USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 CYS SG : rot -169:sc= -3.8! USER MOD Set 1.2: A 39 CYS SG : rot -122:sc= -7.48! USER MOD Set 1.3: A 44 HIS : no HE2:sc= -9.64! C(o=-20!,f=-20!) USER MOD Set 1.4: A 49 CYS SG : rot 47:sc= 1.35 USER MOD Set 2.1: A 15 CYS SG : rot 131:sc= -1.8! USER MOD Set 2.2: A 17 ASN : amide:sc= -5.13 K(o=-17,f=-21!) USER MOD Set 2.3: A 18 CYS SG : rot -75:sc= -2.87! USER MOD Set 2.4: A 23 HIS : no HD1:sc= -3.24! C(o=-17!,f=-23!) USER MOD Set 2.5: A 28 CYS SG : rot 98:sc= -3.75! USER MOD Single : A 2 GLN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -4.59! C(o=-4.6!,f=-10!) USER MOD Single : A 8 ASN :FLIP amide:sc= 0.0748 F(o=-5!,f=0.075) USER MOD Single : A 9 GLN : amide:sc= -3.4! C(o=-3.4!,f=-6.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.03! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= -1.36 (180deg=-1.51) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.4! C(o=-6.5!,f=-4.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -0.148 (180deg=-2.09!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.722 K(o=-0.72,f=-6.2!) USER MOD Single : A 46 MET CE :methyl -162:sc= -7.72! (180deg=-8.83!) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0759) USER MOD Single : A 50 THR OG1 : rot 20:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -30.054 8.379 6.748 1.00 0.00 N ATOM 19 CA GLN A 2 -31.163 9.273 7.035 1.00 0.00 C ATOM 20 C GLN A 2 -32.488 8.618 6.642 1.00 0.00 C ATOM 21 O GLN A 2 -33.468 8.697 7.381 1.00 0.00 O ATOM 22 CB GLN A 2 -30.983 10.616 6.324 1.00 0.00 C ATOM 23 CG GLN A 2 -30.920 10.429 4.806 1.00 0.00 C ATOM 24 CD GLN A 2 -30.078 11.526 4.152 1.00 0.00 C ATOM 25 OE1 GLN A 2 -30.363 12.707 4.254 1.00 0.00 O ATOM 26 NE2 GLN A 2 -29.027 11.070 3.477 1.00 0.00 N ATOM 0 HA GLN A 2 -31.180 9.467 8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -31.809 11.280 6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.069 11.097 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -30.495 9.453 4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -31.928 10.444 4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -28.846 10.067 3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -28.402 11.723 3.005 1.00 0.00 H new ATOM 35 N LYS A 3 -32.476 7.985 5.477 1.00 0.00 N ATOM 36 CA LYS A 3 -33.665 7.317 4.976 1.00 0.00 C ATOM 37 C LYS A 3 -34.080 6.221 5.959 1.00 0.00 C ATOM 38 O LYS A 3 -35.266 6.049 6.237 1.00 0.00 O ATOM 39 CB LYS A 3 -33.435 6.810 3.551 1.00 0.00 C ATOM 40 CG LYS A 3 -34.090 7.736 2.526 1.00 0.00 C ATOM 41 CD LYS A 3 -33.114 8.820 2.064 1.00 0.00 C ATOM 42 CE LYS A 3 -33.833 9.890 1.239 1.00 0.00 C ATOM 43 NZ LYS A 3 -32.859 10.683 0.456 1.00 0.00 N ATOM 0 H LYS A 3 -31.662 7.921 4.866 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.497 8.018 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.365 6.743 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.842 5.804 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -34.426 7.154 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -34.974 8.200 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.640 9.281 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.320 8.370 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -34.550 9.418 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -34.399 10.547 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -33.364 11.404 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.190 11.148 1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -32.337 10.055 -0.188 1.00 0.00 H new ATOM 57 N GLY A 4 -33.082 5.508 6.458 1.00 0.00 N ATOM 58 CA GLY A 4 -33.328 4.433 7.405 1.00 0.00 C ATOM 59 C GLY A 4 -34.032 4.958 8.658 1.00 0.00 C ATOM 60 O GLY A 4 -34.623 4.185 9.412 1.00 0.00 O ATOM 0 H GLY A 4 -32.100 5.653 6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.940 3.663 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.384 3.965 7.683 1.00 0.00 H new ATOM 64 N ASN A 5 -33.947 6.267 8.842 1.00 0.00 N ATOM 65 CA ASN A 5 -34.568 6.903 9.992 1.00 0.00 C ATOM 66 C ASN A 5 -36.067 6.598 9.989 1.00 0.00 C ATOM 67 O ASN A 5 -36.672 6.429 11.047 1.00 0.00 O ATOM 68 CB ASN A 5 -34.393 8.423 9.940 1.00 0.00 C ATOM 69 CG ASN A 5 -32.913 8.804 9.917 1.00 0.00 C ATOM 70 OD1 ASN A 5 -32.051 8.029 9.535 1.00 0.00 O ATOM 71 ND2 ASN A 5 -32.666 10.038 10.346 1.00 0.00 N ATOM 0 H ASN A 5 -33.458 6.905 8.214 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.091 6.516 10.892 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -34.888 8.819 9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.876 8.878 10.805 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -31.708 10.388 10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.434 10.635 10.652 1.00 0.00 H new ATOM 78 N PHE A 6 -36.624 6.538 8.789 1.00 0.00 N ATOM 79 CA PHE A 6 -38.041 6.256 8.635 1.00 0.00 C ATOM 80 C PHE A 6 -38.399 4.896 9.237 1.00 0.00 C ATOM 81 O PHE A 6 -39.574 4.590 9.436 1.00 0.00 O ATOM 82 CB PHE A 6 -38.331 6.227 7.133 1.00 0.00 C ATOM 83 CG PHE A 6 -39.790 5.922 6.786 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.774 6.191 7.686 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.103 5.380 5.578 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.127 5.908 7.365 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.457 5.098 5.256 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.440 5.367 6.157 1.00 0.00 C ATOM 0 H PHE A 6 -36.120 6.680 7.914 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.629 7.017 9.149 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.060 7.191 6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.693 5.478 6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.525 6.620 8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.322 5.164 4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -42.908 6.122 8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.706 4.670 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.470 5.151 5.913 1.00 0.00 H new ATOM 98 N ARG A 7 -37.363 4.115 9.512 1.00 0.00 N ATOM 99 CA ARG A 7 -37.554 2.795 10.088 1.00 0.00 C ATOM 100 C ARG A 7 -38.295 2.901 11.422 1.00 0.00 C ATOM 101 O ARG A 7 -38.801 1.904 11.936 1.00 0.00 O ATOM 102 CB ARG A 7 -36.213 2.094 10.311 1.00 0.00 C ATOM 103 CG ARG A 7 -36.416 0.609 10.618 1.00 0.00 C ATOM 104 CD ARG A 7 -36.268 -0.237 9.351 1.00 0.00 C ATOM 105 NE ARG A 7 -35.858 -1.614 9.708 1.00 0.00 N ATOM 106 CZ ARG A 7 -35.902 -2.654 8.863 1.00 0.00 C ATOM 107 NH1 ARG A 7 -36.340 -2.480 7.609 1.00 0.00 N ATOM 108 NH2 ARG A 7 -35.510 -3.867 9.274 1.00 0.00 N ATOM 0 H ARG A 7 -36.390 4.372 9.346 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.146 2.208 9.386 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.589 2.204 9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.682 2.570 11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.689 0.285 11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.405 0.455 11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -37.212 -0.259 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.528 0.212 8.688 1.00 0.00 H new ATOM 0 HE ARG A 7 -35.521 -1.782 10.656 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -36.640 -1.556 7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -36.373 -3.271 6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -35.178 -3.999 10.229 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -35.543 -4.659 8.632 1.00 0.00 H new ATOM 122 N ASN A 8 -38.335 4.116 11.946 1.00 0.00 N ATOM 123 CA ASN A 8 -39.006 4.365 13.211 1.00 0.00 C ATOM 124 C ASN A 8 -40.486 4.000 13.079 1.00 0.00 C ATOM 125 O ASN A 8 -41.193 3.885 14.079 1.00 0.00 O ATOM 126 CB ASN A 8 -38.917 5.841 13.602 1.00 0.00 C ATOM 127 CG ASN A 8 -39.692 6.717 12.617 1.00 0.00 C ATOM 128 OD1 ASN A 8 -41.009 6.703 12.801 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -39.133 7.364 11.747 1.00 0.00 N flip ATOM 0 H ASN A 8 -37.913 4.940 11.518 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.518 3.760 13.975 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.315 5.979 14.607 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.873 6.152 13.627 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -38.117 7.331 11.660 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.681 7.938 11.107 1.00 0.00 H new ATOM 136 N GLN A 9 -40.912 3.828 11.836 1.00 0.00 N ATOM 137 CA GLN A 9 -42.294 3.479 11.559 1.00 0.00 C ATOM 138 C GLN A 9 -42.681 2.206 12.315 1.00 0.00 C ATOM 139 O GLN A 9 -43.839 2.032 12.693 1.00 0.00 O ATOM 140 CB GLN A 9 -42.529 3.317 10.056 1.00 0.00 C ATOM 141 CG GLN A 9 -43.953 2.832 9.774 1.00 0.00 C ATOM 142 CD GLN A 9 -44.540 3.542 8.551 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.916 3.658 7.509 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.772 4.009 8.737 1.00 0.00 N ATOM 0 H GLN A 9 -40.323 3.924 11.009 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.930 4.293 11.906 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.359 4.269 9.553 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.811 2.607 9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -43.948 1.755 9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.583 3.017 10.644 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.237 3.877 9.635 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.251 4.499 7.981 1.00 0.00 H new ATOM 153 N ARG A 10 -41.691 1.348 12.511 1.00 0.00 N ATOM 154 CA ARG A 10 -41.913 0.096 13.216 1.00 0.00 C ATOM 155 C ARG A 10 -42.521 0.363 14.594 1.00 0.00 C ATOM 156 O ARG A 10 -43.119 -0.528 15.195 1.00 0.00 O ATOM 157 CB ARG A 10 -40.606 -0.681 13.384 1.00 0.00 C ATOM 158 CG ARG A 10 -40.521 -1.834 12.382 1.00 0.00 C ATOM 159 CD ARG A 10 -39.186 -2.573 12.508 1.00 0.00 C ATOM 160 NE ARG A 10 -38.902 -3.320 11.263 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.547 -4.433 10.891 1.00 0.00 C ATOM 162 NH1 ARG A 10 -40.517 -4.937 11.666 1.00 0.00 N ATOM 163 NH2 ARG A 10 -39.221 -5.045 9.743 1.00 0.00 N ATOM 0 H ARG A 10 -40.733 1.495 12.194 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.603 -0.502 12.621 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.759 -0.009 13.244 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.539 -1.071 14.400 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -41.343 -2.529 12.552 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -40.633 -1.449 11.369 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.384 -1.862 12.706 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -39.219 -3.259 13.354 1.00 0.00 H new ATOM 0 HE ARG A 10 -38.169 -2.965 10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -40.764 -4.473 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -41.008 -5.785 11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -38.482 -4.663 9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -39.712 -5.893 9.460 1.00 0.00 H new ATOM 177 N LYS A 11 -42.347 1.592 15.054 1.00 0.00 N ATOM 178 CA LYS A 11 -42.871 1.988 16.350 1.00 0.00 C ATOM 179 C LYS A 11 -43.654 3.293 16.203 1.00 0.00 C ATOM 180 O LYS A 11 -43.528 4.194 17.031 1.00 0.00 O ATOM 181 CB LYS A 11 -41.746 2.059 17.385 1.00 0.00 C ATOM 182 CG LYS A 11 -40.857 3.281 17.144 1.00 0.00 C ATOM 183 CD LYS A 11 -40.530 3.989 18.461 1.00 0.00 C ATOM 184 CE LYS A 11 -39.229 3.455 19.061 1.00 0.00 C ATOM 185 NZ LYS A 11 -39.337 3.360 20.534 1.00 0.00 N ATOM 0 H LYS A 11 -41.850 2.328 14.552 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.569 1.238 16.723 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -42.171 2.106 18.387 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.144 1.151 17.336 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -39.934 2.973 16.654 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -41.360 3.974 16.469 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -40.442 5.062 18.289 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -41.347 3.845 19.168 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -39.005 2.474 18.643 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -38.402 4.112 18.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -38.445 2.996 20.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -39.529 4.303 20.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -40.113 2.715 20.784 1.00 0.00 H new ATOM 199 N THR A 12 -44.447 3.354 15.143 1.00 0.00 N ATOM 200 CA THR A 12 -45.251 4.535 14.877 1.00 0.00 C ATOM 201 C THR A 12 -44.429 5.580 14.118 1.00 0.00 C ATOM 202 O THR A 12 -43.227 5.711 14.342 1.00 0.00 O ATOM 203 CB THR A 12 -45.800 5.045 16.210 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.088 3.857 16.943 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.159 5.731 16.060 1.00 0.00 C ATOM 0 H THR A 12 -44.550 2.605 14.458 1.00 0.00 H new ATOM 0 HA THR A 12 -46.097 4.300 14.231 1.00 0.00 H new ATOM 0 HB THR A 12 -45.089 5.743 16.653 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.448 4.095 17.823 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.503 6.074 17.036 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.064 6.584 15.388 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.880 5.024 15.649 1.00 0.00 H new ATOM 213 N VAL A 13 -45.110 6.295 13.236 1.00 0.00 N ATOM 214 CA VAL A 13 -44.458 7.325 12.444 1.00 0.00 C ATOM 215 C VAL A 13 -45.164 8.662 12.673 1.00 0.00 C ATOM 216 O VAL A 13 -46.070 8.757 13.499 1.00 0.00 O ATOM 217 CB VAL A 13 -44.428 6.910 10.971 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.658 7.435 10.229 1.00 0.00 C ATOM 219 CG2 VAL A 13 -43.138 7.380 10.297 1.00 0.00 C ATOM 0 H VAL A 13 -46.107 6.182 13.052 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.421 7.448 12.756 1.00 0.00 H new ATOM 0 HB VAL A 13 -44.451 5.821 10.928 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.612 7.126 9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.560 7.030 10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.680 8.523 10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -43.141 7.073 9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.072 8.466 10.356 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -42.281 6.936 10.803 1.00 0.00 H new ATOM 229 N LYS A 14 -44.722 9.664 11.927 1.00 0.00 N ATOM 230 CA LYS A 14 -45.299 10.993 12.039 1.00 0.00 C ATOM 231 C LYS A 14 -45.558 11.551 10.639 1.00 0.00 C ATOM 232 O LYS A 14 -44.619 11.881 9.914 1.00 0.00 O ATOM 233 CB LYS A 14 -44.413 11.891 12.906 1.00 0.00 C ATOM 234 CG LYS A 14 -45.112 13.217 13.213 1.00 0.00 C ATOM 235 CD LYS A 14 -44.100 14.284 13.636 1.00 0.00 C ATOM 236 CE LYS A 14 -44.786 15.417 14.401 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.780 16.321 15.003 1.00 0.00 N ATOM 0 H LYS A 14 -43.971 9.582 11.242 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.262 10.949 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.171 11.379 13.837 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.470 12.083 12.393 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -45.658 13.557 12.333 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.845 13.071 14.006 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.330 13.832 14.261 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.600 14.686 12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -45.432 15.980 13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -45.424 15.002 15.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -44.263 17.084 15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -43.181 15.784 15.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.188 16.731 14.252 1.00 0.00 H new ATOM 251 N CYS A 15 -46.836 11.642 10.299 1.00 0.00 N ATOM 252 CA CYS A 15 -47.229 12.153 8.998 1.00 0.00 C ATOM 253 C CYS A 15 -46.978 13.663 8.980 1.00 0.00 C ATOM 254 O CYS A 15 -47.614 14.411 9.722 1.00 0.00 O ATOM 255 CB CYS A 15 -48.685 11.814 8.673 1.00 0.00 C ATOM 256 SG CYS A 15 -49.041 12.196 6.920 1.00 0.00 S ATOM 0 H CYS A 15 -47.612 11.370 10.903 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.631 11.676 8.221 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.874 10.759 8.869 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -49.353 12.383 9.320 1.00 0.00 H new ATOM 0 HG CYS A 15 -49.624 11.176 6.363 1.00 0.00 H new ATOM 261 N PHE A 16 -46.050 14.067 8.126 1.00 0.00 N ATOM 262 CA PHE A 16 -45.707 15.473 8.001 1.00 0.00 C ATOM 263 C PHE A 16 -46.717 16.208 7.119 1.00 0.00 C ATOM 264 O PHE A 16 -46.510 17.368 6.764 1.00 0.00 O ATOM 265 CB PHE A 16 -44.328 15.541 7.343 1.00 0.00 C ATOM 266 CG PHE A 16 -44.371 15.767 5.830 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.533 14.711 4.989 1.00 0.00 C ATOM 268 CD2 PHE A 16 -44.250 17.026 5.327 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.573 14.921 3.585 1.00 0.00 C ATOM 270 CE2 PHE A 16 -44.290 17.236 3.924 1.00 0.00 C ATOM 271 CZ PHE A 16 -44.451 16.179 3.082 1.00 0.00 C ATOM 0 H PHE A 16 -45.524 13.444 7.513 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.712 15.945 8.983 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.756 16.346 7.804 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.793 14.613 7.546 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.631 13.712 5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -44.124 17.865 5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -44.700 14.082 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -44.193 18.235 3.524 1.00 0.00 H new ATOM 0 HZ PHE A 16 -44.482 16.339 2.014 1.00 0.00 H new ATOM 281 N ASN A 17 -47.790 15.503 6.790 1.00 0.00 N ATOM 282 CA ASN A 17 -48.834 16.075 5.956 1.00 0.00 C ATOM 283 C ASN A 17 -50.069 16.359 6.814 1.00 0.00 C ATOM 284 O ASN A 17 -50.454 17.515 6.989 1.00 0.00 O ATOM 285 CB ASN A 17 -49.244 15.106 4.845 1.00 0.00 C ATOM 286 CG ASN A 17 -50.671 15.387 4.371 1.00 0.00 C ATOM 287 OD1 ASN A 17 -51.076 16.521 4.176 1.00 0.00 O ATOM 288 ND2 ASN A 17 -51.407 14.293 4.196 1.00 0.00 N ATOM 0 H ASN A 17 -47.959 14.542 7.086 1.00 0.00 H new ATOM 0 HA ASN A 17 -48.446 16.991 5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -48.554 15.196 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -49.173 14.081 5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -52.373 14.374 3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -51.005 13.373 4.378 1.00 0.00 H new ATOM 295 N CYS A 18 -50.654 15.287 7.327 1.00 0.00 N ATOM 296 CA CYS A 18 -51.836 15.407 8.162 1.00 0.00 C ATOM 297 C CYS A 18 -51.386 15.720 9.590 1.00 0.00 C ATOM 298 O CYS A 18 -52.125 16.336 10.357 1.00 0.00 O ATOM 299 CB CYS A 18 -52.703 14.148 8.100 1.00 0.00 C ATOM 300 SG CYS A 18 -51.867 12.770 8.967 1.00 0.00 S ATOM 0 H CYS A 18 -50.331 14.331 7.180 1.00 0.00 H new ATOM 0 HA CYS A 18 -52.463 16.219 7.794 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.673 14.341 8.558 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.889 13.875 7.061 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.901 12.314 8.226 1.00 0.00 H new ATOM 305 N GLY A 19 -50.176 15.281 9.904 1.00 0.00 N ATOM 306 CA GLY A 19 -49.618 15.506 11.227 1.00 0.00 C ATOM 307 C GLY A 19 -49.762 14.260 12.103 1.00 0.00 C ATOM 308 O GLY A 19 -48.880 13.954 12.904 1.00 0.00 O ATOM 0 H GLY A 19 -49.566 14.771 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.565 15.774 11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -50.123 16.348 11.700 1.00 0.00 H new ATOM 312 N LYS A 20 -50.882 13.575 11.921 1.00 0.00 N ATOM 313 CA LYS A 20 -51.153 12.368 12.684 1.00 0.00 C ATOM 314 C LYS A 20 -49.913 11.473 12.672 1.00 0.00 C ATOM 315 O LYS A 20 -48.939 11.764 11.980 1.00 0.00 O ATOM 316 CB LYS A 20 -52.416 11.679 12.164 1.00 0.00 C ATOM 317 CG LYS A 20 -53.635 12.595 12.293 1.00 0.00 C ATOM 318 CD LYS A 20 -54.905 11.785 12.554 1.00 0.00 C ATOM 319 CE LYS A 20 -56.067 12.699 12.948 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.774 13.187 11.742 1.00 0.00 N ATOM 0 H LYS A 20 -51.612 13.833 11.257 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.358 12.613 13.726 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.277 11.398 11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.588 10.759 12.722 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -53.478 13.303 13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.753 13.179 11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -55.170 11.219 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.722 11.061 13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -56.762 12.158 13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -55.693 13.545 13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -57.560 13.806 12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.112 13.721 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -57.148 12.377 11.207 1.00 0.00 H new ATOM 334 N GLU A 21 -49.989 10.400 13.446 1.00 0.00 N ATOM 335 CA GLU A 21 -48.886 9.460 13.533 1.00 0.00 C ATOM 336 C GLU A 21 -49.348 8.059 13.127 1.00 0.00 C ATOM 337 O GLU A 21 -50.542 7.761 13.160 1.00 0.00 O ATOM 338 CB GLU A 21 -48.282 9.452 14.939 1.00 0.00 C ATOM 339 CG GLU A 21 -49.377 9.389 16.006 1.00 0.00 C ATOM 340 CD GLU A 21 -48.778 9.469 17.411 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.019 10.433 17.651 1.00 0.00 O ATOM 342 OE2 GLU A 21 -49.091 8.564 18.215 1.00 0.00 O ATOM 0 H GLU A 21 -50.799 10.161 14.019 1.00 0.00 H new ATOM 0 HA GLU A 21 -48.107 9.779 12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.614 8.597 15.047 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.679 10.348 15.085 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.080 10.209 15.859 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.941 8.462 15.899 1.00 0.00 H new ATOM 349 N GLY A 22 -48.379 7.235 12.753 1.00 0.00 N ATOM 350 CA GLY A 22 -48.673 5.874 12.340 1.00 0.00 C ATOM 351 C GLY A 22 -48.332 5.663 10.864 1.00 0.00 C ATOM 352 O GLY A 22 -47.936 4.569 10.465 1.00 0.00 O ATOM 0 H GLY A 22 -47.390 7.484 12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.104 5.174 12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.728 5.659 12.507 1.00 0.00 H new ATOM 356 N HIS A 23 -48.500 6.728 10.093 1.00 0.00 N ATOM 357 CA HIS A 23 -48.215 6.672 8.669 1.00 0.00 C ATOM 358 C HIS A 23 -47.575 7.988 8.222 1.00 0.00 C ATOM 359 O HIS A 23 -47.493 8.938 9.000 1.00 0.00 O ATOM 360 CB HIS A 23 -49.477 6.328 7.876 1.00 0.00 C ATOM 361 CG HIS A 23 -50.482 7.451 7.802 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.635 7.478 8.567 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.496 8.587 7.047 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.304 8.584 8.276 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.596 9.270 7.334 1.00 0.00 N ATOM 0 H HIS A 23 -48.830 7.634 10.427 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.501 5.874 8.468 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.191 6.043 6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.952 5.458 8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.739 8.881 6.335 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.245 8.889 8.709 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.868 10.161 6.919 1.00 0.00 H new ATOM 373 N ILE A 24 -47.138 8.001 6.972 1.00 0.00 N ATOM 374 CA ILE A 24 -46.509 9.185 6.413 1.00 0.00 C ATOM 375 C ILE A 24 -47.366 9.720 5.264 1.00 0.00 C ATOM 376 O ILE A 24 -48.227 9.011 4.745 1.00 0.00 O ATOM 377 CB ILE A 24 -45.063 8.884 6.011 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.996 7.691 5.057 1.00 0.00 C ATOM 379 CG2 ILE A 24 -44.182 8.681 7.246 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.558 7.431 4.602 1.00 0.00 C ATOM 0 H ILE A 24 -47.207 7.211 6.331 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.451 9.974 7.163 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.671 9.748 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.391 6.803 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.627 7.880 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -43.160 8.469 6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -44.195 9.585 7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.563 7.844 7.831 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.539 6.577 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -43.175 8.312 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.934 7.219 5.470 1.00 0.00 H new ATOM 392 N ALA A 25 -47.102 10.967 4.901 1.00 0.00 N ATOM 393 CA ALA A 25 -47.840 11.605 3.824 1.00 0.00 C ATOM 394 C ALA A 25 -47.768 10.727 2.572 1.00 0.00 C ATOM 395 O ALA A 25 -48.740 10.624 1.826 1.00 0.00 O ATOM 396 CB ALA A 25 -47.281 13.009 3.585 1.00 0.00 C ATOM 0 H ALA A 25 -46.387 11.552 5.334 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.891 11.713 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.834 13.488 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -47.382 13.601 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -46.228 12.940 3.312 1.00 0.00 H new ATOM 402 N LYS A 26 -46.607 10.118 2.383 1.00 0.00 N ATOM 403 CA LYS A 26 -46.396 9.252 1.235 1.00 0.00 C ATOM 404 C LYS A 26 -47.653 8.414 0.995 1.00 0.00 C ATOM 405 O LYS A 26 -47.945 8.036 -0.139 1.00 0.00 O ATOM 406 CB LYS A 26 -45.126 8.419 1.420 1.00 0.00 C ATOM 407 CG LYS A 26 -45.407 6.933 1.186 1.00 0.00 C ATOM 408 CD LYS A 26 -44.135 6.100 1.361 1.00 0.00 C ATOM 409 CE LYS A 26 -42.942 6.773 0.680 1.00 0.00 C ATOM 410 NZ LYS A 26 -42.223 7.645 1.637 1.00 0.00 N ATOM 0 H LYS A 26 -45.803 10.207 3.005 1.00 0.00 H new ATOM 0 HA LYS A 26 -46.233 9.845 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.358 8.761 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.734 8.565 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -46.170 6.589 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.805 6.788 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.926 5.968 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -44.286 5.106 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.263 6.015 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -43.286 7.362 -0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -41.343 7.987 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -42.824 8.456 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -41.997 7.105 2.496 1.00 0.00 H new ATOM 424 N ASN A 27 -48.363 8.147 2.081 1.00 0.00 N ATOM 425 CA ASN A 27 -49.582 7.360 2.003 1.00 0.00 C ATOM 426 C ASN A 27 -50.537 7.796 3.116 1.00 0.00 C ATOM 427 O ASN A 27 -50.946 6.981 3.942 1.00 0.00 O ATOM 428 CB ASN A 27 -49.288 5.869 2.189 1.00 0.00 C ATOM 429 CG ASN A 27 -47.996 5.660 2.979 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.865 6.467 4.027 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -47.170 4.820 2.658 1.00 0.00 N flip ATOM 0 H ASN A 27 -48.118 8.462 3.020 1.00 0.00 H new ATOM 0 HA ASN A 27 -50.025 7.520 1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -50.118 5.393 2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -49.205 5.387 1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -47.332 4.232 1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -46.318 4.707 3.207 1.00 0.00 H new ATOM 438 N CYS A 28 -50.864 9.079 3.104 1.00 0.00 N ATOM 439 CA CYS A 28 -51.763 9.632 4.101 1.00 0.00 C ATOM 440 C CYS A 28 -53.182 9.151 3.790 1.00 0.00 C ATOM 441 O CYS A 28 -53.754 9.519 2.765 1.00 0.00 O ATOM 442 CB CYS A 28 -51.677 11.159 4.155 1.00 0.00 C ATOM 443 SG CYS A 28 -52.749 11.799 5.495 1.00 0.00 S ATOM 0 H CYS A 28 -50.522 9.752 2.418 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.471 9.281 5.091 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.645 11.468 4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.984 11.583 3.199 1.00 0.00 H new ATOM 0 HG CYS A 28 -52.030 12.031 6.553 1.00 0.00 H new ATOM 448 N ARG A 29 -53.708 8.337 4.692 1.00 0.00 N ATOM 449 CA ARG A 29 -55.048 7.801 4.526 1.00 0.00 C ATOM 450 C ARG A 29 -56.076 8.735 5.170 1.00 0.00 C ATOM 451 O ARG A 29 -57.202 8.325 5.451 1.00 0.00 O ATOM 452 CB ARG A 29 -55.168 6.412 5.155 1.00 0.00 C ATOM 453 CG ARG A 29 -54.967 6.476 6.671 1.00 0.00 C ATOM 454 CD ARG A 29 -55.689 5.323 7.369 1.00 0.00 C ATOM 455 NE ARG A 29 -56.834 5.840 8.150 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.431 5.169 9.145 1.00 0.00 C ATOM 457 NH1 ARG A 29 -56.992 3.951 9.488 1.00 0.00 N ATOM 458 NH2 ARG A 29 -58.464 5.718 9.798 1.00 0.00 N ATOM 0 H ARG A 29 -53.230 8.035 5.541 1.00 0.00 H new ATOM 0 HA ARG A 29 -55.243 7.721 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -56.149 5.992 4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -54.428 5.744 4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -53.903 6.436 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.340 7.427 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.039 4.602 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -54.998 4.796 8.027 1.00 0.00 H new ATOM 0 HE ARG A 29 -57.192 6.766 7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -56.204 3.535 8.992 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -57.446 3.440 10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -58.796 6.647 9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -58.918 5.207 10.555 1.00 0.00 H new ATOM 472 N ALA A 30 -55.652 9.972 5.384 1.00 0.00 N ATOM 473 CA ALA A 30 -56.521 10.967 5.989 1.00 0.00 C ATOM 474 C ALA A 30 -57.883 10.939 5.292 1.00 0.00 C ATOM 475 O ALA A 30 -57.977 10.583 4.119 1.00 0.00 O ATOM 476 CB ALA A 30 -55.855 12.342 5.911 1.00 0.00 C ATOM 0 H ALA A 30 -54.718 10.308 5.149 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.685 10.743 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.507 13.088 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.905 12.317 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -55.678 12.602 4.867 1.00 0.00 H new ATOM 482 N PRO A 31 -58.932 11.329 6.065 1.00 0.00 N ATOM 483 CA PRO A 31 -60.284 11.352 5.534 1.00 0.00 C ATOM 484 C PRO A 31 -60.486 12.545 4.597 1.00 0.00 C ATOM 485 O PRO A 31 -61.471 13.273 4.717 1.00 0.00 O ATOM 486 CB PRO A 31 -61.186 11.399 6.757 1.00 0.00 C ATOM 487 CG PRO A 31 -60.307 11.867 7.906 1.00 0.00 C ATOM 488 CD PRO A 31 -58.858 11.757 7.459 1.00 0.00 C ATOM 0 HA PRO A 31 -60.510 10.479 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -62.021 12.082 6.601 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -61.612 10.418 6.966 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.546 12.896 8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.480 11.257 8.792 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.341 12.712 7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.310 11.036 8.066 1.00 0.00 H new ATOM 496 N ARG A 32 -59.538 12.708 3.687 1.00 0.00 N ATOM 497 CA ARG A 32 -59.599 13.800 2.730 1.00 0.00 C ATOM 498 C ARG A 32 -58.243 13.982 2.045 1.00 0.00 C ATOM 499 O ARG A 32 -57.299 13.242 2.322 1.00 0.00 O ATOM 500 CB ARG A 32 -59.997 15.110 3.414 1.00 0.00 C ATOM 501 CG ARG A 32 -61.434 15.497 3.060 1.00 0.00 C ATOM 502 CD ARG A 32 -62.193 15.980 4.298 1.00 0.00 C ATOM 503 NE ARG A 32 -63.499 15.291 4.391 1.00 0.00 N ATOM 504 CZ ARG A 32 -64.239 15.232 5.507 1.00 0.00 C ATOM 505 NH1 ARG A 32 -63.806 15.820 6.631 1.00 0.00 N ATOM 506 NH2 ARG A 32 -65.412 14.585 5.499 1.00 0.00 N ATOM 0 H ARG A 32 -58.723 12.102 3.592 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.355 13.547 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -59.900 15.004 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -59.317 15.905 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -61.427 16.282 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -61.948 14.640 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -61.605 15.785 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -62.344 17.058 4.244 1.00 0.00 H new ATOM 0 HE ARG A 32 -63.859 14.832 3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -62.913 16.313 6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -64.370 15.775 7.480 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -65.742 14.137 4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -65.975 14.540 6.348 1.00 0.00 H new ATOM 520 N LYS A 33 -58.188 14.970 1.164 1.00 0.00 N ATOM 521 CA LYS A 33 -56.963 15.259 0.438 1.00 0.00 C ATOM 522 C LYS A 33 -56.132 16.271 1.229 1.00 0.00 C ATOM 523 O LYS A 33 -55.239 16.912 0.678 1.00 0.00 O ATOM 524 CB LYS A 33 -57.280 15.706 -0.991 1.00 0.00 C ATOM 525 CG LYS A 33 -56.589 14.803 -2.013 1.00 0.00 C ATOM 526 CD LYS A 33 -57.580 13.815 -2.632 1.00 0.00 C ATOM 527 CE LYS A 33 -58.561 14.532 -3.562 1.00 0.00 C ATOM 528 NZ LYS A 33 -58.462 13.991 -4.936 1.00 0.00 N ATOM 0 H LYS A 33 -58.973 15.581 0.936 1.00 0.00 H new ATOM 0 HA LYS A 33 -56.358 14.358 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -58.358 15.685 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -56.956 16.737 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -56.140 15.413 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -55.778 14.256 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -57.037 13.051 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -58.130 13.303 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -59.578 14.412 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -58.349 15.601 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -59.134 14.488 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -57.495 14.128 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -58.687 12.976 -4.926 1.00 0.00 H new ATOM 542 N LYS A 34 -56.456 16.382 2.509 1.00 0.00 N ATOM 543 CA LYS A 34 -55.751 17.305 3.382 1.00 0.00 C ATOM 544 C LYS A 34 -56.021 18.740 2.924 1.00 0.00 C ATOM 545 O LYS A 34 -56.831 18.967 2.028 1.00 0.00 O ATOM 546 CB LYS A 34 -54.264 16.950 3.448 1.00 0.00 C ATOM 547 CG LYS A 34 -53.838 16.641 4.885 1.00 0.00 C ATOM 548 CD LYS A 34 -53.352 17.905 5.597 1.00 0.00 C ATOM 549 CE LYS A 34 -54.467 18.516 6.449 1.00 0.00 C ATOM 550 NZ LYS A 34 -54.344 19.991 6.482 1.00 0.00 N ATOM 0 H LYS A 34 -57.197 15.848 2.962 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.121 17.221 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -54.064 16.088 2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -53.671 17.778 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -54.677 16.211 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -53.044 15.894 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -52.497 17.665 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -53.011 18.633 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -55.439 18.235 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -54.418 18.118 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -55.288 20.420 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -53.906 20.283 7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -53.752 20.308 5.688 1.00 0.00 H new ATOM 564 N GLY A 35 -55.324 19.671 3.561 1.00 0.00 N ATOM 565 CA GLY A 35 -55.479 21.077 3.230 1.00 0.00 C ATOM 566 C GLY A 35 -54.203 21.859 3.553 1.00 0.00 C ATOM 567 O GLY A 35 -53.203 21.278 3.969 1.00 0.00 O ATOM 0 H GLY A 35 -54.652 19.479 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -55.716 21.181 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -56.317 21.495 3.787 1.00 0.00 H new ATOM 571 N CYS A 36 -54.282 23.166 3.347 1.00 0.00 N ATOM 572 CA CYS A 36 -53.146 24.034 3.611 1.00 0.00 C ATOM 573 C CYS A 36 -52.794 23.926 5.096 1.00 0.00 C ATOM 574 O CYS A 36 -53.639 24.167 5.958 1.00 0.00 O ATOM 575 CB CYS A 36 -53.430 25.478 3.195 1.00 0.00 C ATOM 576 SG CYS A 36 -51.961 26.521 3.515 1.00 0.00 S ATOM 0 H CYS A 36 -55.114 23.644 3.001 1.00 0.00 H new ATOM 0 HA CYS A 36 -52.293 23.714 3.013 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -53.690 25.516 2.137 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -54.287 25.863 3.748 1.00 0.00 H new ATOM 0 HG CYS A 36 -52.283 27.774 3.389 1.00 0.00 H new ATOM 581 N TRP A 37 -51.545 23.563 5.350 1.00 0.00 N ATOM 582 CA TRP A 37 -51.071 23.420 6.716 1.00 0.00 C ATOM 583 C TRP A 37 -50.969 24.818 7.330 1.00 0.00 C ATOM 584 O TRP A 37 -50.683 24.960 8.518 1.00 0.00 O ATOM 585 CB TRP A 37 -49.749 22.651 6.760 1.00 0.00 C ATOM 586 CG TRP A 37 -49.761 21.347 5.959 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.803 20.541 5.709 1.00 0.00 C ATOM 588 CD2 TRP A 37 -48.632 20.729 5.305 1.00 0.00 C ATOM 589 NE1 TRP A 37 -50.429 19.453 4.948 1.00 0.00 N ATOM 590 CE2 TRP A 37 -49.067 19.572 4.694 1.00 0.00 C ATOM 591 CE3 TRP A 37 -47.289 21.135 5.235 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -48.222 18.724 3.969 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -46.456 20.278 4.506 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.877 19.108 3.884 1.00 0.00 C ATOM 0 H TRP A 37 -50.847 23.364 4.633 1.00 0.00 H new ATOM 0 HA TRP A 37 -51.771 22.830 7.307 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -48.954 23.292 6.379 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -49.506 22.425 7.798 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -51.809 20.721 6.059 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -51.039 18.700 4.630 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -46.928 22.037 5.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -48.587 17.822 3.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -45.413 20.544 4.421 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.172 18.499 3.339 1.00 0.00 H new ATOM 605 N LYS A 38 -51.209 25.816 6.492 1.00 0.00 N ATOM 606 CA LYS A 38 -51.147 27.199 6.937 1.00 0.00 C ATOM 607 C LYS A 38 -52.528 27.632 7.431 1.00 0.00 C ATOM 608 O LYS A 38 -52.760 27.721 8.636 1.00 0.00 O ATOM 609 CB LYS A 38 -50.580 28.092 5.832 1.00 0.00 C ATOM 610 CG LYS A 38 -49.585 29.105 6.403 1.00 0.00 C ATOM 611 CD LYS A 38 -48.974 29.958 5.291 1.00 0.00 C ATOM 612 CE LYS A 38 -47.460 30.089 5.470 1.00 0.00 C ATOM 613 NZ LYS A 38 -46.835 30.621 4.238 1.00 0.00 N ATOM 0 H LYS A 38 -51.447 25.695 5.507 1.00 0.00 H new ATOM 0 HA LYS A 38 -50.461 27.299 7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -50.087 27.477 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -51.393 28.618 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -50.089 29.748 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.795 28.581 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -49.192 29.509 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -49.431 30.947 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.243 30.750 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.031 29.116 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -45.808 30.703 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -47.026 29.976 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -47.232 31.558 4.025 1.00 0.00 H new ATOM 627 N CYS A 39 -53.409 27.889 6.477 1.00 0.00 N ATOM 628 CA CYS A 39 -54.762 28.312 6.800 1.00 0.00 C ATOM 629 C CYS A 39 -55.487 27.138 7.461 1.00 0.00 C ATOM 630 O CYS A 39 -56.150 27.309 8.482 1.00 0.00 O ATOM 631 CB CYS A 39 -55.507 28.819 5.564 1.00 0.00 C ATOM 632 SG CYS A 39 -55.908 27.419 4.456 1.00 0.00 S ATOM 0 H CYS A 39 -53.213 27.813 5.479 1.00 0.00 H new ATOM 0 HA CYS A 39 -54.727 29.153 7.492 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -56.422 29.329 5.865 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -54.895 29.549 5.034 1.00 0.00 H new ATOM 0 HG CYS A 39 -55.386 27.630 3.284 1.00 0.00 H new ATOM 637 N GLY A 40 -55.333 25.971 6.852 1.00 0.00 N ATOM 638 CA GLY A 40 -55.965 24.769 7.370 1.00 0.00 C ATOM 639 C GLY A 40 -57.276 24.479 6.636 1.00 0.00 C ATOM 640 O GLY A 40 -58.279 24.138 7.260 1.00 0.00 O ATOM 0 H GLY A 40 -54.781 25.832 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.288 23.922 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.159 24.886 8.436 1.00 0.00 H new ATOM 644 N LYS A 41 -57.225 24.625 5.319 1.00 0.00 N ATOM 645 CA LYS A 41 -58.396 24.384 4.494 1.00 0.00 C ATOM 646 C LYS A 41 -58.109 23.226 3.536 1.00 0.00 C ATOM 647 O LYS A 41 -57.120 23.249 2.805 1.00 0.00 O ATOM 648 CB LYS A 41 -58.830 25.671 3.789 1.00 0.00 C ATOM 649 CG LYS A 41 -60.312 25.958 4.036 1.00 0.00 C ATOM 650 CD LYS A 41 -60.842 26.994 3.042 1.00 0.00 C ATOM 651 CE LYS A 41 -61.729 28.024 3.745 1.00 0.00 C ATOM 652 NZ LYS A 41 -61.353 29.396 3.335 1.00 0.00 N ATOM 0 H LYS A 41 -56.391 24.907 4.804 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.243 24.086 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -58.229 26.507 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.646 25.583 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.885 25.035 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -60.451 26.321 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -60.006 27.499 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -61.411 26.494 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -62.775 27.839 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -61.630 27.921 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -61.964 30.083 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -60.361 29.575 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -61.470 29.495 2.306 1.00 0.00 H new ATOM 666 N GLU A 42 -58.993 22.239 3.571 1.00 0.00 N ATOM 667 CA GLU A 42 -58.846 21.073 2.715 1.00 0.00 C ATOM 668 C GLU A 42 -59.185 21.432 1.267 1.00 0.00 C ATOM 669 O GLU A 42 -60.040 22.281 1.018 1.00 0.00 O ATOM 670 CB GLU A 42 -59.717 19.917 3.211 1.00 0.00 C ATOM 671 CG GLU A 42 -61.203 20.264 3.106 1.00 0.00 C ATOM 672 CD GLU A 42 -61.804 20.524 4.489 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.212 19.530 5.127 1.00 0.00 O ATOM 674 OE2 GLU A 42 -61.843 21.713 4.876 1.00 0.00 O ATOM 0 H GLU A 42 -59.813 22.223 4.178 1.00 0.00 H new ATOM 0 HA GLU A 42 -57.807 20.746 2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -59.507 19.022 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -59.466 19.687 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -61.331 21.146 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -61.738 19.447 2.621 1.00 0.00 H new ATOM 681 N GLY A 43 -58.497 20.768 0.350 1.00 0.00 N ATOM 682 CA GLY A 43 -58.713 21.007 -1.067 1.00 0.00 C ATOM 683 C GLY A 43 -57.524 21.742 -1.687 1.00 0.00 C ATOM 684 O GLY A 43 -57.246 21.588 -2.876 1.00 0.00 O ATOM 0 H GLY A 43 -57.789 20.064 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -58.866 20.058 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -59.621 21.594 -1.206 1.00 0.00 H new ATOM 688 N HIS A 44 -56.853 22.526 -0.855 1.00 0.00 N ATOM 689 CA HIS A 44 -55.701 23.285 -1.307 1.00 0.00 C ATOM 690 C HIS A 44 -54.545 23.100 -0.320 1.00 0.00 C ATOM 691 O HIS A 44 -54.759 22.705 0.825 1.00 0.00 O ATOM 692 CB HIS A 44 -56.068 24.754 -1.520 1.00 0.00 C ATOM 693 CG HIS A 44 -55.985 25.597 -0.270 1.00 0.00 C ATOM 694 ND1 HIS A 44 -57.077 25.838 0.545 1.00 0.00 N ATOM 695 CD2 HIS A 44 -54.930 26.250 0.297 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.686 26.604 1.554 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.356 26.858 1.398 1.00 0.00 N ATOM 0 H HIS A 44 -57.086 22.651 0.130 1.00 0.00 H new ATOM 0 HA HIS A 44 -55.371 22.909 -2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.406 25.177 -2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.082 24.810 -1.917 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -58.022 25.486 0.395 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -53.920 26.269 -0.085 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -57.311 26.963 2.358 1.00 0.00 H new ATOM 705 N GLN A 45 -53.346 23.394 -0.802 1.00 0.00 N ATOM 706 CA GLN A 45 -52.157 23.264 0.023 1.00 0.00 C ATOM 707 C GLN A 45 -51.448 24.615 0.147 1.00 0.00 C ATOM 708 O GLN A 45 -51.872 25.601 -0.454 1.00 0.00 O ATOM 709 CB GLN A 45 -51.213 22.200 -0.539 1.00 0.00 C ATOM 710 CG GLN A 45 -50.861 22.493 -1.999 1.00 0.00 C ATOM 711 CD GLN A 45 -49.355 22.367 -2.235 1.00 0.00 C ATOM 712 OE1 GLN A 45 -48.537 22.712 -1.398 1.00 0.00 O ATOM 713 NE2 GLN A 45 -49.035 21.852 -3.420 1.00 0.00 N ATOM 0 H GLN A 45 -53.173 23.721 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 45 -52.462 22.942 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -50.302 22.165 0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -51.681 21.218 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -51.394 21.801 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.191 23.498 -2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -49.770 21.584 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -48.055 21.726 -3.673 1.00 0.00 H new ATOM 722 N MET A 46 -50.380 24.616 0.931 1.00 0.00 N ATOM 723 CA MET A 46 -49.607 25.829 1.141 1.00 0.00 C ATOM 724 C MET A 46 -49.160 26.433 -0.192 1.00 0.00 C ATOM 725 O MET A 46 -49.341 27.627 -0.428 1.00 0.00 O ATOM 726 CB MET A 46 -48.378 25.510 1.996 1.00 0.00 C ATOM 727 CG MET A 46 -48.777 25.239 3.448 1.00 0.00 C ATOM 728 SD MET A 46 -47.327 24.853 4.415 1.00 0.00 S ATOM 729 CE MET A 46 -46.805 23.351 3.605 1.00 0.00 C ATOM 0 H MET A 46 -50.032 23.797 1.428 1.00 0.00 H new ATOM 0 HA MET A 46 -50.238 26.555 1.653 1.00 0.00 H new ATOM 0 HB2 MET A 46 -47.862 24.641 1.588 1.00 0.00 H new ATOM 0 HB3 MET A 46 -47.677 26.344 1.957 1.00 0.00 H new ATOM 0 HG2 MET A 46 -49.281 26.111 3.865 1.00 0.00 H new ATOM 0 HG3 MET A 46 -49.485 24.411 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 46 -46.122 22.805 4.256 1.00 0.00 H new ATOM 0 HE2 MET A 46 -47.676 22.731 3.392 1.00 0.00 H new ATOM 0 HE3 MET A 46 -46.298 23.598 2.672 1.00 0.00 H new ATOM 739 N LYS A 47 -48.585 25.580 -1.027 1.00 0.00 N ATOM 740 CA LYS A 47 -48.111 26.014 -2.330 1.00 0.00 C ATOM 741 C LYS A 47 -49.279 26.605 -3.123 1.00 0.00 C ATOM 742 O LYS A 47 -49.072 27.296 -4.119 1.00 0.00 O ATOM 743 CB LYS A 47 -47.397 24.869 -3.051 1.00 0.00 C ATOM 744 CG LYS A 47 -46.247 25.394 -3.912 1.00 0.00 C ATOM 745 CD LYS A 47 -44.974 25.567 -3.081 1.00 0.00 C ATOM 746 CE LYS A 47 -43.861 24.648 -3.588 1.00 0.00 C ATOM 747 NZ LYS A 47 -44.235 23.228 -3.402 1.00 0.00 N ATOM 0 H LYS A 47 -48.437 24.591 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.367 26.803 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -47.013 24.158 -2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.108 24.330 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.058 24.703 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -46.528 26.349 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -44.643 26.605 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -45.185 25.346 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -43.671 24.845 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -42.935 24.859 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -43.388 22.631 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -44.651 23.099 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -44.929 22.954 -4.127 1.00 0.00 H new ATOM 761 N ASP A 48 -50.482 26.313 -2.650 1.00 0.00 N ATOM 762 CA ASP A 48 -51.683 26.806 -3.302 1.00 0.00 C ATOM 763 C ASP A 48 -52.612 27.419 -2.252 1.00 0.00 C ATOM 764 O ASP A 48 -53.823 27.207 -2.290 1.00 0.00 O ATOM 765 CB ASP A 48 -52.438 25.672 -3.997 1.00 0.00 C ATOM 766 CG ASP A 48 -51.860 25.242 -5.347 1.00 0.00 C ATOM 767 OD1 ASP A 48 -51.506 26.151 -6.128 1.00 0.00 O ATOM 768 OD2 ASP A 48 -51.786 24.014 -5.567 1.00 0.00 O ATOM 0 H ASP A 48 -50.650 25.741 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.384 27.547 -4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -52.455 24.807 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.473 25.981 -4.144 1.00 0.00 H new ATOM 773 N CYS A 49 -52.010 28.169 -1.340 1.00 0.00 N ATOM 774 CA CYS A 49 -52.768 28.814 -0.282 1.00 0.00 C ATOM 775 C CYS A 49 -53.133 30.226 -0.745 1.00 0.00 C ATOM 776 O CYS A 49 -52.254 31.066 -0.936 1.00 0.00 O ATOM 777 CB CYS A 49 -51.997 28.828 1.039 1.00 0.00 C ATOM 778 SG CYS A 49 -53.056 29.493 2.375 1.00 0.00 S ATOM 0 H CYS A 49 -51.006 28.344 -1.312 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.680 28.249 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.671 27.819 1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -51.099 29.437 0.939 1.00 0.00 H new ATOM 0 HG CYS A 49 -54.227 28.930 2.321 1.00 0.00 H new ATOM 783 N THR A 50 -54.428 30.444 -0.911 1.00 0.00 N ATOM 784 CA THR A 50 -54.919 31.741 -1.348 1.00 0.00 C ATOM 785 C THR A 50 -55.208 32.635 -0.142 1.00 0.00 C ATOM 786 O THR A 50 -55.676 33.762 -0.299 1.00 0.00 O ATOM 787 CB THR A 50 -56.141 31.507 -2.239 1.00 0.00 C ATOM 788 OG1 THR A 50 -56.809 32.766 -2.248 1.00 0.00 O ATOM 789 CG2 THR A 50 -57.153 30.551 -1.606 1.00 0.00 C ATOM 0 H THR A 50 -55.153 29.745 -0.751 1.00 0.00 H new ATOM 0 HA THR A 50 -54.169 32.272 -1.934 1.00 0.00 H new ATOM 0 HB THR A 50 -55.819 31.108 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.183 33.470 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 50 -58.000 30.420 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.679 29.586 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 50 -57.502 30.965 -0.660 1.00 0.00 H new ATOM 797 N GLU A 51 -54.918 32.100 1.034 1.00 0.00 N ATOM 798 CA GLU A 51 -55.141 32.836 2.267 1.00 0.00 C ATOM 799 C GLU A 51 -53.832 32.976 3.047 1.00 0.00 C ATOM 800 O GLU A 51 -53.712 32.472 4.162 1.00 0.00 O ATOM 801 CB GLU A 51 -56.217 32.162 3.121 1.00 0.00 C ATOM 802 CG GLU A 51 -57.032 33.200 3.895 1.00 0.00 C ATOM 803 CD GLU A 51 -58.534 32.972 3.703 1.00 0.00 C ATOM 804 OE1 GLU A 51 -58.975 31.836 3.982 1.00 0.00 O ATOM 805 OE2 GLU A 51 -59.205 33.938 3.281 1.00 0.00 O ATOM 0 H GLU A 51 -54.530 31.165 1.160 1.00 0.00 H new ATOM 0 HA GLU A 51 -55.498 33.834 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -56.879 31.577 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -55.750 31.467 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -56.785 33.145 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -56.766 34.202 3.557 1.00 0.00 H new