USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 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 -117:sc= -0.63 USER MOD Set 1.2: A 39 CYS SG : rot -101:sc= -3! USER MOD Set 1.3: A 44 HIS :FLIP no HE2:sc= -7.71! C(o=-13!,f=-12!) USER MOD Set 1.4: A 49 CYS SG : rot 85:sc= -1.08 USER MOD Set 2.1: A 15 CYS SG : rot 142:sc= -1.04 USER MOD Set 2.2: A 18 CYS SG : rot -75:sc= -3.11! USER MOD Set 2.3: A 23 HIS : no HD1:sc= -2.87! C(o=-6.4!,f=-17!) USER MOD Set 2.4: A 28 CYS SG : rot 177:sc= 0.601 USER MOD Single : A 2 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.014) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.5) USER MOD Single : A 8 ASN :FLIP amide:sc= 0.185 F(o=-2.3!,f=0.18) USER MOD Single : A 9 GLN : amide:sc= -3.59! C(o=-3.6!,f=-5.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 87:sc= 0.932 USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 0.658 (180deg=0.526) USER MOD Single : A 17 ASN : amide:sc= -0.56 X(o=-0.56,f=-0.84) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -122:sc= -1.5! (180deg=-2.47!) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.24! C(o=-7.6!,f=-4.2!) 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= -6.68! C(o=-6.7!,f=-11!) 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 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -29.569 8.380 8.658 1.00 0.00 N ATOM 19 CA GLN A 2 -29.745 7.678 7.398 1.00 0.00 C ATOM 20 C GLN A 2 -31.217 7.314 7.195 1.00 0.00 C ATOM 21 O GLN A 2 -31.996 7.308 8.146 1.00 0.00 O ATOM 22 CB GLN A 2 -28.858 6.434 7.334 1.00 0.00 C ATOM 23 CG GLN A 2 -27.759 6.597 6.282 1.00 0.00 C ATOM 24 CD GLN A 2 -26.916 5.325 6.169 1.00 0.00 C ATOM 25 OE1 GLN A 2 -27.420 4.230 5.981 1.00 0.00 O ATOM 26 NE2 GLN A 2 -25.608 5.530 6.293 1.00 0.00 N ATOM 0 HA GLN A 2 -29.440 8.342 6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -28.408 6.253 8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -29.466 5.561 7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -28.207 6.828 5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -27.120 7.439 6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -25.252 6.473 6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -24.961 4.744 6.232 1.00 0.00 H new ATOM 35 N LYS A 3 -31.554 7.018 5.948 1.00 0.00 N ATOM 36 CA LYS A 3 -32.918 6.653 5.608 1.00 0.00 C ATOM 37 C LYS A 3 -33.325 5.414 6.408 1.00 0.00 C ATOM 38 O LYS A 3 -34.497 5.242 6.739 1.00 0.00 O ATOM 39 CB LYS A 3 -33.067 6.483 4.094 1.00 0.00 C ATOM 40 CG LYS A 3 -32.287 5.263 3.601 1.00 0.00 C ATOM 41 CD LYS A 3 -31.653 5.534 2.235 1.00 0.00 C ATOM 42 CE LYS A 3 -31.168 4.235 1.588 1.00 0.00 C ATOM 43 NZ LYS A 3 -30.492 4.516 0.303 1.00 0.00 N ATOM 0 H LYS A 3 -30.905 7.024 5.161 1.00 0.00 H new ATOM 0 HA LYS A 3 -33.605 7.452 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -34.121 6.373 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -32.708 7.378 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.511 5.007 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -32.954 4.404 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.379 6.020 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -30.816 6.222 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.482 3.721 2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -32.013 3.567 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.169 3.623 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.157 4.987 -0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -29.674 5.136 0.470 1.00 0.00 H new ATOM 57 N GLY A 4 -32.334 4.583 6.697 1.00 0.00 N ATOM 58 CA GLY A 4 -32.573 3.366 7.452 1.00 0.00 C ATOM 59 C GLY A 4 -33.176 3.680 8.823 1.00 0.00 C ATOM 60 O GLY A 4 -33.893 2.859 9.393 1.00 0.00 O ATOM 0 H GLY A 4 -31.363 4.730 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.247 2.715 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.637 2.823 7.579 1.00 0.00 H new ATOM 64 N ASN A 5 -32.863 4.871 9.312 1.00 0.00 N ATOM 65 CA ASN A 5 -33.365 5.304 10.606 1.00 0.00 C ATOM 66 C ASN A 5 -34.894 5.276 10.591 1.00 0.00 C ATOM 67 O ASN A 5 -35.527 5.150 11.638 1.00 0.00 O ATOM 68 CB ASN A 5 -32.921 6.735 10.916 1.00 0.00 C ATOM 69 CG ASN A 5 -33.443 7.187 12.282 1.00 0.00 C ATOM 70 OD1 ASN A 5 -34.604 7.524 12.452 1.00 0.00 O ATOM 71 ND2 ASN A 5 -32.524 7.173 13.243 1.00 0.00 N ATOM 0 H ASN A 5 -32.268 5.550 8.836 1.00 0.00 H new ATOM 0 HA ASN A 5 -32.968 4.630 11.365 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -31.833 6.793 10.901 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -33.287 7.409 10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -32.773 7.456 14.191 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -31.570 6.880 13.032 1.00 0.00 H new ATOM 78 N PHE A 6 -35.444 5.393 9.391 1.00 0.00 N ATOM 79 CA PHE A 6 -36.887 5.382 9.225 1.00 0.00 C ATOM 80 C PHE A 6 -37.487 4.067 9.727 1.00 0.00 C ATOM 81 O PHE A 6 -38.695 3.971 9.940 1.00 0.00 O ATOM 82 CB PHE A 6 -37.168 5.517 7.728 1.00 0.00 C ATOM 83 CG PHE A 6 -38.645 5.379 7.355 1.00 0.00 C ATOM 84 CD1 PHE A 6 -39.534 6.338 7.729 1.00 0.00 C ATOM 85 CD2 PHE A 6 -39.070 4.295 6.652 1.00 0.00 C ATOM 86 CE1 PHE A 6 -40.905 6.209 7.383 1.00 0.00 C ATOM 87 CE2 PHE A 6 -40.442 4.165 6.307 1.00 0.00 C ATOM 88 CZ PHE A 6 -41.329 5.126 6.679 1.00 0.00 C ATOM 0 H PHE A 6 -34.916 5.496 8.525 1.00 0.00 H new ATOM 0 HA PHE A 6 -37.332 6.196 9.797 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -36.808 6.488 7.388 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -36.597 4.759 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -39.197 7.198 8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -38.364 3.533 6.356 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -41.611 6.971 7.679 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -40.780 3.304 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 6 -42.372 5.029 6.415 1.00 0.00 H new ATOM 98 N ARG A 7 -36.614 3.084 9.902 1.00 0.00 N ATOM 99 CA ARG A 7 -37.042 1.779 10.374 1.00 0.00 C ATOM 100 C ARG A 7 -37.723 1.905 11.739 1.00 0.00 C ATOM 101 O ARG A 7 -38.411 0.985 12.181 1.00 0.00 O ATOM 102 CB ARG A 7 -35.856 0.820 10.492 1.00 0.00 C ATOM 103 CG ARG A 7 -35.719 -0.040 9.234 1.00 0.00 C ATOM 104 CD ARG A 7 -34.249 -0.256 8.874 1.00 0.00 C ATOM 105 NE ARG A 7 -33.606 -1.135 9.877 1.00 0.00 N ATOM 106 CZ ARG A 7 -32.283 -1.332 9.967 1.00 0.00 C ATOM 107 NH1 ARG A 7 -31.455 -0.713 9.113 1.00 0.00 N ATOM 108 NH2 ARG A 7 -31.789 -2.146 10.908 1.00 0.00 N ATOM 0 H ARG A 7 -35.613 3.166 9.725 1.00 0.00 H new ATOM 0 HA ARG A 7 -37.748 1.379 9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -34.939 1.388 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.988 0.178 11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -36.203 -1.003 9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.234 0.441 8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.171 -0.703 7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -33.731 0.702 8.833 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.208 -1.621 10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -31.832 -0.093 8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -30.448 -0.862 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -32.419 -2.617 11.557 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -30.782 -2.295 10.976 1.00 0.00 H new ATOM 122 N ASN A 8 -37.509 3.051 12.368 1.00 0.00 N ATOM 123 CA ASN A 8 -38.094 3.310 13.672 1.00 0.00 C ATOM 124 C ASN A 8 -39.618 3.195 13.576 1.00 0.00 C ATOM 125 O ASN A 8 -40.298 3.050 14.590 1.00 0.00 O ATOM 126 CB ASN A 8 -37.757 4.721 14.158 1.00 0.00 C ATOM 127 CG ASN A 8 -38.393 5.778 13.254 1.00 0.00 C ATOM 128 OD1 ASN A 8 -39.696 5.947 13.453 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -37.742 6.400 12.430 1.00 0.00 N flip ATOM 0 H ASN A 8 -36.938 3.811 11.998 1.00 0.00 H new ATOM 0 HA ASN A 8 -37.688 2.581 14.373 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.111 4.851 15.181 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -36.675 4.855 14.175 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -36.743 6.221 12.328 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -38.197 7.099 11.843 1.00 0.00 H new ATOM 136 N GLN A 9 -40.107 3.265 12.346 1.00 0.00 N ATOM 137 CA GLN A 9 -41.536 3.170 12.104 1.00 0.00 C ATOM 138 C GLN A 9 -42.083 1.855 12.661 1.00 0.00 C ATOM 139 O GLN A 9 -43.233 1.790 13.096 1.00 0.00 O ATOM 140 CB GLN A 9 -41.850 3.307 10.612 1.00 0.00 C ATOM 141 CG GLN A 9 -43.273 2.835 10.306 1.00 0.00 C ATOM 142 CD GLN A 9 -43.787 3.455 9.005 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.055 3.653 8.049 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.084 3.749 9.022 1.00 0.00 N ATOM 0 H GLN A 9 -39.539 3.386 11.507 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.028 3.993 12.622 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -41.734 4.347 10.306 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.136 2.723 10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -43.291 1.748 10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -43.935 3.106 11.129 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -45.640 3.557 9.856 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -45.523 4.166 8.201 1.00 0.00 H new ATOM 153 N ARG A 10 -41.235 0.838 12.632 1.00 0.00 N ATOM 154 CA ARG A 10 -41.619 -0.473 13.128 1.00 0.00 C ATOM 155 C ARG A 10 -42.331 -0.342 14.476 1.00 0.00 C ATOM 156 O ARG A 10 -43.122 -1.205 14.852 1.00 0.00 O ATOM 157 CB ARG A 10 -40.398 -1.379 13.291 1.00 0.00 C ATOM 158 CG ARG A 10 -39.438 -0.822 14.344 1.00 0.00 C ATOM 159 CD ARG A 10 -39.534 -1.616 15.649 1.00 0.00 C ATOM 160 NE ARG A 10 -38.318 -1.400 16.464 1.00 0.00 N ATOM 161 CZ ARG A 10 -37.172 -2.074 16.296 1.00 0.00 C ATOM 162 NH1 ARG A 10 -37.079 -3.011 15.343 1.00 0.00 N ATOM 163 NH2 ARG A 10 -36.119 -1.812 17.082 1.00 0.00 N ATOM 0 H ARG A 10 -40.282 0.895 12.272 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.294 -0.919 12.398 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.719 -2.380 13.580 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -39.881 -1.474 12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -38.416 -0.859 13.966 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -39.669 0.226 14.534 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -40.417 -1.306 16.209 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -39.652 -2.677 15.431 1.00 0.00 H new ATOM 0 HE ARG A 10 -38.354 -0.694 17.199 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -37.881 -3.212 14.745 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -36.207 -3.524 15.215 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -36.190 -1.099 17.808 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -35.247 -2.325 16.954 1.00 0.00 H new ATOM 177 N LYS A 11 -42.026 0.746 15.168 1.00 0.00 N ATOM 178 CA LYS A 11 -42.626 1.003 16.466 1.00 0.00 C ATOM 179 C LYS A 11 -43.566 2.205 16.360 1.00 0.00 C ATOM 180 O LYS A 11 -44.477 2.359 17.172 1.00 0.00 O ATOM 181 CB LYS A 11 -41.544 1.159 17.537 1.00 0.00 C ATOM 182 CG LYS A 11 -42.165 1.406 18.913 1.00 0.00 C ATOM 183 CD LYS A 11 -42.117 2.891 19.278 1.00 0.00 C ATOM 184 CE LYS A 11 -41.656 3.084 20.724 1.00 0.00 C ATOM 185 NZ LYS A 11 -42.574 3.995 21.443 1.00 0.00 N ATOM 0 H LYS A 11 -41.370 1.461 14.853 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.231 0.152 16.781 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.927 0.261 17.569 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -40.887 1.989 17.277 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -43.199 1.060 18.917 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -41.632 0.825 19.666 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -41.439 3.414 18.603 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -43.104 3.334 19.145 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -41.619 2.120 21.232 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -40.645 3.491 20.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -42.247 4.115 22.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -42.589 4.920 20.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -43.532 3.591 21.445 1.00 0.00 H new ATOM 199 N THR A 12 -43.312 3.027 15.352 1.00 0.00 N ATOM 200 CA THR A 12 -44.123 4.212 15.129 1.00 0.00 C ATOM 201 C THR A 12 -43.383 5.204 14.231 1.00 0.00 C ATOM 202 O THR A 12 -42.173 5.381 14.360 1.00 0.00 O ATOM 203 CB THR A 12 -44.498 4.791 16.495 1.00 0.00 C ATOM 204 OG1 THR A 12 -45.792 4.255 16.756 1.00 0.00 O ATOM 205 CG2 THR A 12 -44.724 6.304 16.447 1.00 0.00 C ATOM 0 H THR A 12 -42.556 2.896 14.680 1.00 0.00 H new ATOM 0 HA THR A 12 -45.044 3.968 14.599 1.00 0.00 H new ATOM 0 HB THR A 12 -43.711 4.564 17.214 1.00 0.00 H new ATOM 0 HG1 THR A 12 -45.703 3.381 17.191 1.00 0.00 H new ATOM 0 HG21 THR A 12 -44.987 6.664 17.441 1.00 0.00 H new ATOM 0 HG22 THR A 12 -43.812 6.798 16.112 1.00 0.00 H new ATOM 0 HG23 THR A 12 -45.534 6.529 15.753 1.00 0.00 H new ATOM 213 N VAL A 13 -44.140 5.826 13.340 1.00 0.00 N ATOM 214 CA VAL A 13 -43.571 6.796 12.419 1.00 0.00 C ATOM 215 C VAL A 13 -44.273 8.143 12.608 1.00 0.00 C ATOM 216 O VAL A 13 -45.254 8.239 13.344 1.00 0.00 O ATOM 217 CB VAL A 13 -43.660 6.271 10.985 1.00 0.00 C ATOM 218 CG1 VAL A 13 -44.928 6.776 10.294 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.412 6.648 10.186 1.00 0.00 C ATOM 0 H VAL A 13 -45.144 5.677 13.236 1.00 0.00 H new ATOM 0 HA VAL A 13 -42.512 6.948 12.629 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.714 5.183 11.028 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -44.967 6.388 9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -45.804 6.435 10.846 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -44.918 7.866 10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.500 6.263 9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.314 7.733 10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.531 6.217 10.662 1.00 0.00 H new ATOM 229 N LYS A 14 -43.743 9.149 11.929 1.00 0.00 N ATOM 230 CA LYS A 14 -44.305 10.487 12.011 1.00 0.00 C ATOM 231 C LYS A 14 -44.773 10.925 10.623 1.00 0.00 C ATOM 232 O LYS A 14 -43.990 10.934 9.674 1.00 0.00 O ATOM 233 CB LYS A 14 -43.307 11.449 12.657 1.00 0.00 C ATOM 234 CG LYS A 14 -44.003 12.728 13.128 1.00 0.00 C ATOM 235 CD LYS A 14 -42.996 13.866 13.308 1.00 0.00 C ATOM 236 CE LYS A 14 -43.007 14.803 12.099 1.00 0.00 C ATOM 237 NZ LYS A 14 -41.890 14.482 11.183 1.00 0.00 N ATOM 0 H LYS A 14 -42.930 9.065 11.319 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.182 10.493 12.659 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -42.823 10.962 13.503 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.523 11.700 11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.762 13.021 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -44.517 12.540 14.070 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.235 14.428 14.211 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -41.996 13.454 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -43.956 14.713 11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -42.925 15.837 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -42.069 14.912 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -41.002 14.858 11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -41.813 13.450 11.078 1.00 0.00 H new ATOM 251 N CYS A 15 -46.048 11.278 10.547 1.00 0.00 N ATOM 252 CA CYS A 15 -46.630 11.718 9.289 1.00 0.00 C ATOM 253 C CYS A 15 -46.291 13.196 9.094 1.00 0.00 C ATOM 254 O CYS A 15 -46.795 14.053 9.820 1.00 0.00 O ATOM 255 CB CYS A 15 -48.138 11.467 9.247 1.00 0.00 C ATOM 256 SG CYS A 15 -48.782 11.813 7.569 1.00 0.00 S ATOM 0 H CYS A 15 -46.695 11.268 11.336 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.209 11.139 8.467 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.351 10.434 9.522 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.641 12.101 9.977 1.00 0.00 H new ATOM 0 HG CYS A 15 -49.698 10.942 7.268 1.00 0.00 H new ATOM 261 N PHE A 16 -45.441 13.452 8.111 1.00 0.00 N ATOM 262 CA PHE A 16 -45.029 14.812 7.811 1.00 0.00 C ATOM 263 C PHE A 16 -46.172 15.602 7.171 1.00 0.00 C ATOM 264 O PHE A 16 -45.968 16.714 6.687 1.00 0.00 O ATOM 265 CB PHE A 16 -43.869 14.720 6.817 1.00 0.00 C ATOM 266 CG PHE A 16 -42.707 15.664 7.129 1.00 0.00 C ATOM 267 CD1 PHE A 16 -41.734 15.281 7.999 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.645 16.887 6.536 1.00 0.00 C ATOM 269 CE1 PHE A 16 -40.654 16.156 8.288 1.00 0.00 C ATOM 270 CE2 PHE A 16 -41.566 17.762 6.825 1.00 0.00 C ATOM 271 CZ PHE A 16 -40.592 17.378 7.695 1.00 0.00 C ATOM 0 H PHE A 16 -45.026 12.739 7.511 1.00 0.00 H new ATOM 0 HA PHE A 16 -44.738 15.323 8.729 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.497 13.695 6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -44.243 14.938 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -41.783 14.310 8.470 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.417 17.192 5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -39.882 15.851 8.979 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -41.517 18.733 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 16 -39.770 18.044 7.914 1.00 0.00 H new ATOM 281 N ASN A 17 -47.351 14.997 7.190 1.00 0.00 N ATOM 282 CA ASN A 17 -48.526 15.630 6.617 1.00 0.00 C ATOM 283 C ASN A 17 -49.576 15.831 7.712 1.00 0.00 C ATOM 284 O ASN A 17 -49.692 16.920 8.273 1.00 0.00 O ATOM 285 CB ASN A 17 -49.146 14.756 5.525 1.00 0.00 C ATOM 286 CG ASN A 17 -50.573 15.203 5.208 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.888 16.381 5.164 1.00 0.00 O ATOM 288 ND2 ASN A 17 -51.420 14.200 4.990 1.00 0.00 N ATOM 0 H ASN A 17 -47.517 14.075 7.593 1.00 0.00 H new ATOM 0 HA ASN A 17 -48.219 16.583 6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -48.536 14.808 4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -49.151 13.715 5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -52.397 14.396 4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -51.092 13.235 5.042 1.00 0.00 H new ATOM 295 N CYS A 18 -50.313 14.764 7.984 1.00 0.00 N ATOM 296 CA CYS A 18 -51.349 14.810 9.003 1.00 0.00 C ATOM 297 C CYS A 18 -50.684 15.080 10.353 1.00 0.00 C ATOM 298 O CYS A 18 -51.320 15.595 11.271 1.00 0.00 O ATOM 299 CB CYS A 18 -52.181 13.526 9.022 1.00 0.00 C ATOM 300 SG CYS A 18 -51.166 12.133 9.636 1.00 0.00 S ATOM 0 H CYS A 18 -50.214 13.863 7.517 1.00 0.00 H new ATOM 0 HA CYS A 18 -52.049 15.615 8.778 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.055 13.659 9.659 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.548 13.306 8.020 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.334 11.761 8.709 1.00 0.00 H new ATOM 305 N GLY A 19 -49.410 14.720 10.432 1.00 0.00 N ATOM 306 CA GLY A 19 -48.652 14.915 11.656 1.00 0.00 C ATOM 307 C GLY A 19 -48.775 13.700 12.578 1.00 0.00 C ATOM 308 O GLY A 19 -47.858 13.400 13.340 1.00 0.00 O ATOM 0 H GLY A 19 -48.885 14.295 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.603 15.088 11.415 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.011 15.805 12.172 1.00 0.00 H new ATOM 312 N LYS A 20 -49.915 13.034 12.478 1.00 0.00 N ATOM 313 CA LYS A 20 -50.170 11.860 13.293 1.00 0.00 C ATOM 314 C LYS A 20 -48.971 10.912 13.204 1.00 0.00 C ATOM 315 O LYS A 20 -48.013 11.185 12.484 1.00 0.00 O ATOM 316 CB LYS A 20 -51.498 11.209 12.897 1.00 0.00 C ATOM 317 CG LYS A 20 -52.405 11.029 14.115 1.00 0.00 C ATOM 318 CD LYS A 20 -53.382 12.200 14.249 1.00 0.00 C ATOM 319 CE LYS A 20 -53.662 12.514 15.719 1.00 0.00 C ATOM 320 NZ LYS A 20 -54.715 11.620 16.249 1.00 0.00 N ATOM 0 H LYS A 20 -50.673 13.286 11.844 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.279 12.141 14.340 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.001 11.825 12.152 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.309 10.241 12.434 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.961 10.096 14.024 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -51.798 10.952 15.017 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -52.969 13.081 13.757 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.316 11.959 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -52.749 12.396 16.302 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -53.974 13.553 15.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -54.893 11.847 17.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -55.590 11.753 15.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -54.403 10.631 16.169 1.00 0.00 H new ATOM 334 N GLU A 21 -49.064 9.819 13.947 1.00 0.00 N ATOM 335 CA GLU A 21 -47.999 8.832 13.962 1.00 0.00 C ATOM 336 C GLU A 21 -48.539 7.464 13.540 1.00 0.00 C ATOM 337 O GLU A 21 -49.746 7.229 13.580 1.00 0.00 O ATOM 338 CB GLU A 21 -47.337 8.759 15.340 1.00 0.00 C ATOM 339 CG GLU A 21 -48.317 8.238 16.392 1.00 0.00 C ATOM 340 CD GLU A 21 -48.203 9.037 17.691 1.00 0.00 C ATOM 341 OE1 GLU A 21 -47.053 9.213 18.150 1.00 0.00 O ATOM 342 OE2 GLU A 21 -49.267 9.456 18.197 1.00 0.00 O ATOM 0 H GLU A 21 -49.861 9.596 14.543 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.236 9.138 13.246 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -46.466 8.106 15.295 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -46.980 9.748 15.629 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.335 8.303 16.009 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.118 7.185 16.590 1.00 0.00 H new ATOM 349 N GLY A 22 -47.619 6.597 13.144 1.00 0.00 N ATOM 350 CA GLY A 22 -47.987 5.258 12.715 1.00 0.00 C ATOM 351 C GLY A 22 -47.713 5.066 11.222 1.00 0.00 C ATOM 352 O GLY A 22 -47.377 3.966 10.785 1.00 0.00 O ATOM 0 H GLY A 22 -46.619 6.796 13.111 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -47.425 4.521 13.289 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.043 5.084 12.920 1.00 0.00 H new ATOM 356 N HIS A 23 -47.867 6.153 10.481 1.00 0.00 N ATOM 357 CA HIS A 23 -47.640 6.118 9.046 1.00 0.00 C ATOM 358 C HIS A 23 -47.038 7.448 8.589 1.00 0.00 C ATOM 359 O HIS A 23 -46.910 8.381 9.380 1.00 0.00 O ATOM 360 CB HIS A 23 -48.929 5.764 8.301 1.00 0.00 C ATOM 361 CG HIS A 23 -49.929 6.895 8.233 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.014 6.988 9.087 1.00 0.00 N ATOM 363 CD2 HIS A 23 -49.996 7.975 7.405 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.697 8.080 8.777 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.065 8.691 7.735 1.00 0.00 N ATOM 0 H HIS A 23 -48.146 7.063 10.847 1.00 0.00 H new ATOM 0 HA HIS A 23 -46.923 5.333 8.807 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.677 5.454 7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.396 4.909 8.789 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.298 8.209 6.615 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.597 8.426 9.264 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.364 9.555 7.283 1.00 0.00 H new ATOM 373 N ILE A 24 -46.683 7.493 7.313 1.00 0.00 N ATOM 374 CA ILE A 24 -46.096 8.693 6.741 1.00 0.00 C ATOM 375 C ILE A 24 -47.019 9.236 5.649 1.00 0.00 C ATOM 376 O ILE A 24 -47.794 8.487 5.057 1.00 0.00 O ATOM 377 CB ILE A 24 -44.670 8.415 6.259 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.615 7.138 5.418 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.693 8.369 7.436 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.178 6.820 4.999 1.00 0.00 C ATOM 0 H ILE A 24 -46.791 6.718 6.659 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.006 9.471 7.499 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.360 9.238 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.024 6.304 5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.239 7.255 4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.687 8.170 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.705 9.326 7.957 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -43.990 7.578 8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.166 5.908 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.780 7.645 4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.562 6.680 5.888 1.00 0.00 H new ATOM 392 N ALA A 25 -46.907 10.535 5.417 1.00 0.00 N ATOM 393 CA ALA A 25 -47.722 11.188 4.405 1.00 0.00 C ATOM 394 C ALA A 25 -47.584 10.435 3.081 1.00 0.00 C ATOM 395 O ALA A 25 -48.548 10.317 2.327 1.00 0.00 O ATOM 396 CB ALA A 25 -47.311 12.657 4.288 1.00 0.00 C ATOM 0 H ALA A 25 -46.265 11.154 5.912 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.775 11.166 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.922 13.146 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -47.457 13.153 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -46.261 12.719 4.004 1.00 0.00 H new ATOM 402 N LYS A 26 -46.377 9.947 2.838 1.00 0.00 N ATOM 403 CA LYS A 26 -46.099 9.209 1.617 1.00 0.00 C ATOM 404 C LYS A 26 -47.267 8.265 1.321 1.00 0.00 C ATOM 405 O LYS A 26 -47.522 7.933 0.165 1.00 0.00 O ATOM 406 CB LYS A 26 -44.745 8.502 1.714 1.00 0.00 C ATOM 407 CG LYS A 26 -44.915 6.983 1.651 1.00 0.00 C ATOM 408 CD LYS A 26 -43.556 6.278 1.673 1.00 0.00 C ATOM 409 CE LYS A 26 -42.510 7.082 0.899 1.00 0.00 C ATOM 410 NZ LYS A 26 -42.994 7.384 -0.466 1.00 0.00 N ATOM 0 H LYS A 26 -45.580 10.048 3.466 1.00 0.00 H new ATOM 0 HA LYS A 26 -46.016 9.890 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.098 8.833 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.252 8.778 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.518 6.646 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.455 6.711 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.228 6.145 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.651 5.283 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.292 8.010 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -41.578 6.520 0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -42.326 7.000 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -43.929 6.951 -0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -43.068 8.414 -0.588 1.00 0.00 H new ATOM 424 N ASN A 27 -47.943 7.860 2.386 1.00 0.00 N ATOM 425 CA ASN A 27 -49.076 6.960 2.254 1.00 0.00 C ATOM 426 C ASN A 27 -50.066 7.224 3.391 1.00 0.00 C ATOM 427 O ASN A 27 -50.403 6.316 4.149 1.00 0.00 O ATOM 428 CB ASN A 27 -48.633 5.498 2.344 1.00 0.00 C ATOM 429 CG ASN A 27 -47.356 5.363 3.175 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.393 6.013 4.334 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.401 4.710 2.790 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.728 8.138 3.343 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.536 7.138 1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.427 4.900 2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.463 5.103 1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.438 4.235 1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.565 4.639 3.370 1.00 0.00 H new ATOM 438 N CYS A 28 -50.504 8.472 3.474 1.00 0.00 N ATOM 439 CA CYS A 28 -51.448 8.868 4.505 1.00 0.00 C ATOM 440 C CYS A 28 -52.812 8.265 4.164 1.00 0.00 C ATOM 441 O CYS A 28 -53.163 8.137 2.992 1.00 0.00 O ATOM 442 CB CYS A 28 -51.517 10.388 4.656 1.00 0.00 C ATOM 443 SG CYS A 28 -52.609 10.830 6.056 1.00 0.00 S ATOM 0 H CYS A 28 -50.222 9.223 2.843 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.115 8.489 5.471 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.518 10.791 4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.892 10.836 3.736 1.00 0.00 H new ATOM 0 HG CYS A 28 -52.610 12.120 6.215 1.00 0.00 H new ATOM 448 N ARG A 29 -53.545 7.911 5.209 1.00 0.00 N ATOM 449 CA ARG A 29 -54.863 7.326 5.034 1.00 0.00 C ATOM 450 C ARG A 29 -55.939 8.413 5.084 1.00 0.00 C ATOM 451 O ARG A 29 -57.112 8.121 5.307 1.00 0.00 O ATOM 452 CB ARG A 29 -55.151 6.284 6.117 1.00 0.00 C ATOM 453 CG ARG A 29 -56.347 5.411 5.734 1.00 0.00 C ATOM 454 CD ARG A 29 -57.168 5.032 6.968 1.00 0.00 C ATOM 455 NE ARG A 29 -58.336 5.930 7.096 1.00 0.00 N ATOM 456 CZ ARG A 29 -59.452 5.622 7.769 1.00 0.00 C ATOM 457 NH1 ARG A 29 -59.558 4.434 8.382 1.00 0.00 N ATOM 458 NH2 ARG A 29 -60.463 6.500 7.831 1.00 0.00 N ATOM 0 H ARG A 29 -53.251 8.018 6.180 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.881 6.837 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.272 5.657 6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -55.350 6.785 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -56.978 5.944 5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.997 4.508 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.502 3.997 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -56.548 5.099 7.862 1.00 0.00 H new ATOM 0 HE ARG A 29 -58.289 6.842 6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -58.789 3.766 8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -60.408 4.199 8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -60.383 7.404 7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -61.313 6.264 8.344 1.00 0.00 H new ATOM 472 N ALA A 30 -55.499 9.645 4.874 1.00 0.00 N ATOM 473 CA ALA A 30 -56.408 10.778 4.892 1.00 0.00 C ATOM 474 C ALA A 30 -57.210 10.804 3.588 1.00 0.00 C ATOM 475 O ALA A 30 -56.648 11.009 2.514 1.00 0.00 O ATOM 476 CB ALA A 30 -55.615 12.067 5.114 1.00 0.00 C ATOM 0 H ALA A 30 -54.524 9.883 4.690 1.00 0.00 H new ATOM 0 HA ALA A 30 -57.118 10.687 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.298 12.917 5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -55.088 12.010 6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.894 12.194 4.307 1.00 0.00 H new ATOM 482 N PRO A 31 -58.545 10.588 3.731 1.00 0.00 N ATOM 483 CA PRO A 31 -59.429 10.584 2.578 1.00 0.00 C ATOM 484 C PRO A 31 -59.679 12.007 2.074 1.00 0.00 C ATOM 485 O PRO A 31 -60.825 12.409 1.880 1.00 0.00 O ATOM 486 CB PRO A 31 -60.696 9.893 3.056 1.00 0.00 C ATOM 487 CG PRO A 31 -60.655 9.951 4.574 1.00 0.00 C ATOM 488 CD PRO A 31 -59.246 10.341 4.988 1.00 0.00 C ATOM 0 HA PRO A 31 -59.003 10.059 1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.584 10.394 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.734 8.862 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -61.377 10.677 4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.924 8.985 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -59.251 11.229 5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.767 9.546 5.559 1.00 0.00 H new ATOM 496 N ARG A 32 -58.586 12.731 1.876 1.00 0.00 N ATOM 497 CA ARG A 32 -58.672 14.100 1.398 1.00 0.00 C ATOM 498 C ARG A 32 -58.807 14.123 -0.125 1.00 0.00 C ATOM 499 O ARG A 32 -58.763 13.078 -0.772 1.00 0.00 O ATOM 500 CB ARG A 32 -57.436 14.904 1.806 1.00 0.00 C ATOM 501 CG ARG A 32 -57.821 16.320 2.238 1.00 0.00 C ATOM 502 CD ARG A 32 -56.729 16.944 3.109 1.00 0.00 C ATOM 503 NE ARG A 32 -55.715 17.604 2.256 1.00 0.00 N ATOM 504 CZ ARG A 32 -54.666 16.972 1.712 1.00 0.00 C ATOM 505 NH1 ARG A 32 -54.486 15.663 1.929 1.00 0.00 N ATOM 506 NH2 ARG A 32 -53.797 17.652 0.951 1.00 0.00 N ATOM 0 H ARG A 32 -57.637 12.395 2.038 1.00 0.00 H new ATOM 0 HA ARG A 32 -59.553 14.555 1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -56.922 14.398 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -56.737 14.952 0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -57.987 16.940 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -58.760 16.293 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -57.169 17.670 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -56.257 16.175 3.721 1.00 0.00 H new ATOM 0 HE ARG A 32 -55.821 18.601 2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -55.148 15.146 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -53.687 15.182 1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -53.935 18.649 0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -52.998 17.172 0.536 1.00 0.00 H new ATOM 520 N LYS A 33 -58.970 15.327 -0.655 1.00 0.00 N ATOM 521 CA LYS A 33 -59.112 15.500 -2.090 1.00 0.00 C ATOM 522 C LYS A 33 -58.345 16.749 -2.528 1.00 0.00 C ATOM 523 O LYS A 33 -58.881 17.591 -3.247 1.00 0.00 O ATOM 524 CB LYS A 33 -60.590 15.517 -2.484 1.00 0.00 C ATOM 525 CG LYS A 33 -60.754 15.424 -4.003 1.00 0.00 C ATOM 526 CD LYS A 33 -62.210 15.143 -4.381 1.00 0.00 C ATOM 527 CE LYS A 33 -62.580 15.840 -5.692 1.00 0.00 C ATOM 528 NZ LYS A 33 -63.954 16.386 -5.618 1.00 0.00 N ATOM 0 H LYS A 33 -59.007 16.192 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 33 -58.674 14.654 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -61.107 14.684 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -61.057 16.432 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -60.428 16.356 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -60.114 14.633 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -62.363 14.068 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -62.869 15.486 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -61.873 16.644 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -62.507 15.134 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -64.190 16.856 -6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -64.626 15.612 -5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -64.012 17.075 -4.841 1.00 0.00 H new ATOM 542 N LYS A 34 -57.102 16.830 -2.075 1.00 0.00 N ATOM 543 CA LYS A 34 -56.256 17.962 -2.409 1.00 0.00 C ATOM 544 C LYS A 34 -56.765 19.208 -1.681 1.00 0.00 C ATOM 545 O LYS A 34 -57.877 19.668 -1.934 1.00 0.00 O ATOM 546 CB LYS A 34 -56.165 18.133 -3.927 1.00 0.00 C ATOM 547 CG LYS A 34 -54.859 17.546 -4.468 1.00 0.00 C ATOM 548 CD LYS A 34 -54.803 17.648 -5.994 1.00 0.00 C ATOM 549 CE LYS A 34 -54.789 16.258 -6.634 1.00 0.00 C ATOM 550 NZ LYS A 34 -55.598 16.251 -7.874 1.00 0.00 N ATOM 0 H LYS A 34 -56.661 16.129 -1.479 1.00 0.00 H new ATOM 0 HA LYS A 34 -55.236 17.787 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -57.013 17.642 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -56.225 19.191 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -54.011 18.075 -4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -54.773 16.502 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -55.663 18.211 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -53.912 18.200 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -53.764 15.965 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -55.183 15.523 -5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -55.578 15.301 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -56.580 16.510 -7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -55.205 16.938 -8.549 1.00 0.00 H new ATOM 564 N GLY A 35 -55.926 19.718 -0.791 1.00 0.00 N ATOM 565 CA GLY A 35 -56.277 20.901 -0.023 1.00 0.00 C ATOM 566 C GLY A 35 -55.041 21.507 0.646 1.00 0.00 C ATOM 567 O GLY A 35 -54.101 20.790 0.986 1.00 0.00 O ATOM 0 H GLY A 35 -55.004 19.334 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -56.740 21.640 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.015 20.641 0.736 1.00 0.00 H new ATOM 571 N CYS A 36 -55.084 22.820 0.815 1.00 0.00 N ATOM 572 CA CYS A 36 -53.980 23.530 1.439 1.00 0.00 C ATOM 573 C CYS A 36 -53.952 23.166 2.924 1.00 0.00 C ATOM 574 O CYS A 36 -54.772 23.653 3.701 1.00 0.00 O ATOM 575 CB CYS A 36 -54.086 25.041 1.222 1.00 0.00 C ATOM 576 SG CYS A 36 -52.624 25.879 1.937 1.00 0.00 S ATOM 0 H CYS A 36 -55.865 23.411 0.531 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.041 23.228 0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.156 25.260 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -54.996 25.421 1.686 1.00 0.00 H new ATOM 0 HG CYS A 36 -53.002 26.663 2.903 1.00 0.00 H new ATOM 581 N TRP A 37 -53.000 22.314 3.275 1.00 0.00 N ATOM 582 CA TRP A 37 -52.855 21.880 4.654 1.00 0.00 C ATOM 583 C TRP A 37 -51.924 22.865 5.364 1.00 0.00 C ATOM 584 O TRP A 37 -51.398 22.566 6.434 1.00 0.00 O ATOM 585 CB TRP A 37 -52.362 20.434 4.724 1.00 0.00 C ATOM 586 CG TRP A 37 -50.961 20.282 5.319 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.565 19.456 6.297 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.779 21.014 4.933 1.00 0.00 C ATOM 589 NE1 TRP A 37 -49.220 19.601 6.569 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.726 20.579 5.713 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.604 22.011 3.957 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.426 21.085 5.596 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.298 22.506 3.854 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.228 22.079 4.631 1.00 0.00 C ATOM 0 H TRP A 37 -52.321 21.913 2.628 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.819 21.884 5.163 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -53.064 19.850 5.320 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.367 20.010 3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -51.217 18.763 6.808 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.686 19.086 7.269 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.413 22.367 3.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.619 20.727 6.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.109 23.274 3.119 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.249 22.512 4.491 1.00 0.00 H new ATOM 605 N LYS A 38 -51.748 24.020 4.739 1.00 0.00 N ATOM 606 CA LYS A 38 -50.889 25.050 5.298 1.00 0.00 C ATOM 607 C LYS A 38 -51.754 26.172 5.874 1.00 0.00 C ATOM 608 O LYS A 38 -51.380 26.804 6.861 1.00 0.00 O ATOM 609 CB LYS A 38 -49.877 25.528 4.254 1.00 0.00 C ATOM 610 CG LYS A 38 -48.999 26.649 4.814 1.00 0.00 C ATOM 611 CD LYS A 38 -47.592 26.136 5.130 1.00 0.00 C ATOM 612 CE LYS A 38 -47.179 26.512 6.556 1.00 0.00 C ATOM 613 NZ LYS A 38 -45.804 27.057 6.570 1.00 0.00 N ATOM 0 H LYS A 38 -52.186 24.265 3.851 1.00 0.00 H new ATOM 0 HA LYS A 38 -50.298 24.648 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.251 24.693 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.403 25.882 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.940 27.464 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -49.454 27.055 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.561 25.053 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -46.880 26.555 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.873 27.249 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.236 25.635 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -45.540 27.307 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -45.143 26.342 6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -45.761 27.906 5.971 1.00 0.00 H new ATOM 627 N CYS A 39 -52.895 26.384 5.234 1.00 0.00 N ATOM 628 CA CYS A 39 -53.816 27.420 5.671 1.00 0.00 C ATOM 629 C CYS A 39 -55.059 26.742 6.252 1.00 0.00 C ATOM 630 O CYS A 39 -55.552 27.141 7.306 1.00 0.00 O ATOM 631 CB CYS A 39 -54.169 28.380 4.533 1.00 0.00 C ATOM 632 SG CYS A 39 -55.057 27.482 3.209 1.00 0.00 S ATOM 0 H CYS A 39 -53.202 25.856 4.417 1.00 0.00 H new ATOM 0 HA CYS A 39 -53.343 28.031 6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.789 29.193 4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.261 28.831 4.132 1.00 0.00 H new ATOM 0 HG CYS A 39 -54.236 27.223 2.235 1.00 0.00 H new ATOM 637 N GLY A 40 -55.529 25.729 5.539 1.00 0.00 N ATOM 638 CA GLY A 40 -56.706 24.993 5.970 1.00 0.00 C ATOM 639 C GLY A 40 -57.860 25.175 4.983 1.00 0.00 C ATOM 640 O GLY A 40 -59.026 25.136 5.371 1.00 0.00 O ATOM 0 H GLY A 40 -55.116 25.400 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.464 23.934 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -57.011 25.336 6.959 1.00 0.00 H new ATOM 644 N LYS A 41 -57.494 25.371 3.724 1.00 0.00 N ATOM 645 CA LYS A 41 -58.485 25.560 2.678 1.00 0.00 C ATOM 646 C LYS A 41 -58.272 24.512 1.584 1.00 0.00 C ATOM 647 O LYS A 41 -57.220 24.480 0.947 1.00 0.00 O ATOM 648 CB LYS A 41 -58.454 27.001 2.164 1.00 0.00 C ATOM 649 CG LYS A 41 -59.611 27.815 2.745 1.00 0.00 C ATOM 650 CD LYS A 41 -59.214 28.464 4.072 1.00 0.00 C ATOM 651 CE LYS A 41 -59.930 27.793 5.247 1.00 0.00 C ATOM 652 NZ LYS A 41 -60.989 28.677 5.782 1.00 0.00 N ATOM 0 H LYS A 41 -56.526 25.403 3.405 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.489 25.409 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.506 27.467 2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.513 27.004 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -59.911 28.586 2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -60.475 27.168 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -58.135 28.390 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -59.460 29.526 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -60.366 26.848 4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -59.212 27.560 6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -61.465 28.206 6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -60.565 29.568 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -61.683 28.879 5.034 1.00 0.00 H new ATOM 666 N GLU A 42 -59.287 23.681 1.400 1.00 0.00 N ATOM 667 CA GLU A 42 -59.223 22.634 0.393 1.00 0.00 C ATOM 668 C GLU A 42 -59.420 23.228 -1.003 1.00 0.00 C ATOM 669 O GLU A 42 -59.840 24.376 -1.140 1.00 0.00 O ATOM 670 CB GLU A 42 -60.255 21.541 0.674 1.00 0.00 C ATOM 671 CG GLU A 42 -61.680 22.080 0.526 1.00 0.00 C ATOM 672 CD GLU A 42 -62.712 20.973 0.759 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.739 20.453 1.895 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.449 20.674 -0.205 1.00 0.00 O ATOM 0 H GLU A 42 -60.158 23.711 1.930 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.235 22.175 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.104 20.708 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.113 21.152 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -61.842 22.889 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -61.812 22.501 -0.471 1.00 0.00 H new ATOM 681 N GLY A 43 -59.106 22.419 -2.004 1.00 0.00 N ATOM 682 CA GLY A 43 -59.242 22.850 -3.385 1.00 0.00 C ATOM 683 C GLY A 43 -57.893 23.290 -3.959 1.00 0.00 C ATOM 684 O GLY A 43 -57.700 23.284 -5.173 1.00 0.00 O ATOM 0 H GLY A 43 -58.758 21.468 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -59.648 22.036 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -59.952 23.675 -3.444 1.00 0.00 H new ATOM 688 N HIS A 44 -56.996 23.659 -3.057 1.00 0.00 N ATOM 689 CA HIS A 44 -55.671 24.101 -3.458 1.00 0.00 C ATOM 690 C HIS A 44 -54.625 23.518 -2.505 1.00 0.00 C ATOM 691 O HIS A 44 -54.951 22.699 -1.646 1.00 0.00 O ATOM 692 CB HIS A 44 -55.610 25.628 -3.543 1.00 0.00 C ATOM 693 CG HIS A 44 -55.446 26.311 -2.206 1.00 0.00 C ATOM 694 ND1 HIS A 44 -54.368 26.935 -1.650 1.00 0.00 N flip ATOM 695 CD2 HIS A 44 -56.471 26.401 -1.280 1.00 0.00 C flip ATOM 696 CE1 HIS A 44 -54.716 27.384 -0.450 1.00 0.00 C flip ATOM 697 NE2 HIS A 44 -56.019 27.052 -0.219 1.00 0.00 N flip ATOM 0 H HIS A 44 -57.160 23.661 -2.050 1.00 0.00 H new ATOM 0 HA HIS A 44 -55.447 23.730 -4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -54.780 25.913 -4.189 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -56.522 25.992 -4.016 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -53.450 27.039 -2.083 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -57.469 26.007 -1.402 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -54.074 27.923 0.231 1.00 0.00 H new ATOM 705 N GLN A 45 -53.391 23.962 -2.688 1.00 0.00 N ATOM 706 CA GLN A 45 -52.295 23.495 -1.856 1.00 0.00 C ATOM 707 C GLN A 45 -51.441 24.675 -1.389 1.00 0.00 C ATOM 708 O GLN A 45 -51.575 25.785 -1.905 1.00 0.00 O ATOM 709 CB GLN A 45 -51.445 22.462 -2.598 1.00 0.00 C ATOM 710 CG GLN A 45 -50.499 23.143 -3.590 1.00 0.00 C ATOM 711 CD GLN A 45 -49.071 22.614 -3.435 1.00 0.00 C ATOM 712 OE1 GLN A 45 -48.505 22.588 -2.355 1.00 0.00 O ATOM 713 NE2 GLN A 45 -48.523 22.198 -4.573 1.00 0.00 N ATOM 0 H GLN A 45 -53.125 24.641 -3.401 1.00 0.00 H new ATOM 0 HA GLN A 45 -52.715 23.007 -0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -50.868 21.878 -1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.094 21.765 -3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -50.847 22.969 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -50.511 24.221 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -49.054 22.248 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -47.572 21.829 -4.576 1.00 0.00 H new ATOM 722 N MET A 46 -50.584 24.397 -0.418 1.00 0.00 N ATOM 723 CA MET A 46 -49.709 25.423 0.124 1.00 0.00 C ATOM 724 C MET A 46 -48.921 26.116 -0.990 1.00 0.00 C ATOM 725 O MET A 46 -48.780 27.338 -0.987 1.00 0.00 O ATOM 726 CB MET A 46 -48.736 24.789 1.119 1.00 0.00 C ATOM 727 CG MET A 46 -47.715 25.815 1.616 1.00 0.00 C ATOM 728 SD MET A 46 -46.148 25.562 0.800 1.00 0.00 S ATOM 729 CE MET A 46 -45.440 24.318 1.867 1.00 0.00 C ATOM 0 H MET A 46 -50.477 23.476 0.008 1.00 0.00 H new ATOM 0 HA MET A 46 -50.323 26.170 0.627 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.289 24.382 1.965 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.218 23.955 0.646 1.00 0.00 H new ATOM 0 HG2 MET A 46 -48.077 26.824 1.421 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.591 25.724 2.695 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.452 24.043 1.499 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.353 24.713 2.879 1.00 0.00 H new ATOM 0 HE3 MET A 46 -46.082 23.437 1.875 1.00 0.00 H new ATOM 739 N LYS A 47 -48.430 25.305 -1.916 1.00 0.00 N ATOM 740 CA LYS A 47 -47.660 25.826 -3.034 1.00 0.00 C ATOM 741 C LYS A 47 -48.470 26.913 -3.742 1.00 0.00 C ATOM 742 O LYS A 47 -47.902 27.792 -4.390 1.00 0.00 O ATOM 743 CB LYS A 47 -47.220 24.687 -3.956 1.00 0.00 C ATOM 744 CG LYS A 47 -45.990 25.089 -4.774 1.00 0.00 C ATOM 745 CD LYS A 47 -44.707 24.571 -4.123 1.00 0.00 C ATOM 746 CE LYS A 47 -44.093 25.626 -3.202 1.00 0.00 C ATOM 747 NZ LYS A 47 -42.845 26.165 -3.787 1.00 0.00 N ATOM 0 H LYS A 47 -48.550 24.292 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 47 -46.741 26.293 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -46.993 23.801 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.037 24.421 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.075 24.691 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -45.945 26.175 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -44.924 23.668 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -43.989 24.296 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -44.805 26.435 -3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -43.884 25.187 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -42.442 26.880 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -42.161 25.393 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -43.053 26.602 -4.707 1.00 0.00 H new ATOM 761 N ASP A 48 -49.783 26.819 -3.596 1.00 0.00 N ATOM 762 CA ASP A 48 -50.675 27.784 -4.214 1.00 0.00 C ATOM 763 C ASP A 48 -51.602 28.372 -3.148 1.00 0.00 C ATOM 764 O ASP A 48 -52.760 28.678 -3.427 1.00 0.00 O ATOM 765 CB ASP A 48 -51.546 27.123 -5.285 1.00 0.00 C ATOM 766 CG ASP A 48 -50.894 26.998 -6.662 1.00 0.00 C ATOM 767 OD1 ASP A 48 -49.679 27.280 -6.742 1.00 0.00 O ATOM 768 OD2 ASP A 48 -51.624 26.623 -7.605 1.00 0.00 O ATOM 0 H ASP A 48 -50.251 26.089 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 48 -50.064 28.560 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -51.826 26.127 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -52.468 27.696 -5.387 1.00 0.00 H new ATOM 773 N CYS A 49 -51.057 28.511 -1.948 1.00 0.00 N ATOM 774 CA CYS A 49 -51.822 29.056 -0.838 1.00 0.00 C ATOM 775 C CYS A 49 -52.313 30.450 -1.232 1.00 0.00 C ATOM 776 O CYS A 49 -51.690 31.123 -2.052 1.00 0.00 O ATOM 777 CB CYS A 49 -51.001 29.083 0.454 1.00 0.00 C ATOM 778 SG CYS A 49 -52.098 29.396 1.885 1.00 0.00 S ATOM 0 H CYS A 49 -50.096 28.256 -1.720 1.00 0.00 H new ATOM 0 HA CYS A 49 -52.679 28.415 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.481 28.134 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.238 29.859 0.394 1.00 0.00 H new ATOM 0 HG CYS A 49 -52.609 28.273 2.294 1.00 0.00 H new ATOM 783 N THR A 50 -53.425 30.842 -0.629 1.00 0.00 N ATOM 784 CA THR A 50 -54.008 32.144 -0.907 1.00 0.00 C ATOM 785 C THR A 50 -54.206 32.928 0.392 1.00 0.00 C ATOM 786 O THR A 50 -55.025 33.844 0.450 1.00 0.00 O ATOM 787 CB THR A 50 -55.307 31.925 -1.687 1.00 0.00 C ATOM 788 OG1 THR A 50 -56.101 31.120 -0.821 1.00 0.00 O ATOM 789 CG2 THR A 50 -55.103 31.051 -2.927 1.00 0.00 C ATOM 0 H THR A 50 -53.938 30.281 0.051 1.00 0.00 H new ATOM 0 HA THR A 50 -53.342 32.752 -1.520 1.00 0.00 H new ATOM 0 HB THR A 50 -55.719 32.889 -1.985 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.963 30.932 -1.248 1.00 0.00 H new ATOM 0 HG21 THR A 50 -56.054 30.926 -3.445 1.00 0.00 H new ATOM 0 HG22 THR A 50 -54.386 31.529 -3.595 1.00 0.00 H new ATOM 0 HG23 THR A 50 -54.723 30.075 -2.626 1.00 0.00 H new ATOM 797 N GLU A 51 -53.441 32.539 1.403 1.00 0.00 N ATOM 798 CA GLU A 51 -53.522 33.194 2.697 1.00 0.00 C ATOM 799 C GLU A 51 -52.140 33.690 3.128 1.00 0.00 C ATOM 800 O GLU A 51 -51.616 33.263 4.155 1.00 0.00 O ATOM 801 CB GLU A 51 -54.121 32.257 3.749 1.00 0.00 C ATOM 802 CG GLU A 51 -55.611 32.541 3.950 1.00 0.00 C ATOM 803 CD GLU A 51 -56.453 31.307 3.618 1.00 0.00 C ATOM 804 OE1 GLU A 51 -56.623 30.473 4.532 1.00 0.00 O ATOM 805 OE2 GLU A 51 -56.908 31.226 2.455 1.00 0.00 O ATOM 0 H GLU A 51 -52.763 31.779 1.351 1.00 0.00 H new ATOM 0 HA GLU A 51 -54.184 34.055 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -53.983 31.221 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -53.593 32.380 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -55.792 32.842 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -55.915 33.374 3.317 1.00 0.00 H new