USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0147 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -56:sc= 0.516 USER MOD Single : A 5 SER OG : rot 34:sc= 0.903 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -2.14 F(o=-6.3!,f=-2.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 93:sc= 0.278 USER MOD Single : A 29 SER OG : rot 82:sc= 1.02 USER MOD Single : A 30 MET CE :methyl -129:sc= -1.13 (180deg=-3.14!) USER MOD Single : A 32 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.056) USER MOD Single : A 39 HIS : no HD1:sc= -0.673 X(o=-0.67,f=-0.67) USER MOD Single : A 42 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.104) USER MOD Single : A 54 MET CE :methyl 147:sc= -0.891 (180deg=-1.65) USER MOD Single : A 57 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 2:sc= 1.05 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.370 14.116 26.229 1.00 0.00 N ATOM 2 CA GLY A 1 4.289 15.048 25.961 1.00 0.00 C ATOM 3 C GLY A 1 3.644 15.568 27.230 1.00 0.00 C ATOM 4 O GLY A 1 3.537 14.846 28.221 1.00 0.00 O ATOM 0 H1 GLY A 1 5.407 13.401 25.475 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.273 14.631 26.262 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.206 13.647 27.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.673 15.888 25.382 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.533 14.557 25.348 1.00 0.00 H new ATOM 8 N SER A 2 3.215 16.826 27.201 1.00 0.00 N ATOM 9 CA SER A 2 2.582 17.444 28.360 1.00 0.00 C ATOM 10 C SER A 2 1.269 18.115 27.968 1.00 0.00 C ATOM 11 O SER A 2 1.230 19.314 27.691 1.00 0.00 O ATOM 12 CB SER A 2 3.522 18.470 28.995 1.00 0.00 C ATOM 13 OG SER A 2 2.941 19.049 30.150 1.00 0.00 O ATOM 0 H SER A 2 3.294 17.437 26.388 1.00 0.00 H new ATOM 0 HA SER A 2 2.367 16.660 29.087 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.464 17.990 29.260 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.755 19.251 28.271 1.00 0.00 H new ATOM 0 HG SER A 2 3.563 19.700 30.538 1.00 0.00 H new ATOM 19 N SER A 3 0.194 17.333 27.948 1.00 0.00 N ATOM 20 CA SER A 3 -1.121 17.850 27.587 1.00 0.00 C ATOM 21 C SER A 3 -1.127 18.362 26.150 1.00 0.00 C ATOM 22 O SER A 3 -1.690 19.417 25.858 1.00 0.00 O ATOM 23 CB SER A 3 -1.532 18.971 28.543 1.00 0.00 C ATOM 24 OG SER A 3 -2.867 19.381 28.304 1.00 0.00 O ATOM 0 H SER A 3 0.208 16.339 28.178 1.00 0.00 H new ATOM 0 HA SER A 3 -1.840 17.034 27.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.432 18.629 29.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.860 19.821 28.422 1.00 0.00 H new ATOM 0 HG SER A 3 -2.963 19.651 27.367 1.00 0.00 H new ATOM 30 N GLY A 4 -0.496 17.607 25.256 1.00 0.00 N ATOM 31 CA GLY A 4 -0.439 18.001 23.860 1.00 0.00 C ATOM 32 C GLY A 4 -0.469 16.811 22.921 1.00 0.00 C ATOM 33 O GLY A 4 0.423 15.964 22.953 1.00 0.00 O ATOM 0 H GLY A 4 -0.023 16.730 25.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.280 18.658 23.636 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.470 18.576 23.685 1.00 0.00 H new ATOM 37 N SER A 5 -1.498 16.747 22.082 1.00 0.00 N ATOM 38 CA SER A 5 -1.643 15.649 21.133 1.00 0.00 C ATOM 39 C SER A 5 -1.450 16.140 19.702 1.00 0.00 C ATOM 40 O SER A 5 -2.305 16.832 19.150 1.00 0.00 O ATOM 41 CB SER A 5 -3.020 14.999 21.280 1.00 0.00 C ATOM 42 OG SER A 5 -4.052 15.904 20.927 1.00 0.00 O ATOM 0 H SER A 5 -2.243 17.442 22.040 1.00 0.00 H new ATOM 0 HA SER A 5 -0.874 14.908 21.351 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.077 14.113 20.647 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.160 14.666 22.308 1.00 0.00 H new ATOM 0 HG SER A 5 -3.740 16.490 20.206 1.00 0.00 H new ATOM 48 N SER A 6 -0.319 15.775 19.106 1.00 0.00 N ATOM 49 CA SER A 6 -0.010 16.181 17.740 1.00 0.00 C ATOM 50 C SER A 6 -1.122 15.761 16.784 1.00 0.00 C ATOM 51 O SER A 6 -1.170 14.617 16.333 1.00 0.00 O ATOM 52 CB SER A 6 1.320 15.570 17.292 1.00 0.00 C ATOM 53 OG SER A 6 2.410 16.393 17.667 1.00 0.00 O ATOM 0 H SER A 6 0.398 15.199 19.547 1.00 0.00 H new ATOM 0 HA SER A 6 0.072 17.268 17.720 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.437 14.581 17.735 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.316 15.436 16.210 1.00 0.00 H new ATOM 0 HG SER A 6 3.248 15.980 17.371 1.00 0.00 H new ATOM 59 N GLY A 7 -2.016 16.697 16.478 1.00 0.00 N ATOM 60 CA GLY A 7 -3.117 16.406 15.578 1.00 0.00 C ATOM 61 C GLY A 7 -2.777 16.705 14.131 1.00 0.00 C ATOM 62 O GLY A 7 -1.964 17.584 13.847 1.00 0.00 O ATOM 0 H GLY A 7 -1.997 17.651 16.837 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.393 15.356 15.674 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.988 16.992 15.872 1.00 0.00 H new ATOM 66 N GLU A 8 -3.399 15.970 13.215 1.00 0.00 N ATOM 67 CA GLU A 8 -3.155 16.160 11.790 1.00 0.00 C ATOM 68 C GLU A 8 -4.233 17.041 11.166 1.00 0.00 C ATOM 69 O GLU A 8 -5.324 17.191 11.718 1.00 0.00 O ATOM 70 CB GLU A 8 -3.108 14.809 11.073 1.00 0.00 C ATOM 71 CG GLU A 8 -2.002 13.894 11.571 1.00 0.00 C ATOM 72 CD GLU A 8 -0.632 14.540 11.496 1.00 0.00 C ATOM 73 OE1 GLU A 8 -0.142 14.763 10.369 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.050 14.823 12.564 1.00 0.00 O ATOM 0 H GLU A 8 -4.075 15.238 13.434 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.192 16.658 11.676 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.067 14.307 11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.974 14.979 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.209 13.608 12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.000 12.978 10.981 1.00 0.00 H new ATOM 81 N ASP A 9 -3.920 17.623 10.013 1.00 0.00 N ATOM 82 CA ASP A 9 -4.861 18.489 9.313 1.00 0.00 C ATOM 83 C ASP A 9 -5.746 17.681 8.370 1.00 0.00 C ATOM 84 O ASP A 9 -5.346 16.644 7.840 1.00 0.00 O ATOM 85 CB ASP A 9 -4.109 19.567 8.530 1.00 0.00 C ATOM 86 CG ASP A 9 -3.280 20.463 9.428 1.00 0.00 C ATOM 87 OD1 ASP A 9 -3.850 21.410 10.010 1.00 0.00 O ATOM 88 OD2 ASP A 9 -2.061 20.220 9.548 1.00 0.00 O ATOM 0 H ASP A 9 -3.021 17.510 9.544 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.498 18.969 10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.459 19.091 7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.824 20.175 7.976 1.00 0.00 H new ATOM 93 N PRO A 10 -6.978 18.164 8.155 1.00 0.00 N ATOM 94 CA PRO A 10 -7.946 17.501 7.275 1.00 0.00 C ATOM 95 C PRO A 10 -7.549 17.589 5.805 1.00 0.00 C ATOM 96 O PRO A 10 -8.284 17.141 4.925 1.00 0.00 O ATOM 97 CB PRO A 10 -9.242 18.276 7.526 1.00 0.00 C ATOM 98 CG PRO A 10 -8.797 19.620 7.987 1.00 0.00 C ATOM 99 CD PRO A 10 -7.523 19.394 8.753 1.00 0.00 C ATOM 0 HA PRO A 10 -8.023 16.434 7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.842 18.347 6.619 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.858 17.784 8.278 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.631 20.287 7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.554 20.087 8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.835 20.232 8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.712 19.273 9.820 1.00 0.00 H new ATOM 107 N PHE A 11 -6.381 18.169 5.547 1.00 0.00 N ATOM 108 CA PHE A 11 -5.887 18.317 4.183 1.00 0.00 C ATOM 109 C PHE A 11 -4.592 17.533 3.986 1.00 0.00 C ATOM 110 O PHE A 11 -3.658 18.010 3.342 1.00 0.00 O ATOM 111 CB PHE A 11 -5.656 19.794 3.858 1.00 0.00 C ATOM 112 CG PHE A 11 -6.874 20.486 3.317 1.00 0.00 C ATOM 113 CD1 PHE A 11 -8.078 20.434 4.001 1.00 0.00 C ATOM 114 CD2 PHE A 11 -6.816 21.188 2.124 1.00 0.00 C ATOM 115 CE1 PHE A 11 -9.201 21.069 3.504 1.00 0.00 C ATOM 116 CE2 PHE A 11 -7.935 21.826 1.622 1.00 0.00 C ATOM 117 CZ PHE A 11 -9.129 21.767 2.314 1.00 0.00 C ATOM 0 H PHE A 11 -5.760 18.544 6.264 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.641 17.917 3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.326 20.309 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.848 19.876 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.140 19.891 4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.885 21.237 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.134 21.019 4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.876 22.369 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.005 22.266 1.925 1.00 0.00 H new ATOM 127 N GLN A 12 -4.545 16.329 4.548 1.00 0.00 N ATOM 128 CA GLN A 12 -3.365 15.480 4.435 1.00 0.00 C ATOM 129 C GLN A 12 -3.570 14.400 3.378 1.00 0.00 C ATOM 130 O GLN A 12 -4.695 14.019 3.056 1.00 0.00 O ATOM 131 CB GLN A 12 -3.044 14.835 5.785 1.00 0.00 C ATOM 132 CG GLN A 12 -2.431 15.798 6.789 1.00 0.00 C ATOM 133 CD GLN A 12 -0.966 16.075 6.512 1.00 0.00 C ATOM 134 OE1 GLN A 12 -0.563 16.258 5.363 1.00 0.00 O ATOM 135 NE2 GLN A 12 -0.160 16.106 7.567 1.00 0.00 N ATOM 0 H GLN A 12 -5.309 15.920 5.085 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.526 16.106 4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.959 14.418 6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.358 14.003 5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.984 16.737 6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.536 15.386 7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.537 15.949 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.836 16.287 7.443 1.00 0.00 H new ATOM 144 N PRO A 13 -2.458 13.895 2.825 1.00 0.00 N ATOM 145 CA PRO A 13 -2.490 12.851 1.796 1.00 0.00 C ATOM 146 C PRO A 13 -2.944 11.505 2.349 1.00 0.00 C ATOM 147 O PRO A 13 -2.880 11.266 3.554 1.00 0.00 O ATOM 148 CB PRO A 13 -1.035 12.773 1.325 1.00 0.00 C ATOM 149 CG PRO A 13 -0.235 13.263 2.482 1.00 0.00 C ATOM 150 CD PRO A 13 -1.083 14.302 3.161 1.00 0.00 C ATOM 0 HA PRO A 13 -3.198 13.084 1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.760 11.753 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.871 13.390 0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.004 12.447 3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.712 13.688 2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.919 14.312 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.860 15.304 2.795 1.00 0.00 H new ATOM 158 N GLU A 14 -3.402 10.629 1.460 1.00 0.00 N ATOM 159 CA GLU A 14 -3.867 9.306 1.862 1.00 0.00 C ATOM 160 C GLU A 14 -2.693 8.348 2.040 1.00 0.00 C ATOM 161 O GLU A 14 -2.718 7.220 1.546 1.00 0.00 O ATOM 162 CB GLU A 14 -4.842 8.747 0.824 1.00 0.00 C ATOM 163 CG GLU A 14 -6.208 9.413 0.852 1.00 0.00 C ATOM 164 CD GLU A 14 -7.036 8.995 2.051 1.00 0.00 C ATOM 165 OE1 GLU A 14 -7.131 7.778 2.312 1.00 0.00 O ATOM 166 OE2 GLU A 14 -7.589 9.887 2.729 1.00 0.00 O ATOM 0 H GLU A 14 -3.461 10.811 0.458 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.382 9.405 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.409 8.866 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.965 7.677 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.080 10.495 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.748 9.165 -0.062 1.00 0.00 H new ATOM 173 N ILE A 15 -1.666 8.805 2.749 1.00 0.00 N ATOM 174 CA ILE A 15 -0.483 7.989 2.993 1.00 0.00 C ATOM 175 C ILE A 15 -0.465 7.462 4.424 1.00 0.00 C ATOM 176 O ILE A 15 -1.008 8.087 5.335 1.00 0.00 O ATOM 177 CB ILE A 15 0.811 8.782 2.733 1.00 0.00 C ATOM 178 CG1 ILE A 15 0.810 9.352 1.314 1.00 0.00 C ATOM 179 CG2 ILE A 15 2.028 7.896 2.953 1.00 0.00 C ATOM 180 CD1 ILE A 15 1.929 10.337 1.057 1.00 0.00 C ATOM 0 H ILE A 15 -1.629 9.736 3.164 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.530 7.149 2.300 1.00 0.00 H new ATOM 0 HB ILE A 15 0.858 9.613 3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.889 8.531 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.145 9.844 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.935 8.471 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.034 7.534 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.988 7.047 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.866 10.700 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.839 11.177 1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.889 9.844 1.209 1.00 0.00 H new ATOM 192 N LYS A 16 0.165 6.308 4.615 1.00 0.00 N ATOM 193 CA LYS A 16 0.259 5.696 5.935 1.00 0.00 C ATOM 194 C LYS A 16 1.684 5.235 6.222 1.00 0.00 C ATOM 195 O LYS A 16 2.248 5.546 7.271 1.00 0.00 O ATOM 196 CB LYS A 16 -0.703 4.510 6.039 1.00 0.00 C ATOM 197 CG LYS A 16 -0.567 3.729 7.335 1.00 0.00 C ATOM 198 CD LYS A 16 -1.399 4.347 8.448 1.00 0.00 C ATOM 199 CE LYS A 16 -1.017 3.783 9.808 1.00 0.00 C ATOM 200 NZ LYS A 16 0.235 4.396 10.331 1.00 0.00 N ATOM 0 H LYS A 16 0.619 5.777 3.871 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.017 6.446 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.726 4.874 5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.529 3.837 5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.881 2.698 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.480 3.700 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.261 5.428 8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.456 4.161 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.829 3.957 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.888 2.703 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.461 3.985 11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.016 4.209 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.104 5.423 10.430 1.00 0.00 H new ATOM 214 N VAL A 17 2.262 4.494 5.282 1.00 0.00 N ATOM 215 CA VAL A 17 3.623 3.993 5.433 1.00 0.00 C ATOM 216 C VAL A 17 3.691 2.896 6.490 1.00 0.00 C ATOM 217 O VAL A 17 4.509 2.954 7.408 1.00 0.00 O ATOM 218 CB VAL A 17 4.597 5.122 5.818 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.037 4.681 5.603 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.292 6.382 5.023 1.00 0.00 C ATOM 0 H VAL A 17 1.809 4.227 4.408 1.00 0.00 H new ATOM 0 HA VAL A 17 3.918 3.582 4.467 1.00 0.00 H new ATOM 0 HB VAL A 17 4.466 5.347 6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.711 5.492 5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.246 3.808 6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.187 4.427 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.990 7.170 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.394 6.174 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.273 6.707 5.233 1.00 0.00 H new ATOM 230 N ARG A 18 2.825 1.897 6.354 1.00 0.00 N ATOM 231 CA ARG A 18 2.786 0.786 7.298 1.00 0.00 C ATOM 232 C ARG A 18 3.763 -0.311 6.886 1.00 0.00 C ATOM 233 O ARG A 18 3.468 -1.500 7.016 1.00 0.00 O ATOM 234 CB ARG A 18 1.369 0.216 7.388 1.00 0.00 C ATOM 235 CG ARG A 18 0.539 0.822 8.508 1.00 0.00 C ATOM 236 CD ARG A 18 1.093 0.453 9.875 1.00 0.00 C ATOM 237 NE ARG A 18 1.136 -0.992 10.076 1.00 0.00 N ATOM 238 CZ ARG A 18 1.094 -1.569 11.272 1.00 0.00 C ATOM 239 NH1 ARG A 18 1.008 -0.827 12.368 1.00 0.00 N ATOM 240 NH2 ARG A 18 1.137 -2.892 11.374 1.00 0.00 N ATOM 0 H ARG A 18 2.141 1.834 5.600 1.00 0.00 H new ATOM 0 HA ARG A 18 3.082 1.162 8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.859 0.381 6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.429 -0.862 7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.521 1.907 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.491 0.476 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.097 0.864 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.478 0.909 10.651 1.00 0.00 H new ATOM 0 HE ARG A 18 1.202 -1.592 9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.974 0.190 12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.976 -1.273 13.285 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.202 -3.466 10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.105 -3.334 12.293 1.00 0.00 H new ATOM 254 N CYS A 19 4.926 0.095 6.389 1.00 0.00 N ATOM 255 CA CYS A 19 5.946 -0.853 5.957 1.00 0.00 C ATOM 256 C CYS A 19 6.203 -1.903 7.033 1.00 0.00 C ATOM 257 O CYS A 19 5.576 -1.889 8.093 1.00 0.00 O ATOM 258 CB CYS A 19 7.246 -0.118 5.625 1.00 0.00 C ATOM 259 SG CYS A 19 8.242 -0.918 4.326 1.00 0.00 S ATOM 0 H CYS A 19 5.186 1.075 6.275 1.00 0.00 H new ATOM 0 HA CYS A 19 5.582 -1.357 5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.006 0.898 5.310 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.847 -0.038 6.531 1.00 0.00 H new ATOM 264 N VAL A 20 7.131 -2.814 6.754 1.00 0.00 N ATOM 265 CA VAL A 20 7.472 -3.871 7.698 1.00 0.00 C ATOM 266 C VAL A 20 8.724 -3.515 8.493 1.00 0.00 C ATOM 267 O VAL A 20 8.847 -3.864 9.667 1.00 0.00 O ATOM 268 CB VAL A 20 7.699 -5.214 6.978 1.00 0.00 C ATOM 269 CG1 VAL A 20 6.395 -5.734 6.393 1.00 0.00 C ATOM 270 CG2 VAL A 20 8.758 -5.066 5.896 1.00 0.00 C ATOM 0 H VAL A 20 7.659 -2.841 5.882 1.00 0.00 H new ATOM 0 HA VAL A 20 6.628 -3.971 8.380 1.00 0.00 H new ATOM 0 HB VAL A 20 8.057 -5.941 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.575 -6.683 5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.670 -5.881 7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.004 -5.011 5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.906 -6.024 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.432 -4.324 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.696 -4.743 6.347 1.00 0.00 H new ATOM 280 N CYS A 21 9.651 -2.818 7.845 1.00 0.00 N ATOM 281 CA CYS A 21 10.894 -2.414 8.490 1.00 0.00 C ATOM 282 C CYS A 21 10.615 -1.693 9.806 1.00 0.00 C ATOM 283 O CYS A 21 11.443 -1.696 10.715 1.00 0.00 O ATOM 284 CB CYS A 21 11.703 -1.506 7.561 1.00 0.00 C ATOM 285 SG CYS A 21 10.872 0.059 7.140 1.00 0.00 S ATOM 0 H CYS A 21 9.565 -2.521 6.873 1.00 0.00 H new ATOM 0 HA CYS A 21 11.472 -3.313 8.704 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.659 -1.281 8.033 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.921 -2.048 6.641 1.00 0.00 H new ATOM 290 N GLY A 22 9.440 -1.076 9.899 1.00 0.00 N ATOM 291 CA GLY A 22 9.072 -0.360 11.106 1.00 0.00 C ATOM 292 C GLY A 22 9.099 1.144 10.919 1.00 0.00 C ATOM 293 O GLY A 22 8.373 1.873 11.593 1.00 0.00 O ATOM 0 H GLY A 22 8.737 -1.060 9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.073 -0.667 11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.754 -0.635 11.910 1.00 0.00 H new ATOM 297 N ASN A 23 9.941 1.610 10.002 1.00 0.00 N ATOM 298 CA ASN A 23 10.062 3.037 9.731 1.00 0.00 C ATOM 299 C ASN A 23 8.835 3.555 8.986 1.00 0.00 C ATOM 300 O ASN A 23 8.231 2.837 8.189 1.00 0.00 O ATOM 301 CB ASN A 23 11.324 3.317 8.913 1.00 0.00 C ATOM 302 CG ASN A 23 11.907 4.687 9.200 1.00 0.00 C ATOM 303 OD1 ASN A 23 11.152 5.731 8.879 1.00 0.00 O flip ATOM 304 ND2 ASN A 23 13.024 4.805 9.706 1.00 0.00 N flip ATOM 0 H ASN A 23 10.549 1.020 9.434 1.00 0.00 H new ATOM 0 HA ASN A 23 10.133 3.558 10.686 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.072 2.554 9.131 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.090 3.240 7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.570 3.975 9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.403 5.733 9.894 1.00 0.00 H new ATOM 311 N SER A 24 8.472 4.806 9.252 1.00 0.00 N ATOM 312 CA SER A 24 7.315 5.419 8.610 1.00 0.00 C ATOM 313 C SER A 24 7.737 6.607 7.750 1.00 0.00 C ATOM 314 O SER A 24 7.111 7.667 7.784 1.00 0.00 O ATOM 315 CB SER A 24 6.302 5.873 9.663 1.00 0.00 C ATOM 316 OG SER A 24 5.881 4.784 10.467 1.00 0.00 O ATOM 0 H SER A 24 8.962 5.415 9.907 1.00 0.00 H new ATOM 0 HA SER A 24 6.850 4.673 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.747 6.643 10.293 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.439 6.322 9.172 1.00 0.00 H new ATOM 0 HG SER A 24 5.235 5.100 11.133 1.00 0.00 H new ATOM 322 N LEU A 25 8.803 6.421 6.979 1.00 0.00 N ATOM 323 CA LEU A 25 9.311 7.476 6.109 1.00 0.00 C ATOM 324 C LEU A 25 8.955 7.198 4.652 1.00 0.00 C ATOM 325 O LEU A 25 8.620 6.071 4.289 1.00 0.00 O ATOM 326 CB LEU A 25 10.828 7.602 6.259 1.00 0.00 C ATOM 327 CG LEU A 25 11.655 6.427 5.736 1.00 0.00 C ATOM 328 CD1 LEU A 25 11.853 6.541 4.233 1.00 0.00 C ATOM 329 CD2 LEU A 25 12.997 6.360 6.449 1.00 0.00 C ATOM 0 H LEU A 25 9.332 5.550 6.939 1.00 0.00 H new ATOM 0 HA LEU A 25 8.843 8.415 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.150 8.506 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.058 7.740 7.315 1.00 0.00 H new ATOM 0 HG LEU A 25 11.111 5.505 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.444 5.696 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.882 6.539 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.375 7.470 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.572 5.518 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.548 7.285 6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.834 6.229 7.519 1.00 0.00 H new ATOM 341 N GLU A 26 9.031 8.234 3.822 1.00 0.00 N ATOM 342 CA GLU A 26 8.717 8.100 2.404 1.00 0.00 C ATOM 343 C GLU A 26 9.990 7.941 1.578 1.00 0.00 C ATOM 344 O GLU A 26 11.021 8.542 1.881 1.00 0.00 O ATOM 345 CB GLU A 26 7.929 9.317 1.916 1.00 0.00 C ATOM 346 CG GLU A 26 6.473 9.314 2.352 1.00 0.00 C ATOM 347 CD GLU A 26 5.570 8.598 1.366 1.00 0.00 C ATOM 348 OE1 GLU A 26 5.713 8.836 0.149 1.00 0.00 O ATOM 349 OE2 GLU A 26 4.721 7.799 1.813 1.00 0.00 O ATOM 0 H GLU A 26 9.307 9.174 4.107 1.00 0.00 H new ATOM 0 HA GLU A 26 8.107 7.206 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.409 10.223 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.974 9.356 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.391 8.835 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.131 10.342 2.471 1.00 0.00 H new ATOM 356 N THR A 27 9.911 7.125 0.531 1.00 0.00 N ATOM 357 CA THR A 27 11.055 6.884 -0.338 1.00 0.00 C ATOM 358 C THR A 27 10.775 7.355 -1.761 1.00 0.00 C ATOM 359 O THR A 27 9.679 7.828 -2.063 1.00 0.00 O ATOM 360 CB THR A 27 11.432 5.391 -0.370 1.00 0.00 C ATOM 361 OG1 THR A 27 10.308 4.610 -0.792 1.00 0.00 O ATOM 362 CG2 THR A 27 11.896 4.921 1.001 1.00 0.00 C ATOM 0 H THR A 27 9.066 6.620 0.265 1.00 0.00 H new ATOM 0 HA THR A 27 11.888 7.454 0.073 1.00 0.00 H new ATOM 0 HB THR A 27 12.250 5.261 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.347 4.477 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.157 3.864 0.954 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.769 5.497 1.307 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.095 5.065 1.726 1.00 0.00 H new ATOM 370 N ASP A 28 11.770 7.224 -2.630 1.00 0.00 N ATOM 371 CA ASP A 28 11.629 7.635 -4.022 1.00 0.00 C ATOM 372 C ASP A 28 10.346 7.075 -4.627 1.00 0.00 C ATOM 373 O ASP A 28 9.635 7.770 -5.353 1.00 0.00 O ATOM 374 CB ASP A 28 12.837 7.171 -4.838 1.00 0.00 C ATOM 375 CG ASP A 28 12.596 7.263 -6.332 1.00 0.00 C ATOM 376 OD1 ASP A 28 11.961 6.343 -6.889 1.00 0.00 O ATOM 377 OD2 ASP A 28 13.043 8.256 -6.944 1.00 0.00 O ATOM 0 H ASP A 28 12.684 6.836 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 28 11.578 8.723 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.704 7.777 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.076 6.141 -4.574 1.00 0.00 H new ATOM 382 N SER A 29 10.056 5.814 -4.324 1.00 0.00 N ATOM 383 CA SER A 29 8.861 5.158 -4.841 1.00 0.00 C ATOM 384 C SER A 29 8.353 4.103 -3.864 1.00 0.00 C ATOM 385 O SER A 29 9.134 3.480 -3.146 1.00 0.00 O ATOM 386 CB SER A 29 9.153 4.514 -6.198 1.00 0.00 C ATOM 387 OG SER A 29 9.296 5.497 -7.209 1.00 0.00 O ATOM 0 H SER A 29 10.633 5.226 -3.723 1.00 0.00 H new ATOM 0 HA SER A 29 8.087 5.915 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.064 3.919 -6.133 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.345 3.832 -6.462 1.00 0.00 H new ATOM 0 HG SER A 29 10.205 5.863 -7.183 1.00 0.00 H new ATOM 393 N MET A 30 7.038 3.910 -3.842 1.00 0.00 N ATOM 394 CA MET A 30 6.425 2.929 -2.953 1.00 0.00 C ATOM 395 C MET A 30 5.213 2.280 -3.614 1.00 0.00 C ATOM 396 O MET A 30 4.642 2.827 -4.558 1.00 0.00 O ATOM 397 CB MET A 30 6.010 3.591 -1.638 1.00 0.00 C ATOM 398 CG MET A 30 7.157 3.765 -0.656 1.00 0.00 C ATOM 399 SD MET A 30 6.650 3.515 1.056 1.00 0.00 S ATOM 400 CE MET A 30 6.521 5.210 1.621 1.00 0.00 C ATOM 0 H MET A 30 6.377 4.419 -4.429 1.00 0.00 H new ATOM 0 HA MET A 30 7.162 2.153 -2.744 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.576 4.567 -1.854 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.229 2.992 -1.170 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.951 3.060 -0.902 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.574 4.766 -0.765 1.00 0.00 H new ATOM 0 HE1 MET A 30 7.085 5.329 2.546 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.925 5.879 0.861 1.00 0.00 H new ATOM 0 HE3 MET A 30 5.474 5.455 1.800 1.00 0.00 H new ATOM 410 N ILE A 31 4.827 1.111 -3.112 1.00 0.00 N ATOM 411 CA ILE A 31 3.683 0.389 -3.654 1.00 0.00 C ATOM 412 C ILE A 31 2.496 0.443 -2.699 1.00 0.00 C ATOM 413 O ILE A 31 2.637 0.185 -1.504 1.00 0.00 O ATOM 414 CB ILE A 31 4.031 -1.084 -3.939 1.00 0.00 C ATOM 415 CG1 ILE A 31 4.661 -1.730 -2.704 1.00 0.00 C ATOM 416 CG2 ILE A 31 4.968 -1.185 -5.133 1.00 0.00 C ATOM 417 CD1 ILE A 31 4.946 -3.206 -2.873 1.00 0.00 C ATOM 0 H ILE A 31 5.290 0.645 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 31 3.416 0.879 -4.590 1.00 0.00 H new ATOM 0 HB ILE A 31 3.112 -1.620 -4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.591 -1.213 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.995 -1.592 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.205 -2.232 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.485 -0.758 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.887 -0.638 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.392 -3.597 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.015 -3.735 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.636 -3.350 -3.704 1.00 0.00 H new ATOM 429 N GLN A 32 1.327 0.779 -3.234 1.00 0.00 N ATOM 430 CA GLN A 32 0.114 0.866 -2.429 1.00 0.00 C ATOM 431 C GLN A 32 -0.610 -0.475 -2.389 1.00 0.00 C ATOM 432 O GLN A 32 -0.553 -1.252 -3.342 1.00 0.00 O ATOM 433 CB GLN A 32 -0.816 1.946 -2.984 1.00 0.00 C ATOM 434 CG GLN A 32 -2.040 2.198 -2.119 1.00 0.00 C ATOM 435 CD GLN A 32 -2.843 3.399 -2.579 1.00 0.00 C ATOM 436 OE1 GLN A 32 -3.088 3.576 -3.773 1.00 0.00 O ATOM 437 NE2 GLN A 32 -3.257 4.233 -1.632 1.00 0.00 N ATOM 0 H GLN A 32 1.194 0.996 -4.222 1.00 0.00 H new ATOM 0 HA GLN A 32 0.402 1.133 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.257 2.876 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.141 1.656 -3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.677 1.314 -2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.725 2.350 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.031 4.048 -0.655 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.801 5.059 -1.882 1.00 0.00 H new ATOM 446 N CYS A 33 -1.290 -0.742 -1.279 1.00 0.00 N ATOM 447 CA CYS A 33 -2.026 -1.990 -1.113 1.00 0.00 C ATOM 448 C CYS A 33 -3.315 -1.973 -1.928 1.00 0.00 C ATOM 449 O CYS A 33 -4.198 -1.149 -1.694 1.00 0.00 O ATOM 450 CB CYS A 33 -2.346 -2.224 0.365 1.00 0.00 C ATOM 451 SG CYS A 33 -2.798 -3.944 0.763 1.00 0.00 S ATOM 0 H CYS A 33 -1.347 -0.110 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.399 -2.805 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.480 -1.939 0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.165 -1.567 0.657 1.00 0.00 H new ATOM 456 N GLU A 34 -3.415 -2.890 -2.886 1.00 0.00 N ATOM 457 CA GLU A 34 -4.597 -2.981 -3.736 1.00 0.00 C ATOM 458 C GLU A 34 -5.870 -2.767 -2.922 1.00 0.00 C ATOM 459 O GLU A 34 -6.834 -2.172 -3.404 1.00 0.00 O ATOM 460 CB GLU A 34 -4.647 -4.341 -4.434 1.00 0.00 C ATOM 461 CG GLU A 34 -3.824 -4.402 -5.710 1.00 0.00 C ATOM 462 CD GLU A 34 -4.323 -3.442 -6.772 1.00 0.00 C ATOM 463 OE1 GLU A 34 -3.920 -2.261 -6.741 1.00 0.00 O ATOM 464 OE2 GLU A 34 -5.117 -3.872 -7.635 1.00 0.00 O ATOM 0 H GLU A 34 -2.692 -3.580 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.532 -2.196 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.290 -5.107 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.684 -4.581 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.784 -4.173 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.847 -5.418 -6.104 1.00 0.00 H new ATOM 471 N ASP A 35 -5.865 -3.257 -1.687 1.00 0.00 N ATOM 472 CA ASP A 35 -7.019 -3.119 -0.806 1.00 0.00 C ATOM 473 C ASP A 35 -7.390 -1.651 -0.622 1.00 0.00 C ATOM 474 O ASP A 35 -6.534 -0.789 -0.426 1.00 0.00 O ATOM 475 CB ASP A 35 -6.728 -3.759 0.553 1.00 0.00 C ATOM 476 CG ASP A 35 -7.979 -4.304 1.215 1.00 0.00 C ATOM 477 OD1 ASP A 35 -8.741 -5.026 0.540 1.00 0.00 O ATOM 478 OD2 ASP A 35 -8.194 -4.008 2.409 1.00 0.00 O ATOM 0 H ASP A 35 -5.075 -3.753 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.862 -3.632 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.007 -4.566 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.266 -3.020 1.208 1.00 0.00 H new ATOM 483 N PRO A 36 -8.697 -1.358 -0.687 1.00 0.00 N ATOM 484 CA PRO A 36 -9.212 0.005 -0.530 1.00 0.00 C ATOM 485 C PRO A 36 -9.068 0.519 0.898 1.00 0.00 C ATOM 486 O PRO A 36 -8.543 1.609 1.126 1.00 0.00 O ATOM 487 CB PRO A 36 -10.690 -0.129 -0.904 1.00 0.00 C ATOM 488 CG PRO A 36 -11.024 -1.553 -0.625 1.00 0.00 C ATOM 489 CD PRO A 36 -9.774 -2.336 -0.918 1.00 0.00 C ATOM 0 HA PRO A 36 -8.666 0.720 -1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.310 0.546 -0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.857 0.119 -1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.334 -1.685 0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.851 -1.890 -1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.679 -3.201 -0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.765 -2.710 -1.942 1.00 0.00 H new ATOM 497 N ARG A 37 -9.537 -0.273 1.857 1.00 0.00 N ATOM 498 CA ARG A 37 -9.461 0.102 3.264 1.00 0.00 C ATOM 499 C ARG A 37 -8.009 0.215 3.719 1.00 0.00 C ATOM 500 O ARG A 37 -7.656 1.106 4.491 1.00 0.00 O ATOM 501 CB ARG A 37 -10.199 -0.922 4.128 1.00 0.00 C ATOM 502 CG ARG A 37 -9.741 -2.353 3.902 1.00 0.00 C ATOM 503 CD ARG A 37 -10.595 -3.341 4.680 1.00 0.00 C ATOM 504 NE ARG A 37 -10.360 -4.719 4.257 1.00 0.00 N ATOM 505 CZ ARG A 37 -9.345 -5.458 4.691 1.00 0.00 C ATOM 506 NH1 ARG A 37 -8.476 -4.954 5.556 1.00 0.00 N ATOM 507 NH2 ARG A 37 -9.198 -6.705 4.260 1.00 0.00 N ATOM 0 H ARG A 37 -9.974 -1.179 1.685 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.937 1.076 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.059 -0.666 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.267 -0.855 3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.789 -2.588 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.699 -2.455 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.380 -3.247 5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.648 -3.095 4.545 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.011 -5.137 3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.586 -3.997 5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.698 -5.524 5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.865 -7.097 3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.418 -7.271 4.594 1.00 0.00 H new ATOM 521 N CYS A 38 -7.170 -0.696 3.235 1.00 0.00 N ATOM 522 CA CYS A 38 -5.757 -0.701 3.591 1.00 0.00 C ATOM 523 C CYS A 38 -5.031 0.481 2.955 1.00 0.00 C ATOM 524 O CYS A 38 -4.632 1.422 3.643 1.00 0.00 O ATOM 525 CB CYS A 38 -5.103 -2.012 3.150 1.00 0.00 C ATOM 526 SG CYS A 38 -3.696 -2.526 4.187 1.00 0.00 S ATOM 0 H CYS A 38 -7.446 -1.441 2.595 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.681 -0.611 4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.855 -2.801 3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.762 -1.907 2.120 1.00 0.00 H new ATOM 531 N HIS A 39 -4.864 0.426 1.638 1.00 0.00 N ATOM 532 CA HIS A 39 -4.187 1.493 0.908 1.00 0.00 C ATOM 533 C HIS A 39 -2.924 1.935 1.640 1.00 0.00 C ATOM 534 O HIS A 39 -2.656 3.130 1.771 1.00 0.00 O ATOM 535 CB HIS A 39 -5.125 2.685 0.719 1.00 0.00 C ATOM 536 CG HIS A 39 -5.947 2.608 -0.532 1.00 0.00 C ATOM 537 ND1 HIS A 39 -7.093 3.350 -0.726 1.00 0.00 N ATOM 538 CD2 HIS A 39 -5.781 1.873 -1.656 1.00 0.00 C ATOM 539 CE1 HIS A 39 -7.598 3.073 -1.914 1.00 0.00 C ATOM 540 NE2 HIS A 39 -6.820 2.180 -2.500 1.00 0.00 N ATOM 0 H HIS A 39 -5.188 -0.345 1.054 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.902 1.106 -0.070 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.792 2.752 1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.535 3.602 0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.981 1.175 -1.853 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.495 3.503 -2.335 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.967 1.783 -3.428 1.00 0.00 H new ATOM 549 N VAL A 40 -2.151 0.965 2.117 1.00 0.00 N ATOM 550 CA VAL A 40 -0.916 1.254 2.835 1.00 0.00 C ATOM 551 C VAL A 40 0.275 1.302 1.885 1.00 0.00 C ATOM 552 O VAL A 40 0.286 0.632 0.853 1.00 0.00 O ATOM 553 CB VAL A 40 -0.644 0.204 3.929 1.00 0.00 C ATOM 554 CG1 VAL A 40 -1.781 0.177 4.938 1.00 0.00 C ATOM 555 CG2 VAL A 40 -0.437 -1.169 3.309 1.00 0.00 C ATOM 0 H VAL A 40 -2.359 -0.029 2.019 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.043 2.231 3.302 1.00 0.00 H new ATOM 0 HB VAL A 40 0.269 0.481 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.571 -0.571 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.876 1.157 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.712 -0.075 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.246 -1.899 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.331 -1.457 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.415 -1.137 2.630 1.00 0.00 H new ATOM 565 N TRP A 41 1.277 2.099 2.240 1.00 0.00 N ATOM 566 CA TRP A 41 2.474 2.234 1.418 1.00 0.00 C ATOM 567 C TRP A 41 3.637 1.453 2.019 1.00 0.00 C ATOM 568 O TRP A 41 3.956 1.605 3.198 1.00 0.00 O ATOM 569 CB TRP A 41 2.854 3.708 1.274 1.00 0.00 C ATOM 570 CG TRP A 41 1.843 4.511 0.513 1.00 0.00 C ATOM 571 CD1 TRP A 41 0.759 5.164 1.028 1.00 0.00 C ATOM 572 CD2 TRP A 41 1.820 4.744 -0.899 1.00 0.00 C ATOM 573 NE1 TRP A 41 0.064 5.788 0.021 1.00 0.00 N ATOM 574 CE2 TRP A 41 0.694 5.547 -1.171 1.00 0.00 C ATOM 575 CE3 TRP A 41 2.641 4.354 -1.961 1.00 0.00 C ATOM 576 CZ2 TRP A 41 0.372 5.964 -2.459 1.00 0.00 C ATOM 577 CZ3 TRP A 41 2.319 4.769 -3.239 1.00 0.00 C ATOM 578 CH2 TRP A 41 1.193 5.568 -3.479 1.00 0.00 C ATOM 0 H TRP A 41 1.284 2.661 3.091 1.00 0.00 H new ATOM 0 HA TRP A 41 2.256 1.824 0.432 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.980 4.142 2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.818 3.780 0.770 1.00 0.00 H new ATOM 0 HD1 TRP A 41 0.488 5.186 2.073 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -0.784 6.341 0.141 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.511 3.739 -1.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.496 6.579 -2.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.946 4.473 -4.067 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.969 5.877 -4.489 1.00 0.00 H new ATOM 589 N GLN A 42 4.268 0.616 1.201 1.00 0.00 N ATOM 590 CA GLN A 42 5.396 -0.189 1.653 1.00 0.00 C ATOM 591 C GLN A 42 6.618 0.041 0.770 1.00 0.00 C ATOM 592 O GLN A 42 6.561 -0.140 -0.447 1.00 0.00 O ATOM 593 CB GLN A 42 5.024 -1.673 1.652 1.00 0.00 C ATOM 594 CG GLN A 42 3.940 -2.028 2.656 1.00 0.00 C ATOM 595 CD GLN A 42 3.951 -3.497 3.031 1.00 0.00 C ATOM 596 OE1 GLN A 42 4.036 -4.370 2.167 1.00 0.00 O ATOM 597 NE2 GLN A 42 3.864 -3.779 4.326 1.00 0.00 N ATOM 0 H GLN A 42 4.017 0.478 0.222 1.00 0.00 H new ATOM 0 HA GLN A 42 5.643 0.116 2.670 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.689 -1.955 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.915 -2.263 1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.072 -1.426 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.966 -1.770 2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.795 -3.024 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.866 -4.750 4.638 1.00 0.00 H new ATOM 606 N HIS A 43 7.723 0.442 1.390 1.00 0.00 N ATOM 607 CA HIS A 43 8.960 0.697 0.660 1.00 0.00 C ATOM 608 C HIS A 43 9.203 -0.382 -0.391 1.00 0.00 C ATOM 609 O HIS A 43 8.959 -1.564 -0.150 1.00 0.00 O ATOM 610 CB HIS A 43 10.144 0.760 1.626 1.00 0.00 C ATOM 611 CG HIS A 43 10.137 1.974 2.503 1.00 0.00 C ATOM 612 ND1 HIS A 43 10.411 1.928 3.853 1.00 0.00 N ATOM 613 CD2 HIS A 43 9.888 3.273 2.215 1.00 0.00 C ATOM 614 CE1 HIS A 43 10.330 3.146 4.358 1.00 0.00 C ATOM 615 NE2 HIS A 43 10.015 3.981 3.385 1.00 0.00 N ATOM 0 H HIS A 43 7.787 0.597 2.396 1.00 0.00 H new ATOM 0 HA HIS A 43 8.862 1.657 0.154 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.138 -0.131 2.253 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.071 0.741 1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.636 3.677 1.246 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.494 3.413 5.391 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.887 4.988 3.486 1.00 0.00 H new ATOM 623 N VAL A 44 9.685 0.033 -1.558 1.00 0.00 N ATOM 624 CA VAL A 44 9.961 -0.898 -2.646 1.00 0.00 C ATOM 625 C VAL A 44 11.124 -1.819 -2.299 1.00 0.00 C ATOM 626 O VAL A 44 11.083 -3.018 -2.571 1.00 0.00 O ATOM 627 CB VAL A 44 10.284 -0.152 -3.954 1.00 0.00 C ATOM 628 CG1 VAL A 44 10.641 -1.137 -5.057 1.00 0.00 C ATOM 629 CG2 VAL A 44 9.112 0.725 -4.371 1.00 0.00 C ATOM 0 H VAL A 44 9.893 1.008 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 44 9.060 -1.494 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 44 11.147 0.491 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.866 -0.591 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.513 -1.718 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.800 -1.808 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.358 1.245 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.230 0.104 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.908 1.456 -3.588 1.00 0.00 H new ATOM 639 N GLY A 45 12.163 -1.250 -1.694 1.00 0.00 N ATOM 640 CA GLY A 45 13.324 -2.036 -1.318 1.00 0.00 C ATOM 641 C GLY A 45 13.194 -2.636 0.068 1.00 0.00 C ATOM 642 O GLY A 45 14.179 -2.748 0.799 1.00 0.00 O ATOM 0 H GLY A 45 12.221 -0.259 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.468 -2.836 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.213 -1.406 -1.356 1.00 0.00 H new ATOM 646 N CYS A 46 11.976 -3.023 0.432 1.00 0.00 N ATOM 647 CA CYS A 46 11.719 -3.613 1.740 1.00 0.00 C ATOM 648 C CYS A 46 11.002 -4.953 1.600 1.00 0.00 C ATOM 649 O CYS A 46 11.404 -5.950 2.198 1.00 0.00 O ATOM 650 CB CYS A 46 10.883 -2.661 2.597 1.00 0.00 C ATOM 651 SG CYS A 46 11.870 -1.500 3.596 1.00 0.00 S ATOM 0 H CYS A 46 11.151 -2.938 -0.161 1.00 0.00 H new ATOM 0 HA CYS A 46 12.678 -3.783 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.220 -2.091 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.250 -3.249 3.262 1.00 0.00 H new ATOM 656 N VAL A 47 9.936 -4.967 0.806 1.00 0.00 N ATOM 657 CA VAL A 47 9.162 -6.183 0.587 1.00 0.00 C ATOM 658 C VAL A 47 9.399 -6.740 -0.812 1.00 0.00 C ATOM 659 O VAL A 47 9.520 -7.952 -0.997 1.00 0.00 O ATOM 660 CB VAL A 47 7.654 -5.932 0.779 1.00 0.00 C ATOM 661 CG1 VAL A 47 7.363 -5.493 2.206 1.00 0.00 C ATOM 662 CG2 VAL A 47 7.157 -4.896 -0.218 1.00 0.00 C ATOM 0 H VAL A 47 9.589 -4.150 0.304 1.00 0.00 H new ATOM 0 HA VAL A 47 9.498 -6.910 1.327 1.00 0.00 H new ATOM 0 HB VAL A 47 7.121 -6.865 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.293 -5.320 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.683 -6.272 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.905 -4.572 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.090 -4.730 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.694 -3.960 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.330 -5.255 -1.233 1.00 0.00 H new ATOM 672 N ILE A 48 9.465 -5.848 -1.795 1.00 0.00 N ATOM 673 CA ILE A 48 9.690 -6.251 -3.178 1.00 0.00 C ATOM 674 C ILE A 48 11.139 -6.671 -3.399 1.00 0.00 C ATOM 675 O ILE A 48 12.068 -5.989 -2.967 1.00 0.00 O ATOM 676 CB ILE A 48 9.341 -5.116 -4.158 1.00 0.00 C ATOM 677 CG1 ILE A 48 7.923 -4.605 -3.897 1.00 0.00 C ATOM 678 CG2 ILE A 48 9.480 -5.596 -5.595 1.00 0.00 C ATOM 679 CD1 ILE A 48 6.852 -5.648 -4.129 1.00 0.00 C ATOM 0 H ILE A 48 9.366 -4.842 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 48 9.035 -7.101 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 48 10.038 -4.293 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.857 -4.251 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.730 -3.748 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.230 -4.783 -6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.506 -5.917 -5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.803 -6.433 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.873 -5.215 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.891 -5.985 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.020 -6.496 -3.465 1.00 0.00 H new ATOM 691 N LEU A 49 11.325 -7.799 -4.077 1.00 0.00 N ATOM 692 CA LEU A 49 12.662 -8.310 -4.359 1.00 0.00 C ATOM 693 C LEU A 49 13.541 -7.227 -4.974 1.00 0.00 C ATOM 694 O LEU A 49 13.324 -6.782 -6.102 1.00 0.00 O ATOM 695 CB LEU A 49 12.581 -9.513 -5.301 1.00 0.00 C ATOM 696 CG LEU A 49 12.108 -10.825 -4.675 1.00 0.00 C ATOM 697 CD1 LEU A 49 10.598 -10.963 -4.801 1.00 0.00 C ATOM 698 CD2 LEU A 49 12.809 -12.009 -5.325 1.00 0.00 C ATOM 0 H LEU A 49 10.567 -8.377 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 49 13.110 -8.623 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.909 -9.262 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.567 -9.676 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 49 12.364 -10.813 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.280 -11.903 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.113 -10.132 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.318 -10.953 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.460 -12.935 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.584 -12.024 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.886 -11.917 -5.183 1.00 0.00 H new ATOM 710 N PRO A 50 14.560 -6.791 -4.218 1.00 0.00 N ATOM 711 CA PRO A 50 15.495 -5.756 -4.669 1.00 0.00 C ATOM 712 C PRO A 50 16.407 -6.247 -5.788 1.00 0.00 C ATOM 713 O PRO A 50 16.769 -7.422 -5.836 1.00 0.00 O ATOM 714 CB PRO A 50 16.311 -5.443 -3.412 1.00 0.00 C ATOM 715 CG PRO A 50 16.232 -6.683 -2.591 1.00 0.00 C ATOM 716 CD PRO A 50 14.878 -7.276 -2.864 1.00 0.00 C ATOM 0 HA PRO A 50 14.977 -4.891 -5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.344 -5.198 -3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.901 -4.587 -2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 50 17.025 -7.381 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.353 -6.458 -1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.900 -8.365 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.139 -6.944 -2.134 1.00 0.00 H new ATOM 724 N ASP A 51 16.774 -5.339 -6.686 1.00 0.00 N ATOM 725 CA ASP A 51 17.646 -5.680 -7.805 1.00 0.00 C ATOM 726 C ASP A 51 19.016 -5.030 -7.643 1.00 0.00 C ATOM 727 O ASP A 51 19.204 -3.860 -7.978 1.00 0.00 O ATOM 728 CB ASP A 51 17.012 -5.241 -9.125 1.00 0.00 C ATOM 729 CG ASP A 51 15.616 -5.803 -9.313 1.00 0.00 C ATOM 730 OD1 ASP A 51 14.770 -5.604 -8.416 1.00 0.00 O ATOM 731 OD2 ASP A 51 15.370 -6.443 -10.357 1.00 0.00 O ATOM 0 H ASP A 51 16.482 -4.362 -6.661 1.00 0.00 H new ATOM 0 HA ASP A 51 17.776 -6.762 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.970 -4.152 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 51 17.644 -5.562 -9.953 1.00 0.00 H new ATOM 736 N LYS A 52 19.972 -5.795 -7.127 1.00 0.00 N ATOM 737 CA LYS A 52 21.326 -5.295 -6.920 1.00 0.00 C ATOM 738 C LYS A 52 21.835 -4.575 -8.164 1.00 0.00 C ATOM 739 O LYS A 52 22.247 -3.415 -8.115 1.00 0.00 O ATOM 740 CB LYS A 52 22.268 -6.446 -6.563 1.00 0.00 C ATOM 741 CG LYS A 52 23.718 -6.182 -6.929 1.00 0.00 C ATOM 742 CD LYS A 52 24.566 -7.434 -6.786 1.00 0.00 C ATOM 743 CE LYS A 52 24.626 -7.906 -5.341 1.00 0.00 C ATOM 744 NZ LYS A 52 25.373 -6.950 -4.477 1.00 0.00 N ATOM 0 H LYS A 52 19.834 -6.765 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 52 21.302 -4.584 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 52 22.202 -6.640 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 52 21.933 -7.350 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.775 -5.818 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 52 24.118 -5.395 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.155 -8.226 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 52 25.575 -7.234 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.613 -8.029 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.104 -8.885 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.539 -7.381 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.286 -6.721 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.817 -6.079 -4.361 1.00 0.00 H new ATOM 758 N PRO A 53 21.807 -5.275 -9.308 1.00 0.00 N ATOM 759 CA PRO A 53 22.261 -4.721 -10.587 1.00 0.00 C ATOM 760 C PRO A 53 21.326 -3.637 -11.113 1.00 0.00 C ATOM 761 O PRO A 53 21.719 -2.813 -11.938 1.00 0.00 O ATOM 762 CB PRO A 53 22.253 -5.933 -11.521 1.00 0.00 C ATOM 763 CG PRO A 53 21.251 -6.862 -10.928 1.00 0.00 C ATOM 764 CD PRO A 53 21.329 -6.662 -9.440 1.00 0.00 C ATOM 0 HA PRO A 53 23.235 -4.239 -10.500 1.00 0.00 H new ATOM 0 HB2 PRO A 53 21.977 -5.648 -12.536 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.238 -6.396 -11.577 1.00 0.00 H new ATOM 0 HG2 PRO A 53 20.250 -6.644 -11.299 1.00 0.00 H new ATOM 0 HG3 PRO A 53 21.472 -7.896 -11.195 1.00 0.00 H new ATOM 0 HD2 PRO A 53 20.358 -6.800 -8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 53 22.015 -7.370 -8.975 1.00 0.00 H new ATOM 772 N MET A 54 20.088 -3.644 -10.631 1.00 0.00 N ATOM 773 CA MET A 54 19.098 -2.660 -11.052 1.00 0.00 C ATOM 774 C MET A 54 18.848 -2.749 -12.554 1.00 0.00 C ATOM 775 O MET A 54 18.798 -1.732 -13.246 1.00 0.00 O ATOM 776 CB MET A 54 19.561 -1.249 -10.683 1.00 0.00 C ATOM 777 CG MET A 54 19.160 -0.826 -9.279 1.00 0.00 C ATOM 778 SD MET A 54 20.373 -1.308 -8.035 1.00 0.00 S ATOM 779 CE MET A 54 19.333 -1.440 -6.583 1.00 0.00 C ATOM 0 H MET A 54 19.746 -4.320 -9.948 1.00 0.00 H new ATOM 0 HA MET A 54 18.164 -2.876 -10.533 1.00 0.00 H new ATOM 0 HB2 MET A 54 20.646 -1.196 -10.774 1.00 0.00 H new ATOM 0 HB3 MET A 54 19.146 -0.540 -11.400 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.029 0.256 -9.253 1.00 0.00 H new ATOM 0 HG3 MET A 54 18.196 -1.270 -9.032 1.00 0.00 H new ATOM 0 HE1 MET A 54 19.713 -2.228 -5.933 1.00 0.00 H new ATOM 0 HE2 MET A 54 19.338 -0.492 -6.045 1.00 0.00 H new ATOM 0 HE3 MET A 54 18.314 -1.680 -6.886 1.00 0.00 H new ATOM 789 N ASP A 55 18.693 -3.970 -13.052 1.00 0.00 N ATOM 790 CA ASP A 55 18.447 -4.192 -14.473 1.00 0.00 C ATOM 791 C ASP A 55 16.957 -4.098 -14.788 1.00 0.00 C ATOM 792 O ASP A 55 16.427 -4.888 -15.567 1.00 0.00 O ATOM 793 CB ASP A 55 18.986 -5.558 -14.898 1.00 0.00 C ATOM 794 CG ASP A 55 18.337 -6.699 -14.139 1.00 0.00 C ATOM 795 OD1 ASP A 55 17.256 -7.157 -14.565 1.00 0.00 O ATOM 796 OD2 ASP A 55 18.911 -7.134 -13.119 1.00 0.00 O ATOM 0 H ASP A 55 18.733 -4.822 -12.493 1.00 0.00 H new ATOM 0 HA ASP A 55 18.968 -3.415 -15.033 1.00 0.00 H new ATOM 0 HB2 ASP A 55 18.819 -5.695 -15.966 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.064 -5.586 -14.738 1.00 0.00 H new ATOM 801 N GLY A 56 16.288 -3.126 -14.175 1.00 0.00 N ATOM 802 CA GLY A 56 14.866 -2.948 -14.403 1.00 0.00 C ATOM 803 C GLY A 56 14.069 -4.201 -14.101 1.00 0.00 C ATOM 804 O GLY A 56 13.820 -4.523 -12.940 1.00 0.00 O ATOM 0 H GLY A 56 16.705 -2.459 -13.525 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.501 -2.130 -13.781 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.701 -2.658 -15.441 1.00 0.00 H new ATOM 808 N ASN A 57 13.666 -4.911 -15.150 1.00 0.00 N ATOM 809 CA ASN A 57 12.890 -6.136 -14.993 1.00 0.00 C ATOM 810 C ASN A 57 13.581 -7.097 -14.030 1.00 0.00 C ATOM 811 O ASN A 57 14.801 -7.077 -13.863 1.00 0.00 O ATOM 812 CB ASN A 57 12.686 -6.813 -16.349 1.00 0.00 C ATOM 813 CG ASN A 57 13.887 -6.654 -17.262 1.00 0.00 C ATOM 814 OD1 ASN A 57 15.011 -6.461 -16.799 1.00 0.00 O ATOM 815 ND2 ASN A 57 13.653 -6.734 -18.566 1.00 0.00 N ATOM 0 H ASN A 57 13.864 -4.659 -16.118 1.00 0.00 H new ATOM 0 HA ASN A 57 11.918 -5.870 -14.578 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.487 -7.874 -16.196 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.806 -6.391 -16.834 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.422 -6.634 -19.229 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.705 -6.895 -18.905 1.00 0.00 H new ATOM 822 N PRO A 58 12.785 -7.960 -13.382 1.00 0.00 N ATOM 823 CA PRO A 58 11.332 -7.993 -13.573 1.00 0.00 C ATOM 824 C PRO A 58 10.642 -6.765 -12.987 1.00 0.00 C ATOM 825 O PRO A 58 11.048 -6.228 -11.956 1.00 0.00 O ATOM 826 CB PRO A 58 10.903 -9.256 -12.822 1.00 0.00 C ATOM 827 CG PRO A 58 11.962 -9.463 -11.795 1.00 0.00 C ATOM 828 CD PRO A 58 13.241 -8.971 -12.413 1.00 0.00 C ATOM 0 HA PRO A 58 11.060 -7.995 -14.629 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.924 -9.129 -12.361 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.831 -10.111 -13.494 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.733 -8.913 -10.882 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.040 -10.515 -11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.908 -8.540 -11.667 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.788 -9.778 -12.901 1.00 0.00 H new ATOM 836 N PRO A 59 9.574 -6.309 -13.658 1.00 0.00 N ATOM 837 CA PRO A 59 8.806 -5.140 -13.221 1.00 0.00 C ATOM 838 C PRO A 59 8.013 -5.410 -11.947 1.00 0.00 C ATOM 839 O PRO A 59 8.056 -6.513 -11.399 1.00 0.00 O ATOM 840 CB PRO A 59 7.859 -4.879 -14.395 1.00 0.00 C ATOM 841 CG PRO A 59 7.714 -6.201 -15.066 1.00 0.00 C ATOM 842 CD PRO A 59 9.034 -6.899 -14.894 1.00 0.00 C ATOM 0 HA PRO A 59 9.451 -4.295 -12.980 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.896 -4.502 -14.051 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.268 -4.132 -15.076 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.906 -6.779 -14.619 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.472 -6.078 -16.122 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.909 -7.978 -14.803 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.694 -6.725 -15.744 1.00 0.00 H new ATOM 850 N LEU A 60 7.289 -4.399 -11.480 1.00 0.00 N ATOM 851 CA LEU A 60 6.485 -4.528 -10.270 1.00 0.00 C ATOM 852 C LEU A 60 5.184 -5.271 -10.557 1.00 0.00 C ATOM 853 O LEU A 60 4.651 -5.233 -11.666 1.00 0.00 O ATOM 854 CB LEU A 60 6.179 -3.147 -9.687 1.00 0.00 C ATOM 855 CG LEU A 60 7.380 -2.362 -9.158 1.00 0.00 C ATOM 856 CD1 LEU A 60 7.019 -0.895 -8.975 1.00 0.00 C ATOM 857 CD2 LEU A 60 7.872 -2.959 -7.848 1.00 0.00 C ATOM 0 H LEU A 60 7.242 -3.481 -11.921 1.00 0.00 H new ATOM 0 HA LEU A 60 7.058 -5.104 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.690 -2.550 -10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.463 -3.268 -8.874 1.00 0.00 H new ATOM 0 HG LEU A 60 8.185 -2.429 -9.890 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.885 -0.351 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.714 -0.473 -9.933 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.198 -0.808 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.727 -2.388 -7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.072 -2.923 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.170 -3.995 -8.009 1.00 0.00 H new ATOM 869 N PRO A 61 4.658 -5.961 -9.534 1.00 0.00 N ATOM 870 CA PRO A 61 3.411 -6.723 -9.652 1.00 0.00 C ATOM 871 C PRO A 61 2.191 -5.820 -9.798 1.00 0.00 C ATOM 872 O PRO A 61 2.181 -4.692 -9.306 1.00 0.00 O ATOM 873 CB PRO A 61 3.346 -7.501 -8.335 1.00 0.00 C ATOM 874 CG PRO A 61 4.145 -6.689 -7.375 1.00 0.00 C ATOM 875 CD PRO A 61 5.239 -6.050 -8.184 1.00 0.00 C ATOM 0 HA PRO A 61 3.403 -7.357 -10.539 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.317 -7.617 -7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.760 -8.503 -8.446 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.525 -5.934 -6.892 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.559 -7.315 -6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.504 -5.067 -7.795 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.148 -6.652 -8.177 1.00 0.00 H new ATOM 883 N GLU A 62 1.165 -6.324 -10.476 1.00 0.00 N ATOM 884 CA GLU A 62 -0.060 -5.561 -10.686 1.00 0.00 C ATOM 885 C GLU A 62 -0.886 -5.494 -9.405 1.00 0.00 C ATOM 886 O GLU A 62 -1.327 -4.421 -8.993 1.00 0.00 O ATOM 887 CB GLU A 62 -0.890 -6.186 -11.809 1.00 0.00 C ATOM 888 CG GLU A 62 -2.134 -5.388 -12.163 1.00 0.00 C ATOM 889 CD GLU A 62 -2.810 -5.890 -13.424 1.00 0.00 C ATOM 890 OE1 GLU A 62 -2.130 -6.541 -14.244 1.00 0.00 O ATOM 891 OE2 GLU A 62 -4.021 -5.633 -13.589 1.00 0.00 O ATOM 0 H GLU A 62 1.157 -7.257 -10.889 1.00 0.00 H new ATOM 0 HA GLU A 62 0.219 -4.547 -10.971 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.267 -6.285 -12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.186 -7.193 -11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.840 -5.435 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.864 -4.340 -12.293 1.00 0.00 H new ATOM 898 N SER A 63 -1.091 -6.649 -8.779 1.00 0.00 N ATOM 899 CA SER A 63 -1.868 -6.723 -7.547 1.00 0.00 C ATOM 900 C SER A 63 -0.983 -7.123 -6.371 1.00 0.00 C ATOM 901 O SER A 63 -0.657 -8.297 -6.195 1.00 0.00 O ATOM 902 CB SER A 63 -3.014 -7.725 -7.701 1.00 0.00 C ATOM 903 OG SER A 63 -4.102 -7.151 -8.405 1.00 0.00 O ATOM 0 H SER A 63 -0.730 -7.546 -9.105 1.00 0.00 H new ATOM 0 HA SER A 63 -2.283 -5.735 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.660 -8.609 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.347 -8.055 -6.717 1.00 0.00 H new ATOM 0 HG SER A 63 -4.821 -7.812 -8.492 1.00 0.00 H new ATOM 909 N PHE A 64 -0.597 -6.137 -5.567 1.00 0.00 N ATOM 910 CA PHE A 64 0.251 -6.384 -4.407 1.00 0.00 C ATOM 911 C PHE A 64 -0.567 -6.361 -3.120 1.00 0.00 C ATOM 912 O PHE A 64 -1.684 -5.844 -3.090 1.00 0.00 O ATOM 913 CB PHE A 64 1.368 -5.340 -4.333 1.00 0.00 C ATOM 914 CG PHE A 64 2.163 -5.402 -3.061 1.00 0.00 C ATOM 915 CD1 PHE A 64 3.229 -6.279 -2.936 1.00 0.00 C ATOM 916 CD2 PHE A 64 1.845 -4.584 -1.989 1.00 0.00 C ATOM 917 CE1 PHE A 64 3.963 -6.338 -1.767 1.00 0.00 C ATOM 918 CE2 PHE A 64 2.576 -4.638 -0.817 1.00 0.00 C ATOM 919 CZ PHE A 64 3.635 -5.517 -0.705 1.00 0.00 C ATOM 0 H PHE A 64 -0.858 -5.160 -5.698 1.00 0.00 H new ATOM 0 HA PHE A 64 0.694 -7.374 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.041 -5.479 -5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.932 -4.346 -4.432 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.489 -6.924 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.016 -3.896 -2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.792 -7.025 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.319 -3.993 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.206 -5.563 0.211 1.00 0.00 H new ATOM 929 N TYR A 65 -0.004 -6.927 -2.058 1.00 0.00 N ATOM 930 CA TYR A 65 -0.683 -6.975 -0.768 1.00 0.00 C ATOM 931 C TYR A 65 0.322 -6.906 0.379 1.00 0.00 C ATOM 932 O TYR A 65 1.209 -7.751 0.494 1.00 0.00 O ATOM 933 CB TYR A 65 -1.516 -8.252 -0.653 1.00 0.00 C ATOM 934 CG TYR A 65 -2.886 -8.139 -1.283 1.00 0.00 C ATOM 935 CD1 TYR A 65 -3.730 -7.080 -0.972 1.00 0.00 C ATOM 936 CD2 TYR A 65 -3.337 -9.091 -2.188 1.00 0.00 C ATOM 937 CE1 TYR A 65 -4.983 -6.973 -1.544 1.00 0.00 C ATOM 938 CE2 TYR A 65 -4.588 -8.992 -2.767 1.00 0.00 C ATOM 939 CZ TYR A 65 -5.407 -7.931 -2.441 1.00 0.00 C ATOM 940 OH TYR A 65 -6.654 -7.829 -3.014 1.00 0.00 O ATOM 0 H TYR A 65 0.920 -7.359 -2.065 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.344 -6.111 -0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.975 -9.073 -1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.630 -8.508 0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.401 -6.327 -0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.699 -9.924 -2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.627 -6.144 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.922 -9.741 -3.470 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.797 -8.583 -3.623 1.00 0.00 H new ATOM 950 N CYS A 66 0.175 -5.892 1.225 1.00 0.00 N ATOM 951 CA CYS A 66 1.067 -5.709 2.363 1.00 0.00 C ATOM 952 C CYS A 66 1.158 -6.987 3.193 1.00 0.00 C ATOM 953 O CYS A 66 0.605 -8.021 2.820 1.00 0.00 O ATOM 954 CB CYS A 66 0.581 -4.553 3.239 1.00 0.00 C ATOM 955 SG CYS A 66 -0.942 -4.916 4.172 1.00 0.00 S ATOM 0 H CYS A 66 -0.554 -5.184 1.143 1.00 0.00 H new ATOM 0 HA CYS A 66 2.060 -5.473 1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.370 -4.287 3.942 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.409 -3.681 2.608 1.00 0.00 H new ATOM 960 N GLU A 67 1.860 -6.906 4.319 1.00 0.00 N ATOM 961 CA GLU A 67 2.024 -8.056 5.201 1.00 0.00 C ATOM 962 C GLU A 67 0.732 -8.348 5.959 1.00 0.00 C ATOM 963 O GLU A 67 0.479 -9.485 6.357 1.00 0.00 O ATOM 964 CB GLU A 67 3.164 -7.809 6.190 1.00 0.00 C ATOM 965 CG GLU A 67 2.855 -6.735 7.220 1.00 0.00 C ATOM 966 CD GLU A 67 3.610 -6.938 8.519 1.00 0.00 C ATOM 967 OE1 GLU A 67 3.470 -8.021 9.124 1.00 0.00 O ATOM 968 OE2 GLU A 67 4.341 -6.013 8.930 1.00 0.00 O ATOM 0 H GLU A 67 2.324 -6.057 4.642 1.00 0.00 H new ATOM 0 HA GLU A 67 2.268 -8.922 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.393 -8.741 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.058 -7.523 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.106 -5.758 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.784 -6.729 7.424 1.00 0.00 H new ATOM 975 N ILE A 68 -0.079 -7.315 6.154 1.00 0.00 N ATOM 976 CA ILE A 68 -1.344 -7.461 6.863 1.00 0.00 C ATOM 977 C ILE A 68 -2.380 -8.174 6.000 1.00 0.00 C ATOM 978 O ILE A 68 -3.202 -8.940 6.502 1.00 0.00 O ATOM 979 CB ILE A 68 -1.908 -6.095 7.297 1.00 0.00 C ATOM 980 CG1 ILE A 68 -0.886 -5.347 8.155 1.00 0.00 C ATOM 981 CG2 ILE A 68 -3.213 -6.277 8.056 1.00 0.00 C ATOM 982 CD1 ILE A 68 0.033 -4.448 7.357 1.00 0.00 C ATOM 0 H ILE A 68 0.117 -6.367 5.831 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.140 -8.060 7.751 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.110 -5.502 6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.415 -4.747 8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.285 -6.072 8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.599 -5.303 8.356 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.941 -6.774 7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.036 -6.886 8.943 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.730 -3.950 8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.590 -5.046 6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.558 -3.700 6.829 1.00 0.00 H new ATOM 994 N CYS A 69 -2.333 -7.917 4.697 1.00 0.00 N ATOM 995 CA CYS A 69 -3.265 -8.535 3.761 1.00 0.00 C ATOM 996 C CYS A 69 -2.788 -9.927 3.357 1.00 0.00 C ATOM 997 O CYS A 69 -3.516 -10.910 3.502 1.00 0.00 O ATOM 998 CB CYS A 69 -3.428 -7.659 2.518 1.00 0.00 C ATOM 999 SG CYS A 69 -4.470 -6.187 2.776 1.00 0.00 S ATOM 0 H CYS A 69 -1.659 -7.285 4.265 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.230 -8.631 4.258 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.442 -7.338 2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.859 -8.260 1.717 1.00 0.00 H new ATOM 1004 N ARG A 70 -1.562 -10.003 2.851 1.00 0.00 N ATOM 1005 CA ARG A 70 -0.988 -11.273 2.425 1.00 0.00 C ATOM 1006 C ARG A 70 -1.199 -12.348 3.487 1.00 0.00 C ATOM 1007 O ARG A 70 -1.344 -13.530 3.170 1.00 0.00 O ATOM 1008 CB ARG A 70 0.506 -11.112 2.138 1.00 0.00 C ATOM 1009 CG ARG A 70 1.352 -10.942 3.389 1.00 0.00 C ATOM 1010 CD ARG A 70 1.846 -12.281 3.913 1.00 0.00 C ATOM 1011 NE ARG A 70 2.918 -12.830 3.087 1.00 0.00 N ATOM 1012 CZ ARG A 70 3.413 -14.053 3.243 1.00 0.00 C ATOM 1013 NH1 ARG A 70 2.935 -14.849 4.189 1.00 0.00 N ATOM 1014 NH2 ARG A 70 4.387 -14.482 2.451 1.00 0.00 N ATOM 0 H ARG A 70 -0.947 -9.199 2.726 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.495 -11.583 1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.858 -11.985 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.652 -10.247 1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.204 -10.299 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.767 -10.442 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.202 -12.161 4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.016 -12.986 3.945 1.00 0.00 H new ATOM 0 HE ARG A 70 3.308 -12.242 2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.185 -14.523 4.799 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.317 -15.788 4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.757 -13.873 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.766 -15.421 2.572 1.00 0.00 H new ATOM 1028 N LEU A 71 -1.215 -11.931 4.749 1.00 0.00 N ATOM 1029 CA LEU A 71 -1.408 -12.858 5.859 1.00 0.00 C ATOM 1030 C LEU A 71 -2.856 -13.334 5.925 1.00 0.00 C ATOM 1031 O LEU A 71 -3.125 -14.499 6.221 1.00 0.00 O ATOM 1032 CB LEU A 71 -1.017 -12.192 7.179 1.00 0.00 C ATOM 1033 CG LEU A 71 -2.134 -11.449 7.913 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -2.915 -12.404 8.803 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -1.563 -10.301 8.731 1.00 0.00 C ATOM 0 H LEU A 71 -1.097 -10.957 5.029 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.768 -13.724 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.619 -12.957 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.208 -11.488 6.982 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.817 -11.035 7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.706 -11.858 9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.356 -13.192 8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.243 -12.848 9.538 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.372 -9.784 9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.857 -10.692 9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.049 -9.603 8.070 1.00 0.00 H new ATOM 1047 N THR A 72 -3.785 -12.426 5.646 1.00 0.00 N ATOM 1048 CA THR A 72 -5.206 -12.752 5.673 1.00 0.00 C ATOM 1049 C THR A 72 -5.584 -13.657 4.506 1.00 0.00 C ATOM 1050 O THR A 72 -5.998 -13.183 3.449 1.00 0.00 O ATOM 1051 CB THR A 72 -6.075 -11.482 5.625 1.00 0.00 C ATOM 1052 OG1 THR A 72 -5.803 -10.747 4.427 1.00 0.00 O ATOM 1053 CG2 THR A 72 -5.813 -10.601 6.837 1.00 0.00 C ATOM 0 H THR A 72 -3.579 -11.458 5.398 1.00 0.00 H new ATOM 0 HA THR A 72 -5.392 -13.275 6.611 1.00 0.00 H new ATOM 0 HB THR A 72 -7.122 -11.785 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.150 -11.236 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.438 -9.710 6.781 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.049 -11.154 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.763 -10.307 6.853 1.00 0.00 H new ATOM 1061 N SER A 73 -5.439 -14.964 4.705 1.00 0.00 N ATOM 1062 CA SER A 73 -5.763 -15.936 3.667 1.00 0.00 C ATOM 1063 C SER A 73 -7.237 -15.848 3.282 1.00 0.00 C ATOM 1064 O SER A 73 -7.574 -15.537 2.141 1.00 0.00 O ATOM 1065 CB SER A 73 -5.432 -17.351 4.144 1.00 0.00 C ATOM 1066 OG SER A 73 -5.764 -18.312 3.157 1.00 0.00 O ATOM 0 H SER A 73 -5.099 -15.374 5.575 1.00 0.00 H new ATOM 0 HA SER A 73 -5.162 -15.707 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.370 -17.420 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.978 -17.565 5.063 1.00 0.00 H new ATOM 0 HG SER A 73 -5.541 -19.208 3.485 1.00 0.00 H new ATOM 1072 N GLY A 74 -8.111 -16.126 4.245 1.00 0.00 N ATOM 1073 CA GLY A 74 -9.538 -16.073 3.987 1.00 0.00 C ATOM 1074 C GLY A 74 -10.157 -14.757 4.416 1.00 0.00 C ATOM 1075 O GLY A 74 -10.024 -14.329 5.562 1.00 0.00 O ATOM 0 H GLY A 74 -7.857 -16.387 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.717 -16.225 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.030 -16.891 4.514 1.00 0.00 H new ATOM 1079 N PRO A 75 -10.849 -14.092 3.479 1.00 0.00 N ATOM 1080 CA PRO A 75 -11.503 -12.807 3.743 1.00 0.00 C ATOM 1081 C PRO A 75 -12.704 -12.946 4.671 1.00 0.00 C ATOM 1082 O PRO A 75 -13.407 -11.973 4.943 1.00 0.00 O ATOM 1083 CB PRO A 75 -11.952 -12.346 2.353 1.00 0.00 C ATOM 1084 CG PRO A 75 -12.097 -13.603 1.566 1.00 0.00 C ATOM 1085 CD PRO A 75 -11.048 -14.544 2.092 1.00 0.00 C ATOM 0 HA PRO A 75 -10.836 -12.107 4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.893 -11.799 2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.218 -11.678 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.095 -14.025 1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.955 -13.416 0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.382 -15.581 2.051 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.126 -14.483 1.513 1.00 0.00 H new ATOM 1093 N SER A 76 -12.933 -14.163 5.156 1.00 0.00 N ATOM 1094 CA SER A 76 -14.052 -14.430 6.052 1.00 0.00 C ATOM 1095 C SER A 76 -14.333 -13.225 6.945 1.00 0.00 C ATOM 1096 O SER A 76 -13.413 -12.533 7.380 1.00 0.00 O ATOM 1097 CB SER A 76 -13.760 -15.660 6.914 1.00 0.00 C ATOM 1098 OG SER A 76 -14.955 -16.341 7.253 1.00 0.00 O ATOM 0 H SER A 76 -12.359 -14.979 4.943 1.00 0.00 H new ATOM 0 HA SER A 76 -14.935 -14.623 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.093 -16.335 6.377 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.241 -15.356 7.823 1.00 0.00 H new ATOM 0 HG SER A 76 -14.741 -17.124 7.802 1.00 0.00 H new ATOM 1104 N SER A 77 -15.612 -12.981 7.212 1.00 0.00 N ATOM 1105 CA SER A 77 -16.017 -11.857 8.049 1.00 0.00 C ATOM 1106 C SER A 77 -17.492 -11.964 8.426 1.00 0.00 C ATOM 1107 O SER A 77 -18.353 -12.135 7.564 1.00 0.00 O ATOM 1108 CB SER A 77 -15.758 -10.535 7.324 1.00 0.00 C ATOM 1109 OG SER A 77 -15.723 -9.452 8.237 1.00 0.00 O ATOM 0 H SER A 77 -16.385 -13.546 6.861 1.00 0.00 H new ATOM 0 HA SER A 77 -15.424 -11.884 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.812 -10.591 6.785 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.538 -10.364 6.582 1.00 0.00 H new ATOM 0 HG SER A 77 -15.554 -8.619 7.750 1.00 0.00 H new ATOM 1115 N GLY A 78 -17.774 -11.861 9.721 1.00 0.00 N ATOM 1116 CA GLY A 78 -19.145 -11.948 10.190 1.00 0.00 C ATOM 1117 C GLY A 78 -19.509 -13.343 10.661 1.00 0.00 C ATOM 1118 O GLY A 78 -19.802 -13.519 11.842 1.00 0.00 O ATOM 0 H GLY A 78 -17.078 -11.719 10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -19.292 -11.242 11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -19.820 -11.651 9.387 1.00 0.00 H new TER 1122 GLY A 78 HETATM 1123 ZN ZN A 201 10.407 -0.216 4.878 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -2.917 -4.417 3.043 1.00 0.00 ZN