USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=12 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 140:sc= -0.159 USER MOD Set 1.2: A 39 CYS SG : rot -74:sc= -3.76! USER MOD Set 1.3: A 44 HIS :FLIP no HE2:sc= -7.79! C(o=-14!,f=-13!) USER MOD Set 1.4: A 49 CYS SG : rot 84:sc= -1.73 USER MOD Set 2.1: A 15 CYS SG : rot 148:sc= -1.43! USER MOD Set 2.2: A 17 ASN : amide:sc= -0.0932 K(o=-4.1,f=-5.1) USER MOD Set 2.3: A 18 CYS SG : rot -60:sc= -0.953 USER MOD Set 2.4: A 23 HIS : no HD1:sc= -2.15! C(o=-4.1!,f=-13!) USER MOD Set 2.5: A 28 CYS SG : rot 140:sc= 0.482 USER MOD Set 3.1: A 2 GLN : amide:sc= -0.305 K(o=-1.4,f=-2.7!) USER MOD Set 3.2: A 5 ASN : amide:sc= -1.09 X(o=-1.4,f=-0.95) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.17) USER MOD Single : A 9 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.21) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.982! 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+ 160:sc= 0.4 (180deg=0.0815) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.54! C(o=-7.6!,f=-4.5!) 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+ -127:sc= 0.306 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -6.31! C(o=-6.3!,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= 0.0336 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -29.724 6.730 5.522 1.00 0.00 N ATOM 19 CA GLN A 2 -30.061 5.806 6.592 1.00 0.00 C ATOM 20 C GLN A 2 -31.531 5.395 6.494 1.00 0.00 C ATOM 21 O GLN A 2 -32.336 5.747 7.356 1.00 0.00 O ATOM 22 CB GLN A 2 -29.752 6.415 7.960 1.00 0.00 C ATOM 23 CG GLN A 2 -28.307 6.126 8.375 1.00 0.00 C ATOM 24 CD GLN A 2 -27.660 7.361 9.005 1.00 0.00 C ATOM 25 OE1 GLN A 2 -28.308 8.351 9.299 1.00 0.00 O ATOM 26 NE2 GLN A 2 -26.347 7.248 9.192 1.00 0.00 N ATOM 0 HA GLN A 2 -29.446 4.913 6.482 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -29.917 7.492 7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.436 6.010 8.705 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -28.287 5.299 9.085 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -27.730 5.813 7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -25.866 6.390 8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -25.822 8.019 9.604 1.00 0.00 H new ATOM 35 N LYS A 3 -31.838 4.657 5.437 1.00 0.00 N ATOM 36 CA LYS A 3 -33.197 4.195 5.216 1.00 0.00 C ATOM 37 C LYS A 3 -33.652 3.367 6.420 1.00 0.00 C ATOM 38 O LYS A 3 -34.844 3.295 6.714 1.00 0.00 O ATOM 39 CB LYS A 3 -33.300 3.450 3.884 1.00 0.00 C ATOM 40 CG LYS A 3 -34.757 3.338 3.429 1.00 0.00 C ATOM 41 CD LYS A 3 -34.843 2.868 1.976 1.00 0.00 C ATOM 42 CE LYS A 3 -35.836 1.713 1.831 1.00 0.00 C ATOM 43 NZ LYS A 3 -35.136 0.475 1.422 1.00 0.00 N ATOM 0 H LYS A 3 -31.168 4.368 4.724 1.00 0.00 H new ATOM 0 HA LYS A 3 -33.878 5.042 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.718 3.972 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -32.870 2.454 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -35.290 2.639 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -35.249 4.305 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -35.149 3.698 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -33.858 2.551 1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -36.353 1.550 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -36.595 1.969 1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -35.825 -0.299 1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -34.662 0.629 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -34.428 0.223 2.141 1.00 0.00 H new ATOM 57 N GLY A 4 -32.678 2.762 7.084 1.00 0.00 N ATOM 58 CA GLY A 4 -32.963 1.942 8.249 1.00 0.00 C ATOM 59 C GLY A 4 -33.659 2.760 9.338 1.00 0.00 C ATOM 60 O GLY A 4 -34.254 2.199 10.256 1.00 0.00 O ATOM 0 H GLY A 4 -31.690 2.823 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.595 1.102 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.035 1.524 8.640 1.00 0.00 H new ATOM 64 N ASN A 5 -33.561 4.075 9.200 1.00 0.00 N ATOM 65 CA ASN A 5 -34.174 4.975 10.161 1.00 0.00 C ATOM 66 C ASN A 5 -35.676 4.692 10.235 1.00 0.00 C ATOM 67 O ASN A 5 -36.278 4.790 11.302 1.00 0.00 O ATOM 68 CB ASN A 5 -33.989 6.436 9.742 1.00 0.00 C ATOM 69 CG ASN A 5 -32.714 7.023 10.350 1.00 0.00 C ATOM 70 OD1 ASN A 5 -32.403 6.827 11.513 1.00 0.00 O ATOM 71 ND2 ASN A 5 -31.996 7.753 9.501 1.00 0.00 N ATOM 0 H ASN A 5 -33.066 4.538 8.437 1.00 0.00 H new ATOM 0 HA ASN A 5 -33.696 4.812 11.127 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -33.942 6.503 8.655 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.851 7.022 10.061 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -31.127 8.189 9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -32.314 7.877 8.540 1.00 0.00 H new ATOM 78 N PHE A 6 -36.237 4.344 9.086 1.00 0.00 N ATOM 79 CA PHE A 6 -37.656 4.045 9.006 1.00 0.00 C ATOM 80 C PHE A 6 -38.025 2.887 9.935 1.00 0.00 C ATOM 81 O PHE A 6 -39.202 2.654 10.206 1.00 0.00 O ATOM 82 CB PHE A 6 -37.948 3.638 7.561 1.00 0.00 C ATOM 83 CG PHE A 6 -38.627 4.729 6.732 1.00 0.00 C ATOM 84 CD1 PHE A 6 -38.445 6.039 7.050 1.00 0.00 C ATOM 85 CD2 PHE A 6 -39.415 4.390 5.676 1.00 0.00 C ATOM 86 CE1 PHE A 6 -39.076 7.051 6.280 1.00 0.00 C ATOM 87 CE2 PHE A 6 -40.046 5.403 4.906 1.00 0.00 C ATOM 88 CZ PHE A 6 -39.862 6.712 5.225 1.00 0.00 C ATOM 0 H PHE A 6 -35.734 4.263 8.203 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.237 4.917 9.307 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -37.012 3.358 7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.582 2.752 7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -37.820 6.309 7.889 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.561 3.350 5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -38.931 8.091 6.533 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -40.672 5.134 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 6 -40.341 7.483 4.639 1.00 0.00 H new ATOM 98 N ARG A 7 -36.997 2.189 10.397 1.00 0.00 N ATOM 99 CA ARG A 7 -37.198 1.061 11.289 1.00 0.00 C ATOM 100 C ARG A 7 -37.980 1.497 12.529 1.00 0.00 C ATOM 101 O ARG A 7 -38.535 0.662 13.243 1.00 0.00 O ATOM 102 CB ARG A 7 -35.861 0.458 11.724 1.00 0.00 C ATOM 103 CG ARG A 7 -36.069 -0.877 12.441 1.00 0.00 C ATOM 104 CD ARG A 7 -35.093 -1.031 13.609 1.00 0.00 C ATOM 105 NE ARG A 7 -34.112 -2.099 13.311 1.00 0.00 N ATOM 106 CZ ARG A 7 -32.978 -1.909 12.624 1.00 0.00 C ATOM 107 NH1 ARG A 7 -32.675 -0.689 12.158 1.00 0.00 N ATOM 108 NH2 ARG A 7 -32.148 -2.937 12.402 1.00 0.00 N ATOM 0 H ARG A 7 -36.022 2.384 10.169 1.00 0.00 H new ATOM 0 HA ARG A 7 -37.765 0.306 10.745 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.223 0.311 10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.342 1.153 12.385 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -37.093 -0.941 12.808 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.931 -1.697 11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.575 -0.089 13.787 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.639 -1.272 14.521 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.313 -3.040 13.651 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -33.308 0.093 12.327 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -31.812 -0.543 11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -32.380 -3.865 12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -31.285 -2.792 11.879 1.00 0.00 H new ATOM 122 N ASN A 8 -38.002 2.804 12.747 1.00 0.00 N ATOM 123 CA ASN A 8 -38.708 3.361 13.888 1.00 0.00 C ATOM 124 C ASN A 8 -40.192 3.006 13.787 1.00 0.00 C ATOM 125 O ASN A 8 -40.931 3.132 14.762 1.00 0.00 O ATOM 126 CB ASN A 8 -38.587 4.886 13.919 1.00 0.00 C ATOM 127 CG ASN A 8 -38.831 5.426 15.330 1.00 0.00 C ATOM 128 OD1 ASN A 8 -37.913 5.686 16.090 1.00 0.00 O ATOM 129 ND2 ASN A 8 -40.116 5.580 15.635 1.00 0.00 N ATOM 0 H ASN A 8 -37.542 3.493 12.152 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.266 2.946 14.794 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -37.595 5.183 13.578 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -39.306 5.326 13.228 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -40.383 5.935 16.553 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -40.834 5.343 14.951 1.00 0.00 H new ATOM 136 N GLN A 9 -40.584 2.568 12.600 1.00 0.00 N ATOM 137 CA GLN A 9 -41.967 2.195 12.359 1.00 0.00 C ATOM 138 C GLN A 9 -42.411 1.130 13.364 1.00 0.00 C ATOM 139 O GLN A 9 -43.579 1.082 13.747 1.00 0.00 O ATOM 140 CB GLN A 9 -42.160 1.707 10.922 1.00 0.00 C ATOM 141 CG GLN A 9 -43.603 1.922 10.459 1.00 0.00 C ATOM 142 CD GLN A 9 -43.645 2.678 9.130 1.00 0.00 C ATOM 143 OE1 GLN A 9 -42.883 2.418 8.214 1.00 0.00 O ATOM 144 NE2 GLN A 9 -44.578 3.626 9.076 1.00 0.00 N ATOM 0 H GLN A 9 -39.967 2.463 11.794 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.591 3.078 12.495 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -41.478 2.239 10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.907 0.649 10.856 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.101 0.959 10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.153 2.480 11.217 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -45.184 3.792 9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -44.687 4.186 8.231 1.00 0.00 H new ATOM 153 N ARG A 10 -41.457 0.304 13.763 1.00 0.00 N ATOM 154 CA ARG A 10 -41.735 -0.757 14.716 1.00 0.00 C ATOM 155 C ARG A 10 -42.288 -0.170 16.017 1.00 0.00 C ATOM 156 O ARG A 10 -42.996 -0.850 16.757 1.00 0.00 O ATOM 157 CB ARG A 10 -40.473 -1.566 15.025 1.00 0.00 C ATOM 158 CG ARG A 10 -39.426 -0.700 15.728 1.00 0.00 C ATOM 159 CD ARG A 10 -38.046 -1.362 15.681 1.00 0.00 C ATOM 160 NE ARG A 10 -37.774 -2.054 16.961 1.00 0.00 N ATOM 161 CZ ARG A 10 -37.485 -1.426 18.109 1.00 0.00 C ATOM 162 NH1 ARG A 10 -37.429 -0.087 18.144 1.00 0.00 N ATOM 163 NH2 ARG A 10 -37.251 -2.136 19.221 1.00 0.00 N ATOM 0 H ARG A 10 -40.489 0.347 13.444 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.476 -1.419 14.268 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.728 -2.418 15.655 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.058 -1.966 14.100 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -39.380 0.280 15.252 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -39.720 -0.537 16.765 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.003 -2.074 14.857 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -37.279 -0.611 15.494 1.00 0.00 H new ATOM 0 HE ARG A 10 -37.809 -3.073 16.970 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -37.606 0.453 17.297 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -37.209 0.392 19.018 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -37.293 -3.155 19.194 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -37.031 -1.658 20.095 1.00 0.00 H new ATOM 177 N LYS A 11 -41.942 1.086 16.255 1.00 0.00 N ATOM 178 CA LYS A 11 -42.394 1.773 17.453 1.00 0.00 C ATOM 179 C LYS A 11 -43.219 2.998 17.054 1.00 0.00 C ATOM 180 O LYS A 11 -43.302 3.968 17.807 1.00 0.00 O ATOM 181 CB LYS A 11 -41.209 2.099 18.365 1.00 0.00 C ATOM 182 CG LYS A 11 -41.211 1.209 19.608 1.00 0.00 C ATOM 183 CD LYS A 11 -42.298 1.644 20.593 1.00 0.00 C ATOM 184 CE LYS A 11 -42.199 0.859 21.902 1.00 0.00 C ATOM 185 NZ LYS A 11 -41.246 1.513 22.827 1.00 0.00 N ATOM 0 H LYS A 11 -41.354 1.646 15.638 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.047 1.126 18.038 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.276 1.963 17.818 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.253 3.146 18.664 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -41.374 0.171 19.316 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -40.236 1.254 20.094 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -42.203 2.711 20.797 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -43.280 1.491 20.147 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -43.182 0.794 22.369 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -41.875 -0.161 21.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -41.190 0.968 23.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -40.305 1.553 22.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -41.572 2.478 23.036 1.00 0.00 H new ATOM 199 N THR A 12 -43.807 2.915 15.869 1.00 0.00 N ATOM 200 CA THR A 12 -44.622 4.006 15.361 1.00 0.00 C ATOM 201 C THR A 12 -43.741 5.064 14.695 1.00 0.00 C ATOM 202 O THR A 12 -42.793 5.561 15.303 1.00 0.00 O ATOM 203 CB THR A 12 -45.458 4.552 16.520 1.00 0.00 C ATOM 204 OG1 THR A 12 -45.786 3.397 17.287 1.00 0.00 O ATOM 205 CG2 THR A 12 -46.813 5.092 16.061 1.00 0.00 C ATOM 0 H THR A 12 -43.735 2.110 15.247 1.00 0.00 H new ATOM 0 HA THR A 12 -45.305 3.661 14.584 1.00 0.00 H new ATOM 0 HB THR A 12 -44.904 5.344 17.025 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.327 3.661 18.060 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.366 5.467 16.922 1.00 0.00 H new ATOM 0 HG22 THR A 12 -46.659 5.902 15.348 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.381 4.293 15.585 1.00 0.00 H new ATOM 213 N VAL A 13 -44.084 5.379 13.455 1.00 0.00 N ATOM 214 CA VAL A 13 -43.336 6.369 12.700 1.00 0.00 C ATOM 215 C VAL A 13 -43.931 7.755 12.955 1.00 0.00 C ATOM 216 O VAL A 13 -44.804 7.913 13.807 1.00 0.00 O ATOM 217 CB VAL A 13 -43.316 5.992 11.217 1.00 0.00 C ATOM 218 CG1 VAL A 13 -44.556 6.526 10.498 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.034 6.486 10.543 1.00 0.00 C ATOM 0 H VAL A 13 -44.871 4.966 12.954 1.00 0.00 H new ATOM 0 HA VAL A 13 -42.297 6.395 13.029 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.333 4.904 11.148 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -44.516 6.244 9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -45.451 6.103 10.954 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -44.585 7.612 10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.045 6.205 9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -41.973 7.571 10.629 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.170 6.034 11.030 1.00 0.00 H new ATOM 229 N LYS A 14 -43.435 8.725 12.201 1.00 0.00 N ATOM 230 CA LYS A 14 -43.908 10.093 12.335 1.00 0.00 C ATOM 231 C LYS A 14 -44.269 10.641 10.953 1.00 0.00 C ATOM 232 O LYS A 14 -43.390 10.876 10.125 1.00 0.00 O ATOM 233 CB LYS A 14 -42.880 10.944 13.084 1.00 0.00 C ATOM 234 CG LYS A 14 -43.476 12.294 13.488 1.00 0.00 C ATOM 235 CD LYS A 14 -43.083 12.659 14.922 1.00 0.00 C ATOM 236 CE LYS A 14 -43.723 13.983 15.345 1.00 0.00 C ATOM 237 NZ LYS A 14 -42.839 15.119 14.999 1.00 0.00 N ATOM 0 H LYS A 14 -42.711 8.591 11.495 1.00 0.00 H new ATOM 0 HA LYS A 14 -44.815 10.125 12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -42.540 10.412 13.973 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.005 11.103 12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -43.129 13.068 12.804 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -44.562 12.256 13.403 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.396 11.866 15.602 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -41.998 12.735 14.998 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -44.688 14.102 14.852 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -43.913 13.976 16.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -43.288 16.010 15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -41.928 15.012 15.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -42.679 15.134 13.971 1.00 0.00 H new ATOM 251 N CYS A 15 -45.564 10.830 10.747 1.00 0.00 N ATOM 252 CA CYS A 15 -46.053 11.346 9.479 1.00 0.00 C ATOM 253 C CYS A 15 -45.748 12.844 9.421 1.00 0.00 C ATOM 254 O CYS A 15 -46.311 13.626 10.185 1.00 0.00 O ATOM 255 CB CYS A 15 -47.544 11.059 9.289 1.00 0.00 C ATOM 256 SG CYS A 15 -48.051 11.489 7.584 1.00 0.00 S ATOM 0 H CYS A 15 -46.290 10.635 11.437 1.00 0.00 H new ATOM 0 HA CYS A 15 -45.545 10.841 8.657 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -47.748 10.006 9.483 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.128 11.635 10.007 1.00 0.00 H new ATOM 0 HG CYS A 15 -48.997 10.685 7.197 1.00 0.00 H new ATOM 261 N PHE A 16 -44.857 13.199 8.506 1.00 0.00 N ATOM 262 CA PHE A 16 -44.470 14.589 8.338 1.00 0.00 C ATOM 263 C PHE A 16 -45.500 15.346 7.498 1.00 0.00 C ATOM 264 O PHE A 16 -45.217 16.432 6.994 1.00 0.00 O ATOM 265 CB PHE A 16 -43.128 14.594 7.605 1.00 0.00 C ATOM 266 CG PHE A 16 -42.689 15.977 7.119 1.00 0.00 C ATOM 267 CD1 PHE A 16 -42.254 16.905 8.013 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.734 16.278 5.793 1.00 0.00 C ATOM 269 CE1 PHE A 16 -41.847 18.189 7.563 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.326 17.562 5.343 1.00 0.00 C ATOM 271 CZ PHE A 16 -41.892 18.490 6.237 1.00 0.00 C ATOM 0 H PHE A 16 -44.392 12.548 7.873 1.00 0.00 H new ATOM 0 HA PHE A 16 -44.404 15.077 9.310 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -42.362 14.193 8.269 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.191 13.922 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -42.218 16.665 9.065 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.080 15.541 5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -41.502 18.926 8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.361 17.801 4.290 1.00 0.00 H new ATOM 0 HZ PHE A 16 -41.583 19.466 5.894 1.00 0.00 H new ATOM 281 N ASN A 17 -46.674 14.744 7.374 1.00 0.00 N ATOM 282 CA ASN A 17 -47.747 15.349 6.603 1.00 0.00 C ATOM 283 C ASN A 17 -48.915 15.677 7.534 1.00 0.00 C ATOM 284 O ASN A 17 -49.232 16.845 7.751 1.00 0.00 O ATOM 285 CB ASN A 17 -48.257 14.392 5.525 1.00 0.00 C ATOM 286 CG ASN A 17 -49.659 14.788 5.058 1.00 0.00 C ATOM 287 OD1 ASN A 17 -49.950 15.942 4.791 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.510 13.769 4.977 1.00 0.00 N ATOM 0 H ASN A 17 -46.906 13.844 7.794 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.356 16.250 6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.573 14.396 4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.274 13.375 5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.471 13.930 4.676 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.201 12.827 5.215 1.00 0.00 H new ATOM 295 N CYS A 18 -49.524 14.625 8.062 1.00 0.00 N ATOM 296 CA CYS A 18 -50.650 14.787 8.966 1.00 0.00 C ATOM 297 C CYS A 18 -50.105 15.055 10.370 1.00 0.00 C ATOM 298 O CYS A 18 -50.832 15.531 11.241 1.00 0.00 O ATOM 299 CB CYS A 18 -51.578 13.570 8.937 1.00 0.00 C ATOM 300 SG CYS A 18 -50.651 12.065 9.409 1.00 0.00 S ATOM 0 H CYS A 18 -49.259 13.657 7.881 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.258 15.633 8.646 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -52.413 13.722 9.621 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.001 13.449 7.940 1.00 0.00 H new ATOM 0 HG CYS A 18 -49.678 11.873 8.568 1.00 0.00 H new ATOM 305 N GLY A 19 -48.830 14.740 10.545 1.00 0.00 N ATOM 306 CA GLY A 19 -48.179 14.941 11.829 1.00 0.00 C ATOM 307 C GLY A 19 -48.581 13.851 12.825 1.00 0.00 C ATOM 308 O GLY A 19 -48.447 14.029 14.034 1.00 0.00 O ATOM 0 H GLY A 19 -48.230 14.347 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.097 14.936 11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -48.447 15.919 12.227 1.00 0.00 H new ATOM 312 N LYS A 20 -49.067 12.746 12.279 1.00 0.00 N ATOM 313 CA LYS A 20 -49.489 11.627 13.105 1.00 0.00 C ATOM 314 C LYS A 20 -48.312 10.669 13.299 1.00 0.00 C ATOM 315 O LYS A 20 -47.184 10.981 12.919 1.00 0.00 O ATOM 316 CB LYS A 20 -50.732 10.961 12.509 1.00 0.00 C ATOM 317 CG LYS A 20 -51.570 10.290 13.599 1.00 0.00 C ATOM 318 CD LYS A 20 -53.060 10.567 13.393 1.00 0.00 C ATOM 319 CE LYS A 20 -53.674 11.216 14.634 1.00 0.00 C ATOM 320 NZ LYS A 20 -55.071 11.625 14.368 1.00 0.00 N ATOM 0 H LYS A 20 -49.178 12.601 11.275 1.00 0.00 H new ATOM 0 HA LYS A 20 -49.784 11.974 14.095 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -51.334 11.706 11.989 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -50.432 10.220 11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -51.392 9.215 13.590 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -51.260 10.656 14.578 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -53.196 11.221 12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -53.579 9.635 13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -53.647 10.516 15.469 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -53.084 12.085 14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -55.473 12.064 15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -55.089 12.309 13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -55.634 10.790 14.111 1.00 0.00 H new ATOM 334 N GLU A 21 -48.615 9.522 13.891 1.00 0.00 N ATOM 335 CA GLU A 21 -47.596 8.518 14.141 1.00 0.00 C ATOM 336 C GLU A 21 -48.098 7.136 13.718 1.00 0.00 C ATOM 337 O GLU A 21 -49.297 6.866 13.766 1.00 0.00 O ATOM 338 CB GLU A 21 -47.171 8.521 15.610 1.00 0.00 C ATOM 339 CG GLU A 21 -48.246 7.883 16.493 1.00 0.00 C ATOM 340 CD GLU A 21 -47.819 7.883 17.963 1.00 0.00 C ATOM 341 OE1 GLU A 21 -47.057 6.963 18.332 1.00 0.00 O ATOM 342 OE2 GLU A 21 -48.264 8.802 18.683 1.00 0.00 O ATOM 0 H GLU A 21 -49.552 9.267 14.204 1.00 0.00 H new ATOM 0 HA GLU A 21 -46.718 8.763 13.543 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -46.233 7.977 15.722 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -46.987 9.544 15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.183 8.429 16.383 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.432 6.860 16.165 1.00 0.00 H new ATOM 349 N GLY A 22 -47.156 6.296 13.314 1.00 0.00 N ATOM 350 CA GLY A 22 -47.489 4.949 12.884 1.00 0.00 C ATOM 351 C GLY A 22 -47.267 4.784 11.380 1.00 0.00 C ATOM 352 O GLY A 22 -46.929 3.697 10.913 1.00 0.00 O ATOM 0 H GLY A 22 -46.162 6.523 13.276 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -46.877 4.228 13.427 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -48.529 4.732 13.128 1.00 0.00 H new ATOM 356 N HIS A 23 -47.468 5.879 10.660 1.00 0.00 N ATOM 357 CA HIS A 23 -47.296 5.869 9.218 1.00 0.00 C ATOM 358 C HIS A 23 -46.627 7.171 8.773 1.00 0.00 C ATOM 359 O HIS A 23 -46.532 8.122 9.547 1.00 0.00 O ATOM 360 CB HIS A 23 -48.629 5.616 8.513 1.00 0.00 C ATOM 361 CG HIS A 23 -49.512 6.838 8.412 1.00 0.00 C ATOM 362 ND1 HIS A 23 -50.530 7.103 9.312 1.00 0.00 N ATOM 363 CD2 HIS A 23 -49.518 7.861 7.511 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.115 8.238 8.958 1.00 0.00 C ATOM 365 NE2 HIS A 23 -50.487 8.706 7.841 1.00 0.00 N ATOM 0 H HIS A 23 -47.748 6.779 11.050 1.00 0.00 H new ATOM 0 HA HIS A 23 -46.640 5.047 8.932 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.432 5.239 7.510 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.168 4.834 9.047 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -48.848 7.966 6.671 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -51.944 8.710 9.465 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -50.723 9.564 7.342 1.00 0.00 H new ATOM 373 N ILE A 24 -46.180 7.172 7.525 1.00 0.00 N ATOM 374 CA ILE A 24 -45.522 8.341 6.967 1.00 0.00 C ATOM 375 C ILE A 24 -46.364 8.894 5.815 1.00 0.00 C ATOM 376 O ILE A 24 -47.152 8.166 5.214 1.00 0.00 O ATOM 377 CB ILE A 24 -44.082 8.008 6.571 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.020 6.706 5.771 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.170 7.969 7.799 1.00 0.00 C ATOM 380 CD1 ILE A 24 -42.574 6.329 5.447 1.00 0.00 C ATOM 0 H ILE A 24 -46.261 6.382 6.885 1.00 0.00 H new ATOM 0 HA ILE A 24 -45.448 9.130 7.716 1.00 0.00 H new ATOM 0 HB ILE A 24 -43.715 8.803 5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -44.490 5.903 6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -44.587 6.816 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.153 7.730 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.181 8.942 8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -43.526 7.207 8.493 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -42.559 5.400 4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.114 7.123 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.016 6.196 6.374 1.00 0.00 H new ATOM 392 N ALA A 25 -46.169 10.176 5.544 1.00 0.00 N ATOM 393 CA ALA A 25 -46.901 10.834 4.475 1.00 0.00 C ATOM 394 C ALA A 25 -46.729 10.038 3.179 1.00 0.00 C ATOM 395 O ALA A 25 -47.662 9.931 2.385 1.00 0.00 O ATOM 396 CB ALA A 25 -46.417 12.279 4.340 1.00 0.00 C ATOM 0 H ALA A 25 -45.515 10.777 6.046 1.00 0.00 H new ATOM 0 HA ALA A 25 -47.966 10.866 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -46.966 12.773 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.588 12.809 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.352 12.286 4.108 1.00 0.00 H new ATOM 402 N LYS A 26 -45.529 9.502 3.007 1.00 0.00 N ATOM 403 CA LYS A 26 -45.224 8.719 1.821 1.00 0.00 C ATOM 404 C LYS A 26 -46.413 7.815 1.491 1.00 0.00 C ATOM 405 O LYS A 26 -46.634 7.473 0.330 1.00 0.00 O ATOM 406 CB LYS A 26 -43.908 7.961 2.005 1.00 0.00 C ATOM 407 CG LYS A 26 -44.144 6.449 2.020 1.00 0.00 C ATOM 408 CD LYS A 26 -42.822 5.690 2.152 1.00 0.00 C ATOM 409 CE LYS A 26 -41.674 6.471 1.509 1.00 0.00 C ATOM 410 NZ LYS A 26 -40.409 5.709 1.609 1.00 0.00 N ATOM 0 H LYS A 26 -44.758 9.594 3.668 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.073 9.372 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.221 8.217 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -43.434 8.268 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -44.802 6.188 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -44.651 6.147 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -42.603 5.515 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -42.911 4.712 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -41.903 6.671 0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -41.563 7.437 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -39.734 6.063 0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -40.007 5.827 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -40.596 4.701 1.435 1.00 0.00 H new ATOM 424 N ASN A 27 -47.149 7.455 2.533 1.00 0.00 N ATOM 425 CA ASN A 27 -48.310 6.598 2.368 1.00 0.00 C ATOM 426 C ASN A 27 -49.342 6.932 3.447 1.00 0.00 C ATOM 427 O ASN A 27 -49.755 6.059 4.208 1.00 0.00 O ATOM 428 CB ASN A 27 -47.932 5.123 2.517 1.00 0.00 C ATOM 429 CG ASN A 27 -46.705 4.960 3.416 1.00 0.00 C ATOM 430 OD1 ASN A 27 -46.772 5.649 4.552 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -45.760 4.255 3.101 1.00 0.00 N flip ATOM 0 H ASN A 27 -46.963 7.741 3.494 1.00 0.00 H new ATOM 0 HA ASN A 27 -48.715 6.768 1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -48.772 4.569 2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -47.728 4.695 1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -45.772 3.752 2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -44.958 4.168 3.725 1.00 0.00 H new ATOM 438 N CYS A 28 -49.731 8.199 3.477 1.00 0.00 N ATOM 439 CA CYS A 28 -50.708 8.659 4.450 1.00 0.00 C ATOM 440 C CYS A 28 -52.067 8.059 4.086 1.00 0.00 C ATOM 441 O CYS A 28 -52.315 7.731 2.927 1.00 0.00 O ATOM 442 CB CYS A 28 -50.758 10.186 4.521 1.00 0.00 C ATOM 443 SG CYS A 28 -51.898 10.713 5.852 1.00 0.00 S ATOM 0 H CYS A 28 -49.387 8.921 2.843 1.00 0.00 H new ATOM 0 HA CYS A 28 -50.420 8.324 5.446 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -49.760 10.583 4.707 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.089 10.592 3.565 1.00 0.00 H new ATOM 0 HG CYS A 28 -51.390 11.731 6.481 1.00 0.00 H new ATOM 448 N ARG A 29 -52.912 7.933 5.099 1.00 0.00 N ATOM 449 CA ARG A 29 -54.240 7.379 4.900 1.00 0.00 C ATOM 450 C ARG A 29 -55.287 8.494 4.900 1.00 0.00 C ATOM 451 O ARG A 29 -56.468 8.244 5.135 1.00 0.00 O ATOM 452 CB ARG A 29 -54.584 6.367 5.996 1.00 0.00 C ATOM 453 CG ARG A 29 -54.638 7.043 7.369 1.00 0.00 C ATOM 454 CD ARG A 29 -55.530 6.257 8.332 1.00 0.00 C ATOM 455 NE ARG A 29 -56.679 7.090 8.750 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.732 6.626 9.437 1.00 0.00 C ATOM 457 NH1 ARG A 29 -57.786 5.334 9.788 1.00 0.00 N ATOM 458 NH2 ARG A 29 -58.730 7.454 9.774 1.00 0.00 N ATOM 0 H ARG A 29 -52.703 8.205 6.059 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.246 6.871 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -55.545 5.902 5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -53.840 5.571 6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -53.632 7.120 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.018 8.059 7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -55.886 5.347 7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -54.955 5.951 9.206 1.00 0.00 H new ATOM 0 HE ARG A 29 -56.669 8.079 8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -57.026 4.704 9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -58.587 4.981 10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -58.688 8.438 9.508 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -59.531 7.101 10.297 1.00 0.00 H new ATOM 472 N ALA A 30 -54.816 9.703 4.630 1.00 0.00 N ATOM 473 CA ALA A 30 -55.696 10.859 4.596 1.00 0.00 C ATOM 474 C ALA A 30 -56.520 10.828 3.307 1.00 0.00 C ATOM 475 O ALA A 30 -55.969 10.913 2.211 1.00 0.00 O ATOM 476 CB ALA A 30 -54.866 12.137 4.727 1.00 0.00 C ATOM 0 H ALA A 30 -53.836 9.907 4.433 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.393 10.836 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.526 13.004 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.322 12.123 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.157 12.197 3.901 1.00 0.00 H new ATOM 482 N PRO A 31 -57.862 10.703 3.485 1.00 0.00 N ATOM 483 CA PRO A 31 -58.768 10.660 2.349 1.00 0.00 C ATOM 484 C PRO A 31 -58.943 12.050 1.736 1.00 0.00 C ATOM 485 O PRO A 31 -60.068 12.504 1.528 1.00 0.00 O ATOM 486 CB PRO A 31 -60.063 10.086 2.900 1.00 0.00 C ATOM 487 CG PRO A 31 -59.990 10.262 4.408 1.00 0.00 C ATOM 488 CD PRO A 31 -58.551 10.600 4.768 1.00 0.00 C ATOM 0 HA PRO A 31 -58.391 10.044 1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -60.927 10.607 2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.168 9.034 2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.662 11.057 4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.306 9.350 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.491 11.535 5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.107 9.826 5.395 1.00 0.00 H new ATOM 496 N ARG A 32 -57.815 12.688 1.461 1.00 0.00 N ATOM 497 CA ARG A 32 -57.830 14.017 0.875 1.00 0.00 C ATOM 498 C ARG A 32 -57.413 13.954 -0.595 1.00 0.00 C ATOM 499 O ARG A 32 -56.449 13.274 -0.942 1.00 0.00 O ATOM 500 CB ARG A 32 -56.887 14.961 1.625 1.00 0.00 C ATOM 501 CG ARG A 32 -57.660 15.835 2.615 1.00 0.00 C ATOM 502 CD ARG A 32 -56.712 16.736 3.408 1.00 0.00 C ATOM 503 NE ARG A 32 -57.321 18.071 3.599 1.00 0.00 N ATOM 504 CZ ARG A 32 -58.411 18.298 4.346 1.00 0.00 C ATOM 505 NH1 ARG A 32 -59.016 17.282 4.976 1.00 0.00 N ATOM 506 NH2 ARG A 32 -58.894 19.543 4.463 1.00 0.00 N ATOM 0 H ARG A 32 -56.884 12.309 1.633 1.00 0.00 H new ATOM 0 HA ARG A 32 -58.847 14.401 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -56.134 14.381 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -56.357 15.593 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -58.384 16.447 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -58.224 15.202 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -56.494 16.285 4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -55.763 16.833 2.880 1.00 0.00 H new ATOM 0 HE ARG A 32 -56.885 18.867 3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -58.647 16.335 4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -59.845 17.455 5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -58.432 20.316 3.984 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -59.723 19.717 5.031 1.00 0.00 H new ATOM 520 N LYS A 33 -58.160 14.673 -1.421 1.00 0.00 N ATOM 521 CA LYS A 33 -57.880 14.706 -2.847 1.00 0.00 C ATOM 522 C LYS A 33 -56.894 15.838 -3.141 1.00 0.00 C ATOM 523 O LYS A 33 -55.726 15.588 -3.432 1.00 0.00 O ATOM 524 CB LYS A 33 -59.181 14.800 -3.646 1.00 0.00 C ATOM 525 CG LYS A 33 -59.197 13.783 -4.789 1.00 0.00 C ATOM 526 CD LYS A 33 -60.582 13.703 -5.433 1.00 0.00 C ATOM 527 CE LYS A 33 -61.295 12.407 -5.044 1.00 0.00 C ATOM 528 NZ LYS A 33 -62.747 12.513 -5.310 1.00 0.00 N ATOM 0 H LYS A 33 -58.959 15.237 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 33 -57.405 13.778 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -60.031 14.624 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -59.293 15.807 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -58.459 14.063 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -58.911 12.802 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -61.181 14.559 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -60.486 13.758 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -60.877 11.572 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -61.127 12.196 -3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -63.215 11.624 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -63.145 13.297 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -62.902 12.692 -6.323 1.00 0.00 H new ATOM 542 N LYS A 34 -57.402 17.059 -3.056 1.00 0.00 N ATOM 543 CA LYS A 34 -56.580 18.231 -3.309 1.00 0.00 C ATOM 544 C LYS A 34 -57.111 19.407 -2.489 1.00 0.00 C ATOM 545 O LYS A 34 -58.224 19.878 -2.718 1.00 0.00 O ATOM 546 CB LYS A 34 -56.501 18.515 -4.811 1.00 0.00 C ATOM 547 CG LYS A 34 -55.219 17.936 -5.412 1.00 0.00 C ATOM 548 CD LYS A 34 -55.444 17.490 -6.859 1.00 0.00 C ATOM 549 CE LYS A 34 -55.063 18.601 -7.840 1.00 0.00 C ATOM 550 NZ LYS A 34 -55.629 18.326 -9.180 1.00 0.00 N ATOM 0 H LYS A 34 -58.372 17.262 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 34 -55.554 18.054 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -57.368 18.085 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -56.534 19.591 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -54.427 18.684 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -54.884 17.088 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -54.851 16.599 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -56.490 17.217 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -55.430 19.560 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -53.978 18.679 -7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -55.361 19.089 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -55.259 17.421 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -56.666 18.274 -9.115 1.00 0.00 H new ATOM 564 N GLY A 35 -56.288 19.850 -1.548 1.00 0.00 N ATOM 565 CA GLY A 35 -56.660 20.963 -0.692 1.00 0.00 C ATOM 566 C GLY A 35 -55.436 21.535 0.026 1.00 0.00 C ATOM 567 O GLY A 35 -54.452 20.830 0.241 1.00 0.00 O ATOM 0 H GLY A 35 -55.365 19.458 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.134 21.743 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.395 20.632 0.042 1.00 0.00 H new ATOM 571 N CYS A 36 -55.537 22.809 0.376 1.00 0.00 N ATOM 572 CA CYS A 36 -54.450 23.484 1.065 1.00 0.00 C ATOM 573 C CYS A 36 -54.404 22.975 2.507 1.00 0.00 C ATOM 574 O CYS A 36 -55.246 23.340 3.325 1.00 0.00 O ATOM 575 CB CYS A 36 -54.601 25.006 1.002 1.00 0.00 C ATOM 576 SG CYS A 36 -53.150 25.809 1.777 1.00 0.00 S ATOM 0 H CYS A 36 -56.355 23.391 0.195 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.506 23.256 0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.695 25.328 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.513 25.311 1.515 1.00 0.00 H new ATOM 0 HG CYS A 36 -52.806 26.850 1.079 1.00 0.00 H new ATOM 581 N TRP A 37 -53.414 22.137 2.773 1.00 0.00 N ATOM 582 CA TRP A 37 -53.247 21.573 4.101 1.00 0.00 C ATOM 583 C TRP A 37 -52.363 22.524 4.912 1.00 0.00 C ATOM 584 O TRP A 37 -51.835 22.147 5.957 1.00 0.00 O ATOM 585 CB TRP A 37 -52.684 20.151 4.027 1.00 0.00 C ATOM 586 CG TRP A 37 -51.274 20.010 4.603 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.866 19.213 5.601 1.00 0.00 C ATOM 588 CD2 TRP A 37 -50.094 20.720 4.172 1.00 0.00 C ATOM 589 NE1 TRP A 37 -49.515 19.358 5.844 1.00 0.00 N ATOM 590 CE2 TRP A 37 -49.031 20.304 4.947 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.931 21.684 3.161 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.729 20.796 4.792 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.624 22.166 3.019 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.543 21.756 3.791 1.00 0.00 C ATOM 0 H TRP A 37 -52.719 21.835 2.091 1.00 0.00 H new ATOM 0 HA TRP A 37 -54.210 21.479 4.603 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -53.353 19.478 4.563 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.674 19.829 2.986 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -51.513 18.542 6.146 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.972 18.863 6.551 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.749 22.025 2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.913 20.453 5.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.443 22.909 2.256 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.563 22.177 3.619 1.00 0.00 H new ATOM 605 N LYS A 38 -52.231 23.738 4.399 1.00 0.00 N ATOM 606 CA LYS A 38 -51.421 24.746 5.062 1.00 0.00 C ATOM 607 C LYS A 38 -52.337 25.758 5.752 1.00 0.00 C ATOM 608 O LYS A 38 -52.005 26.275 6.817 1.00 0.00 O ATOM 609 CB LYS A 38 -50.439 25.379 4.074 1.00 0.00 C ATOM 610 CG LYS A 38 -49.733 26.585 4.698 1.00 0.00 C ATOM 611 CD LYS A 38 -50.603 27.841 4.600 1.00 0.00 C ATOM 612 CE LYS A 38 -49.777 29.044 4.141 1.00 0.00 C ATOM 613 NZ LYS A 38 -48.829 29.456 5.199 1.00 0.00 N ATOM 0 H LYS A 38 -52.671 24.047 3.532 1.00 0.00 H new ATOM 0 HA LYS A 38 -50.807 24.290 5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.700 24.639 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.972 25.690 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -49.505 26.377 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.783 26.756 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -51.421 27.668 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -51.053 28.053 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -49.230 28.792 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -50.439 29.874 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -48.276 30.274 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -49.357 29.717 6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -48.186 28.668 5.415 1.00 0.00 H new ATOM 627 N CYS A 39 -53.472 26.009 5.117 1.00 0.00 N ATOM 628 CA CYS A 39 -54.439 26.950 5.657 1.00 0.00 C ATOM 629 C CYS A 39 -55.665 26.164 6.126 1.00 0.00 C ATOM 630 O CYS A 39 -56.190 26.415 7.210 1.00 0.00 O ATOM 631 CB CYS A 39 -54.809 28.028 4.636 1.00 0.00 C ATOM 632 SG CYS A 39 -55.606 27.262 3.177 1.00 0.00 S ATOM 0 H CYS A 39 -53.744 25.577 4.234 1.00 0.00 H new ATOM 0 HA CYS A 39 -54.002 27.478 6.504 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -55.484 28.754 5.090 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.916 28.572 4.329 1.00 0.00 H new ATOM 0 HG CYS A 39 -54.708 26.652 2.462 1.00 0.00 H new ATOM 637 N GLY A 40 -56.084 25.228 5.287 1.00 0.00 N ATOM 638 CA GLY A 40 -57.237 24.403 5.604 1.00 0.00 C ATOM 639 C GLY A 40 -58.384 24.666 4.625 1.00 0.00 C ATOM 640 O GLY A 40 -59.553 24.528 4.982 1.00 0.00 O ATOM 0 H GLY A 40 -55.646 25.023 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.957 23.350 5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -57.568 24.610 6.622 1.00 0.00 H new ATOM 644 N LYS A 41 -58.009 25.040 3.411 1.00 0.00 N ATOM 645 CA LYS A 41 -58.992 25.324 2.379 1.00 0.00 C ATOM 646 C LYS A 41 -58.757 24.393 1.188 1.00 0.00 C ATOM 647 O LYS A 41 -57.723 24.472 0.527 1.00 0.00 O ATOM 648 CB LYS A 41 -58.969 26.809 2.011 1.00 0.00 C ATOM 649 CG LYS A 41 -60.173 27.541 2.609 1.00 0.00 C ATOM 650 CD LYS A 41 -61.392 27.431 1.691 1.00 0.00 C ATOM 651 CE LYS A 41 -62.524 26.659 2.371 1.00 0.00 C ATOM 652 NZ LYS A 41 -63.681 26.525 1.458 1.00 0.00 N ATOM 0 H LYS A 41 -57.038 25.153 3.119 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.999 25.126 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -58.046 27.263 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.974 26.919 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.410 27.121 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.924 28.591 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -61.739 28.428 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -61.110 26.929 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -62.171 25.671 2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -62.829 27.176 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -64.540 26.868 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -63.513 27.087 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -63.804 25.526 1.198 1.00 0.00 H new ATOM 666 N GLU A 42 -59.737 23.532 0.949 1.00 0.00 N ATOM 667 CA GLU A 42 -59.649 22.586 -0.150 1.00 0.00 C ATOM 668 C GLU A 42 -59.842 23.306 -1.486 1.00 0.00 C ATOM 669 O GLU A 42 -60.387 24.408 -1.528 1.00 0.00 O ATOM 670 CB GLU A 42 -60.670 21.457 0.016 1.00 0.00 C ATOM 671 CG GLU A 42 -62.099 21.986 -0.122 1.00 0.00 C ATOM 672 CD GLU A 42 -62.668 22.386 1.241 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.689 21.505 2.128 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.071 23.563 1.365 1.00 0.00 O ATOM 0 H GLU A 42 -60.595 23.470 1.498 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.655 22.138 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.490 20.686 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.544 20.989 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.109 22.846 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.732 21.222 -0.575 1.00 0.00 H new ATOM 681 N GLY A 43 -59.382 22.655 -2.544 1.00 0.00 N ATOM 682 CA GLY A 43 -59.497 23.220 -3.878 1.00 0.00 C ATOM 683 C GLY A 43 -58.142 23.723 -4.379 1.00 0.00 C ATOM 684 O GLY A 43 -57.897 23.765 -5.584 1.00 0.00 O ATOM 0 H GLY A 43 -58.929 21.742 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -59.885 22.467 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.213 24.042 -3.868 1.00 0.00 H new ATOM 688 N HIS A 44 -57.296 24.093 -3.428 1.00 0.00 N ATOM 689 CA HIS A 44 -55.972 24.592 -3.758 1.00 0.00 C ATOM 690 C HIS A 44 -54.933 23.927 -2.852 1.00 0.00 C ATOM 691 O HIS A 44 -55.263 23.035 -2.072 1.00 0.00 O ATOM 692 CB HIS A 44 -55.932 26.119 -3.682 1.00 0.00 C ATOM 693 CG HIS A 44 -55.814 26.662 -2.278 1.00 0.00 C ATOM 694 ND1 HIS A 44 -54.753 27.214 -1.623 1.00 0.00 N flip ATOM 695 CD2 HIS A 44 -56.872 26.670 -1.387 1.00 0.00 C flip ATOM 696 CE1 HIS A 44 -55.142 27.543 -0.397 1.00 0.00 C flip ATOM 697 NE2 HIS A 44 -56.456 27.206 -0.248 1.00 0.00 N flip ATOM 0 H HIS A 44 -57.502 24.057 -2.430 1.00 0.00 H new ATOM 0 HA HIS A 44 -55.728 24.331 -4.788 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.089 26.480 -4.272 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -56.836 26.519 -4.140 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -53.819 27.351 -2.009 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -57.868 26.302 -1.585 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -54.521 28.002 0.358 1.00 0.00 H new ATOM 705 N GLN A 45 -53.698 24.386 -2.985 1.00 0.00 N ATOM 706 CA GLN A 45 -52.608 23.847 -2.189 1.00 0.00 C ATOM 707 C GLN A 45 -51.778 24.983 -1.588 1.00 0.00 C ATOM 708 O GLN A 45 -51.932 26.141 -1.974 1.00 0.00 O ATOM 709 CB GLN A 45 -51.733 22.909 -3.021 1.00 0.00 C ATOM 710 CG GLN A 45 -50.807 23.698 -3.947 1.00 0.00 C ATOM 711 CD GLN A 45 -49.364 23.200 -3.835 1.00 0.00 C ATOM 712 OE1 GLN A 45 -48.809 23.065 -2.757 1.00 0.00 O ATOM 713 NE2 GLN A 45 -48.791 22.937 -5.006 1.00 0.00 N ATOM 0 H GLN A 45 -53.427 25.126 -3.633 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.034 23.263 -1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.139 22.278 -2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.365 22.246 -3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -51.150 23.602 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -50.850 24.757 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -49.314 23.072 -5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -47.829 22.600 -5.039 1.00 0.00 H new ATOM 722 N MET A 46 -50.914 24.612 -0.655 1.00 0.00 N ATOM 723 CA MET A 46 -50.058 25.585 0.003 1.00 0.00 C ATOM 724 C MET A 46 -49.282 26.414 -1.022 1.00 0.00 C ATOM 725 O MET A 46 -49.172 27.631 -0.885 1.00 0.00 O ATOM 726 CB MET A 46 -49.074 24.860 0.923 1.00 0.00 C ATOM 727 CG MET A 46 -47.968 25.805 1.396 1.00 0.00 C ATOM 728 SD MET A 46 -47.170 25.136 2.846 1.00 0.00 S ATOM 729 CE MET A 46 -45.652 24.543 2.121 1.00 0.00 C ATOM 0 H MET A 46 -50.788 23.651 -0.339 1.00 0.00 H new ATOM 0 HA MET A 46 -50.686 26.258 0.586 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.606 24.457 1.785 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.633 24.014 0.396 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.236 25.947 0.601 1.00 0.00 H new ATOM 0 HG3 MET A 46 -48.388 26.785 1.622 1.00 0.00 H new ATOM 0 HE1 MET A 46 -45.031 24.092 2.895 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.880 23.798 1.358 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.116 25.376 1.666 1.00 0.00 H new ATOM 739 N LYS A 47 -48.766 25.722 -2.027 1.00 0.00 N ATOM 740 CA LYS A 47 -48.004 26.379 -3.075 1.00 0.00 C ATOM 741 C LYS A 47 -48.836 27.519 -3.665 1.00 0.00 C ATOM 742 O LYS A 47 -48.286 28.480 -4.203 1.00 0.00 O ATOM 743 CB LYS A 47 -47.532 25.360 -4.115 1.00 0.00 C ATOM 744 CG LYS A 47 -46.288 25.863 -4.851 1.00 0.00 C ATOM 745 CD LYS A 47 -45.141 24.858 -4.738 1.00 0.00 C ATOM 746 CE LYS A 47 -44.042 25.383 -3.811 1.00 0.00 C ATOM 747 NZ LYS A 47 -43.059 26.184 -4.575 1.00 0.00 N ATOM 0 H LYS A 47 -48.861 24.712 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.097 26.824 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -47.311 24.412 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.331 25.170 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.526 26.032 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -45.978 26.822 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -45.520 23.909 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -44.725 24.662 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -44.483 25.993 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -43.539 24.548 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -42.320 26.533 -3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -42.625 25.591 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -43.540 26.992 -5.020 1.00 0.00 H new ATOM 761 N ASP A 48 -50.147 27.376 -3.546 1.00 0.00 N ATOM 762 CA ASP A 48 -51.061 28.382 -4.061 1.00 0.00 C ATOM 763 C ASP A 48 -52.010 28.823 -2.944 1.00 0.00 C ATOM 764 O ASP A 48 -53.177 29.119 -3.199 1.00 0.00 O ATOM 765 CB ASP A 48 -51.905 27.824 -5.208 1.00 0.00 C ATOM 766 CG ASP A 48 -51.237 27.868 -6.583 1.00 0.00 C ATOM 767 OD1 ASP A 48 -50.785 28.971 -6.960 1.00 0.00 O ATOM 768 OD2 ASP A 48 -51.194 26.797 -7.227 1.00 0.00 O ATOM 0 H ASP A 48 -50.599 26.578 -3.100 1.00 0.00 H new ATOM 0 HA ASP A 48 -50.468 29.221 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -52.163 26.790 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -52.840 28.383 -5.257 1.00 0.00 H new ATOM 773 N CYS A 49 -51.475 28.850 -1.732 1.00 0.00 N ATOM 774 CA CYS A 49 -52.260 29.248 -0.577 1.00 0.00 C ATOM 775 C CYS A 49 -52.790 30.663 -0.821 1.00 0.00 C ATOM 776 O CYS A 49 -52.165 31.450 -1.531 1.00 0.00 O ATOM 777 CB CYS A 49 -51.449 29.158 0.717 1.00 0.00 C ATOM 778 SG CYS A 49 -52.558 29.322 2.164 1.00 0.00 S ATOM 0 H CYS A 49 -50.507 28.603 -1.525 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.099 28.563 -0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.921 28.205 0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.693 29.943 0.737 1.00 0.00 H new ATOM 0 HG CYS A 49 -53.080 28.165 2.444 1.00 0.00 H new ATOM 783 N THR A 50 -53.936 30.943 -0.218 1.00 0.00 N ATOM 784 CA THR A 50 -54.556 32.249 -0.361 1.00 0.00 C ATOM 785 C THR A 50 -54.032 33.209 0.708 1.00 0.00 C ATOM 786 O THR A 50 -54.030 34.423 0.511 1.00 0.00 O ATOM 787 CB THR A 50 -56.074 32.059 -0.314 1.00 0.00 C ATOM 788 OG1 THR A 50 -56.307 31.417 0.936 1.00 0.00 O ATOM 789 CG2 THR A 50 -56.570 31.048 -1.351 1.00 0.00 C ATOM 0 H THR A 50 -54.451 30.288 0.370 1.00 0.00 H new ATOM 0 HA THR A 50 -54.299 32.705 -1.317 1.00 0.00 H new ATOM 0 HB THR A 50 -56.564 33.019 -0.479 1.00 0.00 H new ATOM 0 HG1 THR A 50 -57.268 31.258 1.048 1.00 0.00 H new ATOM 0 HG21 THR A 50 -57.653 30.951 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.306 31.393 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.105 30.080 -1.167 1.00 0.00 H new ATOM 797 N GLU A 51 -53.600 32.628 1.819 1.00 0.00 N ATOM 798 CA GLU A 51 -53.073 33.417 2.919 1.00 0.00 C ATOM 799 C GLU A 51 -51.633 33.004 3.226 1.00 0.00 C ATOM 800 O GLU A 51 -51.337 32.535 4.324 1.00 0.00 O ATOM 801 CB GLU A 51 -53.957 33.283 4.161 1.00 0.00 C ATOM 802 CG GLU A 51 -54.896 34.484 4.297 1.00 0.00 C ATOM 803 CD GLU A 51 -54.671 35.208 5.626 1.00 0.00 C ATOM 804 OE1 GLU A 51 -54.342 34.506 6.606 1.00 0.00 O ATOM 805 OE2 GLU A 51 -54.833 36.447 5.631 1.00 0.00 O ATOM 0 H GLU A 51 -53.605 31.621 1.980 1.00 0.00 H new ATOM 0 HA GLU A 51 -53.074 34.466 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -54.541 32.365 4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -53.332 33.203 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -54.731 35.175 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -55.931 34.150 4.232 1.00 0.00 H new