USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 552 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -158:sc= -0.0184 (180deg=-0.472) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -0.655 (180deg=-2.22!) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -125:sc= 0.0643 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -140:sc= -2.67 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00952 USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0116) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -138:sc= -0.177 (180deg=-0.925) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= -0.0833 (180deg=-0.586) USER MOD Single : A 57 ASN : amide:sc= -0.0836 X(o=-0.084,f=-0.084) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 27.479 5.797 7.507 1.00 14.25 N ATOM 2 CA GLY A -2 26.096 6.065 7.860 1.00 21.21 C ATOM 3 C GLY A -2 25.199 6.175 6.644 1.00 5.23 C ATOM 4 O GLY A -2 25.584 5.786 5.542 1.00 33.20 O ATOM 0 H1 GLY A -2 27.804 4.942 8.002 1.00 14.25 H new ATOM 0 H2 GLY A -2 27.553 5.651 6.480 1.00 14.25 H new ATOM 0 H3 GLY A -2 28.071 6.605 7.786 1.00 14.25 H new ATOM 0 HA2 GLY A -2 25.729 5.269 8.508 1.00 21.21 H new ATOM 0 HA3 GLY A -2 26.043 6.991 8.432 1.00 21.21 H new ATOM 8 N SER A -1 23.997 6.706 6.845 1.00 11.40 N ATOM 9 CA SER A -1 23.039 6.862 5.756 1.00 32.32 C ATOM 10 C SER A -1 22.838 5.543 5.016 1.00 23.22 C ATOM 11 O SER A -1 22.614 5.525 3.806 1.00 75.41 O ATOM 12 CB SER A -1 23.514 7.941 4.781 1.00 72.32 C ATOM 13 OG SER A -1 23.916 9.111 5.471 1.00 42.22 O ATOM 0 H SER A -1 23.663 7.035 7.751 1.00 11.40 H new ATOM 0 HA SER A -1 22.084 7.166 6.185 1.00 32.32 H new ATOM 0 HB2 SER A -1 24.346 7.560 4.189 1.00 72.32 H new ATOM 0 HB3 SER A -1 22.712 8.184 4.084 1.00 72.32 H new ATOM 0 HG SER A -1 24.217 9.784 4.826 1.00 42.22 H new ATOM 19 N HIS A 0 22.921 4.440 5.753 1.00 51.20 N ATOM 20 CA HIS A 0 22.748 3.115 5.169 1.00 70.33 C ATOM 21 C HIS A 0 21.305 2.902 4.722 1.00 10.12 C ATOM 22 O HIS A 0 20.423 3.698 5.042 1.00 12.43 O ATOM 23 CB HIS A 0 23.147 2.034 6.173 1.00 24.21 C ATOM 24 CG HIS A 0 22.394 2.109 7.465 1.00 12.22 C ATOM 25 ND1 HIS A 0 23.011 2.237 8.691 1.00 30.30 N ATOM 26 CD2 HIS A 0 21.064 2.076 7.717 1.00 31.42 C ATOM 27 CE1 HIS A 0 22.095 2.277 9.641 1.00 4.14 C ATOM 28 NE2 HIS A 0 20.905 2.182 9.078 1.00 74.15 N ATOM 0 H HIS A 0 23.107 4.438 6.756 1.00 51.20 H new ATOM 0 HA HIS A 0 23.395 3.044 4.295 1.00 70.33 H new ATOM 0 HB2 HIS A 0 22.984 1.054 5.723 1.00 24.21 H new ATOM 0 HB3 HIS A 0 24.214 2.117 6.379 1.00 24.21 H new ATOM 0 HD2 HIS A 0 20.275 1.984 6.985 1.00 31.42 H new ATOM 0 HE1 HIS A 0 22.287 2.371 10.700 1.00 4.14 H new ATOM 0 HE2 HIS A 0 20.013 2.187 9.572 1.00 74.15 H new ATOM 36 N MET A 1 21.072 1.824 3.981 1.00 61.12 N ATOM 37 CA MET A 1 19.736 1.507 3.491 1.00 43.00 C ATOM 38 C MET A 1 19.276 0.147 4.006 1.00 3.35 C ATOM 39 O MET A 1 19.847 -0.886 3.657 1.00 74.14 O ATOM 40 CB MET A 1 19.714 1.520 1.960 1.00 31.45 C ATOM 41 CG MET A 1 19.487 2.901 1.368 1.00 72.54 C ATOM 42 SD MET A 1 20.993 3.890 1.317 1.00 24.43 S ATOM 43 CE MET A 1 20.425 5.328 0.413 1.00 52.40 C ATOM 0 H MET A 1 21.791 1.155 3.707 1.00 61.12 H new ATOM 0 HA MET A 1 19.050 2.268 3.864 1.00 43.00 H new ATOM 0 HB2 MET A 1 20.659 1.125 1.588 1.00 31.45 H new ATOM 0 HB3 MET A 1 18.929 0.850 1.610 1.00 31.45 H new ATOM 0 HG2 MET A 1 19.090 2.798 0.358 1.00 72.54 H new ATOM 0 HG3 MET A 1 18.733 3.425 1.955 1.00 72.54 H new ATOM 0 HE1 MET A 1 21.247 6.035 0.300 1.00 52.40 H new ATOM 0 HE2 MET A 1 20.071 5.022 -0.572 1.00 52.40 H new ATOM 0 HE3 MET A 1 19.611 5.803 0.960 1.00 52.40 H new ATOM 53 N VAL A 2 18.241 0.154 4.840 1.00 4.24 N ATOM 54 CA VAL A 2 17.705 -1.078 5.404 1.00 14.51 C ATOM 55 C VAL A 2 16.379 -1.450 4.751 1.00 54.34 C ATOM 56 O VAL A 2 15.478 -0.618 4.635 1.00 20.30 O ATOM 57 CB VAL A 2 17.499 -0.958 6.925 1.00 4.32 C ATOM 58 CG1 VAL A 2 17.155 -2.311 7.528 1.00 72.25 C ATOM 59 CG2 VAL A 2 18.737 -0.370 7.586 1.00 40.32 C ATOM 0 H VAL A 2 17.757 1.000 5.140 1.00 4.24 H new ATOM 0 HA VAL A 2 18.437 -1.860 5.205 1.00 14.51 H new ATOM 0 HB VAL A 2 16.662 -0.284 7.107 1.00 4.32 H new ATOM 0 HG11 VAL A 2 17.013 -2.205 8.604 1.00 72.25 H new ATOM 0 HG12 VAL A 2 16.237 -2.688 7.077 1.00 72.25 H new ATOM 0 HG13 VAL A 2 17.968 -3.012 7.337 1.00 72.25 H new ATOM 0 HG21 VAL A 2 18.573 -0.292 8.661 1.00 40.32 H new ATOM 0 HG22 VAL A 2 19.593 -1.017 7.395 1.00 40.32 H new ATOM 0 HG23 VAL A 2 18.932 0.621 7.176 1.00 40.32 H new ATOM 69 N GLU A 3 16.265 -2.704 4.325 1.00 52.20 N ATOM 70 CA GLU A 3 15.047 -3.185 3.682 1.00 20.21 C ATOM 71 C GLU A 3 13.889 -3.230 4.675 1.00 21.50 C ATOM 72 O GLU A 3 13.989 -3.853 5.732 1.00 24.13 O ATOM 73 CB GLU A 3 15.275 -4.574 3.084 1.00 41.32 C ATOM 74 CG GLU A 3 15.800 -4.543 1.658 1.00 34.34 C ATOM 75 CD GLU A 3 14.887 -3.785 0.716 1.00 53.21 C ATOM 76 OE1 GLU A 3 15.065 -2.557 0.575 1.00 72.44 O ATOM 77 OE2 GLU A 3 13.993 -4.420 0.118 1.00 12.41 O ATOM 0 H GLU A 3 17.001 -3.405 4.413 1.00 52.20 H new ATOM 0 HA GLU A 3 14.790 -2.491 2.882 1.00 20.21 H new ATOM 0 HB2 GLU A 3 15.981 -5.119 3.711 1.00 41.32 H new ATOM 0 HB3 GLU A 3 14.337 -5.128 3.105 1.00 41.32 H new ATOM 0 HG2 GLU A 3 16.788 -4.083 1.649 1.00 34.34 H new ATOM 0 HG3 GLU A 3 15.921 -5.564 1.297 1.00 34.34 H new ATOM 84 N MET A 4 12.793 -2.566 4.327 1.00 3.53 N ATOM 85 CA MET A 4 11.616 -2.531 5.187 1.00 12.43 C ATOM 86 C MET A 4 10.354 -2.265 4.372 1.00 41.52 C ATOM 87 O MET A 4 10.371 -1.479 3.424 1.00 41.23 O ATOM 88 CB MET A 4 11.777 -1.457 6.265 1.00 54.44 C ATOM 89 CG MET A 4 11.027 -1.768 7.549 1.00 4.45 C ATOM 90 SD MET A 4 11.780 -1.001 8.997 1.00 23.32 S ATOM 91 CE MET A 4 12.532 -2.425 9.782 1.00 1.41 C ATOM 0 H MET A 4 12.695 -2.045 3.456 1.00 3.53 H new ATOM 0 HA MET A 4 11.519 -3.505 5.666 1.00 12.43 H new ATOM 0 HB2 MET A 4 12.836 -1.338 6.492 1.00 54.44 H new ATOM 0 HB3 MET A 4 11.426 -0.503 5.871 1.00 54.44 H new ATOM 0 HG2 MET A 4 9.997 -1.425 7.455 1.00 4.45 H new ATOM 0 HG3 MET A 4 10.992 -2.848 7.692 1.00 4.45 H new ATOM 0 HE1 MET A 4 13.039 -2.112 10.695 1.00 1.41 H new ATOM 0 HE2 MET A 4 11.761 -3.155 10.027 1.00 1.41 H new ATOM 0 HE3 MET A 4 13.255 -2.876 9.102 1.00 1.41 H new ATOM 101 N ARG A 5 9.262 -2.924 4.746 1.00 25.31 N ATOM 102 CA ARG A 5 7.993 -2.759 4.048 1.00 43.01 C ATOM 103 C ARG A 5 7.532 -1.305 4.094 1.00 63.24 C ATOM 104 O ARG A 5 7.587 -0.658 5.139 1.00 21.35 O ATOM 105 CB ARG A 5 6.925 -3.663 4.667 1.00 25.01 C ATOM 106 CG ARG A 5 6.702 -3.415 6.150 1.00 61.22 C ATOM 107 CD ARG A 5 5.586 -2.410 6.386 1.00 73.13 C ATOM 108 NE ARG A 5 4.709 -2.814 7.481 1.00 13.31 N ATOM 109 CZ ARG A 5 3.698 -2.075 7.924 1.00 54.41 C ATOM 110 NH1 ARG A 5 3.437 -0.901 7.366 1.00 44.21 N ATOM 111 NH2 ARG A 5 2.944 -2.510 8.925 1.00 32.33 N ATOM 0 H ARG A 5 9.231 -3.577 5.529 1.00 25.31 H new ATOM 0 HA ARG A 5 8.141 -3.043 3.006 1.00 43.01 H new ATOM 0 HB2 ARG A 5 5.984 -3.515 4.137 1.00 25.01 H new ATOM 0 HB3 ARG A 5 7.213 -4.704 4.521 1.00 25.01 H new ATOM 0 HG2 ARG A 5 6.457 -4.355 6.644 1.00 61.22 H new ATOM 0 HG3 ARG A 5 7.624 -3.049 6.601 1.00 61.22 H new ATOM 0 HD2 ARG A 5 6.018 -1.434 6.608 1.00 73.13 H new ATOM 0 HD3 ARG A 5 5.000 -2.299 5.474 1.00 73.13 H new ATOM 0 HE ARG A 5 4.882 -3.713 7.931 1.00 13.31 H new ATOM 0 HH11 ARG A 5 4.013 -0.564 6.595 1.00 44.21 H new ATOM 0 HH12 ARG A 5 2.660 -0.335 7.708 1.00 44.21 H new ATOM 0 HH21 ARG A 5 3.140 -3.413 9.356 1.00 32.33 H new ATOM 0 HH22 ARG A 5 2.168 -1.941 9.264 1.00 32.33 H new ATOM 125 N MET A 6 7.080 -0.797 2.952 1.00 12.50 N ATOM 126 CA MET A 6 6.608 0.580 2.863 1.00 60.34 C ATOM 127 C MET A 6 6.017 0.864 1.485 1.00 31.52 C ATOM 128 O MET A 6 5.931 -0.027 0.639 1.00 4.13 O ATOM 129 CB MET A 6 7.755 1.552 3.148 1.00 42.45 C ATOM 130 CG MET A 6 8.803 1.597 2.047 1.00 22.03 C ATOM 131 SD MET A 6 10.478 1.763 2.691 1.00 23.54 S ATOM 132 CE MET A 6 10.277 3.146 3.811 1.00 40.42 C ATOM 0 H MET A 6 7.031 -1.318 2.076 1.00 12.50 H new ATOM 0 HA MET A 6 5.827 0.720 3.610 1.00 60.34 H new ATOM 0 HB2 MET A 6 7.346 2.552 3.290 1.00 42.45 H new ATOM 0 HB3 MET A 6 8.236 1.269 4.084 1.00 42.45 H new ATOM 0 HG2 MET A 6 8.736 0.688 1.449 1.00 22.03 H new ATOM 0 HG3 MET A 6 8.589 2.433 1.381 1.00 22.03 H new ATOM 0 HE1 MET A 6 11.244 3.617 3.984 1.00 40.42 H new ATOM 0 HE2 MET A 6 9.593 3.872 3.373 1.00 40.42 H new ATOM 0 HE3 MET A 6 9.872 2.791 4.758 1.00 40.42 H new ATOM 142 N LYS A 7 5.609 2.109 1.267 1.00 23.12 N ATOM 143 CA LYS A 7 5.025 2.512 -0.008 1.00 34.40 C ATOM 144 C LYS A 7 5.764 3.713 -0.588 1.00 42.42 C ATOM 145 O LYS A 7 6.522 4.387 0.109 1.00 31.54 O ATOM 146 CB LYS A 7 3.543 2.846 0.170 1.00 41.14 C ATOM 147 CG LYS A 7 3.223 3.499 1.504 1.00 11.50 C ATOM 148 CD LYS A 7 2.711 2.484 2.512 1.00 70.11 C ATOM 149 CE LYS A 7 1.362 1.917 2.097 1.00 53.00 C ATOM 150 NZ LYS A 7 0.652 1.280 3.241 1.00 71.31 N ATOM 0 H LYS A 7 5.672 2.858 1.957 1.00 23.12 H new ATOM 0 HA LYS A 7 5.121 1.679 -0.704 1.00 34.40 H new ATOM 0 HB2 LYS A 7 3.230 3.511 -0.635 1.00 41.14 H new ATOM 0 HB3 LYS A 7 2.959 1.931 0.073 1.00 41.14 H new ATOM 0 HG2 LYS A 7 4.117 3.984 1.896 1.00 11.50 H new ATOM 0 HG3 LYS A 7 2.475 4.278 1.359 1.00 11.50 H new ATOM 0 HD2 LYS A 7 3.432 1.673 2.612 1.00 70.11 H new ATOM 0 HD3 LYS A 7 2.623 2.955 3.491 1.00 70.11 H new ATOM 0 HE2 LYS A 7 0.744 2.715 1.685 1.00 53.00 H new ATOM 0 HE3 LYS A 7 1.505 1.183 1.304 1.00 53.00 H new ATOM 0 HZ1 LYS A 7 -0.374 1.305 3.070 1.00 71.31 H new ATOM 0 HZ2 LYS A 7 0.964 0.292 3.336 1.00 71.31 H new ATOM 0 HZ3 LYS A 7 0.870 1.798 4.116 1.00 71.31 H new ATOM 164 N LYS A 8 5.535 3.979 -1.870 1.00 74.42 N ATOM 165 CA LYS A 8 6.175 5.101 -2.546 1.00 23.11 C ATOM 166 C LYS A 8 5.165 5.882 -3.380 1.00 64.45 C ATOM 167 O LYS A 8 4.207 5.313 -3.903 1.00 10.42 O ATOM 168 CB LYS A 8 7.315 4.604 -3.437 1.00 43.25 C ATOM 169 CG LYS A 8 8.000 5.709 -4.223 1.00 40.31 C ATOM 170 CD LYS A 8 9.064 5.155 -5.154 1.00 54.25 C ATOM 171 CE LYS A 8 8.508 4.904 -6.548 1.00 63.25 C ATOM 172 NZ LYS A 8 9.318 3.903 -7.296 1.00 30.21 N ATOM 0 H LYS A 8 4.910 3.432 -2.462 1.00 74.42 H new ATOM 0 HA LYS A 8 6.582 5.767 -1.785 1.00 23.11 H new ATOM 0 HB2 LYS A 8 8.055 4.098 -2.817 1.00 43.25 H new ATOM 0 HB3 LYS A 8 6.923 3.863 -4.134 1.00 43.25 H new ATOM 0 HG2 LYS A 8 7.258 6.258 -4.803 1.00 40.31 H new ATOM 0 HG3 LYS A 8 8.454 6.420 -3.533 1.00 40.31 H new ATOM 0 HD2 LYS A 8 9.897 5.855 -5.214 1.00 54.25 H new ATOM 0 HD3 LYS A 8 9.458 4.225 -4.745 1.00 54.25 H new ATOM 0 HE2 LYS A 8 7.479 4.554 -6.471 1.00 63.25 H new ATOM 0 HE3 LYS A 8 8.485 5.841 -7.104 1.00 63.25 H new ATOM 0 HZ1 LYS A 8 8.907 3.760 -8.241 1.00 30.21 H new ATOM 0 HZ2 LYS A 8 10.294 4.248 -7.392 1.00 30.21 H new ATOM 0 HZ3 LYS A 8 9.319 3.001 -6.779 1.00 30.21 H new ATOM 186 N CYS A 9 5.388 7.186 -3.503 1.00 74.01 N ATOM 187 CA CYS A 9 4.497 8.044 -4.275 1.00 63.25 C ATOM 188 C CYS A 9 4.658 7.789 -5.770 1.00 41.31 C ATOM 189 O CYS A 9 5.721 8.005 -6.352 1.00 2.35 O ATOM 190 CB CYS A 9 4.777 9.516 -3.964 1.00 14.43 C ATOM 191 SG CYS A 9 3.615 10.667 -4.738 1.00 22.52 S ATOM 0 H CYS A 9 6.178 7.672 -3.078 1.00 74.01 H new ATOM 0 HA CYS A 9 3.471 7.809 -3.993 1.00 63.25 H new ATOM 0 HB2 CYS A 9 4.750 9.660 -2.884 1.00 14.43 H new ATOM 0 HB3 CYS A 9 5.787 9.760 -4.293 1.00 14.43 H new ATOM 196 N PRO A 10 3.577 7.316 -6.410 1.00 21.33 N ATOM 197 CA PRO A 10 3.573 7.018 -7.845 1.00 5.10 C ATOM 198 C PRO A 10 3.646 8.281 -8.698 1.00 21.14 C ATOM 199 O PRO A 10 3.756 8.210 -9.922 1.00 64.31 O ATOM 200 CB PRO A 10 2.234 6.307 -8.056 1.00 21.12 C ATOM 201 CG PRO A 10 1.365 6.800 -6.952 1.00 13.54 C ATOM 202 CD PRO A 10 2.276 7.034 -5.779 1.00 2.21 C ATOM 0 HA PRO A 10 4.437 6.424 -8.141 1.00 5.10 H new ATOM 0 HB2 PRO A 10 1.809 6.545 -9.031 1.00 21.12 H new ATOM 0 HB3 PRO A 10 2.350 5.224 -8.015 1.00 21.12 H new ATOM 0 HG2 PRO A 10 0.854 7.719 -7.239 1.00 13.54 H new ATOM 0 HG3 PRO A 10 0.594 6.070 -6.707 1.00 13.54 H new ATOM 0 HD2 PRO A 10 1.937 7.869 -5.167 1.00 2.21 H new ATOM 0 HD3 PRO A 10 2.326 6.161 -5.128 1.00 2.21 H new ATOM 210 N LYS A 11 3.582 9.436 -8.044 1.00 63.44 N ATOM 211 CA LYS A 11 3.644 10.714 -8.741 1.00 41.52 C ATOM 212 C LYS A 11 5.062 11.277 -8.726 1.00 15.42 C ATOM 213 O LYS A 11 5.550 11.780 -9.737 1.00 62.22 O ATOM 214 CB LYS A 11 2.679 11.715 -8.099 1.00 61.55 C ATOM 215 CG LYS A 11 1.425 11.964 -8.919 1.00 34.31 C ATOM 216 CD LYS A 11 0.580 10.706 -9.039 1.00 40.33 C ATOM 217 CE LYS A 11 -0.751 10.992 -9.718 1.00 61.43 C ATOM 218 NZ LYS A 11 -0.596 11.169 -11.189 1.00 23.15 N ATOM 0 H LYS A 11 3.487 9.513 -7.031 1.00 63.44 H new ATOM 0 HA LYS A 11 3.351 10.548 -9.778 1.00 41.52 H new ATOM 0 HB2 LYS A 11 2.392 11.349 -7.114 1.00 61.55 H new ATOM 0 HB3 LYS A 11 3.198 12.662 -7.948 1.00 61.55 H new ATOM 0 HG2 LYS A 11 0.837 12.756 -8.455 1.00 34.31 H new ATOM 0 HG3 LYS A 11 1.702 12.314 -9.913 1.00 34.31 H new ATOM 0 HD2 LYS A 11 1.125 9.953 -9.608 1.00 40.33 H new ATOM 0 HD3 LYS A 11 0.402 10.290 -8.047 1.00 40.33 H new ATOM 0 HE2 LYS A 11 -1.442 10.173 -9.522 1.00 61.43 H new ATOM 0 HE3 LYS A 11 -1.192 11.891 -9.288 1.00 61.43 H new ATOM 0 HZ1 LYS A 11 -1.525 11.362 -11.615 1.00 23.15 H new ATOM 0 HZ2 LYS A 11 0.044 11.967 -11.377 1.00 23.15 H new ATOM 0 HZ3 LYS A 11 -0.199 10.302 -11.603 1.00 23.15 H new ATOM 232 N CYS A 12 5.716 11.185 -7.573 1.00 51.55 N ATOM 233 CA CYS A 12 7.079 11.685 -7.427 1.00 13.35 C ATOM 234 C CYS A 12 8.071 10.531 -7.318 1.00 25.41 C ATOM 235 O CYS A 12 9.008 10.428 -8.109 1.00 1.55 O ATOM 236 CB CYS A 12 7.185 12.583 -6.194 1.00 64.15 C ATOM 237 SG CYS A 12 5.831 13.769 -6.026 1.00 51.44 S ATOM 0 H CYS A 12 5.326 10.770 -6.727 1.00 51.55 H new ATOM 0 HA CYS A 12 7.324 12.269 -8.314 1.00 13.35 H new ATOM 0 HB2 CYS A 12 7.217 11.956 -5.303 1.00 64.15 H new ATOM 0 HB3 CYS A 12 8.128 13.128 -6.235 1.00 64.15 H new ATOM 242 N GLY A 13 7.859 9.667 -6.330 1.00 1.13 N ATOM 243 CA GLY A 13 8.744 8.533 -6.134 1.00 4.14 C ATOM 244 C GLY A 13 9.401 8.540 -4.767 1.00 43.24 C ATOM 245 O GLY A 13 10.487 7.987 -4.589 1.00 40.15 O ATOM 0 H GLY A 13 7.091 9.732 -5.662 1.00 1.13 H new ATOM 0 HA2 GLY A 13 8.179 7.609 -6.257 1.00 4.14 H new ATOM 0 HA3 GLY A 13 9.515 8.540 -6.904 1.00 4.14 H new ATOM 249 N LEU A 14 8.742 9.168 -3.800 1.00 1.25 N ATOM 250 CA LEU A 14 9.268 9.246 -2.442 1.00 24.25 C ATOM 251 C LEU A 14 8.737 8.102 -1.584 1.00 74.21 C ATOM 252 O LEU A 14 7.537 7.824 -1.576 1.00 74.13 O ATOM 253 CB LEU A 14 8.899 10.587 -1.807 1.00 4.33 C ATOM 254 CG LEU A 14 8.852 10.616 -0.278 1.00 44.43 C ATOM 255 CD1 LEU A 14 10.220 10.301 0.305 1.00 75.41 C ATOM 256 CD2 LEU A 14 8.360 11.969 0.215 1.00 41.32 C ATOM 0 H LEU A 14 7.842 9.631 -3.931 1.00 1.25 H new ATOM 0 HA LEU A 14 10.353 9.162 -2.495 1.00 24.25 H new ATOM 0 HB2 LEU A 14 9.617 11.335 -2.143 1.00 4.33 H new ATOM 0 HB3 LEU A 14 7.923 10.890 -2.186 1.00 4.33 H new ATOM 0 HG LEU A 14 8.152 9.852 0.059 1.00 44.43 H new ATOM 0 HD11 LEU A 14 10.166 10.326 1.393 1.00 75.41 H new ATOM 0 HD12 LEU A 14 10.534 9.309 -0.020 1.00 75.41 H new ATOM 0 HD13 LEU A 14 10.942 11.041 -0.040 1.00 75.41 H new ATOM 0 HD21 LEU A 14 8.333 11.971 1.305 1.00 41.32 H new ATOM 0 HD22 LEU A 14 9.035 12.751 -0.133 1.00 41.32 H new ATOM 0 HD23 LEU A 14 7.359 12.156 -0.173 1.00 41.32 H new ATOM 268 N TYR A 15 9.636 7.442 -0.863 1.00 53.05 N ATOM 269 CA TYR A 15 9.258 6.327 -0.002 1.00 51.25 C ATOM 270 C TYR A 15 8.792 6.826 1.362 1.00 63.54 C ATOM 271 O TYR A 15 9.275 7.843 1.862 1.00 32.01 O ATOM 272 CB TYR A 15 10.434 5.365 0.167 1.00 73.31 C ATOM 273 CG TYR A 15 10.687 4.497 -1.045 1.00 41.33 C ATOM 274 CD1 TYR A 15 11.375 4.992 -2.146 1.00 55.02 C ATOM 275 CD2 TYR A 15 10.238 3.183 -1.090 1.00 71.10 C ATOM 276 CE1 TYR A 15 11.608 4.203 -3.256 1.00 51.24 C ATOM 277 CE2 TYR A 15 10.467 2.387 -2.195 1.00 50.33 C ATOM 278 CZ TYR A 15 11.152 2.901 -3.276 1.00 45.40 C ATOM 279 OH TYR A 15 11.382 2.112 -4.379 1.00 15.21 O ATOM 0 H TYR A 15 10.632 7.660 -0.857 1.00 53.05 H new ATOM 0 HA TYR A 15 8.431 5.798 -0.476 1.00 51.25 H new ATOM 0 HB2 TYR A 15 11.334 5.940 0.386 1.00 73.31 H new ATOM 0 HB3 TYR A 15 10.247 4.725 1.029 1.00 73.31 H new ATOM 0 HD1 TYR A 15 11.734 6.011 -2.134 1.00 55.02 H new ATOM 0 HD2 TYR A 15 9.700 2.777 -0.246 1.00 71.10 H new ATOM 0 HE1 TYR A 15 12.144 4.603 -4.104 1.00 51.24 H new ATOM 0 HE2 TYR A 15 10.112 1.367 -2.213 1.00 50.33 H new ATOM 0 HH TYR A 15 10.997 1.223 -4.231 1.00 15.21 H new ATOM 289 N THR A 16 7.852 6.102 1.961 1.00 65.54 N ATOM 290 CA THR A 16 7.321 6.469 3.267 1.00 72.24 C ATOM 291 C THR A 16 6.346 5.415 3.780 1.00 41.41 C ATOM 292 O THR A 16 6.018 4.461 3.072 1.00 3.24 O ATOM 293 CB THR A 16 6.607 7.833 3.220 1.00 74.12 C ATOM 294 OG1 THR A 16 6.238 8.239 4.542 1.00 21.31 O ATOM 295 CG2 THR A 16 5.367 7.764 2.341 1.00 44.54 C ATOM 0 H THR A 16 7.443 5.257 1.562 1.00 65.54 H new ATOM 0 HA THR A 16 8.171 6.535 3.946 1.00 72.24 H new ATOM 0 HB THR A 16 7.295 8.564 2.795 1.00 74.12 H new ATOM 0 HG1 THR A 16 5.786 9.108 4.503 1.00 21.31 H new ATOM 0 HG21 THR A 16 4.879 8.739 2.323 1.00 44.54 H new ATOM 0 HG22 THR A 16 5.654 7.483 1.328 1.00 44.54 H new ATOM 0 HG23 THR A 16 4.678 7.021 2.742 1.00 44.54 H new ATOM 303 N LEU A 17 5.885 5.593 5.012 1.00 1.34 N ATOM 304 CA LEU A 17 4.945 4.657 5.620 1.00 31.32 C ATOM 305 C LEU A 17 3.657 5.365 6.027 1.00 43.01 C ATOM 306 O LEU A 17 2.743 4.749 6.576 1.00 20.05 O ATOM 307 CB LEU A 17 5.579 3.987 6.841 1.00 65.24 C ATOM 308 CG LEU A 17 6.754 3.049 6.557 1.00 3.43 C ATOM 309 CD1 LEU A 17 7.828 3.202 7.622 1.00 53.20 C ATOM 310 CD2 LEU A 17 6.277 1.606 6.480 1.00 2.55 C ATOM 0 H LEU A 17 6.146 6.377 5.610 1.00 1.34 H new ATOM 0 HA LEU A 17 4.701 3.895 4.880 1.00 31.32 H new ATOM 0 HB2 LEU A 17 5.919 4.767 7.523 1.00 65.24 H new ATOM 0 HB3 LEU A 17 4.807 3.422 7.363 1.00 65.24 H new ATOM 0 HG LEU A 17 7.186 3.319 5.594 1.00 3.43 H new ATOM 0 HD11 LEU A 17 8.656 2.527 7.404 1.00 53.20 H new ATOM 0 HD12 LEU A 17 8.190 4.230 7.629 1.00 53.20 H new ATOM 0 HD13 LEU A 17 7.409 2.959 8.599 1.00 53.20 H new ATOM 0 HD21 LEU A 17 7.126 0.953 6.277 1.00 2.55 H new ATOM 0 HD22 LEU A 17 5.819 1.323 7.428 1.00 2.55 H new ATOM 0 HD23 LEU A 17 5.544 1.507 5.679 1.00 2.55 H new ATOM 322 N LYS A 18 3.590 6.663 5.753 1.00 61.02 N ATOM 323 CA LYS A 18 2.413 7.457 6.086 1.00 14.00 C ATOM 324 C LYS A 18 1.310 7.255 5.051 1.00 33.04 C ATOM 325 O LYS A 18 0.221 7.814 5.176 1.00 50.24 O ATOM 326 CB LYS A 18 2.780 8.940 6.173 1.00 14.45 C ATOM 327 CG LYS A 18 3.549 9.303 7.431 1.00 22.40 C ATOM 328 CD LYS A 18 2.619 9.757 8.543 1.00 54.22 C ATOM 329 CE LYS A 18 3.232 9.523 9.915 1.00 63.23 C ATOM 330 NZ LYS A 18 2.545 10.313 10.973 1.00 43.34 N ATOM 0 H LYS A 18 4.338 7.188 5.300 1.00 61.02 H new ATOM 0 HA LYS A 18 2.043 7.123 7.056 1.00 14.00 H new ATOM 0 HB2 LYS A 18 3.377 9.210 5.302 1.00 14.45 H new ATOM 0 HB3 LYS A 18 1.867 9.535 6.131 1.00 14.45 H new ATOM 0 HG2 LYS A 18 4.126 8.441 7.767 1.00 22.40 H new ATOM 0 HG3 LYS A 18 4.262 10.096 7.206 1.00 22.40 H new ATOM 0 HD2 LYS A 18 2.394 10.816 8.420 1.00 54.22 H new ATOM 0 HD3 LYS A 18 1.674 9.220 8.470 1.00 54.22 H new ATOM 0 HE2 LYS A 18 3.177 8.462 10.161 1.00 63.23 H new ATOM 0 HE3 LYS A 18 4.288 9.790 9.891 1.00 63.23 H new ATOM 0 HZ1 LYS A 18 2.993 10.125 11.893 1.00 43.34 H new ATOM 0 HZ2 LYS A 18 2.619 11.327 10.753 1.00 43.34 H new ATOM 0 HZ3 LYS A 18 1.542 10.040 11.014 1.00 43.34 H new ATOM 344 N GLU A 19 1.600 6.451 4.032 1.00 4.11 N ATOM 345 CA GLU A 19 0.631 6.176 2.978 1.00 62.32 C ATOM 346 C GLU A 19 0.286 7.449 2.210 1.00 44.14 C ATOM 347 O GLU A 19 -0.644 7.468 1.404 1.00 34.54 O ATOM 348 CB GLU A 19 -0.641 5.565 3.570 1.00 72.23 C ATOM 349 CG GLU A 19 -0.383 4.335 4.423 1.00 15.25 C ATOM 350 CD GLU A 19 -1.402 3.236 4.187 1.00 72.15 C ATOM 351 OE1 GLU A 19 -1.682 2.933 3.008 1.00 54.02 O ATOM 352 OE2 GLU A 19 -1.919 2.680 5.177 1.00 22.32 O ATOM 0 H GLU A 19 2.497 5.980 3.915 1.00 4.11 H new ATOM 0 HA GLU A 19 1.079 5.464 2.285 1.00 62.32 H new ATOM 0 HB2 GLU A 19 -1.148 6.317 4.175 1.00 72.23 H new ATOM 0 HB3 GLU A 19 -1.318 5.299 2.758 1.00 72.23 H new ATOM 0 HG2 GLU A 19 0.615 3.952 4.209 1.00 15.25 H new ATOM 0 HG3 GLU A 19 -0.397 4.618 5.476 1.00 15.25 H new ATOM 359 N ILE A 20 1.043 8.511 2.467 1.00 61.21 N ATOM 360 CA ILE A 20 0.819 9.787 1.801 1.00 2.42 C ATOM 361 C ILE A 20 2.136 10.503 1.524 1.00 62.42 C ATOM 362 O ILE A 20 3.069 10.440 2.327 1.00 42.33 O ATOM 363 CB ILE A 20 -0.086 10.710 2.640 1.00 13.00 C ATOM 364 CG1 ILE A 20 -1.446 10.049 2.875 1.00 14.24 C ATOM 365 CG2 ILE A 20 -0.257 12.055 1.950 1.00 12.30 C ATOM 366 CD1 ILE A 20 -2.295 9.952 1.627 1.00 34.23 C ATOM 0 H ILE A 20 1.817 8.512 3.132 1.00 61.21 H new ATOM 0 HA ILE A 20 0.323 9.565 0.856 1.00 2.42 H new ATOM 0 HB ILE A 20 0.388 10.878 3.607 1.00 13.00 H new ATOM 0 HG12 ILE A 20 -1.290 9.048 3.277 1.00 14.24 H new ATOM 0 HG13 ILE A 20 -1.990 10.615 3.631 1.00 14.24 H new ATOM 0 HG21 ILE A 20 -0.899 12.695 2.555 1.00 12.30 H new ATOM 0 HG22 ILE A 20 0.717 12.528 1.829 1.00 12.30 H new ATOM 0 HG23 ILE A 20 -0.712 11.906 0.971 1.00 12.30 H new ATOM 0 HD11 ILE A 20 -3.244 9.473 1.869 1.00 34.23 H new ATOM 0 HD12 ILE A 20 -2.482 10.952 1.236 1.00 34.23 H new ATOM 0 HD13 ILE A 20 -1.771 9.361 0.876 1.00 34.23 H new ATOM 378 N CYS A 21 2.206 11.183 0.386 1.00 72.04 N ATOM 379 CA CYS A 21 3.410 11.912 0.003 1.00 34.30 C ATOM 380 C CYS A 21 3.434 13.297 0.643 1.00 73.33 C ATOM 381 O CYS A 21 2.629 14.170 0.320 1.00 72.11 O ATOM 382 CB CYS A 21 3.493 12.038 -1.519 1.00 72.05 C ATOM 383 SG CYS A 21 4.946 12.939 -2.107 1.00 60.20 S ATOM 0 H CYS A 21 1.443 11.245 -0.288 1.00 72.04 H new ATOM 0 HA CYS A 21 4.274 11.352 0.361 1.00 34.30 H new ATOM 0 HB2 CYS A 21 3.497 11.039 -1.956 1.00 72.05 H new ATOM 0 HB3 CYS A 21 2.596 12.541 -1.881 1.00 72.05 H new ATOM 388 N PRO A 22 4.379 13.503 1.572 1.00 50.44 N ATOM 389 CA PRO A 22 4.529 14.779 2.277 1.00 32.41 C ATOM 390 C PRO A 22 5.046 15.887 1.366 1.00 1.44 C ATOM 391 O PRO A 22 5.116 17.051 1.764 1.00 55.20 O ATOM 392 CB PRO A 22 5.555 14.462 3.368 1.00 24.51 C ATOM 393 CG PRO A 22 6.336 13.313 2.831 1.00 35.32 C ATOM 394 CD PRO A 22 5.372 12.506 2.006 1.00 42.42 C ATOM 0 HA PRO A 22 3.578 15.147 2.661 1.00 32.41 H new ATOM 0 HB2 PRO A 22 6.198 15.319 3.568 1.00 24.51 H new ATOM 0 HB3 PRO A 22 5.067 14.204 4.308 1.00 24.51 H new ATOM 0 HG2 PRO A 22 7.173 13.659 2.225 1.00 35.32 H new ATOM 0 HG3 PRO A 22 6.754 12.714 3.640 1.00 35.32 H new ATOM 0 HD2 PRO A 22 5.866 12.035 1.157 1.00 42.42 H new ATOM 0 HD3 PRO A 22 4.912 11.709 2.590 1.00 42.42 H new ATOM 402 N LYS A 23 5.406 15.520 0.141 1.00 44.31 N ATOM 403 CA LYS A 23 5.915 16.483 -0.828 1.00 40.10 C ATOM 404 C LYS A 23 4.769 17.195 -1.540 1.00 61.11 C ATOM 405 O LYS A 23 4.644 18.418 -1.467 1.00 20.22 O ATOM 406 CB LYS A 23 6.809 15.782 -1.853 1.00 44.02 C ATOM 407 CG LYS A 23 8.163 16.447 -2.034 1.00 44.14 C ATOM 408 CD LYS A 23 9.104 16.118 -0.888 1.00 3.14 C ATOM 409 CE LYS A 23 9.178 17.257 0.118 1.00 12.02 C ATOM 410 NZ LYS A 23 10.454 18.016 0.004 1.00 60.21 N ATOM 0 H LYS A 23 5.355 14.562 -0.205 1.00 44.31 H new ATOM 0 HA LYS A 23 6.503 17.226 -0.290 1.00 40.10 H new ATOM 0 HB2 LYS A 23 6.960 14.748 -1.544 1.00 44.02 H new ATOM 0 HB3 LYS A 23 6.295 15.756 -2.814 1.00 44.02 H new ATOM 0 HG2 LYS A 23 8.606 16.121 -2.975 1.00 44.14 H new ATOM 0 HG3 LYS A 23 8.033 17.527 -2.100 1.00 44.14 H new ATOM 0 HD2 LYS A 23 8.766 15.211 -0.387 1.00 3.14 H new ATOM 0 HD3 LYS A 23 10.100 15.913 -1.281 1.00 3.14 H new ATOM 0 HE2 LYS A 23 8.338 17.934 -0.037 1.00 12.02 H new ATOM 0 HE3 LYS A 23 9.083 16.857 1.127 1.00 12.02 H new ATOM 0 HZ1 LYS A 23 10.466 18.783 0.706 1.00 60.21 H new ATOM 0 HZ2 LYS A 23 11.255 17.376 0.177 1.00 60.21 H new ATOM 0 HZ3 LYS A 23 10.534 18.420 -0.951 1.00 60.21 H new ATOM 424 N CYS A 24 3.935 16.423 -2.227 1.00 54.25 N ATOM 425 CA CYS A 24 2.799 16.980 -2.952 1.00 75.32 C ATOM 426 C CYS A 24 1.498 16.743 -2.191 1.00 25.52 C ATOM 427 O CYS A 24 0.614 17.597 -2.171 1.00 63.22 O ATOM 428 CB CYS A 24 2.706 16.363 -4.349 1.00 12.43 C ATOM 429 SG CYS A 24 2.472 14.570 -4.349 1.00 33.21 S ATOM 0 H CYS A 24 4.024 15.409 -2.297 1.00 54.25 H new ATOM 0 HA CYS A 24 2.953 18.055 -3.047 1.00 75.32 H new ATOM 0 HB2 CYS A 24 1.878 16.827 -4.885 1.00 12.43 H new ATOM 0 HB3 CYS A 24 3.616 16.600 -4.901 1.00 12.43 H new ATOM 434 N GLY A 25 1.389 15.575 -1.565 1.00 21.41 N ATOM 435 CA GLY A 25 0.194 15.245 -0.812 1.00 30.23 C ATOM 436 C GLY A 25 -0.663 14.208 -1.511 1.00 11.04 C ATOM 437 O GLY A 25 -1.883 14.190 -1.347 1.00 24.34 O ATOM 0 H GLY A 25 2.108 14.851 -1.566 1.00 21.41 H new ATOM 0 HA2 GLY A 25 0.479 14.873 0.172 1.00 30.23 H new ATOM 0 HA3 GLY A 25 -0.393 16.150 -0.653 1.00 30.23 H new ATOM 441 N GLU A 26 -0.025 13.343 -2.292 1.00 23.22 N ATOM 442 CA GLU A 26 -0.738 12.300 -3.020 1.00 21.14 C ATOM 443 C GLU A 26 -0.525 10.937 -2.366 1.00 24.22 C ATOM 444 O GLU A 26 0.587 10.597 -1.962 1.00 70.44 O ATOM 445 CB GLU A 26 -0.276 12.257 -4.477 1.00 74.12 C ATOM 446 CG GLU A 26 -0.897 11.124 -5.279 1.00 42.23 C ATOM 447 CD GLU A 26 -2.374 10.945 -4.989 1.00 4.13 C ATOM 448 OE1 GLU A 26 -3.077 11.967 -4.839 1.00 23.24 O ATOM 449 OE2 GLU A 26 -2.828 9.784 -4.912 1.00 65.13 O ATOM 0 H GLU A 26 0.985 13.344 -2.437 1.00 23.22 H new ATOM 0 HA GLU A 26 -1.802 12.535 -2.991 1.00 21.14 H new ATOM 0 HB2 GLU A 26 -0.520 13.206 -4.955 1.00 74.12 H new ATOM 0 HB3 GLU A 26 0.809 12.157 -4.503 1.00 74.12 H new ATOM 0 HG2 GLU A 26 -0.761 11.320 -6.343 1.00 42.23 H new ATOM 0 HG3 GLU A 26 -0.372 10.195 -5.056 1.00 42.23 H new ATOM 456 N LYS A 27 -1.598 10.162 -2.264 1.00 52.22 N ATOM 457 CA LYS A 27 -1.531 8.836 -1.662 1.00 30.31 C ATOM 458 C LYS A 27 -0.418 8.006 -2.295 1.00 4.52 C ATOM 459 O LYS A 27 -0.275 7.969 -3.518 1.00 11.44 O ATOM 460 CB LYS A 27 -2.871 8.113 -1.817 1.00 44.30 C ATOM 461 CG LYS A 27 -3.337 7.418 -0.550 1.00 32.05 C ATOM 462 CD LYS A 27 -4.033 6.103 -0.859 1.00 70.33 C ATOM 463 CE LYS A 27 -5.541 6.221 -0.704 1.00 74.22 C ATOM 464 NZ LYS A 27 -6.251 5.045 -1.281 1.00 44.22 N ATOM 0 H LYS A 27 -2.526 10.430 -2.591 1.00 52.22 H new ATOM 0 HA LYS A 27 -1.312 8.958 -0.601 1.00 30.31 H new ATOM 0 HB2 LYS A 27 -3.629 8.833 -2.126 1.00 44.30 H new ATOM 0 HB3 LYS A 27 -2.786 7.376 -2.616 1.00 44.30 H new ATOM 0 HG2 LYS A 27 -2.482 7.234 0.101 1.00 32.05 H new ATOM 0 HG3 LYS A 27 -4.018 8.072 -0.005 1.00 32.05 H new ATOM 0 HD2 LYS A 27 -3.794 5.794 -1.877 1.00 70.33 H new ATOM 0 HD3 LYS A 27 -3.657 5.326 -0.193 1.00 70.33 H new ATOM 0 HE2 LYS A 27 -5.791 6.314 0.353 1.00 74.22 H new ATOM 0 HE3 LYS A 27 -5.887 7.131 -1.195 1.00 74.22 H new ATOM 0 HZ1 LYS A 27 -7.277 5.163 -1.156 1.00 44.22 H new ATOM 0 HZ2 LYS A 27 -6.032 4.971 -2.295 1.00 44.22 H new ATOM 0 HZ3 LYS A 27 -5.940 4.179 -0.796 1.00 44.22 H new ATOM 478 N THR A 28 0.368 7.341 -1.455 1.00 33.41 N ATOM 479 CA THR A 28 1.468 6.511 -1.932 1.00 42.42 C ATOM 480 C THR A 28 0.996 5.093 -2.232 1.00 63.25 C ATOM 481 O THR A 28 -0.036 4.652 -1.729 1.00 55.23 O ATOM 482 CB THR A 28 2.615 6.453 -0.904 1.00 54.25 C ATOM 483 OG1 THR A 28 2.081 6.309 0.417 1.00 40.00 O ATOM 484 CG2 THR A 28 3.471 7.707 -0.978 1.00 23.02 C ATOM 0 H THR A 28 0.264 7.361 -0.441 1.00 33.41 H new ATOM 0 HA THR A 28 1.836 6.970 -2.850 1.00 42.42 H new ATOM 0 HB THR A 28 3.241 5.592 -1.138 1.00 54.25 H new ATOM 0 HG1 THR A 28 2.596 6.863 1.040 1.00 40.00 H new ATOM 0 HG21 THR A 28 4.274 7.643 -0.243 1.00 23.02 H new ATOM 0 HG22 THR A 28 3.899 7.797 -1.976 1.00 23.02 H new ATOM 0 HG23 THR A 28 2.855 8.581 -0.767 1.00 23.02 H new ATOM 492 N VAL A 29 1.762 4.382 -3.054 1.00 13.10 N ATOM 493 CA VAL A 29 1.423 3.012 -3.421 1.00 33.34 C ATOM 494 C VAL A 29 2.645 2.103 -3.338 1.00 11.42 C ATOM 495 O VAL A 29 3.779 2.557 -3.486 1.00 64.31 O ATOM 496 CB VAL A 29 0.838 2.939 -4.843 1.00 13.31 C ATOM 497 CG1 VAL A 29 -0.336 3.895 -4.987 1.00 12.43 C ATOM 498 CG2 VAL A 29 1.911 3.241 -5.877 1.00 63.25 C ATOM 0 H VAL A 29 2.621 4.732 -3.478 1.00 13.10 H new ATOM 0 HA VAL A 29 0.671 2.671 -2.710 1.00 33.34 H new ATOM 0 HB VAL A 29 0.475 1.926 -5.016 1.00 13.31 H new ATOM 0 HG11 VAL A 29 -0.737 3.830 -5.999 1.00 12.43 H new ATOM 0 HG12 VAL A 29 -1.113 3.627 -4.271 1.00 12.43 H new ATOM 0 HG13 VAL A 29 -0.001 4.914 -4.795 1.00 12.43 H new ATOM 0 HG21 VAL A 29 1.479 3.185 -6.876 1.00 63.25 H new ATOM 0 HG22 VAL A 29 2.307 4.242 -5.709 1.00 63.25 H new ATOM 0 HG23 VAL A 29 2.717 2.513 -5.788 1.00 63.25 H new ATOM 508 N ILE A 30 2.404 0.817 -3.103 1.00 44.33 N ATOM 509 CA ILE A 30 3.485 -0.155 -3.003 1.00 11.21 C ATOM 510 C ILE A 30 4.268 -0.243 -4.309 1.00 13.43 C ATOM 511 O ILE A 30 3.764 -0.701 -5.334 1.00 4.12 O ATOM 512 CB ILE A 30 2.951 -1.554 -2.643 1.00 30.54 C ATOM 513 CG1 ILE A 30 2.159 -1.500 -1.335 1.00 25.15 C ATOM 514 CG2 ILE A 30 4.099 -2.547 -2.531 1.00 64.34 C ATOM 515 CD1 ILE A 30 2.957 -0.963 -0.166 1.00 50.50 C ATOM 0 H ILE A 30 1.471 0.425 -2.979 1.00 44.33 H new ATOM 0 HA ILE A 30 4.147 0.189 -2.208 1.00 11.21 H new ATOM 0 HB ILE A 30 2.284 -1.887 -3.438 1.00 30.54 H new ATOM 0 HG12 ILE A 30 1.277 -0.876 -1.479 1.00 25.15 H new ATOM 0 HG13 ILE A 30 1.805 -2.502 -1.093 1.00 25.15 H new ATOM 0 HG21 ILE A 30 3.705 -3.531 -2.276 1.00 64.34 H new ATOM 0 HG22 ILE A 30 4.626 -2.603 -3.483 1.00 64.34 H new ATOM 0 HG23 ILE A 30 4.789 -2.220 -1.753 1.00 64.34 H new ATOM 0 HD11 ILE A 30 2.332 -0.953 0.727 1.00 50.50 H new ATOM 0 HD12 ILE A 30 3.825 -1.600 0.005 1.00 50.50 H new ATOM 0 HD13 ILE A 30 3.289 0.051 -0.387 1.00 50.50 H new ATOM 527 N PRO A 31 5.532 0.204 -4.271 1.00 51.42 N ATOM 528 CA PRO A 31 6.413 0.185 -5.443 1.00 11.04 C ATOM 529 C PRO A 31 6.822 -1.231 -5.837 1.00 11.22 C ATOM 530 O PRO A 31 7.521 -1.917 -5.091 1.00 44.42 O ATOM 531 CB PRO A 31 7.634 0.984 -4.982 1.00 43.32 C ATOM 532 CG PRO A 31 7.641 0.844 -3.498 1.00 41.35 C ATOM 533 CD PRO A 31 6.198 0.763 -3.084 1.00 10.04 C ATOM 0 HA PRO A 31 5.925 0.597 -6.326 1.00 11.04 H new ATOM 0 HB2 PRO A 31 8.552 0.593 -5.421 1.00 43.32 H new ATOM 0 HB3 PRO A 31 7.559 2.030 -5.281 1.00 43.32 H new ATOM 0 HG2 PRO A 31 8.185 -0.050 -3.193 1.00 41.35 H new ATOM 0 HG3 PRO A 31 8.135 1.694 -3.028 1.00 41.35 H new ATOM 0 HD2 PRO A 31 6.066 0.124 -2.211 1.00 10.04 H new ATOM 0 HD3 PRO A 31 5.799 1.744 -2.824 1.00 10.04 H new ATOM 541 N LYS A 32 6.382 -1.662 -7.014 1.00 73.21 N ATOM 542 CA LYS A 32 6.703 -2.995 -7.509 1.00 72.51 C ATOM 543 C LYS A 32 7.611 -2.918 -8.733 1.00 51.41 C ATOM 544 O LYS A 32 7.180 -3.120 -9.869 1.00 61.22 O ATOM 545 CB LYS A 32 5.422 -3.755 -7.859 1.00 43.43 C ATOM 546 CG LYS A 32 4.310 -3.573 -6.841 1.00 14.13 C ATOM 547 CD LYS A 32 3.062 -4.347 -7.233 1.00 1.31 C ATOM 548 CE LYS A 32 1.845 -3.876 -6.451 1.00 44.02 C ATOM 549 NZ LYS A 32 0.576 -4.177 -7.168 1.00 0.44 N ATOM 0 H LYS A 32 5.802 -1.107 -7.643 1.00 73.21 H new ATOM 0 HA LYS A 32 7.231 -3.530 -6.719 1.00 72.51 H new ATOM 0 HB2 LYS A 32 5.068 -3.423 -8.835 1.00 43.43 H new ATOM 0 HB3 LYS A 32 5.652 -4.817 -7.948 1.00 43.43 H new ATOM 0 HG2 LYS A 32 4.654 -3.907 -5.862 1.00 14.13 H new ATOM 0 HG3 LYS A 32 4.069 -2.514 -6.750 1.00 14.13 H new ATOM 0 HD2 LYS A 32 2.879 -4.227 -8.301 1.00 1.31 H new ATOM 0 HD3 LYS A 32 3.221 -5.410 -7.055 1.00 1.31 H new ATOM 0 HE2 LYS A 32 1.833 -4.357 -5.473 1.00 44.02 H new ATOM 0 HE3 LYS A 32 1.918 -2.802 -6.277 1.00 44.02 H new ATOM 0 HZ1 LYS A 32 -0.230 -3.841 -6.603 1.00 0.44 H new ATOM 0 HZ2 LYS A 32 0.576 -3.697 -8.091 1.00 0.44 H new ATOM 0 HZ3 LYS A 32 0.494 -5.204 -7.312 1.00 0.44 H new ATOM 563 N PRO A 33 8.897 -2.619 -8.499 1.00 31.23 N ATOM 564 CA PRO A 33 9.892 -2.510 -9.570 1.00 4.23 C ATOM 565 C PRO A 33 10.219 -3.861 -10.198 1.00 3.45 C ATOM 566 O PRO A 33 9.858 -4.917 -9.679 1.00 12.41 O ATOM 567 CB PRO A 33 11.121 -1.942 -8.855 1.00 61.24 C ATOM 568 CG PRO A 33 10.960 -2.358 -7.434 1.00 74.43 C ATOM 569 CD PRO A 33 9.480 -2.366 -7.170 1.00 0.21 C ATOM 0 HA PRO A 33 9.537 -1.892 -10.395 1.00 4.23 H new ATOM 0 HB2 PRO A 33 12.044 -2.336 -9.281 1.00 61.24 H new ATOM 0 HB3 PRO A 33 11.166 -0.857 -8.947 1.00 61.24 H new ATOM 0 HG2 PRO A 33 11.392 -3.344 -7.265 1.00 74.43 H new ATOM 0 HG3 PRO A 33 11.472 -1.667 -6.765 1.00 74.43 H new ATOM 0 HD2 PRO A 33 9.204 -3.142 -6.456 1.00 0.21 H new ATOM 0 HD3 PRO A 33 9.141 -1.416 -6.757 1.00 0.21 H new ATOM 577 N PRO A 34 10.918 -3.828 -11.342 1.00 61.42 N ATOM 578 CA PRO A 34 11.309 -5.042 -12.064 1.00 51.44 C ATOM 579 C PRO A 34 12.373 -5.842 -11.322 1.00 25.02 C ATOM 580 O PRO A 34 12.317 -7.070 -11.267 1.00 13.10 O ATOM 581 CB PRO A 34 11.868 -4.504 -13.385 1.00 22.24 C ATOM 582 CG PRO A 34 12.326 -3.123 -13.067 1.00 52.11 C ATOM 583 CD PRO A 34 11.382 -2.605 -12.017 1.00 71.34 C ATOM 0 HA PRO A 34 10.472 -5.730 -12.187 1.00 51.44 H new ATOM 0 HB2 PRO A 34 12.691 -5.121 -13.747 1.00 22.24 H new ATOM 0 HB3 PRO A 34 11.106 -4.499 -14.165 1.00 22.24 H new ATOM 0 HG2 PRO A 34 13.353 -3.127 -12.701 1.00 52.11 H new ATOM 0 HG3 PRO A 34 12.307 -2.491 -13.955 1.00 52.11 H new ATOM 0 HD2 PRO A 34 11.883 -1.929 -11.324 1.00 71.34 H new ATOM 0 HD3 PRO A 34 10.554 -2.051 -12.459 1.00 71.34 H new ATOM 591 N LYS A 35 13.345 -5.138 -10.750 1.00 44.23 N ATOM 592 CA LYS A 35 14.422 -5.782 -10.008 1.00 62.22 C ATOM 593 C LYS A 35 15.075 -6.881 -10.840 1.00 40.11 C ATOM 594 O LYS A 35 14.670 -8.042 -10.781 1.00 42.10 O ATOM 595 CB LYS A 35 13.889 -6.367 -8.699 1.00 11.33 C ATOM 596 CG LYS A 35 14.858 -6.241 -7.537 1.00 31.01 C ATOM 597 CD LYS A 35 15.041 -4.793 -7.118 1.00 63.12 C ATOM 598 CE LYS A 35 16.018 -4.666 -5.959 1.00 31.33 C ATOM 599 NZ LYS A 35 16.075 -3.275 -5.429 1.00 74.21 N ATOM 0 H LYS A 35 13.408 -4.121 -10.787 1.00 44.23 H new ATOM 0 HA LYS A 35 15.175 -5.027 -9.781 1.00 62.22 H new ATOM 0 HB2 LYS A 35 12.957 -5.865 -8.440 1.00 11.33 H new ATOM 0 HB3 LYS A 35 13.652 -7.420 -8.851 1.00 11.33 H new ATOM 0 HG2 LYS A 35 14.490 -6.822 -6.691 1.00 31.01 H new ATOM 0 HG3 LYS A 35 15.822 -6.664 -7.819 1.00 31.01 H new ATOM 0 HD2 LYS A 35 15.403 -4.211 -7.966 1.00 63.12 H new ATOM 0 HD3 LYS A 35 14.078 -4.372 -6.831 1.00 63.12 H new ATOM 0 HE2 LYS A 35 15.724 -5.347 -5.160 1.00 31.33 H new ATOM 0 HE3 LYS A 35 17.012 -4.970 -6.287 1.00 31.33 H new ATOM 0 HZ1 LYS A 35 16.752 -3.231 -4.641 1.00 74.21 H new ATOM 0 HZ2 LYS A 35 16.380 -2.628 -6.184 1.00 74.21 H new ATOM 0 HZ3 LYS A 35 15.132 -2.993 -5.092 1.00 74.21 H new ATOM 613 N PHE A 36 16.089 -6.508 -11.615 1.00 0.52 N ATOM 614 CA PHE A 36 16.798 -7.462 -12.459 1.00 3.20 C ATOM 615 C PHE A 36 18.307 -7.350 -12.256 1.00 53.33 C ATOM 616 O PHE A 36 19.090 -7.729 -13.128 1.00 2.11 O ATOM 617 CB PHE A 36 16.450 -7.231 -13.931 1.00 45.21 C ATOM 618 CG PHE A 36 15.253 -8.011 -14.394 1.00 23.10 C ATOM 619 CD1 PHE A 36 13.999 -7.763 -13.861 1.00 30.12 C ATOM 620 CD2 PHE A 36 15.383 -8.993 -15.363 1.00 41.20 C ATOM 621 CE1 PHE A 36 12.896 -8.478 -14.285 1.00 74.33 C ATOM 622 CE2 PHE A 36 14.283 -9.711 -15.792 1.00 30.11 C ATOM 623 CZ PHE A 36 13.038 -9.455 -15.251 1.00 61.32 C ATOM 0 H PHE A 36 16.438 -5.551 -11.675 1.00 0.52 H new ATOM 0 HA PHE A 36 16.484 -8.466 -12.173 1.00 3.20 H new ATOM 0 HB2 PHE A 36 16.265 -6.169 -14.090 1.00 45.21 H new ATOM 0 HB3 PHE A 36 17.309 -7.500 -14.546 1.00 45.21 H new ATOM 0 HD1 PHE A 36 13.882 -7.001 -13.104 1.00 30.12 H new ATOM 0 HD2 PHE A 36 16.354 -9.199 -15.787 1.00 41.20 H new ATOM 0 HE1 PHE A 36 11.924 -8.273 -13.862 1.00 74.33 H new ATOM 0 HE2 PHE A 36 14.397 -10.472 -16.550 1.00 30.11 H new ATOM 0 HZ PHE A 36 12.178 -10.017 -15.583 1.00 61.32 H new ATOM 633 N SER A 37 18.705 -6.828 -11.102 1.00 64.30 N ATOM 634 CA SER A 37 20.120 -6.662 -10.787 1.00 2.44 C ATOM 635 C SER A 37 20.779 -8.011 -10.519 1.00 54.45 C ATOM 636 O SER A 37 20.112 -9.047 -10.493 1.00 40.23 O ATOM 637 CB SER A 37 20.289 -5.750 -9.569 1.00 40.20 C ATOM 638 OG SER A 37 19.286 -4.749 -9.539 1.00 12.45 O ATOM 0 H SER A 37 18.069 -6.513 -10.369 1.00 64.30 H new ATOM 0 HA SER A 37 20.607 -6.203 -11.648 1.00 2.44 H new ATOM 0 HB2 SER A 37 20.242 -6.344 -8.656 1.00 40.20 H new ATOM 0 HB3 SER A 37 21.273 -5.282 -9.594 1.00 40.20 H new ATOM 0 HG SER A 37 19.415 -4.181 -8.751 1.00 12.45 H new ATOM 644 N LEU A 38 22.092 -7.992 -10.323 1.00 22.53 N ATOM 645 CA LEU A 38 22.844 -9.214 -10.058 1.00 60.12 C ATOM 646 C LEU A 38 22.266 -9.961 -8.861 1.00 2.13 C ATOM 647 O LEU A 38 22.380 -11.182 -8.765 1.00 53.24 O ATOM 648 CB LEU A 38 24.316 -8.886 -9.806 1.00 61.44 C ATOM 649 CG LEU A 38 25.121 -8.430 -11.024 1.00 53.14 C ATOM 650 CD1 LEU A 38 26.469 -7.871 -10.596 1.00 10.33 C ATOM 651 CD2 LEU A 38 25.305 -9.580 -12.003 1.00 73.34 C ATOM 0 H LEU A 38 22.659 -7.144 -10.342 1.00 22.53 H new ATOM 0 HA LEU A 38 22.766 -9.856 -10.935 1.00 60.12 H new ATOM 0 HB2 LEU A 38 24.369 -8.105 -9.048 1.00 61.44 H new ATOM 0 HB3 LEU A 38 24.798 -9.770 -9.387 1.00 61.44 H new ATOM 0 HG LEU A 38 24.566 -7.637 -11.525 1.00 53.14 H new ATOM 0 HD11 LEU A 38 27.027 -7.552 -11.476 1.00 10.33 H new ATOM 0 HD12 LEU A 38 26.316 -7.018 -9.935 1.00 10.33 H new ATOM 0 HD13 LEU A 38 27.032 -8.642 -10.069 1.00 10.33 H new ATOM 0 HD21 LEU A 38 25.880 -9.237 -12.863 1.00 73.34 H new ATOM 0 HD22 LEU A 38 25.838 -10.394 -11.512 1.00 73.34 H new ATOM 0 HD23 LEU A 38 24.329 -9.934 -12.336 1.00 73.34 H new ATOM 663 N GLU A 39 21.643 -9.217 -7.951 1.00 34.10 N ATOM 664 CA GLU A 39 21.046 -9.811 -6.760 1.00 4.20 C ATOM 665 C GLU A 39 20.102 -10.950 -7.134 1.00 53.54 C ATOM 666 O GLU A 39 19.967 -11.926 -6.397 1.00 72.12 O ATOM 667 CB GLU A 39 20.289 -8.749 -5.959 1.00 1.31 C ATOM 668 CG GLU A 39 19.453 -9.322 -4.827 1.00 52.21 C ATOM 669 CD GLU A 39 19.255 -8.337 -3.692 1.00 25.33 C ATOM 670 OE1 GLU A 39 19.201 -7.119 -3.964 1.00 11.34 O ATOM 671 OE2 GLU A 39 19.155 -8.784 -2.530 1.00 63.15 O ATOM 0 H GLU A 39 21.539 -8.204 -8.016 1.00 34.10 H new ATOM 0 HA GLU A 39 21.850 -10.216 -6.145 1.00 4.20 H new ATOM 0 HB2 GLU A 39 21.005 -8.038 -5.547 1.00 1.31 H new ATOM 0 HB3 GLU A 39 19.639 -8.192 -6.634 1.00 1.31 H new ATOM 0 HG2 GLU A 39 18.480 -9.623 -5.215 1.00 52.21 H new ATOM 0 HG3 GLU A 39 19.935 -10.221 -4.443 1.00 52.21 H new ATOM 678 N ASP A 40 19.451 -10.816 -8.285 1.00 74.13 N ATOM 679 CA ASP A 40 18.519 -11.833 -8.759 1.00 72.22 C ATOM 680 C ASP A 40 19.180 -12.733 -9.800 1.00 22.33 C ATOM 681 O ASP A 40 19.628 -12.264 -10.845 1.00 42.23 O ATOM 682 CB ASP A 40 17.272 -11.176 -9.353 1.00 34.42 C ATOM 683 CG ASP A 40 16.241 -10.832 -8.297 1.00 60.21 C ATOM 684 OD1 ASP A 40 16.617 -10.735 -7.109 1.00 52.41 O ATOM 685 OD2 ASP A 40 15.058 -10.658 -8.658 1.00 22.32 O ATOM 0 H ASP A 40 19.552 -10.014 -8.907 1.00 74.13 H new ATOM 0 HA ASP A 40 18.226 -12.447 -7.907 1.00 72.22 H new ATOM 0 HB2 ASP A 40 17.561 -10.269 -9.884 1.00 34.42 H new ATOM 0 HB3 ASP A 40 16.826 -11.847 -10.087 1.00 34.42 H new ATOM 690 N ARG A 41 19.238 -14.028 -9.503 1.00 42.51 N ATOM 691 CA ARG A 41 19.846 -14.992 -10.412 1.00 24.35 C ATOM 692 C ARG A 41 19.107 -15.024 -11.746 1.00 1.50 C ATOM 693 O ARG A 41 19.627 -14.574 -12.767 1.00 71.30 O ATOM 694 CB ARG A 41 19.846 -16.387 -9.783 1.00 40.11 C ATOM 695 CG ARG A 41 21.047 -16.653 -8.891 1.00 21.23 C ATOM 696 CD ARG A 41 21.225 -18.139 -8.625 1.00 52.24 C ATOM 697 NE ARG A 41 22.406 -18.412 -7.810 1.00 60.34 N ATOM 698 CZ ARG A 41 22.456 -18.215 -6.498 1.00 34.11 C ATOM 699 NH1 ARG A 41 21.396 -17.747 -5.854 1.00 15.40 N ATOM 700 NH2 ARG A 41 23.567 -18.487 -5.826 1.00 43.12 N ATOM 0 H ARG A 41 18.872 -14.433 -8.641 1.00 42.51 H new ATOM 0 HA ARG A 41 20.875 -14.682 -10.595 1.00 24.35 H new ATOM 0 HB2 ARG A 41 18.935 -16.512 -9.198 1.00 40.11 H new ATOM 0 HB3 ARG A 41 19.821 -17.134 -10.576 1.00 40.11 H new ATOM 0 HG2 ARG A 41 21.946 -16.256 -9.362 1.00 21.23 H new ATOM 0 HG3 ARG A 41 20.923 -16.125 -7.945 1.00 21.23 H new ATOM 0 HD2 ARG A 41 20.339 -18.526 -8.121 1.00 52.24 H new ATOM 0 HD3 ARG A 41 21.309 -18.670 -9.574 1.00 52.24 H new ATOM 0 HE ARG A 41 23.239 -18.774 -8.275 1.00 60.34 H new ATOM 0 HH11 ARG A 41 20.539 -17.537 -6.366 1.00 15.40 H new ATOM 0 HH12 ARG A 41 21.437 -17.597 -4.846 1.00 15.40 H new ATOM 0 HH21 ARG A 41 24.385 -18.848 -6.317 1.00 43.12 H new ATOM 0 HH22 ARG A 41 23.604 -18.335 -4.818 1.00 43.12 H new ATOM 714 N TRP A 42 17.891 -15.557 -11.729 1.00 14.10 N ATOM 715 CA TRP A 42 17.079 -15.648 -12.939 1.00 22.01 C ATOM 716 C TRP A 42 16.091 -14.489 -13.019 1.00 72.41 C ATOM 717 O TRP A 42 15.639 -14.121 -14.103 1.00 64.22 O ATOM 718 CB TRP A 42 16.327 -16.979 -12.973 1.00 74.24 C ATOM 719 CG TRP A 42 17.226 -18.173 -12.867 1.00 40.03 C ATOM 720 CD1 TRP A 42 18.005 -18.702 -13.856 1.00 75.43 C ATOM 721 CD2 TRP A 42 17.438 -18.986 -11.709 1.00 23.43 C ATOM 722 NE1 TRP A 42 18.688 -19.796 -13.382 1.00 70.33 N ATOM 723 CE2 TRP A 42 18.359 -19.990 -12.067 1.00 75.21 C ATOM 724 CE3 TRP A 42 16.942 -18.963 -10.402 1.00 51.03 C ATOM 725 CZ2 TRP A 42 18.790 -20.960 -11.166 1.00 63.31 C ATOM 726 CZ3 TRP A 42 17.371 -19.926 -9.510 1.00 2.33 C ATOM 727 CH2 TRP A 42 18.287 -20.913 -9.894 1.00 73.51 C ATOM 0 H TRP A 42 17.445 -15.933 -10.892 1.00 14.10 H new ATOM 0 HA TRP A 42 17.745 -15.593 -13.800 1.00 22.01 H new ATOM 0 HB2 TRP A 42 15.607 -17.002 -12.155 1.00 74.24 H new ATOM 0 HB3 TRP A 42 15.758 -17.043 -13.901 1.00 74.24 H new ATOM 0 HD1 TRP A 42 18.074 -18.317 -14.863 1.00 75.43 H new ATOM 0 HE1 TRP A 42 19.335 -20.370 -13.922 1.00 70.33 H new ATOM 0 HE3 TRP A 42 16.236 -18.206 -10.095 1.00 51.03 H new ATOM 0 HZ2 TRP A 42 19.496 -21.722 -11.460 1.00 63.31 H new ATOM 0 HZ3 TRP A 42 16.993 -19.918 -8.498 1.00 2.33 H new ATOM 0 HH2 TRP A 42 18.603 -21.652 -9.172 1.00 73.51 H new ATOM 738 N GLY A 43 15.760 -13.917 -11.865 1.00 34.11 N ATOM 739 CA GLY A 43 14.827 -12.806 -11.830 1.00 30.14 C ATOM 740 C GLY A 43 13.411 -13.226 -12.171 1.00 23.23 C ATOM 741 O GLY A 43 12.605 -13.501 -11.282 1.00 4.13 O ATOM 0 H GLY A 43 16.121 -14.203 -10.955 1.00 34.11 H new ATOM 0 HA2 GLY A 43 14.840 -12.356 -10.837 1.00 30.14 H new ATOM 0 HA3 GLY A 43 15.154 -12.039 -12.532 1.00 30.14 H new ATOM 745 N LYS A 44 13.106 -13.275 -13.463 1.00 45.24 N ATOM 746 CA LYS A 44 11.777 -13.663 -13.922 1.00 23.44 C ATOM 747 C LYS A 44 11.349 -14.984 -13.291 1.00 61.20 C ATOM 748 O LYS A 44 10.165 -15.207 -13.039 1.00 3.12 O ATOM 749 CB LYS A 44 11.757 -13.784 -15.447 1.00 71.30 C ATOM 750 CG LYS A 44 12.932 -14.566 -16.012 1.00 3.23 C ATOM 751 CD LYS A 44 12.785 -14.790 -17.507 1.00 42.05 C ATOM 752 CE LYS A 44 12.036 -16.078 -17.808 1.00 3.24 C ATOM 753 NZ LYS A 44 12.900 -17.278 -17.627 1.00 43.21 N ATOM 0 H LYS A 44 13.761 -13.051 -14.212 1.00 45.24 H new ATOM 0 HA LYS A 44 11.073 -12.889 -13.616 1.00 23.44 H new ATOM 0 HB2 LYS A 44 10.829 -14.268 -15.752 1.00 71.30 H new ATOM 0 HB3 LYS A 44 11.754 -12.785 -15.882 1.00 71.30 H new ATOM 0 HG2 LYS A 44 13.858 -14.027 -15.813 1.00 3.23 H new ATOM 0 HG3 LYS A 44 13.008 -15.528 -15.505 1.00 3.23 H new ATOM 0 HD2 LYS A 44 12.255 -13.948 -17.951 1.00 42.05 H new ATOM 0 HD3 LYS A 44 13.772 -14.825 -17.969 1.00 42.05 H new ATOM 0 HE2 LYS A 44 11.167 -16.154 -17.154 1.00 3.24 H new ATOM 0 HE3 LYS A 44 11.663 -16.050 -18.832 1.00 3.24 H new ATOM 0 HZ1 LYS A 44 12.379 -18.128 -17.923 1.00 43.21 H new ATOM 0 HZ2 LYS A 44 13.758 -17.178 -18.206 1.00 43.21 H new ATOM 0 HZ3 LYS A 44 13.166 -17.366 -16.626 1.00 43.21 H new ATOM 767 N TYR A 45 12.319 -15.855 -13.038 1.00 34.23 N ATOM 768 CA TYR A 45 12.041 -17.155 -12.437 1.00 63.43 C ATOM 769 C TYR A 45 11.715 -17.011 -10.954 1.00 41.44 C ATOM 770 O TYR A 45 10.867 -17.727 -10.421 1.00 2.02 O ATOM 771 CB TYR A 45 13.238 -18.091 -12.620 1.00 1.33 C ATOM 772 CG TYR A 45 12.857 -19.552 -12.697 1.00 24.11 C ATOM 773 CD1 TYR A 45 12.406 -20.233 -11.574 1.00 50.11 C ATOM 774 CD2 TYR A 45 12.949 -20.251 -13.895 1.00 3.31 C ATOM 775 CE1 TYR A 45 12.058 -21.568 -11.640 1.00 71.21 C ATOM 776 CE2 TYR A 45 12.601 -21.585 -13.971 1.00 71.42 C ATOM 777 CZ TYR A 45 12.157 -22.241 -12.841 1.00 41.44 C ATOM 778 OH TYR A 45 11.810 -23.569 -12.912 1.00 33.33 O ATOM 0 H TYR A 45 13.304 -15.685 -13.239 1.00 34.23 H new ATOM 0 HA TYR A 45 11.174 -17.582 -12.941 1.00 63.43 H new ATOM 0 HB2 TYR A 45 13.769 -17.814 -13.531 1.00 1.33 H new ATOM 0 HB3 TYR A 45 13.931 -17.948 -11.791 1.00 1.33 H new ATOM 0 HD1 TYR A 45 12.326 -19.710 -10.633 1.00 50.11 H new ATOM 0 HD2 TYR A 45 13.299 -19.742 -14.781 1.00 3.31 H new ATOM 0 HE1 TYR A 45 11.710 -22.083 -10.756 1.00 71.21 H new ATOM 0 HE2 TYR A 45 12.676 -22.113 -14.910 1.00 71.42 H new ATOM 0 HH TYR A 45 11.937 -23.892 -13.829 1.00 33.33 H new ATOM 788 N ARG A 46 12.395 -16.080 -10.294 1.00 2.13 N ATOM 789 CA ARG A 46 12.180 -15.840 -8.871 1.00 14.41 C ATOM 790 C ARG A 46 10.756 -15.356 -8.611 1.00 35.12 C ATOM 791 O ARG A 46 10.174 -15.642 -7.564 1.00 64.13 O ATOM 792 CB ARG A 46 13.182 -14.812 -8.347 1.00 43.13 C ATOM 793 CG ARG A 46 13.093 -14.583 -6.848 1.00 23.03 C ATOM 794 CD ARG A 46 14.455 -14.262 -6.251 1.00 13.20 C ATOM 795 NE ARG A 46 14.362 -13.903 -4.839 1.00 20.55 N ATOM 796 CZ ARG A 46 15.332 -13.285 -4.172 1.00 14.14 C ATOM 797 NH1 ARG A 46 16.460 -12.960 -4.787 1.00 63.25 N ATOM 798 NH2 ARG A 46 15.174 -12.992 -2.888 1.00 10.14 N ATOM 0 H ARG A 46 13.100 -15.479 -10.721 1.00 2.13 H new ATOM 0 HA ARG A 46 12.328 -16.782 -8.343 1.00 14.41 H new ATOM 0 HB2 ARG A 46 14.191 -15.141 -8.596 1.00 43.13 H new ATOM 0 HB3 ARG A 46 13.020 -13.865 -8.861 1.00 43.13 H new ATOM 0 HG2 ARG A 46 12.403 -13.764 -6.644 1.00 23.03 H new ATOM 0 HG3 ARG A 46 12.684 -15.471 -6.367 1.00 23.03 H new ATOM 0 HD2 ARG A 46 15.112 -15.124 -6.363 1.00 13.20 H new ATOM 0 HD3 ARG A 46 14.909 -13.440 -6.805 1.00 13.20 H new ATOM 0 HE ARG A 46 13.506 -14.139 -4.337 1.00 20.55 H new ATOM 0 HH11 ARG A 46 16.585 -13.184 -5.774 1.00 63.25 H new ATOM 0 HH12 ARG A 46 17.203 -12.486 -4.273 1.00 63.25 H new ATOM 0 HH21 ARG A 46 14.307 -13.241 -2.411 1.00 10.14 H new ATOM 0 HH22 ARG A 46 15.919 -12.518 -2.378 1.00 10.14 H new ATOM 812 N ARG A 47 10.201 -14.624 -9.570 1.00 54.24 N ATOM 813 CA ARG A 47 8.846 -14.099 -9.445 1.00 20.21 C ATOM 814 C ARG A 47 7.836 -15.233 -9.291 1.00 41.04 C ATOM 815 O ARG A 47 6.803 -15.073 -8.642 1.00 1.03 O ATOM 816 CB ARG A 47 8.490 -13.248 -10.665 1.00 64.33 C ATOM 817 CG ARG A 47 8.853 -11.780 -10.509 1.00 2.40 C ATOM 818 CD ARG A 47 7.838 -11.044 -9.648 1.00 44.03 C ATOM 819 NE ARG A 47 8.217 -11.039 -8.238 1.00 35.32 N ATOM 820 CZ ARG A 47 7.585 -10.331 -7.309 1.00 33.14 C ATOM 821 NH1 ARG A 47 6.548 -9.575 -7.639 1.00 43.41 N ATOM 822 NH2 ARG A 47 7.990 -10.379 -6.047 1.00 22.44 N ATOM 0 H ARG A 47 10.668 -14.380 -10.443 1.00 54.24 H new ATOM 0 HA ARG A 47 8.807 -13.475 -8.552 1.00 20.21 H new ATOM 0 HB2 ARG A 47 9.002 -13.649 -11.540 1.00 64.33 H new ATOM 0 HB3 ARG A 47 7.420 -13.331 -10.856 1.00 64.33 H new ATOM 0 HG2 ARG A 47 9.843 -11.694 -10.060 1.00 2.40 H new ATOM 0 HG3 ARG A 47 8.907 -11.311 -11.491 1.00 2.40 H new ATOM 0 HD2 ARG A 47 7.740 -10.017 -10.001 1.00 44.03 H new ATOM 0 HD3 ARG A 47 6.861 -11.513 -9.759 1.00 44.03 H new ATOM 0 HE ARG A 47 9.011 -11.611 -7.951 1.00 35.32 H new ATOM 0 HH11 ARG A 47 6.233 -9.536 -8.608 1.00 43.41 H new ATOM 0 HH12 ARG A 47 6.064 -9.032 -6.924 1.00 43.41 H new ATOM 0 HH21 ARG A 47 8.788 -10.960 -5.789 1.00 22.44 H new ATOM 0 HH22 ARG A 47 7.504 -9.835 -5.334 1.00 22.44 H new ATOM 836 N MET A 48 8.143 -16.377 -9.892 1.00 54.04 N ATOM 837 CA MET A 48 7.262 -17.538 -9.822 1.00 3.11 C ATOM 838 C MET A 48 7.734 -18.513 -8.747 1.00 54.24 C ATOM 839 O MET A 48 6.929 -19.230 -8.150 1.00 70.14 O ATOM 840 CB MET A 48 7.203 -18.244 -11.178 1.00 44.32 C ATOM 841 CG MET A 48 6.261 -17.579 -12.168 1.00 43.41 C ATOM 842 SD MET A 48 4.530 -17.729 -11.688 1.00 40.41 S ATOM 843 CE MET A 48 4.214 -16.088 -11.040 1.00 72.24 C ATOM 0 H MET A 48 8.995 -16.526 -10.433 1.00 54.04 H new ATOM 0 HA MET A 48 6.263 -17.190 -9.559 1.00 3.11 H new ATOM 0 HB2 MET A 48 8.205 -18.275 -11.606 1.00 44.32 H new ATOM 0 HB3 MET A 48 6.889 -19.277 -11.027 1.00 44.32 H new ATOM 0 HG2 MET A 48 6.519 -16.524 -12.257 1.00 43.41 H new ATOM 0 HG3 MET A 48 6.401 -18.025 -13.153 1.00 43.41 H new ATOM 0 HE1 MET A 48 3.621 -16.165 -10.129 1.00 72.24 H new ATOM 0 HE2 MET A 48 5.161 -15.597 -10.816 1.00 72.24 H new ATOM 0 HE3 MET A 48 3.668 -15.503 -11.780 1.00 72.24 H new ATOM 853 N LEU A 49 9.040 -18.535 -8.507 1.00 54.34 N ATOM 854 CA LEU A 49 9.619 -19.423 -7.505 1.00 53.53 C ATOM 855 C LEU A 49 8.948 -19.223 -6.149 1.00 32.20 C ATOM 856 O LEU A 49 8.835 -20.159 -5.357 1.00 51.03 O ATOM 857 CB LEU A 49 11.123 -19.177 -7.385 1.00 23.24 C ATOM 858 CG LEU A 49 11.980 -20.402 -7.061 1.00 53.43 C ATOM 859 CD1 LEU A 49 11.610 -20.966 -5.698 1.00 32.20 C ATOM 860 CD2 LEU A 49 11.823 -21.463 -8.140 1.00 12.20 C ATOM 0 H LEU A 49 9.718 -17.948 -8.993 1.00 54.34 H new ATOM 0 HA LEU A 49 9.451 -20.451 -7.825 1.00 53.53 H new ATOM 0 HB2 LEU A 49 11.477 -18.749 -8.323 1.00 23.24 H new ATOM 0 HB3 LEU A 49 11.288 -18.428 -6.610 1.00 23.24 H new ATOM 0 HG LEU A 49 13.025 -20.094 -7.032 1.00 53.43 H new ATOM 0 HD11 LEU A 49 12.230 -21.837 -5.484 1.00 32.20 H new ATOM 0 HD12 LEU A 49 11.775 -20.207 -4.933 1.00 32.20 H new ATOM 0 HD13 LEU A 49 10.560 -21.259 -5.698 1.00 32.20 H new ATOM 0 HD21 LEU A 49 12.440 -22.327 -7.893 1.00 12.20 H new ATOM 0 HD22 LEU A 49 10.778 -21.768 -8.201 1.00 12.20 H new ATOM 0 HD23 LEU A 49 12.138 -21.055 -9.100 1.00 12.20 H new ATOM 872 N LYS A 50 8.505 -17.999 -5.890 1.00 12.32 N ATOM 873 CA LYS A 50 7.841 -17.675 -4.631 1.00 62.45 C ATOM 874 C LYS A 50 6.523 -18.430 -4.501 1.00 74.24 C ATOM 875 O LYS A 50 5.998 -18.955 -5.483 1.00 15.35 O ATOM 876 CB LYS A 50 7.590 -16.169 -4.536 1.00 60.32 C ATOM 877 CG LYS A 50 6.950 -15.579 -5.780 1.00 34.12 C ATOM 878 CD LYS A 50 5.582 -14.990 -5.478 1.00 2.25 C ATOM 879 CE LYS A 50 5.698 -13.653 -4.762 1.00 11.03 C ATOM 880 NZ LYS A 50 4.549 -12.757 -5.073 1.00 25.24 N ATOM 0 H LYS A 50 8.593 -17.213 -6.534 1.00 12.32 H new ATOM 0 HA LYS A 50 8.496 -17.980 -3.815 1.00 62.45 H new ATOM 0 HB2 LYS A 50 6.948 -15.970 -3.678 1.00 60.32 H new ATOM 0 HB3 LYS A 50 8.537 -15.662 -4.350 1.00 60.32 H new ATOM 0 HG2 LYS A 50 7.598 -14.805 -6.191 1.00 34.12 H new ATOM 0 HG3 LYS A 50 6.854 -16.352 -6.542 1.00 34.12 H new ATOM 0 HD2 LYS A 50 5.027 -14.860 -6.407 1.00 2.25 H new ATOM 0 HD3 LYS A 50 5.013 -15.686 -4.862 1.00 2.25 H new ATOM 0 HE2 LYS A 50 5.748 -13.820 -3.686 1.00 11.03 H new ATOM 0 HE3 LYS A 50 6.628 -13.165 -5.052 1.00 11.03 H new ATOM 0 HZ1 LYS A 50 4.664 -11.856 -4.567 1.00 25.24 H new ATOM 0 HZ2 LYS A 50 4.516 -12.577 -6.097 1.00 25.24 H new ATOM 0 HZ3 LYS A 50 3.663 -13.212 -4.773 1.00 25.24 H new ATOM 894 N ARG A 51 5.993 -18.480 -3.284 1.00 11.45 N ATOM 895 CA ARG A 51 4.734 -19.171 -3.026 1.00 64.11 C ATOM 896 C ARG A 51 3.619 -18.615 -3.906 1.00 21.45 C ATOM 897 O ARG A 51 3.776 -17.572 -4.539 1.00 52.03 O ATOM 898 CB ARG A 51 4.349 -19.039 -1.551 1.00 23.41 C ATOM 899 CG ARG A 51 4.937 -20.128 -0.668 1.00 73.24 C ATOM 900 CD ARG A 51 4.690 -19.845 0.805 1.00 13.43 C ATOM 901 NE ARG A 51 5.440 -20.751 1.670 1.00 23.11 N ATOM 902 CZ ARG A 51 5.281 -20.809 2.987 1.00 62.31 C ATOM 903 NH1 ARG A 51 4.403 -20.018 3.589 1.00 70.43 N ATOM 904 NH2 ARG A 51 6.002 -21.660 3.707 1.00 50.44 N ATOM 0 H ARG A 51 6.415 -18.051 -2.461 1.00 11.45 H new ATOM 0 HA ARG A 51 4.871 -20.225 -3.266 1.00 64.11 H new ATOM 0 HB2 ARG A 51 4.679 -18.067 -1.184 1.00 23.41 H new ATOM 0 HB3 ARG A 51 3.263 -19.060 -1.465 1.00 23.41 H new ATOM 0 HG2 ARG A 51 4.498 -21.090 -0.933 1.00 73.24 H new ATOM 0 HG3 ARG A 51 6.009 -20.206 -0.850 1.00 73.24 H new ATOM 0 HD2 ARG A 51 4.971 -18.816 1.028 1.00 13.43 H new ATOM 0 HD3 ARG A 51 3.625 -19.939 1.018 1.00 13.43 H new ATOM 0 HE ARG A 51 6.124 -21.373 1.239 1.00 23.11 H new ATOM 0 HH11 ARG A 51 3.847 -19.362 3.040 1.00 70.43 H new ATOM 0 HH12 ARG A 51 4.284 -20.065 4.601 1.00 70.43 H new ATOM 0 HH21 ARG A 51 6.679 -22.270 3.249 1.00 50.44 H new ATOM 0 HH22 ARG A 51 5.879 -21.704 4.719 1.00 50.44 H new ATOM 918 N ALA A 52 2.492 -19.320 -3.940 1.00 64.11 N ATOM 919 CA ALA A 52 1.350 -18.896 -4.740 1.00 72.34 C ATOM 920 C ALA A 52 0.051 -19.476 -4.193 1.00 54.22 C ATOM 921 O ALA A 52 -0.256 -20.650 -4.409 1.00 11.55 O ATOM 922 CB ALA A 52 1.543 -19.307 -6.193 1.00 24.50 C ATOM 0 H ALA A 52 2.346 -20.187 -3.423 1.00 64.11 H new ATOM 0 HA ALA A 52 1.283 -17.809 -4.686 1.00 72.34 H new ATOM 0 HB1 ALA A 52 0.683 -18.984 -6.780 1.00 24.50 H new ATOM 0 HB2 ALA A 52 2.446 -18.840 -6.586 1.00 24.50 H new ATOM 0 HB3 ALA A 52 1.638 -20.391 -6.255 1.00 24.50 H new ATOM 928 N LEU A 53 -0.708 -18.649 -3.484 1.00 2.34 N ATOM 929 CA LEU A 53 -1.976 -19.080 -2.904 1.00 65.00 C ATOM 930 C LEU A 53 -3.043 -18.001 -3.065 1.00 33.31 C ATOM 931 O LEU A 53 -2.782 -16.818 -2.850 1.00 5.20 O ATOM 932 CB LEU A 53 -1.794 -19.417 -1.424 1.00 25.44 C ATOM 933 CG LEU A 53 -2.500 -20.680 -0.931 1.00 31.35 C ATOM 934 CD1 LEU A 53 -1.835 -21.922 -1.505 1.00 12.04 C ATOM 935 CD2 LEU A 53 -2.504 -20.731 0.590 1.00 61.01 C ATOM 0 H LEU A 53 -0.468 -17.676 -3.296 1.00 2.34 H new ATOM 0 HA LEU A 53 -2.306 -19.973 -3.435 1.00 65.00 H new ATOM 0 HB2 LEU A 53 -0.727 -19.520 -1.224 1.00 25.44 H new ATOM 0 HB3 LEU A 53 -2.149 -18.572 -0.833 1.00 25.44 H new ATOM 0 HG LEU A 53 -3.533 -20.653 -1.276 1.00 31.35 H new ATOM 0 HD11 LEU A 53 -2.351 -22.811 -1.143 1.00 12.04 H new ATOM 0 HD12 LEU A 53 -1.885 -21.891 -2.593 1.00 12.04 H new ATOM 0 HD13 LEU A 53 -0.792 -21.955 -1.190 1.00 12.04 H new ATOM 0 HD21 LEU A 53 -3.011 -21.637 0.922 1.00 61.01 H new ATOM 0 HD22 LEU A 53 -1.478 -20.734 0.957 1.00 61.01 H new ATOM 0 HD23 LEU A 53 -3.027 -19.858 0.982 1.00 61.01 H new ATOM 947 N LYS A 54 -4.246 -18.419 -3.442 1.00 10.12 N ATOM 948 CA LYS A 54 -5.355 -17.491 -3.627 1.00 41.34 C ATOM 949 C LYS A 54 -5.596 -16.671 -2.364 1.00 70.51 C ATOM 950 O LYS A 54 -5.858 -17.222 -1.296 1.00 30.42 O ATOM 951 CB LYS A 54 -6.628 -18.253 -4.004 1.00 74.52 C ATOM 952 CG LYS A 54 -6.901 -19.456 -3.118 1.00 23.33 C ATOM 953 CD LYS A 54 -8.263 -20.064 -3.407 1.00 62.11 C ATOM 954 CE LYS A 54 -8.209 -21.016 -4.591 1.00 74.42 C ATOM 955 NZ LYS A 54 -9.516 -21.691 -4.821 1.00 31.02 N ATOM 0 H LYS A 54 -4.478 -19.395 -3.626 1.00 10.12 H new ATOM 0 HA LYS A 54 -5.094 -16.810 -4.437 1.00 41.34 H new ATOM 0 HB2 LYS A 54 -7.478 -17.573 -3.951 1.00 74.52 H new ATOM 0 HB3 LYS A 54 -6.550 -18.585 -5.039 1.00 74.52 H new ATOM 0 HG2 LYS A 54 -6.126 -20.207 -3.273 1.00 23.33 H new ATOM 0 HG3 LYS A 54 -6.850 -19.157 -2.071 1.00 23.33 H new ATOM 0 HD2 LYS A 54 -8.619 -20.598 -2.526 1.00 62.11 H new ATOM 0 HD3 LYS A 54 -8.981 -19.270 -3.610 1.00 62.11 H new ATOM 0 HE2 LYS A 54 -7.922 -20.465 -5.487 1.00 74.42 H new ATOM 0 HE3 LYS A 54 -7.438 -21.767 -4.418 1.00 74.42 H new ATOM 0 HZ1 LYS A 54 -9.437 -22.331 -5.637 1.00 31.02 H new ATOM 0 HZ2 LYS A 54 -9.778 -22.237 -3.976 1.00 31.02 H new ATOM 0 HZ3 LYS A 54 -10.247 -20.976 -5.011 1.00 31.02 H new ATOM 969 N ASN A 55 -5.507 -15.351 -2.495 1.00 12.43 N ATOM 970 CA ASN A 55 -5.717 -14.456 -1.363 1.00 61.33 C ATOM 971 C ASN A 55 -6.698 -13.344 -1.723 1.00 34.41 C ATOM 972 O ASN A 55 -6.420 -12.512 -2.587 1.00 53.30 O ATOM 973 CB ASN A 55 -4.386 -13.851 -0.911 1.00 50.45 C ATOM 974 CG ASN A 55 -4.575 -12.633 -0.028 1.00 62.32 C ATOM 975 OD1 ASN A 55 -4.714 -12.751 1.190 1.00 53.20 O ATOM 976 ND2 ASN A 55 -4.581 -11.454 -0.639 1.00 64.44 N ATOM 0 H ASN A 55 -5.291 -14.878 -3.373 1.00 12.43 H new ATOM 0 HA ASN A 55 -6.140 -15.039 -0.545 1.00 61.33 H new ATOM 0 HB2 ASN A 55 -3.813 -14.604 -0.369 1.00 50.45 H new ATOM 0 HB3 ASN A 55 -3.800 -13.574 -1.787 1.00 50.45 H new ATOM 0 HD21 ASN A 55 -4.704 -10.599 -0.097 1.00 64.44 H new ATOM 0 HD22 ASN A 55 -4.462 -11.403 -1.651 1.00 64.44 H new ATOM 983 N LYS A 56 -7.846 -13.336 -1.054 1.00 73.00 N ATOM 984 CA LYS A 56 -8.868 -12.327 -1.301 1.00 54.52 C ATOM 985 C LYS A 56 -8.385 -10.946 -0.871 1.00 55.23 C ATOM 986 O LYS A 56 -7.324 -10.811 -0.265 1.00 21.43 O ATOM 987 CB LYS A 56 -10.157 -12.683 -0.555 1.00 24.24 C ATOM 988 CG LYS A 56 -11.251 -13.227 -1.456 1.00 1.42 C ATOM 989 CD LYS A 56 -11.876 -12.128 -2.299 1.00 74.32 C ATOM 990 CE LYS A 56 -12.922 -11.350 -1.517 1.00 14.04 C ATOM 991 NZ LYS A 56 -14.071 -12.210 -1.119 1.00 71.15 N ATOM 0 H LYS A 56 -8.092 -14.018 -0.336 1.00 73.00 H new ATOM 0 HA LYS A 56 -9.069 -12.305 -2.372 1.00 54.52 H new ATOM 0 HB2 LYS A 56 -9.930 -13.422 0.213 1.00 24.24 H new ATOM 0 HB3 LYS A 56 -10.528 -11.795 -0.043 1.00 24.24 H new ATOM 0 HG2 LYS A 56 -10.838 -13.997 -2.108 1.00 1.42 H new ATOM 0 HG3 LYS A 56 -12.021 -13.703 -0.849 1.00 1.42 H new ATOM 0 HD2 LYS A 56 -11.098 -11.447 -2.645 1.00 74.32 H new ATOM 0 HD3 LYS A 56 -12.334 -12.565 -3.186 1.00 74.32 H new ATOM 0 HE2 LYS A 56 -12.464 -10.921 -0.626 1.00 14.04 H new ATOM 0 HE3 LYS A 56 -13.283 -10.518 -2.122 1.00 14.04 H new ATOM 0 HZ1 LYS A 56 -14.916 -11.619 -0.983 1.00 71.15 H new ATOM 0 HZ2 LYS A 56 -14.255 -12.911 -1.865 1.00 71.15 H new ATOM 0 HZ3 LYS A 56 -13.845 -12.701 -0.231 1.00 71.15 H new ATOM 1005 N ASN A 57 -9.171 -9.923 -1.189 1.00 15.45 N ATOM 1006 CA ASN A 57 -8.823 -8.552 -0.834 1.00 54.45 C ATOM 1007 C ASN A 57 -8.606 -8.417 0.669 1.00 72.53 C ATOM 1008 O ASN A 57 -9.560 -8.385 1.446 1.00 51.43 O ATOM 1009 CB ASN A 57 -9.923 -7.590 -1.290 1.00 71.32 C ATOM 1010 CG ASN A 57 -10.282 -7.773 -2.752 1.00 73.13 C ATOM 1011 OD1 ASN A 57 -9.447 -7.581 -3.636 1.00 70.44 O ATOM 1012 ND2 ASN A 57 -11.529 -8.145 -3.013 1.00 11.31 N ATOM 0 H ASN A 57 -10.053 -10.017 -1.692 1.00 15.45 H new ATOM 0 HA ASN A 57 -7.893 -8.297 -1.342 1.00 54.45 H new ATOM 0 HB2 ASN A 57 -10.812 -7.743 -0.678 1.00 71.32 H new ATOM 0 HB3 ASN A 57 -9.596 -6.564 -1.125 1.00 71.32 H new ATOM 0 HD21 ASN A 57 -11.829 -8.283 -3.978 1.00 11.31 H new ATOM 0 HD22 ASN A 57 -12.188 -8.293 -2.248 1.00 11.31 H new ATOM 1019 N LYS A 58 -7.342 -8.340 1.074 1.00 5.51 N ATOM 1020 CA LYS A 58 -6.997 -8.205 2.484 1.00 32.45 C ATOM 1021 C LYS A 58 -5.937 -7.127 2.685 1.00 34.14 C ATOM 1022 O LYS A 58 -4.882 -7.154 2.052 1.00 50.33 O ATOM 1023 CB LYS A 58 -6.491 -9.541 3.035 1.00 52.31 C ATOM 1024 CG LYS A 58 -6.614 -9.663 4.543 1.00 1.14 C ATOM 1025 CD LYS A 58 -5.372 -9.145 5.248 1.00 42.01 C ATOM 1026 CE LYS A 58 -4.337 -10.245 5.433 1.00 43.34 C ATOM 1027 NZ LYS A 58 -3.093 -9.733 6.073 1.00 73.12 N ATOM 0 H LYS A 58 -6.540 -8.369 0.445 1.00 5.51 H new ATOM 0 HA LYS A 58 -7.896 -7.911 3.026 1.00 32.45 H new ATOM 0 HB2 LYS A 58 -7.049 -10.352 2.567 1.00 52.31 H new ATOM 0 HB3 LYS A 58 -5.446 -9.668 2.753 1.00 52.31 H new ATOM 0 HG2 LYS A 58 -7.486 -9.105 4.884 1.00 1.14 H new ATOM 0 HG3 LYS A 58 -6.778 -10.706 4.812 1.00 1.14 H new ATOM 0 HD2 LYS A 58 -4.938 -8.329 4.670 1.00 42.01 H new ATOM 0 HD3 LYS A 58 -5.648 -8.736 6.220 1.00 42.01 H new ATOM 0 HE2 LYS A 58 -4.759 -11.042 6.045 1.00 43.34 H new ATOM 0 HE3 LYS A 58 -4.094 -10.682 4.464 1.00 43.34 H new ATOM 0 HZ1 LYS A 58 -2.413 -10.512 6.182 1.00 73.12 H new ATOM 0 HZ2 LYS A 58 -2.676 -8.990 5.476 1.00 73.12 H new ATOM 0 HZ3 LYS A 58 -3.321 -9.339 7.008 1.00 73.12 H new ATOM 1041 N ALA A 59 -6.225 -6.179 3.571 1.00 30.21 N ATOM 1042 CA ALA A 59 -5.296 -5.094 3.859 1.00 62.32 C ATOM 1043 C ALA A 59 -4.761 -5.191 5.283 1.00 31.11 C ATOM 1044 O ALA A 59 -5.531 -5.296 6.238 1.00 71.02 O ATOM 1045 CB ALA A 59 -5.970 -3.749 3.636 1.00 40.31 C ATOM 0 H ALA A 59 -7.095 -6.141 4.102 1.00 30.21 H new ATOM 0 HA ALA A 59 -4.451 -5.182 3.176 1.00 62.32 H new ATOM 0 HB1 ALA A 59 -5.264 -2.948 3.855 1.00 40.31 H new ATOM 0 HB2 ALA A 59 -6.295 -3.673 2.598 1.00 40.31 H new ATOM 0 HB3 ALA A 59 -6.834 -3.661 4.295 1.00 40.31 H new ATOM 1051 N GLU A 60 -3.440 -5.156 5.418 1.00 22.43 N ATOM 1052 CA GLU A 60 -2.804 -5.242 6.728 1.00 25.22 C ATOM 1053 C GLU A 60 -3.367 -4.186 7.677 1.00 34.12 C ATOM 1054 O GLU A 60 -3.473 -4.415 8.881 1.00 44.24 O ATOM 1055 CB GLU A 60 -1.289 -5.068 6.598 1.00 53.24 C ATOM 1056 CG GLU A 60 -0.877 -3.719 6.033 1.00 51.34 C ATOM 1057 CD GLU A 60 -0.804 -2.639 7.095 1.00 12.14 C ATOM 1058 OE1 GLU A 60 0.200 -2.605 7.838 1.00 55.22 O ATOM 1059 OE2 GLU A 60 -1.750 -1.829 7.186 1.00 34.22 O ATOM 0 H GLU A 60 -2.789 -5.069 4.638 1.00 22.43 H new ATOM 0 HA GLU A 60 -3.016 -6.228 7.141 1.00 25.22 H new ATOM 0 HB2 GLU A 60 -0.832 -5.196 7.579 1.00 53.24 H new ATOM 0 HB3 GLU A 60 -0.895 -5.857 5.957 1.00 53.24 H new ATOM 0 HG2 GLU A 60 0.095 -3.814 5.549 1.00 51.34 H new ATOM 0 HG3 GLU A 60 -1.588 -3.419 5.263 1.00 51.34 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.133 12.978 -4.661 1.00 23.33 ZN