USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=16 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 -113:sc= -0.701 USER MOD Set 1.2: A 39 CYS SG : rot -104:sc= -2.82! USER MOD Set 1.3: A 44 HIS : no HE2:sc= -8.43! C(o=-13!,f=-13!) USER MOD Set 1.4: A 49 CYS SG : rot 83:sc= -0.783 USER MOD Set 2.1: A 15 CYS SG : rot 133:sc= -0.349 USER MOD Set 2.2: A 17 ASN :FLIP amide:sc= -0.191 F(o=-6.6,f=-5) USER MOD Set 2.3: A 18 CYS SG : rot -74:sc= -0.745 USER MOD Set 2.4: A 23 HIS : no HD1:sc= -3.35! C(o=-5!,f=-12!) USER MOD Set 2.5: A 28 CYS SG : rot 101:sc= -0.38 USER MOD Single : A 2 GLN : amide:sc= -0.116 K(o=-0.12,f=-2!) USER MOD Single : A 3 LYS NZ :NH3+ 145:sc= -0.0341 (180deg=-0.303) USER MOD Single : A 5 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.251 F(o=-4.4!,f=-0.25) USER MOD Single : A 9 GLN : amide:sc= -3.56! C(o=-3.6!,f=-5.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.02! 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+ -153:sc= 0 (180deg=-0.00468) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.65! C(o=-7.4!,f=-4.6!) 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+ -164:sc= 0.00139 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -6.2! C(o=-6.2!,f=-11!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= 0.157 (180deg=-0.333) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -31.066 9.318 7.902 1.00 0.00 N ATOM 19 CA GLN A 2 -30.797 7.969 7.434 1.00 0.00 C ATOM 20 C GLN A 2 -32.107 7.251 7.101 1.00 0.00 C ATOM 21 O GLN A 2 -33.074 7.335 7.857 1.00 0.00 O ATOM 22 CB GLN A 2 -29.988 7.181 8.467 1.00 0.00 C ATOM 23 CG GLN A 2 -28.906 6.339 7.788 1.00 0.00 C ATOM 24 CD GLN A 2 -27.636 7.161 7.557 1.00 0.00 C ATOM 25 OE1 GLN A 2 -27.451 8.235 8.107 1.00 0.00 O ATOM 26 NE2 GLN A 2 -26.773 6.598 6.716 1.00 0.00 N ATOM 0 HA GLN A 2 -30.199 8.034 6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -29.527 7.869 9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.653 6.533 9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -28.674 5.471 8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.278 5.962 6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -26.990 5.697 6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -25.894 7.067 6.497 1.00 0.00 H new ATOM 35 N LYS A 3 -32.096 6.562 5.970 1.00 0.00 N ATOM 36 CA LYS A 3 -33.272 5.831 5.528 1.00 0.00 C ATOM 37 C LYS A 3 -33.662 4.807 6.596 1.00 0.00 C ATOM 38 O LYS A 3 -34.844 4.618 6.876 1.00 0.00 O ATOM 39 CB LYS A 3 -33.033 5.218 4.146 1.00 0.00 C ATOM 40 CG LYS A 3 -34.242 4.396 3.695 1.00 0.00 C ATOM 41 CD LYS A 3 -33.801 3.066 3.080 1.00 0.00 C ATOM 42 CE LYS A 3 -33.243 2.125 4.149 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.795 1.905 3.941 1.00 0.00 N ATOM 0 H LYS A 3 -31.292 6.494 5.346 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.119 6.507 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.836 6.009 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -32.147 4.584 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -34.897 4.208 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -34.821 4.964 2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -34.647 2.594 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -33.043 3.247 2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -33.414 2.548 5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -33.770 1.172 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -31.322 1.812 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.652 1.035 3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.392 2.713 3.425 1.00 0.00 H new ATOM 57 N GLY A 4 -32.644 4.175 7.162 1.00 0.00 N ATOM 58 CA GLY A 4 -32.867 3.175 8.193 1.00 0.00 C ATOM 59 C GLY A 4 -33.618 3.774 9.384 1.00 0.00 C ATOM 60 O GLY A 4 -34.296 3.057 10.120 1.00 0.00 O ATOM 0 H GLY A 4 -31.665 4.335 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.437 2.343 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.911 2.772 8.527 1.00 0.00 H new ATOM 64 N ASN A 5 -33.473 5.082 9.539 1.00 0.00 N ATOM 65 CA ASN A 5 -34.130 5.784 10.627 1.00 0.00 C ATOM 66 C ASN A 5 -35.640 5.561 10.536 1.00 0.00 C ATOM 67 O ASN A 5 -36.319 5.459 11.556 1.00 0.00 O ATOM 68 CB ASN A 5 -33.869 7.290 10.547 1.00 0.00 C ATOM 69 CG ASN A 5 -33.847 7.917 11.944 1.00 0.00 C ATOM 70 OD1 ASN A 5 -32.830 8.391 12.423 1.00 0.00 O ATOM 71 ND2 ASN A 5 -35.021 7.893 12.566 1.00 0.00 N ATOM 0 H ASN A 5 -32.910 5.674 8.928 1.00 0.00 H new ATOM 0 HA ASN A 5 -33.733 5.397 11.566 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -32.917 7.472 10.048 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.642 7.765 9.943 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -35.110 8.287 13.503 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -35.833 7.480 12.107 1.00 0.00 H new ATOM 78 N PHE A 6 -36.122 5.492 9.303 1.00 0.00 N ATOM 79 CA PHE A 6 -37.540 5.282 9.065 1.00 0.00 C ATOM 80 C PHE A 6 -38.010 3.960 9.676 1.00 0.00 C ATOM 81 O PHE A 6 -39.209 3.722 9.803 1.00 0.00 O ATOM 82 CB PHE A 6 -37.736 5.228 7.549 1.00 0.00 C ATOM 83 CG PHE A 6 -39.187 5.011 7.115 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.197 5.625 7.788 1.00 0.00 C ATOM 85 CD2 PHE A 6 -39.468 4.203 6.058 1.00 0.00 C ATOM 86 CE1 PHE A 6 -41.543 5.424 7.387 1.00 0.00 C ATOM 87 CE2 PHE A 6 -40.814 4.002 5.656 1.00 0.00 C ATOM 88 CZ PHE A 6 -41.824 4.616 6.329 1.00 0.00 C ATOM 0 H PHE A 6 -35.556 5.578 8.459 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.116 6.087 9.521 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -37.373 6.159 7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.122 4.424 7.142 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -39.974 6.266 8.628 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -38.666 3.714 5.524 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -42.344 5.912 7.921 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.036 3.361 4.815 1.00 0.00 H new ATOM 0 HZ PHE A 6 -42.848 4.462 6.024 1.00 0.00 H new ATOM 98 N ARG A 7 -37.038 3.135 10.037 1.00 0.00 N ATOM 99 CA ARG A 7 -37.337 1.843 10.632 1.00 0.00 C ATOM 100 C ARG A 7 -38.142 2.025 11.920 1.00 0.00 C ATOM 101 O ARG A 7 -38.727 1.071 12.431 1.00 0.00 O ATOM 102 CB ARG A 7 -36.054 1.070 10.945 1.00 0.00 C ATOM 103 CG ARG A 7 -35.362 0.614 9.659 1.00 0.00 C ATOM 104 CD ARG A 7 -33.873 0.352 9.900 1.00 0.00 C ATOM 105 NE ARG A 7 -33.665 -1.057 10.301 1.00 0.00 N ATOM 106 CZ ARG A 7 -33.557 -2.076 9.437 1.00 0.00 C ATOM 107 NH1 ARG A 7 -33.638 -1.848 8.120 1.00 0.00 N ATOM 108 NH2 ARG A 7 -33.369 -3.322 9.892 1.00 0.00 N ATOM 0 H ARG A 7 -36.044 3.336 9.929 1.00 0.00 H new ATOM 0 HA ARG A 7 -37.923 1.274 9.911 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.377 1.700 11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.289 0.203 11.563 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.839 -0.293 9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.481 1.376 8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -33.306 0.568 8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -33.499 1.019 10.677 1.00 0.00 H new ATOM 0 HE ARG A 7 -33.600 -1.266 11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -33.782 -0.899 7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -33.556 -2.623 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -33.308 -3.495 10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -33.287 -4.098 9.235 1.00 0.00 H new ATOM 122 N ASN A 8 -38.145 3.256 12.409 1.00 0.00 N ATOM 123 CA ASN A 8 -38.868 3.575 13.628 1.00 0.00 C ATOM 124 C ASN A 8 -40.358 3.293 13.421 1.00 0.00 C ATOM 125 O ASN A 8 -41.123 3.241 14.383 1.00 0.00 O ATOM 126 CB ASN A 8 -38.714 5.054 13.990 1.00 0.00 C ATOM 127 CG ASN A 8 -39.461 5.943 12.994 1.00 0.00 C ATOM 128 OD1 ASN A 8 -40.778 5.966 13.171 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -38.878 6.567 12.122 1.00 0.00 N flip ATOM 0 H ASN A 8 -37.658 4.045 11.983 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.459 2.962 14.432 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.097 5.228 14.996 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.657 5.321 14.000 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -37.863 6.504 12.042 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.406 7.151 11.473 1.00 0.00 H new ATOM 136 N GLN A 9 -40.725 3.117 12.160 1.00 0.00 N ATOM 137 CA GLN A 9 -42.109 2.841 11.815 1.00 0.00 C ATOM 138 C GLN A 9 -42.606 1.603 12.564 1.00 0.00 C ATOM 139 O GLN A 9 -43.794 1.489 12.861 1.00 0.00 O ATOM 140 CB GLN A 9 -42.273 2.670 10.303 1.00 0.00 C ATOM 141 CG GLN A 9 -43.718 2.315 9.946 1.00 0.00 C ATOM 142 CD GLN A 9 -44.219 3.170 8.780 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.568 3.317 7.758 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.410 3.724 8.989 1.00 0.00 N ATOM 0 H GLN A 9 -40.088 3.160 11.365 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.716 3.694 12.119 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -41.985 3.591 9.796 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.604 1.887 9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -43.783 1.259 9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.359 2.466 10.815 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -45.902 3.560 9.868 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -45.832 4.313 8.271 1.00 0.00 H new ATOM 153 N ARG A 10 -41.672 0.707 12.848 1.00 0.00 N ATOM 154 CA ARG A 10 -42.000 -0.517 13.557 1.00 0.00 C ATOM 155 C ARG A 10 -42.672 -0.193 14.893 1.00 0.00 C ATOM 156 O ARG A 10 -43.359 -1.037 15.468 1.00 0.00 O ATOM 157 CB ARG A 10 -40.748 -1.358 13.814 1.00 0.00 C ATOM 158 CG ARG A 10 -40.778 -2.650 12.996 1.00 0.00 C ATOM 159 CD ARG A 10 -39.446 -2.875 12.277 1.00 0.00 C ATOM 160 NE ARG A 10 -39.093 -4.311 12.304 1.00 0.00 N ATOM 161 CZ ARG A 10 -38.143 -4.866 11.537 1.00 0.00 C ATOM 162 NH1 ARG A 10 -37.447 -4.108 10.680 1.00 0.00 N ATOM 163 NH2 ARG A 10 -37.891 -6.179 11.630 1.00 0.00 N ATOM 0 H ARG A 10 -40.688 0.805 12.599 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.685 -1.089 12.931 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.859 -0.781 13.557 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.678 -1.597 14.875 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -40.989 -3.495 13.652 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -41.586 -2.604 12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -39.517 -2.529 11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -38.661 -2.290 12.756 1.00 0.00 H new ATOM 0 HE ARG A 10 -39.604 -4.917 12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -37.639 -3.109 10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -36.724 -4.530 10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -38.421 -6.755 12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -37.169 -6.602 11.047 1.00 0.00 H new ATOM 177 N LYS A 11 -42.451 1.031 15.349 1.00 0.00 N ATOM 178 CA LYS A 11 -43.025 1.476 16.607 1.00 0.00 C ATOM 179 C LYS A 11 -43.759 2.801 16.387 1.00 0.00 C ATOM 180 O LYS A 11 -43.667 3.710 17.210 1.00 0.00 O ATOM 181 CB LYS A 11 -41.950 1.542 17.695 1.00 0.00 C ATOM 182 CG LYS A 11 -41.902 0.241 18.498 1.00 0.00 C ATOM 183 CD LYS A 11 -40.558 0.086 19.211 1.00 0.00 C ATOM 184 CE LYS A 11 -40.619 -1.024 20.262 1.00 0.00 C ATOM 185 NZ LYS A 11 -39.935 -0.601 21.504 1.00 0.00 N ATOM 0 H LYS A 11 -41.882 1.729 14.869 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.762 0.757 16.964 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.977 1.728 17.239 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -42.155 2.379 18.363 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -42.709 0.232 19.230 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -42.065 -0.607 17.833 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -39.780 -0.141 18.482 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -40.284 1.028 19.687 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -41.658 -1.271 20.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -40.151 -1.928 19.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -39.986 -1.366 22.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -38.939 -0.388 21.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -40.399 0.249 21.884 1.00 0.00 H new ATOM 199 N THR A 12 -44.471 2.867 15.272 1.00 0.00 N ATOM 200 CA THR A 12 -45.220 4.065 14.933 1.00 0.00 C ATOM 201 C THR A 12 -44.310 5.089 14.250 1.00 0.00 C ATOM 202 O THR A 12 -43.107 5.126 14.509 1.00 0.00 O ATOM 203 CB THR A 12 -45.873 4.592 16.211 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.264 3.415 16.912 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.193 5.318 15.939 1.00 0.00 C ATOM 0 H THR A 12 -44.545 2.111 14.592 1.00 0.00 H new ATOM 0 HA THR A 12 -46.009 3.846 14.213 1.00 0.00 H new ATOM 0 HB THR A 12 -45.184 5.268 16.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.695 3.665 17.756 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.614 5.672 16.880 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.012 6.167 15.280 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.894 4.632 15.463 1.00 0.00 H new ATOM 213 N VAL A 13 -44.917 5.894 13.391 1.00 0.00 N ATOM 214 CA VAL A 13 -44.176 6.914 12.669 1.00 0.00 C ATOM 215 C VAL A 13 -44.838 8.275 12.895 1.00 0.00 C ATOM 216 O VAL A 13 -45.793 8.385 13.663 1.00 0.00 O ATOM 217 CB VAL A 13 -44.072 6.538 11.190 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.356 6.902 10.441 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.853 7.196 10.541 1.00 0.00 C ATOM 0 H VAL A 13 -45.914 5.861 13.179 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.155 6.982 13.045 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.942 5.458 11.127 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.256 6.624 9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.198 6.366 10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.530 7.975 10.517 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.803 6.912 9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.939 8.280 10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.947 6.866 11.050 1.00 0.00 H new ATOM 229 N LYS A 14 -44.306 9.277 12.212 1.00 0.00 N ATOM 230 CA LYS A 14 -44.834 10.626 12.328 1.00 0.00 C ATOM 231 C LYS A 14 -45.068 11.200 10.930 1.00 0.00 C ATOM 232 O LYS A 14 -44.141 11.281 10.124 1.00 0.00 O ATOM 233 CB LYS A 14 -43.917 11.487 13.200 1.00 0.00 C ATOM 234 CG LYS A 14 -44.556 12.846 13.492 1.00 0.00 C ATOM 235 CD LYS A 14 -44.007 13.442 14.790 1.00 0.00 C ATOM 236 CE LYS A 14 -43.111 14.649 14.504 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.408 15.751 15.446 1.00 0.00 N ATOM 0 H LYS A 14 -43.514 9.182 11.576 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.799 10.614 12.834 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.709 10.970 14.137 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.961 11.631 12.697 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.363 13.528 12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.638 12.735 13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -44.833 13.743 15.434 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.440 12.684 15.331 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -42.064 14.360 14.592 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -43.264 14.988 13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -42.791 16.562 15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -44.402 16.037 15.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.240 15.429 16.421 1.00 0.00 H new ATOM 251 N CYS A 15 -46.312 11.583 10.683 1.00 0.00 N ATOM 252 CA CYS A 15 -46.680 12.148 9.395 1.00 0.00 C ATOM 253 C CYS A 15 -46.477 13.663 9.459 1.00 0.00 C ATOM 254 O CYS A 15 -47.185 14.358 10.187 1.00 0.00 O ATOM 255 CB CYS A 15 -48.112 11.780 9.004 1.00 0.00 C ATOM 256 SG CYS A 15 -48.422 12.232 7.259 1.00 0.00 S ATOM 0 H CYS A 15 -47.078 11.513 11.353 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.042 11.730 8.616 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.273 10.711 9.145 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.819 12.297 9.653 1.00 0.00 H new ATOM 0 HG CYS A 15 -48.995 11.238 6.648 1.00 0.00 H new ATOM 261 N PHE A 16 -45.508 14.131 8.687 1.00 0.00 N ATOM 262 CA PHE A 16 -45.203 15.552 8.646 1.00 0.00 C ATOM 263 C PHE A 16 -46.145 16.287 7.691 1.00 0.00 C ATOM 264 O PHE A 16 -45.962 17.474 7.424 1.00 0.00 O ATOM 265 CB PHE A 16 -43.768 15.687 8.134 1.00 0.00 C ATOM 266 CG PHE A 16 -43.666 15.917 6.625 1.00 0.00 C ATOM 267 CD1 PHE A 16 -43.726 17.180 6.124 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.515 14.859 5.785 1.00 0.00 C ATOM 269 CE1 PHE A 16 -43.630 17.393 4.723 1.00 0.00 C ATOM 270 CE2 PHE A 16 -43.419 15.071 4.384 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.479 16.334 3.883 1.00 0.00 C ATOM 0 H PHE A 16 -44.923 13.552 8.084 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.323 15.987 9.638 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.285 16.516 8.651 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.214 14.784 8.392 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -43.847 18.021 6.791 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.468 13.856 6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -43.677 18.396 4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -43.298 14.230 3.717 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.407 16.496 2.818 1.00 0.00 H new ATOM 281 N ASN A 17 -47.133 15.552 7.203 1.00 0.00 N ATOM 282 CA ASN A 17 -48.105 16.120 6.283 1.00 0.00 C ATOM 283 C ASN A 17 -49.407 16.404 7.034 1.00 0.00 C ATOM 284 O ASN A 17 -49.872 17.542 7.068 1.00 0.00 O ATOM 285 CB ASN A 17 -48.418 15.148 5.143 1.00 0.00 C ATOM 286 CG ASN A 17 -49.725 15.527 4.443 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.541 14.498 4.228 1.00 0.00 O flip ATOM 288 ND2 ASN A 17 -49.976 16.676 4.121 1.00 0.00 N flip ATOM 0 H ASN A 17 -47.282 14.568 7.427 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.683 17.036 5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.601 15.152 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.492 14.134 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -49.305 17.419 4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.857 16.895 3.657 1.00 0.00 H new ATOM 295 N CYS A 18 -49.958 15.350 7.617 1.00 0.00 N ATOM 296 CA CYS A 18 -51.198 15.471 8.366 1.00 0.00 C ATOM 297 C CYS A 18 -50.849 15.748 9.830 1.00 0.00 C ATOM 298 O CYS A 18 -51.585 16.446 10.526 1.00 0.00 O ATOM 299 CB CYS A 18 -52.076 14.227 8.212 1.00 0.00 C ATOM 300 SG CYS A 18 -51.296 12.804 9.058 1.00 0.00 S ATOM 0 H CYS A 18 -49.569 14.408 7.586 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.786 16.300 7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.064 14.414 8.633 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.218 14.000 7.155 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.281 12.387 8.360 1.00 0.00 H new ATOM 305 N GLY A 19 -49.729 15.184 10.255 1.00 0.00 N ATOM 306 CA GLY A 19 -49.274 15.360 11.623 1.00 0.00 C ATOM 307 C GLY A 19 -49.464 14.078 12.434 1.00 0.00 C ATOM 308 O GLY A 19 -48.637 13.746 13.282 1.00 0.00 O ATOM 0 H GLY A 19 -49.122 14.604 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.222 15.644 11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.825 16.176 12.091 1.00 0.00 H new ATOM 312 N LYS A 20 -50.560 13.389 12.145 1.00 0.00 N ATOM 313 CA LYS A 20 -50.869 12.150 12.837 1.00 0.00 C ATOM 314 C LYS A 20 -49.631 11.251 12.841 1.00 0.00 C ATOM 315 O LYS A 20 -48.611 11.589 12.242 1.00 0.00 O ATOM 316 CB LYS A 20 -52.106 11.489 12.225 1.00 0.00 C ATOM 317 CG LYS A 20 -53.028 10.937 13.314 1.00 0.00 C ATOM 318 CD LYS A 20 -54.443 10.717 12.775 1.00 0.00 C ATOM 319 CE LYS A 20 -54.865 9.253 12.922 1.00 0.00 C ATOM 320 NZ LYS A 20 -55.819 9.100 14.042 1.00 0.00 N ATOM 0 H LYS A 20 -51.244 13.666 11.441 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.123 12.348 13.878 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.648 12.215 11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.800 10.682 11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.628 9.996 13.691 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.059 11.630 14.155 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -55.144 11.357 13.311 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.485 11.008 11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.323 8.905 11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -53.987 8.631 13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -56.096 8.101 14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -55.369 9.413 14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -56.664 9.679 13.860 1.00 0.00 H new ATOM 334 N GLU A 21 -49.761 10.123 13.525 1.00 0.00 N ATOM 335 CA GLU A 21 -48.665 9.173 13.616 1.00 0.00 C ATOM 336 C GLU A 21 -49.122 7.788 13.153 1.00 0.00 C ATOM 337 O GLU A 21 -50.320 7.503 13.126 1.00 0.00 O ATOM 338 CB GLU A 21 -48.105 9.116 15.039 1.00 0.00 C ATOM 339 CG GLU A 21 -49.230 8.984 16.067 1.00 0.00 C ATOM 340 CD GLU A 21 -49.394 10.276 16.871 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.385 10.700 17.474 1.00 0.00 O ATOM 342 OE2 GLU A 21 -50.524 10.808 16.863 1.00 0.00 O ATOM 0 H GLU A 21 -50.608 9.846 14.021 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.864 9.510 12.958 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.423 8.271 15.131 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.526 10.017 15.242 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.165 8.746 15.559 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.015 8.156 16.743 1.00 0.00 H new ATOM 349 N GLY A 22 -48.147 6.966 12.798 1.00 0.00 N ATOM 350 CA GLY A 22 -48.435 5.618 12.337 1.00 0.00 C ATOM 351 C GLY A 22 -48.046 5.446 10.867 1.00 0.00 C ATOM 352 O GLY A 22 -47.647 4.361 10.449 1.00 0.00 O ATOM 0 H GLY A 22 -47.156 7.207 12.820 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -47.891 4.897 12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.497 5.406 12.463 1.00 0.00 H new ATOM 356 N HIS A 23 -48.178 6.536 10.123 1.00 0.00 N ATOM 357 CA HIS A 23 -47.844 6.520 8.709 1.00 0.00 C ATOM 358 C HIS A 23 -47.137 7.823 8.333 1.00 0.00 C ATOM 359 O HIS A 23 -47.086 8.758 9.131 1.00 0.00 O ATOM 360 CB HIS A 23 -49.091 6.256 7.861 1.00 0.00 C ATOM 361 CG HIS A 23 -50.035 7.430 7.775 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.225 7.490 8.481 1.00 0.00 N ATOM 363 CD2 HIS A 23 -49.954 8.590 7.062 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.824 8.636 8.196 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.034 9.318 7.316 1.00 0.00 N ATOM 0 H HIS A 23 -48.511 7.434 10.473 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.154 5.702 8.503 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.781 5.978 6.854 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.626 5.402 8.277 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.146 8.869 6.402 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.771 8.972 8.591 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.240 10.235 6.920 1.00 0.00 H new ATOM 373 N ILE A 24 -46.608 7.843 7.119 1.00 0.00 N ATOM 374 CA ILE A 24 -45.906 9.016 6.627 1.00 0.00 C ATOM 375 C ILE A 24 -46.700 9.637 5.476 1.00 0.00 C ATOM 376 O ILE A 24 -47.564 8.985 4.891 1.00 0.00 O ATOM 377 CB ILE A 24 -44.464 8.662 6.259 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.419 7.460 5.313 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.617 8.437 7.513 1.00 0.00 C ATOM 380 CD1 ILE A 24 -42.979 7.129 4.913 1.00 0.00 C ATOM 0 H ILE A 24 -46.651 7.065 6.461 1.00 0.00 H new ATOM 0 HA ILE A 24 -45.835 9.772 7.409 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.030 9.508 5.726 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -44.874 6.595 5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.008 7.673 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.597 8.187 7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.611 9.345 8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.040 7.618 8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -42.976 6.271 4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.535 7.987 4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.399 6.893 5.805 1.00 0.00 H new ATOM 392 N ALA A 25 -46.380 10.889 5.185 1.00 0.00 N ATOM 393 CA ALA A 25 -47.053 11.605 4.115 1.00 0.00 C ATOM 394 C ALA A 25 -46.948 10.794 2.821 1.00 0.00 C ATOM 395 O ALA A 25 -47.880 10.777 2.018 1.00 0.00 O ATOM 396 CB ALA A 25 -46.449 13.004 3.978 1.00 0.00 C ATOM 0 H ALA A 25 -45.663 11.426 5.672 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.112 11.729 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -46.954 13.541 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.575 13.548 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.387 12.921 3.747 1.00 0.00 H new ATOM 402 N LYS A 26 -45.806 10.143 2.660 1.00 0.00 N ATOM 403 CA LYS A 26 -45.566 9.333 1.477 1.00 0.00 C ATOM 404 C LYS A 26 -46.831 8.540 1.143 1.00 0.00 C ATOM 405 O LYS A 26 -47.077 8.217 -0.018 1.00 0.00 O ATOM 406 CB LYS A 26 -44.326 8.459 1.669 1.00 0.00 C ATOM 407 CG LYS A 26 -44.656 6.982 1.441 1.00 0.00 C ATOM 408 CD LYS A 26 -43.492 6.087 1.874 1.00 0.00 C ATOM 409 CE LYS A 26 -42.148 6.746 1.559 1.00 0.00 C ATOM 410 NZ LYS A 26 -41.036 5.958 2.136 1.00 0.00 N ATOM 0 H LYS A 26 -45.036 10.160 3.329 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.350 9.968 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.545 8.772 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -43.932 8.596 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.552 6.715 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -44.877 6.813 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.561 5.886 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.558 5.126 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.021 6.829 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.130 7.759 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -40.229 6.585 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -41.349 5.514 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -40.748 5.220 1.463 1.00 0.00 H new ATOM 424 N ASN A 27 -47.602 8.251 2.182 1.00 0.00 N ATOM 425 CA ASN A 27 -48.836 7.503 2.013 1.00 0.00 C ATOM 426 C ASN A 27 -49.836 7.927 3.090 1.00 0.00 C ATOM 427 O ASN A 27 -50.323 7.094 3.853 1.00 0.00 O ATOM 428 CB ASN A 27 -48.592 5.999 2.161 1.00 0.00 C ATOM 429 CG ASN A 27 -47.345 5.726 3.003 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.247 6.487 4.088 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.526 4.878 2.688 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.396 8.522 3.144 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.222 7.710 1.015 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.459 5.530 2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.476 5.547 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.662 4.327 1.840 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.705 4.720 3.273 1.00 0.00 H new ATOM 438 N CYS A 28 -50.113 9.223 3.119 1.00 0.00 N ATOM 439 CA CYS A 28 -51.046 9.768 4.089 1.00 0.00 C ATOM 440 C CYS A 28 -52.461 9.359 3.677 1.00 0.00 C ATOM 441 O CYS A 28 -52.754 9.230 2.489 1.00 0.00 O ATOM 442 CB CYS A 28 -50.905 11.286 4.219 1.00 0.00 C ATOM 443 SG CYS A 28 -52.044 11.912 5.508 1.00 0.00 S ATOM 0 H CYS A 28 -49.707 9.911 2.485 1.00 0.00 H new ATOM 0 HA CYS A 28 -50.825 9.363 5.077 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -49.877 11.544 4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.126 11.763 3.264 1.00 0.00 H new ATOM 0 HG CYS A 28 -51.383 12.117 6.609 1.00 0.00 H new ATOM 448 N ARG A 29 -53.303 9.166 4.682 1.00 0.00 N ATOM 449 CA ARG A 29 -54.682 8.775 4.438 1.00 0.00 C ATOM 450 C ARG A 29 -55.640 9.755 5.118 1.00 0.00 C ATOM 451 O ARG A 29 -56.687 9.354 5.625 1.00 0.00 O ATOM 452 CB ARG A 29 -54.953 7.362 4.959 1.00 0.00 C ATOM 453 CG ARG A 29 -56.333 6.870 4.517 1.00 0.00 C ATOM 454 CD ARG A 29 -56.212 5.828 3.403 1.00 0.00 C ATOM 455 NE ARG A 29 -56.470 6.458 2.090 1.00 0.00 N ATOM 456 CZ ARG A 29 -56.879 5.789 1.003 1.00 0.00 C ATOM 457 NH1 ARG A 29 -57.078 4.466 1.066 1.00 0.00 N ATOM 458 NH2 ARG A 29 -57.088 6.444 -0.148 1.00 0.00 N ATOM 0 H ARG A 29 -53.057 9.273 5.666 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.846 8.791 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.185 6.681 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -54.891 7.354 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -56.859 6.438 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -56.929 7.713 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -55.216 5.386 3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -56.922 5.018 3.573 1.00 0.00 H new ATOM 0 HE ARG A 29 -56.328 7.465 2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -56.918 3.967 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -57.389 3.957 0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -56.936 7.451 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -57.399 5.935 -0.975 1.00 0.00 H new ATOM 472 N ALA A 30 -55.248 11.020 5.108 1.00 0.00 N ATOM 473 CA ALA A 30 -56.058 12.061 5.718 1.00 0.00 C ATOM 474 C ALA A 30 -57.362 12.210 4.932 1.00 0.00 C ATOM 475 O ALA A 30 -57.348 12.263 3.703 1.00 0.00 O ATOM 476 CB ALA A 30 -55.259 13.364 5.775 1.00 0.00 C ATOM 0 H ALA A 30 -54.379 11.348 4.687 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.318 11.795 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.867 14.144 6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.357 13.212 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.982 13.666 4.765 1.00 0.00 H new ATOM 482 N PRO A 31 -58.488 12.277 5.693 1.00 0.00 N ATOM 483 CA PRO A 31 -59.798 12.421 5.081 1.00 0.00 C ATOM 484 C PRO A 31 -60.014 13.847 4.575 1.00 0.00 C ATOM 485 O PRO A 31 -61.032 14.469 4.874 1.00 0.00 O ATOM 486 CB PRO A 31 -60.784 12.019 6.165 1.00 0.00 C ATOM 487 CG PRO A 31 -60.023 12.113 7.477 1.00 0.00 C ATOM 488 CD PRO A 31 -58.542 12.218 7.151 1.00 0.00 C ATOM 0 HA PRO A 31 -59.920 11.795 4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.651 12.679 6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -61.154 11.007 6.000 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.351 12.982 8.047 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.217 11.236 8.094 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.099 13.107 7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -57.990 11.359 7.534 1.00 0.00 H new ATOM 496 N ARG A 32 -59.039 14.327 3.817 1.00 0.00 N ATOM 497 CA ARG A 32 -59.109 15.670 3.267 1.00 0.00 C ATOM 498 C ARG A 32 -58.982 15.627 1.743 1.00 0.00 C ATOM 499 O ARG A 32 -58.274 14.780 1.199 1.00 0.00 O ATOM 500 CB ARG A 32 -58.002 16.558 3.839 1.00 0.00 C ATOM 501 CG ARG A 32 -58.585 17.830 4.460 1.00 0.00 C ATOM 502 CD ARG A 32 -59.345 17.512 5.749 1.00 0.00 C ATOM 503 NE ARG A 32 -59.462 18.731 6.581 1.00 0.00 N ATOM 504 CZ ARG A 32 -60.385 18.902 7.537 1.00 0.00 C ATOM 505 NH1 ARG A 32 -61.278 17.934 7.787 1.00 0.00 N ATOM 506 NH2 ARG A 32 -60.417 20.041 8.242 1.00 0.00 N ATOM 0 H ARG A 32 -58.195 13.809 3.571 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.076 16.091 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -57.441 16.006 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -57.299 16.824 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -57.782 18.536 4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -59.255 18.312 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -60.337 17.128 5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -58.825 16.731 6.304 1.00 0.00 H new ATOM 0 HE ARG A 32 -58.798 19.488 6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -61.255 17.067 7.249 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -61.981 18.064 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -59.739 20.778 8.051 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -61.120 20.171 8.970 1.00 0.00 H new ATOM 520 N LYS A 33 -59.677 16.551 1.096 1.00 0.00 N ATOM 521 CA LYS A 33 -59.651 16.628 -0.355 1.00 0.00 C ATOM 522 C LYS A 33 -58.562 17.611 -0.788 1.00 0.00 C ATOM 523 O LYS A 33 -57.508 17.199 -1.272 1.00 0.00 O ATOM 524 CB LYS A 33 -61.040 16.972 -0.897 1.00 0.00 C ATOM 525 CG LYS A 33 -61.696 15.747 -1.537 1.00 0.00 C ATOM 526 CD LYS A 33 -63.163 15.628 -1.117 1.00 0.00 C ATOM 527 CE LYS A 33 -63.781 14.332 -1.644 1.00 0.00 C ATOM 528 NZ LYS A 33 -65.259 14.401 -1.586 1.00 0.00 N ATOM 0 H LYS A 33 -60.262 17.253 1.550 1.00 0.00 H new ATOM 0 HA LYS A 33 -59.397 15.659 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -61.668 17.345 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -60.960 17.772 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -61.630 15.820 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -61.156 14.846 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -63.237 15.654 -0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -63.724 16.483 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -63.459 14.160 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -63.427 13.487 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -65.662 13.513 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -65.562 14.543 -0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -65.593 15.195 -2.169 1.00 0.00 H new ATOM 542 N LYS A 34 -58.852 18.889 -0.598 1.00 0.00 N ATOM 543 CA LYS A 34 -57.910 19.932 -0.964 1.00 0.00 C ATOM 544 C LYS A 34 -58.115 21.143 -0.052 1.00 0.00 C ATOM 545 O LYS A 34 -59.174 21.770 -0.075 1.00 0.00 O ATOM 546 CB LYS A 34 -58.024 20.260 -2.455 1.00 0.00 C ATOM 547 CG LYS A 34 -56.970 19.503 -3.265 1.00 0.00 C ATOM 548 CD LYS A 34 -57.535 19.048 -4.612 1.00 0.00 C ATOM 549 CE LYS A 34 -56.427 18.502 -5.515 1.00 0.00 C ATOM 550 NZ LYS A 34 -57.006 17.698 -6.615 1.00 0.00 N ATOM 0 H LYS A 34 -59.726 19.226 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.887 19.588 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -59.020 19.999 -2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -57.902 21.333 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -56.103 20.143 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -56.625 18.637 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -58.291 18.279 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -58.031 19.885 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -55.845 19.327 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -55.742 17.889 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -56.241 17.334 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -57.542 16.900 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -57.642 18.294 -7.183 1.00 0.00 H new ATOM 564 N GLY A 35 -57.088 21.435 0.732 1.00 0.00 N ATOM 565 CA GLY A 35 -57.143 22.559 1.651 1.00 0.00 C ATOM 566 C GLY A 35 -55.737 23.011 2.049 1.00 0.00 C ATOM 567 O GLY A 35 -54.800 22.215 2.041 1.00 0.00 O ATOM 0 H GLY A 35 -56.212 20.912 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.677 23.388 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.704 22.278 2.542 1.00 0.00 H new ATOM 571 N CYS A 36 -55.634 24.288 2.389 1.00 0.00 N ATOM 572 CA CYS A 36 -54.358 24.856 2.790 1.00 0.00 C ATOM 573 C CYS A 36 -54.004 24.311 4.175 1.00 0.00 C ATOM 574 O CYS A 36 -54.578 24.734 5.178 1.00 0.00 O ATOM 575 CB CYS A 36 -54.387 26.385 2.768 1.00 0.00 C ATOM 576 SG CYS A 36 -52.730 27.048 3.169 1.00 0.00 S ATOM 0 H CYS A 36 -56.414 24.945 2.395 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.587 24.563 2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.700 26.737 1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.119 26.753 3.487 1.00 0.00 H new ATOM 0 HG CYS A 36 -52.775 27.665 4.312 1.00 0.00 H new ATOM 581 N TRP A 37 -53.061 23.381 4.186 1.00 0.00 N ATOM 582 CA TRP A 37 -52.624 22.774 5.432 1.00 0.00 C ATOM 583 C TRP A 37 -51.476 23.618 5.992 1.00 0.00 C ATOM 584 O TRP A 37 -50.745 23.169 6.873 1.00 0.00 O ATOM 585 CB TRP A 37 -52.242 21.307 5.223 1.00 0.00 C ATOM 586 CG TRP A 37 -50.753 21.017 5.429 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.192 20.160 6.293 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.654 21.622 4.717 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.815 20.169 6.190 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.477 21.087 5.202 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.651 22.590 3.697 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.214 21.456 4.727 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.380 22.949 3.234 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.187 22.419 3.711 1.00 0.00 C ATOM 0 H TRP A 37 -52.587 23.033 3.352 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.435 22.762 6.161 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.821 20.690 5.910 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.524 21.009 4.213 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.747 19.541 6.983 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.165 19.606 6.738 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.558 23.022 3.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.308 21.021 5.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.322 23.690 2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.244 22.748 3.300 1.00 0.00 H new ATOM 605 N LYS A 38 -51.355 24.823 5.456 1.00 0.00 N ATOM 606 CA LYS A 38 -50.309 25.733 5.890 1.00 0.00 C ATOM 607 C LYS A 38 -50.918 26.812 6.787 1.00 0.00 C ATOM 608 O LYS A 38 -50.271 27.287 7.720 1.00 0.00 O ATOM 609 CB LYS A 38 -49.549 26.291 4.685 1.00 0.00 C ATOM 610 CG LYS A 38 -48.519 27.334 5.122 1.00 0.00 C ATOM 611 CD LYS A 38 -49.170 28.707 5.300 1.00 0.00 C ATOM 612 CE LYS A 38 -48.686 29.380 6.586 1.00 0.00 C ATOM 613 NZ LYS A 38 -49.649 30.416 7.023 1.00 0.00 N ATOM 0 H LYS A 38 -51.964 25.191 4.725 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.567 25.203 6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.048 25.479 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.252 26.740 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.056 27.023 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -47.724 27.398 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -48.935 29.339 4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -50.254 28.599 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -48.565 28.633 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.707 29.831 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -49.195 31.040 7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -49.951 30.978 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -50.478 29.960 7.454 1.00 0.00 H new ATOM 627 N CYS A 39 -52.155 27.169 6.473 1.00 0.00 N ATOM 628 CA CYS A 39 -52.859 28.184 7.239 1.00 0.00 C ATOM 629 C CYS A 39 -53.985 27.502 8.019 1.00 0.00 C ATOM 630 O CYS A 39 -54.185 27.783 9.200 1.00 0.00 O ATOM 631 CB CYS A 39 -53.384 29.307 6.342 1.00 0.00 C ATOM 632 SG CYS A 39 -54.619 28.642 5.166 1.00 0.00 S ATOM 0 H CYS A 39 -52.688 26.773 5.698 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.170 28.659 7.938 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -53.835 30.090 6.952 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -52.559 29.764 5.796 1.00 0.00 H new ATOM 0 HG CYS A 39 -54.083 28.538 3.986 1.00 0.00 H new ATOM 637 N GLY A 40 -54.691 26.620 7.328 1.00 0.00 N ATOM 638 CA GLY A 40 -55.791 25.896 7.940 1.00 0.00 C ATOM 639 C GLY A 40 -57.125 26.273 7.290 1.00 0.00 C ATOM 640 O GLY A 40 -58.167 26.238 7.941 1.00 0.00 O ATOM 0 H GLY A 40 -54.522 26.390 6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.625 24.823 7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -55.827 26.116 9.007 1.00 0.00 H new ATOM 644 N LYS A 41 -57.047 26.624 6.016 1.00 0.00 N ATOM 645 CA LYS A 41 -58.234 27.006 5.271 1.00 0.00 C ATOM 646 C LYS A 41 -58.376 26.102 4.046 1.00 0.00 C ATOM 647 O LYS A 41 -57.515 26.102 3.166 1.00 0.00 O ATOM 648 CB LYS A 41 -58.197 28.498 4.933 1.00 0.00 C ATOM 649 CG LYS A 41 -59.113 29.294 5.864 1.00 0.00 C ATOM 650 CD LYS A 41 -58.524 30.674 6.165 1.00 0.00 C ATOM 651 CE LYS A 41 -59.599 31.759 6.084 1.00 0.00 C ATOM 652 NZ LYS A 41 -60.530 31.655 7.229 1.00 0.00 N ATOM 0 H LYS A 41 -56.180 26.652 5.480 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.127 26.862 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.175 28.869 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.505 28.648 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.095 29.406 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.257 28.745 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -58.077 30.673 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -57.725 30.895 5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -59.130 32.743 6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -60.151 31.663 5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -61.253 32.399 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -60.991 30.723 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.002 31.770 8.117 1.00 0.00 H new ATOM 666 N GLU A 42 -59.468 25.351 4.027 1.00 0.00 N ATOM 667 CA GLU A 42 -59.733 24.444 2.923 1.00 0.00 C ATOM 668 C GLU A 42 -60.185 25.227 1.688 1.00 0.00 C ATOM 669 O GLU A 42 -60.547 26.398 1.791 1.00 0.00 O ATOM 670 CB GLU A 42 -60.772 23.391 3.316 1.00 0.00 C ATOM 671 CG GLU A 42 -62.141 24.033 3.546 1.00 0.00 C ATOM 672 CD GLU A 42 -63.069 23.085 4.309 1.00 0.00 C ATOM 673 OE1 GLU A 42 -63.090 21.891 3.941 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.737 23.577 5.245 1.00 0.00 O ATOM 0 H GLU A 42 -60.179 25.352 4.758 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.808 23.921 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.846 22.638 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.450 22.877 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.022 24.961 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.590 24.294 2.588 1.00 0.00 H new ATOM 681 N GLY A 43 -60.151 24.548 0.551 1.00 0.00 N ATOM 682 CA GLY A 43 -60.553 25.165 -0.701 1.00 0.00 C ATOM 683 C GLY A 43 -59.332 25.576 -1.527 1.00 0.00 C ATOM 684 O GLY A 43 -59.415 25.692 -2.748 1.00 0.00 O ATOM 0 H GLY A 43 -59.851 23.576 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -61.166 24.469 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -61.170 26.040 -0.498 1.00 0.00 H new ATOM 688 N HIS A 44 -58.227 25.785 -0.826 1.00 0.00 N ATOM 689 CA HIS A 44 -56.990 26.180 -1.479 1.00 0.00 C ATOM 690 C HIS A 44 -55.819 25.405 -0.872 1.00 0.00 C ATOM 691 O HIS A 44 -56.019 24.518 -0.044 1.00 0.00 O ATOM 692 CB HIS A 44 -56.799 27.696 -1.407 1.00 0.00 C ATOM 693 CG HIS A 44 -56.294 28.190 -0.072 1.00 0.00 C ATOM 694 ND1 HIS A 44 -57.089 28.238 1.059 1.00 0.00 N ATOM 695 CD2 HIS A 44 -55.067 28.654 0.299 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.364 28.712 2.060 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.110 28.970 1.588 1.00 0.00 N ATOM 0 H HIS A 44 -58.162 25.688 0.187 1.00 0.00 H new ATOM 0 HA HIS A 44 -57.037 25.928 -2.538 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -56.098 28.001 -2.184 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.749 28.182 -1.627 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -58.068 27.956 1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.206 28.749 -0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -56.705 28.867 3.073 1.00 0.00 H new ATOM 705 N GLN A 45 -54.622 25.768 -1.308 1.00 0.00 N ATOM 706 CA GLN A 45 -53.418 25.118 -0.818 1.00 0.00 C ATOM 707 C GLN A 45 -52.367 26.164 -0.439 1.00 0.00 C ATOM 708 O GLN A 45 -52.517 27.343 -0.756 1.00 0.00 O ATOM 709 CB GLN A 45 -52.866 24.135 -1.852 1.00 0.00 C ATOM 710 CG GLN A 45 -52.158 24.875 -2.989 1.00 0.00 C ATOM 711 CD GLN A 45 -50.784 24.264 -3.269 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.979 24.047 -2.379 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.562 23.999 -4.553 1.00 0.00 N ATOM 0 H GLN A 45 -54.460 26.504 -1.995 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.674 24.548 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -52.169 23.449 -1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.679 23.532 -2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.769 24.833 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -52.046 25.927 -2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -51.280 24.206 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.674 23.589 -4.843 1.00 0.00 H new ATOM 722 N MET A 46 -51.326 25.693 0.232 1.00 0.00 N ATOM 723 CA MET A 46 -50.250 26.573 0.657 1.00 0.00 C ATOM 724 C MET A 46 -49.692 27.367 -0.526 1.00 0.00 C ATOM 725 O MET A 46 -49.438 28.565 -0.409 1.00 0.00 O ATOM 726 CB MET A 46 -49.131 25.743 1.289 1.00 0.00 C ATOM 727 CG MET A 46 -47.900 26.606 1.571 1.00 0.00 C ATOM 728 SD MET A 46 -46.635 26.284 0.354 1.00 0.00 S ATOM 729 CE MET A 46 -45.744 24.973 1.172 1.00 0.00 C ATOM 0 H MET A 46 -51.205 24.714 0.492 1.00 0.00 H new ATOM 0 HA MET A 46 -50.648 27.277 1.387 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.486 25.295 2.217 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.860 24.924 0.623 1.00 0.00 H new ATOM 0 HG2 MET A 46 -48.174 27.661 1.552 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.518 26.393 2.569 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.913 24.651 0.544 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.359 25.335 2.126 1.00 0.00 H new ATOM 0 HE3 MET A 46 -46.414 24.131 1.347 1.00 0.00 H new ATOM 739 N LYS A 47 -49.517 26.668 -1.638 1.00 0.00 N ATOM 740 CA LYS A 47 -48.993 27.292 -2.840 1.00 0.00 C ATOM 741 C LYS A 47 -49.854 28.506 -3.195 1.00 0.00 C ATOM 742 O LYS A 47 -49.386 29.433 -3.856 1.00 0.00 O ATOM 743 CB LYS A 47 -48.881 26.268 -3.971 1.00 0.00 C ATOM 744 CG LYS A 47 -47.817 26.687 -4.987 1.00 0.00 C ATOM 745 CD LYS A 47 -46.737 25.611 -5.126 1.00 0.00 C ATOM 746 CE LYS A 47 -45.625 25.814 -4.096 1.00 0.00 C ATOM 747 NZ LYS A 47 -46.042 25.297 -2.774 1.00 0.00 N ATOM 0 H LYS A 47 -49.729 25.675 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.980 27.656 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.630 25.291 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -49.845 26.165 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -48.284 26.866 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -47.361 27.627 -4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -47.182 24.625 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -46.316 25.641 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -44.720 25.303 -4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -45.382 26.874 -4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -45.213 24.921 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -46.465 26.067 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -46.742 24.539 -2.903 1.00 0.00 H new ATOM 761 N ASP A 48 -51.098 28.464 -2.741 1.00 0.00 N ATOM 762 CA ASP A 48 -52.028 29.549 -3.001 1.00 0.00 C ATOM 763 C ASP A 48 -52.614 30.042 -1.677 1.00 0.00 C ATOM 764 O ASP A 48 -53.766 30.471 -1.625 1.00 0.00 O ATOM 765 CB ASP A 48 -53.187 29.081 -3.885 1.00 0.00 C ATOM 766 CG ASP A 48 -52.776 28.545 -5.259 1.00 0.00 C ATOM 767 OD1 ASP A 48 -51.881 29.170 -5.867 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.367 27.523 -5.668 1.00 0.00 O ATOM 0 H ASP A 48 -51.484 27.694 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.484 30.344 -3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -53.736 28.301 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.875 29.914 -4.027 1.00 0.00 H new ATOM 773 N CYS A 49 -51.793 29.967 -0.639 1.00 0.00 N ATOM 774 CA CYS A 49 -52.216 30.400 0.682 1.00 0.00 C ATOM 775 C CYS A 49 -52.678 31.856 0.584 1.00 0.00 C ATOM 776 O CYS A 49 -52.200 32.606 -0.265 1.00 0.00 O ATOM 777 CB CYS A 49 -51.104 30.223 1.718 1.00 0.00 C ATOM 778 SG CYS A 49 -51.782 30.432 3.405 1.00 0.00 S ATOM 0 H CYS A 49 -50.838 29.613 -0.686 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.044 29.779 1.024 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.656 29.235 1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.313 30.952 1.542 1.00 0.00 H new ATOM 0 HG CYS A 49 -52.327 29.318 3.795 1.00 0.00 H new ATOM 783 N THR A 50 -53.600 32.211 1.466 1.00 0.00 N ATOM 784 CA THR A 50 -54.131 33.563 1.491 1.00 0.00 C ATOM 785 C THR A 50 -54.020 34.155 2.897 1.00 0.00 C ATOM 786 O THR A 50 -54.777 35.055 3.258 1.00 0.00 O ATOM 787 CB THR A 50 -55.567 33.517 0.964 1.00 0.00 C ATOM 788 OG1 THR A 50 -56.231 32.615 1.845 1.00 0.00 O ATOM 789 CG2 THR A 50 -55.665 32.841 -0.406 1.00 0.00 C ATOM 0 H THR A 50 -53.993 31.585 2.169 1.00 0.00 H new ATOM 0 HA THR A 50 -53.553 34.226 0.847 1.00 0.00 H new ATOM 0 HB THR A 50 -55.963 34.530 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 50 -57.170 32.527 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 50 -56.704 32.834 -0.735 1.00 0.00 H new ATOM 0 HG22 THR A 50 -55.060 33.391 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 50 -55.301 31.816 -0.333 1.00 0.00 H new ATOM 797 N GLU A 51 -53.070 33.625 3.654 1.00 0.00 N ATOM 798 CA GLU A 51 -52.849 34.089 5.013 1.00 0.00 C ATOM 799 C GLU A 51 -51.519 33.553 5.548 1.00 0.00 C ATOM 800 O GLU A 51 -51.499 32.765 6.491 1.00 0.00 O ATOM 801 CB GLU A 51 -54.010 33.686 5.925 1.00 0.00 C ATOM 802 CG GLU A 51 -54.377 34.823 6.880 1.00 0.00 C ATOM 803 CD GLU A 51 -53.933 34.505 8.309 1.00 0.00 C ATOM 804 OE1 GLU A 51 -52.847 33.903 8.445 1.00 0.00 O ATOM 805 OE2 GLU A 51 -54.691 34.869 9.233 1.00 0.00 O ATOM 0 H GLU A 51 -52.444 32.878 3.352 1.00 0.00 H new ATOM 0 HA GLU A 51 -52.800 35.178 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -54.877 33.420 5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -53.737 32.799 6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -53.907 35.748 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -55.454 34.987 6.858 1.00 0.00 H new