.515 1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.538 11.781 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.276 11.037 1.530 1.00 0.00 H new ATOM 1061 N GLN A 70 11.169 6.488 -3.677 1.00 0.00 N ATOM 1062 CA GLN A 70 10.635 5.609 -4.710 1.00 0.00 C ATOM 1063 C GLN A 70 9.144 5.363 -4.499 1.00 0.00 C ATOM 1064 O GLN A 70 8.646 5.433 -3.376 1.00 0.00 O ATOM 1065 CB GLN A 70 11.388 4.278 -4.717 1.00 0.00 C ATOM 1066 CG GLN A 70 11.454 3.623 -6.088 1.00 0.00 C ATOM 1067 CD GLN A 70 10.137 2.994 -6.497 1.00 0.00 C ATOM 1068 OE1 GLN A 70 9.549 3.363 -7.515 1.00 0.00 O ATOM 1069 NE2 GLN A 70 9.664 2.039 -5.705 1.00 0.00 N ATOM 0 H GLN A 70 11.831 6.040 -3.043 1.00 0.00 H new ATOM 0 HA GLN A 70 10.771 6.099 -5.674 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.402 4.442 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.905 3.593 -4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.742 4.368 -6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.232 2.859 -6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.183 1.764 -4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.781 1.580 -5.930 1.00 0.00 H new ATOM 1078 N LYS A 71 8.438 5.074 -5.587 1.00 0.00 N ATOM 1079 CA LYS A 71 7.004 4.816 -5.522 1.00 0.00 C ATOM 1080 C LYS A 71 6.700 3.352 -5.824 1.00 0.00 C ATOM 1081 O LYS A 71 6.948 2.874 -6.931 1.00 0.00 O ATOM 1082 CB LYS A 71 6.258 5.717 -6.508 1.00 0.00 C ATOM 1083 CG LYS A 71 6.510 7.199 -6.289 1.00 0.00 C ATOM 1084 CD LYS A 71 5.450 8.051 -6.967 1.00 0.00 C ATOM 1085 CE LYS A 71 4.215 8.204 -6.093 1.00 0.00 C ATOM 1086 NZ LYS A 71 4.393 9.265 -5.063 1.00 0.00 N ATOM 0 H LYS A 71 8.835 5.013 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 71 6.666 5.037 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.554 5.453 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.188 5.523 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.521 7.413 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.494 7.463 -6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.862 9.035 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.170 7.597 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.355 8.445 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.997 7.255 -5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.615 9.215 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.299 9.124 -4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.390 10.198 -5.522 1.00 0.00 H new ATOM 1100 N ILE A 72 6.163 2.648 -4.834 1.00 0.00 N ATOM 1101 CA ILE A 72 5.824 1.239 -4.996 1.00 0.00 C ATOM 1102 C ILE A 72 4.366 1.069 -5.412 1.00 0.00 C ATOM 1103 O ILE A 72 4.046 0.243 -6.266 1.00 0.00 O ATOM 1104 CB ILE A 72 6.071 0.448 -3.698 1.00 0.00 C ATOM 1105 CG1 ILE A 72 5.486 1.196 -2.499 1.00 0.00 C ATOM 1106 CG2 ILE A 72 7.560 0.204 -3.503 1.00 0.00 C ATOM 1107 CD1 ILE A 72 5.537 0.405 -1.210 1.00 0.00 C ATOM 0 H ILE A 72 5.953 3.029 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 72 6.472 0.846 -5.780 1.00 0.00 H new ATOM 0 HB ILE A 72 5.571 -0.518 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.030 2.131 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.450 1.458 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.719 -0.356 -2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.949 -0.367 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.080 1.160 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.106 0.997 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.969 -0.518 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.573 0.166 -0.971 1.00 0.00 H new ATOM 1119 N PHE A 73 3.487 1.858 -4.803 1.00 0.00 N ATOM 1120 CA PHE A 73 2.063 1.796 -5.111 1.00 0.00 C ATOM 1121 C PHE A 73 1.559 0.357 -5.062 1.00 0.00 C ATOM 1122 O PHE A 73 0.915 -0.118 -5.998 1.00 0.00 O ATOM 1123 CB PHE A 73 1.791 2.398 -6.491 1.00 0.00 C ATOM 1124 CG PHE A 73 1.700 3.897 -6.484 1.00 0.00 C ATOM 1125 CD1 PHE A 73 0.692 4.540 -5.782 1.00 0.00 C ATOM 1126 CD2 PHE A 73 2.622 4.664 -7.178 1.00 0.00 C ATOM 1127 CE1 PHE A 73 0.606 5.919 -5.775 1.00 0.00 C ATOM 1128 CE2 PHE A 73 2.541 6.044 -7.174 1.00 0.00 C ATOM 1129 CZ PHE A 73 1.532 6.672 -6.470 1.00 0.00 C ATOM 0 H PHE A 73 3.736 2.547 -4.094 1.00 0.00 H new ATOM 0 HA PHE A 73 1.528 2.375 -4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.584 2.093 -7.174 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.859 1.987 -6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.034 3.957 -5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.414 4.178 -7.729 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.185 6.408 -5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.265 6.630 -7.720 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.467 7.750 -6.463 1.00 0.00 H new ATOM 1139 N MET A 74 1.857 -0.332 -3.966 1.00 0.00 N ATOM 1140 CA MET A 74 1.433 -1.717 -3.795 1.00 0.00 C ATOM 1141 C MET A 74 0.018 -1.922 -4.326 1.00 0.00 C ATOM 1142 O MET A 74 -0.216 -2.778 -5.179 1.00 0.00 O ATOM 1143 CB MET A 74 1.499 -2.114 -2.319 1.00 0.00 C ATOM 1144 CG MET A 74 2.914 -2.170 -1.767 1.00 0.00 C ATOM 1145 SD MET A 74 3.774 -3.691 -2.213 1.00 0.00 S ATOM 1146 CE MET A 74 5.319 -3.478 -1.332 1.00 0.00 C ATOM 0 H MET A 74 2.390 0.046 -3.183 1.00 0.00 H new ATOM 0 HA MET A 74 2.111 -2.352 -4.365 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.917 -1.402 -1.733 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.030 -3.090 -2.192 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.479 -1.315 -2.139 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.880 -2.081 -0.681 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.917 -4.385 -1.422 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.868 -2.638 -1.758 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.114 -3.281 -0.280 1.00 0.00 H new ATOM 1156 N SER A 75 -0.921 -1.132 -3.816 1.00 0.00 N ATOM 1157 CA SER A 75 -2.314 -1.230 -4.236 1.00 0.00 C ATOM 1158 C SER A 75 -2.442 -1.024 -5.742 1.00 0.00 C ATOM 1159 O SER A 75 -2.669 0.103 -6.180 1.00 0.00 O ATOM 1160 CB SER A 75 -3.167 -0.200 -3.494 1.00 0.00 C ATOM 1161 OG SER A 75 -4.438 -0.056 -4.103 1.00 0.00 O ATOM 0 H SER A 75 -0.743 -0.417 -3.111 1.00 0.00 H new ATOM 0 HA SER A 75 -2.672 -2.230 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.291 -0.506 -2.455 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.654 0.762 -3.484 1.00 0.00 H new ATOM 0 HG SER A 75 -4.964 0.607 -3.609 1.00 0.00 H new TER 1167 SER A 75 HETATM 1168 ZN ZN A 201 1.178 7.196 7.834 1.00 0.00 ZN HETATM 1169 ZN ZN A 401 14.995 1.837 6.631 1.00 0.00 ZN