USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -35:sc= 1.22 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.0952 K(o=1.3,f=-1.6) USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 26:sc= 0.459 USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.00247 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.783 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 15 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.27) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0813) USER MOD Single : A 18 GLN : amide:sc= -0.018 K(o=-0.018,f=-0.71) USER MOD Single : A 31 GLN : amide:sc= -0.102 K(o=-0.1,f=-3.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc=-0.00463 (180deg=-0.0746) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.838 K(o=-0.84,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -19:sc= 1.2 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00649) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.782 -14.308 -7.149 1.00 0.00 N ATOM 2 CA GLY A 1 34.960 -15.731 -6.929 1.00 0.00 C ATOM 3 C GLY A 1 36.390 -16.179 -7.158 1.00 0.00 C ATOM 4 O GLY A 1 37.333 -15.506 -6.740 1.00 0.00 O ATOM 0 H1 GLY A 1 34.090 -13.935 -6.468 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.692 -13.820 -7.021 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.436 -14.147 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.664 -15.978 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.298 -16.284 -7.595 1.00 0.00 H new ATOM 8 N SER A 2 36.553 -17.318 -7.823 1.00 0.00 N ATOM 9 CA SER A 2 37.879 -17.857 -8.103 1.00 0.00 C ATOM 10 C SER A 2 37.913 -18.532 -9.471 1.00 0.00 C ATOM 11 O SER A 2 37.275 -19.563 -9.683 1.00 0.00 O ATOM 12 CB SER A 2 38.285 -18.857 -7.018 1.00 0.00 C ATOM 13 OG SER A 2 37.395 -19.959 -6.981 1.00 0.00 O ATOM 0 H SER A 2 35.783 -17.886 -8.178 1.00 0.00 H new ATOM 0 HA SER A 2 38.588 -17.029 -8.108 1.00 0.00 H new ATOM 0 HB2 SER A 2 39.299 -19.211 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 38.295 -18.361 -6.047 1.00 0.00 H new ATOM 0 HG SER A 2 37.133 -20.198 -7.894 1.00 0.00 H new ATOM 19 N SER A 3 38.663 -17.942 -10.396 1.00 0.00 N ATOM 20 CA SER A 3 38.779 -18.483 -11.745 1.00 0.00 C ATOM 21 C SER A 3 40.184 -18.265 -12.299 1.00 0.00 C ATOM 22 O SER A 3 40.936 -17.427 -11.803 1.00 0.00 O ATOM 23 CB SER A 3 37.748 -17.832 -12.669 1.00 0.00 C ATOM 24 OG SER A 3 37.941 -16.430 -12.741 1.00 0.00 O ATOM 0 H SER A 3 39.199 -17.089 -10.236 1.00 0.00 H new ATOM 0 HA SER A 3 38.588 -19.555 -11.697 1.00 0.00 H new ATOM 0 HB2 SER A 3 37.825 -18.264 -13.667 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.743 -18.046 -12.305 1.00 0.00 H new ATOM 0 HG SER A 3 37.271 -16.038 -13.339 1.00 0.00 H new ATOM 30 N GLY A 4 40.531 -19.027 -13.332 1.00 0.00 N ATOM 31 CA GLY A 4 41.844 -18.903 -13.937 1.00 0.00 C ATOM 32 C GLY A 4 42.149 -17.485 -14.376 1.00 0.00 C ATOM 33 O GLY A 4 43.238 -16.969 -14.123 1.00 0.00 O ATOM 0 H GLY A 4 39.926 -19.728 -13.760 1.00 0.00 H new ATOM 0 HA2 GLY A 4 42.601 -19.230 -13.224 1.00 0.00 H new ATOM 0 HA3 GLY A 4 41.908 -19.568 -14.798 1.00 0.00 H new ATOM 37 N SER A 5 41.185 -16.852 -15.038 1.00 0.00 N ATOM 38 CA SER A 5 41.357 -15.486 -15.518 1.00 0.00 C ATOM 39 C SER A 5 41.498 -14.513 -14.352 1.00 0.00 C ATOM 40 O SER A 5 40.570 -14.334 -13.563 1.00 0.00 O ATOM 41 CB SER A 5 40.172 -15.079 -16.397 1.00 0.00 C ATOM 42 OG SER A 5 38.952 -15.174 -15.683 1.00 0.00 O ATOM 0 H SER A 5 40.277 -17.264 -15.254 1.00 0.00 H new ATOM 0 HA SER A 5 42.271 -15.448 -16.111 1.00 0.00 H new ATOM 0 HB2 SER A 5 40.311 -14.058 -16.751 1.00 0.00 H new ATOM 0 HB3 SER A 5 40.132 -15.719 -17.278 1.00 0.00 H new ATOM 0 HG SER A 5 39.125 -15.067 -14.724 1.00 0.00 H new ATOM 48 N SER A 6 42.666 -13.887 -14.249 1.00 0.00 N ATOM 49 CA SER A 6 42.931 -12.935 -13.177 1.00 0.00 C ATOM 50 C SER A 6 42.472 -11.534 -13.569 1.00 0.00 C ATOM 51 O SER A 6 42.721 -11.076 -14.683 1.00 0.00 O ATOM 52 CB SER A 6 44.423 -12.919 -12.838 1.00 0.00 C ATOM 53 OG SER A 6 45.167 -12.247 -13.839 1.00 0.00 O ATOM 0 H SER A 6 43.444 -14.022 -14.895 1.00 0.00 H new ATOM 0 HA SER A 6 42.369 -13.250 -12.298 1.00 0.00 H new ATOM 0 HB2 SER A 6 44.575 -12.428 -11.877 1.00 0.00 H new ATOM 0 HB3 SER A 6 44.787 -13.941 -12.735 1.00 0.00 H new ATOM 0 HG SER A 6 46.117 -12.249 -13.598 1.00 0.00 H new ATOM 59 N GLY A 7 41.800 -10.857 -12.642 1.00 0.00 N ATOM 60 CA GLY A 7 41.316 -9.515 -12.909 1.00 0.00 C ATOM 61 C GLY A 7 39.836 -9.487 -13.235 1.00 0.00 C ATOM 62 O GLY A 7 39.095 -8.655 -12.713 1.00 0.00 O ATOM 0 H GLY A 7 41.582 -11.214 -11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 7 41.506 -8.884 -12.041 1.00 0.00 H new ATOM 0 HA3 GLY A 7 41.876 -9.089 -13.741 1.00 0.00 H new ATOM 66 N MET A 8 39.405 -10.397 -14.102 1.00 0.00 N ATOM 67 CA MET A 8 38.003 -10.472 -14.498 1.00 0.00 C ATOM 68 C MET A 8 37.320 -11.673 -13.853 1.00 0.00 C ATOM 69 O MET A 8 37.977 -12.530 -13.262 1.00 0.00 O ATOM 70 CB MET A 8 37.885 -10.560 -16.021 1.00 0.00 C ATOM 71 CG MET A 8 38.409 -9.330 -16.743 1.00 0.00 C ATOM 72 SD MET A 8 38.721 -9.632 -18.493 1.00 0.00 S ATOM 73 CE MET A 8 38.389 -8.013 -19.181 1.00 0.00 C ATOM 0 H MET A 8 40.006 -11.093 -14.544 1.00 0.00 H new ATOM 0 HA MET A 8 37.505 -9.565 -14.154 1.00 0.00 H new ATOM 0 HB2 MET A 8 38.432 -11.436 -16.370 1.00 0.00 H new ATOM 0 HB3 MET A 8 36.839 -10.710 -16.288 1.00 0.00 H new ATOM 0 HG2 MET A 8 37.688 -8.519 -16.641 1.00 0.00 H new ATOM 0 HG3 MET A 8 39.331 -8.998 -16.265 1.00 0.00 H new ATOM 0 HE1 MET A 8 38.539 -8.038 -20.260 1.00 0.00 H new ATOM 0 HE2 MET A 8 37.359 -7.730 -18.965 1.00 0.00 H new ATOM 0 HE3 MET A 8 39.066 -7.283 -18.737 1.00 0.00 H new ATOM 83 N ALA A 9 35.997 -11.729 -13.970 1.00 0.00 N ATOM 84 CA ALA A 9 35.226 -12.827 -13.399 1.00 0.00 C ATOM 85 C ALA A 9 34.145 -13.299 -14.366 1.00 0.00 C ATOM 86 O ALA A 9 33.530 -12.494 -15.065 1.00 0.00 O ATOM 87 CB ALA A 9 34.604 -12.403 -12.076 1.00 0.00 C ATOM 0 H ALA A 9 35.437 -11.027 -14.455 1.00 0.00 H new ATOM 0 HA ALA A 9 35.905 -13.660 -13.218 1.00 0.00 H new ATOM 0 HB1 ALA A 9 34.031 -13.232 -11.661 1.00 0.00 H new ATOM 0 HB2 ALA A 9 35.392 -12.120 -11.378 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.943 -11.552 -12.241 1.00 0.00 H new ATOM 93 N SER A 10 33.920 -14.609 -14.400 1.00 0.00 N ATOM 94 CA SER A 10 32.917 -15.188 -15.286 1.00 0.00 C ATOM 95 C SER A 10 31.593 -14.438 -15.172 1.00 0.00 C ATOM 96 O SER A 10 31.091 -13.890 -16.152 1.00 0.00 O ATOM 97 CB SER A 10 32.707 -16.667 -14.954 1.00 0.00 C ATOM 98 OG SER A 10 33.638 -17.482 -15.647 1.00 0.00 O ATOM 0 H SER A 10 34.418 -15.288 -13.825 1.00 0.00 H new ATOM 0 HA SER A 10 33.278 -15.099 -16.311 1.00 0.00 H new ATOM 0 HB2 SER A 10 32.813 -16.821 -13.880 1.00 0.00 H new ATOM 0 HB3 SER A 10 31.692 -16.962 -15.220 1.00 0.00 H new ATOM 0 HG SER A 10 33.485 -18.422 -15.417 1.00 0.00 H new ATOM 104 N GLY A 11 31.033 -14.418 -13.966 1.00 0.00 N ATOM 105 CA GLY A 11 29.773 -13.732 -13.745 1.00 0.00 C ATOM 106 C GLY A 11 28.762 -14.598 -13.020 1.00 0.00 C ATOM 107 O GLY A 11 27.736 -14.972 -13.589 1.00 0.00 O ATOM 0 H GLY A 11 31.429 -14.864 -13.139 1.00 0.00 H new ATOM 0 HA2 GLY A 11 29.953 -12.826 -13.166 1.00 0.00 H new ATOM 0 HA3 GLY A 11 29.359 -13.421 -14.704 1.00 0.00 H new ATOM 111 N GLN A 12 29.051 -14.918 -11.763 1.00 0.00 N ATOM 112 CA GLN A 12 28.159 -15.748 -10.962 1.00 0.00 C ATOM 113 C GLN A 12 28.136 -15.278 -9.511 1.00 0.00 C ATOM 114 O GLN A 12 29.178 -15.173 -8.865 1.00 0.00 O ATOM 115 CB GLN A 12 28.594 -17.213 -11.029 1.00 0.00 C ATOM 116 CG GLN A 12 30.034 -17.441 -10.597 1.00 0.00 C ATOM 117 CD GLN A 12 30.418 -18.907 -10.597 1.00 0.00 C ATOM 118 OE1 GLN A 12 29.564 -19.785 -10.729 1.00 0.00 O ATOM 119 NE2 GLN A 12 31.709 -19.181 -10.450 1.00 0.00 N ATOM 0 H GLN A 12 29.895 -14.615 -11.277 1.00 0.00 H new ATOM 0 HA GLN A 12 27.153 -15.656 -11.371 1.00 0.00 H new ATOM 0 HB2 GLN A 12 27.935 -17.808 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 12 28.468 -17.574 -12.050 1.00 0.00 H new ATOM 0 HG2 GLN A 12 30.700 -16.895 -11.265 1.00 0.00 H new ATOM 0 HG3 GLN A 12 30.179 -17.031 -9.597 1.00 0.00 H new ATOM 0 HE21 GLN A 12 32.382 -18.422 -10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 12 32.027 -20.150 -10.443 1.00 0.00 H new ATOM 128 N PHE A 13 26.940 -14.997 -9.005 1.00 0.00 N ATOM 129 CA PHE A 13 26.780 -14.536 -7.630 1.00 0.00 C ATOM 130 C PHE A 13 25.819 -15.438 -6.863 1.00 0.00 C ATOM 131 O PHE A 13 24.681 -15.651 -7.282 1.00 0.00 O ATOM 132 CB PHE A 13 26.271 -13.094 -7.609 1.00 0.00 C ATOM 133 CG PHE A 13 26.038 -12.561 -6.224 1.00 0.00 C ATOM 134 CD1 PHE A 13 24.867 -12.852 -5.544 1.00 0.00 C ATOM 135 CD2 PHE A 13 26.991 -11.769 -5.603 1.00 0.00 C ATOM 136 CE1 PHE A 13 24.650 -12.362 -4.270 1.00 0.00 C ATOM 137 CE2 PHE A 13 26.779 -11.276 -4.329 1.00 0.00 C ATOM 138 CZ PHE A 13 25.608 -11.574 -3.661 1.00 0.00 C ATOM 0 H PHE A 13 26.067 -15.080 -9.526 1.00 0.00 H new ATOM 0 HA PHE A 13 27.755 -14.576 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 13 26.992 -12.455 -8.119 1.00 0.00 H new ATOM 0 HB3 PHE A 13 25.340 -13.037 -8.173 1.00 0.00 H new ATOM 0 HD1 PHE A 13 24.115 -13.469 -6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 13 27.910 -11.534 -6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 13 23.732 -12.595 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 13 27.529 -10.658 -3.857 1.00 0.00 H new ATOM 0 HZ PHE A 13 25.441 -11.192 -2.665 1.00 0.00 H new ATOM 148 N VAL A 14 26.285 -15.967 -5.736 1.00 0.00 N ATOM 149 CA VAL A 14 25.467 -16.846 -4.908 1.00 0.00 C ATOM 150 C VAL A 14 24.564 -16.043 -3.979 1.00 0.00 C ATOM 151 O VAL A 14 24.963 -15.004 -3.455 1.00 0.00 O ATOM 152 CB VAL A 14 26.340 -17.795 -4.065 1.00 0.00 C ATOM 153 CG1 VAL A 14 27.186 -18.683 -4.964 1.00 0.00 C ATOM 154 CG2 VAL A 14 27.216 -17.001 -3.107 1.00 0.00 C ATOM 0 H VAL A 14 27.225 -15.802 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 14 24.851 -17.437 -5.586 1.00 0.00 H new ATOM 0 HB VAL A 14 25.685 -18.437 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 14 27.796 -19.346 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.535 -19.278 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.835 -18.062 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 14 27.826 -17.686 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 14 27.864 -16.334 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 14 26.586 -16.413 -2.440 1.00 0.00 H new ATOM 164 N ASN A 15 23.345 -16.533 -3.779 1.00 0.00 N ATOM 165 CA ASN A 15 22.384 -15.860 -2.912 1.00 0.00 C ATOM 166 C ASN A 15 21.312 -16.833 -2.430 1.00 0.00 C ATOM 167 O ASN A 15 21.246 -17.976 -2.883 1.00 0.00 O ATOM 168 CB ASN A 15 21.731 -14.690 -3.651 1.00 0.00 C ATOM 169 CG ASN A 15 20.579 -15.133 -4.532 1.00 0.00 C ATOM 170 OD1 ASN A 15 20.746 -15.340 -5.734 1.00 0.00 O ATOM 171 ND2 ASN A 15 19.401 -15.280 -3.936 1.00 0.00 N ATOM 0 H ASN A 15 22.999 -17.393 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 15 22.921 -15.479 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 15 21.370 -13.961 -2.925 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.480 -14.187 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.589 -15.576 -4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.309 -15.097 -2.937 1.00 0.00 H new ATOM 178 N LYS A 16 20.474 -16.372 -1.508 1.00 0.00 N ATOM 179 CA LYS A 16 19.403 -17.199 -0.965 1.00 0.00 C ATOM 180 C LYS A 16 18.045 -16.745 -1.490 1.00 0.00 C ATOM 181 O LYS A 16 17.797 -15.549 -1.648 1.00 0.00 O ATOM 182 CB LYS A 16 19.414 -17.144 0.565 1.00 0.00 C ATOM 183 CG LYS A 16 18.771 -18.353 1.222 1.00 0.00 C ATOM 184 CD LYS A 16 19.687 -19.565 1.176 1.00 0.00 C ATOM 185 CE LYS A 16 20.820 -19.445 2.184 1.00 0.00 C ATOM 186 NZ LYS A 16 20.345 -19.646 3.580 1.00 0.00 N ATOM 0 H LYS A 16 20.516 -15.429 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 16 19.573 -18.226 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.445 -17.059 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.893 -16.244 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.528 -18.119 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.832 -18.586 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.110 -20.467 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.100 -19.672 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 16 21.590 -20.181 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.282 -18.462 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 21.163 -19.759 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.788 -18.820 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.752 -20.499 3.625 1.00 0.00 H new ATOM 200 N LEU A 17 17.168 -17.707 -1.758 1.00 0.00 N ATOM 201 CA LEU A 17 15.834 -17.406 -2.264 1.00 0.00 C ATOM 202 C LEU A 17 14.934 -16.881 -1.150 1.00 0.00 C ATOM 203 O LEU A 17 14.746 -17.541 -0.129 1.00 0.00 O ATOM 204 CB LEU A 17 15.211 -18.655 -2.892 1.00 0.00 C ATOM 205 CG LEU A 17 14.049 -18.413 -3.856 1.00 0.00 C ATOM 206 CD1 LEU A 17 14.567 -18.164 -5.264 1.00 0.00 C ATOM 207 CD2 LEU A 17 13.089 -19.594 -3.840 1.00 0.00 C ATOM 0 H LEU A 17 17.357 -18.701 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 17 15.928 -16.632 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.992 -19.197 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 17 14.862 -19.305 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 17 13.508 -17.526 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.726 -17.994 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.215 -17.287 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.132 -19.032 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.268 -19.405 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.618 -20.497 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.692 -19.727 -2.834 1.00 0.00 H new ATOM 219 N GLN A 18 14.380 -15.690 -1.356 1.00 0.00 N ATOM 220 CA GLN A 18 13.499 -15.077 -0.369 1.00 0.00 C ATOM 221 C GLN A 18 12.337 -14.359 -1.047 1.00 0.00 C ATOM 222 O GLN A 18 12.301 -14.237 -2.271 1.00 0.00 O ATOM 223 CB GLN A 18 14.281 -14.094 0.504 1.00 0.00 C ATOM 224 CG GLN A 18 15.126 -14.769 1.573 1.00 0.00 C ATOM 225 CD GLN A 18 14.315 -15.180 2.785 1.00 0.00 C ATOM 226 OE1 GLN A 18 13.434 -14.446 3.235 1.00 0.00 O ATOM 227 NE2 GLN A 18 14.608 -16.358 3.323 1.00 0.00 N ATOM 0 H GLN A 18 14.526 -15.131 -2.197 1.00 0.00 H new ATOM 0 HA GLN A 18 13.095 -15.870 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.929 -13.491 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.581 -13.411 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.608 -15.649 1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.920 -14.091 1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.346 -16.934 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.095 -16.687 4.141 1.00 0.00 H new ATOM 236 N GLU A 19 11.389 -13.887 -0.244 1.00 0.00 N ATOM 237 CA GLU A 19 10.225 -13.182 -0.768 1.00 0.00 C ATOM 238 C GLU A 19 10.306 -11.690 -0.456 1.00 0.00 C ATOM 239 O GLU A 19 10.850 -11.290 0.572 1.00 0.00 O ATOM 240 CB GLU A 19 8.940 -13.768 -0.182 1.00 0.00 C ATOM 241 CG GLU A 19 7.696 -13.439 -0.991 1.00 0.00 C ATOM 242 CD GLU A 19 6.537 -14.366 -0.682 1.00 0.00 C ATOM 243 OE1 GLU A 19 6.497 -14.914 0.439 1.00 0.00 O ATOM 244 OE2 GLU A 19 5.669 -14.543 -1.563 1.00 0.00 O ATOM 0 H GLU A 19 11.404 -13.980 0.772 1.00 0.00 H new ATOM 0 HA GLU A 19 10.213 -13.309 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.043 -14.851 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.811 -13.395 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.397 -12.410 -0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.932 -13.500 -2.054 1.00 0.00 H new ATOM 251 N GLU A 20 9.761 -10.874 -1.352 1.00 0.00 N ATOM 252 CA GLU A 20 9.772 -9.427 -1.173 1.00 0.00 C ATOM 253 C GLU A 20 8.351 -8.879 -1.074 1.00 0.00 C ATOM 254 O GLU A 20 7.420 -9.428 -1.663 1.00 0.00 O ATOM 255 CB GLU A 20 10.511 -8.753 -2.331 1.00 0.00 C ATOM 256 CG GLU A 20 9.724 -8.743 -3.631 1.00 0.00 C ATOM 257 CD GLU A 20 10.417 -7.957 -4.727 1.00 0.00 C ATOM 258 OE1 GLU A 20 11.155 -7.004 -4.398 1.00 0.00 O ATOM 259 OE2 GLU A 20 10.221 -8.294 -5.913 1.00 0.00 O ATOM 0 H GLU A 20 9.306 -11.190 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 20 10.293 -9.206 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.748 -7.726 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.459 -9.266 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.571 -9.769 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.738 -8.316 -3.451 1.00 0.00 H new ATOM 266 N VAL A 21 8.193 -7.793 -0.324 1.00 0.00 N ATOM 267 CA VAL A 21 6.886 -7.170 -0.148 1.00 0.00 C ATOM 268 C VAL A 21 6.805 -5.843 -0.893 1.00 0.00 C ATOM 269 O VAL A 21 7.642 -4.961 -0.703 1.00 0.00 O ATOM 270 CB VAL A 21 6.576 -6.929 1.342 1.00 0.00 C ATOM 271 CG1 VAL A 21 5.226 -6.248 1.503 1.00 0.00 C ATOM 272 CG2 VAL A 21 6.616 -8.240 2.113 1.00 0.00 C ATOM 0 H VAL A 21 8.953 -7.327 0.171 1.00 0.00 H new ATOM 0 HA VAL A 21 6.148 -7.860 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 21 7.340 -6.269 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.024 -6.086 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.238 -5.289 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.447 -6.880 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.395 -8.051 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.874 -8.926 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.608 -8.684 2.025 1.00 0.00 H new ATOM 282 N ILE A 22 5.792 -5.709 -1.742 1.00 0.00 N ATOM 283 CA ILE A 22 5.600 -4.489 -2.516 1.00 0.00 C ATOM 284 C ILE A 22 4.162 -3.993 -2.414 1.00 0.00 C ATOM 285 O ILE A 22 3.228 -4.786 -2.286 1.00 0.00 O ATOM 286 CB ILE A 22 5.954 -4.701 -3.999 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.409 -5.152 -4.140 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.710 -3.425 -4.790 1.00 0.00 C ATOM 289 CD1 ILE A 22 7.759 -5.642 -5.527 1.00 0.00 C ATOM 0 H ILE A 22 5.091 -6.431 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 22 6.271 -3.740 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 22 5.311 -5.483 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.065 -4.321 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.605 -5.948 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.965 -3.591 -5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.660 -3.144 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.330 -2.624 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.806 -5.945 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.128 -6.494 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.596 -4.841 -6.248 1.00 0.00 H new ATOM 301 N CYS A 23 3.989 -2.677 -2.473 1.00 0.00 N ATOM 302 CA CYS A 23 2.665 -2.074 -2.388 1.00 0.00 C ATOM 303 C CYS A 23 1.933 -2.180 -3.723 1.00 0.00 C ATOM 304 O CYS A 23 2.351 -1.617 -4.735 1.00 0.00 O ATOM 305 CB CYS A 23 2.775 -0.606 -1.970 1.00 0.00 C ATOM 306 SG CYS A 23 1.290 0.044 -1.139 1.00 0.00 S ATOM 0 H CYS A 23 4.751 -2.007 -2.580 1.00 0.00 H new ATOM 0 HA CYS A 23 2.094 -2.617 -1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.630 -0.492 -1.304 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.977 -0.002 -2.854 1.00 0.00 H new ATOM 311 N PRO A 24 0.813 -2.918 -3.727 1.00 0.00 N ATOM 312 CA PRO A 24 -0.001 -3.115 -4.929 1.00 0.00 C ATOM 313 C PRO A 24 -0.723 -1.841 -5.356 1.00 0.00 C ATOM 314 O PRO A 24 -1.390 -1.811 -6.391 1.00 0.00 O ATOM 315 CB PRO A 24 -1.011 -4.184 -4.503 1.00 0.00 C ATOM 316 CG PRO A 24 -1.109 -4.044 -3.023 1.00 0.00 C ATOM 317 CD PRO A 24 0.255 -3.617 -2.557 1.00 0.00 C ATOM 0 HA PRO A 24 0.605 -3.400 -5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.978 -4.027 -4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.674 -5.182 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.863 -3.306 -2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.402 -4.986 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.196 -2.962 -1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.867 -4.472 -2.270 1.00 0.00 H new ATOM 325 N ILE A 25 -0.585 -0.791 -4.553 1.00 0.00 N ATOM 326 CA ILE A 25 -1.223 0.486 -4.849 1.00 0.00 C ATOM 327 C ILE A 25 -0.285 1.400 -5.630 1.00 0.00 C ATOM 328 O ILE A 25 -0.562 1.761 -6.774 1.00 0.00 O ATOM 329 CB ILE A 25 -1.669 1.204 -3.562 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.751 0.392 -2.847 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.174 2.603 -3.884 1.00 0.00 C ATOM 332 CD1 ILE A 25 -3.013 0.850 -1.430 1.00 0.00 C ATOM 0 H ILE A 25 -0.037 -0.800 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.102 0.267 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.810 1.293 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.678 0.455 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.456 -0.657 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.486 3.098 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.376 3.179 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.022 2.536 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.791 0.230 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.098 0.761 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.339 1.890 -1.438 1.00 0.00 H new ATOM 344 N CYS A 26 0.827 1.771 -5.004 1.00 0.00 N ATOM 345 CA CYS A 26 1.808 2.643 -5.639 1.00 0.00 C ATOM 346 C CYS A 26 2.834 1.828 -6.422 1.00 0.00 C ATOM 347 O CYS A 26 3.612 2.376 -7.204 1.00 0.00 O ATOM 348 CB CYS A 26 2.516 3.500 -4.588 1.00 0.00 C ATOM 349 SG CYS A 26 3.061 2.574 -3.117 1.00 0.00 S ATOM 0 H CYS A 26 1.071 1.481 -4.057 1.00 0.00 H new ATOM 0 HA CYS A 26 1.281 3.296 -6.335 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.383 3.975 -5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.844 4.298 -4.273 1.00 0.00 H new ATOM 354 N LEU A 27 2.829 0.518 -6.206 1.00 0.00 N ATOM 355 CA LEU A 27 3.759 -0.374 -6.891 1.00 0.00 C ATOM 356 C LEU A 27 5.204 -0.003 -6.573 1.00 0.00 C ATOM 357 O LEU A 27 6.045 0.081 -7.468 1.00 0.00 O ATOM 358 CB LEU A 27 3.527 -0.321 -8.402 1.00 0.00 C ATOM 359 CG LEU A 27 2.238 -0.971 -8.906 1.00 0.00 C ATOM 360 CD1 LEU A 27 1.024 -0.194 -8.422 1.00 0.00 C ATOM 361 CD2 LEU A 27 2.245 -1.060 -10.426 1.00 0.00 C ATOM 0 H LEU A 27 2.192 0.049 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 27 3.578 -1.389 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.529 0.724 -8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.371 -0.803 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 27 2.181 -1.982 -8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.116 -0.671 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.011 -0.182 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.074 0.829 -8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.320 -1.525 -10.767 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.325 -0.059 -10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.095 -1.660 -10.751 1.00 0.00 H new ATOM 373 N ASP A 28 5.485 0.217 -5.294 1.00 0.00 N ATOM 374 CA ASP A 28 6.829 0.576 -4.857 1.00 0.00 C ATOM 375 C ASP A 28 7.141 -0.041 -3.497 1.00 0.00 C ATOM 376 O ASP A 28 6.240 -0.291 -2.696 1.00 0.00 O ATOM 377 CB ASP A 28 6.976 2.097 -4.787 1.00 0.00 C ATOM 378 CG ASP A 28 7.213 2.719 -6.149 1.00 0.00 C ATOM 379 OD1 ASP A 28 8.062 2.196 -6.900 1.00 0.00 O ATOM 380 OD2 ASP A 28 6.549 3.729 -6.463 1.00 0.00 O ATOM 0 H ASP A 28 4.800 0.153 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 28 7.539 0.183 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.076 2.526 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.806 2.349 -4.126 1.00 0.00 H new ATOM 385 N ILE A 29 8.423 -0.285 -3.244 1.00 0.00 N ATOM 386 CA ILE A 29 8.854 -0.873 -1.982 1.00 0.00 C ATOM 387 C ILE A 29 8.341 -0.064 -0.796 1.00 0.00 C ATOM 388 O ILE A 29 8.530 1.152 -0.731 1.00 0.00 O ATOM 389 CB ILE A 29 10.389 -0.968 -1.900 1.00 0.00 C ATOM 390 CG1 ILE A 29 10.932 -1.808 -3.057 1.00 0.00 C ATOM 391 CG2 ILE A 29 10.812 -1.560 -0.564 1.00 0.00 C ATOM 392 CD1 ILE A 29 12.351 -1.456 -3.445 1.00 0.00 C ATOM 0 H ILE A 29 9.181 -0.084 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 29 8.434 -1.878 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 29 10.805 0.036 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.890 -2.862 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.284 -1.679 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.899 -1.621 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.452 -0.925 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.388 -2.559 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.670 -2.091 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.396 -0.411 -3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.011 -1.612 -2.592 1.00 0.00 H new ATOM 404 N LEU A 30 7.693 -0.745 0.142 1.00 0.00 N ATOM 405 CA LEU A 30 7.154 -0.090 1.329 1.00 0.00 C ATOM 406 C LEU A 30 8.163 -0.119 2.473 1.00 0.00 C ATOM 407 O LEU A 30 8.412 -1.167 3.067 1.00 0.00 O ATOM 408 CB LEU A 30 5.854 -0.769 1.765 1.00 0.00 C ATOM 409 CG LEU A 30 5.802 -2.288 1.598 1.00 0.00 C ATOM 410 CD1 LEU A 30 4.866 -2.906 2.626 1.00 0.00 C ATOM 411 CD2 LEU A 30 5.366 -2.656 0.188 1.00 0.00 C ATOM 0 H LEU A 30 7.528 -1.751 0.104 1.00 0.00 H new ATOM 0 HA LEU A 30 6.947 0.950 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.678 -0.533 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.032 -0.333 1.198 1.00 0.00 H new ATOM 0 HG LEU A 30 6.803 -2.686 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.842 -3.987 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.222 -2.673 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.863 -2.501 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.335 -3.741 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.375 -2.245 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.075 -2.246 -0.531 1.00 0.00 H new ATOM 423 N GLN A 31 8.740 1.040 2.775 1.00 0.00 N ATOM 424 CA GLN A 31 9.721 1.148 3.848 1.00 0.00 C ATOM 425 C GLN A 31 9.266 0.374 5.081 1.00 0.00 C ATOM 426 O GLN A 31 9.956 -0.532 5.549 1.00 0.00 O ATOM 427 CB GLN A 31 9.954 2.616 4.210 1.00 0.00 C ATOM 428 CG GLN A 31 10.895 3.335 3.257 1.00 0.00 C ATOM 429 CD GLN A 31 10.374 3.364 1.834 1.00 0.00 C ATOM 430 OE1 GLN A 31 9.192 3.616 1.598 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.256 3.106 0.875 1.00 0.00 N ATOM 0 H GLN A 31 8.545 1.917 2.292 1.00 0.00 H new ATOM 0 HA GLN A 31 10.657 0.716 3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.996 3.135 4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.360 2.673 5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.048 4.357 3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.868 2.844 3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.226 2.902 1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.963 3.112 -0.102 1.00 0.00 H new ATOM 440 N LYS A 32 8.100 0.737 5.605 1.00 0.00 N ATOM 441 CA LYS A 32 7.550 0.078 6.783 1.00 0.00 C ATOM 442 C LYS A 32 6.335 -0.768 6.417 1.00 0.00 C ATOM 443 O LYS A 32 5.231 -0.259 6.221 1.00 0.00 O ATOM 444 CB LYS A 32 7.163 1.115 7.840 1.00 0.00 C ATOM 445 CG LYS A 32 8.296 1.469 8.788 1.00 0.00 C ATOM 446 CD LYS A 32 7.770 2.005 10.109 1.00 0.00 C ATOM 447 CE LYS A 32 8.807 2.865 10.814 1.00 0.00 C ATOM 448 NZ LYS A 32 9.701 2.053 11.686 1.00 0.00 N ATOM 0 H LYS A 32 7.517 1.486 5.231 1.00 0.00 H new ATOM 0 HA LYS A 32 8.318 -0.579 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.822 2.022 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.321 0.735 8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.908 0.586 8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.942 2.214 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.869 2.592 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.487 1.173 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.406 3.394 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.303 3.622 11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.394 2.676 12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.133 1.568 12.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.201 1.347 11.109 1.00 0.00 H new ATOM 462 N PRO A 33 6.540 -2.090 6.322 1.00 0.00 N ATOM 463 CA PRO A 33 5.471 -3.034 5.981 1.00 0.00 C ATOM 464 C PRO A 33 4.442 -3.174 7.098 1.00 0.00 C ATOM 465 O PRO A 33 4.679 -3.861 8.091 1.00 0.00 O ATOM 466 CB PRO A 33 6.218 -4.355 5.773 1.00 0.00 C ATOM 467 CG PRO A 33 7.457 -4.222 6.590 1.00 0.00 C ATOM 468 CD PRO A 33 7.829 -2.766 6.543 1.00 0.00 C ATOM 0 HA PRO A 33 4.902 -2.708 5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.618 -5.205 6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.453 -4.516 4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.285 -4.548 7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.258 -4.843 6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.299 -2.441 7.472 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.535 -2.558 5.739 1.00 0.00 H new ATOM 476 N VAL A 34 3.299 -2.518 6.928 1.00 0.00 N ATOM 477 CA VAL A 34 2.233 -2.571 7.921 1.00 0.00 C ATOM 478 C VAL A 34 1.183 -3.610 7.546 1.00 0.00 C ATOM 479 O VAL A 34 0.341 -3.374 6.678 1.00 0.00 O ATOM 480 CB VAL A 34 1.548 -1.200 8.083 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.410 -1.287 9.089 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.561 -0.145 8.501 1.00 0.00 C ATOM 0 H VAL A 34 3.087 -1.944 6.112 1.00 0.00 H new ATOM 0 HA VAL A 34 2.696 -2.852 8.867 1.00 0.00 H new ATOM 0 HB VAL A 34 1.128 -0.907 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.062 -0.310 9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.327 -2.012 8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.802 -1.602 10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.060 0.817 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.012 -0.430 9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.338 -0.065 7.741 1.00 0.00 H new ATOM 492 N THR A 35 1.237 -4.763 8.205 1.00 0.00 N ATOM 493 CA THR A 35 0.291 -5.840 7.941 1.00 0.00 C ATOM 494 C THR A 35 -1.103 -5.484 8.444 1.00 0.00 C ATOM 495 O THR A 35 -1.279 -5.126 9.609 1.00 0.00 O ATOM 496 CB THR A 35 0.741 -7.158 8.600 1.00 0.00 C ATOM 497 OG1 THR A 35 2.134 -7.380 8.349 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.068 -8.332 8.070 1.00 0.00 C ATOM 0 H THR A 35 1.927 -4.975 8.926 1.00 0.00 H new ATOM 0 HA THR A 35 0.261 -5.975 6.860 1.00 0.00 H new ATOM 0 HB THR A 35 0.574 -7.077 9.674 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.362 -7.050 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.268 -9.251 8.550 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.124 -8.174 8.288 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.072 -8.413 6.992 1.00 0.00 H new ATOM 506 N ILE A 36 -2.090 -5.584 7.560 1.00 0.00 N ATOM 507 CA ILE A 36 -3.469 -5.274 7.917 1.00 0.00 C ATOM 508 C ILE A 36 -4.240 -6.538 8.283 1.00 0.00 C ATOM 509 O ILE A 36 -3.863 -7.642 7.892 1.00 0.00 O ATOM 510 CB ILE A 36 -4.199 -4.555 6.767 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.566 -4.921 5.424 1.00 0.00 C ATOM 512 CG2 ILE A 36 -4.169 -3.049 6.981 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.262 -4.293 4.237 1.00 0.00 C ATOM 0 H ILE A 36 -1.960 -5.877 6.592 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.430 -4.612 8.782 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.239 -4.880 6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.521 -4.611 5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.577 -6.005 5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.689 -2.554 6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.662 -2.805 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.135 -2.707 7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.760 -4.596 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.301 -4.622 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.228 -3.207 4.328 1.00 0.00 H new ATOM 525 N ASP A 37 -5.322 -6.367 9.034 1.00 0.00 N ATOM 526 CA ASP A 37 -6.149 -7.494 9.451 1.00 0.00 C ATOM 527 C ASP A 37 -6.566 -8.335 8.249 1.00 0.00 C ATOM 528 O ASP A 37 -7.010 -9.474 8.399 1.00 0.00 O ATOM 529 CB ASP A 37 -7.388 -6.996 10.196 1.00 0.00 C ATOM 530 CG ASP A 37 -7.934 -8.026 11.165 1.00 0.00 C ATOM 531 OD1 ASP A 37 -7.742 -9.235 10.916 1.00 0.00 O ATOM 532 OD2 ASP A 37 -8.553 -7.625 12.172 1.00 0.00 O ATOM 0 H ASP A 37 -5.647 -5.459 9.367 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.559 -8.119 10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.139 -6.085 10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.162 -6.735 9.474 1.00 0.00 H new ATOM 537 N CYS A 38 -6.422 -7.767 7.057 1.00 0.00 N ATOM 538 CA CYS A 38 -6.786 -8.463 5.828 1.00 0.00 C ATOM 539 C CYS A 38 -5.801 -9.590 5.530 1.00 0.00 C ATOM 540 O CYS A 38 -6.159 -10.596 4.919 1.00 0.00 O ATOM 541 CB CYS A 38 -6.826 -7.482 4.655 1.00 0.00 C ATOM 542 SG CYS A 38 -5.241 -7.311 3.774 1.00 0.00 S ATOM 0 H CYS A 38 -6.055 -6.826 6.915 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.777 -8.896 5.964 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.589 -7.808 3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.132 -6.503 5.024 1.00 0.00 H new ATOM 547 N GLY A 39 -4.558 -9.413 5.967 1.00 0.00 N ATOM 548 CA GLY A 39 -3.540 -10.422 5.738 1.00 0.00 C ATOM 549 C GLY A 39 -2.316 -9.863 5.040 1.00 0.00 C ATOM 550 O GLY A 39 -1.189 -10.060 5.495 1.00 0.00 O ATOM 0 H GLY A 39 -4.238 -8.589 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.243 -10.857 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.961 -11.228 5.137 1.00 0.00 H new ATOM 554 N HIS A 40 -2.536 -9.165 3.931 1.00 0.00 N ATOM 555 CA HIS A 40 -1.441 -8.577 3.168 1.00 0.00 C ATOM 556 C HIS A 40 -0.924 -7.311 3.846 1.00 0.00 C ATOM 557 O HIS A 40 -1.490 -6.852 4.837 1.00 0.00 O ATOM 558 CB HIS A 40 -1.897 -8.256 1.744 1.00 0.00 C ATOM 559 CG HIS A 40 -2.719 -9.341 1.120 1.00 0.00 C ATOM 560 ND1 HIS A 40 -4.080 -9.236 0.925 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.366 -10.558 0.645 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.528 -10.342 0.358 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.508 -11.161 0.177 1.00 0.00 N ATOM 0 H HIS A 40 -3.462 -8.993 3.541 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.630 -9.304 3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.477 -7.333 1.756 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.020 -8.073 1.123 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.371 -10.977 0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.554 -10.542 0.088 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.560 -12.090 -0.242 1.00 0.00 H new ATOM 571 N ASN A 41 0.155 -6.754 3.306 1.00 0.00 N ATOM 572 CA ASN A 41 0.748 -5.543 3.860 1.00 0.00 C ATOM 573 C ASN A 41 0.672 -4.393 2.859 1.00 0.00 C ATOM 574 O ASN A 41 0.339 -4.594 1.691 1.00 0.00 O ATOM 575 CB ASN A 41 2.205 -5.797 4.252 1.00 0.00 C ATOM 576 CG ASN A 41 2.448 -7.234 4.672 1.00 0.00 C ATOM 577 OD1 ASN A 41 2.586 -7.531 5.858 1.00 0.00 O ATOM 578 ND2 ASN A 41 2.502 -8.133 3.696 1.00 0.00 N ATOM 0 H ASN A 41 0.636 -7.122 2.485 1.00 0.00 H new ATOM 0 HA ASN A 41 0.182 -5.265 4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.853 -5.553 3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.480 -5.131 5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.664 -9.116 3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.382 -7.841 2.726 1.00 0.00 H new ATOM 585 N PHE A 42 0.985 -3.189 3.326 1.00 0.00 N ATOM 586 CA PHE A 42 0.952 -2.006 2.473 1.00 0.00 C ATOM 587 C PHE A 42 1.915 -0.939 2.985 1.00 0.00 C ATOM 588 O PHE A 42 2.542 -1.104 4.032 1.00 0.00 O ATOM 589 CB PHE A 42 -0.467 -1.439 2.406 1.00 0.00 C ATOM 590 CG PHE A 42 -1.407 -2.270 1.579 1.00 0.00 C ATOM 591 CD1 PHE A 42 -1.910 -3.464 2.069 1.00 0.00 C ATOM 592 CD2 PHE A 42 -1.787 -1.856 0.313 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.773 -4.231 1.310 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.651 -2.619 -0.451 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.146 -3.807 0.049 1.00 0.00 C ATOM 0 H PHE A 42 1.264 -3.006 4.290 1.00 0.00 H new ATOM 0 HA PHE A 42 1.265 -2.302 1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.864 -1.354 3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.428 -0.431 1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.624 -3.799 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.404 -0.927 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.156 -5.162 1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.938 -2.286 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.823 -4.404 -0.544 1.00 0.00 H new ATOM 605 N CYS A 43 2.027 0.155 2.240 1.00 0.00 N ATOM 606 CA CYS A 43 2.913 1.250 2.616 1.00 0.00 C ATOM 607 C CYS A 43 2.142 2.349 3.341 1.00 0.00 C ATOM 608 O CYS A 43 1.030 2.705 2.949 1.00 0.00 O ATOM 609 CB CYS A 43 3.600 1.826 1.376 1.00 0.00 C ATOM 610 SG CYS A 43 2.686 3.189 0.586 1.00 0.00 S ATOM 0 H CYS A 43 1.515 0.307 1.371 1.00 0.00 H new ATOM 0 HA CYS A 43 3.671 0.856 3.293 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.592 2.182 1.655 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.741 1.027 0.648 1.00 0.00 H new ATOM 615 N LEU A 44 2.740 2.882 4.401 1.00 0.00 N ATOM 616 CA LEU A 44 2.111 3.942 5.182 1.00 0.00 C ATOM 617 C LEU A 44 1.559 5.035 4.272 1.00 0.00 C ATOM 618 O LEU A 44 0.418 5.469 4.427 1.00 0.00 O ATOM 619 CB LEU A 44 3.116 4.542 6.167 1.00 0.00 C ATOM 620 CG LEU A 44 2.532 5.092 7.469 1.00 0.00 C ATOM 621 CD1 LEU A 44 3.619 5.232 8.523 1.00 0.00 C ATOM 622 CD2 LEU A 44 1.849 6.430 7.223 1.00 0.00 C ATOM 0 H LEU A 44 3.659 2.598 4.739 1.00 0.00 H new ATOM 0 HA LEU A 44 1.282 3.506 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.851 3.777 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.652 5.347 5.664 1.00 0.00 H new ATOM 0 HG LEU A 44 1.786 4.388 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.186 5.625 9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.064 4.256 8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.388 5.916 8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.439 6.807 8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.575 7.143 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.043 6.300 6.501 1.00 0.00 H new ATOM 634 N LYS A 45 2.376 5.474 3.321 1.00 0.00 N ATOM 635 CA LYS A 45 1.970 6.513 2.382 1.00 0.00 C ATOM 636 C LYS A 45 0.623 6.179 1.749 1.00 0.00 C ATOM 637 O LYS A 45 -0.124 7.072 1.348 1.00 0.00 O ATOM 638 CB LYS A 45 3.030 6.687 1.292 1.00 0.00 C ATOM 639 CG LYS A 45 4.372 7.165 1.818 1.00 0.00 C ATOM 640 CD LYS A 45 5.223 6.007 2.309 1.00 0.00 C ATOM 641 CE LYS A 45 6.707 6.298 2.150 1.00 0.00 C ATOM 642 NZ LYS A 45 7.140 6.209 0.727 1.00 0.00 N ATOM 0 H LYS A 45 3.324 5.126 3.180 1.00 0.00 H new ATOM 0 HA LYS A 45 1.869 7.447 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.169 5.736 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.665 7.399 0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.903 7.699 1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.214 7.872 2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.000 5.810 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.967 5.105 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.925 7.294 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.282 5.592 2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.179 6.211 0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.776 5.330 0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.768 7.024 0.199 1.00 0.00 H new ATOM 656 N CYS A 46 0.319 4.888 1.663 1.00 0.00 N ATOM 657 CA CYS A 46 -0.938 4.436 1.080 1.00 0.00 C ATOM 658 C CYS A 46 -1.993 4.220 2.162 1.00 0.00 C ATOM 659 O CYS A 46 -3.081 4.794 2.105 1.00 0.00 O ATOM 660 CB CYS A 46 -0.723 3.139 0.297 1.00 0.00 C ATOM 661 SG CYS A 46 -0.320 3.392 -1.462 1.00 0.00 S ATOM 0 H CYS A 46 0.926 4.137 1.990 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.293 5.210 0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.082 2.573 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.624 2.530 0.369 1.00 0.00 H new ATOM 666 N ILE A 47 -1.663 3.390 3.145 1.00 0.00 N ATOM 667 CA ILE A 47 -2.581 3.100 4.240 1.00 0.00 C ATOM 668 C ILE A 47 -3.135 4.384 4.847 1.00 0.00 C ATOM 669 O ILE A 47 -4.323 4.474 5.159 1.00 0.00 O ATOM 670 CB ILE A 47 -1.895 2.277 5.346 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.376 0.953 4.780 1.00 0.00 C ATOM 672 CG2 ILE A 47 -2.860 2.026 6.495 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.469 0.203 5.731 1.00 0.00 C ATOM 0 H ILE A 47 -0.767 2.906 3.206 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.400 2.517 3.819 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.046 2.845 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.225 0.319 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.835 1.150 3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.361 1.443 7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.185 2.979 6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.727 1.476 6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.139 -0.725 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.399 0.818 5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.012 -0.026 6.648 1.00 0.00 H new ATOM 685 N THR A 48 -2.268 5.378 5.010 1.00 0.00 N ATOM 686 CA THR A 48 -2.670 6.658 5.579 1.00 0.00 C ATOM 687 C THR A 48 -3.860 7.244 4.828 1.00 0.00 C ATOM 688 O THR A 48 -4.791 7.769 5.437 1.00 0.00 O ATOM 689 CB THR A 48 -1.512 7.673 5.554 1.00 0.00 C ATOM 690 OG1 THR A 48 -1.941 8.921 6.110 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.013 7.890 4.134 1.00 0.00 C ATOM 0 H THR A 48 -1.282 5.321 4.756 1.00 0.00 H new ATOM 0 HA THR A 48 -2.954 6.468 6.614 1.00 0.00 H new ATOM 0 HB THR A 48 -0.694 7.271 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.198 9.560 6.092 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.195 8.611 4.142 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.659 6.944 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.827 8.271 3.517 1.00 0.00 H new ATOM 699 N GLN A 49 -3.822 7.149 3.503 1.00 0.00 N ATOM 700 CA GLN A 49 -4.899 7.670 2.669 1.00 0.00 C ATOM 701 C GLN A 49 -6.183 6.873 2.877 1.00 0.00 C ATOM 702 O GLN A 49 -7.229 7.437 3.200 1.00 0.00 O ATOM 703 CB GLN A 49 -4.495 7.632 1.194 1.00 0.00 C ATOM 704 CG GLN A 49 -3.729 8.865 0.741 1.00 0.00 C ATOM 705 CD GLN A 49 -4.553 10.133 0.843 1.00 0.00 C ATOM 706 OE1 GLN A 49 -4.766 10.663 1.934 1.00 0.00 O ATOM 707 NE2 GLN A 49 -5.021 10.628 -0.296 1.00 0.00 N ATOM 0 H GLN A 49 -3.058 6.716 2.984 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.083 8.704 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.882 6.748 1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.391 7.526 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.829 8.972 1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.405 8.728 -0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.820 10.156 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.581 11.480 -0.290 1.00 0.00 H new ATOM 716 N ILE A 50 -6.096 5.561 2.690 1.00 0.00 N ATOM 717 CA ILE A 50 -7.251 4.687 2.858 1.00 0.00 C ATOM 718 C ILE A 50 -7.891 4.881 4.228 1.00 0.00 C ATOM 719 O ILE A 50 -9.107 5.027 4.341 1.00 0.00 O ATOM 720 CB ILE A 50 -6.866 3.206 2.688 1.00 0.00 C ATOM 721 CG1 ILE A 50 -6.208 2.981 1.325 1.00 0.00 C ATOM 722 CG2 ILE A 50 -8.092 2.319 2.843 1.00 0.00 C ATOM 723 CD1 ILE A 50 -5.344 1.740 1.268 1.00 0.00 C ATOM 0 H ILE A 50 -5.238 5.079 2.422 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.968 4.958 2.083 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.149 2.941 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.984 2.909 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.598 3.850 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.804 1.275 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.522 2.462 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.830 2.583 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.910 1.644 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.546 1.818 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.953 0.862 1.484 1.00 0.00 H new ATOM 735 N GLY A 51 -7.063 4.881 5.268 1.00 0.00 N ATOM 736 CA GLY A 51 -7.566 5.059 6.617 1.00 0.00 C ATOM 737 C GLY A 51 -8.456 6.279 6.748 1.00 0.00 C ATOM 738 O GLY A 51 -9.489 6.233 7.415 1.00 0.00 O ATOM 0 H GLY A 51 -6.052 4.761 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.126 4.172 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.726 5.150 7.306 1.00 0.00 H new ATOM 742 N GLU A 52 -8.054 7.375 6.111 1.00 0.00 N ATOM 743 CA GLU A 52 -8.822 8.613 6.162 1.00 0.00 C ATOM 744 C GLU A 52 -10.123 8.479 5.376 1.00 0.00 C ATOM 745 O GLU A 52 -11.214 8.549 5.943 1.00 0.00 O ATOM 746 CB GLU A 52 -7.996 9.775 5.606 1.00 0.00 C ATOM 747 CG GLU A 52 -6.812 10.153 6.481 1.00 0.00 C ATOM 748 CD GLU A 52 -6.170 11.460 6.060 1.00 0.00 C ATOM 749 OE1 GLU A 52 -5.687 11.543 4.912 1.00 0.00 O ATOM 750 OE2 GLU A 52 -6.150 12.402 6.881 1.00 0.00 O ATOM 0 H GLU A 52 -7.201 7.430 5.554 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.066 8.816 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.633 9.510 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.642 10.645 5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.141 10.231 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.068 9.358 6.442 1.00 0.00 H new ATOM 757 N THR A 53 -10.000 8.286 4.067 1.00 0.00 N ATOM 758 CA THR A 53 -11.165 8.144 3.202 1.00 0.00 C ATOM 759 C THR A 53 -12.177 7.173 3.799 1.00 0.00 C ATOM 760 O THR A 53 -13.380 7.432 3.789 1.00 0.00 O ATOM 761 CB THR A 53 -10.765 7.652 1.798 1.00 0.00 C ATOM 762 OG1 THR A 53 -11.933 7.490 0.985 1.00 0.00 O ATOM 763 CG2 THR A 53 -10.011 6.334 1.880 1.00 0.00 C ATOM 0 H THR A 53 -9.105 8.224 3.582 1.00 0.00 H new ATOM 0 HA THR A 53 -11.619 9.131 3.117 1.00 0.00 H new ATOM 0 HB THR A 53 -10.110 8.399 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.671 7.179 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.739 6.007 0.876 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.108 6.468 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.645 5.581 2.348 1.00 0.00 H new ATOM 771 N SER A 54 -11.682 6.054 4.319 1.00 0.00 N ATOM 772 CA SER A 54 -12.544 5.042 4.918 1.00 0.00 C ATOM 773 C SER A 54 -12.223 4.862 6.398 1.00 0.00 C ATOM 774 O SER A 54 -11.116 4.461 6.760 1.00 0.00 O ATOM 775 CB SER A 54 -12.388 3.709 4.184 1.00 0.00 C ATOM 776 OG SER A 54 -11.079 3.190 4.344 1.00 0.00 O ATOM 0 H SER A 54 -10.688 5.826 4.337 1.00 0.00 H new ATOM 0 HA SER A 54 -13.576 5.379 4.827 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.116 2.993 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.601 3.847 3.124 1.00 0.00 H new ATOM 0 HG SER A 54 -10.472 3.910 4.615 1.00 0.00 H new ATOM 782 N CYS A 55 -13.198 5.161 7.250 1.00 0.00 N ATOM 783 CA CYS A 55 -13.020 5.032 8.692 1.00 0.00 C ATOM 784 C CYS A 55 -13.592 3.711 9.195 1.00 0.00 C ATOM 785 O CYS A 55 -12.981 3.032 10.019 1.00 0.00 O ATOM 786 CB CYS A 55 -13.691 6.201 9.415 1.00 0.00 C ATOM 787 SG CYS A 55 -13.357 6.259 11.191 1.00 0.00 S ATOM 0 H CYS A 55 -14.120 5.494 6.967 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.951 5.048 8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.356 7.134 8.962 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -14.768 6.140 9.260 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.965 7.282 11.714 1.00 0.00 H new ATOM 793 N GLY A 56 -14.771 3.354 8.694 1.00 0.00 N ATOM 794 CA GLY A 56 -15.407 2.116 9.106 1.00 0.00 C ATOM 795 C GLY A 56 -14.533 0.903 8.855 1.00 0.00 C ATOM 796 O GLY A 56 -13.700 0.547 9.688 1.00 0.00 O ATOM 0 H GLY A 56 -15.297 3.899 8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.650 2.172 10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.348 1.999 8.569 1.00 0.00 H new ATOM 800 N PHE A 57 -14.723 0.267 7.704 1.00 0.00 N ATOM 801 CA PHE A 57 -13.947 -0.915 7.347 1.00 0.00 C ATOM 802 C PHE A 57 -12.846 -0.562 6.351 1.00 0.00 C ATOM 803 O PHE A 57 -12.730 0.584 5.918 1.00 0.00 O ATOM 804 CB PHE A 57 -14.860 -1.991 6.756 1.00 0.00 C ATOM 805 CG PHE A 57 -15.012 -1.896 5.265 1.00 0.00 C ATOM 806 CD1 PHE A 57 -15.607 -0.787 4.685 1.00 0.00 C ATOM 807 CD2 PHE A 57 -14.559 -2.915 4.442 1.00 0.00 C ATOM 808 CE1 PHE A 57 -15.748 -0.695 3.313 1.00 0.00 C ATOM 809 CE2 PHE A 57 -14.696 -2.828 3.069 1.00 0.00 C ATOM 810 CZ PHE A 57 -15.293 -1.718 2.504 1.00 0.00 C ATOM 0 H PHE A 57 -15.407 0.550 7.003 1.00 0.00 H new ATOM 0 HA PHE A 57 -13.482 -1.302 8.254 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.462 -2.973 7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -15.844 -1.916 7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.965 0.016 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.094 -3.787 4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.213 0.175 2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.336 -3.628 2.438 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.404 -1.650 1.432 1.00 0.00 H new ATOM 820 N PHE A 58 -12.040 -1.556 5.992 1.00 0.00 N ATOM 821 CA PHE A 58 -10.948 -1.352 5.049 1.00 0.00 C ATOM 822 C PHE A 58 -11.039 -2.339 3.889 1.00 0.00 C ATOM 823 O PHE A 58 -11.201 -3.542 4.093 1.00 0.00 O ATOM 824 CB PHE A 58 -9.600 -1.502 5.756 1.00 0.00 C ATOM 825 CG PHE A 58 -8.424 -1.456 4.823 1.00 0.00 C ATOM 826 CD1 PHE A 58 -8.205 -2.477 3.912 1.00 0.00 C ATOM 827 CD2 PHE A 58 -7.537 -0.392 4.856 1.00 0.00 C ATOM 828 CE1 PHE A 58 -7.124 -2.438 3.051 1.00 0.00 C ATOM 829 CE2 PHE A 58 -6.455 -0.347 3.998 1.00 0.00 C ATOM 830 CZ PHE A 58 -6.248 -1.372 3.095 1.00 0.00 C ATOM 0 H PHE A 58 -12.123 -2.511 6.340 1.00 0.00 H new ATOM 0 HA PHE A 58 -11.031 -0.341 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.497 -0.709 6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.587 -2.448 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.887 -3.313 3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.693 0.411 5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.965 -3.240 2.345 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.772 0.489 4.033 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.402 -1.339 2.424 1.00 0.00 H new ATOM 840 N LYS A 59 -10.934 -1.821 2.669 1.00 0.00 N ATOM 841 CA LYS A 59 -11.004 -2.655 1.475 1.00 0.00 C ATOM 842 C LYS A 59 -9.610 -2.928 0.920 1.00 0.00 C ATOM 843 O LYS A 59 -8.771 -2.030 0.852 1.00 0.00 O ATOM 844 CB LYS A 59 -11.866 -1.980 0.406 1.00 0.00 C ATOM 845 CG LYS A 59 -11.874 -2.715 -0.923 1.00 0.00 C ATOM 846 CD LYS A 59 -13.158 -2.458 -1.694 1.00 0.00 C ATOM 847 CE LYS A 59 -13.374 -3.502 -2.779 1.00 0.00 C ATOM 848 NZ LYS A 59 -13.885 -4.785 -2.221 1.00 0.00 N ATOM 0 H LYS A 59 -10.800 -0.827 2.482 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.459 -3.606 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.889 -1.900 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.504 -0.964 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.020 -2.397 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.761 -3.785 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.004 -2.465 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.121 -1.466 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.081 -3.119 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.435 -3.682 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.083 -5.447 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.170 -5.198 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.759 -4.607 -1.686 1.00 0.00 H new ATOM 862 N CYS A 60 -9.369 -4.174 0.524 1.00 0.00 N ATOM 863 CA CYS A 60 -8.077 -4.565 -0.026 1.00 0.00 C ATOM 864 C CYS A 60 -8.231 -5.106 -1.445 1.00 0.00 C ATOM 865 O CYS A 60 -9.127 -5.897 -1.741 1.00 0.00 O ATOM 866 CB CYS A 60 -7.419 -5.621 0.865 1.00 0.00 C ATOM 867 SG CYS A 60 -5.849 -6.273 0.210 1.00 0.00 S ATOM 0 H CYS A 60 -10.052 -4.930 0.574 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.442 -3.680 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.238 -5.189 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.114 -6.449 1.003 1.00 0.00 H new ATOM 872 N PRO A 61 -7.337 -4.669 -2.344 1.00 0.00 N ATOM 873 CA PRO A 61 -7.352 -5.096 -3.746 1.00 0.00 C ATOM 874 C PRO A 61 -6.951 -6.558 -3.912 1.00 0.00 C ATOM 875 O PRO A 61 -7.509 -7.276 -4.742 1.00 0.00 O ATOM 876 CB PRO A 61 -6.318 -4.180 -4.407 1.00 0.00 C ATOM 877 CG PRO A 61 -5.397 -3.791 -3.303 1.00 0.00 C ATOM 878 CD PRO A 61 -6.242 -3.726 -2.061 1.00 0.00 C ATOM 0 HA PRO A 61 -8.348 -5.023 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.784 -4.696 -5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.792 -3.306 -4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.594 -4.519 -3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.928 -2.828 -3.507 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.678 -4.019 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.616 -2.718 -1.882 1.00 0.00 H new ATOM 886 N LEU A 62 -5.980 -6.994 -3.116 1.00 0.00 N ATOM 887 CA LEU A 62 -5.505 -8.372 -3.173 1.00 0.00 C ATOM 888 C LEU A 62 -6.563 -9.336 -2.646 1.00 0.00 C ATOM 889 O LEU A 62 -6.841 -10.366 -3.260 1.00 0.00 O ATOM 890 CB LEU A 62 -4.214 -8.521 -2.366 1.00 0.00 C ATOM 891 CG LEU A 62 -3.117 -7.498 -2.660 1.00 0.00 C ATOM 892 CD1 LEU A 62 -1.934 -7.701 -1.726 1.00 0.00 C ATOM 893 CD2 LEU A 62 -2.674 -7.593 -4.112 1.00 0.00 C ATOM 0 H LEU A 62 -5.507 -6.413 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.305 -8.618 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.463 -8.463 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.811 -9.518 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.522 -6.501 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.163 -6.964 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.261 -7.581 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.529 -8.703 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.893 -6.857 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.287 -8.593 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.524 -7.397 -4.765 1.00 0.00 H new ATOM 905 N CYS A 63 -7.151 -8.993 -1.505 1.00 0.00 N ATOM 906 CA CYS A 63 -8.181 -9.826 -0.894 1.00 0.00 C ATOM 907 C CYS A 63 -9.330 -10.071 -1.867 1.00 0.00 C ATOM 908 O CYS A 63 -9.551 -9.290 -2.792 1.00 0.00 O ATOM 909 CB CYS A 63 -8.709 -9.167 0.381 1.00 0.00 C ATOM 910 SG CYS A 63 -7.588 -9.306 1.810 1.00 0.00 S ATOM 0 H CYS A 63 -6.932 -8.144 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.733 -10.787 -0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.896 -8.112 0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.667 -9.617 0.640 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.673 2.356 -1.364 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.566 -8.147 1.600 1.00 0.00 ZN