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 -148:sc= -0.86! USER MOD Set 1.2: A 39 CYS SG : rot -38:sc= -3.1! USER MOD Set 1.3: A 44 HIS :FLIP no HE2:sc= -3.49! C(o=-11!,f=-7.5!) USER MOD Set 1.4: A 49 CYS SG : rot 180:sc=-0.00186 USER MOD Set 2.1: A 15 CYS SG : rot 120:sc= -0.492 USER MOD Set 2.2: A 17 ASN :FLIP amide:sc= -0.0893 F(o=-4.5,f=-3.6) USER MOD Set 2.3: A 18 CYS SG : rot -71:sc= 0.111 USER MOD Set 2.4: A 23 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-8.1!) USER MOD Set 2.5: A 28 CYS SG : rot 104:sc= 0.4 USER MOD Single : A 2 GLN : amide:sc=-0.000662 K(o=-0.00066,f=-0.59) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.9!) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.337 F(o=-2.9!,f=-0.34) USER MOD Single : A 9 GLN : amide:sc= 0.312 K(o=0.31,f=-2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.577 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+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.78! C(o=-6.8!,f=-4.8!) 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= -5.67! 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 -46:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -31.074 8.264 5.369 1.00 0.00 N ATOM 19 CA GLN A 2 -31.168 6.814 5.409 1.00 0.00 C ATOM 20 C GLN A 2 -32.634 6.377 5.397 1.00 0.00 C ATOM 21 O GLN A 2 -33.387 6.694 6.317 1.00 0.00 O ATOM 22 CB GLN A 2 -30.438 6.250 6.630 1.00 0.00 C ATOM 23 CG GLN A 2 -29.008 5.840 6.271 1.00 0.00 C ATOM 24 CD GLN A 2 -28.230 5.416 7.519 1.00 0.00 C ATOM 25 OE1 GLN A 2 -28.385 5.969 8.596 1.00 0.00 O ATOM 26 NE2 GLN A 2 -27.389 4.405 7.315 1.00 0.00 N ATOM 0 HA GLN A 2 -30.682 6.413 4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -30.418 6.997 7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.981 5.388 7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -29.030 5.018 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -28.498 6.672 5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -27.308 3.988 6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -26.825 4.047 8.086 1.00 0.00 H new ATOM 35 N LYS A 3 -32.994 5.656 4.346 1.00 0.00 N ATOM 36 CA LYS A 3 -34.357 5.172 4.202 1.00 0.00 C ATOM 37 C LYS A 3 -34.686 4.234 5.366 1.00 0.00 C ATOM 38 O LYS A 3 -35.838 4.141 5.786 1.00 0.00 O ATOM 39 CB LYS A 3 -34.557 4.536 2.824 1.00 0.00 C ATOM 40 CG LYS A 3 -33.842 3.187 2.734 1.00 0.00 C ATOM 41 CD LYS A 3 -33.229 2.982 1.348 1.00 0.00 C ATOM 42 CE LYS A 3 -33.709 1.669 0.725 1.00 0.00 C ATOM 43 NZ LYS A 3 -32.639 1.066 -0.101 1.00 0.00 N ATOM 0 H LYS A 3 -32.366 5.395 3.586 1.00 0.00 H new ATOM 0 HA LYS A 3 -35.063 6.001 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -35.622 4.401 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -34.177 5.205 2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -33.061 3.134 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -34.547 2.383 2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -33.499 3.816 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.142 2.976 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -34.006 0.974 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -34.591 1.852 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.981 0.176 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.375 1.724 -0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.808 0.874 0.494 1.00 0.00 H new ATOM 57 N GLY A 4 -33.653 3.563 5.853 1.00 0.00 N ATOM 58 CA GLY A 4 -33.818 2.638 6.961 1.00 0.00 C ATOM 59 C GLY A 4 -34.407 3.343 8.183 1.00 0.00 C ATOM 60 O GLY A 4 -35.022 2.706 9.037 1.00 0.00 O ATOM 0 H GLY A 4 -32.699 3.641 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.471 1.818 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.854 2.200 7.220 1.00 0.00 H new ATOM 64 N ASN A 5 -34.198 4.651 8.230 1.00 0.00 N ATOM 65 CA ASN A 5 -34.700 5.451 9.334 1.00 0.00 C ATOM 66 C ASN A 5 -36.217 5.281 9.432 1.00 0.00 C ATOM 67 O ASN A 5 -36.772 5.238 10.529 1.00 0.00 O ATOM 68 CB ASN A 5 -34.403 6.935 9.118 1.00 0.00 C ATOM 69 CG ASN A 5 -32.948 7.260 9.467 1.00 0.00 C ATOM 70 OD1 ASN A 5 -32.013 6.711 8.909 1.00 0.00 O ATOM 71 ND2 ASN A 5 -32.812 8.180 10.417 1.00 0.00 N ATOM 0 H ASN A 5 -33.687 5.177 7.521 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.207 5.114 10.246 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -34.600 7.202 8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -35.072 7.537 9.734 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -31.881 8.466 10.720 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.639 8.600 10.843 1.00 0.00 H new ATOM 78 N PHE A 6 -36.846 5.189 8.269 1.00 0.00 N ATOM 79 CA PHE A 6 -38.289 5.026 8.210 1.00 0.00 C ATOM 80 C PHE A 6 -38.725 3.744 8.921 1.00 0.00 C ATOM 81 O PHE A 6 -39.906 3.562 9.214 1.00 0.00 O ATOM 82 CB PHE A 6 -38.668 4.927 6.731 1.00 0.00 C ATOM 83 CG PHE A 6 -40.173 4.835 6.479 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.050 5.199 7.453 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.636 4.391 5.279 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.447 5.114 7.219 1.00 0.00 C ATOM 87 CE2 PHE A 6 -42.035 4.306 5.045 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.910 4.669 6.020 1.00 0.00 C ATOM 0 H PHE A 6 -36.383 5.224 7.361 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.778 5.867 8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.275 5.798 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.184 4.051 6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.683 5.553 8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.940 4.103 4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.143 5.403 7.993 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -42.403 3.953 4.093 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.973 4.604 5.842 1.00 0.00 H new ATOM 98 N ARG A 7 -37.748 2.887 9.181 1.00 0.00 N ATOM 99 CA ARG A 7 -38.016 1.626 9.853 1.00 0.00 C ATOM 100 C ARG A 7 -38.659 1.879 11.218 1.00 0.00 C ATOM 101 O ARG A 7 -39.231 0.970 11.816 1.00 0.00 O ATOM 102 CB ARG A 7 -36.731 0.820 10.044 1.00 0.00 C ATOM 103 CG ARG A 7 -37.040 -0.602 10.517 1.00 0.00 C ATOM 104 CD ARG A 7 -36.078 -1.033 11.626 1.00 0.00 C ATOM 105 NE ARG A 7 -35.914 -2.504 11.611 1.00 0.00 N ATOM 106 CZ ARG A 7 -35.145 -3.165 10.735 1.00 0.00 C ATOM 107 NH1 ARG A 7 -34.464 -2.491 9.799 1.00 0.00 N ATOM 108 NH2 ARG A 7 -35.057 -4.500 10.797 1.00 0.00 N ATOM 0 H ARG A 7 -36.769 3.041 8.938 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.700 1.054 9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -36.178 0.783 9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.090 1.318 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -38.066 -0.653 10.881 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.965 -1.293 9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.111 -0.550 11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -36.460 -0.711 12.595 1.00 0.00 H new ATOM 0 HE ARG A 7 -36.418 -3.048 12.311 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.531 -1.474 9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -33.879 -2.995 9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -35.575 -5.013 11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -34.472 -5.004 10.131 1.00 0.00 H new ATOM 122 N ASN A 8 -38.544 3.120 11.670 1.00 0.00 N ATOM 123 CA ASN A 8 -39.108 3.503 12.953 1.00 0.00 C ATOM 124 C ASN A 8 -40.623 3.296 12.922 1.00 0.00 C ATOM 125 O ASN A 8 -41.274 3.296 13.966 1.00 0.00 O ATOM 126 CB ASN A 8 -38.838 4.979 13.254 1.00 0.00 C ATOM 127 CG ASN A 8 -39.749 5.884 12.421 1.00 0.00 C ATOM 128 OD1 ASN A 8 -40.979 6.010 12.911 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -39.361 6.430 11.402 1.00 0.00 N flip ATOM 0 H ASN A 8 -38.069 3.872 11.171 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.644 2.887 13.723 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.998 5.173 14.315 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.795 5.212 13.041 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -38.403 6.290 11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.995 7.026 10.870 1.00 0.00 H new ATOM 136 N GLN A 9 -41.140 3.125 11.715 1.00 0.00 N ATOM 137 CA GLN A 9 -42.567 2.917 11.534 1.00 0.00 C ATOM 138 C GLN A 9 -43.033 1.706 12.344 1.00 0.00 C ATOM 139 O GLN A 9 -44.173 1.665 12.806 1.00 0.00 O ATOM 140 CB GLN A 9 -42.915 2.754 10.054 1.00 0.00 C ATOM 141 CG GLN A 9 -44.291 3.346 9.744 1.00 0.00 C ATOM 142 CD GLN A 9 -45.335 2.243 9.560 1.00 0.00 C ATOM 143 OE1 GLN A 9 -45.028 1.115 9.209 1.00 0.00 O ATOM 144 NE2 GLN A 9 -46.581 2.629 9.815 1.00 0.00 N ATOM 0 H GLN A 9 -40.596 3.126 10.852 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.092 3.799 11.901 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.158 3.246 9.443 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.902 1.697 9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.596 4.009 10.554 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.234 3.952 8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.768 3.589 10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -47.350 1.965 9.721 1.00 0.00 H new ATOM 153 N ARG A 10 -42.129 0.749 12.492 1.00 0.00 N ATOM 154 CA ARG A 10 -42.434 -0.461 13.237 1.00 0.00 C ATOM 155 C ARG A 10 -42.861 -0.111 14.665 1.00 0.00 C ATOM 156 O ARG A 10 -43.488 -0.920 15.344 1.00 0.00 O ATOM 157 CB ARG A 10 -41.224 -1.395 13.288 1.00 0.00 C ATOM 158 CG ARG A 10 -41.645 -2.816 13.670 1.00 0.00 C ATOM 159 CD ARG A 10 -40.623 -3.457 14.610 1.00 0.00 C ATOM 160 NE ARG A 10 -39.653 -4.260 13.832 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.984 -5.325 13.089 1.00 0.00 C ATOM 162 NH1 ARG A 10 -41.262 -5.722 13.018 1.00 0.00 N ATOM 163 NH2 ARG A 10 -39.037 -5.994 12.416 1.00 0.00 N ATOM 0 H ARG A 10 -41.185 0.787 12.109 1.00 0.00 H new ATOM 0 HA ARG A 10 -43.250 -0.970 12.724 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.728 -1.407 12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.500 -1.019 14.011 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -42.623 -2.792 14.152 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -41.748 -3.423 12.770 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -40.099 -2.684 15.173 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -41.132 -4.090 15.336 1.00 0.00 H new ATOM 0 HE ARG A 10 -38.671 -3.986 13.863 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -41.983 -5.213 13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -41.514 -6.533 12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -38.064 -5.692 12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -39.289 -6.805 11.851 1.00 0.00 H new ATOM 177 N LYS A 11 -42.501 1.097 15.075 1.00 0.00 N ATOM 178 CA LYS A 11 -42.838 1.564 16.410 1.00 0.00 C ATOM 179 C LYS A 11 -43.555 2.912 16.307 1.00 0.00 C ATOM 180 O LYS A 11 -43.317 3.807 17.116 1.00 0.00 O ATOM 181 CB LYS A 11 -41.592 1.595 17.297 1.00 0.00 C ATOM 182 CG LYS A 11 -41.947 1.273 18.750 1.00 0.00 C ATOM 183 CD LYS A 11 -40.684 1.074 19.591 1.00 0.00 C ATOM 184 CE LYS A 11 -40.298 -0.405 19.658 1.00 0.00 C ATOM 185 NZ LYS A 11 -39.078 -0.659 18.859 1.00 0.00 N ATOM 0 H LYS A 11 -41.980 1.766 14.507 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.527 0.872 16.894 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.861 0.875 16.929 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.126 2.579 17.242 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -42.544 2.082 19.170 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -42.559 0.372 18.788 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -39.863 1.649 19.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -40.849 1.456 20.598 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -40.128 -0.696 20.695 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -41.118 -1.018 19.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -38.830 -1.667 18.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -39.253 -0.400 17.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -38.293 -0.088 19.233 1.00 0.00 H new ATOM 199 N THR A 12 -44.417 3.013 15.306 1.00 0.00 N ATOM 200 CA THR A 12 -45.169 4.237 15.088 1.00 0.00 C ATOM 201 C THR A 12 -44.321 5.256 14.325 1.00 0.00 C ATOM 202 O THR A 12 -43.097 5.269 14.450 1.00 0.00 O ATOM 203 CB THR A 12 -45.651 4.744 16.448 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.003 3.560 17.158 1.00 0.00 O ATOM 205 CG2 THR A 12 -46.964 5.524 16.351 1.00 0.00 C ATOM 0 H THR A 12 -44.611 2.268 14.637 1.00 0.00 H new ATOM 0 HA THR A 12 -46.044 4.057 14.463 1.00 0.00 H new ATOM 0 HB THR A 12 -44.883 5.379 16.890 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.325 3.798 18.052 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.261 5.861 17.344 1.00 0.00 H new ATOM 0 HG22 THR A 12 -46.827 6.388 15.701 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.741 4.879 15.939 1.00 0.00 H new ATOM 213 N VAL A 13 -45.005 6.085 13.549 1.00 0.00 N ATOM 214 CA VAL A 13 -44.330 7.105 12.765 1.00 0.00 C ATOM 215 C VAL A 13 -45.087 8.427 12.895 1.00 0.00 C ATOM 216 O VAL A 13 -46.176 8.469 13.466 1.00 0.00 O ATOM 217 CB VAL A 13 -44.184 6.638 11.315 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.549 6.541 10.630 1.00 0.00 C ATOM 219 CG2 VAL A 13 -43.244 7.560 10.535 1.00 0.00 C ATOM 0 H VAL A 13 -46.020 6.071 13.447 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.321 7.271 13.142 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.743 5.641 11.327 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.417 6.207 9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.175 5.827 11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -46.029 7.520 10.635 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -43.157 7.206 9.508 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.644 8.574 10.537 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -42.260 7.557 11.004 1.00 0.00 H new ATOM 229 N LYS A 14 -44.483 9.475 12.355 1.00 0.00 N ATOM 230 CA LYS A 14 -45.087 10.795 12.403 1.00 0.00 C ATOM 231 C LYS A 14 -45.261 11.324 10.979 1.00 0.00 C ATOM 232 O LYS A 14 -44.316 11.318 10.191 1.00 0.00 O ATOM 233 CB LYS A 14 -44.275 11.723 13.309 1.00 0.00 C ATOM 234 CG LYS A 14 -45.083 12.967 13.684 1.00 0.00 C ATOM 235 CD LYS A 14 -44.161 14.110 14.119 1.00 0.00 C ATOM 236 CE LYS A 14 -44.433 14.510 15.570 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.592 15.667 15.954 1.00 0.00 N ATOM 0 H LYS A 14 -43.580 9.436 11.881 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.081 10.743 12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.982 11.189 14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.357 12.020 12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -45.685 13.284 12.832 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.775 12.726 14.491 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.120 13.804 14.011 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -44.310 14.970 13.467 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -45.486 14.762 15.693 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -44.227 13.668 16.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -43.788 15.926 16.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -42.588 15.414 15.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.808 16.474 15.335 1.00 0.00 H new ATOM 251 N CYS A 15 -46.476 11.769 10.691 1.00 0.00 N ATOM 252 CA CYS A 15 -46.786 12.300 9.374 1.00 0.00 C ATOM 253 C CYS A 15 -46.479 13.799 9.377 1.00 0.00 C ATOM 254 O CYS A 15 -47.164 14.576 10.040 1.00 0.00 O ATOM 255 CB CYS A 15 -48.235 12.016 8.976 1.00 0.00 C ATOM 256 SG CYS A 15 -48.500 12.460 7.221 1.00 0.00 S ATOM 0 H CYS A 15 -47.257 11.773 11.347 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.169 11.804 8.625 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.464 10.962 9.131 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.914 12.586 9.610 1.00 0.00 H new ATOM 0 HG CYS A 15 -48.874 11.406 6.558 1.00 0.00 H new ATOM 261 N PHE A 16 -45.448 14.162 8.627 1.00 0.00 N ATOM 262 CA PHE A 16 -45.042 15.553 8.535 1.00 0.00 C ATOM 263 C PHE A 16 -45.852 16.291 7.466 1.00 0.00 C ATOM 264 O PHE A 16 -45.494 17.397 7.066 1.00 0.00 O ATOM 265 CB PHE A 16 -43.565 15.563 8.136 1.00 0.00 C ATOM 266 CG PHE A 16 -43.327 15.753 6.636 1.00 0.00 C ATOM 267 CD1 PHE A 16 -43.716 14.790 5.758 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.727 16.885 6.181 1.00 0.00 C ATOM 269 CE1 PHE A 16 -43.495 14.967 4.367 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.506 17.063 4.790 1.00 0.00 C ATOM 271 CZ PHE A 16 -42.894 16.100 3.911 1.00 0.00 C ATOM 0 H PHE A 16 -44.882 13.516 8.077 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.209 16.053 9.489 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.058 16.361 8.678 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.108 14.625 8.450 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.193 13.891 6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -42.418 17.650 6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -43.804 14.202 3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.030 17.963 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 16 -42.725 16.234 2.853 1.00 0.00 H new ATOM 281 N ASN A 17 -46.927 15.648 7.036 1.00 0.00 N ATOM 282 CA ASN A 17 -47.790 16.229 6.022 1.00 0.00 C ATOM 283 C ASN A 17 -49.106 16.665 6.668 1.00 0.00 C ATOM 284 O ASN A 17 -49.498 17.827 6.563 1.00 0.00 O ATOM 285 CB ASN A 17 -48.116 15.211 4.927 1.00 0.00 C ATOM 286 CG ASN A 17 -49.391 15.602 4.178 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.292 14.626 4.097 1.00 0.00 O flip ATOM 288 ND2 ASN A 17 -49.548 16.716 3.704 1.00 0.00 N flip ATOM 0 H ASN A 17 -47.220 14.730 7.371 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.268 17.078 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.284 15.146 4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.238 14.222 5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -48.816 17.420 3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.411 16.943 3.210 1.00 0.00 H new ATOM 295 N CYS A 18 -49.753 15.712 7.323 1.00 0.00 N ATOM 296 CA CYS A 18 -51.016 15.984 7.987 1.00 0.00 C ATOM 297 C CYS A 18 -50.742 16.187 9.478 1.00 0.00 C ATOM 298 O CYS A 18 -51.511 16.854 10.169 1.00 0.00 O ATOM 299 CB CYS A 18 -52.035 14.869 7.741 1.00 0.00 C ATOM 300 SG CYS A 18 -51.603 13.395 8.737 1.00 0.00 S ATOM 0 H CYS A 18 -49.426 14.750 7.408 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.459 16.890 7.574 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.035 15.215 8.003 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.054 14.610 6.682 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.531 12.842 8.252 1.00 0.00 H new ATOM 305 N GLY A 19 -49.643 15.602 9.931 1.00 0.00 N ATOM 306 CA GLY A 19 -49.258 15.710 11.327 1.00 0.00 C ATOM 307 C GLY A 19 -49.554 14.413 12.080 1.00 0.00 C ATOM 308 O GLY A 19 -48.743 13.960 12.888 1.00 0.00 O ATOM 0 H GLY A 19 -49.007 15.051 9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.195 15.941 11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.795 16.536 11.793 1.00 0.00 H new ATOM 312 N LYS A 20 -50.717 13.849 11.790 1.00 0.00 N ATOM 313 CA LYS A 20 -51.131 12.612 12.431 1.00 0.00 C ATOM 314 C LYS A 20 -49.948 11.642 12.467 1.00 0.00 C ATOM 315 O LYS A 20 -48.982 11.807 11.724 1.00 0.00 O ATOM 316 CB LYS A 20 -52.372 12.041 11.743 1.00 0.00 C ATOM 317 CG LYS A 20 -53.470 11.732 12.762 1.00 0.00 C ATOM 318 CD LYS A 20 -54.616 12.739 12.656 1.00 0.00 C ATOM 319 CE LYS A 20 -55.521 12.418 11.465 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.935 12.710 11.794 1.00 0.00 N ATOM 0 H LYS A 20 -51.386 14.226 11.119 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.425 12.798 13.464 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.744 12.753 11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.107 11.133 11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -53.851 10.724 12.597 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.053 11.755 13.769 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -55.201 12.727 13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.211 13.745 12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.214 13.005 10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -55.414 11.368 11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -57.535 12.486 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -57.229 12.131 12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -57.035 13.717 12.032 1.00 0.00 H new ATOM 334 N GLU A 21 -50.063 10.652 13.339 1.00 0.00 N ATOM 335 CA GLU A 21 -49.015 9.655 13.483 1.00 0.00 C ATOM 336 C GLU A 21 -49.522 8.283 13.031 1.00 0.00 C ATOM 337 O GLU A 21 -50.699 8.128 12.711 1.00 0.00 O ATOM 338 CB GLU A 21 -48.502 9.603 14.922 1.00 0.00 C ATOM 339 CG GLU A 21 -49.625 9.232 15.892 1.00 0.00 C ATOM 340 CD GLU A 21 -50.080 10.452 16.696 1.00 0.00 C ATOM 341 OE1 GLU A 21 -50.337 11.493 16.053 1.00 0.00 O ATOM 342 OE2 GLU A 21 -50.160 10.317 17.937 1.00 0.00 O ATOM 0 H GLU A 21 -50.866 10.518 13.954 1.00 0.00 H new ATOM 0 HA GLU A 21 -48.179 9.940 12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.695 8.874 14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -48.084 10.571 15.198 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.469 8.822 15.337 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.281 8.452 16.571 1.00 0.00 H new ATOM 349 N GLY A 22 -48.607 7.325 13.020 1.00 0.00 N ATOM 350 CA GLY A 22 -48.946 5.973 12.613 1.00 0.00 C ATOM 351 C GLY A 22 -48.551 5.722 11.155 1.00 0.00 C ATOM 352 O GLY A 22 -48.372 4.577 10.744 1.00 0.00 O ATOM 0 H GLY A 22 -47.632 7.459 13.286 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.438 5.257 13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -50.017 5.810 12.736 1.00 0.00 H new ATOM 356 N HIS A 23 -48.428 6.814 10.414 1.00 0.00 N ATOM 357 CA HIS A 23 -48.057 6.727 9.011 1.00 0.00 C ATOM 358 C HIS A 23 -47.274 7.979 8.611 1.00 0.00 C ATOM 359 O HIS A 23 -47.148 8.917 9.397 1.00 0.00 O ATOM 360 CB HIS A 23 -49.291 6.494 8.137 1.00 0.00 C ATOM 361 CG HIS A 23 -50.181 7.706 7.997 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.389 7.829 8.662 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.029 8.845 7.262 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.929 8.993 8.335 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.085 9.622 7.468 1.00 0.00 N ATOM 0 H HIS A 23 -48.578 7.762 10.758 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.406 5.867 8.854 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.967 6.177 7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.873 5.675 8.559 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.191 9.076 6.621 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.873 9.377 8.692 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.240 10.538 7.047 1.00 0.00 H new ATOM 373 N ILE A 24 -46.766 7.954 7.386 1.00 0.00 N ATOM 374 CA ILE A 24 -45.999 9.075 6.871 1.00 0.00 C ATOM 375 C ILE A 24 -46.734 9.684 5.676 1.00 0.00 C ATOM 376 O ILE A 24 -47.607 9.046 5.088 1.00 0.00 O ATOM 377 CB ILE A 24 -44.566 8.642 6.556 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.549 7.495 5.543 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.805 8.289 7.835 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.140 7.271 4.991 1.00 0.00 C ATOM 0 H ILE A 24 -46.871 7.175 6.736 1.00 0.00 H new ATOM 0 HA ILE A 24 -45.913 9.857 7.625 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.049 9.484 6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -44.907 6.581 6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.233 7.718 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.789 7.985 7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.770 9.160 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.312 7.471 8.346 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.156 6.451 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.794 8.179 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.464 7.024 5.809 1.00 0.00 H new ATOM 392 N ALA A 25 -46.354 10.911 5.351 1.00 0.00 N ATOM 393 CA ALA A 25 -46.967 11.614 4.236 1.00 0.00 C ATOM 394 C ALA A 25 -46.883 10.743 2.981 1.00 0.00 C ATOM 395 O ALA A 25 -47.821 10.701 2.186 1.00 0.00 O ATOM 396 CB ALA A 25 -46.285 12.971 4.051 1.00 0.00 C ATOM 0 H ALA A 25 -45.629 11.437 5.840 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.022 11.804 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -46.745 13.498 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.399 13.562 4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.225 12.821 3.846 1.00 0.00 H new ATOM 402 N LYS A 26 -45.750 10.069 2.843 1.00 0.00 N ATOM 403 CA LYS A 26 -45.532 9.201 1.698 1.00 0.00 C ATOM 404 C LYS A 26 -46.820 8.437 1.388 1.00 0.00 C ATOM 405 O LYS A 26 -47.065 8.065 0.242 1.00 0.00 O ATOM 406 CB LYS A 26 -44.322 8.294 1.937 1.00 0.00 C ATOM 407 CG LYS A 26 -44.750 6.830 2.064 1.00 0.00 C ATOM 408 CD LYS A 26 -43.543 5.896 1.960 1.00 0.00 C ATOM 409 CE LYS A 26 -42.234 6.686 1.984 1.00 0.00 C ATOM 410 NZ LYS A 26 -41.091 5.787 2.262 1.00 0.00 N ATOM 0 H LYS A 26 -44.974 10.106 3.504 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.291 9.791 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.616 8.400 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -43.804 8.605 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.253 6.676 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.470 6.589 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.557 5.184 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.605 5.317 1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.087 7.186 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.286 7.464 2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -40.210 6.339 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -41.226 5.329 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -41.033 5.060 1.521 1.00 0.00 H new ATOM 424 N ASN A 27 -47.611 8.227 2.430 1.00 0.00 N ATOM 425 CA ASN A 27 -48.869 7.514 2.284 1.00 0.00 C ATOM 426 C ASN A 27 -49.861 8.019 3.334 1.00 0.00 C ATOM 427 O ASN A 27 -50.368 7.240 4.138 1.00 0.00 O ATOM 428 CB ASN A 27 -48.678 6.012 2.497 1.00 0.00 C ATOM 429 CG ASN A 27 -47.433 5.730 3.340 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.353 6.462 4.448 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.600 4.904 3.007 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.405 8.538 3.379 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.242 7.690 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.557 5.597 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.588 5.513 1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.723 4.376 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.781 4.741 3.592 1.00 0.00 H new ATOM 438 N CYS A 28 -50.108 9.321 3.291 1.00 0.00 N ATOM 439 CA CYS A 28 -51.030 9.938 4.228 1.00 0.00 C ATOM 440 C CYS A 28 -52.456 9.564 3.817 1.00 0.00 C ATOM 441 O CYS A 28 -52.736 9.380 2.634 1.00 0.00 O ATOM 442 CB CYS A 28 -50.835 11.454 4.298 1.00 0.00 C ATOM 443 SG CYS A 28 -52.012 12.182 5.495 1.00 0.00 S ATOM 0 H CYS A 28 -49.685 9.964 2.622 1.00 0.00 H new ATOM 0 HA CYS A 28 -50.834 9.566 5.233 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -49.812 11.684 4.596 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -50.987 11.894 3.313 1.00 0.00 H new ATOM 0 HG CYS A 28 -51.385 12.477 6.595 1.00 0.00 H new ATOM 448 N ARG A 29 -53.318 9.463 4.817 1.00 0.00 N ATOM 449 CA ARG A 29 -54.708 9.114 4.574 1.00 0.00 C ATOM 450 C ARG A 29 -55.629 10.234 5.061 1.00 0.00 C ATOM 451 O ARG A 29 -56.716 9.970 5.573 1.00 0.00 O ATOM 452 CB ARG A 29 -55.081 7.811 5.284 1.00 0.00 C ATOM 453 CG ARG A 29 -55.629 6.783 4.292 1.00 0.00 C ATOM 454 CD ARG A 29 -57.123 7.002 4.046 1.00 0.00 C ATOM 455 NE ARG A 29 -57.589 6.123 2.950 1.00 0.00 N ATOM 456 CZ ARG A 29 -58.727 6.311 2.269 1.00 0.00 C ATOM 457 NH1 ARG A 29 -59.523 7.348 2.566 1.00 0.00 N ATOM 458 NH2 ARG A 29 -59.071 5.462 1.290 1.00 0.00 N ATOM 0 H ARG A 29 -53.082 9.617 5.797 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.833 8.977 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.205 7.404 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -55.826 8.012 6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -55.087 6.857 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.464 5.777 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.685 6.791 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -57.309 8.045 3.791 1.00 0.00 H new ATOM 0 HE ARG A 29 -57.007 5.324 2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -59.262 7.994 3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -60.389 7.491 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -58.466 4.673 1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -59.938 5.605 0.772 1.00 0.00 H new ATOM 472 N ALA A 30 -55.162 11.461 4.885 1.00 0.00 N ATOM 473 CA ALA A 30 -55.930 12.622 5.299 1.00 0.00 C ATOM 474 C ALA A 30 -57.405 12.400 4.959 1.00 0.00 C ATOM 475 O ALA A 30 -57.727 11.661 4.030 1.00 0.00 O ATOM 476 CB ALA A 30 -55.360 13.876 4.634 1.00 0.00 C ATOM 0 H ALA A 30 -54.260 11.676 4.461 1.00 0.00 H new ATOM 0 HA ALA A 30 -55.858 12.765 6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.937 14.747 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.319 14.005 4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -55.417 13.771 3.551 1.00 0.00 H new ATOM 482 N PRO A 31 -58.285 13.071 5.750 1.00 0.00 N ATOM 483 CA PRO A 31 -59.718 12.954 5.542 1.00 0.00 C ATOM 484 C PRO A 31 -60.160 13.753 4.313 1.00 0.00 C ATOM 485 O PRO A 31 -61.021 13.308 3.557 1.00 0.00 O ATOM 486 CB PRO A 31 -60.346 13.454 6.832 1.00 0.00 C ATOM 487 CG PRO A 31 -59.266 14.263 7.535 1.00 0.00 C ATOM 488 CD PRO A 31 -57.940 13.954 6.860 1.00 0.00 C ATOM 0 HA PRO A 31 -60.030 11.931 5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.223 14.068 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.678 12.622 7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -59.486 15.329 7.474 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -59.225 14.006 8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -57.455 14.864 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -57.248 13.471 7.550 1.00 0.00 H new ATOM 496 N ARG A 32 -59.550 14.919 4.155 1.00 0.00 N ATOM 497 CA ARG A 32 -59.870 15.783 3.031 1.00 0.00 C ATOM 498 C ARG A 32 -58.874 15.563 1.892 1.00 0.00 C ATOM 499 O ARG A 32 -57.784 15.037 2.109 1.00 0.00 O ATOM 500 CB ARG A 32 -59.845 17.256 3.445 1.00 0.00 C ATOM 501 CG ARG A 32 -61.261 17.828 3.524 1.00 0.00 C ATOM 502 CD ARG A 32 -61.983 17.335 4.779 1.00 0.00 C ATOM 503 NE ARG A 32 -62.858 18.403 5.313 1.00 0.00 N ATOM 504 CZ ARG A 32 -64.005 18.793 4.740 1.00 0.00 C ATOM 505 NH1 ARG A 32 -64.423 18.202 3.612 1.00 0.00 N ATOM 506 NH2 ARG A 32 -64.733 19.770 5.295 1.00 0.00 N ATOM 0 H ARG A 32 -58.837 15.285 4.786 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.875 15.529 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -59.354 17.357 4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -59.257 17.829 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -61.217 18.917 3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -61.825 17.536 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -62.576 16.451 4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -61.255 17.038 5.534 1.00 0.00 H new ATOM 0 HE ARG A 32 -62.570 18.872 6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -63.868 17.457 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -65.296 18.498 3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -64.415 20.218 6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -65.606 20.066 4.858 1.00 0.00 H new ATOM 520 N LYS A 33 -59.285 15.977 0.702 1.00 0.00 N ATOM 521 CA LYS A 33 -58.442 15.831 -0.473 1.00 0.00 C ATOM 522 C LYS A 33 -57.117 16.559 -0.237 1.00 0.00 C ATOM 523 O LYS A 33 -56.058 16.072 -0.632 1.00 0.00 O ATOM 524 CB LYS A 33 -59.184 16.298 -1.726 1.00 0.00 C ATOM 525 CG LYS A 33 -58.467 15.830 -2.995 1.00 0.00 C ATOM 526 CD LYS A 33 -59.374 14.933 -3.838 1.00 0.00 C ATOM 527 CE LYS A 33 -59.845 15.659 -5.100 1.00 0.00 C ATOM 528 NZ LYS A 33 -61.239 16.130 -4.937 1.00 0.00 N ATOM 0 H LYS A 33 -60.190 16.413 0.526 1.00 0.00 H new ATOM 0 HA LYS A 33 -58.205 14.781 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -60.203 15.910 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -59.257 17.386 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -58.158 16.695 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -57.561 15.287 -2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -58.838 14.026 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -60.237 14.625 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -59.190 16.506 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -59.779 14.990 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -61.543 16.620 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -61.862 15.316 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -61.292 16.785 -4.131 1.00 0.00 H new ATOM 542 N LYS A 34 -57.218 17.714 0.405 1.00 0.00 N ATOM 543 CA LYS A 34 -56.040 18.513 0.698 1.00 0.00 C ATOM 544 C LYS A 34 -56.421 19.644 1.654 1.00 0.00 C ATOM 545 O LYS A 34 -57.335 20.418 1.373 1.00 0.00 O ATOM 546 CB LYS A 34 -55.385 18.997 -0.597 1.00 0.00 C ATOM 547 CG LYS A 34 -53.969 18.436 -0.739 1.00 0.00 C ATOM 548 CD LYS A 34 -53.538 18.395 -2.206 1.00 0.00 C ATOM 549 CE LYS A 34 -53.929 17.067 -2.856 1.00 0.00 C ATOM 550 NZ LYS A 34 -54.001 17.210 -4.327 1.00 0.00 N ATOM 0 H LYS A 34 -58.097 18.115 0.730 1.00 0.00 H new ATOM 0 HA LYS A 34 -55.286 17.909 1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -55.989 18.690 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -55.351 20.086 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -53.272 19.050 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -53.928 17.432 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -54.001 19.219 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -52.459 18.534 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -53.201 16.299 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -54.893 16.736 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -54.268 16.299 -4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -54.713 17.928 -4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -53.073 17.504 -4.693 1.00 0.00 H new ATOM 564 N GLY A 35 -55.703 19.704 2.765 1.00 0.00 N ATOM 565 CA GLY A 35 -55.955 20.729 3.765 1.00 0.00 C ATOM 566 C GLY A 35 -54.764 21.682 3.887 1.00 0.00 C ATOM 567 O GLY A 35 -53.715 21.307 4.409 1.00 0.00 O ATOM 0 H GLY A 35 -54.947 19.060 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -56.849 21.292 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -56.151 20.261 4.730 1.00 0.00 H new ATOM 571 N CYS A 36 -54.965 22.895 3.395 1.00 0.00 N ATOM 572 CA CYS A 36 -53.921 23.904 3.442 1.00 0.00 C ATOM 573 C CYS A 36 -53.580 24.176 4.910 1.00 0.00 C ATOM 574 O CYS A 36 -54.369 24.784 5.630 1.00 0.00 O ATOM 575 CB CYS A 36 -54.335 25.181 2.707 1.00 0.00 C ATOM 576 SG CYS A 36 -52.929 26.352 2.647 1.00 0.00 S ATOM 0 H CYS A 36 -55.836 23.202 2.962 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.034 23.537 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.661 24.939 1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.183 25.643 3.213 1.00 0.00 H new ATOM 0 HG CYS A 36 -53.378 27.572 2.676 1.00 0.00 H new ATOM 581 N TRP A 37 -52.406 23.711 5.306 1.00 0.00 N ATOM 582 CA TRP A 37 -51.951 23.895 6.674 1.00 0.00 C ATOM 583 C TRP A 37 -51.171 25.210 6.739 1.00 0.00 C ATOM 584 O TRP A 37 -50.488 25.483 7.726 1.00 0.00 O ATOM 585 CB TRP A 37 -51.134 22.692 7.147 1.00 0.00 C ATOM 586 CG TRP A 37 -50.278 22.051 6.053 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.417 20.838 5.501 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.138 22.643 5.395 1.00 0.00 C ATOM 589 NE1 TRP A 37 -49.454 20.606 4.540 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.652 21.738 4.474 1.00 0.00 C ATOM 591 CE3 TRP A 37 -48.537 23.902 5.574 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.543 21.996 3.658 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -47.430 24.144 4.752 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.928 23.243 3.818 1.00 0.00 C ATOM 0 H TRP A 37 -51.755 23.207 4.704 1.00 0.00 H new ATOM 0 HA TRP A 37 -52.798 23.958 7.357 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -50.485 23.006 7.965 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -51.813 21.940 7.550 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -51.186 20.131 5.774 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -49.350 19.759 3.981 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -48.901 24.625 6.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -47.182 21.271 2.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -46.931 25.097 4.850 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.068 23.505 3.219 1.00 0.00 H new ATOM 605 N LYS A 38 -51.298 25.991 5.676 1.00 0.00 N ATOM 606 CA LYS A 38 -50.614 27.270 5.600 1.00 0.00 C ATOM 607 C LYS A 38 -51.590 28.389 5.973 1.00 0.00 C ATOM 608 O LYS A 38 -51.217 29.340 6.656 1.00 0.00 O ATOM 609 CB LYS A 38 -49.967 27.451 4.227 1.00 0.00 C ATOM 610 CG LYS A 38 -49.159 28.750 4.167 1.00 0.00 C ATOM 611 CD LYS A 38 -47.669 28.460 3.977 1.00 0.00 C ATOM 612 CE LYS A 38 -46.823 29.262 4.971 1.00 0.00 C ATOM 613 NZ LYS A 38 -46.590 30.633 4.464 1.00 0.00 N ATOM 0 H LYS A 38 -51.865 25.762 4.860 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.796 27.307 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.316 26.603 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.738 27.462 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -49.520 29.370 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -49.308 29.318 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.482 27.395 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -47.373 28.709 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.328 29.306 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -45.869 28.761 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -46.015 31.164 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -46.088 30.586 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -47.503 31.114 4.332 1.00 0.00 H new ATOM 627 N CYS A 39 -52.820 28.235 5.506 1.00 0.00 N ATOM 628 CA CYS A 39 -53.853 29.220 5.781 1.00 0.00 C ATOM 629 C CYS A 39 -54.814 28.632 6.817 1.00 0.00 C ATOM 630 O CYS A 39 -55.309 29.348 7.687 1.00 0.00 O ATOM 631 CB CYS A 39 -54.581 29.648 4.505 1.00 0.00 C ATOM 632 SG CYS A 39 -55.318 28.188 3.686 1.00 0.00 S ATOM 0 H CYS A 39 -53.125 27.444 4.939 1.00 0.00 H new ATOM 0 HA CYS A 39 -53.398 30.126 6.182 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -55.360 30.372 4.746 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.885 30.142 3.828 1.00 0.00 H new ATOM 0 HG CYS A 39 -54.510 27.175 3.795 1.00 0.00 H new ATOM 637 N GLY A 40 -55.050 27.335 6.688 1.00 0.00 N ATOM 638 CA GLY A 40 -55.943 26.642 7.601 1.00 0.00 C ATOM 639 C GLY A 40 -57.302 26.381 6.948 1.00 0.00 C ATOM 640 O GLY A 40 -58.316 26.276 7.635 1.00 0.00 O ATOM 0 H GLY A 40 -54.638 26.745 5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.495 25.696 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.078 27.237 8.504 1.00 0.00 H new ATOM 644 N LYS A 41 -57.277 26.284 5.627 1.00 0.00 N ATOM 645 CA LYS A 41 -58.494 26.037 4.872 1.00 0.00 C ATOM 646 C LYS A 41 -58.410 24.659 4.214 1.00 0.00 C ATOM 647 O LYS A 41 -57.359 24.275 3.702 1.00 0.00 O ATOM 648 CB LYS A 41 -58.752 27.176 3.884 1.00 0.00 C ATOM 649 CG LYS A 41 -60.017 27.951 4.259 1.00 0.00 C ATOM 650 CD LYS A 41 -60.756 28.433 3.008 1.00 0.00 C ATOM 651 CE LYS A 41 -60.839 29.961 2.975 1.00 0.00 C ATOM 652 NZ LYS A 41 -62.017 30.432 3.737 1.00 0.00 N ATOM 0 H LYS A 41 -56.434 26.372 5.060 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.358 26.021 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.897 27.852 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.854 26.772 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.675 27.316 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.753 28.806 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -60.242 28.074 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -61.760 28.010 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -59.930 30.390 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -60.904 30.305 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -62.059 31.471 3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -62.883 30.037 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -61.939 30.119 4.726 1.00 0.00 H new ATOM 666 N GLU A 42 -59.530 23.952 4.247 1.00 0.00 N ATOM 667 CA GLU A 42 -59.596 22.625 3.660 1.00 0.00 C ATOM 668 C GLU A 42 -60.097 22.707 2.216 1.00 0.00 C ATOM 669 O GLU A 42 -60.751 23.678 1.838 1.00 0.00 O ATOM 670 CB GLU A 42 -60.481 21.699 4.496 1.00 0.00 C ATOM 671 CG GLU A 42 -61.951 22.111 4.399 1.00 0.00 C ATOM 672 CD GLU A 42 -62.419 22.781 5.692 1.00 0.00 C ATOM 673 OE1 GLU A 42 -61.978 22.314 6.765 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.207 23.745 5.580 1.00 0.00 O ATOM 0 H GLU A 42 -60.400 24.274 4.672 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.591 22.203 3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.364 20.671 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.160 21.726 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.086 22.795 3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.566 21.234 4.197 1.00 0.00 H new ATOM 681 N GLY A 43 -59.774 21.675 1.451 1.00 0.00 N ATOM 682 CA GLY A 43 -60.184 21.619 0.058 1.00 0.00 C ATOM 683 C GLY A 43 -59.028 22.001 -0.869 1.00 0.00 C ATOM 684 O GLY A 43 -59.015 21.620 -2.039 1.00 0.00 O ATOM 0 H GLY A 43 -59.233 20.871 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.531 20.614 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -61.024 22.294 -0.105 1.00 0.00 H new ATOM 688 N HIS A 44 -58.087 22.748 -0.312 1.00 0.00 N ATOM 689 CA HIS A 44 -56.929 23.185 -1.075 1.00 0.00 C ATOM 690 C HIS A 44 -55.667 23.036 -0.224 1.00 0.00 C ATOM 691 O HIS A 44 -55.730 22.555 0.907 1.00 0.00 O ATOM 692 CB HIS A 44 -57.128 24.611 -1.595 1.00 0.00 C ATOM 693 CG HIS A 44 -56.711 25.684 -0.617 1.00 0.00 C ATOM 694 ND1 HIS A 44 -55.602 26.476 -0.584 1.00 0.00 N flip ATOM 695 CD2 HIS A 44 -57.477 26.037 0.480 1.00 0.00 C flip ATOM 696 CE1 HIS A 44 -55.685 27.271 0.475 1.00 0.00 C flip ATOM 697 NE2 HIS A 44 -56.847 27.001 1.136 1.00 0.00 N flip ATOM 0 H HIS A 44 -58.102 23.062 0.658 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.809 22.552 -1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -56.560 24.733 -2.517 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -58.179 24.752 -1.847 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -54.838 26.460 -1.259 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -58.426 25.601 0.755 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -54.953 28.010 0.766 1.00 0.00 H new ATOM 705 N GLN A 45 -54.551 23.456 -0.799 1.00 0.00 N ATOM 706 CA GLN A 45 -53.275 23.375 -0.108 1.00 0.00 C ATOM 707 C GLN A 45 -52.465 24.653 -0.334 1.00 0.00 C ATOM 708 O GLN A 45 -52.827 25.481 -1.170 1.00 0.00 O ATOM 709 CB GLN A 45 -52.487 22.141 -0.553 1.00 0.00 C ATOM 710 CG GLN A 45 -51.991 22.298 -1.992 1.00 0.00 C ATOM 711 CD GLN A 45 -50.537 21.840 -2.123 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.687 22.146 -1.303 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.301 21.091 -3.197 1.00 0.00 N ATOM 0 H GLN A 45 -54.503 23.854 -1.737 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.469 23.276 0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.638 21.987 0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.117 21.255 -0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.622 21.715 -2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -52.077 23.340 -2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -51.059 20.873 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.362 20.735 -3.374 1.00 0.00 H new ATOM 722 N MET A 46 -51.386 24.775 0.425 1.00 0.00 N ATOM 723 CA MET A 46 -50.523 25.939 0.317 1.00 0.00 C ATOM 724 C MET A 46 -50.083 26.162 -1.130 1.00 0.00 C ATOM 725 O MET A 46 -50.037 27.298 -1.600 1.00 0.00 O ATOM 726 CB MET A 46 -49.290 25.743 1.203 1.00 0.00 C ATOM 727 CG MET A 46 -48.277 26.869 0.988 1.00 0.00 C ATOM 728 SD MET A 46 -47.199 26.470 -0.377 1.00 0.00 S ATOM 729 CE MET A 46 -45.893 25.623 0.499 1.00 0.00 C ATOM 0 H MET A 46 -51.090 24.087 1.117 1.00 0.00 H new ATOM 0 HA MET A 46 -51.082 26.815 0.645 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.591 25.715 2.250 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.825 24.783 0.979 1.00 0.00 H new ATOM 0 HG2 MET A 46 -48.799 27.805 0.788 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.690 27.018 1.894 1.00 0.00 H new ATOM 0 HE1 MET A 46 -45.128 25.303 -0.209 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.450 26.297 1.232 1.00 0.00 H new ATOM 0 HE3 MET A 46 -46.303 24.751 1.009 1.00 0.00 H new ATOM 739 N LYS A 47 -49.770 25.061 -1.797 1.00 0.00 N ATOM 740 CA LYS A 47 -49.334 25.123 -3.182 1.00 0.00 C ATOM 741 C LYS A 47 -50.384 25.867 -4.009 1.00 0.00 C ATOM 742 O LYS A 47 -50.055 26.510 -5.005 1.00 0.00 O ATOM 743 CB LYS A 47 -49.017 23.722 -3.707 1.00 0.00 C ATOM 744 CG LYS A 47 -48.074 23.787 -4.910 1.00 0.00 C ATOM 745 CD LYS A 47 -46.668 23.320 -4.530 1.00 0.00 C ATOM 746 CE LYS A 47 -45.980 24.337 -3.617 1.00 0.00 C ATOM 747 NZ LYS A 47 -45.451 25.470 -4.409 1.00 0.00 N ATOM 0 H LYS A 47 -49.810 24.121 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 47 -48.405 25.686 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.561 23.128 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -49.941 23.219 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -48.463 23.164 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -48.032 24.808 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -46.725 22.355 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -46.073 23.175 -5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -46.688 24.704 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -45.168 23.855 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -44.987 26.151 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -44.760 25.117 -5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -46.233 25.940 -4.908 1.00 0.00 H new ATOM 761 N ASP A 48 -51.629 25.755 -3.567 1.00 0.00 N ATOM 762 CA ASP A 48 -52.729 26.408 -4.254 1.00 0.00 C ATOM 763 C ASP A 48 -53.485 27.299 -3.266 1.00 0.00 C ATOM 764 O ASP A 48 -54.713 27.372 -3.303 1.00 0.00 O ATOM 765 CB ASP A 48 -53.715 25.383 -4.816 1.00 0.00 C ATOM 766 CG ASP A 48 -54.184 25.653 -6.247 1.00 0.00 C ATOM 767 OD1 ASP A 48 -54.110 26.832 -6.656 1.00 0.00 O ATOM 768 OD2 ASP A 48 -54.608 24.674 -6.899 1.00 0.00 O ATOM 0 H ASP A 48 -51.899 25.221 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 48 -52.313 26.994 -5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -53.250 24.398 -4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -54.588 25.346 -4.165 1.00 0.00 H new ATOM 773 N CYS A 49 -52.720 27.955 -2.405 1.00 0.00 N ATOM 774 CA CYS A 49 -53.303 28.838 -1.408 1.00 0.00 C ATOM 775 C CYS A 49 -54.017 29.979 -2.135 1.00 0.00 C ATOM 776 O CYS A 49 -53.710 30.272 -3.290 1.00 0.00 O ATOM 777 CB CYS A 49 -52.248 29.357 -0.429 1.00 0.00 C ATOM 778 SG CYS A 49 -53.061 30.022 1.071 1.00 0.00 S ATOM 0 H CYS A 49 -51.702 27.893 -2.377 1.00 0.00 H new ATOM 0 HA CYS A 49 -54.024 28.286 -0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.565 28.552 -0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -51.650 30.135 -0.904 1.00 0.00 H new ATOM 0 HG CYS A 49 -52.157 30.458 1.897 1.00 0.00 H new ATOM 783 N THR A 50 -54.956 30.591 -1.429 1.00 0.00 N ATOM 784 CA THR A 50 -55.717 31.693 -1.994 1.00 0.00 C ATOM 785 C THR A 50 -55.871 32.816 -0.966 1.00 0.00 C ATOM 786 O THR A 50 -56.723 33.689 -1.119 1.00 0.00 O ATOM 787 CB THR A 50 -57.052 31.139 -2.494 1.00 0.00 C ATOM 788 OG1 THR A 50 -57.665 32.247 -3.147 1.00 0.00 O ATOM 789 CG2 THR A 50 -58.012 30.803 -1.350 1.00 0.00 C ATOM 0 H THR A 50 -55.207 30.345 -0.471 1.00 0.00 H new ATOM 0 HA THR A 50 -55.197 32.140 -2.842 1.00 0.00 H new ATOM 0 HB THR A 50 -56.873 30.245 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 50 -57.580 33.046 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 50 -58.944 30.414 -1.760 1.00 0.00 H new ATOM 0 HG22 THR A 50 -57.558 30.052 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 50 -58.218 31.704 -0.772 1.00 0.00 H new ATOM 797 N GLU A 51 -55.034 32.755 0.059 1.00 0.00 N ATOM 798 CA GLU A 51 -55.066 33.755 1.112 1.00 0.00 C ATOM 799 C GLU A 51 -53.686 34.394 1.281 1.00 0.00 C ATOM 800 O GLU A 51 -53.536 35.606 1.133 1.00 0.00 O ATOM 801 CB GLU A 51 -55.556 33.150 2.429 1.00 0.00 C ATOM 802 CG GLU A 51 -57.074 32.955 2.412 1.00 0.00 C ATOM 803 CD GLU A 51 -57.683 33.269 3.780 1.00 0.00 C ATOM 804 OE1 GLU A 51 -57.594 32.383 4.658 1.00 0.00 O ATOM 805 OE2 GLU A 51 -58.223 34.388 3.918 1.00 0.00 O ATOM 0 H GLU A 51 -54.329 32.028 0.183 1.00 0.00 H new ATOM 0 HA GLU A 51 -55.772 34.534 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -55.065 32.192 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -55.279 33.801 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -57.519 33.601 1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -57.309 31.928 2.132 1.00 0.00 H new