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 -174:sc= -1.88 USER MOD Set 1.2: A 39 CYS SG : rot -71:sc= -3.78 USER MOD Set 1.3: A 44 HIS :FLIP no HE2:sc= -4.52! C(o=-13!,f=-11!) USER MOD Set 1.4: A 49 CYS SG : rot 180:sc= -1.16 USER MOD Set 2.1: A 15 CYS SG : rot 117:sc= -0.15 USER MOD Set 2.2: A 17 ASN :FLIP amide:sc= -0.345 F(o=-10,f=-9.1) USER MOD Set 2.3: A 18 CYS SG : rot -75:sc= -1.27 USER MOD Set 2.4: A 23 HIS : no HD1:sc= -3.48! C(o=-9.1!,f=-13!) USER MOD Set 2.5: A 28 CYS SG : rot 101:sc= -3.86! USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -3.12 K(o=-3.1,f=-7.8!) USER MOD Single : A 8 ASN : amide:sc= 0.0664 X(o=0.066,f=-0.097) USER MOD Single : A 9 GLN : amide:sc= -2.76 K(o=-2.8,f=-4.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 149:sc=-0.00511 (180deg=-0.093) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 1.55 (180deg=1.41) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.95! C(o=-6.4!,f=-4.9!) 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= -5.69! C(o=-5.7!,f=-9.1!) 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 -30.705 8.864 7.172 1.00 0.00 N ATOM 19 CA GLN A 2 -31.813 9.789 7.010 1.00 0.00 C ATOM 20 C GLN A 2 -33.089 9.029 6.643 1.00 0.00 C ATOM 21 O GLN A 2 -34.084 9.095 7.364 1.00 0.00 O ATOM 22 CB GLN A 2 -31.488 10.853 5.959 1.00 0.00 C ATOM 23 CG GLN A 2 -31.454 12.249 6.586 1.00 0.00 C ATOM 24 CD GLN A 2 -31.368 13.332 5.508 1.00 0.00 C ATOM 25 OE1 GLN A 2 -30.299 13.710 5.055 1.00 0.00 O ATOM 26 NE2 GLN A 2 -32.548 13.808 5.124 1.00 0.00 N ATOM 0 HA GLN A 2 -31.977 10.299 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -30.524 10.633 5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -32.234 10.825 5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -32.348 12.402 7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -30.599 12.330 7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -33.405 13.447 5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -32.597 14.534 4.409 1.00 0.00 H new ATOM 35 N LYS A 3 -33.020 8.325 5.523 1.00 0.00 N ATOM 36 CA LYS A 3 -34.158 7.553 5.053 1.00 0.00 C ATOM 37 C LYS A 3 -34.570 6.551 6.133 1.00 0.00 C ATOM 38 O LYS A 3 -35.756 6.276 6.309 1.00 0.00 O ATOM 39 CB LYS A 3 -33.845 6.907 3.702 1.00 0.00 C ATOM 40 CG LYS A 3 -34.925 5.893 3.316 1.00 0.00 C ATOM 41 CD LYS A 3 -34.647 5.295 1.935 1.00 0.00 C ATOM 42 CE LYS A 3 -33.425 4.376 1.972 1.00 0.00 C ATOM 43 NZ LYS A 3 -33.437 3.452 0.815 1.00 0.00 N ATOM 0 H LYS A 3 -32.194 8.273 4.927 1.00 0.00 H new ATOM 0 HA LYS A 3 -35.015 8.204 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -33.773 7.677 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -32.875 6.411 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -34.964 5.097 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -35.901 6.378 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -35.518 4.734 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -34.483 6.096 1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -32.513 4.973 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -33.419 3.805 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.601 2.835 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -34.298 2.870 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -33.420 4.001 -0.068 1.00 0.00 H new ATOM 57 N GLY A 4 -33.568 6.032 6.828 1.00 0.00 N ATOM 58 CA GLY A 4 -33.812 5.066 7.885 1.00 0.00 C ATOM 59 C GLY A 4 -34.704 5.661 8.977 1.00 0.00 C ATOM 60 O GLY A 4 -35.246 4.933 9.806 1.00 0.00 O ATOM 0 H GLY A 4 -32.586 6.263 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.286 4.177 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.864 4.748 8.318 1.00 0.00 H new ATOM 64 N ASN A 5 -34.828 6.980 8.941 1.00 0.00 N ATOM 65 CA ASN A 5 -35.645 7.681 9.916 1.00 0.00 C ATOM 66 C ASN A 5 -37.078 7.148 9.853 1.00 0.00 C ATOM 67 O ASN A 5 -37.759 7.066 10.873 1.00 0.00 O ATOM 68 CB ASN A 5 -35.687 9.182 9.623 1.00 0.00 C ATOM 69 CG ASN A 5 -36.563 9.480 8.405 1.00 0.00 C ATOM 70 OD1 ASN A 5 -36.469 8.843 7.369 1.00 0.00 O ATOM 71 ND2 ASN A 5 -37.420 10.481 8.587 1.00 0.00 N ATOM 0 H ASN A 5 -34.376 7.581 8.252 1.00 0.00 H new ATOM 0 HA ASN A 5 -35.208 7.517 10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -36.073 9.715 10.492 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.676 9.550 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -38.050 10.756 7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -37.447 10.973 9.480 1.00 0.00 H new ATOM 78 N PHE A 6 -37.493 6.801 8.643 1.00 0.00 N ATOM 79 CA PHE A 6 -38.832 6.277 8.433 1.00 0.00 C ATOM 80 C PHE A 6 -39.047 4.986 9.224 1.00 0.00 C ATOM 81 O PHE A 6 -40.179 4.528 9.379 1.00 0.00 O ATOM 82 CB PHE A 6 -38.966 5.975 6.940 1.00 0.00 C ATOM 83 CG PHE A 6 -40.358 5.497 6.523 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.423 5.709 7.342 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.531 4.861 5.334 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.716 5.265 6.956 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.823 4.418 4.947 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.888 4.629 5.766 1.00 0.00 C ATOM 0 H PHE A 6 -36.926 6.873 7.798 1.00 0.00 H new ATOM 0 HA PHE A 6 -39.572 7.004 8.769 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.717 6.873 6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.235 5.214 6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -41.286 6.215 8.286 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.685 4.693 4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.562 5.432 7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.960 3.913 4.002 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.871 4.291 5.471 1.00 0.00 H new ATOM 98 N ARG A 7 -37.942 4.433 9.705 1.00 0.00 N ATOM 99 CA ARG A 7 -37.995 3.203 10.476 1.00 0.00 C ATOM 100 C ARG A 7 -38.817 3.411 11.751 1.00 0.00 C ATOM 101 O ARG A 7 -39.187 2.446 12.418 1.00 0.00 O ATOM 102 CB ARG A 7 -36.591 2.730 10.855 1.00 0.00 C ATOM 103 CG ARG A 7 -35.816 2.269 9.618 1.00 0.00 C ATOM 104 CD ARG A 7 -34.313 2.215 9.902 1.00 0.00 C ATOM 105 NE ARG A 7 -33.572 1.929 8.653 1.00 0.00 N ATOM 106 CZ ARG A 7 -32.287 2.247 8.452 1.00 0.00 C ATOM 107 NH1 ARG A 7 -31.591 2.865 9.417 1.00 0.00 N ATOM 108 NH2 ARG A 7 -31.697 1.949 7.287 1.00 0.00 N ATOM 0 H ARG A 7 -37.005 4.815 9.575 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.467 2.442 9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -36.051 3.539 11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.660 1.911 11.572 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -36.167 1.284 9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.009 2.950 8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -33.980 3.164 10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -34.102 1.445 10.644 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.072 1.460 7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -32.040 3.093 10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -30.612 3.107 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -32.227 1.480 6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -30.718 2.191 7.134 1.00 0.00 H new ATOM 122 N ASN A 8 -39.078 4.674 12.049 1.00 0.00 N ATOM 123 CA ASN A 8 -39.848 5.021 13.231 1.00 0.00 C ATOM 124 C ASN A 8 -41.238 4.388 13.132 1.00 0.00 C ATOM 125 O ASN A 8 -41.961 4.309 14.124 1.00 0.00 O ATOM 126 CB ASN A 8 -40.025 6.535 13.350 1.00 0.00 C ATOM 127 CG ASN A 8 -40.249 6.950 14.805 1.00 0.00 C ATOM 128 OD1 ASN A 8 -39.338 7.350 15.511 1.00 0.00 O ATOM 129 ND2 ASN A 8 -41.509 6.831 15.215 1.00 0.00 N ATOM 0 H ASN A 8 -38.770 5.471 11.492 1.00 0.00 H new ATOM 0 HA ASN A 8 -39.309 4.653 14.104 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.143 7.040 12.956 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -40.872 6.854 12.743 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -41.760 7.081 16.171 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -42.224 6.489 14.573 1.00 0.00 H new ATOM 136 N GLN A 9 -41.571 3.954 11.925 1.00 0.00 N ATOM 137 CA GLN A 9 -42.861 3.331 11.683 1.00 0.00 C ATOM 138 C GLN A 9 -43.057 2.135 12.616 1.00 0.00 C ATOM 139 O GLN A 9 -44.176 1.850 13.038 1.00 0.00 O ATOM 140 CB GLN A 9 -43.001 2.913 10.218 1.00 0.00 C ATOM 141 CG GLN A 9 -44.426 2.445 9.915 1.00 0.00 C ATOM 142 CD GLN A 9 -44.962 3.107 8.645 1.00 0.00 C ATOM 143 OE1 GLN A 9 -44.328 3.117 7.603 1.00 0.00 O ATOM 144 NE2 GLN A 9 -46.164 3.660 8.788 1.00 0.00 N ATOM 0 H GLN A 9 -40.969 4.022 11.104 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.641 4.062 11.894 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.745 3.752 9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.296 2.112 9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.440 1.361 9.798 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -45.077 2.683 10.756 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.642 3.616 9.688 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.608 4.127 7.997 1.00 0.00 H new ATOM 153 N ARG A 10 -41.951 1.469 12.912 1.00 0.00 N ATOM 154 CA ARG A 10 -41.987 0.311 13.789 1.00 0.00 C ATOM 155 C ARG A 10 -42.629 0.678 15.127 1.00 0.00 C ATOM 156 O ARG A 10 -43.137 -0.191 15.836 1.00 0.00 O ATOM 157 CB ARG A 10 -40.580 -0.236 14.039 1.00 0.00 C ATOM 158 CG ARG A 10 -40.635 -1.651 14.617 1.00 0.00 C ATOM 159 CD ARG A 10 -40.292 -2.693 13.551 1.00 0.00 C ATOM 160 NE ARG A 10 -39.999 -3.994 14.191 1.00 0.00 N ATOM 161 CZ ARG A 10 -40.922 -4.766 14.780 1.00 0.00 C ATOM 162 NH1 ARG A 10 -42.202 -4.371 14.816 1.00 0.00 N ATOM 163 NH2 ARG A 10 -40.566 -5.932 15.336 1.00 0.00 N ATOM 0 H ARG A 10 -41.024 1.709 12.560 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.581 -0.459 13.296 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.018 -0.243 13.105 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.048 0.421 14.727 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -39.937 -1.735 15.450 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -41.631 -1.847 15.015 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -41.124 -2.800 12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -39.431 -2.362 12.971 1.00 0.00 H new ATOM 0 HE ARG A 10 -39.034 -4.324 14.183 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -42.474 -3.483 14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -42.905 -4.959 15.264 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -39.592 -6.232 15.311 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -41.269 -6.519 15.784 1.00 0.00 H new ATOM 177 N LYS A 11 -42.585 1.966 15.436 1.00 0.00 N ATOM 178 CA LYS A 11 -43.157 2.459 16.677 1.00 0.00 C ATOM 179 C LYS A 11 -44.071 3.648 16.376 1.00 0.00 C ATOM 180 O LYS A 11 -44.051 4.648 17.093 1.00 0.00 O ATOM 181 CB LYS A 11 -42.051 2.772 17.688 1.00 0.00 C ATOM 182 CG LYS A 11 -42.466 2.355 19.101 1.00 0.00 C ATOM 183 CD LYS A 11 -41.248 2.246 20.020 1.00 0.00 C ATOM 184 CE LYS A 11 -41.121 3.483 20.910 1.00 0.00 C ATOM 185 NZ LYS A 11 -39.762 4.060 20.807 1.00 0.00 N ATOM 0 H LYS A 11 -42.162 2.683 14.847 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.776 1.692 17.143 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -41.136 2.251 17.405 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.828 3.839 17.670 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -43.169 3.083 19.507 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -42.985 1.397 19.064 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -41.335 1.354 20.641 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -40.345 2.130 19.421 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -41.861 4.227 20.616 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -41.331 3.216 21.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -39.694 4.899 21.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -39.061 3.354 21.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -39.575 4.333 19.821 1.00 0.00 H new ATOM 199 N THR A 12 -44.850 3.501 15.315 1.00 0.00 N ATOM 200 CA THR A 12 -45.770 4.550 14.911 1.00 0.00 C ATOM 201 C THR A 12 -45.001 5.738 14.330 1.00 0.00 C ATOM 202 O THR A 12 -44.159 6.329 15.006 1.00 0.00 O ATOM 203 CB THR A 12 -46.631 4.917 16.121 1.00 0.00 C ATOM 204 OG1 THR A 12 -47.111 3.663 16.598 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.900 5.678 15.729 1.00 0.00 C ATOM 0 H THR A 12 -44.863 2.671 14.722 1.00 0.00 H new ATOM 0 HA THR A 12 -46.432 4.210 14.115 1.00 0.00 H new ATOM 0 HB THR A 12 -46.045 5.522 16.813 1.00 0.00 H new ATOM 0 HG1 THR A 12 -47.678 3.807 17.384 1.00 0.00 H new ATOM 0 HG21 THR A 12 -48.474 5.914 16.625 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.627 6.602 15.219 1.00 0.00 H new ATOM 0 HG23 THR A 12 -48.503 5.061 15.063 1.00 0.00 H new ATOM 213 N VAL A 13 -45.317 6.055 13.084 1.00 0.00 N ATOM 214 CA VAL A 13 -44.666 7.162 12.404 1.00 0.00 C ATOM 215 C VAL A 13 -45.520 8.423 12.560 1.00 0.00 C ATOM 216 O VAL A 13 -46.536 8.407 13.252 1.00 0.00 O ATOM 217 CB VAL A 13 -44.402 6.797 10.941 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.634 7.071 10.077 1.00 0.00 C ATOM 219 CG2 VAL A 13 -43.178 7.540 10.404 1.00 0.00 C ATOM 0 H VAL A 13 -46.016 5.564 12.526 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.695 7.368 12.854 1.00 0.00 H new ATOM 0 HB VAL A 13 -44.192 5.728 10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.420 6.803 9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.472 6.476 10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.889 8.129 10.132 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -43.012 7.263 9.363 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.346 8.615 10.471 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -42.302 7.272 10.995 1.00 0.00 H new ATOM 229 N LYS A 14 -45.074 9.485 11.905 1.00 0.00 N ATOM 230 CA LYS A 14 -45.783 10.752 11.962 1.00 0.00 C ATOM 231 C LYS A 14 -45.875 11.345 10.555 1.00 0.00 C ATOM 232 O LYS A 14 -44.855 11.650 9.939 1.00 0.00 O ATOM 233 CB LYS A 14 -45.129 11.687 12.982 1.00 0.00 C ATOM 234 CG LYS A 14 -45.969 12.949 13.185 1.00 0.00 C ATOM 235 CD LYS A 14 -45.081 14.151 13.514 1.00 0.00 C ATOM 236 CE LYS A 14 -44.473 14.746 12.243 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.011 14.517 12.211 1.00 0.00 N ATOM 0 H LYS A 14 -44.230 9.494 11.332 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.804 10.601 12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -45.010 11.168 13.933 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -44.130 11.961 12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -46.547 13.155 12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -46.684 12.789 13.992 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -45.667 14.910 14.031 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -44.286 13.845 14.193 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -44.937 14.295 11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -44.681 15.815 12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -42.696 14.423 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -42.524 15.321 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -42.785 13.645 12.731 1.00 0.00 H new ATOM 251 N CYS A 15 -47.106 11.489 10.088 1.00 0.00 N ATOM 252 CA CYS A 15 -47.344 12.040 8.764 1.00 0.00 C ATOM 253 C CYS A 15 -47.103 13.549 8.821 1.00 0.00 C ATOM 254 O CYS A 15 -47.858 14.278 9.463 1.00 0.00 O ATOM 255 CB CYS A 15 -48.748 11.704 8.256 1.00 0.00 C ATOM 256 SG CYS A 15 -48.899 12.158 6.489 1.00 0.00 S ATOM 0 H CYS A 15 -47.949 11.234 10.602 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.654 11.590 8.050 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.945 10.640 8.385 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -49.494 12.240 8.843 1.00 0.00 H new ATOM 0 HG CYS A 15 -49.117 11.088 5.783 1.00 0.00 H new ATOM 261 N PHE A 16 -46.047 13.973 8.142 1.00 0.00 N ATOM 262 CA PHE A 16 -45.697 15.384 8.107 1.00 0.00 C ATOM 263 C PHE A 16 -46.496 16.121 7.031 1.00 0.00 C ATOM 264 O PHE A 16 -46.292 17.313 6.809 1.00 0.00 O ATOM 265 CB PHE A 16 -44.208 15.466 7.767 1.00 0.00 C ATOM 266 CG PHE A 16 -43.920 15.633 6.273 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.597 14.883 5.362 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.986 16.530 5.857 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.329 15.038 3.976 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.718 16.684 4.471 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.395 15.934 3.560 1.00 0.00 C ATOM 0 H PHE A 16 -45.422 13.365 7.612 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.921 15.847 9.068 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.768 16.304 8.308 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.714 14.562 8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -45.338 14.170 5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -42.448 17.125 6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -44.867 14.444 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -41.977 17.396 4.140 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.190 16.050 2.506 1.00 0.00 H new ATOM 281 N ASN A 17 -47.389 15.380 6.391 1.00 0.00 N ATOM 282 CA ASN A 17 -48.219 15.949 5.343 1.00 0.00 C ATOM 283 C ASN A 17 -49.570 16.360 5.935 1.00 0.00 C ATOM 284 O ASN A 17 -49.973 17.516 5.826 1.00 0.00 O ATOM 285 CB ASN A 17 -48.481 14.929 4.232 1.00 0.00 C ATOM 286 CG ASN A 17 -49.740 15.289 3.442 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.577 14.272 3.264 1.00 0.00 O flip ATOM 288 ND2 ASN A 17 -49.939 16.418 3.022 1.00 0.00 N flip ATOM 0 H ASN A 17 -47.556 14.391 6.578 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.694 16.809 4.927 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.624 14.891 3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.591 13.935 4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -49.254 17.154 3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.790 16.625 2.499 1.00 0.00 H new ATOM 295 N CYS A 18 -50.231 15.389 6.547 1.00 0.00 N ATOM 296 CA CYS A 18 -51.527 15.635 7.157 1.00 0.00 C ATOM 297 C CYS A 18 -51.305 16.015 8.623 1.00 0.00 C ATOM 298 O CYS A 18 -52.035 16.838 9.172 1.00 0.00 O ATOM 299 CB CYS A 18 -52.458 14.429 7.014 1.00 0.00 C ATOM 300 SG CYS A 18 -51.824 13.029 8.007 1.00 0.00 S ATOM 0 H CYS A 18 -49.894 14.430 6.634 1.00 0.00 H new ATOM 0 HA CYS A 18 -52.024 16.457 6.642 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.463 14.694 7.343 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.532 14.138 5.966 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.805 12.494 7.402 1.00 0.00 H new ATOM 305 N GLY A 19 -50.294 15.395 9.214 1.00 0.00 N ATOM 306 CA GLY A 19 -49.967 15.657 10.605 1.00 0.00 C ATOM 307 C GLY A 19 -50.223 14.423 11.471 1.00 0.00 C ATOM 308 O GLY A 19 -49.471 14.147 12.405 1.00 0.00 O ATOM 0 H GLY A 19 -49.691 14.712 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.921 15.952 10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -50.564 16.493 10.971 1.00 0.00 H new ATOM 312 N LYS A 20 -51.287 13.711 11.130 1.00 0.00 N ATOM 313 CA LYS A 20 -51.653 12.512 11.864 1.00 0.00 C ATOM 314 C LYS A 20 -50.417 11.624 12.030 1.00 0.00 C ATOM 315 O LYS A 20 -49.350 11.935 11.502 1.00 0.00 O ATOM 316 CB LYS A 20 -52.830 11.806 11.188 1.00 0.00 C ATOM 317 CG LYS A 20 -54.015 11.675 12.147 1.00 0.00 C ATOM 318 CD LYS A 20 -54.041 10.291 12.799 1.00 0.00 C ATOM 319 CE LYS A 20 -55.337 9.551 12.461 1.00 0.00 C ATOM 320 NZ LYS A 20 -55.150 8.698 11.267 1.00 0.00 N ATOM 0 H LYS A 20 -51.908 13.942 10.354 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.999 12.770 12.865 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -53.134 12.365 10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.520 10.817 10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -53.951 12.443 12.918 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -54.946 11.844 11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -53.185 9.708 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -53.947 10.392 13.880 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.645 8.938 13.308 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -56.137 10.269 12.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -56.039 8.203 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -54.878 9.290 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -54.401 8.000 11.453 1.00 0.00 H new ATOM 334 N GLU A 21 -50.602 10.538 12.766 1.00 0.00 N ATOM 335 CA GLU A 21 -49.515 9.604 13.007 1.00 0.00 C ATOM 336 C GLU A 21 -49.934 8.188 12.605 1.00 0.00 C ATOM 337 O GLU A 21 -51.122 7.908 12.453 1.00 0.00 O ATOM 338 CB GLU A 21 -49.069 9.649 14.470 1.00 0.00 C ATOM 339 CG GLU A 21 -50.184 9.162 15.399 1.00 0.00 C ATOM 340 CD GLU A 21 -51.192 10.280 15.677 1.00 0.00 C ATOM 341 OE1 GLU A 21 -50.733 11.374 16.069 1.00 0.00 O ATOM 342 OE2 GLU A 21 -52.400 10.014 15.491 1.00 0.00 O ATOM 0 H GLU A 21 -51.488 10.284 13.203 1.00 0.00 H new ATOM 0 HA GLU A 21 -48.664 9.899 12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -48.183 9.028 14.603 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -48.787 10.668 14.737 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.694 8.312 14.947 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.754 8.813 16.338 1.00 0.00 H new ATOM 349 N GLY A 22 -48.935 7.333 12.445 1.00 0.00 N ATOM 350 CA GLY A 22 -49.183 5.954 12.063 1.00 0.00 C ATOM 351 C GLY A 22 -48.676 5.676 10.647 1.00 0.00 C ATOM 352 O GLY A 22 -48.274 4.556 10.336 1.00 0.00 O ATOM 0 H GLY A 22 -47.951 7.569 12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.690 5.284 12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -50.251 5.744 12.118 1.00 0.00 H new ATOM 356 N HIS A 23 -48.711 6.716 9.826 1.00 0.00 N ATOM 357 CA HIS A 23 -48.259 6.599 8.450 1.00 0.00 C ATOM 358 C HIS A 23 -47.526 7.877 8.040 1.00 0.00 C ATOM 359 O HIS A 23 -47.482 8.844 8.800 1.00 0.00 O ATOM 360 CB HIS A 23 -49.428 6.262 7.522 1.00 0.00 C ATOM 361 CG HIS A 23 -50.391 7.406 7.308 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.644 7.449 7.893 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.272 8.545 6.568 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.243 8.569 7.516 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.391 9.247 6.694 1.00 0.00 N ATOM 0 H HIS A 23 -49.045 7.643 10.088 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.552 5.774 8.364 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.033 5.947 6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.974 5.413 7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.412 8.828 5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.232 8.889 7.808 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.582 10.145 6.250 1.00 0.00 H new ATOM 373 N ILE A 24 -46.966 7.841 6.839 1.00 0.00 N ATOM 374 CA ILE A 24 -46.236 8.984 6.319 1.00 0.00 C ATOM 375 C ILE A 24 -46.942 9.507 5.067 1.00 0.00 C ATOM 376 O ILE A 24 -47.787 8.821 4.493 1.00 0.00 O ATOM 377 CB ILE A 24 -44.767 8.624 6.091 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.634 7.462 5.104 1.00 0.00 C ATOM 379 CG2 ILE A 24 -44.062 8.332 7.417 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.178 7.274 4.672 1.00 0.00 C ATOM 0 H ILE A 24 -47.004 7.038 6.212 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.232 9.796 7.046 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.270 9.485 5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.002 6.545 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.255 7.651 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -43.019 8.079 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -44.110 9.213 8.057 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.554 7.496 7.914 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.111 6.442 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.821 8.184 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.563 7.061 5.547 1.00 0.00 H new ATOM 392 N ALA A 25 -46.570 10.718 4.678 1.00 0.00 N ATOM 393 CA ALA A 25 -47.157 11.342 3.504 1.00 0.00 C ATOM 394 C ALA A 25 -47.001 10.406 2.303 1.00 0.00 C ATOM 395 O ALA A 25 -47.901 10.304 1.470 1.00 0.00 O ATOM 396 CB ALA A 25 -46.504 12.705 3.269 1.00 0.00 C ATOM 0 H ALA A 25 -45.869 11.284 5.156 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.223 11.513 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -46.945 13.173 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.668 13.342 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.433 12.573 3.113 1.00 0.00 H new ATOM 402 N LYS A 26 -45.853 9.747 2.254 1.00 0.00 N ATOM 403 CA LYS A 26 -45.568 8.823 1.169 1.00 0.00 C ATOM 404 C LYS A 26 -46.826 8.013 0.849 1.00 0.00 C ATOM 405 O LYS A 26 -47.013 7.570 -0.283 1.00 0.00 O ATOM 406 CB LYS A 26 -44.351 7.960 1.507 1.00 0.00 C ATOM 407 CG LYS A 26 -44.757 6.502 1.734 1.00 0.00 C ATOM 408 CD LYS A 26 -43.529 5.591 1.783 1.00 0.00 C ATOM 409 CE LYS A 26 -42.237 6.409 1.738 1.00 0.00 C ATOM 410 NZ LYS A 26 -41.077 5.565 2.098 1.00 0.00 N ATOM 0 H LYS A 26 -45.110 9.834 2.947 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.302 9.369 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.624 8.017 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -43.863 8.348 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.314 6.417 2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.423 6.178 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.553 4.992 2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.553 4.896 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.097 6.824 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.309 7.251 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -40.201 6.117 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -41.173 5.245 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -41.040 4.739 1.468 1.00 0.00 H new ATOM 424 N ASN A 27 -47.657 7.845 1.868 1.00 0.00 N ATOM 425 CA ASN A 27 -48.893 7.097 1.711 1.00 0.00 C ATOM 426 C ASN A 27 -49.937 7.632 2.692 1.00 0.00 C ATOM 427 O ASN A 27 -50.462 6.882 3.513 1.00 0.00 O ATOM 428 CB ASN A 27 -48.678 5.611 2.009 1.00 0.00 C ATOM 429 CG ASN A 27 -47.453 5.403 2.903 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.408 6.214 3.956 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.606 4.562 2.652 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.498 8.214 2.805 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.229 7.213 0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.563 5.203 2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.548 5.064 1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.702 3.972 1.826 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.801 4.449 3.268 1.00 0.00 H new ATOM 438 N CYS A 28 -50.205 8.924 2.575 1.00 0.00 N ATOM 439 CA CYS A 28 -51.177 9.568 3.443 1.00 0.00 C ATOM 440 C CYS A 28 -52.578 9.180 2.965 1.00 0.00 C ATOM 441 O CYS A 28 -53.035 9.648 1.922 1.00 0.00 O ATOM 442 CB CYS A 28 -50.986 11.085 3.478 1.00 0.00 C ATOM 443 SG CYS A 28 -52.227 11.847 4.586 1.00 0.00 S ATOM 0 H CYS A 28 -49.766 9.542 1.893 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.036 9.226 4.468 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -49.981 11.325 3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.083 11.495 2.473 1.00 0.00 H new ATOM 0 HG CYS A 28 -51.675 12.125 5.730 1.00 0.00 H new ATOM 448 N ARG A 29 -53.222 8.329 3.750 1.00 0.00 N ATOM 449 CA ARG A 29 -54.561 7.873 3.421 1.00 0.00 C ATOM 450 C ARG A 29 -55.602 8.874 3.928 1.00 0.00 C ATOM 451 O ARG A 29 -56.795 8.577 3.947 1.00 0.00 O ATOM 452 CB ARG A 29 -54.842 6.500 4.035 1.00 0.00 C ATOM 453 CG ARG A 29 -54.802 6.565 5.563 1.00 0.00 C ATOM 454 CD ARG A 29 -56.022 5.874 6.173 1.00 0.00 C ATOM 455 NE ARG A 29 -56.575 6.699 7.272 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.345 6.220 8.257 1.00 0.00 C ATOM 457 NH1 ARG A 29 -57.661 4.918 8.288 1.00 0.00 N ATOM 458 NH2 ARG A 29 -57.802 7.043 9.211 1.00 0.00 N ATOM 0 H ARG A 29 -52.841 7.943 4.614 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.627 7.793 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -55.819 6.144 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -54.105 5.780 3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -53.891 6.090 5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -54.770 7.606 5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.782 5.717 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -55.742 4.891 6.551 1.00 0.00 H new ATOM 0 HE ARG A 29 -56.355 7.695 7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -57.315 4.292 7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -58.248 4.553 9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -57.563 8.034 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -58.389 6.678 9.961 1.00 0.00 H new ATOM 472 N ALA A 30 -55.112 10.039 4.325 1.00 0.00 N ATOM 473 CA ALA A 30 -55.984 11.084 4.831 1.00 0.00 C ATOM 474 C ALA A 30 -57.270 11.114 4.001 1.00 0.00 C ATOM 475 O ALA A 30 -57.293 11.676 2.907 1.00 0.00 O ATOM 476 CB ALA A 30 -55.244 12.423 4.807 1.00 0.00 C ATOM 0 H ALA A 30 -54.122 10.282 4.306 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.263 10.884 5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.899 13.207 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.354 12.358 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.951 12.659 3.784 1.00 0.00 H new ATOM 482 N PRO A 31 -58.336 10.488 4.569 1.00 0.00 N ATOM 483 CA PRO A 31 -59.621 10.439 3.894 1.00 0.00 C ATOM 484 C PRO A 31 -60.332 11.791 3.970 1.00 0.00 C ATOM 485 O PRO A 31 -61.421 11.956 3.419 1.00 0.00 O ATOM 486 CB PRO A 31 -60.387 9.325 4.589 1.00 0.00 C ATOM 487 CG PRO A 31 -59.687 9.106 5.921 1.00 0.00 C ATOM 488 CD PRO A 31 -58.343 9.813 5.864 1.00 0.00 C ATOM 0 HA PRO A 31 -59.529 10.236 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.431 9.602 4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.381 8.414 3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.291 9.500 6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -59.550 8.041 6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.235 10.525 6.682 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -57.519 9.105 5.946 1.00 0.00 H new ATOM 496 N ARG A 32 -59.689 12.724 4.655 1.00 0.00 N ATOM 497 CA ARG A 32 -60.246 14.057 4.809 1.00 0.00 C ATOM 498 C ARG A 32 -59.426 14.862 5.819 1.00 0.00 C ATOM 499 O ARG A 32 -58.488 14.340 6.420 1.00 0.00 O ATOM 500 CB ARG A 32 -61.701 13.995 5.280 1.00 0.00 C ATOM 501 CG ARG A 32 -62.647 14.550 4.213 1.00 0.00 C ATOM 502 CD ARG A 32 -63.931 15.091 4.846 1.00 0.00 C ATOM 503 NE ARG A 32 -64.992 15.204 3.820 1.00 0.00 N ATOM 504 CZ ARG A 32 -65.703 14.167 3.359 1.00 0.00 C ATOM 505 NH1 ARG A 32 -65.473 12.933 3.828 1.00 0.00 N ATOM 506 NH2 ARG A 32 -66.648 14.364 2.427 1.00 0.00 N ATOM 0 H ARG A 32 -58.787 12.584 5.110 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.211 14.545 3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -61.969 12.963 5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -61.813 14.565 6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -62.148 15.344 3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -62.893 13.766 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -64.258 14.429 5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -63.742 16.066 5.295 1.00 0.00 H new ATOM 0 HE ARG A 32 -65.194 16.129 3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -64.756 12.782 4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -66.015 12.144 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -66.824 15.303 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -67.190 13.575 2.075 1.00 0.00 H new ATOM 520 N LYS A 33 -59.807 16.122 5.974 1.00 0.00 N ATOM 521 CA LYS A 33 -59.118 17.005 6.899 1.00 0.00 C ATOM 522 C LYS A 33 -57.960 17.693 6.174 1.00 0.00 C ATOM 523 O LYS A 33 -57.409 18.676 6.669 1.00 0.00 O ATOM 524 CB LYS A 33 -58.690 16.238 8.152 1.00 0.00 C ATOM 525 CG LYS A 33 -58.874 17.093 9.408 1.00 0.00 C ATOM 526 CD LYS A 33 -57.524 17.415 10.054 1.00 0.00 C ATOM 527 CE LYS A 33 -57.713 17.968 11.468 1.00 0.00 C ATOM 528 NZ LYS A 33 -57.240 19.369 11.543 1.00 0.00 N ATOM 0 H LYS A 33 -60.585 16.552 5.474 1.00 0.00 H new ATOM 0 HA LYS A 33 -59.788 17.791 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -59.277 15.324 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -57.646 15.939 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -59.388 18.019 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -59.507 16.566 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -56.910 16.515 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -56.988 18.142 9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -58.765 17.918 11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -57.164 17.354 12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -57.375 19.730 12.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -56.230 19.408 11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -57.782 19.955 10.876 1.00 0.00 H new ATOM 542 N LYS A 34 -57.625 17.151 5.013 1.00 0.00 N ATOM 543 CA LYS A 34 -56.541 17.701 4.215 1.00 0.00 C ATOM 544 C LYS A 34 -56.735 19.211 4.072 1.00 0.00 C ATOM 545 O LYS A 34 -57.727 19.663 3.501 1.00 0.00 O ATOM 546 CB LYS A 34 -56.435 16.965 2.877 1.00 0.00 C ATOM 547 CG LYS A 34 -55.371 15.867 2.939 1.00 0.00 C ATOM 548 CD LYS A 34 -55.588 14.832 1.833 1.00 0.00 C ATOM 549 CE LYS A 34 -54.293 14.580 1.057 1.00 0.00 C ATOM 550 NZ LYS A 34 -54.589 13.962 -0.256 1.00 0.00 N ATOM 0 H LYS A 34 -58.084 16.337 4.605 1.00 0.00 H new ATOM 0 HA LYS A 34 -55.584 17.548 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -57.400 16.527 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -56.186 17.673 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -54.380 16.310 2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -55.405 15.377 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -55.943 13.898 2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -56.363 15.181 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -53.760 15.520 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -53.637 13.927 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -53.700 13.797 -0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -55.078 13.056 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -55.197 14.598 -0.810 1.00 0.00 H new ATOM 564 N GLY A 35 -55.773 19.952 4.603 1.00 0.00 N ATOM 565 CA GLY A 35 -55.825 21.403 4.542 1.00 0.00 C ATOM 566 C GLY A 35 -54.419 21.999 4.462 1.00 0.00 C ATOM 567 O GLY A 35 -53.435 21.320 4.752 1.00 0.00 O ATOM 0 H GLY A 35 -54.953 19.574 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -56.405 21.713 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -56.338 21.789 5.423 1.00 0.00 H new ATOM 571 N CYS A 36 -54.368 23.262 4.068 1.00 0.00 N ATOM 572 CA CYS A 36 -53.098 23.959 3.945 1.00 0.00 C ATOM 573 C CYS A 36 -52.620 24.335 5.349 1.00 0.00 C ATOM 574 O CYS A 36 -53.267 25.123 6.039 1.00 0.00 O ATOM 575 CB CYS A 36 -53.209 25.182 3.033 1.00 0.00 C ATOM 576 SG CYS A 36 -51.637 26.118 3.048 1.00 0.00 S ATOM 0 H CYS A 36 -55.186 23.822 3.829 1.00 0.00 H new ATOM 0 HA CYS A 36 -52.364 23.304 3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -53.445 24.868 2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -54.026 25.822 3.367 1.00 0.00 H new ATOM 0 HG CYS A 36 -51.780 27.217 2.369 1.00 0.00 H new ATOM 581 N TRP A 37 -51.492 23.756 5.730 1.00 0.00 N ATOM 582 CA TRP A 37 -50.920 24.020 7.039 1.00 0.00 C ATOM 583 C TRP A 37 -50.018 25.250 6.921 1.00 0.00 C ATOM 584 O TRP A 37 -48.983 25.332 7.580 1.00 0.00 O ATOM 585 CB TRP A 37 -50.185 22.790 7.576 1.00 0.00 C ATOM 586 CG TRP A 37 -49.430 21.999 6.505 1.00 0.00 C ATOM 587 CD1 TRP A 37 -49.871 20.958 5.786 1.00 0.00 C ATOM 588 CD2 TRP A 37 -48.078 22.230 6.060 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.905 20.503 4.911 1.00 0.00 N ATOM 590 CE2 TRP A 37 -47.779 21.301 5.083 1.00 0.00 C ATOM 591 CE3 TRP A 37 -47.137 23.192 6.467 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -46.541 21.242 4.434 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -45.904 23.121 5.808 1.00 0.00 C ATOM 594 CH2 TRP A 37 -45.587 22.191 4.824 1.00 0.00 C ATOM 0 H TRP A 37 -50.958 23.104 5.155 1.00 0.00 H new ATOM 0 HA TRP A 37 -51.704 24.231 7.766 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -49.479 23.108 8.344 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -50.906 22.131 8.059 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.858 20.529 5.879 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -49.000 19.725 4.258 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -47.349 23.928 7.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.332 20.504 3.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -45.146 23.839 6.083 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -44.610 22.200 4.363 1.00 0.00 H new ATOM 605 N LYS A 38 -50.444 26.178 6.077 1.00 0.00 N ATOM 606 CA LYS A 38 -49.687 27.401 5.863 1.00 0.00 C ATOM 607 C LYS A 38 -50.605 28.606 6.076 1.00 0.00 C ATOM 608 O LYS A 38 -50.214 29.585 6.710 1.00 0.00 O ATOM 609 CB LYS A 38 -49.009 27.378 4.492 1.00 0.00 C ATOM 610 CG LYS A 38 -47.671 28.119 4.531 1.00 0.00 C ATOM 611 CD LYS A 38 -47.839 29.578 4.101 1.00 0.00 C ATOM 612 CE LYS A 38 -46.897 30.493 4.886 1.00 0.00 C ATOM 613 NZ LYS A 38 -47.498 31.835 5.054 1.00 0.00 N ATOM 0 H LYS A 38 -51.304 26.108 5.533 1.00 0.00 H new ATOM 0 HA LYS A 38 -48.879 27.483 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -48.849 26.346 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -49.663 27.838 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -47.258 28.079 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -46.957 27.622 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.637 29.672 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -48.871 29.891 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -46.688 30.057 5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -45.944 30.578 4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -46.845 32.443 5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -47.676 32.255 4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -48.396 31.751 5.572 1.00 0.00 H new ATOM 627 N CYS A 39 -51.809 28.496 5.534 1.00 0.00 N ATOM 628 CA CYS A 39 -52.786 29.565 5.656 1.00 0.00 C ATOM 629 C CYS A 39 -53.791 29.174 6.741 1.00 0.00 C ATOM 630 O CYS A 39 -54.335 30.038 7.429 1.00 0.00 O ATOM 631 CB CYS A 39 -53.472 29.860 4.321 1.00 0.00 C ATOM 632 SG CYS A 39 -54.306 28.355 3.700 1.00 0.00 S ATOM 0 H CYS A 39 -52.130 27.683 5.009 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.284 30.489 5.942 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.198 30.663 4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -52.737 30.205 3.594 1.00 0.00 H new ATOM 0 HG CYS A 39 -53.414 27.497 3.302 1.00 0.00 H new ATOM 637 N GLY A 40 -54.010 27.873 6.860 1.00 0.00 N ATOM 638 CA GLY A 40 -54.942 27.359 7.850 1.00 0.00 C ATOM 639 C GLY A 40 -56.332 27.161 7.242 1.00 0.00 C ATOM 640 O GLY A 40 -57.337 27.240 7.947 1.00 0.00 O ATOM 0 H GLY A 40 -53.559 27.159 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -54.575 26.411 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -55.004 28.050 8.690 1.00 0.00 H new ATOM 644 N LYS A 41 -56.345 26.906 5.942 1.00 0.00 N ATOM 645 CA LYS A 41 -57.596 26.697 5.232 1.00 0.00 C ATOM 646 C LYS A 41 -57.623 25.277 4.665 1.00 0.00 C ATOM 647 O LYS A 41 -56.708 24.874 3.948 1.00 0.00 O ATOM 648 CB LYS A 41 -57.802 27.786 4.177 1.00 0.00 C ATOM 649 CG LYS A 41 -58.910 28.753 4.597 1.00 0.00 C ATOM 650 CD LYS A 41 -58.325 29.999 5.267 1.00 0.00 C ATOM 651 CE LYS A 41 -58.800 30.114 6.717 1.00 0.00 C ATOM 652 NZ LYS A 41 -60.161 30.694 6.772 1.00 0.00 N ATOM 0 H LYS A 41 -55.509 26.839 5.361 1.00 0.00 H new ATOM 0 HA LYS A 41 -58.441 26.784 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -56.872 28.335 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.057 27.328 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -59.493 29.045 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.593 28.253 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -57.236 29.954 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -58.622 30.889 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -58.798 29.130 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -58.109 30.738 7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -60.468 30.765 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -60.152 31.642 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.820 30.083 6.248 1.00 0.00 H new ATOM 666 N GLU A 42 -58.681 24.557 5.006 1.00 0.00 N ATOM 667 CA GLU A 42 -58.839 23.191 4.539 1.00 0.00 C ATOM 668 C GLU A 42 -59.417 23.177 3.122 1.00 0.00 C ATOM 669 O GLU A 42 -60.056 24.140 2.700 1.00 0.00 O ATOM 670 CB GLU A 42 -59.718 22.382 5.496 1.00 0.00 C ATOM 671 CG GLU A 42 -61.158 22.898 5.487 1.00 0.00 C ATOM 672 CD GLU A 42 -62.156 21.738 5.450 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.376 21.215 4.337 1.00 0.00 O ATOM 674 OE2 GLU A 42 -62.675 21.401 6.536 1.00 0.00 O ATOM 0 H GLU A 42 -59.438 24.894 5.601 1.00 0.00 H new ATOM 0 HA GLU A 42 -57.856 22.721 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -59.703 21.331 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -59.313 22.442 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -61.335 23.507 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -61.312 23.543 4.622 1.00 0.00 H new ATOM 681 N GLY A 43 -59.171 22.076 2.428 1.00 0.00 N ATOM 682 CA GLY A 43 -59.658 21.925 1.067 1.00 0.00 C ATOM 683 C GLY A 43 -58.571 22.284 0.052 1.00 0.00 C ATOM 684 O GLY A 43 -58.838 22.368 -1.145 1.00 0.00 O ATOM 0 H GLY A 43 -58.641 21.280 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -59.986 20.898 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.528 22.564 0.915 1.00 0.00 H new ATOM 688 N HIS A 44 -57.368 22.486 0.569 1.00 0.00 N ATOM 689 CA HIS A 44 -56.239 22.834 -0.277 1.00 0.00 C ATOM 690 C HIS A 44 -54.946 22.763 0.537 1.00 0.00 C ATOM 691 O HIS A 44 -54.983 22.579 1.752 1.00 0.00 O ATOM 692 CB HIS A 44 -56.452 24.200 -0.933 1.00 0.00 C ATOM 693 CG HIS A 44 -55.959 25.362 -0.104 1.00 0.00 C ATOM 694 ND1 HIS A 44 -54.792 26.067 -0.161 1.00 0.00 N flip ATOM 695 CD2 HIS A 44 -56.701 25.918 0.924 1.00 0.00 C flip ATOM 696 CE1 HIS A 44 -54.820 27.003 0.779 1.00 0.00 C flip ATOM 697 NE2 HIS A 44 -56.003 26.912 1.454 1.00 0.00 N flip ATOM 0 H HIS A 44 -57.150 22.415 1.563 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.155 22.114 -1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.943 24.212 -1.897 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.515 24.334 -1.132 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -54.027 25.902 -0.816 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -57.682 25.596 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -54.036 27.719 0.977 1.00 0.00 H new ATOM 705 N GLN A 45 -53.833 22.911 -0.166 1.00 0.00 N ATOM 706 CA GLN A 45 -52.530 22.866 0.476 1.00 0.00 C ATOM 707 C GLN A 45 -51.702 24.091 0.084 1.00 0.00 C ATOM 708 O GLN A 45 -52.077 24.834 -0.821 1.00 0.00 O ATOM 709 CB GLN A 45 -51.792 21.570 0.130 1.00 0.00 C ATOM 710 CG GLN A 45 -51.333 21.576 -1.330 1.00 0.00 C ATOM 711 CD GLN A 45 -49.898 21.058 -1.454 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.012 21.421 -0.698 1.00 0.00 O ATOM 713 NE2 GLN A 45 -49.721 20.190 -2.446 1.00 0.00 N ATOM 0 H GLN A 45 -53.806 23.062 -1.174 1.00 0.00 H new ATOM 0 HA GLN A 45 -52.678 22.883 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -50.930 21.452 0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.446 20.716 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.001 20.956 -1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.394 22.588 -1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -50.507 19.929 -3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -48.800 19.785 -2.611 1.00 0.00 H new ATOM 722 N MET A 46 -50.591 24.263 0.785 1.00 0.00 N ATOM 723 CA MET A 46 -49.706 25.385 0.521 1.00 0.00 C ATOM 724 C MET A 46 -49.311 25.436 -0.956 1.00 0.00 C ATOM 725 O MET A 46 -49.277 26.509 -1.556 1.00 0.00 O ATOM 726 CB MET A 46 -48.447 25.256 1.382 1.00 0.00 C ATOM 727 CG MET A 46 -47.400 26.297 0.981 1.00 0.00 C ATOM 728 SD MET A 46 -45.897 26.038 1.906 1.00 0.00 S ATOM 729 CE MET A 46 -45.095 24.831 0.863 1.00 0.00 C ATOM 0 H MET A 46 -50.283 23.644 1.535 1.00 0.00 H new ATOM 0 HA MET A 46 -50.234 26.306 0.769 1.00 0.00 H new ATOM 0 HB2 MET A 46 -48.706 25.382 2.433 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.030 24.255 1.275 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.196 26.227 -0.087 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.783 27.300 1.167 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.134 24.556 1.297 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.724 23.944 0.783 1.00 0.00 H new ATOM 0 HE3 MET A 46 -44.937 25.255 -0.129 1.00 0.00 H new ATOM 739 N LYS A 47 -49.022 24.263 -1.499 1.00 0.00 N ATOM 740 CA LYS A 47 -48.632 24.161 -2.895 1.00 0.00 C ATOM 741 C LYS A 47 -49.689 24.839 -3.768 1.00 0.00 C ATOM 742 O LYS A 47 -49.395 25.277 -4.879 1.00 0.00 O ATOM 743 CB LYS A 47 -48.367 22.702 -3.272 1.00 0.00 C ATOM 744 CG LYS A 47 -47.455 22.608 -4.497 1.00 0.00 C ATOM 745 CD LYS A 47 -46.310 21.624 -4.255 1.00 0.00 C ATOM 746 CE LYS A 47 -44.971 22.356 -4.148 1.00 0.00 C ATOM 747 NZ LYS A 47 -44.147 22.108 -5.353 1.00 0.00 N ATOM 0 H LYS A 47 -49.050 23.375 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.693 24.687 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -47.907 22.183 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -49.312 22.199 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -48.035 22.290 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -47.050 23.593 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -46.496 21.063 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -46.269 20.901 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -45.143 23.426 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -44.436 22.021 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -43.242 22.612 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.968 21.088 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -44.652 22.450 -6.195 1.00 0.00 H new ATOM 761 N ASP A 48 -50.898 24.907 -3.231 1.00 0.00 N ATOM 762 CA ASP A 48 -52.002 25.525 -3.947 1.00 0.00 C ATOM 763 C ASP A 48 -52.725 26.501 -3.016 1.00 0.00 C ATOM 764 O ASP A 48 -53.954 26.531 -2.976 1.00 0.00 O ATOM 765 CB ASP A 48 -53.014 24.477 -4.410 1.00 0.00 C ATOM 766 CG ASP A 48 -53.570 24.692 -5.819 1.00 0.00 C ATOM 767 OD1 ASP A 48 -54.283 25.703 -6.000 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.269 23.841 -6.685 1.00 0.00 O ATOM 0 H ASP A 48 -51.138 24.544 -2.308 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.593 26.040 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -52.542 23.495 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.846 24.462 -3.706 1.00 0.00 H new ATOM 773 N CYS A 49 -51.931 27.276 -2.292 1.00 0.00 N ATOM 774 CA CYS A 49 -52.480 28.252 -1.365 1.00 0.00 C ATOM 775 C CYS A 49 -53.138 29.369 -2.176 1.00 0.00 C ATOM 776 O CYS A 49 -52.816 29.562 -3.348 1.00 0.00 O ATOM 777 CB CYS A 49 -51.410 28.791 -0.413 1.00 0.00 C ATOM 778 SG CYS A 49 -52.201 29.513 1.071 1.00 0.00 S ATOM 0 H CYS A 49 -50.912 27.248 -2.328 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.229 27.776 -0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.734 27.988 -0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.808 29.546 -0.919 1.00 0.00 H new ATOM 0 HG CYS A 49 -51.285 29.966 1.874 1.00 0.00 H new ATOM 783 N THR A 50 -54.048 30.075 -1.522 1.00 0.00 N ATOM 784 CA THR A 50 -54.755 31.167 -2.168 1.00 0.00 C ATOM 785 C THR A 50 -54.412 32.498 -1.494 1.00 0.00 C ATOM 786 O THR A 50 -54.815 33.559 -1.966 1.00 0.00 O ATOM 787 CB THR A 50 -56.250 30.843 -2.145 1.00 0.00 C ATOM 788 OG1 THR A 50 -56.546 30.670 -0.762 1.00 0.00 O ATOM 789 CG2 THR A 50 -56.563 29.480 -2.766 1.00 0.00 C ATOM 0 H THR A 50 -54.312 29.912 -0.550 1.00 0.00 H new ATOM 0 HA THR A 50 -54.447 31.276 -3.208 1.00 0.00 H new ATOM 0 HB THR A 50 -56.798 31.620 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 50 -57.497 30.458 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 50 -57.637 29.299 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.233 29.469 -3.805 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.042 28.699 -2.212 1.00 0.00 H new ATOM 797 N GLU A 51 -53.670 32.396 -0.401 1.00 0.00 N ATOM 798 CA GLU A 51 -53.268 33.577 0.343 1.00 0.00 C ATOM 799 C GLU A 51 -51.796 33.898 0.074 1.00 0.00 C ATOM 800 O GLU A 51 -51.472 34.974 -0.425 1.00 0.00 O ATOM 801 CB GLU A 51 -53.525 33.397 1.840 1.00 0.00 C ATOM 802 CG GLU A 51 -54.162 34.651 2.442 1.00 0.00 C ATOM 803 CD GLU A 51 -53.126 35.763 2.615 1.00 0.00 C ATOM 804 OE1 GLU A 51 -52.240 35.584 3.480 1.00 0.00 O ATOM 805 OE2 GLU A 51 -53.241 36.767 1.879 1.00 0.00 O ATOM 0 H GLU A 51 -53.337 31.513 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 51 -53.872 34.419 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -54.179 32.540 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -52.586 33.181 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -54.969 34.998 1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -54.606 34.410 3.408 1.00 0.00 H new