USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=11 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 175:sc= -0.174 USER MOD Set 1.2: A 39 CYS SG : rot -72:sc= -3.02 USER MOD Set 1.3: A 44 HIS :FLIP no HE2:sc= -6.42! C(o=-11!,f=-9.2!) USER MOD Set 1.4: A 49 CYS SG : rot 180:sc= 0.371 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -167:sc= -2.17! (180deg=-2.19!) USER MOD Set 2.2: A 27 ASN : amide:sc= -8.23! C(o=-10!,f=-21!) USER MOD Set 3.1: A 15 CYS SG : rot 149:sc= -2.06! USER MOD Set 3.2: A 18 CYS SG : rot -71:sc= -1.47 USER MOD Set 3.3: A 23 HIS : no HD1:sc= -3.08! C(o=-6.2!,f=-15!) USER MOD Set 3.4: A 28 CYS SG : rot -170:sc= 0.427 USER MOD Single : A 2 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.7!) USER MOD Single : A 3 LYS NZ :NH3+ -145:sc= -0.0283 (180deg=-0.701) USER MOD Single : A 5 ASN : amide:sc= -5.23 K(o=-5.2,f=-12!) USER MOD Single : A 8 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.26) USER MOD Single : A 9 GLN : amide:sc= 0.316 K(o=0.32,f=-1.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.783! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -3.93! C(o=-3.9!,f=-9.2!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0338 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -30.951 10.311 8.053 1.00 0.00 N ATOM 19 CA GLN A 2 -30.770 9.208 7.124 1.00 0.00 C ATOM 20 C GLN A 2 -32.126 8.621 6.726 1.00 0.00 C ATOM 21 O GLN A 2 -33.089 8.704 7.486 1.00 0.00 O ATOM 22 CB GLN A 2 -29.860 8.133 7.722 1.00 0.00 C ATOM 23 CG GLN A 2 -28.409 8.338 7.285 1.00 0.00 C ATOM 24 CD GLN A 2 -27.598 9.031 8.383 1.00 0.00 C ATOM 25 OE1 GLN A 2 -28.006 9.116 9.530 1.00 0.00 O ATOM 26 NE2 GLN A 2 -26.433 9.518 7.968 1.00 0.00 N ATOM 0 HA GLN A 2 -30.285 9.590 6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -29.923 8.162 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.202 7.147 7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -27.957 7.375 7.047 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -28.381 8.936 6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -26.154 9.411 6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -25.818 9.998 8.625 1.00 0.00 H new ATOM 35 N LYS A 3 -32.157 8.039 5.536 1.00 0.00 N ATOM 36 CA LYS A 3 -33.378 7.438 5.029 1.00 0.00 C ATOM 37 C LYS A 3 -33.807 6.301 5.958 1.00 0.00 C ATOM 38 O LYS A 3 -34.998 6.090 6.179 1.00 0.00 O ATOM 39 CB LYS A 3 -33.198 7.006 3.571 1.00 0.00 C ATOM 40 CG LYS A 3 -32.164 5.885 3.456 1.00 0.00 C ATOM 41 CD LYS A 3 -31.694 5.720 2.009 1.00 0.00 C ATOM 42 CE LYS A 3 -30.541 6.675 1.694 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.043 7.880 0.994 1.00 0.00 N ATOM 0 H LYS A 3 -31.356 7.971 4.909 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.187 8.168 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -34.153 6.668 3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -32.883 7.860 2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.310 6.106 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -32.596 4.949 3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.375 4.691 1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.525 5.910 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.039 6.966 2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -29.801 6.169 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.337 8.198 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.931 7.652 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.214 8.637 1.686 1.00 0.00 H new ATOM 57 N GLY A 4 -32.810 5.596 6.476 1.00 0.00 N ATOM 58 CA GLY A 4 -33.070 4.486 7.376 1.00 0.00 C ATOM 59 C GLY A 4 -33.851 4.949 8.608 1.00 0.00 C ATOM 60 O GLY A 4 -34.472 4.138 9.294 1.00 0.00 O ATOM 0 H GLY A 4 -31.823 5.772 6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.634 3.714 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.127 4.037 7.687 1.00 0.00 H new ATOM 64 N ASN A 5 -33.795 6.250 8.850 1.00 0.00 N ATOM 65 CA ASN A 5 -34.490 6.829 9.987 1.00 0.00 C ATOM 66 C ASN A 5 -35.981 6.506 9.887 1.00 0.00 C ATOM 67 O ASN A 5 -36.637 6.264 10.899 1.00 0.00 O ATOM 68 CB ASN A 5 -34.337 8.352 10.008 1.00 0.00 C ATOM 69 CG ASN A 5 -32.891 8.754 10.310 1.00 0.00 C ATOM 70 OD1 ASN A 5 -31.964 8.429 9.586 1.00 0.00 O ATOM 71 ND2 ASN A 5 -32.752 9.476 11.419 1.00 0.00 N ATOM 0 H ASN A 5 -33.279 6.919 8.279 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.058 6.410 10.895 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -34.640 8.765 9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -35.001 8.777 10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -31.827 9.793 11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.571 9.713 11.979 1.00 0.00 H new ATOM 78 N PHE A 6 -36.474 6.512 8.657 1.00 0.00 N ATOM 79 CA PHE A 6 -37.876 6.221 8.412 1.00 0.00 C ATOM 80 C PHE A 6 -38.239 4.816 8.896 1.00 0.00 C ATOM 81 O PHE A 6 -39.416 4.476 9.001 1.00 0.00 O ATOM 82 CB PHE A 6 -38.091 6.298 6.898 1.00 0.00 C ATOM 83 CG PHE A 6 -39.487 5.866 6.445 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.573 6.166 7.208 1.00 0.00 C ATOM 85 CD2 PHE A 6 -39.642 5.183 5.280 1.00 0.00 C ATOM 86 CE1 PHE A 6 -41.868 5.765 6.787 1.00 0.00 C ATOM 87 CE2 PHE A 6 -40.938 4.782 4.859 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.023 5.081 5.621 1.00 0.00 C ATOM 0 H PHE A 6 -35.927 6.714 7.820 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.502 6.933 8.949 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -37.914 7.322 6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.349 5.670 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.450 6.709 8.133 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -38.780 4.945 4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -42.730 6.003 7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.061 4.239 3.933 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.008 4.776 5.301 1.00 0.00 H new ATOM 98 N ARG A 7 -37.204 4.037 9.176 1.00 0.00 N ATOM 99 CA ARG A 7 -37.399 2.676 9.647 1.00 0.00 C ATOM 100 C ARG A 7 -38.167 2.677 10.970 1.00 0.00 C ATOM 101 O ARG A 7 -38.643 1.634 11.415 1.00 0.00 O ATOM 102 CB ARG A 7 -36.059 1.965 9.844 1.00 0.00 C ATOM 103 CG ARG A 7 -36.258 0.459 10.021 1.00 0.00 C ATOM 104 CD ARG A 7 -35.000 -0.313 9.616 1.00 0.00 C ATOM 105 NE ARG A 7 -34.904 -1.568 10.394 1.00 0.00 N ATOM 106 CZ ARG A 7 -35.504 -2.715 10.046 1.00 0.00 C ATOM 107 NH1 ARG A 7 -36.248 -2.772 8.933 1.00 0.00 N ATOM 108 NH2 ARG A 7 -35.362 -3.805 10.812 1.00 0.00 N ATOM 0 H ARG A 7 -36.229 4.322 9.086 1.00 0.00 H new ATOM 0 HA ARG A 7 -37.973 2.142 8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.415 2.152 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.552 2.374 10.718 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -36.504 0.241 11.060 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.103 0.127 9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.029 -0.538 8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -34.116 0.300 9.789 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.347 -1.560 11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -36.358 -1.942 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -36.704 -3.645 8.669 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -34.797 -3.762 11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -35.819 -4.678 10.547 1.00 0.00 H new ATOM 122 N ASN A 8 -38.264 3.858 11.561 1.00 0.00 N ATOM 123 CA ASN A 8 -38.967 4.008 12.823 1.00 0.00 C ATOM 124 C ASN A 8 -40.419 3.559 12.651 1.00 0.00 C ATOM 125 O ASN A 8 -41.123 3.327 13.633 1.00 0.00 O ATOM 126 CB ASN A 8 -38.974 5.468 13.280 1.00 0.00 C ATOM 127 CG ASN A 8 -39.301 5.575 14.772 1.00 0.00 C ATOM 128 OD1 ASN A 8 -38.429 5.689 15.617 1.00 0.00 O ATOM 129 ND2 ASN A 8 -40.601 5.530 15.045 1.00 0.00 N ATOM 0 H ASN A 8 -37.867 4.721 11.189 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.454 3.400 13.568 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.001 5.919 13.084 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -39.708 6.030 12.702 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -40.922 5.592 16.011 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -41.278 5.433 14.288 1.00 0.00 H new ATOM 136 N GLN A 9 -40.826 3.450 11.395 1.00 0.00 N ATOM 137 CA GLN A 9 -42.182 3.034 11.080 1.00 0.00 C ATOM 138 C GLN A 9 -42.489 1.686 11.736 1.00 0.00 C ATOM 139 O GLN A 9 -43.644 1.386 12.037 1.00 0.00 O ATOM 140 CB GLN A 9 -42.399 2.969 9.567 1.00 0.00 C ATOM 141 CG GLN A 9 -43.849 3.299 9.205 1.00 0.00 C ATOM 142 CD GLN A 9 -44.514 2.125 8.483 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.874 1.329 7.817 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.832 2.064 8.652 1.00 0.00 N ATOM 0 H GLN A 9 -40.240 3.643 10.583 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.871 3.777 11.481 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -41.728 3.669 9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.147 1.973 9.203 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.408 3.538 10.110 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -43.877 4.184 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.306 2.764 9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.369 1.317 8.210 1.00 0.00 H new ATOM 153 N ARG A 10 -41.435 0.909 11.940 1.00 0.00 N ATOM 154 CA ARG A 10 -41.578 -0.399 12.555 1.00 0.00 C ATOM 155 C ARG A 10 -42.276 -0.275 13.911 1.00 0.00 C ATOM 156 O ARG A 10 -42.866 -1.237 14.400 1.00 0.00 O ATOM 157 CB ARG A 10 -40.215 -1.067 12.750 1.00 0.00 C ATOM 158 CG ARG A 10 -40.344 -2.591 12.728 1.00 0.00 C ATOM 159 CD ARG A 10 -38.967 -3.258 12.696 1.00 0.00 C ATOM 160 NE ARG A 10 -38.706 -3.942 13.982 1.00 0.00 N ATOM 161 CZ ARG A 10 -38.189 -3.340 15.062 1.00 0.00 C ATOM 162 NH1 ARG A 10 -37.875 -2.038 15.018 1.00 0.00 N ATOM 163 NH2 ARG A 10 -37.987 -4.041 16.186 1.00 0.00 N ATOM 0 H ARG A 10 -40.479 1.161 11.690 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.181 -1.015 11.888 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.532 -0.745 11.964 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -39.782 -0.749 13.698 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -40.894 -2.926 13.608 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -40.921 -2.898 11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.920 -3.976 11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -38.196 -2.511 12.509 1.00 0.00 H new ATOM 0 HE ARG A 10 -38.934 -4.934 14.051 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -38.029 -1.505 14.162 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -37.482 -1.580 15.840 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -38.227 -5.032 16.219 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -37.594 -3.584 17.008 1.00 0.00 H new ATOM 177 N LYS A 11 -42.185 0.918 14.481 1.00 0.00 N ATOM 178 CA LYS A 11 -42.801 1.181 15.770 1.00 0.00 C ATOM 179 C LYS A 11 -43.601 2.482 15.693 1.00 0.00 C ATOM 180 O LYS A 11 -43.573 3.288 16.622 1.00 0.00 O ATOM 181 CB LYS A 11 -41.747 1.172 16.878 1.00 0.00 C ATOM 182 CG LYS A 11 -41.753 -0.161 17.630 1.00 0.00 C ATOM 183 CD LYS A 11 -43.011 -0.299 18.491 1.00 0.00 C ATOM 184 CE LYS A 11 -43.487 -1.752 18.537 1.00 0.00 C ATOM 185 NZ LYS A 11 -44.376 -1.970 19.699 1.00 0.00 N ATOM 0 H LYS A 11 -41.694 1.713 14.073 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.505 0.389 16.024 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.761 1.347 16.448 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.940 1.988 17.575 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -41.703 -0.985 16.918 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -40.867 -0.231 18.261 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -42.804 0.052 19.502 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -43.802 0.334 18.089 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -44.016 -1.997 17.616 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -42.628 -2.420 18.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -44.690 -2.961 19.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -43.860 -1.756 20.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -45.205 -1.346 19.624 1.00 0.00 H new ATOM 199 N THR A 12 -44.296 2.646 14.577 1.00 0.00 N ATOM 200 CA THR A 12 -45.103 3.837 14.367 1.00 0.00 C ATOM 201 C THR A 12 -44.233 4.988 13.857 1.00 0.00 C ATOM 202 O THR A 12 -43.249 5.357 14.496 1.00 0.00 O ATOM 203 CB THR A 12 -45.826 4.156 15.677 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.184 2.878 16.196 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.168 4.855 15.450 1.00 0.00 C ATOM 0 H THR A 12 -44.317 1.975 13.809 1.00 0.00 H new ATOM 0 HA THR A 12 -45.855 3.673 13.596 1.00 0.00 H new ATOM 0 HB THR A 12 -45.189 4.786 16.299 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.656 2.991 17.047 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.639 5.059 16.411 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.004 5.793 14.920 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.818 4.212 14.857 1.00 0.00 H new ATOM 213 N VAL A 13 -44.627 5.523 12.710 1.00 0.00 N ATOM 214 CA VAL A 13 -43.896 6.624 12.108 1.00 0.00 C ATOM 215 C VAL A 13 -44.578 7.944 12.474 1.00 0.00 C ATOM 216 O VAL A 13 -45.533 7.959 13.248 1.00 0.00 O ATOM 217 CB VAL A 13 -43.779 6.410 10.597 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.064 6.835 9.883 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.565 7.150 10.031 1.00 0.00 C ATOM 0 H VAL A 13 -45.443 5.214 12.182 1.00 0.00 H new ATOM 0 HA VAL A 13 -42.879 6.665 12.497 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.634 5.345 10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -44.955 6.673 8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -45.900 6.244 10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.253 7.891 10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.505 6.981 8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.666 8.218 10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.658 6.779 10.508 1.00 0.00 H new ATOM 229 N LYS A 14 -44.059 9.020 11.900 1.00 0.00 N ATOM 230 CA LYS A 14 -44.606 10.341 12.156 1.00 0.00 C ATOM 231 C LYS A 14 -44.954 11.012 10.825 1.00 0.00 C ATOM 232 O LYS A 14 -44.064 11.401 10.071 1.00 0.00 O ATOM 233 CB LYS A 14 -43.647 11.159 13.024 1.00 0.00 C ATOM 234 CG LYS A 14 -44.405 12.207 13.841 1.00 0.00 C ATOM 235 CD LYS A 14 -43.613 12.611 15.086 1.00 0.00 C ATOM 236 CE LYS A 14 -44.504 12.601 16.329 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.930 13.464 17.385 1.00 0.00 N ATOM 0 H LYS A 14 -43.266 9.003 11.259 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.531 10.265 12.727 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.101 10.495 13.694 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.908 11.651 12.391 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.594 13.086 13.225 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.376 11.810 14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -42.777 11.926 15.228 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.190 13.606 14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -45.504 12.950 16.070 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -44.608 11.582 16.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -44.547 13.446 18.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -42.985 13.114 17.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.853 14.439 17.033 1.00 0.00 H new ATOM 251 N CYS A 15 -46.250 11.124 10.576 1.00 0.00 N ATOM 252 CA CYS A 15 -46.726 11.740 9.350 1.00 0.00 C ATOM 253 C CYS A 15 -46.437 13.241 9.421 1.00 0.00 C ATOM 254 O CYS A 15 -46.988 13.943 10.268 1.00 0.00 O ATOM 255 CB CYS A 15 -48.211 11.456 9.114 1.00 0.00 C ATOM 256 SG CYS A 15 -48.692 11.997 7.433 1.00 0.00 S ATOM 0 H CYS A 15 -46.986 10.798 11.203 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.200 11.310 8.497 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.409 10.391 9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.812 11.977 9.859 1.00 0.00 H new ATOM 0 HG CYS A 15 -49.641 11.230 6.985 1.00 0.00 H new ATOM 261 N PHE A 16 -45.572 13.687 8.523 1.00 0.00 N ATOM 262 CA PHE A 16 -45.202 15.091 8.473 1.00 0.00 C ATOM 263 C PHE A 16 -46.236 15.905 7.692 1.00 0.00 C ATOM 264 O PHE A 16 -45.974 17.042 7.306 1.00 0.00 O ATOM 265 CB PHE A 16 -43.855 15.174 7.752 1.00 0.00 C ATOM 266 CG PHE A 16 -43.964 15.537 6.270 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.250 14.572 5.354 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.776 16.822 5.868 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.352 14.908 3.977 1.00 0.00 C ATOM 270 CE2 PHE A 16 -43.877 17.158 4.492 1.00 0.00 C ATOM 271 CZ PHE A 16 -44.163 16.193 3.575 1.00 0.00 C ATOM 0 H PHE A 16 -45.116 13.101 7.824 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.149 15.497 9.483 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.232 15.915 8.252 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.345 14.215 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.399 13.551 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.550 17.588 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -44.580 14.143 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -43.727 18.179 4.173 1.00 0.00 H new ATOM 0 HZ PHE A 16 -44.240 16.448 2.528 1.00 0.00 H new ATOM 281 N ASN A 17 -47.390 15.287 7.482 1.00 0.00 N ATOM 282 CA ASN A 17 -48.466 15.939 6.753 1.00 0.00 C ATOM 283 C ASN A 17 -49.649 16.168 7.696 1.00 0.00 C ATOM 284 O ASN A 17 -50.082 17.303 7.889 1.00 0.00 O ATOM 285 CB ASN A 17 -48.948 15.071 5.590 1.00 0.00 C ATOM 286 CG ASN A 17 -50.325 15.525 5.101 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.586 16.700 4.906 1.00 0.00 O ATOM 288 ND2 ASN A 17 -51.188 14.530 4.917 1.00 0.00 N ATOM 0 H ASN A 17 -47.603 14.343 7.804 1.00 0.00 H new ATOM 0 HA ASN A 17 -48.086 16.884 6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -48.231 15.124 4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.995 14.029 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -52.135 14.729 4.593 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.903 13.568 5.100 1.00 0.00 H new ATOM 295 N CYS A 18 -50.138 15.072 8.257 1.00 0.00 N ATOM 296 CA CYS A 18 -51.262 15.138 9.174 1.00 0.00 C ATOM 297 C CYS A 18 -50.715 15.257 10.597 1.00 0.00 C ATOM 298 O CYS A 18 -51.361 15.838 11.469 1.00 0.00 O ATOM 299 CB CYS A 18 -52.192 13.932 9.019 1.00 0.00 C ATOM 300 SG CYS A 18 -51.339 12.410 9.570 1.00 0.00 S ATOM 0 H CYS A 18 -49.776 14.133 8.094 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.870 16.013 8.945 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.098 14.083 9.605 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.499 13.830 7.978 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.422 12.089 8.706 1.00 0.00 H new ATOM 305 N GLY A 19 -49.530 14.697 10.791 1.00 0.00 N ATOM 306 CA GLY A 19 -48.888 14.732 12.093 1.00 0.00 C ATOM 307 C GLY A 19 -49.064 13.402 12.827 1.00 0.00 C ATOM 308 O GLY A 19 -48.183 12.981 13.576 1.00 0.00 O ATOM 0 H GLY A 19 -48.997 14.216 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.826 14.948 11.973 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.312 15.540 12.690 1.00 0.00 H new ATOM 312 N LYS A 20 -50.207 12.777 12.587 1.00 0.00 N ATOM 313 CA LYS A 20 -50.509 11.502 13.216 1.00 0.00 C ATOM 314 C LYS A 20 -49.294 10.579 13.099 1.00 0.00 C ATOM 315 O LYS A 20 -48.331 10.900 12.404 1.00 0.00 O ATOM 316 CB LYS A 20 -51.791 10.906 12.632 1.00 0.00 C ATOM 317 CG LYS A 20 -52.682 10.334 13.736 1.00 0.00 C ATOM 318 CD LYS A 20 -53.746 11.346 14.164 1.00 0.00 C ATOM 319 CE LYS A 20 -55.148 10.861 13.789 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.038 12.011 13.512 1.00 0.00 N ATOM 0 H LYS A 20 -50.935 13.129 11.966 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.704 11.640 14.279 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.335 11.673 12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.539 10.121 11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -53.164 9.422 13.383 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -52.070 10.059 14.595 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -53.689 11.506 15.241 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -53.551 12.307 13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.094 10.216 12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -55.561 10.261 14.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -56.985 11.664 13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.104 12.611 14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -55.651 12.567 12.723 1.00 0.00 H new ATOM 334 N GLU A 21 -49.378 9.453 13.790 1.00 0.00 N ATOM 335 CA GLU A 21 -48.297 8.481 13.773 1.00 0.00 C ATOM 336 C GLU A 21 -48.799 7.138 13.238 1.00 0.00 C ATOM 337 O GLU A 21 -49.999 6.871 13.250 1.00 0.00 O ATOM 338 CB GLU A 21 -47.680 8.321 15.164 1.00 0.00 C ATOM 339 CG GLU A 21 -48.663 7.646 16.124 1.00 0.00 C ATOM 340 CD GLU A 21 -48.127 7.663 17.557 1.00 0.00 C ATOM 341 OE1 GLU A 21 -47.991 8.781 18.099 1.00 0.00 O ATOM 342 OE2 GLU A 21 -47.864 6.557 18.079 1.00 0.00 O ATOM 0 H GLU A 21 -50.178 9.191 14.366 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.517 8.847 13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -46.768 7.728 15.095 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.397 9.298 15.555 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.625 8.158 16.085 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.837 6.617 15.809 1.00 0.00 H new ATOM 349 N GLY A 22 -47.854 6.330 12.782 1.00 0.00 N ATOM 350 CA GLY A 22 -48.185 5.021 12.243 1.00 0.00 C ATOM 351 C GLY A 22 -47.944 4.972 10.733 1.00 0.00 C ATOM 352 O GLY A 22 -47.613 3.921 10.187 1.00 0.00 O ATOM 0 H GLY A 22 -46.859 6.556 12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -47.582 4.258 12.736 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.229 4.790 12.456 1.00 0.00 H new ATOM 356 N HIS A 23 -48.119 6.123 10.101 1.00 0.00 N ATOM 357 CA HIS A 23 -47.926 6.225 8.664 1.00 0.00 C ATOM 358 C HIS A 23 -47.266 7.564 8.329 1.00 0.00 C ATOM 359 O HIS A 23 -47.072 8.402 9.209 1.00 0.00 O ATOM 360 CB HIS A 23 -49.246 6.012 7.921 1.00 0.00 C ATOM 361 CG HIS A 23 -50.172 7.204 7.960 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.240 7.296 8.836 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.178 8.353 7.223 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.854 8.451 8.626 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.195 9.104 7.625 1.00 0.00 N ATOM 0 H HIS A 23 -48.392 6.993 10.557 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.256 5.434 8.327 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.030 5.766 6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.759 5.152 8.352 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.474 8.608 6.445 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.724 8.813 9.154 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.443 10.019 7.248 1.00 0.00 H new ATOM 373 N ILE A 24 -46.940 7.725 7.055 1.00 0.00 N ATOM 374 CA ILE A 24 -46.306 8.948 6.593 1.00 0.00 C ATOM 375 C ILE A 24 -47.167 9.581 5.497 1.00 0.00 C ATOM 376 O ILE A 24 -47.982 8.902 4.875 1.00 0.00 O ATOM 377 CB ILE A 24 -44.864 8.674 6.162 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.805 7.543 5.134 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.973 8.395 7.373 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.392 7.388 4.568 1.00 0.00 C ATOM 0 H ILE A 24 -47.103 7.028 6.328 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.239 9.673 7.404 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.476 9.570 5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.119 6.608 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.505 7.747 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.954 8.203 7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.981 9.259 8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.349 7.523 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.379 6.577 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -43.091 8.316 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.699 7.160 5.378 1.00 0.00 H new ATOM 392 N ALA A 25 -46.955 10.873 5.295 1.00 0.00 N ATOM 393 CA ALA A 25 -47.701 11.604 4.286 1.00 0.00 C ATOM 394 C ALA A 25 -47.595 10.871 2.948 1.00 0.00 C ATOM 395 O ALA A 25 -48.570 10.788 2.202 1.00 0.00 O ATOM 396 CB ALA A 25 -47.180 13.041 4.206 1.00 0.00 C ATOM 0 H ALA A 25 -46.277 11.432 5.813 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.757 11.654 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.740 13.589 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -47.305 13.528 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -46.123 13.031 3.939 1.00 0.00 H new ATOM 402 N LYS A 26 -46.403 10.357 2.685 1.00 0.00 N ATOM 403 CA LYS A 26 -46.156 9.633 1.449 1.00 0.00 C ATOM 404 C LYS A 26 -47.366 8.752 1.128 1.00 0.00 C ATOM 405 O LYS A 26 -47.636 8.462 -0.035 1.00 0.00 O ATOM 406 CB LYS A 26 -44.838 8.859 1.534 1.00 0.00 C ATOM 407 CG LYS A 26 -45.088 7.350 1.538 1.00 0.00 C ATOM 408 CD LYS A 26 -43.772 6.577 1.433 1.00 0.00 C ATOM 409 CE LYS A 26 -44.013 5.069 1.525 1.00 0.00 C ATOM 410 NZ LYS A 26 -44.174 4.654 2.937 1.00 0.00 N ATOM 0 H LYS A 26 -45.597 10.427 3.306 1.00 0.00 H new ATOM 0 HA LYS A 26 -46.037 10.329 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.202 9.124 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.302 9.145 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.609 7.066 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.738 7.083 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.282 6.814 0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.097 6.890 2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -44.905 4.802 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -43.177 4.533 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -44.116 3.618 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -43.420 5.080 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -45.100 4.972 3.289 1.00 0.00 H new ATOM 424 N ASN A 27 -48.062 8.352 2.183 1.00 0.00 N ATOM 425 CA ASN A 27 -49.236 7.511 2.029 1.00 0.00 C ATOM 426 C ASN A 27 -50.204 7.776 3.185 1.00 0.00 C ATOM 427 O ASN A 27 -50.559 6.859 3.924 1.00 0.00 O ATOM 428 CB ASN A 27 -48.860 6.028 2.058 1.00 0.00 C ATOM 429 CG ASN A 27 -47.573 5.805 2.855 1.00 0.00 C ATOM 430 OD1 ASN A 27 -46.657 5.125 2.425 1.00 0.00 O ATOM 431 ND2 ASN A 27 -47.557 6.414 4.038 1.00 0.00 N ATOM 0 H ASN A 27 -47.835 8.595 3.147 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.696 7.748 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.672 5.452 2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.730 5.662 1.040 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.743 6.326 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -48.359 6.969 4.337 1.00 0.00 H new ATOM 438 N CYS A 28 -50.602 9.034 3.304 1.00 0.00 N ATOM 439 CA CYS A 28 -51.521 9.431 4.357 1.00 0.00 C ATOM 440 C CYS A 28 -52.909 8.885 4.014 1.00 0.00 C ATOM 441 O CYS A 28 -53.276 8.803 2.844 1.00 0.00 O ATOM 442 CB CYS A 28 -51.537 10.948 4.552 1.00 0.00 C ATOM 443 SG CYS A 28 -52.600 11.385 5.976 1.00 0.00 S ATOM 0 H CYS A 28 -50.305 9.791 2.689 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.191 9.012 5.308 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.523 11.312 4.719 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.906 11.435 3.649 1.00 0.00 H new ATOM 0 HG CYS A 28 -52.776 12.673 6.007 1.00 0.00 H new ATOM 448 N ARG A 29 -53.642 8.526 5.058 1.00 0.00 N ATOM 449 CA ARG A 29 -54.982 7.991 4.883 1.00 0.00 C ATOM 450 C ARG A 29 -56.016 9.116 4.945 1.00 0.00 C ATOM 451 O ARG A 29 -57.202 8.864 5.153 1.00 0.00 O ATOM 452 CB ARG A 29 -55.304 6.951 5.958 1.00 0.00 C ATOM 453 CG ARG A 29 -55.310 7.586 7.350 1.00 0.00 C ATOM 454 CD ARG A 29 -56.249 6.830 8.293 1.00 0.00 C ATOM 455 NE ARG A 29 -56.494 7.633 9.512 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.569 7.494 10.301 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.505 6.582 10.002 1.00 0.00 N ATOM 458 NH2 ARG A 29 -57.708 8.265 11.388 1.00 0.00 N ATOM 0 H ARG A 29 -53.333 8.595 6.028 1.00 0.00 H new ATOM 0 HA ARG A 29 -55.022 7.511 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -56.276 6.502 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -54.568 6.148 5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -54.300 7.584 7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.623 8.628 7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.193 6.621 7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -55.811 5.869 8.562 1.00 0.00 H new ATOM 0 HE ARG A 29 -55.801 8.337 9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -58.399 5.995 9.175 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -59.323 6.475 10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -56.996 8.958 11.616 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -58.526 8.158 11.988 1.00 0.00 H new ATOM 472 N ALA A 30 -55.529 10.335 4.760 1.00 0.00 N ATOM 473 CA ALA A 30 -56.396 11.500 4.792 1.00 0.00 C ATOM 474 C ALA A 30 -57.326 11.473 3.578 1.00 0.00 C ATOM 475 O ALA A 30 -56.873 11.606 2.442 1.00 0.00 O ATOM 476 CB ALA A 30 -55.544 12.769 4.845 1.00 0.00 C ATOM 0 H ALA A 30 -54.545 10.540 4.587 1.00 0.00 H new ATOM 0 HA ALA A 30 -57.020 11.489 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.195 13.643 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.924 12.754 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.906 12.816 3.963 1.00 0.00 H new ATOM 482 N PRO A 31 -58.643 11.293 3.865 1.00 0.00 N ATOM 483 CA PRO A 31 -59.640 11.246 2.810 1.00 0.00 C ATOM 484 C PRO A 31 -59.917 12.644 2.255 1.00 0.00 C ATOM 485 O PRO A 31 -61.070 13.061 2.159 1.00 0.00 O ATOM 486 CB PRO A 31 -60.863 10.609 3.452 1.00 0.00 C ATOM 487 CG PRO A 31 -60.666 10.749 4.952 1.00 0.00 C ATOM 488 CD PRO A 31 -59.216 11.131 5.199 1.00 0.00 C ATOM 0 HA PRO A 31 -59.312 10.666 1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.777 11.107 3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.953 9.561 3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -61.335 11.509 5.355 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.905 9.813 5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -59.142 12.053 5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.694 10.359 5.763 1.00 0.00 H new ATOM 496 N ARG A 32 -58.839 13.329 1.901 1.00 0.00 N ATOM 497 CA ARG A 32 -58.951 14.672 1.357 1.00 0.00 C ATOM 498 C ARG A 32 -58.634 14.667 -0.140 1.00 0.00 C ATOM 499 O ARG A 32 -57.880 13.819 -0.614 1.00 0.00 O ATOM 500 CB ARG A 32 -58.000 15.636 2.070 1.00 0.00 C ATOM 501 CG ARG A 32 -56.567 15.467 1.561 1.00 0.00 C ATOM 502 CD ARG A 32 -55.561 15.604 2.706 1.00 0.00 C ATOM 503 NE ARG A 32 -54.180 15.511 2.180 1.00 0.00 N ATOM 504 CZ ARG A 32 -53.633 14.385 1.702 1.00 0.00 C ATOM 505 NH1 ARG A 32 -54.345 13.250 1.681 1.00 0.00 N ATOM 506 NH2 ARG A 32 -52.373 14.394 1.245 1.00 0.00 N ATOM 0 H ARG A 32 -57.884 12.979 1.980 1.00 0.00 H new ATOM 0 HA ARG A 32 -59.976 15.009 1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -58.329 16.663 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -58.032 15.456 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -56.457 14.490 1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -56.358 16.215 0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -55.702 16.558 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -55.731 14.822 3.446 1.00 0.00 H new ATOM 0 HE ARG A 32 -53.610 16.357 2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -55.304 13.243 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -53.928 12.393 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -51.831 15.258 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -51.956 13.537 0.881 1.00 0.00 H new ATOM 520 N LYS A 33 -59.225 15.623 -0.840 1.00 0.00 N ATOM 521 CA LYS A 33 -59.015 15.739 -2.274 1.00 0.00 C ATOM 522 C LYS A 33 -57.914 16.767 -2.542 1.00 0.00 C ATOM 523 O LYS A 33 -56.898 16.448 -3.156 1.00 0.00 O ATOM 524 CB LYS A 33 -60.334 16.050 -2.986 1.00 0.00 C ATOM 525 CG LYS A 33 -60.145 16.073 -4.504 1.00 0.00 C ATOM 526 CD LYS A 33 -61.455 16.419 -5.213 1.00 0.00 C ATOM 527 CE LYS A 33 -61.188 17.112 -6.551 1.00 0.00 C ATOM 528 NZ LYS A 33 -60.827 16.120 -7.587 1.00 0.00 N ATOM 0 H LYS A 33 -59.849 16.325 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 33 -58.673 14.790 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -61.080 15.301 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -60.715 17.014 -2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -59.380 16.803 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -59.788 15.101 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -62.034 15.510 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -62.057 17.068 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -62.073 17.666 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -60.382 17.837 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -60.649 16.608 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -59.969 15.609 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -61.608 15.444 -7.708 1.00 0.00 H new ATOM 542 N LYS A 34 -58.154 17.981 -2.069 1.00 0.00 N ATOM 543 CA LYS A 34 -57.196 19.058 -2.249 1.00 0.00 C ATOM 544 C LYS A 34 -57.581 20.234 -1.350 1.00 0.00 C ATOM 545 O LYS A 34 -58.656 20.813 -1.504 1.00 0.00 O ATOM 546 CB LYS A 34 -57.080 19.429 -3.729 1.00 0.00 C ATOM 547 CG LYS A 34 -57.826 20.729 -4.029 1.00 0.00 C ATOM 548 CD LYS A 34 -57.813 21.037 -5.527 1.00 0.00 C ATOM 549 CE LYS A 34 -56.412 21.442 -5.991 1.00 0.00 C ATOM 550 NZ LYS A 34 -56.465 22.707 -6.759 1.00 0.00 N ATOM 0 H LYS A 34 -58.999 18.243 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.200 18.736 -1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -56.030 19.538 -3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -57.485 18.624 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -58.855 20.650 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -57.365 21.551 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -58.146 20.162 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -58.518 21.840 -5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -55.757 21.561 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -55.985 20.652 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -55.506 22.967 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -57.074 22.582 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -56.853 23.462 -6.158 1.00 0.00 H new ATOM 564 N GLY A 35 -56.683 20.552 -0.428 1.00 0.00 N ATOM 565 CA GLY A 35 -56.915 21.649 0.495 1.00 0.00 C ATOM 566 C GLY A 35 -55.598 22.155 1.088 1.00 0.00 C ATOM 567 O GLY A 35 -54.614 21.419 1.141 1.00 0.00 O ATOM 0 H GLY A 35 -55.794 20.069 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.421 22.464 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.577 21.321 1.297 1.00 0.00 H new ATOM 571 N CYS A 36 -55.622 23.409 1.517 1.00 0.00 N ATOM 572 CA CYS A 36 -54.443 24.022 2.103 1.00 0.00 C ATOM 573 C CYS A 36 -54.249 23.446 3.507 1.00 0.00 C ATOM 574 O CYS A 36 -55.006 23.765 4.422 1.00 0.00 O ATOM 575 CB CYS A 36 -54.549 25.548 2.122 1.00 0.00 C ATOM 576 SG CYS A 36 -52.981 26.277 2.723 1.00 0.00 S ATOM 0 H CYS A 36 -56.440 24.017 1.470 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.569 23.792 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.771 25.918 1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.373 25.856 2.766 1.00 0.00 H new ATOM 0 HG CYS A 36 -53.041 27.572 2.630 1.00 0.00 H new ATOM 581 N TRP A 37 -53.231 22.607 3.633 1.00 0.00 N ATOM 582 CA TRP A 37 -52.928 21.984 4.910 1.00 0.00 C ATOM 583 C TRP A 37 -51.986 22.913 5.678 1.00 0.00 C ATOM 584 O TRP A 37 -51.409 22.519 6.690 1.00 0.00 O ATOM 585 CB TRP A 37 -52.353 20.580 4.712 1.00 0.00 C ATOM 586 CG TRP A 37 -50.913 20.423 5.203 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.468 19.695 6.237 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.738 21.038 4.633 1.00 0.00 C ATOM 589 NE1 TRP A 37 -49.099 19.798 6.375 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.640 20.641 5.369 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.608 21.904 3.533 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.335 21.058 5.084 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.296 22.312 3.262 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.181 21.920 3.993 1.00 0.00 C ATOM 0 H TRP A 37 -52.606 22.344 2.871 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.836 21.847 5.497 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.985 19.863 5.236 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.394 20.328 3.652 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -51.101 19.103 6.881 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.528 19.340 7.085 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.453 22.229 2.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.492 20.732 5.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.140 22.978 2.426 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.200 22.279 3.720 1.00 0.00 H new ATOM 605 N LYS A 38 -51.860 24.129 5.168 1.00 0.00 N ATOM 606 CA LYS A 38 -50.998 25.118 5.793 1.00 0.00 C ATOM 607 C LYS A 38 -51.847 26.059 6.650 1.00 0.00 C ATOM 608 O LYS A 38 -51.433 26.457 7.737 1.00 0.00 O ATOM 609 CB LYS A 38 -50.156 25.837 4.739 1.00 0.00 C ATOM 610 CG LYS A 38 -49.082 26.708 5.395 1.00 0.00 C ATOM 611 CD LYS A 38 -48.927 28.038 4.655 1.00 0.00 C ATOM 612 CE LYS A 38 -47.453 28.355 4.400 1.00 0.00 C ATOM 613 NZ LYS A 38 -46.946 29.314 5.407 1.00 0.00 N ATOM 0 H LYS A 38 -52.341 24.452 4.328 1.00 0.00 H new ATOM 0 HA LYS A 38 -50.285 24.635 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.685 25.105 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.800 26.456 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -49.346 26.896 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.130 26.177 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -49.463 27.995 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -49.379 28.839 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -46.866 27.437 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.332 28.771 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -45.944 29.518 5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -47.495 30.196 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -47.043 28.903 6.357 1.00 0.00 H new ATOM 627 N CYS A 39 -53.019 26.389 6.126 1.00 0.00 N ATOM 628 CA CYS A 39 -53.929 27.277 6.829 1.00 0.00 C ATOM 629 C CYS A 39 -55.113 26.448 7.335 1.00 0.00 C ATOM 630 O CYS A 39 -55.553 26.618 8.471 1.00 0.00 O ATOM 631 CB CYS A 39 -54.382 28.439 5.945 1.00 0.00 C ATOM 632 SG CYS A 39 -55.204 27.797 4.441 1.00 0.00 S ATOM 0 H CYS A 39 -53.359 26.057 5.223 1.00 0.00 H new ATOM 0 HA CYS A 39 -53.416 27.731 7.676 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -55.067 29.082 6.498 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.524 29.052 5.667 1.00 0.00 H new ATOM 0 HG CYS A 39 -54.314 27.280 3.647 1.00 0.00 H new ATOM 637 N GLY A 40 -55.594 25.572 6.466 1.00 0.00 N ATOM 638 CA GLY A 40 -56.718 24.718 6.810 1.00 0.00 C ATOM 639 C GLY A 40 -57.949 25.067 5.972 1.00 0.00 C ATOM 640 O GLY A 40 -59.080 24.857 6.406 1.00 0.00 O ATOM 0 H GLY A 40 -55.226 25.435 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.449 23.674 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.952 24.828 7.869 1.00 0.00 H new ATOM 644 N LYS A 41 -57.688 25.597 4.786 1.00 0.00 N ATOM 645 CA LYS A 41 -58.760 25.979 3.883 1.00 0.00 C ATOM 646 C LYS A 41 -58.709 25.096 2.636 1.00 0.00 C ATOM 647 O LYS A 41 -57.758 25.166 1.859 1.00 0.00 O ATOM 648 CB LYS A 41 -58.697 27.477 3.580 1.00 0.00 C ATOM 649 CG LYS A 41 -59.796 28.235 4.328 1.00 0.00 C ATOM 650 CD LYS A 41 -59.263 29.549 4.902 1.00 0.00 C ATOM 651 CE LYS A 41 -59.242 29.512 6.431 1.00 0.00 C ATOM 652 NZ LYS A 41 -59.062 30.875 6.981 1.00 0.00 N ATOM 0 H LYS A 41 -56.748 25.771 4.429 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.730 25.813 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.721 27.869 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.804 27.639 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.626 28.440 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -60.187 27.614 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -58.257 29.733 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -59.886 30.377 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -60.173 29.084 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -58.434 28.866 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -59.050 30.831 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -58.162 31.271 6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -59.847 31.482 6.669 1.00 0.00 H new ATOM 666 N GLU A 42 -59.746 24.284 2.481 1.00 0.00 N ATOM 667 CA GLU A 42 -59.831 23.389 1.340 1.00 0.00 C ATOM 668 C GLU A 42 -60.106 24.182 0.062 1.00 0.00 C ATOM 669 O GLU A 42 -60.647 25.285 0.115 1.00 0.00 O ATOM 670 CB GLU A 42 -60.901 22.318 1.562 1.00 0.00 C ATOM 671 CG GLU A 42 -62.299 22.939 1.593 1.00 0.00 C ATOM 672 CD GLU A 42 -62.964 22.726 2.955 1.00 0.00 C ATOM 673 OE1 GLU A 42 -63.553 21.638 3.133 1.00 0.00 O ATOM 674 OE2 GLU A 42 -62.867 23.655 3.785 1.00 0.00 O ATOM 0 H GLU A 42 -60.534 24.228 3.127 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.873 22.881 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.847 21.574 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.710 21.796 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.232 24.006 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.915 22.496 0.810 1.00 0.00 H new ATOM 681 N GLY A 43 -59.719 23.589 -1.059 1.00 0.00 N ATOM 682 CA GLY A 43 -59.918 24.227 -2.350 1.00 0.00 C ATOM 683 C GLY A 43 -58.583 24.660 -2.958 1.00 0.00 C ATOM 684 O GLY A 43 -58.434 24.695 -4.179 1.00 0.00 O ATOM 0 H GLY A 43 -59.269 22.674 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.423 23.538 -3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.568 25.094 -2.235 1.00 0.00 H new ATOM 688 N HIS A 44 -57.643 24.978 -2.080 1.00 0.00 N ATOM 689 CA HIS A 44 -56.325 25.407 -2.515 1.00 0.00 C ATOM 690 C HIS A 44 -55.254 24.643 -1.736 1.00 0.00 C ATOM 691 O HIS A 44 -55.570 23.759 -0.940 1.00 0.00 O ATOM 692 CB HIS A 44 -56.178 26.925 -2.391 1.00 0.00 C ATOM 693 CG HIS A 44 -55.927 27.405 -0.982 1.00 0.00 C ATOM 694 ND1 HIS A 44 -54.789 27.865 -0.387 1.00 0.00 N flip ATOM 695 CD2 HIS A 44 -56.916 27.441 -0.015 1.00 0.00 C flip ATOM 696 CE1 HIS A 44 -55.068 28.169 0.874 1.00 0.00 C flip ATOM 697 NE2 HIS A 44 -56.386 27.906 1.108 1.00 0.00 N flip ATOM 0 H HIS A 44 -57.768 24.947 -1.068 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.194 25.173 -3.571 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.356 27.253 -3.027 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.083 27.399 -2.770 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -53.878 27.959 -0.836 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -57.945 27.141 -0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -54.367 28.560 1.596 1.00 0.00 H new ATOM 705 N GLN A 45 -54.006 25.009 -1.992 1.00 0.00 N ATOM 706 CA GLN A 45 -52.886 24.369 -1.325 1.00 0.00 C ATOM 707 C GLN A 45 -51.947 25.423 -0.735 1.00 0.00 C ATOM 708 O GLN A 45 -52.092 26.614 -1.010 1.00 0.00 O ATOM 709 CB GLN A 45 -52.135 23.441 -2.282 1.00 0.00 C ATOM 710 CG GLN A 45 -51.329 24.244 -3.305 1.00 0.00 C ATOM 711 CD GLN A 45 -49.879 23.756 -3.365 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.245 23.492 -2.358 1.00 0.00 O ATOM 713 NE2 GLN A 45 -49.394 23.654 -4.599 1.00 0.00 N ATOM 0 H GLN A 45 -53.747 25.741 -2.653 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.275 23.759 -0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.467 22.792 -1.716 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.844 22.795 -2.799 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -51.789 24.152 -4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.350 25.301 -3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -49.981 23.892 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -48.435 23.338 -4.746 1.00 0.00 H new ATOM 722 N MET A 46 -51.004 24.948 0.067 1.00 0.00 N ATOM 723 CA MET A 46 -50.042 25.835 0.698 1.00 0.00 C ATOM 724 C MET A 46 -49.322 26.694 -0.343 1.00 0.00 C ATOM 725 O MET A 46 -49.211 27.908 -0.182 1.00 0.00 O ATOM 726 CB MET A 46 -49.016 25.006 1.474 1.00 0.00 C ATOM 727 CG MET A 46 -47.981 25.907 2.150 1.00 0.00 C ATOM 728 SD MET A 46 -46.546 26.081 1.102 1.00 0.00 S ATOM 729 CE MET A 46 -45.635 24.623 1.580 1.00 0.00 C ATOM 0 H MET A 46 -50.886 23.961 0.294 1.00 0.00 H new ATOM 0 HA MET A 46 -50.578 26.496 1.379 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.525 24.403 2.226 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.515 24.315 0.797 1.00 0.00 H new ATOM 0 HG2 MET A 46 -48.415 26.886 2.351 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.690 25.483 3.111 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.703 24.575 1.017 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.413 24.666 2.646 1.00 0.00 H new ATOM 0 HE3 MET A 46 -46.232 23.736 1.370 1.00 0.00 H new ATOM 739 N LYS A 47 -48.851 26.029 -1.388 1.00 0.00 N ATOM 740 CA LYS A 47 -48.144 26.716 -2.455 1.00 0.00 C ATOM 741 C LYS A 47 -49.062 27.775 -3.069 1.00 0.00 C ATOM 742 O LYS A 47 -48.599 28.667 -3.779 1.00 0.00 O ATOM 743 CB LYS A 47 -47.600 25.711 -3.472 1.00 0.00 C ATOM 744 CG LYS A 47 -46.211 26.124 -3.963 1.00 0.00 C ATOM 745 CD LYS A 47 -45.264 24.923 -4.003 1.00 0.00 C ATOM 746 CE LYS A 47 -45.467 24.107 -5.281 1.00 0.00 C ATOM 747 NZ LYS A 47 -44.167 23.841 -5.938 1.00 0.00 N ATOM 0 H LYS A 47 -48.945 25.022 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.273 27.238 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -47.550 24.721 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.283 25.640 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.289 26.564 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -45.803 26.892 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -44.231 25.268 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -45.436 24.290 -3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -45.961 23.165 -5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -46.123 24.647 -5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -44.323 23.286 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.710 24.743 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -43.554 23.307 -5.290 1.00 0.00 H new ATOM 761 N ASP A 48 -50.347 27.643 -2.773 1.00 0.00 N ATOM 762 CA ASP A 48 -51.334 28.577 -3.287 1.00 0.00 C ATOM 763 C ASP A 48 -52.104 29.193 -2.117 1.00 0.00 C ATOM 764 O ASP A 48 -53.269 29.563 -2.263 1.00 0.00 O ATOM 765 CB ASP A 48 -52.340 27.871 -4.197 1.00 0.00 C ATOM 766 CG ASP A 48 -52.967 28.756 -5.276 1.00 0.00 C ATOM 767 OD1 ASP A 48 -53.320 29.905 -4.935 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.080 28.262 -6.419 1.00 0.00 O ATOM 0 H ASP A 48 -50.727 26.903 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 48 -50.809 29.343 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -51.842 27.031 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.137 27.456 -3.580 1.00 0.00 H new ATOM 773 N CYS A 49 -51.424 29.282 -0.984 1.00 0.00 N ATOM 774 CA CYS A 49 -52.031 29.846 0.210 1.00 0.00 C ATOM 775 C CYS A 49 -52.147 31.359 0.021 1.00 0.00 C ATOM 776 O CYS A 49 -51.338 31.966 -0.679 1.00 0.00 O ATOM 777 CB CYS A 49 -51.240 29.488 1.470 1.00 0.00 C ATOM 778 SG CYS A 49 -52.212 29.911 2.962 1.00 0.00 S ATOM 0 H CYS A 49 -50.459 28.973 -0.867 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.025 29.421 0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.003 28.424 1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.292 30.026 1.479 1.00 0.00 H new ATOM 0 HG CYS A 49 -51.532 29.601 4.025 1.00 0.00 H new ATOM 783 N THR A 50 -53.161 31.927 0.658 1.00 0.00 N ATOM 784 CA THR A 50 -53.394 33.359 0.569 1.00 0.00 C ATOM 785 C THR A 50 -52.610 34.096 1.658 1.00 0.00 C ATOM 786 O THR A 50 -52.270 35.267 1.497 1.00 0.00 O ATOM 787 CB THR A 50 -54.903 33.598 0.640 1.00 0.00 C ATOM 788 OG1 THR A 50 -55.291 33.002 1.874 1.00 0.00 O ATOM 789 CG2 THR A 50 -55.672 32.802 -0.417 1.00 0.00 C ATOM 0 H THR A 50 -53.831 31.421 1.238 1.00 0.00 H new ATOM 0 HA THR A 50 -53.031 33.760 -0.377 1.00 0.00 H new ATOM 0 HB THR A 50 -55.109 34.661 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.256 33.113 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 50 -56.738 33.008 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 50 -55.332 33.094 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 50 -55.494 31.737 -0.271 1.00 0.00 H new ATOM 797 N GLU A 51 -52.347 33.379 2.740 1.00 0.00 N ATOM 798 CA GLU A 51 -51.610 33.950 3.855 1.00 0.00 C ATOM 799 C GLU A 51 -50.217 33.323 3.946 1.00 0.00 C ATOM 800 O GLU A 51 -49.848 32.772 4.982 1.00 0.00 O ATOM 801 CB GLU A 51 -52.377 33.773 5.167 1.00 0.00 C ATOM 802 CG GLU A 51 -52.293 35.037 6.025 1.00 0.00 C ATOM 803 CD GLU A 51 -51.969 34.691 7.480 1.00 0.00 C ATOM 804 OE1 GLU A 51 -50.800 34.326 7.730 1.00 0.00 O ATOM 805 OE2 GLU A 51 -52.898 34.800 8.310 1.00 0.00 O ATOM 0 H GLU A 51 -52.631 32.408 2.869 1.00 0.00 H new ATOM 0 HA GLU A 51 -51.496 35.020 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -53.421 33.542 4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -51.970 32.926 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -51.527 35.701 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -53.239 35.577 5.978 1.00 0.00 H new