USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 902 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 Set 1.1: A 22 GLN : amide:sc= -0.0252 X(o=0.06,f=-0.36) USER MOD Set 1.2: A 25 ASN : amide:sc= 0.0855 X(o=0.06,f=-0.34) USER MOD Set 2.1: A 13 THR OG1 : rot -170:sc= 1.03 USER MOD Set 2.2: A 16 THR OG1 : rot 93:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -140:sc= -0.166 (180deg=-0.758) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.55 (180deg=-0.0198) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 11 CYS SG : rot 130:sc= -0.0103 USER MOD Single : A 12 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.5!) USER MOD Single : A 18 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.9!) USER MOD Single : A 20 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.93) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0562) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 131:sc= 0.745 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.071 X(o=-0.071,f=-0.066) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= 0.997 (180deg=0.00944) USER MOD Single : A 67 THR OG1 : rot -174:sc= 0.993 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 71:sc= 0.192 USER MOD Single : A 80 GLN : amide:sc= -0.374 K(o=-0.37,f=-1.2) USER MOD Single : A 82 MET CE :methyl -143:sc= -0.11 (180deg=-0.87) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -135:sc= -1.25 (180deg=-3.62!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= -0.028 (180deg=-0.29) USER MOD Single : A 101 LYS NZ :NH3+ -108:sc= -0.92 (180deg=-2.94!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.64) USER MOD Single : A 107 SER OG : rot 64:sc= 1.31 USER MOD Single : A 108 THR OG1 : rot 74:sc= 1.09 USER MOD Single : A 111 LYS NZ :NH3+ -150:sc= 0.902 (180deg=0.0784!) USER MOD Single : A 112 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.370 -2.703 -17.892 1.00 0.00 N ATOM 2 CA MET A 1 -7.771 -1.436 -18.224 1.00 0.00 C ATOM 3 C MET A 1 -8.800 -0.473 -18.784 1.00 0.00 C ATOM 4 O MET A 1 -8.919 -0.276 -20.000 1.00 0.00 O ATOM 5 CB MET A 1 -6.518 -1.549 -19.105 1.00 0.00 C ATOM 6 CG MET A 1 -5.842 -0.217 -19.406 1.00 0.00 C ATOM 7 SD MET A 1 -4.359 -0.408 -20.418 1.00 0.00 S ATOM 8 CE MET A 1 -3.337 -1.422 -19.344 1.00 0.00 C ATOM 0 H1 MET A 1 -8.212 -2.909 -16.885 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.392 -2.664 -18.081 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.939 -3.453 -18.470 1.00 0.00 H new ATOM 0 HA MET A 1 -7.404 -1.017 -17.287 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.800 -2.205 -18.613 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.792 -2.025 -20.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.547 0.437 -19.920 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.578 0.273 -18.469 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.303 -1.080 -19.396 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.695 -1.340 -18.318 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.392 -2.462 -19.665 1.00 0.00 H new ATOM 18 N ALA A 2 -9.602 0.031 -17.891 1.00 0.00 N ATOM 19 CA ALA A 2 -10.571 1.032 -18.186 1.00 0.00 C ATOM 20 C ALA A 2 -10.141 2.265 -17.448 1.00 0.00 C ATOM 21 O ALA A 2 -10.370 2.379 -16.227 1.00 0.00 O ATOM 22 CB ALA A 2 -11.959 0.588 -17.753 1.00 0.00 C ATOM 0 H ALA A 2 -9.595 -0.255 -16.912 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.630 1.220 -19.258 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.681 1.370 -17.989 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.229 -0.327 -18.280 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.963 0.403 -16.679 1.00 0.00 H new ATOM 28 N SER A 3 -9.464 3.151 -18.177 1.00 0.00 N ATOM 29 CA SER A 3 -8.826 4.336 -17.632 1.00 0.00 C ATOM 30 C SER A 3 -7.581 3.906 -16.827 1.00 0.00 C ATOM 31 O SER A 3 -7.154 2.737 -16.910 1.00 0.00 O ATOM 32 CB SER A 3 -9.813 5.176 -16.793 1.00 0.00 C ATOM 33 OG SER A 3 -10.936 5.566 -17.581 1.00 0.00 O ATOM 0 H SER A 3 -9.344 3.058 -19.186 1.00 0.00 H new ATOM 0 HA SER A 3 -8.505 4.986 -18.446 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.149 4.599 -15.932 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.308 6.061 -16.406 1.00 0.00 H new ATOM 0 HG SER A 3 -11.552 6.096 -17.033 1.00 0.00 H new ATOM 39 N GLU A 4 -6.978 4.817 -16.090 1.00 0.00 N ATOM 40 CA GLU A 4 -5.826 4.494 -15.328 1.00 0.00 C ATOM 41 C GLU A 4 -6.176 3.666 -14.103 1.00 0.00 C ATOM 42 O GLU A 4 -6.705 4.176 -13.113 1.00 0.00 O ATOM 43 CB GLU A 4 -4.961 5.734 -14.984 1.00 0.00 C ATOM 44 CG GLU A 4 -5.673 6.953 -14.368 1.00 0.00 C ATOM 45 CD GLU A 4 -6.615 7.639 -15.327 1.00 0.00 C ATOM 46 OE1 GLU A 4 -6.159 8.481 -16.128 1.00 0.00 O ATOM 47 OE2 GLU A 4 -7.814 7.332 -15.311 1.00 0.00 O ATOM 0 H GLU A 4 -7.282 5.788 -16.014 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.198 3.869 -15.964 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.180 5.417 -14.293 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.465 6.061 -15.898 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.230 6.633 -13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.925 7.669 -14.029 1.00 0.00 H new ATOM 54 N GLU A 5 -5.917 2.390 -14.207 1.00 0.00 N ATOM 55 CA GLU A 5 -6.146 1.437 -13.153 1.00 0.00 C ATOM 56 C GLU A 5 -4.930 0.549 -13.043 1.00 0.00 C ATOM 57 O GLU A 5 -4.101 0.500 -13.973 1.00 0.00 O ATOM 58 CB GLU A 5 -7.362 0.555 -13.473 1.00 0.00 C ATOM 59 CG GLU A 5 -7.213 -0.203 -14.786 1.00 0.00 C ATOM 60 CD GLU A 5 -8.294 -1.224 -15.019 1.00 0.00 C ATOM 61 OE1 GLU A 5 -9.434 -0.841 -15.289 1.00 0.00 O ATOM 62 OE2 GLU A 5 -7.985 -2.436 -15.000 1.00 0.00 O ATOM 0 H GLU A 5 -5.529 1.972 -15.053 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.331 1.973 -12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.511 -0.158 -12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.255 1.178 -13.518 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.215 0.511 -15.610 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.244 -0.702 -14.800 1.00 0.00 H new ATOM 69 N GLY A 6 -4.810 -0.137 -11.933 1.00 0.00 N ATOM 70 CA GLY A 6 -3.745 -1.088 -11.763 1.00 0.00 C ATOM 71 C GLY A 6 -2.412 -0.458 -11.491 1.00 0.00 C ATOM 72 O GLY A 6 -1.372 -1.122 -11.617 1.00 0.00 O ATOM 0 H GLY A 6 -5.439 -0.053 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.995 -1.757 -10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.671 -1.701 -12.661 1.00 0.00 H new ATOM 76 N GLN A 7 -2.391 0.807 -11.136 1.00 0.00 N ATOM 77 CA GLN A 7 -1.128 1.410 -10.867 1.00 0.00 C ATOM 78 C GLN A 7 -0.763 1.368 -9.438 1.00 0.00 C ATOM 79 O GLN A 7 -1.512 1.773 -8.549 1.00 0.00 O ATOM 80 CB GLN A 7 -0.943 2.791 -11.463 1.00 0.00 C ATOM 81 CG GLN A 7 -1.990 3.825 -11.090 1.00 0.00 C ATOM 82 CD GLN A 7 -1.715 5.188 -11.711 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.565 5.558 -11.958 1.00 0.00 O ATOM 84 NE2 GLN A 7 -2.753 5.944 -11.950 1.00 0.00 N ATOM 0 H GLN A 7 -3.207 1.410 -11.032 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.417 0.778 -11.399 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.034 3.167 -11.160 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.926 2.697 -12.549 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.971 3.475 -11.411 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.026 3.925 -10.005 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.691 5.606 -11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.626 6.872 -12.353 1.00 0.00 H new ATOM 93 N VAL A 8 0.376 0.863 -9.246 1.00 0.00 N ATOM 94 CA VAL A 8 0.989 0.736 -7.970 1.00 0.00 C ATOM 95 C VAL A 8 2.254 1.538 -8.013 1.00 0.00 C ATOM 96 O VAL A 8 3.091 1.313 -8.894 1.00 0.00 O ATOM 97 CB VAL A 8 1.325 -0.745 -7.637 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.985 -0.854 -6.276 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.078 -1.618 -7.686 1.00 0.00 C ATOM 0 H VAL A 8 0.952 0.502 -10.006 1.00 0.00 H new ATOM 0 HA VAL A 8 0.307 1.092 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 8 2.023 -1.103 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.211 -1.899 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.908 -0.275 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.310 -0.467 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.345 -2.648 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.649 -1.255 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.356 -1.577 -8.685 1.00 0.00 H new ATOM 109 N ILE A 9 2.409 2.475 -7.136 1.00 0.00 N ATOM 110 CA ILE A 9 3.612 3.238 -7.152 1.00 0.00 C ATOM 111 C ILE A 9 4.631 2.549 -6.281 1.00 0.00 C ATOM 112 O ILE A 9 4.474 2.470 -5.055 1.00 0.00 O ATOM 113 CB ILE A 9 3.434 4.727 -6.699 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.455 5.503 -7.615 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.783 5.440 -6.679 1.00 0.00 C ATOM 116 CD1 ILE A 9 0.985 5.123 -7.493 1.00 0.00 C ATOM 0 H ILE A 9 1.734 2.727 -6.414 1.00 0.00 H new ATOM 0 HA ILE A 9 3.945 3.288 -8.189 1.00 0.00 H new ATOM 0 HB ILE A 9 3.011 4.707 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.554 6.567 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.763 5.356 -8.650 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.644 6.474 -6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.452 4.934 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.219 5.422 -7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.394 5.729 -8.180 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.860 4.069 -7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.647 5.298 -6.472 1.00 0.00 H new ATOM 128 N ALA A 10 5.659 2.043 -6.890 1.00 0.00 N ATOM 129 CA ALA A 10 6.685 1.376 -6.164 1.00 0.00 C ATOM 130 C ALA A 10 7.789 2.347 -5.905 1.00 0.00 C ATOM 131 O ALA A 10 8.516 2.738 -6.824 1.00 0.00 O ATOM 132 CB ALA A 10 7.189 0.161 -6.932 1.00 0.00 C ATOM 0 H ALA A 10 5.806 2.082 -7.899 1.00 0.00 H new ATOM 0 HA ALA A 10 6.291 1.013 -5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.973 -0.333 -6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.365 -0.534 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.590 0.479 -7.894 1.00 0.00 H new ATOM 138 N CYS A 11 7.908 2.756 -4.680 1.00 0.00 N ATOM 139 CA CYS A 11 8.883 3.703 -4.324 1.00 0.00 C ATOM 140 C CYS A 11 10.166 3.000 -4.002 1.00 0.00 C ATOM 141 O CYS A 11 10.240 2.209 -3.056 1.00 0.00 O ATOM 142 CB CYS A 11 8.417 4.494 -3.125 1.00 0.00 C ATOM 143 SG CYS A 11 6.781 5.239 -3.327 1.00 0.00 S ATOM 0 H CYS A 11 7.325 2.434 -3.908 1.00 0.00 H new ATOM 0 HA CYS A 11 9.044 4.387 -5.158 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.402 3.839 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.141 5.282 -2.919 1.00 0.00 H new ATOM 0 HG CYS A 11 6.042 4.950 -2.297 1.00 0.00 H new ATOM 149 N HIS A 12 11.149 3.244 -4.805 1.00 0.00 N ATOM 150 CA HIS A 12 12.465 2.710 -4.580 1.00 0.00 C ATOM 151 C HIS A 12 13.347 3.820 -4.066 1.00 0.00 C ATOM 152 O HIS A 12 14.553 3.659 -3.893 1.00 0.00 O ATOM 153 CB HIS A 12 13.047 2.081 -5.854 1.00 0.00 C ATOM 154 CG HIS A 12 12.271 0.901 -6.363 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.586 -0.403 -6.054 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.191 0.838 -7.174 1.00 0.00 C ATOM 157 CE1 HIS A 12 11.737 -1.211 -6.655 1.00 0.00 C ATOM 158 NE2 HIS A 12 10.880 -0.483 -7.338 1.00 0.00 N ATOM 0 H HIS A 12 11.068 3.822 -5.642 1.00 0.00 H new ATOM 0 HA HIS A 12 12.409 1.911 -3.841 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.088 2.840 -6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.073 1.770 -5.657 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.356 -0.697 -5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.670 1.677 -7.612 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.743 -2.289 -6.597 1.00 0.00 H new ATOM 167 N THR A 13 12.722 4.949 -3.790 1.00 0.00 N ATOM 168 CA THR A 13 13.392 6.106 -3.268 1.00 0.00 C ATOM 169 C THR A 13 12.464 6.784 -2.286 1.00 0.00 C ATOM 170 O THR A 13 11.228 6.715 -2.448 1.00 0.00 O ATOM 171 CB THR A 13 13.768 7.115 -4.390 1.00 0.00 C ATOM 172 OG1 THR A 13 12.601 7.469 -5.141 1.00 0.00 O ATOM 173 CG2 THR A 13 14.835 6.558 -5.329 1.00 0.00 C ATOM 0 H THR A 13 11.720 5.081 -3.927 1.00 0.00 H new ATOM 0 HA THR A 13 14.316 5.785 -2.788 1.00 0.00 H new ATOM 0 HB THR A 13 14.181 8.001 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.866 7.976 -5.937 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.066 7.297 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.737 6.331 -4.761 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.465 5.648 -5.801 1.00 0.00 H new ATOM 181 N VAL A 14 13.015 7.423 -1.278 1.00 0.00 N ATOM 182 CA VAL A 14 12.191 8.126 -0.324 1.00 0.00 C ATOM 183 C VAL A 14 11.658 9.411 -0.973 1.00 0.00 C ATOM 184 O VAL A 14 10.635 9.948 -0.566 1.00 0.00 O ATOM 185 CB VAL A 14 12.925 8.410 1.032 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.098 9.355 0.874 1.00 0.00 C ATOM 187 CG2 VAL A 14 11.955 8.909 2.094 1.00 0.00 C ATOM 0 H VAL A 14 14.018 7.470 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 14 11.352 7.482 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 14 13.334 7.457 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.569 9.516 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.824 8.922 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.747 10.308 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.496 9.096 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.487 9.833 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.187 8.156 2.268 1.00 0.00 H new ATOM 197 N GLU A 15 12.373 9.874 -2.010 1.00 0.00 N ATOM 198 CA GLU A 15 11.992 10.987 -2.795 1.00 0.00 C ATOM 199 C GLU A 15 10.585 10.768 -3.384 1.00 0.00 C ATOM 200 O GLU A 15 9.702 11.624 -3.254 1.00 0.00 O ATOM 201 CB GLU A 15 12.993 11.189 -3.947 1.00 0.00 C ATOM 202 CG GLU A 15 14.473 11.396 -3.568 1.00 0.00 C ATOM 203 CD GLU A 15 15.216 10.126 -3.193 1.00 0.00 C ATOM 204 OE1 GLU A 15 15.061 9.643 -2.069 1.00 0.00 O ATOM 205 OE2 GLU A 15 15.984 9.613 -4.029 1.00 0.00 O ATOM 0 H GLU A 15 13.252 9.451 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 15 11.985 11.871 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.931 10.322 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.669 12.053 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.986 11.867 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.526 12.092 -2.731 1.00 0.00 H new ATOM 212 N THR A 16 10.387 9.610 -4.021 1.00 0.00 N ATOM 213 CA THR A 16 9.100 9.269 -4.612 1.00 0.00 C ATOM 214 C THR A 16 8.052 9.072 -3.508 1.00 0.00 C ATOM 215 O THR A 16 6.905 9.516 -3.632 1.00 0.00 O ATOM 216 CB THR A 16 9.219 7.983 -5.460 1.00 0.00 C ATOM 217 OG1 THR A 16 10.264 8.155 -6.431 1.00 0.00 O ATOM 218 CG2 THR A 16 7.913 7.684 -6.187 1.00 0.00 C ATOM 0 H THR A 16 11.106 8.896 -4.138 1.00 0.00 H new ATOM 0 HA THR A 16 8.787 10.087 -5.261 1.00 0.00 H new ATOM 0 HB THR A 16 9.447 7.150 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.106 7.806 -6.071 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.025 6.774 -6.776 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.114 7.549 -5.458 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.665 8.515 -6.847 1.00 0.00 H new ATOM 226 N TRP A 17 8.476 8.425 -2.432 1.00 0.00 N ATOM 227 CA TRP A 17 7.638 8.182 -1.264 1.00 0.00 C ATOM 228 C TRP A 17 7.066 9.496 -0.701 1.00 0.00 C ATOM 229 O TRP A 17 5.853 9.626 -0.520 1.00 0.00 O ATOM 230 CB TRP A 17 8.470 7.422 -0.217 1.00 0.00 C ATOM 231 CG TRP A 17 7.819 7.225 1.116 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.252 7.730 2.298 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.624 6.495 1.407 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.423 7.345 3.309 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.411 6.591 2.796 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.716 5.770 0.640 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.334 5.992 3.431 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.645 5.177 1.272 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.461 5.291 2.656 1.00 0.00 C ATOM 0 H TRP A 17 9.420 8.050 -2.343 1.00 0.00 H new ATOM 0 HA TRP A 17 6.778 7.574 -1.547 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.724 6.443 -0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.407 7.958 -0.067 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.129 8.349 2.421 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.542 7.584 4.294 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.848 5.674 -0.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.193 6.078 4.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.933 4.613 0.688 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.610 4.813 3.118 1.00 0.00 H new ATOM 250 N ASN A 18 7.937 10.464 -0.469 1.00 0.00 N ATOM 251 CA ASN A 18 7.544 11.777 0.059 1.00 0.00 C ATOM 252 C ASN A 18 6.588 12.469 -0.921 1.00 0.00 C ATOM 253 O ASN A 18 5.538 12.997 -0.526 1.00 0.00 O ATOM 254 CB ASN A 18 8.815 12.638 0.295 1.00 0.00 C ATOM 255 CG ASN A 18 8.571 14.021 0.938 1.00 0.00 C ATOM 256 OD1 ASN A 18 7.534 14.660 0.750 1.00 0.00 O ATOM 257 ND2 ASN A 18 9.533 14.482 1.705 1.00 0.00 N ATOM 0 H ASN A 18 8.938 10.370 -0.639 1.00 0.00 H new ATOM 0 HA ASN A 18 7.025 11.652 1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.500 12.077 0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.316 12.785 -0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.431 15.389 2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.381 13.933 1.844 1.00 0.00 H new ATOM 264 N GLU A 19 6.943 12.409 -2.194 1.00 0.00 N ATOM 265 CA GLU A 19 6.179 13.040 -3.266 1.00 0.00 C ATOM 266 C GLU A 19 4.726 12.495 -3.306 1.00 0.00 C ATOM 267 O GLU A 19 3.758 13.262 -3.443 1.00 0.00 O ATOM 268 CB GLU A 19 6.886 12.786 -4.607 1.00 0.00 C ATOM 269 CG GLU A 19 6.316 13.544 -5.790 1.00 0.00 C ATOM 270 CD GLU A 19 6.451 15.040 -5.630 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.512 15.586 -5.971 1.00 0.00 O ATOM 272 OE2 GLU A 19 5.501 15.692 -5.172 1.00 0.00 O ATOM 0 H GLU A 19 7.776 11.918 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 19 6.125 14.113 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.938 13.049 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.844 11.719 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.827 13.230 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.264 13.287 -5.911 1.00 0.00 H new ATOM 279 N GLN A 20 4.583 11.186 -3.174 1.00 0.00 N ATOM 280 CA GLN A 20 3.307 10.552 -3.187 1.00 0.00 C ATOM 281 C GLN A 20 2.494 10.812 -1.935 1.00 0.00 C ATOM 282 O GLN A 20 1.278 10.991 -2.011 1.00 0.00 O ATOM 283 CB GLN A 20 3.456 9.088 -3.444 1.00 0.00 C ATOM 284 CG GLN A 20 3.756 8.739 -4.890 1.00 0.00 C ATOM 285 CD GLN A 20 2.635 9.178 -5.828 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.471 9.233 -5.446 1.00 0.00 O ATOM 287 NE2 GLN A 20 2.970 9.479 -7.055 1.00 0.00 N ATOM 0 H GLN A 20 5.365 10.543 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 20 2.742 11.000 -4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.256 8.699 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.539 8.582 -3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.689 9.215 -5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.904 7.663 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.946 9.424 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.255 9.769 -7.722 1.00 0.00 H new ATOM 296 N LEU A 21 3.149 10.851 -0.781 1.00 0.00 N ATOM 297 CA LEU A 21 2.480 11.112 0.439 1.00 0.00 C ATOM 298 C LEU A 21 1.884 12.480 0.449 1.00 0.00 C ATOM 299 O LEU A 21 0.735 12.648 0.844 1.00 0.00 O ATOM 300 CB LEU A 21 3.414 10.968 1.587 1.00 0.00 C ATOM 301 CG LEU A 21 3.929 9.584 1.931 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.854 9.677 3.132 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.774 8.629 2.217 1.00 0.00 C ATOM 0 H LEU A 21 4.154 10.700 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 21 1.675 10.383 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.277 11.605 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.916 11.366 2.471 1.00 0.00 H new ATOM 0 HG LEU A 21 4.482 9.189 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.226 8.684 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.694 10.330 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.307 10.084 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.169 7.643 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.191 9.005 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.136 8.556 1.337 1.00 0.00 H new ATOM 315 N GLN A 22 2.649 13.458 0.012 1.00 0.00 N ATOM 316 CA GLN A 22 2.149 14.795 -0.036 1.00 0.00 C ATOM 317 C GLN A 22 0.970 14.863 -0.998 1.00 0.00 C ATOM 318 O GLN A 22 0.004 15.545 -0.735 1.00 0.00 O ATOM 319 CB GLN A 22 3.232 15.802 -0.427 1.00 0.00 C ATOM 320 CG GLN A 22 2.752 17.250 -0.363 1.00 0.00 C ATOM 321 CD GLN A 22 2.321 17.666 1.044 1.00 0.00 C ATOM 322 OE1 GLN A 22 1.154 17.513 1.436 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.242 18.194 1.803 1.00 0.00 N ATOM 0 H GLN A 22 3.610 13.344 -0.310 1.00 0.00 H new ATOM 0 HA GLN A 22 1.816 15.068 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.090 15.680 0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.576 15.583 -1.438 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.551 17.909 -0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.915 17.382 -1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.192 18.305 1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.012 18.495 2.750 1.00 0.00 H new ATOM 332 N LYS A 23 1.043 14.101 -2.081 1.00 0.00 N ATOM 333 CA LYS A 23 -0.024 14.073 -3.064 1.00 0.00 C ATOM 334 C LYS A 23 -1.308 13.516 -2.434 1.00 0.00 C ATOM 335 O LYS A 23 -2.395 14.087 -2.607 1.00 0.00 O ATOM 336 CB LYS A 23 0.378 13.230 -4.279 1.00 0.00 C ATOM 337 CG LYS A 23 -0.588 13.315 -5.453 1.00 0.00 C ATOM 338 CD LYS A 23 -0.112 12.463 -6.618 1.00 0.00 C ATOM 339 CE LYS A 23 -0.984 12.649 -7.858 1.00 0.00 C ATOM 340 NZ LYS A 23 -2.403 12.313 -7.611 1.00 0.00 N ATOM 0 H LYS A 23 1.833 13.494 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.208 15.093 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.366 13.546 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.464 12.188 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.578 12.985 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.685 14.352 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.919 12.721 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.118 11.413 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.913 13.683 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.601 12.023 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.931 12.358 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.469 11.352 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.808 12.992 -6.935 1.00 0.00 H new ATOM 354 N ALA A 24 -1.173 12.424 -1.666 1.00 0.00 N ATOM 355 CA ALA A 24 -2.328 11.798 -1.041 1.00 0.00 C ATOM 356 C ALA A 24 -2.886 12.675 0.076 1.00 0.00 C ATOM 357 O ALA A 24 -4.090 12.701 0.316 1.00 0.00 O ATOM 358 CB ALA A 24 -1.964 10.421 -0.510 1.00 0.00 C ATOM 0 H ALA A 24 -0.283 11.967 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.104 11.683 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.839 9.967 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.622 9.793 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.169 10.515 0.229 1.00 0.00 H new ATOM 364 N ASN A 25 -2.001 13.398 0.723 1.00 0.00 N ATOM 365 CA ASN A 25 -2.347 14.277 1.842 1.00 0.00 C ATOM 366 C ASN A 25 -3.033 15.531 1.349 1.00 0.00 C ATOM 367 O ASN A 25 -4.146 15.857 1.751 1.00 0.00 O ATOM 368 CB ASN A 25 -1.049 14.703 2.510 1.00 0.00 C ATOM 369 CG ASN A 25 -1.225 15.569 3.744 1.00 0.00 C ATOM 370 OD1 ASN A 25 -2.212 15.456 4.483 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.273 16.449 3.968 1.00 0.00 N ATOM 0 H ASN A 25 -1.007 13.400 0.493 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.012 13.745 2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.488 13.810 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.444 15.247 1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.332 17.070 4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.524 16.510 3.335 1.00 0.00 H new ATOM 378 N GLU A 26 -2.360 16.199 0.448 1.00 0.00 N ATOM 379 CA GLU A 26 -2.801 17.475 -0.120 1.00 0.00 C ATOM 380 C GLU A 26 -4.141 17.343 -0.831 1.00 0.00 C ATOM 381 O GLU A 26 -5.037 18.184 -0.666 1.00 0.00 O ATOM 382 CB GLU A 26 -1.750 17.977 -1.109 1.00 0.00 C ATOM 383 CG GLU A 26 -2.057 19.310 -1.757 1.00 0.00 C ATOM 384 CD GLU A 26 -1.040 19.662 -2.801 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.055 20.127 -2.445 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.305 19.442 -4.002 1.00 0.00 O ATOM 0 H GLU A 26 -1.469 15.875 0.072 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.924 18.184 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.795 18.055 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.627 17.230 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.048 19.276 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.082 20.089 -0.995 1.00 0.00 H new ATOM 393 N SER A 27 -4.291 16.300 -1.596 1.00 0.00 N ATOM 394 CA SER A 27 -5.483 16.106 -2.346 1.00 0.00 C ATOM 395 C SER A 27 -6.501 15.250 -1.603 1.00 0.00 C ATOM 396 O SER A 27 -7.600 15.020 -2.105 1.00 0.00 O ATOM 397 CB SER A 27 -5.140 15.506 -3.686 1.00 0.00 C ATOM 398 OG SER A 27 -4.281 16.377 -4.420 1.00 0.00 O ATOM 0 H SER A 27 -3.590 15.568 -1.712 1.00 0.00 H new ATOM 0 HA SER A 27 -5.953 17.078 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.654 14.541 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.053 15.323 -4.253 1.00 0.00 H new ATOM 0 HG SER A 27 -4.067 15.972 -5.286 1.00 0.00 H new ATOM 404 N LYS A 28 -6.134 14.798 -0.401 1.00 0.00 N ATOM 405 CA LYS A 28 -7.008 13.974 0.428 1.00 0.00 C ATOM 406 C LYS A 28 -7.554 12.763 -0.313 1.00 0.00 C ATOM 407 O LYS A 28 -8.772 12.538 -0.401 1.00 0.00 O ATOM 408 CB LYS A 28 -8.083 14.784 1.116 1.00 0.00 C ATOM 409 CG LYS A 28 -7.525 15.770 2.123 1.00 0.00 C ATOM 410 CD LYS A 28 -8.615 16.516 2.847 1.00 0.00 C ATOM 411 CE LYS A 28 -8.023 17.482 3.854 1.00 0.00 C ATOM 412 NZ LYS A 28 -9.063 18.214 4.604 1.00 0.00 N ATOM 0 H LYS A 28 -5.226 14.994 0.021 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.383 13.570 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.659 15.326 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.773 14.108 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.907 15.238 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.876 16.482 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.228 17.061 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.271 15.809 3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.392 16.934 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.381 18.195 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.612 18.862 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.650 18.759 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.661 17.537 5.120 1.00 0.00 H new ATOM 426 N THR A 29 -6.648 12.030 -0.882 1.00 0.00 N ATOM 427 CA THR A 29 -6.950 10.859 -1.640 1.00 0.00 C ATOM 428 C THR A 29 -6.719 9.636 -0.750 1.00 0.00 C ATOM 429 O THR A 29 -5.839 9.642 0.120 1.00 0.00 O ATOM 430 CB THR A 29 -6.044 10.778 -2.861 1.00 0.00 C ATOM 431 OG1 THR A 29 -6.014 12.068 -3.500 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.577 9.765 -3.861 1.00 0.00 C ATOM 0 H THR A 29 -5.651 12.237 -0.830 1.00 0.00 H new ATOM 0 HA THR A 29 -7.986 10.894 -1.976 1.00 0.00 H new ATOM 0 HB THR A 29 -5.048 10.474 -2.538 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.432 12.030 -4.288 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.914 9.724 -4.725 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.625 8.782 -3.393 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.575 10.062 -4.183 1.00 0.00 H new ATOM 440 N LEU A 30 -7.517 8.636 -0.930 1.00 0.00 N ATOM 441 CA LEU A 30 -7.426 7.439 -0.125 1.00 0.00 C ATOM 442 C LEU A 30 -6.251 6.592 -0.673 1.00 0.00 C ATOM 443 O LEU A 30 -6.184 6.313 -1.877 1.00 0.00 O ATOM 444 CB LEU A 30 -8.798 6.690 -0.153 1.00 0.00 C ATOM 445 CG LEU A 30 -9.037 5.471 0.786 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.499 5.073 0.732 1.00 0.00 C ATOM 447 CD2 LEU A 30 -8.191 4.267 0.400 1.00 0.00 C ATOM 0 H LEU A 30 -8.253 8.615 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.221 7.662 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.573 7.425 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.961 6.349 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.750 5.777 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.668 4.220 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.116 5.910 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.765 4.803 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.395 3.444 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.436 3.961 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.135 4.532 0.455 1.00 0.00 H new ATOM 459 N VAL A 31 -5.336 6.222 0.194 1.00 0.00 N ATOM 460 CA VAL A 31 -4.134 5.534 -0.218 1.00 0.00 C ATOM 461 C VAL A 31 -3.912 4.227 0.579 1.00 0.00 C ATOM 462 O VAL A 31 -4.197 4.161 1.775 1.00 0.00 O ATOM 463 CB VAL A 31 -2.902 6.489 -0.092 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.705 6.977 1.336 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.637 5.850 -0.625 1.00 0.00 C ATOM 0 H VAL A 31 -5.403 6.388 1.198 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.252 5.247 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.119 7.360 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.839 7.637 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.592 7.521 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.543 6.123 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.805 6.546 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.424 4.941 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.770 5.602 -1.678 1.00 0.00 H new ATOM 475 N VAL A 32 -3.427 3.202 -0.100 1.00 0.00 N ATOM 476 CA VAL A 32 -3.093 1.934 0.521 1.00 0.00 C ATOM 477 C VAL A 32 -1.626 1.630 0.256 1.00 0.00 C ATOM 478 O VAL A 32 -1.200 1.559 -0.896 1.00 0.00 O ATOM 479 CB VAL A 32 -3.956 0.780 -0.021 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.595 -0.545 0.651 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.439 1.080 0.140 1.00 0.00 C ATOM 0 H VAL A 32 -3.253 3.227 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.287 2.019 1.590 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.745 0.685 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.221 -1.340 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.547 -0.776 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.759 -0.464 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.023 0.247 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.669 1.220 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.688 1.988 -0.409 1.00 0.00 H new ATOM 491 N VAL A 33 -0.857 1.469 1.300 1.00 0.00 N ATOM 492 CA VAL A 33 0.569 1.259 1.156 1.00 0.00 C ATOM 493 C VAL A 33 0.992 -0.112 1.686 1.00 0.00 C ATOM 494 O VAL A 33 0.609 -0.499 2.788 1.00 0.00 O ATOM 495 CB VAL A 33 1.378 2.349 1.908 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.864 2.167 1.673 1.00 0.00 C ATOM 497 CG2 VAL A 33 0.933 3.753 1.506 1.00 0.00 C ATOM 0 H VAL A 33 -1.190 1.478 2.264 1.00 0.00 H new ATOM 0 HA VAL A 33 0.783 1.315 0.089 1.00 0.00 H new ATOM 0 HB VAL A 33 1.180 2.234 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.414 2.941 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.172 1.186 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.076 2.243 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.521 4.491 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.083 3.890 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.123 3.882 1.744 1.00 0.00 H new ATOM 507 N ASP A 34 1.763 -0.820 0.894 1.00 0.00 N ATOM 508 CA ASP A 34 2.357 -2.101 1.272 1.00 0.00 C ATOM 509 C ASP A 34 3.834 -1.938 1.566 1.00 0.00 C ATOM 510 O ASP A 34 4.603 -1.477 0.705 1.00 0.00 O ATOM 511 CB ASP A 34 2.177 -3.138 0.156 1.00 0.00 C ATOM 512 CG ASP A 34 3.071 -4.365 0.342 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.807 -5.180 1.241 1.00 0.00 O ATOM 514 OD2 ASP A 34 4.051 -4.512 -0.443 1.00 0.00 O ATOM 0 H ASP A 34 2.005 -0.524 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 34 1.846 -2.450 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.134 -3.454 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.399 -2.674 -0.805 1.00 0.00 H new ATOM 519 N PHE A 35 4.239 -2.272 2.766 1.00 0.00 N ATOM 520 CA PHE A 35 5.614 -2.240 3.111 1.00 0.00 C ATOM 521 C PHE A 35 6.114 -3.671 3.205 1.00 0.00 C ATOM 522 O PHE A 35 5.660 -4.435 4.078 1.00 0.00 O ATOM 523 CB PHE A 35 5.781 -1.605 4.484 1.00 0.00 C ATOM 524 CG PHE A 35 5.289 -0.197 4.642 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.121 0.876 4.376 1.00 0.00 C ATOM 526 CD2 PHE A 35 4.004 0.052 5.089 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.678 2.172 4.548 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.553 1.340 5.261 1.00 0.00 C ATOM 529 CZ PHE A 35 4.392 2.404 4.991 1.00 0.00 C ATOM 0 H PHE A 35 3.618 -2.570 3.518 1.00 0.00 H new ATOM 0 HA PHE A 35 6.165 -1.671 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.264 -2.229 5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.840 -1.626 4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.128 0.698 4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.346 -0.776 5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.336 3.002 4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.545 1.519 5.606 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.042 3.417 5.127 1.00 0.00 H new ATOM 539 N THR A 36 7.029 -4.045 2.334 1.00 0.00 N ATOM 540 CA THR A 36 7.600 -5.360 2.401 1.00 0.00 C ATOM 541 C THR A 36 8.961 -5.435 1.672 1.00 0.00 C ATOM 542 O THR A 36 9.396 -4.455 1.036 1.00 0.00 O ATOM 543 CB THR A 36 6.624 -6.442 1.883 1.00 0.00 C ATOM 544 OG1 THR A 36 7.127 -7.723 2.236 1.00 0.00 O ATOM 545 CG2 THR A 36 6.467 -6.380 0.370 1.00 0.00 C ATOM 0 H THR A 36 7.386 -3.458 1.580 1.00 0.00 H new ATOM 0 HA THR A 36 7.783 -5.568 3.455 1.00 0.00 H new ATOM 0 HB THR A 36 5.649 -6.264 2.337 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.416 -8.248 2.659 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.774 -7.155 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.078 -5.403 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.436 -6.538 -0.103 1.00 0.00 H new ATOM 553 N ALA A 37 9.583 -6.601 1.737 1.00 0.00 N ATOM 554 CA ALA A 37 10.862 -6.877 1.113 1.00 0.00 C ATOM 555 C ALA A 37 10.686 -7.977 0.067 1.00 0.00 C ATOM 556 O ALA A 37 9.811 -8.842 0.210 1.00 0.00 O ATOM 557 CB ALA A 37 11.861 -7.313 2.159 1.00 0.00 C ATOM 0 H ALA A 37 9.200 -7.402 2.239 1.00 0.00 H new ATOM 0 HA ALA A 37 11.233 -5.974 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.820 -7.519 1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.985 -6.520 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.500 -8.215 2.653 1.00 0.00 H new ATOM 563 N SER A 38 11.515 -7.965 -0.959 1.00 0.00 N ATOM 564 CA SER A 38 11.381 -8.911 -2.075 1.00 0.00 C ATOM 565 C SER A 38 11.767 -10.351 -1.689 1.00 0.00 C ATOM 566 O SER A 38 11.318 -11.312 -2.308 1.00 0.00 O ATOM 567 CB SER A 38 12.206 -8.433 -3.258 1.00 0.00 C ATOM 568 OG SER A 38 11.847 -7.094 -3.596 1.00 0.00 O ATOM 0 H SER A 38 12.294 -7.313 -1.053 1.00 0.00 H new ATOM 0 HA SER A 38 10.327 -8.939 -2.351 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.267 -8.483 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.043 -9.089 -4.114 1.00 0.00 H new ATOM 0 HG SER A 38 12.385 -6.794 -4.358 1.00 0.00 H new ATOM 574 N TRP A 39 12.574 -10.493 -0.650 1.00 0.00 N ATOM 575 CA TRP A 39 13.018 -11.812 -0.190 1.00 0.00 C ATOM 576 C TRP A 39 11.996 -12.473 0.729 1.00 0.00 C ATOM 577 O TRP A 39 12.234 -13.556 1.269 1.00 0.00 O ATOM 578 CB TRP A 39 14.400 -11.723 0.490 1.00 0.00 C ATOM 579 CG TRP A 39 14.494 -10.685 1.561 1.00 0.00 C ATOM 580 CD1 TRP A 39 14.977 -9.446 1.397 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.102 -10.784 2.948 1.00 0.00 C ATOM 582 NE1 TRP A 39 14.917 -8.749 2.563 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.385 -9.542 3.538 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.540 -11.793 3.741 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.129 -9.271 4.879 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.285 -11.523 5.074 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.580 -10.272 5.629 1.00 0.00 C ATOM 0 H TRP A 39 12.939 -9.713 -0.104 1.00 0.00 H new ATOM 0 HA TRP A 39 13.111 -12.446 -1.072 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.643 -12.695 0.920 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.153 -11.513 -0.270 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.361 -9.055 0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.222 -7.784 2.689 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.311 -12.761 3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.356 -8.307 5.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.851 -12.291 5.697 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.369 -10.094 6.673 1.00 0.00 H new ATOM 598 N CYS A 40 10.865 -11.842 0.889 1.00 0.00 N ATOM 599 CA CYS A 40 9.841 -12.362 1.743 1.00 0.00 C ATOM 600 C CYS A 40 8.894 -13.268 0.962 1.00 0.00 C ATOM 601 O CYS A 40 8.297 -12.846 -0.036 1.00 0.00 O ATOM 602 CB CYS A 40 9.087 -11.223 2.427 1.00 0.00 C ATOM 603 SG CYS A 40 7.665 -11.757 3.429 1.00 0.00 S ATOM 0 H CYS A 40 10.631 -10.960 0.433 1.00 0.00 H new ATOM 0 HA CYS A 40 10.309 -12.967 2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.781 -10.676 3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.738 -10.526 1.665 1.00 0.00 H new ATOM 608 N GLY A 41 8.760 -14.507 1.437 1.00 0.00 N ATOM 609 CA GLY A 41 7.940 -15.527 0.777 1.00 0.00 C ATOM 610 C GLY A 41 6.476 -15.135 0.606 1.00 0.00 C ATOM 611 O GLY A 41 6.031 -14.894 -0.521 1.00 0.00 O ATOM 0 H GLY A 41 9.216 -14.833 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.365 -15.740 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.993 -16.450 1.355 1.00 0.00 H new ATOM 615 N PRO A 42 5.689 -15.052 1.712 1.00 0.00 N ATOM 616 CA PRO A 42 4.261 -14.692 1.649 1.00 0.00 C ATOM 617 C PRO A 42 4.049 -13.334 0.982 1.00 0.00 C ATOM 618 O PRO A 42 3.033 -13.090 0.342 1.00 0.00 O ATOM 619 CB PRO A 42 3.821 -14.640 3.124 1.00 0.00 C ATOM 620 CG PRO A 42 5.089 -14.588 3.913 1.00 0.00 C ATOM 621 CD PRO A 42 6.119 -15.314 3.099 1.00 0.00 C ATOM 0 HA PRO A 42 3.689 -15.405 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.201 -13.765 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.229 -15.516 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.392 -13.557 4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.961 -15.059 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.124 -14.936 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.132 -16.381 3.323 1.00 0.00 H new ATOM 629 N CYS A 43 5.020 -12.480 1.135 1.00 0.00 N ATOM 630 CA CYS A 43 4.997 -11.147 0.586 1.00 0.00 C ATOM 631 C CYS A 43 5.062 -11.185 -0.944 1.00 0.00 C ATOM 632 O CYS A 43 4.316 -10.495 -1.620 1.00 0.00 O ATOM 633 CB CYS A 43 6.169 -10.390 1.137 1.00 0.00 C ATOM 634 SG CYS A 43 6.231 -10.407 2.969 1.00 0.00 S ATOM 0 H CYS A 43 5.871 -12.692 1.656 1.00 0.00 H new ATOM 0 HA CYS A 43 4.066 -10.654 0.864 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.090 -10.819 0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.124 -9.358 0.789 1.00 0.00 H new ATOM 639 N ARG A 44 5.938 -12.018 -1.481 1.00 0.00 N ATOM 640 CA ARG A 44 6.065 -12.153 -2.923 1.00 0.00 C ATOM 641 C ARG A 44 4.819 -12.853 -3.485 1.00 0.00 C ATOM 642 O ARG A 44 4.419 -12.638 -4.627 1.00 0.00 O ATOM 643 CB ARG A 44 7.360 -12.905 -3.290 1.00 0.00 C ATOM 644 CG ARG A 44 7.606 -13.027 -4.786 1.00 0.00 C ATOM 645 CD ARG A 44 8.932 -13.713 -5.099 1.00 0.00 C ATOM 646 NE ARG A 44 9.027 -15.071 -4.534 1.00 0.00 N ATOM 647 CZ ARG A 44 9.243 -16.191 -5.250 1.00 0.00 C ATOM 648 NH1 ARG A 44 9.257 -16.154 -6.583 1.00 0.00 N ATOM 649 NH2 ARG A 44 9.425 -17.348 -4.627 1.00 0.00 N ATOM 0 H ARG A 44 6.570 -12.610 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 44 6.133 -11.163 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.207 -12.392 -2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.322 -13.904 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.791 -13.590 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.598 -12.034 -5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.061 -13.766 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.749 -13.106 -4.710 1.00 0.00 H new ATOM 0 HE ARG A 44 8.921 -15.170 -3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.103 -15.271 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.422 -17.008 -7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.401 -17.388 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.589 -18.198 -5.167 1.00 0.00 H new ATOM 663 N PHE A 45 4.221 -13.687 -2.663 1.00 0.00 N ATOM 664 CA PHE A 45 3.000 -14.395 -3.013 1.00 0.00 C ATOM 665 C PHE A 45 1.791 -13.442 -3.067 1.00 0.00 C ATOM 666 O PHE A 45 0.906 -13.598 -3.907 1.00 0.00 O ATOM 667 CB PHE A 45 2.748 -15.532 -2.000 1.00 0.00 C ATOM 668 CG PHE A 45 1.481 -16.318 -2.231 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.467 -17.395 -3.095 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.305 -15.976 -1.572 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.309 -18.119 -3.299 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.854 -16.695 -1.774 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.852 -17.768 -2.638 1.00 0.00 C ATOM 0 H PHE A 45 4.567 -13.897 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 45 3.125 -14.821 -4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.594 -16.218 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.716 -15.106 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.371 -17.674 -3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.300 -15.136 -0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.311 -18.960 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.761 -16.418 -1.257 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.757 -18.334 -2.798 1.00 0.00 H new ATOM 683 N ILE A 46 1.772 -12.443 -2.197 1.00 0.00 N ATOM 684 CA ILE A 46 0.617 -11.550 -2.101 1.00 0.00 C ATOM 685 C ILE A 46 0.748 -10.382 -3.107 1.00 0.00 C ATOM 686 O ILE A 46 -0.226 -9.679 -3.401 1.00 0.00 O ATOM 687 CB ILE A 46 0.447 -10.998 -0.634 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.922 -10.343 -0.424 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.551 -10.018 -0.273 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.076 -11.315 -0.487 1.00 0.00 C ATOM 0 H ILE A 46 2.532 -12.228 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.274 -12.126 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 46 0.518 -11.860 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.931 -9.844 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.066 -9.572 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.400 -9.659 0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.518 -10.517 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.528 -9.174 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.012 -10.779 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.093 -11.796 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.957 -12.072 0.288 1.00 0.00 H new ATOM 702 N ALA A 47 1.950 -10.218 -3.654 1.00 0.00 N ATOM 703 CA ALA A 47 2.254 -9.147 -4.608 1.00 0.00 C ATOM 704 C ALA A 47 1.280 -9.100 -5.830 1.00 0.00 C ATOM 705 O ALA A 47 0.714 -8.031 -6.116 1.00 0.00 O ATOM 706 CB ALA A 47 3.719 -9.204 -5.047 1.00 0.00 C ATOM 0 H ALA A 47 2.745 -10.824 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 47 2.093 -8.209 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.918 -8.399 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.364 -9.090 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.919 -10.164 -5.524 1.00 0.00 H new ATOM 712 N PRO A 48 1.038 -10.241 -6.567 1.00 0.00 N ATOM 713 CA PRO A 48 0.106 -10.245 -7.712 1.00 0.00 C ATOM 714 C PRO A 48 -1.331 -9.934 -7.278 1.00 0.00 C ATOM 715 O PRO A 48 -2.117 -9.364 -8.043 1.00 0.00 O ATOM 716 CB PRO A 48 0.190 -11.682 -8.249 1.00 0.00 C ATOM 717 CG PRO A 48 1.473 -12.214 -7.718 1.00 0.00 C ATOM 718 CD PRO A 48 1.651 -11.577 -6.381 1.00 0.00 C ATOM 0 HA PRO A 48 0.367 -9.486 -8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.656 -12.280 -7.911 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.176 -11.698 -9.339 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.441 -13.300 -7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.303 -11.970 -8.382 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.154 -12.144 -5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.703 -11.504 -6.105 1.00 0.00 H new ATOM 726 N PHE A 49 -1.652 -10.285 -6.046 1.00 0.00 N ATOM 727 CA PHE A 49 -2.978 -10.068 -5.491 1.00 0.00 C ATOM 728 C PHE A 49 -3.193 -8.566 -5.253 1.00 0.00 C ATOM 729 O PHE A 49 -4.249 -8.014 -5.566 1.00 0.00 O ATOM 730 CB PHE A 49 -3.122 -10.854 -4.176 1.00 0.00 C ATOM 731 CG PHE A 49 -4.499 -10.826 -3.571 1.00 0.00 C ATOM 732 CD1 PHE A 49 -4.876 -9.836 -2.675 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.413 -11.802 -3.898 1.00 0.00 C ATOM 734 CE1 PHE A 49 -6.143 -9.828 -2.126 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.674 -11.799 -3.353 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.039 -10.813 -2.468 1.00 0.00 C ATOM 0 H PHE A 49 -1.000 -10.730 -5.400 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.735 -10.422 -6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.841 -11.892 -4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.414 -10.454 -3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.171 -9.064 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.135 -12.581 -4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.429 -9.052 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.379 -12.572 -3.620 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.031 -10.812 -2.041 1.00 0.00 H new ATOM 746 N PHE A 50 -2.166 -7.921 -4.722 1.00 0.00 N ATOM 747 CA PHE A 50 -2.173 -6.483 -4.443 1.00 0.00 C ATOM 748 C PHE A 50 -2.274 -5.697 -5.760 1.00 0.00 C ATOM 749 O PHE A 50 -2.911 -4.644 -5.824 1.00 0.00 O ATOM 750 CB PHE A 50 -0.896 -6.131 -3.658 1.00 0.00 C ATOM 751 CG PHE A 50 -0.767 -4.707 -3.194 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.457 -4.267 -2.077 1.00 0.00 C ATOM 753 CD2 PHE A 50 0.070 -3.818 -3.849 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.319 -2.971 -1.620 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.207 -2.519 -3.401 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.489 -2.096 -2.284 1.00 0.00 C ATOM 0 H PHE A 50 -1.292 -8.381 -4.468 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.038 -6.211 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.842 -6.781 -2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.035 -6.366 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.113 -4.948 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.621 -4.144 -4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.861 -2.645 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.858 -1.833 -3.923 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.382 -1.080 -1.933 1.00 0.00 H new ATOM 766 N ALA A 51 -1.666 -6.235 -6.804 1.00 0.00 N ATOM 767 CA ALA A 51 -1.734 -5.631 -8.131 1.00 0.00 C ATOM 768 C ALA A 51 -3.167 -5.702 -8.669 1.00 0.00 C ATOM 769 O ALA A 51 -3.666 -4.752 -9.272 1.00 0.00 O ATOM 770 CB ALA A 51 -0.769 -6.324 -9.081 1.00 0.00 C ATOM 0 H ALA A 51 -1.116 -7.093 -6.761 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.443 -4.583 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.833 -5.861 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.248 -6.229 -8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.030 -7.379 -9.159 1.00 0.00 H new ATOM 776 N ASP A 52 -3.826 -6.826 -8.413 1.00 0.00 N ATOM 777 CA ASP A 52 -5.219 -7.059 -8.846 1.00 0.00 C ATOM 778 C ASP A 52 -6.139 -6.091 -8.134 1.00 0.00 C ATOM 779 O ASP A 52 -7.126 -5.602 -8.691 1.00 0.00 O ATOM 780 CB ASP A 52 -5.630 -8.467 -8.486 1.00 0.00 C ATOM 781 CG ASP A 52 -6.983 -8.864 -9.054 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.037 -9.375 -10.193 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.010 -8.690 -8.361 1.00 0.00 O ATOM 0 H ASP A 52 -3.419 -7.608 -7.900 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.287 -6.914 -9.924 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.873 -9.163 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.657 -8.564 -7.401 1.00 0.00 H new ATOM 788 N LEU A 53 -5.811 -5.845 -6.895 1.00 0.00 N ATOM 789 CA LEU A 53 -6.497 -4.890 -6.071 1.00 0.00 C ATOM 790 C LEU A 53 -6.433 -3.491 -6.683 1.00 0.00 C ATOM 791 O LEU A 53 -7.460 -2.832 -6.836 1.00 0.00 O ATOM 792 CB LEU A 53 -5.897 -4.915 -4.671 1.00 0.00 C ATOM 793 CG LEU A 53 -6.123 -6.162 -3.831 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.510 -5.991 -2.450 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.602 -6.483 -3.717 1.00 0.00 C ATOM 0 H LEU A 53 -5.040 -6.315 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.551 -5.160 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.822 -4.762 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.294 -4.062 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.633 -6.998 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.681 -6.893 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.438 -5.818 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.971 -5.139 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.734 -7.379 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.120 -5.647 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.015 -6.653 -4.711 1.00 0.00 H new ATOM 807 N ALA A 54 -5.238 -3.068 -7.053 1.00 0.00 N ATOM 808 CA ALA A 54 -5.035 -1.774 -7.706 1.00 0.00 C ATOM 809 C ALA A 54 -5.764 -1.737 -9.042 1.00 0.00 C ATOM 810 O ALA A 54 -6.204 -0.687 -9.511 1.00 0.00 O ATOM 811 CB ALA A 54 -3.552 -1.516 -7.910 1.00 0.00 C ATOM 0 H ALA A 54 -4.381 -3.603 -6.913 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.442 -0.992 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.414 -0.550 -8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.047 -1.511 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.129 -2.301 -8.536 1.00 0.00 H new ATOM 817 N LYS A 55 -5.847 -2.892 -9.658 1.00 0.00 N ATOM 818 CA LYS A 55 -6.497 -3.065 -10.932 1.00 0.00 C ATOM 819 C LYS A 55 -8.002 -2.803 -10.833 1.00 0.00 C ATOM 820 O LYS A 55 -8.605 -2.238 -11.748 1.00 0.00 O ATOM 821 CB LYS A 55 -6.198 -4.468 -11.458 1.00 0.00 C ATOM 822 CG LYS A 55 -6.783 -4.801 -12.806 1.00 0.00 C ATOM 823 CD LYS A 55 -6.402 -6.208 -13.204 1.00 0.00 C ATOM 824 CE LYS A 55 -6.967 -6.586 -14.553 1.00 0.00 C ATOM 825 NZ LYS A 55 -6.600 -7.968 -14.914 1.00 0.00 N ATOM 0 H LYS A 55 -5.456 -3.754 -9.279 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.104 -2.333 -11.638 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.116 -4.593 -11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.567 -5.194 -10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.868 -4.705 -12.774 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.422 -4.093 -13.552 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.316 -6.297 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.763 -6.908 -12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.052 -6.487 -14.537 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.596 -5.898 -15.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.001 -8.202 -15.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.564 -8.054 -14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.976 -8.625 -14.200 1.00 0.00 H new ATOM 839 N LYS A 56 -8.611 -3.185 -9.722 1.00 0.00 N ATOM 840 CA LYS A 56 -10.040 -2.948 -9.584 1.00 0.00 C ATOM 841 C LYS A 56 -10.357 -1.634 -8.903 1.00 0.00 C ATOM 842 O LYS A 56 -11.422 -1.061 -9.134 1.00 0.00 O ATOM 843 CB LYS A 56 -10.797 -4.096 -8.926 1.00 0.00 C ATOM 844 CG LYS A 56 -10.759 -5.396 -9.713 1.00 0.00 C ATOM 845 CD LYS A 56 -11.745 -6.424 -9.159 1.00 0.00 C ATOM 846 CE LYS A 56 -13.193 -5.946 -9.321 1.00 0.00 C ATOM 847 NZ LYS A 56 -14.172 -6.919 -8.792 1.00 0.00 N ATOM 0 H LYS A 56 -8.160 -3.643 -8.930 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.400 -2.886 -10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.379 -4.272 -7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.836 -3.799 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.993 -5.195 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.750 -5.808 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.613 -7.374 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.534 -6.603 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.318 -4.993 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.397 -5.767 -10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.135 -6.550 -8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.074 -7.821 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.997 -7.072 -7.778 1.00 0.00 H new ATOM 861 N LEU A 57 -9.463 -1.158 -8.069 1.00 0.00 N ATOM 862 CA LEU A 57 -9.652 0.099 -7.402 1.00 0.00 C ATOM 863 C LEU A 57 -8.706 1.145 -7.977 1.00 0.00 C ATOM 864 O LEU A 57 -7.582 1.274 -7.526 1.00 0.00 O ATOM 865 CB LEU A 57 -9.455 -0.020 -5.877 1.00 0.00 C ATOM 866 CG LEU A 57 -10.496 -0.829 -5.058 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.502 -2.313 -5.408 1.00 0.00 C ATOM 868 CD2 LEU A 57 -10.258 -0.639 -3.574 1.00 0.00 C ATOM 0 H LEU A 57 -8.590 -1.632 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.682 0.410 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.476 -0.467 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.422 0.989 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.479 -0.439 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.250 -2.826 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.742 -2.437 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.519 -2.738 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.995 -1.212 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.257 -0.986 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.351 0.418 -3.323 1.00 0.00 H new ATOM 880 N PRO A 58 -9.137 1.885 -9.013 1.00 0.00 N ATOM 881 CA PRO A 58 -8.300 2.876 -9.666 1.00 0.00 C ATOM 882 C PRO A 58 -8.400 4.260 -9.023 1.00 0.00 C ATOM 883 O PRO A 58 -7.631 5.165 -9.352 1.00 0.00 O ATOM 884 CB PRO A 58 -8.871 2.912 -11.075 1.00 0.00 C ATOM 885 CG PRO A 58 -10.325 2.623 -10.907 1.00 0.00 C ATOM 886 CD PRO A 58 -10.466 1.791 -9.654 1.00 0.00 C ATOM 0 HA PRO A 58 -7.242 2.620 -9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.713 3.885 -11.541 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.392 2.171 -11.715 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.895 3.548 -10.822 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.714 2.087 -11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.251 2.177 -9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.725 0.758 -9.887 1.00 0.00 H new ATOM 894 N ASN A 59 -9.341 4.420 -8.111 1.00 0.00 N ATOM 895 CA ASN A 59 -9.539 5.701 -7.442 1.00 0.00 C ATOM 896 C ASN A 59 -8.819 5.675 -6.095 1.00 0.00 C ATOM 897 O ASN A 59 -8.827 6.639 -5.320 1.00 0.00 O ATOM 898 CB ASN A 59 -11.046 5.991 -7.309 1.00 0.00 C ATOM 899 CG ASN A 59 -11.383 7.354 -6.716 1.00 0.00 C ATOM 900 OD1 ASN A 59 -11.461 8.347 -7.436 1.00 0.00 O ATOM 901 ND2 ASN A 59 -11.654 7.397 -5.432 1.00 0.00 N ATOM 0 H ASN A 59 -9.981 3.683 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.112 6.515 -8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.505 5.915 -8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.497 5.218 -6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.941 8.276 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.578 6.552 -4.866 1.00 0.00 H new ATOM 908 N VAL A 60 -8.178 4.563 -5.848 1.00 0.00 N ATOM 909 CA VAL A 60 -7.383 4.349 -4.678 1.00 0.00 C ATOM 910 C VAL A 60 -5.968 4.091 -5.135 1.00 0.00 C ATOM 911 O VAL A 60 -5.744 3.270 -6.011 1.00 0.00 O ATOM 912 CB VAL A 60 -7.893 3.132 -3.854 1.00 0.00 C ATOM 913 CG1 VAL A 60 -7.003 2.881 -2.648 1.00 0.00 C ATOM 914 CG2 VAL A 60 -9.335 3.342 -3.414 1.00 0.00 C ATOM 0 H VAL A 60 -8.198 3.760 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.442 5.226 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.854 2.253 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.381 2.025 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.986 2.675 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.003 3.762 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.670 2.478 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.400 4.237 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.970 3.462 -4.292 1.00 0.00 H new ATOM 924 N LEU A 61 -5.030 4.803 -4.587 1.00 0.00 N ATOM 925 CA LEU A 61 -3.676 4.637 -4.962 1.00 0.00 C ATOM 926 C LEU A 61 -2.987 3.654 -4.065 1.00 0.00 C ATOM 927 O LEU A 61 -3.098 3.726 -2.835 1.00 0.00 O ATOM 928 CB LEU A 61 -2.931 5.970 -4.991 1.00 0.00 C ATOM 929 CG LEU A 61 -3.257 6.951 -6.142 1.00 0.00 C ATOM 930 CD1 LEU A 61 -3.039 6.295 -7.503 1.00 0.00 C ATOM 931 CD2 LEU A 61 -4.662 7.527 -6.032 1.00 0.00 C ATOM 0 H LEU A 61 -5.190 5.511 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.665 4.236 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.124 6.483 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.863 5.756 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.563 7.787 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.276 7.008 -8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.998 5.985 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.687 5.423 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.842 8.209 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.391 6.717 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.761 8.068 -5.091 1.00 0.00 H new ATOM 943 N PHE A 62 -2.302 2.732 -4.670 1.00 0.00 N ATOM 944 CA PHE A 62 -1.574 1.737 -3.950 1.00 0.00 C ATOM 945 C PHE A 62 -0.104 1.975 -4.135 1.00 0.00 C ATOM 946 O PHE A 62 0.358 2.306 -5.236 1.00 0.00 O ATOM 947 CB PHE A 62 -1.934 0.336 -4.422 1.00 0.00 C ATOM 948 CG PHE A 62 -3.387 -0.049 -4.220 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.375 0.425 -5.066 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.753 -0.892 -3.188 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.695 0.067 -4.884 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.074 -1.254 -2.999 1.00 0.00 C ATOM 953 CZ PHE A 62 -6.045 -0.773 -3.849 1.00 0.00 C ATOM 0 H PHE A 62 -2.233 2.650 -5.684 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.836 1.810 -2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.694 0.252 -5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.306 -0.382 -3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.109 1.084 -5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.996 -1.274 -2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.454 0.445 -5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.344 -1.913 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.078 -1.053 -3.705 1.00 0.00 H new ATOM 963 N LEU A 63 0.613 1.840 -3.083 1.00 0.00 N ATOM 964 CA LEU A 63 2.039 2.041 -3.071 1.00 0.00 C ATOM 965 C LEU A 63 2.736 0.810 -2.580 1.00 0.00 C ATOM 966 O LEU A 63 2.252 0.133 -1.676 1.00 0.00 O ATOM 967 CB LEU A 63 2.470 3.259 -2.223 1.00 0.00 C ATOM 968 CG LEU A 63 2.245 4.679 -2.803 1.00 0.00 C ATOM 969 CD1 LEU A 63 0.782 5.003 -3.021 1.00 0.00 C ATOM 970 CD2 LEU A 63 2.890 5.717 -1.910 1.00 0.00 C ATOM 0 H LEU A 63 0.228 1.580 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 63 2.331 2.247 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.944 3.203 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.533 3.153 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 63 2.718 4.698 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.689 6.010 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.351 4.287 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.251 4.946 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.725 6.710 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.449 5.665 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.961 5.525 -1.843 1.00 0.00 H new ATOM 982 N LYS A 64 3.857 0.528 -3.165 1.00 0.00 N ATOM 983 CA LYS A 64 4.629 -0.625 -2.822 1.00 0.00 C ATOM 984 C LYS A 64 5.976 -0.078 -2.342 1.00 0.00 C ATOM 985 O LYS A 64 6.722 0.528 -3.113 1.00 0.00 O ATOM 986 CB LYS A 64 4.783 -1.456 -4.127 1.00 0.00 C ATOM 987 CG LYS A 64 5.069 -2.988 -4.060 1.00 0.00 C ATOM 988 CD LYS A 64 6.427 -3.419 -3.492 1.00 0.00 C ATOM 989 CE LYS A 64 6.496 -3.353 -1.990 1.00 0.00 C ATOM 990 NZ LYS A 64 7.798 -3.848 -1.497 1.00 0.00 N ATOM 0 H LYS A 64 4.267 1.099 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 64 4.188 -1.258 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.867 -1.325 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.589 -1.003 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.288 -3.452 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.979 -3.394 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.640 -4.439 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.206 -2.783 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.345 -2.325 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.690 -3.947 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.009 -3.412 -0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.758 -4.882 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.544 -3.600 -2.178 1.00 0.00 H new ATOM 1004 N VAL A 65 6.265 -0.264 -1.082 1.00 0.00 N ATOM 1005 CA VAL A 65 7.489 0.233 -0.484 1.00 0.00 C ATOM 1006 C VAL A 65 8.450 -0.900 -0.255 1.00 0.00 C ATOM 1007 O VAL A 65 8.120 -1.881 0.428 1.00 0.00 O ATOM 1008 CB VAL A 65 7.212 0.960 0.859 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.506 1.418 1.522 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.300 2.142 0.627 1.00 0.00 C ATOM 0 H VAL A 65 5.659 -0.766 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 65 7.927 0.952 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 65 6.725 0.253 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.275 1.923 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.138 0.553 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.031 2.106 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.110 2.647 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.774 2.837 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.356 1.796 0.205 1.00 0.00 H new ATOM 1020 N ASP A 66 9.613 -0.795 -0.844 1.00 0.00 N ATOM 1021 CA ASP A 66 10.633 -1.809 -0.696 1.00 0.00 C ATOM 1022 C ASP A 66 11.481 -1.482 0.504 1.00 0.00 C ATOM 1023 O ASP A 66 12.191 -0.471 0.517 1.00 0.00 O ATOM 1024 CB ASP A 66 11.493 -1.892 -1.929 1.00 0.00 C ATOM 1025 CG ASP A 66 12.501 -3.009 -1.850 1.00 0.00 C ATOM 1026 OD1 ASP A 66 13.587 -2.802 -1.309 1.00 0.00 O ATOM 1027 OD2 ASP A 66 12.205 -4.110 -2.348 1.00 0.00 O ATOM 0 H ASP A 66 9.882 -0.010 -1.437 1.00 0.00 H new ATOM 0 HA ASP A 66 10.152 -2.777 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.858 -2.040 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.014 -0.945 -2.070 1.00 0.00 H new ATOM 1032 N THR A 67 11.385 -2.303 1.513 1.00 0.00 N ATOM 1033 CA THR A 67 12.069 -2.074 2.766 1.00 0.00 C ATOM 1034 C THR A 67 13.575 -2.318 2.697 1.00 0.00 C ATOM 1035 O THR A 67 14.297 -1.936 3.601 1.00 0.00 O ATOM 1036 CB THR A 67 11.445 -2.910 3.893 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.475 -4.292 3.514 1.00 0.00 O ATOM 1038 CG2 THR A 67 10.001 -2.486 4.143 1.00 0.00 C ATOM 0 H THR A 67 10.827 -3.157 1.494 1.00 0.00 H new ATOM 0 HA THR A 67 11.938 -1.014 2.985 1.00 0.00 H new ATOM 0 HB THR A 67 12.015 -2.754 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.990 -4.824 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.578 -3.091 4.945 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.975 -1.434 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.417 -2.629 3.234 1.00 0.00 H new ATOM 1046 N ASP A 68 14.048 -2.957 1.643 1.00 0.00 N ATOM 1047 CA ASP A 68 15.430 -3.212 1.501 1.00 0.00 C ATOM 1048 C ASP A 68 16.122 -1.957 1.062 1.00 0.00 C ATOM 1049 O ASP A 68 17.258 -1.677 1.455 1.00 0.00 O ATOM 1050 CB ASP A 68 15.643 -4.315 0.495 1.00 0.00 C ATOM 1051 CG ASP A 68 15.081 -5.638 0.935 1.00 0.00 C ATOM 1052 OD1 ASP A 68 15.603 -6.214 1.926 1.00 0.00 O ATOM 1053 OD2 ASP A 68 14.148 -6.148 0.284 1.00 0.00 O ATOM 0 H ASP A 68 13.471 -3.304 0.877 1.00 0.00 H new ATOM 0 HA ASP A 68 15.847 -3.530 2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.182 -4.029 -0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.711 -4.426 0.308 1.00 0.00 H new ATOM 1058 N GLU A 69 15.435 -1.199 0.259 1.00 0.00 N ATOM 1059 CA GLU A 69 15.893 0.050 -0.209 1.00 0.00 C ATOM 1060 C GLU A 69 15.552 1.159 0.767 1.00 0.00 C ATOM 1061 O GLU A 69 16.449 1.842 1.274 1.00 0.00 O ATOM 1062 CB GLU A 69 15.329 0.301 -1.583 1.00 0.00 C ATOM 1063 CG GLU A 69 15.985 -0.555 -2.649 1.00 0.00 C ATOM 1064 CD GLU A 69 15.424 -0.368 -4.032 1.00 0.00 C ATOM 1065 OE1 GLU A 69 15.886 0.535 -4.757 1.00 0.00 O ATOM 1066 OE2 GLU A 69 14.544 -1.152 -4.441 1.00 0.00 O ATOM 0 H GLU A 69 14.512 -1.453 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 69 16.980 0.035 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.257 0.104 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.457 1.353 -1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.052 -0.332 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.884 -1.603 -2.368 1.00 0.00 H new ATOM 1073 N LEU A 70 14.277 1.311 1.069 1.00 0.00 N ATOM 1074 CA LEU A 70 13.802 2.303 1.990 1.00 0.00 C ATOM 1075 C LEU A 70 13.807 1.723 3.395 1.00 0.00 C ATOM 1076 O LEU A 70 12.802 1.729 4.116 1.00 0.00 O ATOM 1077 CB LEU A 70 12.400 2.773 1.591 1.00 0.00 C ATOM 1078 CG LEU A 70 12.275 3.648 0.324 1.00 0.00 C ATOM 1079 CD1 LEU A 70 12.623 2.880 -0.925 1.00 0.00 C ATOM 1080 CD2 LEU A 70 10.888 4.254 0.212 1.00 0.00 C ATOM 0 H LEU A 70 13.536 0.734 0.670 1.00 0.00 H new ATOM 0 HA LEU A 70 14.460 3.171 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.776 1.890 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.981 3.332 2.428 1.00 0.00 H new ATOM 0 HG LEU A 70 12.996 4.459 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.522 3.532 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.650 2.522 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.949 2.030 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.829 4.865 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.146 3.457 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.691 4.876 1.085 1.00 0.00 H new ATOM 1092 N LYS A 71 14.964 1.258 3.771 1.00 0.00 N ATOM 1093 CA LYS A 71 15.187 0.550 5.001 1.00 0.00 C ATOM 1094 C LYS A 71 15.026 1.480 6.207 1.00 0.00 C ATOM 1095 O LYS A 71 14.512 1.080 7.258 1.00 0.00 O ATOM 1096 CB LYS A 71 16.578 -0.065 4.950 1.00 0.00 C ATOM 1097 CG LYS A 71 16.861 -1.090 6.011 1.00 0.00 C ATOM 1098 CD LYS A 71 18.257 -1.641 5.835 1.00 0.00 C ATOM 1099 CE LYS A 71 18.570 -2.715 6.846 1.00 0.00 C ATOM 1100 NZ LYS A 71 19.903 -3.303 6.613 1.00 0.00 N ATOM 0 H LYS A 71 15.809 1.365 3.210 1.00 0.00 H new ATOM 0 HA LYS A 71 14.445 -0.240 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.718 -0.528 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.315 0.734 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.760 -0.641 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.132 -1.898 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.362 -2.048 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.981 -0.832 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.527 -2.294 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.812 -3.497 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.087 -4.038 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.935 -3.725 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.628 -2.561 6.686 1.00 0.00 H new ATOM 1114 N SER A 72 15.447 2.714 6.043 1.00 0.00 N ATOM 1115 CA SER A 72 15.324 3.708 7.082 1.00 0.00 C ATOM 1116 C SER A 72 13.845 4.086 7.264 1.00 0.00 C ATOM 1117 O SER A 72 13.380 4.337 8.382 1.00 0.00 O ATOM 1118 CB SER A 72 16.151 4.927 6.710 1.00 0.00 C ATOM 1119 OG SER A 72 17.505 4.550 6.428 1.00 0.00 O ATOM 0 H SER A 72 15.883 3.055 5.187 1.00 0.00 H new ATOM 0 HA SER A 72 15.695 3.307 8.026 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.715 5.417 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.131 5.650 7.526 1.00 0.00 H new ATOM 0 HG SER A 72 18.023 5.347 6.189 1.00 0.00 H new ATOM 1125 N VAL A 73 13.106 4.071 6.158 1.00 0.00 N ATOM 1126 CA VAL A 73 11.679 4.369 6.170 1.00 0.00 C ATOM 1127 C VAL A 73 10.937 3.264 6.920 1.00 0.00 C ATOM 1128 O VAL A 73 10.020 3.532 7.700 1.00 0.00 O ATOM 1129 CB VAL A 73 11.117 4.499 4.722 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.629 4.810 4.719 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.879 5.556 3.948 1.00 0.00 C ATOM 0 H VAL A 73 13.478 3.853 5.234 1.00 0.00 H new ATOM 0 HA VAL A 73 11.529 5.323 6.675 1.00 0.00 H new ATOM 0 HB VAL A 73 11.253 3.535 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.277 4.893 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.089 4.009 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.453 5.751 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.472 5.632 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.781 6.517 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.932 5.280 3.895 1.00 0.00 H new ATOM 1141 N ALA A 74 11.370 2.025 6.704 1.00 0.00 N ATOM 1142 CA ALA A 74 10.800 0.871 7.383 1.00 0.00 C ATOM 1143 C ALA A 74 10.931 1.024 8.898 1.00 0.00 C ATOM 1144 O ALA A 74 9.992 0.750 9.643 1.00 0.00 O ATOM 1145 CB ALA A 74 11.480 -0.408 6.918 1.00 0.00 C ATOM 0 H ALA A 74 12.123 1.796 6.055 1.00 0.00 H new ATOM 0 HA ALA A 74 9.741 0.811 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.042 -1.262 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.340 -0.524 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.545 -0.356 7.142 1.00 0.00 H new ATOM 1151 N SER A 75 12.085 1.494 9.337 1.00 0.00 N ATOM 1152 CA SER A 75 12.335 1.709 10.744 1.00 0.00 C ATOM 1153 C SER A 75 11.434 2.826 11.300 1.00 0.00 C ATOM 1154 O SER A 75 10.872 2.702 12.394 1.00 0.00 O ATOM 1155 CB SER A 75 13.796 2.084 10.950 1.00 0.00 C ATOM 1156 OG SER A 75 14.672 1.105 10.395 1.00 0.00 O ATOM 0 H SER A 75 12.868 1.735 8.730 1.00 0.00 H new ATOM 0 HA SER A 75 12.109 0.786 11.279 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.992 3.052 10.489 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.998 2.192 12.016 1.00 0.00 H new ATOM 0 HG SER A 75 14.636 1.151 9.417 1.00 0.00 H new ATOM 1162 N ASP A 76 11.280 3.897 10.530 1.00 0.00 N ATOM 1163 CA ASP A 76 10.505 5.066 10.970 1.00 0.00 C ATOM 1164 C ASP A 76 9.014 4.743 11.078 1.00 0.00 C ATOM 1165 O ASP A 76 8.326 5.208 11.989 1.00 0.00 O ATOM 1166 CB ASP A 76 10.713 6.239 10.005 1.00 0.00 C ATOM 1167 CG ASP A 76 10.051 7.522 10.476 1.00 0.00 C ATOM 1168 OD1 ASP A 76 8.838 7.708 10.261 1.00 0.00 O ATOM 1169 OD2 ASP A 76 10.743 8.379 11.054 1.00 0.00 O ATOM 0 H ASP A 76 11.680 3.986 9.596 1.00 0.00 H new ATOM 0 HA ASP A 76 10.865 5.345 11.960 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.782 6.413 9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.317 5.971 9.026 1.00 0.00 H new ATOM 1174 N TRP A 77 8.524 3.926 10.176 1.00 0.00 N ATOM 1175 CA TRP A 77 7.128 3.568 10.169 1.00 0.00 C ATOM 1176 C TRP A 77 6.841 2.320 10.986 1.00 0.00 C ATOM 1177 O TRP A 77 5.698 1.842 11.014 1.00 0.00 O ATOM 1178 CB TRP A 77 6.582 3.471 8.751 1.00 0.00 C ATOM 1179 CG TRP A 77 6.545 4.803 8.046 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.574 5.427 7.415 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.411 5.672 7.909 1.00 0.00 C ATOM 1182 NE1 TRP A 77 7.164 6.626 6.900 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.840 6.803 7.186 1.00 0.00 C ATOM 1184 CE3 TRP A 77 4.079 5.607 8.328 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.985 7.857 6.871 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 3.232 6.653 8.014 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.687 7.764 7.292 1.00 0.00 C ATOM 0 H TRP A 77 9.076 3.495 9.434 1.00 0.00 H new ATOM 0 HA TRP A 77 6.592 4.378 10.663 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.197 2.778 8.177 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.576 3.054 8.782 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.576 5.032 7.332 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.752 7.282 6.386 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.719 4.756 8.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 5.334 8.715 6.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.200 6.613 8.331 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.998 8.564 7.063 1.00 0.00 H new ATOM 1198 N ALA A 78 7.883 1.823 11.673 1.00 0.00 N ATOM 1199 CA ALA A 78 7.800 0.664 12.571 1.00 0.00 C ATOM 1200 C ALA A 78 7.395 -0.600 11.821 1.00 0.00 C ATOM 1201 O ALA A 78 6.558 -1.388 12.293 1.00 0.00 O ATOM 1202 CB ALA A 78 6.837 0.953 13.730 1.00 0.00 C ATOM 0 H ALA A 78 8.820 2.223 11.618 1.00 0.00 H new ATOM 0 HA ALA A 78 8.793 0.488 12.984 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.787 0.084 14.386 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.195 1.814 14.294 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.844 1.166 13.334 1.00 0.00 H new ATOM 1208 N ILE A 79 8.011 -0.816 10.674 1.00 0.00 N ATOM 1209 CA ILE A 79 7.712 -1.975 9.873 1.00 0.00 C ATOM 1210 C ILE A 79 8.891 -2.948 9.868 1.00 0.00 C ATOM 1211 O ILE A 79 9.828 -2.809 9.080 1.00 0.00 O ATOM 1212 CB ILE A 79 7.358 -1.606 8.403 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.239 -0.543 8.339 1.00 0.00 C ATOM 1214 CG2 ILE A 79 6.954 -2.860 7.621 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.939 -0.945 9.008 1.00 0.00 C ATOM 0 H ILE A 79 8.722 -0.199 10.280 1.00 0.00 H new ATOM 0 HA ILE A 79 6.840 -2.445 10.327 1.00 0.00 H new ATOM 0 HB ILE A 79 8.248 -1.176 7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.602 0.374 8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.036 -0.312 7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.709 -2.586 6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.781 -3.570 7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.084 -3.318 8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.215 -0.136 8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.546 -1.842 8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.120 -1.146 10.064 1.00 0.00 H new ATOM 1227 N GLN A 80 8.875 -3.872 10.793 1.00 0.00 N ATOM 1228 CA GLN A 80 9.845 -4.925 10.839 1.00 0.00 C ATOM 1229 C GLN A 80 9.190 -6.215 10.394 1.00 0.00 C ATOM 1230 O GLN A 80 9.779 -7.010 9.662 1.00 0.00 O ATOM 1231 CB GLN A 80 10.461 -5.092 12.241 1.00 0.00 C ATOM 1232 CG GLN A 80 11.346 -3.935 12.726 1.00 0.00 C ATOM 1233 CD GLN A 80 10.599 -2.641 12.999 1.00 0.00 C ATOM 1234 OE1 GLN A 80 9.430 -2.645 13.384 1.00 0.00 O ATOM 1235 NE2 GLN A 80 11.261 -1.535 12.791 1.00 0.00 N ATOM 0 H GLN A 80 8.181 -3.912 11.540 1.00 0.00 H new ATOM 0 HA GLN A 80 10.663 -4.665 10.167 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.652 -5.230 12.958 1.00 0.00 H new ATOM 0 HB3 GLN A 80 11.054 -6.006 12.250 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.858 -4.243 13.638 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.115 -3.745 11.978 1.00 0.00 H new ATOM 0 HE21 GLN A 80 12.229 -1.572 12.472 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.810 -0.634 12.948 1.00 0.00 H new ATOM 1244 N ALA A 81 7.963 -6.421 10.832 1.00 0.00 N ATOM 1245 CA ALA A 81 7.204 -7.581 10.426 1.00 0.00 C ATOM 1246 C ALA A 81 6.534 -7.283 9.098 1.00 0.00 C ATOM 1247 O ALA A 81 5.741 -6.347 8.990 1.00 0.00 O ATOM 1248 CB ALA A 81 6.175 -7.936 11.479 1.00 0.00 C ATOM 0 H ALA A 81 7.472 -5.796 11.471 1.00 0.00 H new ATOM 0 HA ALA A 81 7.870 -8.436 10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.612 -8.812 11.157 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.679 -8.154 12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.493 -7.097 11.618 1.00 0.00 H new ATOM 1254 N MET A 82 6.858 -8.057 8.102 1.00 0.00 N ATOM 1255 CA MET A 82 6.368 -7.832 6.769 1.00 0.00 C ATOM 1256 C MET A 82 5.494 -8.995 6.322 1.00 0.00 C ATOM 1257 O MET A 82 5.675 -10.131 6.790 1.00 0.00 O ATOM 1258 CB MET A 82 7.560 -7.656 5.829 1.00 0.00 C ATOM 1259 CG MET A 82 8.433 -6.453 6.173 1.00 0.00 C ATOM 1260 SD MET A 82 9.901 -6.325 5.144 1.00 0.00 S ATOM 1261 CE MET A 82 10.772 -7.821 5.624 1.00 0.00 C ATOM 0 H MET A 82 7.472 -8.866 8.190 1.00 0.00 H new ATOM 0 HA MET A 82 5.756 -6.930 6.749 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.171 -8.558 5.857 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.195 -7.550 4.808 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.843 -5.542 6.068 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.735 -6.518 7.218 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.844 -7.625 5.652 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.435 -8.137 6.611 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.566 -8.610 4.900 1.00 0.00 H new ATOM 1271 N PRO A 83 4.517 -8.745 5.432 1.00 0.00 N ATOM 1272 CA PRO A 83 4.241 -7.424 4.876 1.00 0.00 C ATOM 1273 C PRO A 83 3.213 -6.667 5.710 1.00 0.00 C ATOM 1274 O PRO A 83 2.423 -7.272 6.448 1.00 0.00 O ATOM 1275 CB PRO A 83 3.658 -7.758 3.508 1.00 0.00 C ATOM 1276 CG PRO A 83 2.942 -9.055 3.706 1.00 0.00 C ATOM 1277 CD PRO A 83 3.594 -9.752 4.889 1.00 0.00 C ATOM 0 HA PRO A 83 5.124 -6.785 4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.977 -6.978 3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.441 -7.849 2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.882 -8.884 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.010 -9.673 2.810 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.855 -10.056 5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.124 -10.653 4.579 1.00 0.00 H new ATOM 1285 N THR A 84 3.246 -5.377 5.644 1.00 0.00 N ATOM 1286 CA THR A 84 2.265 -4.600 6.316 1.00 0.00 C ATOM 1287 C THR A 84 1.535 -3.749 5.321 1.00 0.00 C ATOM 1288 O THR A 84 2.156 -2.992 4.569 1.00 0.00 O ATOM 1289 CB THR A 84 2.891 -3.711 7.370 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.654 -4.514 8.268 1.00 0.00 O ATOM 1291 CG2 THR A 84 1.832 -2.940 8.155 1.00 0.00 C ATOM 0 H THR A 84 3.944 -4.840 5.130 1.00 0.00 H new ATOM 0 HA THR A 84 1.573 -5.282 6.810 1.00 0.00 H new ATOM 0 HB THR A 84 3.532 -2.987 6.868 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.063 -3.943 8.951 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.318 -2.313 8.902 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.258 -2.313 7.473 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.163 -3.643 8.651 1.00 0.00 H new ATOM 1299 N PHE A 85 0.243 -3.862 5.319 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.573 -3.099 4.469 1.00 0.00 C ATOM 1301 C PHE A 85 -1.219 -2.043 5.304 1.00 0.00 C ATOM 1302 O PHE A 85 -1.912 -2.352 6.270 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.654 -3.994 3.875 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.143 -5.137 3.045 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.905 -4.970 1.695 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.910 -6.380 3.616 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.441 -6.016 0.927 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.444 -7.429 2.853 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.210 -7.245 1.506 1.00 0.00 C ATOM 0 H PHE A 85 -0.269 -4.503 5.925 1.00 0.00 H new ATOM 0 HA PHE A 85 0.011 -2.658 3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.259 -4.396 4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.313 -3.383 3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.084 -4.009 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.096 -6.527 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.259 -5.873 -0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.263 -8.392 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.155 -8.065 0.905 1.00 0.00 H new ATOM 1319 N MET A 86 -0.993 -0.820 4.971 1.00 0.00 N ATOM 1320 CA MET A 86 -1.568 0.252 5.713 1.00 0.00 C ATOM 1321 C MET A 86 -2.554 0.978 4.848 1.00 0.00 C ATOM 1322 O MET A 86 -2.220 1.460 3.763 1.00 0.00 O ATOM 1323 CB MET A 86 -0.477 1.182 6.268 1.00 0.00 C ATOM 1324 CG MET A 86 -0.990 2.309 7.167 1.00 0.00 C ATOM 1325 SD MET A 86 0.352 3.259 7.943 1.00 0.00 S ATOM 1326 CE MET A 86 1.174 3.968 6.515 1.00 0.00 C ATOM 0 H MET A 86 -0.410 -0.534 4.184 1.00 0.00 H new ATOM 0 HA MET A 86 -2.102 -0.143 6.577 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.238 0.583 6.832 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.065 1.622 5.431 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.612 2.983 6.578 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.626 1.886 7.945 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.253 3.858 6.624 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.846 3.451 5.613 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.923 5.026 6.439 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.749 1.026 5.321 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.841 1.610 4.661 1.00 0.00 C ATOM 1338 C PHE A 87 -5.122 2.960 5.255 1.00 0.00 C ATOM 1339 O PHE A 87 -5.433 3.086 6.457 1.00 0.00 O ATOM 1340 CB PHE A 87 -6.044 0.714 4.857 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.955 -0.629 4.184 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.253 -1.677 4.767 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.580 -0.843 2.972 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.178 -2.906 4.146 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.509 -2.070 2.348 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.808 -3.102 2.935 1.00 0.00 C ATOM 0 H PHE A 87 -3.995 0.634 6.230 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.623 1.727 3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.192 0.559 5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.928 1.232 4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.761 -1.527 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.131 -0.039 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.627 -3.713 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.002 -2.223 1.400 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.752 -4.064 2.447 1.00 0.00 H new ATOM 1356 N LEU A 88 -5.005 3.964 4.461 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.256 5.278 4.927 1.00 0.00 C ATOM 1358 C LEU A 88 -6.372 5.857 4.085 1.00 0.00 C ATOM 1359 O LEU A 88 -6.619 5.397 2.981 1.00 0.00 O ATOM 1360 CB LEU A 88 -4.019 6.216 4.780 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.661 5.787 5.378 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -2.026 4.665 4.571 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.723 6.981 5.460 1.00 0.00 C ATOM 0 H LEU A 88 -4.735 3.898 3.480 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.508 5.217 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.866 6.390 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.283 7.176 5.225 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.842 5.408 6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.072 4.388 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.689 3.800 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.861 5.001 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.769 6.666 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.561 7.386 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.166 7.749 6.095 1.00 0.00 H new ATOM 1375 N LYS A 89 -7.011 6.857 4.575 1.00 0.00 N ATOM 1376 CA LYS A 89 -8.019 7.523 3.827 1.00 0.00 C ATOM 1377 C LYS A 89 -7.807 8.988 3.925 1.00 0.00 C ATOM 1378 O LYS A 89 -7.816 9.554 5.022 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.422 7.152 4.285 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.528 7.861 3.518 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.900 7.444 3.988 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.981 8.193 3.237 1.00 0.00 C ATOM 1383 NZ LYS A 89 -14.327 7.801 3.677 1.00 0.00 N ATOM 0 H LYS A 89 -6.851 7.239 5.507 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.938 7.203 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.554 6.075 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.521 7.385 5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.417 8.939 3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.428 7.644 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.028 6.371 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.996 7.635 5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.849 9.265 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.879 8.003 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.038 8.336 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.463 6.783 3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.434 8.006 4.691 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.564 9.588 2.779 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.357 11.017 2.631 1.00 0.00 C ATOM 1399 C GLU A 90 -6.047 11.461 3.292 1.00 0.00 C ATOM 1400 O GLU A 90 -5.862 12.632 3.622 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.544 11.796 3.180 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.860 11.487 2.492 1.00 0.00 C ATOM 1403 CD GLU A 90 -11.019 12.175 3.149 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -11.425 11.740 4.244 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.553 13.145 2.578 1.00 0.00 O ATOM 0 H GLU A 90 -7.503 9.081 1.896 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.276 11.235 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.644 11.583 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.339 12.863 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.803 11.794 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.028 10.410 2.499 1.00 0.00 H new ATOM 1412 N GLY A 91 -5.135 10.522 3.433 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.867 10.802 4.068 1.00 0.00 C ATOM 1414 C GLY A 91 -3.904 10.526 5.558 1.00 0.00 C ATOM 1415 O GLY A 91 -2.891 10.631 6.240 1.00 0.00 O ATOM 0 H GLY A 91 -5.249 9.559 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.089 10.195 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.600 11.845 3.899 1.00 0.00 H new ATOM 1419 N LYS A 92 -5.069 10.170 6.059 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.231 9.850 7.461 1.00 0.00 C ATOM 1421 C LYS A 92 -5.250 8.340 7.622 1.00 0.00 C ATOM 1422 O LYS A 92 -5.976 7.653 6.912 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.535 10.465 7.987 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.590 11.981 7.833 1.00 0.00 C ATOM 1425 CD LYS A 92 -7.914 12.577 8.301 1.00 0.00 C ATOM 1426 CE LYS A 92 -8.171 12.337 9.785 1.00 0.00 C ATOM 1427 NZ LYS A 92 -9.401 13.029 10.249 1.00 0.00 N ATOM 0 H LYS A 92 -5.925 10.095 5.509 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.402 10.262 8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.378 10.022 7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.651 10.209 9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.775 12.429 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.430 12.241 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.916 13.649 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.729 12.145 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.264 11.267 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.316 12.687 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.543 12.843 11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.302 14.053 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.220 12.677 9.714 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.469 7.835 8.546 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.341 6.395 8.753 1.00 0.00 C ATOM 1443 C ILE A 93 -5.621 5.823 9.339 1.00 0.00 C ATOM 1444 O ILE A 93 -6.091 6.289 10.376 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.154 6.060 9.706 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.839 6.629 9.148 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.036 4.544 9.909 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.632 6.401 10.042 1.00 0.00 C ATOM 0 H ILE A 93 -3.902 8.400 9.178 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.149 5.945 7.779 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.350 6.523 10.673 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.646 6.179 8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.960 7.700 8.986 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.202 4.330 10.577 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.958 4.163 10.347 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.864 4.060 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.253 6.833 9.575 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.800 6.876 11.009 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.482 5.331 10.184 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.187 4.838 8.680 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.356 4.192 9.188 1.00 0.00 C ATOM 1462 C LEU A 94 -6.993 2.910 9.871 1.00 0.00 C ATOM 1463 O LEU A 94 -7.234 2.741 11.077 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.375 3.918 8.081 1.00 0.00 C ATOM 1465 CG LEU A 94 -9.017 5.134 7.423 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -10.104 4.698 6.461 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.576 6.087 8.464 1.00 0.00 C ATOM 0 H LEU A 94 -5.849 4.472 7.790 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.813 4.868 9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.884 3.331 7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.169 3.297 8.496 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.247 5.665 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.554 5.576 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.672 4.062 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.869 4.142 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.028 6.945 7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.331 5.574 9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.771 6.428 9.115 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.387 2.021 9.123 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.057 0.702 9.615 1.00 0.00 C ATOM 1481 C ASP A 95 -4.876 0.103 8.921 1.00 0.00 C ATOM 1482 O ASP A 95 -4.521 0.506 7.829 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.254 -0.254 9.581 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.051 -0.258 8.290 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.597 -0.787 7.280 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -9.192 0.239 8.309 1.00 0.00 O ATOM 0 H ASP A 95 -6.108 2.189 8.156 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.780 0.844 10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.894 -1.266 9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.925 0.003 10.401 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.236 -0.831 9.581 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.088 -1.508 9.030 1.00 0.00 C ATOM 1493 C LYS A 96 -3.148 -2.995 9.373 1.00 0.00 C ATOM 1494 O LYS A 96 -3.488 -3.375 10.508 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.780 -0.873 9.547 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.616 -0.942 11.052 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.345 -0.274 11.525 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.184 -0.421 13.034 1.00 0.00 C ATOM 1499 NZ LYS A 96 -1.338 0.144 13.779 1.00 0.00 N ATOM 0 H LYS A 96 -4.497 -1.143 10.516 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.102 -1.401 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.934 -1.373 9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.747 0.171 9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.473 -0.467 11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.614 -1.986 11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.513 -0.716 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.363 0.783 11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.073 -1.476 13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.731 0.080 13.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.095 0.224 14.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.567 1.086 13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.161 -0.482 13.670 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.848 -3.815 8.411 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.864 -5.254 8.577 1.00 0.00 C ATOM 1515 C VAL A 97 -1.455 -5.791 8.398 1.00 0.00 C ATOM 1516 O VAL A 97 -0.807 -5.518 7.381 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.813 -5.935 7.541 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.842 -7.452 7.730 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -5.220 -5.363 7.639 1.00 0.00 C ATOM 0 H VAL A 97 -2.581 -3.510 7.475 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.234 -5.481 9.577 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.421 -5.725 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.511 -7.898 6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.838 -7.854 7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.198 -7.687 8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.863 -5.852 6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.613 -5.534 8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.192 -4.292 7.438 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.979 -6.517 9.376 1.00 0.00 N ATOM 1530 CA VAL A 98 0.341 -7.096 9.315 1.00 0.00 C ATOM 1531 C VAL A 98 0.234 -8.591 9.000 1.00 0.00 C ATOM 1532 O VAL A 98 -0.618 -9.293 9.560 1.00 0.00 O ATOM 1533 CB VAL A 98 1.143 -6.855 10.636 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.455 -7.478 11.848 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.578 -7.350 10.510 1.00 0.00 C ATOM 0 H VAL A 98 -1.491 -6.724 10.234 1.00 0.00 H new ATOM 0 HA VAL A 98 0.895 -6.603 8.516 1.00 0.00 H new ATOM 0 HB VAL A 98 1.169 -5.777 10.798 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.048 -7.285 12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.536 -7.041 11.969 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.361 -8.554 11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.109 -7.168 11.444 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.577 -8.419 10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.077 -6.818 9.700 1.00 0.00 H new ATOM 1545 N GLY A 99 1.059 -9.059 8.093 1.00 0.00 N ATOM 1546 CA GLY A 99 1.026 -10.445 7.709 1.00 0.00 C ATOM 1547 C GLY A 99 0.075 -10.644 6.560 1.00 0.00 C ATOM 1548 O GLY A 99 -1.071 -10.185 6.611 1.00 0.00 O ATOM 0 H GLY A 99 1.760 -8.498 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.025 -10.775 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.717 -11.057 8.556 1.00 0.00 H new ATOM 1552 N ALA A 100 0.514 -11.317 5.523 1.00 0.00 N ATOM 1553 CA ALA A 100 -0.334 -11.467 4.371 1.00 0.00 C ATOM 1554 C ALA A 100 -1.261 -12.638 4.533 1.00 0.00 C ATOM 1555 O ALA A 100 -0.836 -13.802 4.529 1.00 0.00 O ATOM 1556 CB ALA A 100 0.501 -11.635 3.113 1.00 0.00 C ATOM 0 H ALA A 100 1.431 -11.759 5.455 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.935 -10.562 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.157 -11.747 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.132 -10.757 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.128 -12.521 3.208 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.504 -12.331 4.733 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.531 -13.273 4.742 1.00 0.00 C ATOM 1564 C LYS A 101 -4.593 -12.796 3.771 1.00 0.00 C ATOM 1565 O LYS A 101 -5.216 -11.757 4.012 1.00 0.00 O ATOM 1566 CB LYS A 101 -4.082 -13.439 6.140 1.00 0.00 C ATOM 1567 CG LYS A 101 -5.056 -14.556 6.212 1.00 0.00 C ATOM 1568 CD LYS A 101 -5.593 -14.845 7.588 1.00 0.00 C ATOM 1569 CE LYS A 101 -4.549 -15.343 8.615 1.00 0.00 C ATOM 1570 NZ LYS A 101 -3.627 -14.287 9.123 1.00 0.00 N ATOM 0 H LYS A 101 -2.823 -11.376 4.899 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.166 -14.253 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.263 -13.624 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.564 -12.513 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.893 -14.331 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.580 -15.458 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.057 -13.938 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.380 -15.594 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.074 -15.787 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.956 -16.135 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.679 -14.431 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.983 -13.351 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.575 -14.341 10.160 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.772 -13.518 2.678 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.691 -13.150 1.615 1.00 0.00 C ATOM 1586 C LYS A 102 -7.092 -12.827 2.136 1.00 0.00 C ATOM 1587 O LYS A 102 -7.641 -11.767 1.824 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.755 -14.265 0.575 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.705 -13.978 -0.559 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.767 -15.115 -1.575 1.00 0.00 C ATOM 1591 CE LYS A 102 -5.430 -15.349 -2.263 1.00 0.00 C ATOM 1592 NZ LYS A 102 -5.515 -16.428 -3.273 1.00 0.00 N ATOM 0 H LYS A 102 -4.274 -14.391 2.502 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.308 -12.240 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.757 -14.430 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.056 -15.191 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.702 -13.801 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.397 -13.062 -1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.080 -16.031 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.524 -14.888 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.101 -14.427 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.677 -15.607 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.585 -16.559 -3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.805 -17.314 -2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.215 -16.171 -3.998 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.638 -13.715 2.947 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.984 -13.534 3.499 1.00 0.00 C ATOM 1608 C ASP A 103 -9.079 -12.281 4.353 1.00 0.00 C ATOM 1609 O ASP A 103 -10.026 -11.508 4.231 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.418 -14.750 4.314 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.760 -14.540 4.990 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.803 -14.706 4.336 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.782 -14.212 6.189 1.00 0.00 O ATOM 0 H ASP A 103 -7.175 -14.574 3.243 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.658 -13.422 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.475 -15.621 3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.663 -14.967 5.070 1.00 0.00 H new ATOM 1618 N GLU A 104 -8.089 -12.071 5.192 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.061 -10.919 6.088 1.00 0.00 C ATOM 1620 C GLU A 104 -7.946 -9.642 5.279 1.00 0.00 C ATOM 1621 O GLU A 104 -8.604 -8.639 5.569 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.882 -11.034 7.053 1.00 0.00 C ATOM 1623 CG GLU A 104 -6.809 -9.941 8.100 1.00 0.00 C ATOM 1624 CD GLU A 104 -7.982 -9.974 9.036 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -7.977 -10.802 9.968 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -8.928 -9.197 8.850 1.00 0.00 O ATOM 0 H GLU A 104 -7.280 -12.687 5.278 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.986 -10.894 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.937 -11.998 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.957 -11.028 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.887 -10.049 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.767 -8.970 7.607 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.127 -9.692 4.256 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.922 -8.566 3.387 1.00 0.00 C ATOM 1635 C LEU A 105 -8.231 -8.217 2.716 1.00 0.00 C ATOM 1636 O LEU A 105 -8.655 -7.070 2.721 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.878 -8.898 2.349 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.426 -7.738 1.464 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.863 -6.602 2.312 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.386 -8.204 0.470 1.00 0.00 C ATOM 0 H LEU A 105 -6.584 -10.518 4.005 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.572 -7.713 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.004 -9.304 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.269 -9.688 1.708 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.295 -7.369 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.547 -5.786 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.632 -6.244 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.008 -6.964 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.075 -7.365 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.522 -8.598 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.810 -8.986 -0.160 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.874 -9.226 2.173 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.203 -9.077 1.560 1.00 0.00 C ATOM 1654 C GLN A 106 -11.233 -8.548 2.545 1.00 0.00 C ATOM 1655 O GLN A 106 -12.103 -7.760 2.174 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.685 -10.385 0.936 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.960 -10.753 -0.339 1.00 0.00 C ATOM 1658 CD GLN A 106 -10.225 -9.747 -1.448 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -11.168 -9.893 -2.216 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -9.407 -8.724 -1.541 1.00 0.00 N ATOM 0 H GLN A 106 -8.504 -10.176 2.137 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.094 -8.339 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.560 -11.190 1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.752 -10.306 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.889 -10.807 -0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.276 -11.744 -0.664 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.631 -8.631 -0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.548 -8.023 -2.268 1.00 0.00 H new ATOM 1669 N SER A 107 -11.113 -8.947 3.797 1.00 0.00 N ATOM 1670 CA SER A 107 -12.047 -8.499 4.818 1.00 0.00 C ATOM 1671 C SER A 107 -11.812 -7.020 5.106 1.00 0.00 C ATOM 1672 O SER A 107 -12.748 -6.260 5.360 1.00 0.00 O ATOM 1673 CB SER A 107 -11.880 -9.334 6.083 1.00 0.00 C ATOM 1674 OG SER A 107 -12.033 -10.719 5.786 1.00 0.00 O ATOM 0 H SER A 107 -10.384 -9.576 4.132 1.00 0.00 H new ATOM 0 HA SER A 107 -13.069 -8.628 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.897 -9.155 6.518 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.617 -9.031 6.827 1.00 0.00 H new ATOM 0 HG SER A 107 -11.314 -11.006 5.186 1.00 0.00 H new ATOM 1680 N THR A 108 -10.561 -6.619 5.018 1.00 0.00 N ATOM 1681 CA THR A 108 -10.177 -5.253 5.209 1.00 0.00 C ATOM 1682 C THR A 108 -10.642 -4.419 4.001 1.00 0.00 C ATOM 1683 O THR A 108 -11.095 -3.285 4.151 1.00 0.00 O ATOM 1684 CB THR A 108 -8.650 -5.154 5.382 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.253 -6.060 6.433 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.246 -3.739 5.780 1.00 0.00 C ATOM 0 H THR A 108 -9.782 -7.244 4.810 1.00 0.00 H new ATOM 0 HA THR A 108 -10.649 -4.863 6.111 1.00 0.00 H new ATOM 0 HB THR A 108 -8.165 -5.408 4.440 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.301 -6.982 6.105 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.164 -3.689 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.559 -3.040 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.726 -3.475 6.722 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.554 -5.007 2.811 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.051 -4.368 1.599 1.00 0.00 C ATOM 1696 C ILE A 109 -12.550 -4.112 1.740 1.00 0.00 C ATOM 1697 O ILE A 109 -13.013 -2.999 1.565 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.777 -5.233 0.320 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.264 -5.435 0.090 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.430 -4.621 -0.922 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -8.481 -4.148 -0.111 1.00 0.00 C ATOM 0 H ILE A 109 -10.142 -5.928 2.661 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.517 -3.426 1.475 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.228 -6.210 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.847 -5.970 0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.124 -6.071 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.219 -5.247 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.508 -4.558 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.028 -3.622 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.428 -4.383 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.867 -3.620 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.586 -3.517 0.771 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.288 -5.142 2.115 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.734 -5.034 2.286 1.00 0.00 C ATOM 1715 C ALA A 110 -15.090 -4.068 3.418 1.00 0.00 C ATOM 1716 O ALA A 110 -16.124 -3.421 3.381 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.360 -6.401 2.501 1.00 0.00 C ATOM 0 H ALA A 110 -12.911 -6.070 2.309 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.150 -4.622 1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.437 -6.292 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.157 -7.034 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.936 -6.859 3.395 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.221 -3.992 4.422 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.377 -3.057 5.536 1.00 0.00 C ATOM 1725 C LYS A 111 -14.442 -1.633 5.007 1.00 0.00 C ATOM 1726 O LYS A 111 -15.286 -0.835 5.417 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.158 -3.150 6.408 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.186 -2.292 7.657 1.00 0.00 C ATOM 1729 CD LYS A 111 -11.827 -2.278 8.332 1.00 0.00 C ATOM 1730 CE LYS A 111 -11.846 -1.432 9.590 1.00 0.00 C ATOM 1731 NZ LYS A 111 -10.505 -1.308 10.196 1.00 0.00 N ATOM 0 H LYS A 111 -13.388 -4.577 4.488 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.286 -3.301 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -13.023 -4.190 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.286 -2.872 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.479 -1.275 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.937 -2.674 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.532 -3.297 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.079 -1.889 7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.230 -0.440 9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.531 -1.874 10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.598 -1.198 11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.950 -2.162 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.021 -0.476 9.801 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.543 -1.341 4.090 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.442 -0.043 3.478 1.00 0.00 C ATOM 1747 C HIS A 112 -14.498 0.164 2.394 1.00 0.00 C ATOM 1748 O HIS A 112 -15.049 1.259 2.256 1.00 0.00 O ATOM 1749 CB HIS A 112 -12.043 0.178 2.890 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.927 0.379 3.890 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.427 1.618 4.208 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.189 -0.506 4.604 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.433 1.481 5.063 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.272 0.204 5.318 1.00 0.00 N ATOM 0 H HIS A 112 -12.855 -2.012 3.748 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.620 0.690 4.265 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.794 -0.680 2.265 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.079 1.049 2.236 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.307 -1.580 4.606 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.848 2.286 5.484 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.574 -0.192 5.948 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.768 -0.864 1.616 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.696 -0.787 0.568 1.00 0.00 C ATOM 1765 C LEU A 113 -17.115 -1.047 1.034 1.00 0.00 C ATOM 1766 O LEU A 113 -17.543 -2.194 1.193 1.00 0.00 O ATOM 1767 CB LEU A 113 -15.293 -1.727 -0.553 1.00 0.00 C ATOM 1768 CG LEU A 113 -14.180 -1.262 -1.529 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -14.586 -0.004 -2.273 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -12.844 -1.055 -0.833 1.00 0.00 C ATOM 0 H LEU A 113 -14.329 -1.779 1.717 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.686 0.234 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.971 -2.666 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.184 -1.945 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.051 -2.068 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.784 0.294 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.491 -0.198 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.775 0.797 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -12.101 -0.730 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -12.951 -0.294 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.521 -1.992 -0.379 1.00 0.00 H new ATOM 1782 N ALA A 114 -17.818 0.015 1.281 1.00 0.00 N ATOM 1783 CA ALA A 114 -19.185 -0.041 1.689 1.00 0.00 C ATOM 1784 C ALA A 114 -20.050 0.185 0.474 1.00 0.00 C ATOM 1785 O ALA A 114 -20.566 -0.800 -0.089 1.00 0.00 O ATOM 1786 CB ALA A 114 -19.469 1.003 2.765 1.00 0.00 C ATOM 1787 OXT ALA A 114 -20.154 1.349 0.027 1.00 0.00 O ATOM 0 H ALA A 114 -17.449 0.963 1.203 1.00 0.00 H new ATOM 0 HA ALA A 114 -19.406 -1.017 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -20.516 0.944 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -18.835 0.815 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -19.259 1.998 2.371 1.00 0.00 H new TER 1793 ALA A 114