USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 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 Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0004) USER MOD Single : A 1 MET CE :methyl 163:sc= 0 (180deg=-0.442) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 152:sc= -2.37 (180deg=-3.62!) USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= -0.36 (180deg=-3.96!) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.567 (180deg=-2.45!) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.548 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0407) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.81 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 37:sc= 0.52 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -124:sc= -0.501 (180deg=-5.4!) 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 X(o=0,f=-0.068) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0148 (180deg=-0.179) USER MOD Single : A 57 ASN : amide:sc= -0.343 K(o=-0.34,f=1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 24.540 2.492 -0.886 1.00 33.14 N ATOM 2 CA GLY A -2 23.696 2.001 -1.959 1.00 21.12 C ATOM 3 C GLY A -2 22.476 1.261 -1.446 1.00 62.14 C ATOM 4 O GLY A -2 22.602 0.260 -0.739 1.00 11.43 O ATOM 0 H1 GLY A -2 25.359 2.990 -1.289 1.00 33.14 H new ATOM 0 H2 GLY A -2 23.996 3.147 -0.289 1.00 33.14 H new ATOM 0 H3 GLY A -2 24.870 1.691 -0.310 1.00 33.14 H new ATOM 0 HA2 GLY A -2 23.375 2.839 -2.577 1.00 21.12 H new ATOM 0 HA3 GLY A -2 24.277 1.337 -2.599 1.00 21.12 H new ATOM 8 N SER A -1 21.294 1.754 -1.798 1.00 71.01 N ATOM 9 CA SER A -1 20.047 1.136 -1.363 1.00 14.30 C ATOM 10 C SER A -1 19.649 0.000 -2.299 1.00 20.02 C ATOM 11 O SER A -1 19.857 0.075 -3.511 1.00 51.44 O ATOM 12 CB SER A -1 18.930 2.179 -1.304 1.00 21.04 C ATOM 13 OG SER A -1 18.936 2.864 -0.063 1.00 63.40 O ATOM 0 H SER A -1 21.173 2.580 -2.384 1.00 71.01 H new ATOM 0 HA SER A -1 20.202 0.724 -0.366 1.00 14.30 H new ATOM 0 HB2 SER A -1 19.052 2.894 -2.118 1.00 21.04 H new ATOM 0 HB3 SER A -1 17.966 1.692 -1.449 1.00 21.04 H new ATOM 0 HG SER A -1 18.214 3.526 -0.051 1.00 63.40 H new ATOM 19 N HIS A 0 19.072 -1.054 -1.730 1.00 50.04 N ATOM 20 CA HIS A 0 18.643 -2.208 -2.513 1.00 41.33 C ATOM 21 C HIS A 0 17.201 -2.581 -2.183 1.00 64.31 C ATOM 22 O HIS A 0 16.625 -2.081 -1.217 1.00 32.02 O ATOM 23 CB HIS A 0 19.564 -3.400 -2.251 1.00 51.12 C ATOM 24 CG HIS A 0 21.012 -3.103 -2.494 1.00 12.40 C ATOM 25 ND1 HIS A 0 21.997 -3.349 -1.561 1.00 53.14 N ATOM 26 CD2 HIS A 0 21.639 -2.578 -3.573 1.00 63.23 C ATOM 27 CE1 HIS A 0 23.168 -2.987 -2.055 1.00 32.02 C ATOM 28 NE2 HIS A 0 22.978 -2.516 -3.275 1.00 71.42 N ATOM 0 H HIS A 0 18.891 -1.133 -0.729 1.00 50.04 H new ATOM 0 HA HIS A 0 18.699 -1.942 -3.569 1.00 41.33 H new ATOM 0 HB2 HIS A 0 19.437 -3.727 -1.219 1.00 51.12 H new ATOM 0 HB3 HIS A 0 19.260 -4.230 -2.888 1.00 51.12 H new ATOM 0 HD2 HIS A 0 21.173 -2.266 -4.496 1.00 63.23 H new ATOM 0 HE1 HIS A 0 24.119 -3.063 -1.548 1.00 32.02 H new ATOM 0 HE2 HIS A 0 23.708 -2.164 -3.895 1.00 71.42 H new ATOM 36 N MET A 1 16.624 -3.464 -2.992 1.00 51.34 N ATOM 37 CA MET A 1 15.249 -3.905 -2.786 1.00 40.14 C ATOM 38 C MET A 1 15.064 -4.467 -1.379 1.00 33.33 C ATOM 39 O MET A 1 15.957 -5.120 -0.838 1.00 13.02 O ATOM 40 CB MET A 1 14.869 -4.962 -3.824 1.00 63.52 C ATOM 41 CG MET A 1 15.511 -6.317 -3.575 1.00 21.11 C ATOM 42 SD MET A 1 15.704 -7.282 -5.085 1.00 35.53 S ATOM 43 CE MET A 1 14.438 -8.528 -4.856 1.00 34.40 C ATOM 0 H MET A 1 17.087 -3.888 -3.796 1.00 51.34 H new ATOM 0 HA MET A 1 14.595 -3.041 -2.902 1.00 40.14 H new ATOM 0 HB2 MET A 1 13.785 -5.079 -3.832 1.00 63.52 H new ATOM 0 HB3 MET A 1 15.159 -4.608 -4.813 1.00 63.52 H new ATOM 0 HG2 MET A 1 16.488 -6.173 -3.113 1.00 21.11 H new ATOM 0 HG3 MET A 1 14.903 -6.878 -2.865 1.00 21.11 H new ATOM 0 HE1 MET A 1 14.223 -9.008 -5.811 1.00 34.40 H new ATOM 0 HE2 MET A 1 14.788 -9.276 -4.145 1.00 34.40 H new ATOM 0 HE3 MET A 1 13.531 -8.059 -4.473 1.00 34.40 H new ATOM 53 N VAL A 2 13.900 -4.209 -0.792 1.00 60.32 N ATOM 54 CA VAL A 2 13.598 -4.689 0.550 1.00 61.34 C ATOM 55 C VAL A 2 12.099 -4.899 0.735 1.00 40.25 C ATOM 56 O VAL A 2 11.292 -4.061 0.334 1.00 44.33 O ATOM 57 CB VAL A 2 14.105 -3.709 1.625 1.00 1.13 C ATOM 58 CG1 VAL A 2 13.510 -2.326 1.409 1.00 45.20 C ATOM 59 CG2 VAL A 2 13.777 -4.229 3.017 1.00 2.55 C ATOM 0 H VAL A 2 13.150 -3.670 -1.226 1.00 60.32 H new ATOM 0 HA VAL A 2 14.112 -5.643 0.667 1.00 61.34 H new ATOM 0 HB VAL A 2 15.189 -3.630 1.538 1.00 1.13 H new ATOM 0 HG11 VAL A 2 13.879 -1.647 2.178 1.00 45.20 H new ATOM 0 HG12 VAL A 2 13.801 -1.954 0.426 1.00 45.20 H new ATOM 0 HG13 VAL A 2 12.423 -2.384 1.468 1.00 45.20 H new ATOM 0 HG21 VAL A 2 14.142 -3.524 3.764 1.00 2.55 H new ATOM 0 HG22 VAL A 2 12.697 -4.339 3.119 1.00 2.55 H new ATOM 0 HG23 VAL A 2 14.256 -5.197 3.166 1.00 2.55 H new ATOM 69 N GLU A 3 11.734 -6.023 1.344 1.00 44.55 N ATOM 70 CA GLU A 3 10.332 -6.342 1.582 1.00 3.25 C ATOM 71 C GLU A 3 9.825 -5.659 2.850 1.00 52.10 C ATOM 72 O GLU A 3 10.241 -5.999 3.957 1.00 45.43 O ATOM 73 CB GLU A 3 10.142 -7.855 1.694 1.00 31.44 C ATOM 74 CG GLU A 3 8.700 -8.273 1.932 1.00 0.52 C ATOM 75 CD GLU A 3 8.570 -9.736 2.305 1.00 61.11 C ATOM 76 OE1 GLU A 3 9.328 -10.194 3.185 1.00 35.33 O ATOM 77 OE2 GLU A 3 7.708 -10.423 1.716 1.00 72.23 O ATOM 0 H GLU A 3 12.390 -6.727 1.681 1.00 44.55 H new ATOM 0 HA GLU A 3 9.754 -5.972 0.735 1.00 3.25 H new ATOM 0 HB2 GLU A 3 10.502 -8.326 0.779 1.00 31.44 H new ATOM 0 HB3 GLU A 3 10.759 -8.231 2.510 1.00 31.44 H new ATOM 0 HG2 GLU A 3 8.275 -7.660 2.727 1.00 0.52 H new ATOM 0 HG3 GLU A 3 8.116 -8.078 1.032 1.00 0.52 H new ATOM 84 N MET A 4 8.926 -4.696 2.679 1.00 34.31 N ATOM 85 CA MET A 4 8.363 -3.967 3.809 1.00 2.04 C ATOM 86 C MET A 4 7.051 -3.293 3.421 1.00 0.23 C ATOM 87 O MET A 4 6.782 -3.070 2.240 1.00 44.31 O ATOM 88 CB MET A 4 9.358 -2.921 4.315 1.00 2.05 C ATOM 89 CG MET A 4 9.557 -2.951 5.821 1.00 72.14 C ATOM 90 SD MET A 4 8.642 -1.650 6.670 1.00 53.42 S ATOM 91 CE MET A 4 9.979 -0.568 7.172 1.00 74.31 C ATOM 0 H MET A 4 8.572 -4.402 1.769 1.00 34.31 H new ATOM 0 HA MET A 4 8.162 -4.682 4.607 1.00 2.04 H new ATOM 0 HB2 MET A 4 10.319 -3.080 3.826 1.00 2.05 H new ATOM 0 HB3 MET A 4 9.011 -1.930 4.022 1.00 2.05 H new ATOM 0 HG2 MET A 4 9.242 -3.921 6.206 1.00 72.14 H new ATOM 0 HG3 MET A 4 10.619 -2.848 6.045 1.00 72.14 H new ATOM 0 HE1 MET A 4 9.572 0.287 7.711 1.00 74.31 H new ATOM 0 HE2 MET A 4 10.664 -1.113 7.821 1.00 74.31 H new ATOM 0 HE3 MET A 4 10.515 -0.219 6.290 1.00 74.31 H new ATOM 101 N ARG A 5 6.237 -2.970 4.421 1.00 52.11 N ATOM 102 CA ARG A 5 4.953 -2.322 4.184 1.00 31.14 C ATOM 103 C ARG A 5 5.148 -0.932 3.586 1.00 41.21 C ATOM 104 O ARG A 5 4.210 -0.336 3.058 1.00 15.23 O ATOM 105 CB ARG A 5 4.159 -2.222 5.488 1.00 72.32 C ATOM 106 CG ARG A 5 4.939 -1.586 6.627 1.00 4.23 C ATOM 107 CD ARG A 5 4.046 -0.706 7.490 1.00 15.34 C ATOM 108 NE ARG A 5 4.384 -0.806 8.907 1.00 11.52 N ATOM 109 CZ ARG A 5 3.550 -0.474 9.885 1.00 42.05 C ATOM 110 NH1 ARG A 5 2.336 -0.023 9.603 1.00 33.12 N ATOM 111 NH2 ARG A 5 3.931 -0.592 11.151 1.00 23.41 N ATOM 0 H ARG A 5 6.445 -3.147 5.404 1.00 52.11 H new ATOM 0 HA ARG A 5 4.394 -2.929 3.473 1.00 31.14 H new ATOM 0 HB2 ARG A 5 3.254 -1.641 5.309 1.00 72.32 H new ATOM 0 HB3 ARG A 5 3.842 -3.221 5.789 1.00 72.32 H new ATOM 0 HG2 ARG A 5 5.388 -2.366 7.242 1.00 4.23 H new ATOM 0 HG3 ARG A 5 5.757 -0.990 6.222 1.00 4.23 H new ATOM 0 HD2 ARG A 5 4.139 0.331 7.168 1.00 15.34 H new ATOM 0 HD3 ARG A 5 3.005 -0.993 7.345 1.00 15.34 H new ATOM 0 HE ARG A 5 5.311 -1.149 9.159 1.00 11.52 H new ATOM 0 HH11 ARG A 5 2.039 0.070 8.632 1.00 33.12 H new ATOM 0 HH12 ARG A 5 1.698 0.231 10.357 1.00 33.12 H new ATOM 0 HH21 ARG A 5 4.865 -0.938 11.372 1.00 23.41 H new ATOM 0 HH22 ARG A 5 3.290 -0.337 11.902 1.00 23.41 H new ATOM 125 N MET A 6 6.372 -0.422 3.674 1.00 51.22 N ATOM 126 CA MET A 6 6.689 0.898 3.141 1.00 52.33 C ATOM 127 C MET A 6 6.228 1.025 1.693 1.00 4.01 C ATOM 128 O MET A 6 6.378 0.097 0.899 1.00 31.03 O ATOM 129 CB MET A 6 8.193 1.161 3.234 1.00 51.30 C ATOM 130 CG MET A 6 8.556 2.637 3.187 1.00 60.42 C ATOM 131 SD MET A 6 10.104 2.999 4.039 1.00 62.12 S ATOM 132 CE MET A 6 9.763 4.636 4.679 1.00 11.25 C ATOM 0 H MET A 6 7.160 -0.902 4.109 1.00 51.22 H new ATOM 0 HA MET A 6 6.160 1.640 3.739 1.00 52.33 H new ATOM 0 HB2 MET A 6 8.572 0.731 4.161 1.00 51.30 H new ATOM 0 HB3 MET A 6 8.695 0.646 2.415 1.00 51.30 H new ATOM 0 HG2 MET A 6 8.635 2.955 2.147 1.00 60.42 H new ATOM 0 HG3 MET A 6 7.753 3.219 3.638 1.00 60.42 H new ATOM 0 HE1 MET A 6 10.343 4.800 5.587 1.00 11.25 H new ATOM 0 HE2 MET A 6 10.038 5.383 3.934 1.00 11.25 H new ATOM 0 HE3 MET A 6 8.701 4.724 4.906 1.00 11.25 H new ATOM 142 N LYS A 7 5.665 2.181 1.355 1.00 62.32 N ATOM 143 CA LYS A 7 5.181 2.431 0.003 1.00 33.31 C ATOM 144 C LYS A 7 5.929 3.597 -0.635 1.00 30.24 C ATOM 145 O LYS A 7 6.774 4.228 0.000 1.00 4.54 O ATOM 146 CB LYS A 7 3.679 2.722 0.021 1.00 61.03 C ATOM 147 CG LYS A 7 3.230 3.526 1.229 1.00 53.25 C ATOM 148 CD LYS A 7 2.654 2.631 2.313 1.00 34.44 C ATOM 149 CE LYS A 7 1.352 1.982 1.867 1.00 15.53 C ATOM 150 NZ LYS A 7 0.555 1.485 3.022 1.00 53.51 N ATOM 0 H LYS A 7 5.533 2.960 2.000 1.00 62.32 H new ATOM 0 HA LYS A 7 5.363 1.536 -0.592 1.00 33.31 H new ATOM 0 HB2 LYS A 7 3.412 3.264 -0.886 1.00 61.03 H new ATOM 0 HB3 LYS A 7 3.134 1.778 0.000 1.00 61.03 H new ATOM 0 HG2 LYS A 7 4.076 4.085 1.629 1.00 53.25 H new ATOM 0 HG3 LYS A 7 2.481 4.256 0.923 1.00 53.25 H new ATOM 0 HD2 LYS A 7 3.378 1.858 2.570 1.00 34.44 H new ATOM 0 HD3 LYS A 7 2.479 3.217 3.215 1.00 34.44 H new ATOM 0 HE2 LYS A 7 0.762 2.704 1.302 1.00 15.53 H new ATOM 0 HE3 LYS A 7 1.571 1.153 1.194 1.00 15.53 H new ATOM 0 HZ1 LYS A 7 -0.451 1.697 2.866 1.00 53.51 H new ATOM 0 HZ2 LYS A 7 0.682 0.457 3.114 1.00 53.51 H new ATOM 0 HZ3 LYS A 7 0.877 1.953 3.893 1.00 53.51 H new ATOM 164 N LYS A 8 5.612 3.879 -1.895 1.00 40.01 N ATOM 165 CA LYS A 8 6.251 4.972 -2.619 1.00 63.43 C ATOM 166 C LYS A 8 5.225 5.769 -3.418 1.00 63.31 C ATOM 167 O LYS A 8 4.253 5.210 -3.929 1.00 34.22 O ATOM 168 CB LYS A 8 7.332 4.427 -3.556 1.00 2.21 C ATOM 169 CG LYS A 8 8.129 5.511 -4.260 1.00 50.24 C ATOM 170 CD LYS A 8 8.990 4.936 -5.373 1.00 5.34 C ATOM 171 CE LYS A 8 8.284 5.014 -6.719 1.00 25.21 C ATOM 172 NZ LYS A 8 8.031 3.662 -7.290 1.00 3.21 N ATOM 0 H LYS A 8 4.916 3.365 -2.436 1.00 40.01 H new ATOM 0 HA LYS A 8 6.713 5.637 -1.889 1.00 63.43 H new ATOM 0 HB2 LYS A 8 8.015 3.800 -2.983 1.00 2.21 H new ATOM 0 HB3 LYS A 8 6.864 3.788 -4.305 1.00 2.21 H new ATOM 0 HG2 LYS A 8 7.448 6.255 -4.673 1.00 50.24 H new ATOM 0 HG3 LYS A 8 8.762 6.026 -3.537 1.00 50.24 H new ATOM 0 HD2 LYS A 8 9.933 5.480 -5.423 1.00 5.34 H new ATOM 0 HD3 LYS A 8 9.233 3.898 -5.148 1.00 5.34 H new ATOM 0 HE2 LYS A 8 7.338 5.542 -6.603 1.00 25.21 H new ATOM 0 HE3 LYS A 8 8.890 5.595 -7.414 1.00 25.21 H new ATOM 0 HZ1 LYS A 8 8.073 3.710 -8.328 1.00 3.21 H new ATOM 0 HZ2 LYS A 8 8.753 2.998 -6.944 1.00 3.21 H new ATOM 0 HZ3 LYS A 8 7.089 3.332 -6.997 1.00 3.21 H new ATOM 186 N CYS A 9 5.447 7.073 -3.523 1.00 44.32 N ATOM 187 CA CYS A 9 4.542 7.947 -4.261 1.00 30.10 C ATOM 188 C CYS A 9 4.668 7.716 -5.763 1.00 32.33 C ATOM 189 O CYS A 9 5.718 7.942 -6.365 1.00 24.32 O ATOM 190 CB CYS A 9 4.832 9.412 -3.932 1.00 2.42 C ATOM 191 SG CYS A 9 3.673 10.580 -4.683 1.00 42.42 S ATOM 0 H CYS A 9 6.247 7.550 -3.106 1.00 44.32 H new ATOM 0 HA CYS A 9 3.522 7.710 -3.959 1.00 30.10 H new ATOM 0 HB2 CYS A 9 4.812 9.541 -2.850 1.00 2.42 H new ATOM 0 HB3 CYS A 9 5.842 9.655 -4.263 1.00 2.42 H new ATOM 196 N PRO A 10 3.574 7.253 -6.385 1.00 24.34 N ATOM 197 CA PRO A 10 3.536 6.979 -7.825 1.00 52.14 C ATOM 198 C PRO A 10 3.590 8.255 -8.658 1.00 20.41 C ATOM 199 O PRO A 10 3.665 8.204 -9.886 1.00 40.34 O ATOM 200 CB PRO A 10 2.193 6.271 -8.017 1.00 73.45 C ATOM 201 CG PRO A 10 1.349 6.746 -6.886 1.00 64.52 C ATOM 202 CD PRO A 10 2.287 6.960 -5.730 1.00 73.13 C ATOM 0 HA PRO A 10 4.393 6.390 -8.151 1.00 52.14 H new ATOM 0 HB2 PRO A 10 1.746 6.524 -8.978 1.00 73.45 H new ATOM 0 HB3 PRO A 10 2.310 5.188 -7.996 1.00 73.45 H new ATOM 0 HG2 PRO A 10 0.833 7.670 -7.146 1.00 64.52 H new ATOM 0 HG3 PRO A 10 0.583 6.012 -6.636 1.00 64.52 H new ATOM 0 HD2 PRO A 10 1.962 7.785 -5.096 1.00 73.13 H new ATOM 0 HD3 PRO A 10 2.351 6.076 -5.095 1.00 73.13 H new ATOM 210 N LYS A 11 3.549 9.399 -7.984 1.00 50.00 N ATOM 211 CA LYS A 11 3.595 10.690 -8.661 1.00 23.23 C ATOM 212 C LYS A 11 5.015 11.245 -8.679 1.00 71.32 C ATOM 213 O LYS A 11 5.469 11.783 -9.690 1.00 63.12 O ATOM 214 CB LYS A 11 2.655 11.683 -7.974 1.00 53.21 C ATOM 215 CG LYS A 11 1.396 11.981 -8.771 1.00 71.14 C ATOM 216 CD LYS A 11 0.602 10.717 -9.051 1.00 15.12 C ATOM 217 CE LYS A 11 -0.795 11.037 -9.559 1.00 12.33 C ATOM 218 NZ LYS A 11 -1.584 9.805 -9.829 1.00 34.44 N ATOM 0 H LYS A 11 3.484 9.459 -6.968 1.00 50.00 H new ATOM 0 HA LYS A 11 3.269 10.544 -9.691 1.00 23.23 H new ATOM 0 HB2 LYS A 11 2.372 11.287 -6.999 1.00 53.21 H new ATOM 0 HB3 LYS A 11 3.192 12.615 -7.796 1.00 53.21 H new ATOM 0 HG2 LYS A 11 0.775 12.688 -8.221 1.00 71.14 H new ATOM 0 HG3 LYS A 11 1.665 12.459 -9.713 1.00 71.14 H new ATOM 0 HD2 LYS A 11 1.129 10.111 -9.789 1.00 15.12 H new ATOM 0 HD3 LYS A 11 0.532 10.121 -8.141 1.00 15.12 H new ATOM 0 HE2 LYS A 11 -1.317 11.648 -8.823 1.00 12.33 H new ATOM 0 HE3 LYS A 11 -0.723 11.629 -10.472 1.00 12.33 H new ATOM 0 HZ1 LYS A 11 -2.530 10.067 -10.173 1.00 34.44 H new ATOM 0 HZ2 LYS A 11 -1.099 9.233 -10.550 1.00 34.44 H new ATOM 0 HZ3 LYS A 11 -1.676 9.252 -8.953 1.00 34.44 H new ATOM 232 N CYS A 12 5.712 11.110 -7.556 1.00 1.13 N ATOM 233 CA CYS A 12 7.082 11.599 -7.443 1.00 24.31 C ATOM 234 C CYS A 12 8.065 10.439 -7.327 1.00 32.33 C ATOM 235 O CYS A 12 8.987 10.312 -8.131 1.00 74.52 O ATOM 236 CB CYS A 12 7.217 12.520 -6.230 1.00 14.50 C ATOM 237 SG CYS A 12 5.856 13.695 -6.039 1.00 42.51 S ATOM 0 H CYS A 12 5.351 10.666 -6.711 1.00 1.13 H new ATOM 0 HA CYS A 12 7.317 12.162 -8.346 1.00 24.31 H new ATOM 0 HB2 CYS A 12 7.285 11.909 -5.330 1.00 14.50 H new ATOM 0 HB3 CYS A 12 8.152 13.074 -6.310 1.00 14.50 H new ATOM 242 N GLY A 13 7.861 9.594 -6.320 1.00 14.25 N ATOM 243 CA GLY A 13 8.738 8.456 -6.118 1.00 51.12 C ATOM 244 C GLY A 13 9.407 8.476 -4.757 1.00 21.45 C ATOM 245 O GLY A 13 10.494 7.925 -4.584 1.00 52.23 O ATOM 0 H GLY A 13 7.104 9.678 -5.641 1.00 14.25 H new ATOM 0 HA2 GLY A 13 8.164 7.535 -6.224 1.00 51.12 H new ATOM 0 HA3 GLY A 13 9.502 8.447 -6.895 1.00 51.12 H new ATOM 249 N LEU A 14 8.755 9.111 -3.789 1.00 53.31 N ATOM 250 CA LEU A 14 9.294 9.201 -2.436 1.00 12.13 C ATOM 251 C LEU A 14 8.798 8.045 -1.575 1.00 61.45 C ATOM 252 O LEU A 14 7.613 7.711 -1.589 1.00 73.31 O ATOM 253 CB LEU A 14 8.900 10.534 -1.797 1.00 12.00 C ATOM 254 CG LEU A 14 8.866 10.561 -0.269 1.00 5.33 C ATOM 255 CD1 LEU A 14 10.249 10.296 0.302 1.00 15.31 C ATOM 256 CD2 LEU A 14 8.328 11.895 0.229 1.00 23.01 C ATOM 0 H LEU A 14 7.853 9.571 -3.915 1.00 53.31 H new ATOM 0 HA LEU A 14 10.381 9.142 -2.499 1.00 12.13 H new ATOM 0 HB2 LEU A 14 9.598 11.298 -2.139 1.00 12.00 H new ATOM 0 HB3 LEU A 14 7.914 10.814 -2.168 1.00 12.00 H new ATOM 0 HG LEU A 14 8.198 9.771 0.073 1.00 5.33 H new ATOM 0 HD11 LEU A 14 10.204 10.319 1.391 1.00 15.31 H new ATOM 0 HD12 LEU A 14 10.596 9.316 -0.026 1.00 15.31 H new ATOM 0 HD13 LEU A 14 10.940 11.062 -0.049 1.00 15.31 H new ATOM 0 HD21 LEU A 14 8.311 11.896 1.319 1.00 23.01 H new ATOM 0 HD22 LEU A 14 8.970 12.701 -0.125 1.00 23.01 H new ATOM 0 HD23 LEU A 14 7.317 12.044 -0.150 1.00 23.01 H new ATOM 268 N TYR A 15 9.711 7.439 -0.824 1.00 65.24 N ATOM 269 CA TYR A 15 9.367 6.320 0.045 1.00 20.44 C ATOM 270 C TYR A 15 8.856 6.814 1.395 1.00 2.21 C ATOM 271 O TYR A 15 9.328 7.824 1.919 1.00 64.22 O ATOM 272 CB TYR A 15 10.580 5.412 0.248 1.00 40.15 C ATOM 273 CG TYR A 15 10.495 4.107 -0.511 1.00 12.10 C ATOM 274 CD1 TYR A 15 10.487 4.088 -1.900 1.00 11.31 C ATOM 275 CD2 TYR A 15 10.421 2.893 0.161 1.00 63.32 C ATOM 276 CE1 TYR A 15 10.408 2.898 -2.598 1.00 53.41 C ATOM 277 CE2 TYR A 15 10.343 1.699 -0.528 1.00 21.44 C ATOM 278 CZ TYR A 15 10.337 1.707 -1.908 1.00 71.13 C ATOM 279 OH TYR A 15 10.259 0.519 -2.598 1.00 60.40 O ATOM 0 H TYR A 15 10.696 7.704 -0.800 1.00 65.24 H new ATOM 0 HA TYR A 15 8.572 5.751 -0.437 1.00 20.44 H new ATOM 0 HB2 TYR A 15 11.478 5.945 -0.063 1.00 40.15 H new ATOM 0 HB3 TYR A 15 10.689 5.198 1.311 1.00 40.15 H new ATOM 0 HD1 TYR A 15 10.544 5.019 -2.444 1.00 11.31 H new ATOM 0 HD2 TYR A 15 10.425 2.883 1.241 1.00 63.32 H new ATOM 0 HE1 TYR A 15 10.402 2.901 -3.678 1.00 53.41 H new ATOM 0 HE2 TYR A 15 10.287 0.764 0.010 1.00 21.44 H new ATOM 0 HH TYR A 15 10.217 -0.226 -1.963 1.00 60.40 H new ATOM 289 N THR A 16 7.887 6.096 1.953 1.00 4.04 N ATOM 290 CA THR A 16 7.310 6.460 3.241 1.00 15.40 C ATOM 291 C THR A 16 6.305 5.414 3.709 1.00 10.30 C ATOM 292 O THR A 16 5.937 4.512 2.956 1.00 22.50 O ATOM 293 CB THR A 16 6.613 7.832 3.176 1.00 50.34 C ATOM 294 OG1 THR A 16 6.184 8.225 4.484 1.00 4.21 O ATOM 295 CG2 THR A 16 5.417 7.788 2.236 1.00 64.54 C ATOM 0 H THR A 16 7.485 5.258 1.533 1.00 4.04 H new ATOM 0 HA THR A 16 8.134 6.512 3.953 1.00 15.40 H new ATOM 0 HB THR A 16 7.328 8.561 2.794 1.00 50.34 H new ATOM 0 HG1 THR A 16 5.743 9.099 4.435 1.00 4.21 H new ATOM 0 HG21 THR A 16 4.941 8.768 2.207 1.00 64.54 H new ATOM 0 HG22 THR A 16 5.751 7.517 1.235 1.00 64.54 H new ATOM 0 HG23 THR A 16 4.701 7.048 2.593 1.00 64.54 H new ATOM 303 N LEU A 17 5.865 5.540 4.956 1.00 44.10 N ATOM 304 CA LEU A 17 4.900 4.605 5.525 1.00 1.31 C ATOM 305 C LEU A 17 3.628 5.329 5.954 1.00 43.13 C ATOM 306 O LEU A 17 2.706 4.718 6.496 1.00 33.14 O ATOM 307 CB LEU A 17 5.513 3.874 6.721 1.00 43.52 C ATOM 308 CG LEU A 17 6.844 3.166 6.465 1.00 52.01 C ATOM 309 CD1 LEU A 17 7.824 3.448 7.593 1.00 72.40 C ATOM 310 CD2 LEU A 17 6.628 1.669 6.303 1.00 71.34 C ATOM 0 H LEU A 17 6.161 6.280 5.592 1.00 44.10 H new ATOM 0 HA LEU A 17 4.640 3.877 4.757 1.00 1.31 H new ATOM 0 HB2 LEU A 17 5.657 4.594 7.527 1.00 43.52 H new ATOM 0 HB3 LEU A 17 4.794 3.136 7.077 1.00 43.52 H new ATOM 0 HG LEU A 17 7.269 3.553 5.539 1.00 52.01 H new ATOM 0 HD11 LEU A 17 8.765 2.936 7.394 1.00 72.40 H new ATOM 0 HD12 LEU A 17 8.002 4.521 7.661 1.00 72.40 H new ATOM 0 HD13 LEU A 17 7.408 3.089 8.534 1.00 72.40 H new ATOM 0 HD21 LEU A 17 7.585 1.181 6.121 1.00 71.34 H new ATOM 0 HD22 LEU A 17 6.181 1.265 7.212 1.00 71.34 H new ATOM 0 HD23 LEU A 17 5.962 1.487 5.460 1.00 71.34 H new ATOM 322 N LYS A 18 3.584 6.634 5.709 1.00 73.43 N ATOM 323 CA LYS A 18 2.424 7.442 6.066 1.00 55.11 C ATOM 324 C LYS A 18 1.303 7.266 5.047 1.00 31.42 C ATOM 325 O LYS A 18 0.216 7.819 5.205 1.00 74.11 O ATOM 326 CB LYS A 18 2.815 8.919 6.160 1.00 25.42 C ATOM 327 CG LYS A 18 3.634 9.254 7.394 1.00 32.11 C ATOM 328 CD LYS A 18 2.760 9.791 8.515 1.00 72.12 C ATOM 329 CE LYS A 18 2.185 8.666 9.362 1.00 73.51 C ATOM 330 NZ LYS A 18 1.688 9.158 10.676 1.00 55.02 N ATOM 0 H LYS A 18 4.339 7.155 5.264 1.00 73.43 H new ATOM 0 HA LYS A 18 2.063 7.105 7.038 1.00 55.11 H new ATOM 0 HB2 LYS A 18 3.384 9.193 5.271 1.00 25.42 H new ATOM 0 HB3 LYS A 18 1.910 9.527 6.159 1.00 25.42 H new ATOM 0 HG2 LYS A 18 4.159 8.362 7.736 1.00 32.11 H new ATOM 0 HG3 LYS A 18 4.394 9.993 7.138 1.00 32.11 H new ATOM 0 HD2 LYS A 18 3.346 10.460 9.146 1.00 72.12 H new ATOM 0 HD3 LYS A 18 1.947 10.382 8.093 1.00 72.12 H new ATOM 0 HE2 LYS A 18 1.369 8.186 8.822 1.00 73.51 H new ATOM 0 HE3 LYS A 18 2.950 7.907 9.525 1.00 73.51 H new ATOM 0 HZ1 LYS A 18 1.304 8.361 11.223 1.00 55.02 H new ATOM 0 HZ2 LYS A 18 2.472 9.594 11.203 1.00 55.02 H new ATOM 0 HZ3 LYS A 18 0.940 9.864 10.522 1.00 55.02 H new ATOM 344 N GLU A 19 1.576 6.489 4.003 1.00 33.34 N ATOM 345 CA GLU A 19 0.589 6.239 2.958 1.00 45.24 C ATOM 346 C GLU A 19 0.237 7.531 2.224 1.00 32.40 C ATOM 347 O GLU A 19 -0.701 7.567 1.427 1.00 23.23 O ATOM 348 CB GLU A 19 -0.675 5.620 3.558 1.00 11.10 C ATOM 349 CG GLU A 19 -0.404 4.400 4.422 1.00 13.23 C ATOM 350 CD GLU A 19 -1.460 3.323 4.258 1.00 43.43 C ATOM 351 OE1 GLU A 19 -1.819 3.015 3.103 1.00 0.31 O ATOM 352 OE2 GLU A 19 -1.928 2.790 5.285 1.00 63.13 O ATOM 0 H GLU A 19 2.471 6.022 3.858 1.00 33.34 H new ATOM 0 HA GLU A 19 1.022 5.540 2.242 1.00 45.24 H new ATOM 0 HB2 GLU A 19 -1.189 6.372 4.157 1.00 11.10 H new ATOM 0 HB3 GLU A 19 -1.351 5.340 2.750 1.00 11.10 H new ATOM 0 HG2 GLU A 19 0.572 3.988 4.167 1.00 13.23 H new ATOM 0 HG3 GLU A 19 -0.359 4.703 5.468 1.00 13.23 H new ATOM 359 N ILE A 20 0.996 8.586 2.497 1.00 62.44 N ATOM 360 CA ILE A 20 0.765 9.877 1.862 1.00 5.23 C ATOM 361 C ILE A 20 2.080 10.599 1.590 1.00 32.14 C ATOM 362 O ILE A 20 2.977 10.616 2.434 1.00 4.44 O ATOM 363 CB ILE A 20 -0.132 10.779 2.730 1.00 64.32 C ATOM 364 CG1 ILE A 20 -1.493 10.117 2.956 1.00 4.23 C ATOM 365 CG2 ILE A 20 -0.302 12.143 2.079 1.00 73.24 C ATOM 366 CD1 ILE A 20 -2.351 10.062 1.712 1.00 32.43 C ATOM 0 H ILE A 20 1.776 8.572 3.154 1.00 62.44 H new ATOM 0 HA ILE A 20 0.260 9.678 0.917 1.00 5.23 H new ATOM 0 HB ILE A 20 0.348 10.918 3.698 1.00 64.32 H new ATOM 0 HG12 ILE A 20 -1.338 9.104 3.326 1.00 4.23 H new ATOM 0 HG13 ILE A 20 -2.029 10.662 3.733 1.00 4.23 H new ATOM 0 HG21 ILE A 20 -0.939 12.768 2.705 1.00 73.24 H new ATOM 0 HG22 ILE A 20 0.673 12.616 1.966 1.00 73.24 H new ATOM 0 HG23 ILE A 20 -0.763 12.023 1.098 1.00 73.24 H new ATOM 0 HD11 ILE A 20 -3.300 9.580 1.946 1.00 32.43 H new ATOM 0 HD12 ILE A 20 -2.536 11.074 1.353 1.00 32.43 H new ATOM 0 HD13 ILE A 20 -1.835 9.492 0.939 1.00 32.43 H new ATOM 378 N CYS A 21 2.188 11.194 0.407 1.00 61.21 N ATOM 379 CA CYS A 21 3.394 11.919 0.023 1.00 22.30 C ATOM 380 C CYS A 21 3.431 13.297 0.676 1.00 72.04 C ATOM 381 O CYS A 21 2.611 14.169 0.391 1.00 4.52 O ATOM 382 CB CYS A 21 3.465 12.061 -1.499 1.00 40.12 C ATOM 383 SG CYS A 21 4.941 12.922 -2.090 1.00 4.55 S ATOM 0 H CYS A 21 1.455 11.189 -0.303 1.00 61.21 H new ATOM 0 HA CYS A 21 4.257 11.350 0.369 1.00 22.30 H new ATOM 0 HB2 CYS A 21 3.432 11.068 -1.948 1.00 40.12 H new ATOM 0 HB3 CYS A 21 2.581 12.597 -1.845 1.00 40.12 H new ATOM 388 N PRO A 22 4.405 13.499 1.576 1.00 71.35 N ATOM 389 CA PRO A 22 4.573 14.767 2.290 1.00 5.14 C ATOM 390 C PRO A 22 5.052 15.889 1.375 1.00 74.21 C ATOM 391 O PRO A 22 5.129 17.048 1.783 1.00 24.44 O ATOM 392 CB PRO A 22 5.636 14.445 3.342 1.00 42.33 C ATOM 393 CG PRO A 22 6.405 13.306 2.768 1.00 52.02 C ATOM 394 CD PRO A 22 5.418 12.503 1.966 1.00 60.12 C ATOM 0 HA PRO A 22 3.633 15.125 2.710 1.00 5.14 H new ATOM 0 HB2 PRO A 22 6.281 15.304 3.529 1.00 42.33 H new ATOM 0 HB3 PRO A 22 5.181 14.175 4.295 1.00 42.33 H new ATOM 0 HG2 PRO A 22 7.220 13.663 2.139 1.00 52.02 H new ATOM 0 HG3 PRO A 22 6.852 12.700 3.556 1.00 52.02 H new ATOM 0 HD2 PRO A 22 5.886 12.044 1.095 1.00 60.12 H new ATOM 0 HD3 PRO A 22 4.982 11.696 2.556 1.00 60.12 H new ATOM 402 N LYS A 23 5.375 15.536 0.135 1.00 5.31 N ATOM 403 CA LYS A 23 5.845 16.513 -0.840 1.00 54.53 C ATOM 404 C LYS A 23 4.673 17.195 -1.538 1.00 24.01 C ATOM 405 O LYS A 23 4.514 18.414 -1.457 1.00 31.05 O ATOM 406 CB LYS A 23 6.745 15.837 -1.877 1.00 23.44 C ATOM 407 CG LYS A 23 8.094 16.514 -2.046 1.00 12.44 C ATOM 408 CD LYS A 23 8.923 16.429 -0.777 1.00 75.02 C ATOM 409 CE LYS A 23 9.758 17.684 -0.571 1.00 4.03 C ATOM 410 NZ LYS A 23 10.688 17.925 -1.708 1.00 30.04 N ATOM 0 H LYS A 23 5.320 14.581 -0.218 1.00 5.31 H new ATOM 0 HA LYS A 23 6.419 17.271 -0.307 1.00 54.53 H new ATOM 0 HB2 LYS A 23 6.903 14.798 -1.586 1.00 23.44 H new ATOM 0 HB3 LYS A 23 6.231 15.824 -2.838 1.00 23.44 H new ATOM 0 HG2 LYS A 23 8.636 16.046 -2.868 1.00 12.44 H new ATOM 0 HG3 LYS A 23 7.946 17.560 -2.316 1.00 12.44 H new ATOM 0 HD2 LYS A 23 8.265 16.284 0.080 1.00 75.02 H new ATOM 0 HD3 LYS A 23 9.578 15.559 -0.827 1.00 75.02 H new ATOM 0 HE2 LYS A 23 9.098 18.544 -0.453 1.00 4.03 H new ATOM 0 HE3 LYS A 23 10.330 17.592 0.352 1.00 4.03 H new ATOM 0 HZ1 LYS A 23 11.309 18.729 -1.484 1.00 30.04 H new ATOM 0 HZ2 LYS A 23 11.266 17.076 -1.870 1.00 30.04 H new ATOM 0 HZ3 LYS A 23 10.140 18.139 -2.565 1.00 30.04 H new ATOM 424 N CYS A 24 3.853 16.402 -2.218 1.00 22.40 N ATOM 425 CA CYS A 24 2.693 16.929 -2.929 1.00 50.55 C ATOM 426 C CYS A 24 1.408 16.648 -2.157 1.00 64.11 C ATOM 427 O CYS A 24 0.510 17.486 -2.099 1.00 63.32 O ATOM 428 CB CYS A 24 2.606 16.320 -4.329 1.00 64.15 C ATOM 429 SG CYS A 24 2.586 14.511 -4.346 1.00 51.42 S ATOM 0 H CYS A 24 3.970 15.391 -2.292 1.00 22.40 H new ATOM 0 HA CYS A 24 2.812 18.009 -3.018 1.00 50.55 H new ATOM 0 HB2 CYS A 24 1.704 16.687 -4.818 1.00 64.15 H new ATOM 0 HB3 CYS A 24 3.453 16.669 -4.919 1.00 64.15 H new ATOM 434 N GLY A 25 1.327 15.459 -1.566 1.00 32.24 N ATOM 435 CA GLY A 25 0.147 15.086 -0.808 1.00 65.13 C ATOM 436 C GLY A 25 -0.491 13.809 -1.317 1.00 73.31 C ATOM 437 O GLY A 25 -1.163 13.103 -0.567 1.00 34.00 O ATOM 0 H GLY A 25 2.058 14.748 -1.599 1.00 32.24 H new ATOM 0 HA2 GLY A 25 0.418 14.960 0.240 1.00 65.13 H new ATOM 0 HA3 GLY A 25 -0.581 15.896 -0.854 1.00 65.13 H new ATOM 441 N GLU A 26 -0.280 13.514 -2.596 1.00 33.13 N ATOM 442 CA GLU A 26 -0.842 12.313 -3.205 1.00 63.03 C ATOM 443 C GLU A 26 -0.514 11.077 -2.372 1.00 71.23 C ATOM 444 O GLU A 26 0.576 10.962 -1.812 1.00 74.22 O ATOM 445 CB GLU A 26 -0.310 12.139 -4.628 1.00 54.22 C ATOM 446 CG GLU A 26 -0.978 11.010 -5.395 1.00 2.40 C ATOM 447 CD GLU A 26 -2.468 10.926 -5.126 1.00 22.02 C ATOM 448 OE1 GLU A 26 -3.149 11.967 -5.235 1.00 44.30 O ATOM 449 OE2 GLU A 26 -2.953 9.820 -4.807 1.00 54.41 O ATOM 0 H GLU A 26 0.275 14.089 -3.230 1.00 33.13 H new ATOM 0 HA GLU A 26 -1.925 12.428 -3.242 1.00 63.03 H new ATOM 0 HB2 GLU A 26 -0.450 13.071 -5.175 1.00 54.22 H new ATOM 0 HB3 GLU A 26 0.763 11.952 -4.585 1.00 54.22 H new ATOM 0 HG2 GLU A 26 -0.813 11.153 -6.463 1.00 2.40 H new ATOM 0 HG3 GLU A 26 -0.509 10.064 -5.124 1.00 2.40 H new ATOM 456 N LYS A 27 -1.466 10.153 -2.296 1.00 63.25 N ATOM 457 CA LYS A 27 -1.281 8.925 -1.533 1.00 75.11 C ATOM 458 C LYS A 27 -0.189 8.059 -2.153 1.00 33.22 C ATOM 459 O LYS A 27 -0.040 8.009 -3.375 1.00 23.13 O ATOM 460 CB LYS A 27 -2.593 8.139 -1.465 1.00 14.33 C ATOM 461 CG LYS A 27 -3.802 9.000 -1.147 1.00 11.51 C ATOM 462 CD LYS A 27 -4.765 8.287 -0.213 1.00 33.41 C ATOM 463 CE LYS A 27 -5.627 7.282 -0.963 1.00 55.34 C ATOM 464 NZ LYS A 27 -6.278 6.312 -0.039 1.00 1.04 N ATOM 0 H LYS A 27 -2.374 10.232 -2.754 1.00 63.25 H new ATOM 0 HA LYS A 27 -0.975 9.197 -0.523 1.00 75.11 H new ATOM 0 HB2 LYS A 27 -2.756 7.637 -2.419 1.00 14.33 H new ATOM 0 HB3 LYS A 27 -2.502 7.361 -0.707 1.00 14.33 H new ATOM 0 HG2 LYS A 27 -3.475 9.934 -0.690 1.00 11.51 H new ATOM 0 HG3 LYS A 27 -4.317 9.261 -2.072 1.00 11.51 H new ATOM 0 HD2 LYS A 27 -4.204 7.775 0.569 1.00 33.41 H new ATOM 0 HD3 LYS A 27 -5.404 9.019 0.281 1.00 33.41 H new ATOM 0 HE2 LYS A 27 -6.392 7.812 -1.531 1.00 55.34 H new ATOM 0 HE3 LYS A 27 -5.012 6.742 -1.683 1.00 55.34 H new ATOM 0 HZ1 LYS A 27 -6.856 5.644 -0.588 1.00 1.04 H new ATOM 0 HZ2 LYS A 27 -5.548 5.788 0.485 1.00 1.04 H new ATOM 0 HZ3 LYS A 27 -6.885 6.825 0.632 1.00 1.04 H new ATOM 478 N THR A 28 0.574 7.376 -1.304 1.00 4.44 N ATOM 479 CA THR A 28 1.651 6.513 -1.768 1.00 74.32 C ATOM 480 C THR A 28 1.139 5.108 -2.069 1.00 50.12 C ATOM 481 O THR A 28 0.169 4.649 -1.468 1.00 61.33 O ATOM 482 CB THR A 28 2.786 6.422 -0.730 1.00 1.24 C ATOM 483 OG1 THR A 28 2.244 6.486 0.593 1.00 61.15 O ATOM 484 CG2 THR A 28 3.790 7.547 -0.928 1.00 45.14 C ATOM 0 H THR A 28 0.465 7.405 -0.290 1.00 4.44 H new ATOM 0 HA THR A 28 2.041 6.959 -2.683 1.00 74.32 H new ATOM 0 HB THR A 28 3.300 5.470 -0.866 1.00 1.24 H new ATOM 0 HG1 THR A 28 2.971 6.426 1.248 1.00 61.15 H new ATOM 0 HG21 THR A 28 4.582 7.463 -0.184 1.00 45.14 H new ATOM 0 HG22 THR A 28 4.221 7.478 -1.927 1.00 45.14 H new ATOM 0 HG23 THR A 28 3.287 8.507 -0.815 1.00 45.14 H new ATOM 492 N VAL A 29 1.799 4.430 -3.003 1.00 63.12 N ATOM 493 CA VAL A 29 1.412 3.077 -3.382 1.00 43.14 C ATOM 494 C VAL A 29 2.618 2.144 -3.398 1.00 62.22 C ATOM 495 O VAL A 29 3.762 2.594 -3.479 1.00 23.02 O ATOM 496 CB VAL A 29 0.740 3.053 -4.768 1.00 71.04 C ATOM 497 CG1 VAL A 29 -0.416 4.039 -4.818 1.00 2.23 C ATOM 498 CG2 VAL A 29 1.758 3.354 -5.858 1.00 64.21 C ATOM 0 H VAL A 29 2.604 4.796 -3.511 1.00 63.12 H new ATOM 0 HA VAL A 29 0.699 2.731 -2.634 1.00 43.14 H new ATOM 0 HB VAL A 29 0.340 2.054 -4.942 1.00 71.04 H new ATOM 0 HG11 VAL A 29 -0.878 4.008 -5.805 1.00 2.23 H new ATOM 0 HG12 VAL A 29 -1.155 3.772 -4.062 1.00 2.23 H new ATOM 0 HG13 VAL A 29 -0.045 5.045 -4.623 1.00 2.23 H new ATOM 0 HG21 VAL A 29 1.267 3.333 -6.831 1.00 64.21 H new ATOM 0 HG22 VAL A 29 2.189 4.341 -5.691 1.00 64.21 H new ATOM 0 HG23 VAL A 29 2.549 2.604 -5.835 1.00 64.21 H new ATOM 508 N ILE A 30 2.354 0.844 -3.318 1.00 14.33 N ATOM 509 CA ILE A 30 3.419 -0.152 -3.325 1.00 44.20 C ATOM 510 C ILE A 30 4.193 -0.121 -4.638 1.00 11.14 C ATOM 511 O ILE A 30 3.672 -0.451 -5.703 1.00 24.22 O ATOM 512 CB ILE A 30 2.862 -1.571 -3.103 1.00 11.23 C ATOM 513 CG1 ILE A 30 1.936 -1.595 -1.886 1.00 65.12 C ATOM 514 CG2 ILE A 30 4.001 -2.565 -2.929 1.00 0.03 C ATOM 515 CD1 ILE A 30 2.596 -1.106 -0.615 1.00 22.14 C ATOM 0 H ILE A 30 1.413 0.456 -3.248 1.00 14.33 H new ATOM 0 HA ILE A 30 4.092 0.099 -2.505 1.00 44.20 H new ATOM 0 HB ILE A 30 2.284 -1.860 -3.981 1.00 11.23 H new ATOM 0 HG12 ILE A 30 1.062 -0.978 -2.093 1.00 65.12 H new ATOM 0 HG13 ILE A 30 1.578 -2.613 -1.732 1.00 65.12 H new ATOM 0 HG21 ILE A 30 3.592 -3.563 -2.773 1.00 0.03 H new ATOM 0 HG22 ILE A 30 4.625 -2.564 -3.823 1.00 0.03 H new ATOM 0 HG23 ILE A 30 4.603 -2.281 -2.066 1.00 0.03 H new ATOM 0 HD11 ILE A 30 1.881 -1.151 0.207 1.00 22.14 H new ATOM 0 HD12 ILE A 30 3.454 -1.738 -0.384 1.00 22.14 H new ATOM 0 HD13 ILE A 30 2.929 -0.077 -0.751 1.00 22.14 H new ATOM 527 N PRO A 31 5.469 0.285 -4.562 1.00 35.05 N ATOM 528 CA PRO A 31 6.344 0.367 -5.736 1.00 53.31 C ATOM 529 C PRO A 31 6.711 -1.008 -6.282 1.00 12.24 C ATOM 530 O PRO A 31 6.602 -1.260 -7.484 1.00 62.55 O ATOM 531 CB PRO A 31 7.589 1.079 -5.201 1.00 45.31 C ATOM 532 CG PRO A 31 7.599 0.780 -3.742 1.00 23.23 C ATOM 533 CD PRO A 31 6.156 0.694 -3.326 1.00 51.42 C ATOM 0 HA PRO A 31 5.864 0.884 -6.567 1.00 53.31 H new ATOM 0 HB2 PRO A 31 8.494 0.713 -5.686 1.00 45.31 H new ATOM 0 HB3 PRO A 31 7.541 2.152 -5.385 1.00 45.31 H new ATOM 0 HG2 PRO A 31 8.120 -0.156 -3.539 1.00 23.23 H new ATOM 0 HG3 PRO A 31 8.119 1.561 -3.187 1.00 23.23 H new ATOM 0 HD2 PRO A 31 6.011 -0.032 -2.526 1.00 51.42 H new ATOM 0 HD3 PRO A 31 5.786 1.651 -2.958 1.00 51.42 H new ATOM 541 N LYS A 32 7.145 -1.896 -5.395 1.00 55.33 N ATOM 542 CA LYS A 32 7.527 -3.248 -5.787 1.00 15.12 C ATOM 543 C LYS A 32 6.815 -4.285 -4.926 1.00 21.21 C ATOM 544 O LYS A 32 6.375 -4.006 -3.811 1.00 63.33 O ATOM 545 CB LYS A 32 9.043 -3.426 -5.670 1.00 14.31 C ATOM 546 CG LYS A 32 9.817 -2.827 -6.833 1.00 63.44 C ATOM 547 CD LYS A 32 9.906 -3.796 -8.001 1.00 44.45 C ATOM 548 CE LYS A 32 8.738 -3.621 -8.958 1.00 15.14 C ATOM 549 NZ LYS A 32 9.123 -3.926 -10.365 1.00 52.22 N ATOM 0 H LYS A 32 7.241 -1.704 -4.398 1.00 55.33 H new ATOM 0 HA LYS A 32 7.229 -3.397 -6.825 1.00 15.12 H new ATOM 0 HB2 LYS A 32 9.384 -2.966 -4.742 1.00 14.31 H new ATOM 0 HB3 LYS A 32 9.271 -4.490 -5.602 1.00 14.31 H new ATOM 0 HG2 LYS A 32 9.332 -1.907 -7.159 1.00 63.44 H new ATOM 0 HG3 LYS A 32 10.821 -2.559 -6.504 1.00 63.44 H new ATOM 0 HD2 LYS A 32 10.843 -3.639 -8.536 1.00 44.45 H new ATOM 0 HD3 LYS A 32 9.921 -4.819 -7.626 1.00 44.45 H new ATOM 0 HE2 LYS A 32 7.920 -4.274 -8.656 1.00 15.14 H new ATOM 0 HE3 LYS A 32 8.368 -2.598 -8.896 1.00 15.14 H new ATOM 0 HZ1 LYS A 32 8.299 -3.795 -10.986 1.00 52.22 H new ATOM 0 HZ2 LYS A 32 9.887 -3.286 -10.663 1.00 52.22 H new ATOM 0 HZ3 LYS A 32 9.452 -4.911 -10.429 1.00 52.22 H new ATOM 563 N PRO A 33 6.699 -5.513 -5.452 1.00 34.51 N ATOM 564 CA PRO A 33 6.043 -6.619 -4.747 1.00 40.40 C ATOM 565 C PRO A 33 6.852 -7.103 -3.548 1.00 43.43 C ATOM 566 O PRO A 33 8.021 -6.758 -3.377 1.00 73.03 O ATOM 567 CB PRO A 33 5.956 -7.717 -5.811 1.00 11.34 C ATOM 568 CG PRO A 33 7.067 -7.417 -6.757 1.00 5.54 C ATOM 569 CD PRO A 33 7.201 -5.918 -6.776 1.00 33.23 C ATOM 0 HA PRO A 33 5.076 -6.325 -4.338 1.00 40.40 H new ATOM 0 HB2 PRO A 33 6.069 -8.707 -5.369 1.00 11.34 H new ATOM 0 HB3 PRO A 33 4.991 -7.702 -6.317 1.00 11.34 H new ATOM 0 HG2 PRO A 33 7.995 -7.888 -6.431 1.00 5.54 H new ATOM 0 HG3 PRO A 33 6.847 -7.802 -7.753 1.00 5.54 H new ATOM 0 HD2 PRO A 33 8.236 -5.609 -6.925 1.00 33.23 H new ATOM 0 HD3 PRO A 33 6.616 -5.473 -7.581 1.00 33.23 H new ATOM 577 N PRO A 34 6.216 -7.921 -2.697 1.00 50.24 N ATOM 578 CA PRO A 34 6.858 -8.470 -1.498 1.00 13.13 C ATOM 579 C PRO A 34 7.934 -9.497 -1.837 1.00 64.23 C ATOM 580 O PRO A 34 7.680 -10.463 -2.556 1.00 35.22 O ATOM 581 CB PRO A 34 5.701 -9.135 -0.749 1.00 5.10 C ATOM 582 CG PRO A 34 4.702 -9.461 -1.806 1.00 52.34 C ATOM 583 CD PRO A 34 4.822 -8.373 -2.837 1.00 32.00 C ATOM 0 HA PRO A 34 7.371 -7.700 -0.921 1.00 13.13 H new ATOM 0 HB2 PRO A 34 6.032 -10.033 -0.227 1.00 5.10 H new ATOM 0 HB3 PRO A 34 5.279 -8.467 0.002 1.00 5.10 H new ATOM 0 HG2 PRO A 34 4.903 -10.438 -2.245 1.00 52.34 H new ATOM 0 HG3 PRO A 34 3.694 -9.498 -1.393 1.00 52.34 H new ATOM 0 HD2 PRO A 34 4.620 -8.747 -3.841 1.00 32.00 H new ATOM 0 HD3 PRO A 34 4.117 -7.563 -2.650 1.00 32.00 H new ATOM 591 N LYS A 35 9.136 -9.283 -1.312 1.00 25.12 N ATOM 592 CA LYS A 35 10.250 -10.190 -1.556 1.00 50.15 C ATOM 593 C LYS A 35 10.129 -11.444 -0.696 1.00 64.02 C ATOM 594 O LYS A 35 10.074 -11.364 0.532 1.00 53.33 O ATOM 595 CB LYS A 35 11.579 -9.487 -1.268 1.00 31.22 C ATOM 596 CG LYS A 35 12.768 -10.130 -1.960 1.00 54.14 C ATOM 597 CD LYS A 35 13.401 -11.208 -1.097 1.00 43.13 C ATOM 598 CE LYS A 35 14.523 -10.647 -0.237 1.00 72.31 C ATOM 599 NZ LYS A 35 15.818 -10.607 -0.972 1.00 23.21 N ATOM 0 H LYS A 35 9.363 -8.488 -0.714 1.00 25.12 H new ATOM 0 HA LYS A 35 10.222 -10.486 -2.605 1.00 50.15 H new ATOM 0 HB2 LYS A 35 11.506 -8.446 -1.582 1.00 31.22 H new ATOM 0 HB3 LYS A 35 11.753 -9.484 -0.192 1.00 31.22 H new ATOM 0 HG2 LYS A 35 12.448 -10.563 -2.908 1.00 54.14 H new ATOM 0 HG3 LYS A 35 13.511 -9.367 -2.193 1.00 54.14 H new ATOM 0 HD2 LYS A 35 12.641 -11.657 -0.458 1.00 43.13 H new ATOM 0 HD3 LYS A 35 13.791 -12.002 -1.733 1.00 43.13 H new ATOM 0 HE2 LYS A 35 14.261 -9.641 0.092 1.00 72.31 H new ATOM 0 HE3 LYS A 35 14.633 -11.257 0.660 1.00 72.31 H new ATOM 0 HZ1 LYS A 35 16.557 -10.219 -0.352 1.00 23.21 H new ATOM 0 HZ2 LYS A 35 16.081 -11.570 -1.264 1.00 23.21 H new ATOM 0 HZ3 LYS A 35 15.721 -10.005 -1.814 1.00 23.21 H new ATOM 613 N PHE A 36 10.090 -12.601 -1.347 1.00 63.41 N ATOM 614 CA PHE A 36 9.976 -13.873 -0.641 1.00 55.41 C ATOM 615 C PHE A 36 10.427 -15.029 -1.529 1.00 23.35 C ATOM 616 O PHE A 36 9.714 -15.435 -2.447 1.00 70.51 O ATOM 617 CB PHE A 36 8.534 -14.098 -0.183 1.00 60.23 C ATOM 618 CG PHE A 36 8.426 -14.908 1.078 1.00 44.34 C ATOM 619 CD1 PHE A 36 8.991 -14.453 2.260 1.00 33.02 C ATOM 620 CD2 PHE A 36 7.759 -16.122 1.084 1.00 13.20 C ATOM 621 CE1 PHE A 36 8.894 -15.196 3.421 1.00 4.30 C ATOM 622 CE2 PHE A 36 7.658 -16.869 2.241 1.00 62.32 C ATOM 623 CZ PHE A 36 8.225 -16.405 3.413 1.00 55.21 C ATOM 0 H PHE A 36 10.136 -12.685 -2.363 1.00 63.41 H new ATOM 0 HA PHE A 36 10.625 -13.835 0.234 1.00 55.41 H new ATOM 0 HB2 PHE A 36 8.056 -13.131 -0.027 1.00 60.23 H new ATOM 0 HB3 PHE A 36 7.983 -14.602 -0.977 1.00 60.23 H new ATOM 0 HD1 PHE A 36 9.513 -13.507 2.273 1.00 33.02 H new ATOM 0 HD2 PHE A 36 7.312 -16.489 0.172 1.00 13.20 H new ATOM 0 HE1 PHE A 36 9.341 -14.832 4.334 1.00 4.30 H new ATOM 0 HE2 PHE A 36 7.137 -17.815 2.230 1.00 62.32 H new ATOM 0 HZ PHE A 36 8.145 -16.986 4.320 1.00 55.21 H new ATOM 633 N SER A 37 11.615 -15.555 -1.248 1.00 61.35 N ATOM 634 CA SER A 37 12.163 -16.662 -2.023 1.00 63.11 C ATOM 635 C SER A 37 13.184 -17.446 -1.203 1.00 24.34 C ATOM 636 O SER A 37 14.292 -16.972 -0.953 1.00 71.55 O ATOM 637 CB SER A 37 12.815 -16.142 -3.305 1.00 51.02 C ATOM 638 OG SER A 37 13.848 -15.217 -3.013 1.00 11.32 O ATOM 0 H SER A 37 12.216 -15.233 -0.490 1.00 61.35 H new ATOM 0 HA SER A 37 11.343 -17.330 -2.286 1.00 63.11 H new ATOM 0 HB2 SER A 37 13.221 -16.978 -3.875 1.00 51.02 H new ATOM 0 HB3 SER A 37 12.062 -15.665 -3.932 1.00 51.02 H new ATOM 0 HG SER A 37 14.325 -15.503 -2.206 1.00 11.32 H new ATOM 644 N LEU A 38 12.800 -18.649 -0.786 1.00 52.42 N ATOM 645 CA LEU A 38 13.680 -19.500 0.006 1.00 24.41 C ATOM 646 C LEU A 38 14.507 -20.414 -0.892 1.00 21.11 C ATOM 647 O LEU A 38 15.624 -20.796 -0.544 1.00 23.32 O ATOM 648 CB LEU A 38 12.861 -20.339 0.989 1.00 54.12 C ATOM 649 CG LEU A 38 13.609 -20.849 2.222 1.00 30.03 C ATOM 650 CD1 LEU A 38 12.638 -21.123 3.359 1.00 71.43 C ATOM 651 CD2 LEU A 38 14.404 -22.102 1.881 1.00 65.24 C ATOM 0 H LEU A 38 11.886 -19.056 -0.984 1.00 52.42 H new ATOM 0 HA LEU A 38 14.360 -18.857 0.564 1.00 24.41 H new ATOM 0 HB2 LEU A 38 12.012 -19.743 1.324 1.00 54.12 H new ATOM 0 HB3 LEU A 38 12.456 -21.198 0.453 1.00 54.12 H new ATOM 0 HG LEU A 38 14.307 -20.077 2.547 1.00 30.03 H new ATOM 0 HD11 LEU A 38 13.188 -21.485 4.228 1.00 71.43 H new ATOM 0 HD12 LEU A 38 12.113 -20.204 3.619 1.00 71.43 H new ATOM 0 HD13 LEU A 38 11.916 -21.877 3.047 1.00 71.43 H new ATOM 0 HD21 LEU A 38 14.930 -22.452 2.769 1.00 65.24 H new ATOM 0 HD22 LEU A 38 13.725 -22.880 1.532 1.00 65.24 H new ATOM 0 HD23 LEU A 38 15.127 -21.873 1.098 1.00 65.24 H new ATOM 663 N GLU A 39 13.952 -20.757 -2.051 1.00 43.14 N ATOM 664 CA GLU A 39 14.640 -21.624 -2.999 1.00 34.22 C ATOM 665 C GLU A 39 15.652 -20.834 -3.824 1.00 72.33 C ATOM 666 O GLU A 39 16.618 -21.393 -4.343 1.00 75.35 O ATOM 667 CB GLU A 39 13.631 -22.306 -3.927 1.00 51.13 C ATOM 668 CG GLU A 39 12.978 -21.357 -4.917 1.00 74.03 C ATOM 669 CD GLU A 39 12.073 -22.073 -5.900 1.00 73.20 C ATOM 670 OE1 GLU A 39 10.937 -22.421 -5.514 1.00 15.21 O ATOM 671 OE2 GLU A 39 12.499 -22.285 -7.055 1.00 62.14 O ATOM 0 H GLU A 39 13.029 -20.448 -2.355 1.00 43.14 H new ATOM 0 HA GLU A 39 15.175 -22.386 -2.432 1.00 34.22 H new ATOM 0 HB2 GLU A 39 14.135 -23.101 -4.477 1.00 51.13 H new ATOM 0 HB3 GLU A 39 12.856 -22.778 -3.323 1.00 51.13 H new ATOM 0 HG2 GLU A 39 12.399 -20.611 -4.372 1.00 74.03 H new ATOM 0 HG3 GLU A 39 13.752 -20.821 -5.466 1.00 74.03 H new ATOM 678 N ASP A 40 15.423 -19.531 -3.940 1.00 34.12 N ATOM 679 CA ASP A 40 16.314 -18.662 -4.700 1.00 55.20 C ATOM 680 C ASP A 40 17.728 -18.700 -4.129 1.00 50.34 C ATOM 681 O ASP A 40 18.034 -18.006 -3.159 1.00 72.50 O ATOM 682 CB ASP A 40 15.786 -17.227 -4.697 1.00 53.44 C ATOM 683 CG ASP A 40 14.874 -16.942 -5.874 1.00 41.23 C ATOM 684 OD1 ASP A 40 14.154 -17.868 -6.303 1.00 41.20 O ATOM 685 OD2 ASP A 40 14.880 -15.794 -6.366 1.00 42.13 O ATOM 0 H ASP A 40 14.627 -19.053 -3.517 1.00 34.12 H new ATOM 0 HA ASP A 40 16.348 -19.026 -5.727 1.00 55.20 H new ATOM 0 HB2 ASP A 40 15.244 -17.045 -3.769 1.00 53.44 H new ATOM 0 HB3 ASP A 40 16.627 -16.534 -4.717 1.00 53.44 H new ATOM 690 N ARG A 41 18.585 -19.513 -4.737 1.00 63.42 N ATOM 691 CA ARG A 41 19.966 -19.643 -4.288 1.00 62.33 C ATOM 692 C ARG A 41 20.740 -18.350 -4.530 1.00 20.31 C ATOM 693 O ARG A 41 21.510 -17.908 -3.678 1.00 64.14 O ATOM 694 CB ARG A 41 20.653 -20.804 -5.008 1.00 23.53 C ATOM 695 CG ARG A 41 20.624 -20.684 -6.523 1.00 62.32 C ATOM 696 CD ARG A 41 21.193 -21.925 -7.191 1.00 61.21 C ATOM 697 NE ARG A 41 22.588 -22.154 -6.824 1.00 64.02 N ATOM 698 CZ ARG A 41 23.246 -23.275 -7.097 1.00 62.45 C ATOM 699 NH1 ARG A 41 22.639 -24.265 -7.737 1.00 2.32 N ATOM 700 NH2 ARG A 41 24.513 -23.407 -6.730 1.00 73.55 N ATOM 0 H ARG A 41 18.347 -20.092 -5.542 1.00 63.42 H new ATOM 0 HA ARG A 41 19.956 -19.845 -3.217 1.00 62.33 H new ATOM 0 HB2 ARG A 41 21.690 -20.864 -4.677 1.00 23.53 H new ATOM 0 HB3 ARG A 41 20.171 -21.737 -4.717 1.00 23.53 H new ATOM 0 HG2 ARG A 41 19.598 -20.528 -6.857 1.00 62.32 H new ATOM 0 HG3 ARG A 41 21.196 -19.809 -6.831 1.00 62.32 H new ATOM 0 HD2 ARG A 41 20.597 -22.793 -6.910 1.00 61.21 H new ATOM 0 HD3 ARG A 41 21.115 -21.822 -8.273 1.00 61.21 H new ATOM 0 HE ARG A 41 23.084 -21.412 -6.331 1.00 64.02 H new ATOM 0 HH11 ARG A 41 21.664 -24.167 -8.021 1.00 2.32 H new ATOM 0 HH12 ARG A 41 23.147 -25.125 -7.945 1.00 2.32 H new ATOM 0 HH21 ARG A 41 24.983 -22.647 -6.238 1.00 73.55 H new ATOM 0 HH22 ARG A 41 25.018 -24.268 -6.940 1.00 73.55 H new ATOM 714 N TRP A 42 20.531 -17.753 -5.696 1.00 3.44 N ATOM 715 CA TRP A 42 21.209 -16.511 -6.052 1.00 51.32 C ATOM 716 C TRP A 42 20.258 -15.323 -5.955 1.00 11.11 C ATOM 717 O TRP A 42 20.688 -14.184 -5.778 1.00 62.41 O ATOM 718 CB TRP A 42 21.783 -16.606 -7.466 1.00 55.24 C ATOM 719 CG TRP A 42 23.156 -17.207 -7.510 1.00 10.42 C ATOM 720 CD1 TRP A 42 23.585 -18.321 -6.845 1.00 55.30 C ATOM 721 CD2 TRP A 42 24.278 -16.725 -8.257 1.00 73.42 C ATOM 722 NE1 TRP A 42 24.907 -18.560 -7.134 1.00 1.43 N ATOM 723 CE2 TRP A 42 25.356 -17.596 -7.999 1.00 25.12 C ATOM 724 CE3 TRP A 42 24.478 -15.645 -9.121 1.00 70.24 C ATOM 725 CZ2 TRP A 42 26.612 -17.418 -8.572 1.00 3.35 C ATOM 726 CZ3 TRP A 42 25.726 -15.469 -9.689 1.00 42.24 C ATOM 727 CH2 TRP A 42 26.779 -16.351 -9.414 1.00 31.55 C ATOM 0 H TRP A 42 19.897 -18.108 -6.412 1.00 3.44 H new ATOM 0 HA TRP A 42 22.025 -16.357 -5.346 1.00 51.32 H new ATOM 0 HB2 TRP A 42 21.112 -17.204 -8.083 1.00 55.24 H new ATOM 0 HB3 TRP A 42 21.816 -15.609 -7.905 1.00 55.24 H new ATOM 0 HD1 TRP A 42 22.975 -18.925 -6.189 1.00 55.30 H new ATOM 0 HE1 TRP A 42 25.464 -19.330 -6.765 1.00 1.43 H new ATOM 0 HE3 TRP A 42 23.672 -14.960 -9.341 1.00 70.24 H new ATOM 0 HZ2 TRP A 42 27.425 -18.097 -8.360 1.00 3.35 H new ATOM 0 HZ3 TRP A 42 25.892 -14.637 -10.357 1.00 42.24 H new ATOM 0 HH2 TRP A 42 27.742 -16.186 -9.875 1.00 31.55 H new ATOM 738 N GLY A 43 18.962 -15.597 -6.073 1.00 71.34 N ATOM 739 CA GLY A 43 17.971 -14.540 -5.996 1.00 0.42 C ATOM 740 C GLY A 43 18.016 -13.614 -7.195 1.00 61.12 C ATOM 741 O GLY A 43 17.273 -13.798 -8.160 1.00 31.10 O ATOM 0 H GLY A 43 18.581 -16.532 -6.220 1.00 71.34 H new ATOM 0 HA2 GLY A 43 16.978 -14.982 -5.920 1.00 0.42 H new ATOM 0 HA3 GLY A 43 18.132 -13.960 -5.087 1.00 0.42 H new ATOM 745 N LYS A 44 18.889 -12.614 -7.136 1.00 62.25 N ATOM 746 CA LYS A 44 19.028 -11.654 -8.225 1.00 74.35 C ATOM 747 C LYS A 44 19.231 -12.369 -9.557 1.00 71.24 C ATOM 748 O LYS A 44 18.834 -11.867 -10.608 1.00 21.34 O ATOM 749 CB LYS A 44 20.206 -10.714 -7.955 1.00 21.15 C ATOM 750 CG LYS A 44 19.850 -9.536 -7.064 1.00 61.44 C ATOM 751 CD LYS A 44 21.093 -8.873 -6.495 1.00 0.02 C ATOM 752 CE LYS A 44 20.805 -8.200 -5.162 1.00 70.02 C ATOM 753 NZ LYS A 44 20.763 -9.181 -4.043 1.00 74.23 N ATOM 0 H LYS A 44 19.511 -12.447 -6.345 1.00 62.25 H new ATOM 0 HA LYS A 44 18.109 -11.070 -8.282 1.00 74.35 H new ATOM 0 HB2 LYS A 44 21.013 -11.280 -7.490 1.00 21.15 H new ATOM 0 HB3 LYS A 44 20.586 -10.339 -8.905 1.00 21.15 H new ATOM 0 HG2 LYS A 44 19.276 -8.806 -7.636 1.00 61.44 H new ATOM 0 HG3 LYS A 44 19.211 -9.875 -6.248 1.00 61.44 H new ATOM 0 HD2 LYS A 44 21.877 -9.619 -6.365 1.00 0.02 H new ATOM 0 HD3 LYS A 44 21.469 -8.134 -7.203 1.00 0.02 H new ATOM 0 HE2 LYS A 44 21.571 -7.451 -4.960 1.00 70.02 H new ATOM 0 HE3 LYS A 44 19.852 -7.674 -5.219 1.00 70.02 H new ATOM 0 HZ1 LYS A 44 20.564 -8.683 -3.152 1.00 74.23 H new ATOM 0 HZ2 LYS A 44 20.015 -9.881 -4.223 1.00 74.23 H new ATOM 0 HZ3 LYS A 44 21.680 -9.666 -3.972 1.00 74.23 H new ATOM 767 N TYR A 45 19.850 -13.544 -9.505 1.00 11.54 N ATOM 768 CA TYR A 45 20.105 -14.327 -10.709 1.00 44.12 C ATOM 769 C TYR A 45 18.822 -14.527 -11.510 1.00 71.52 C ATOM 770 O TYR A 45 18.844 -14.550 -12.741 1.00 32.54 O ATOM 771 CB TYR A 45 20.707 -15.684 -10.340 1.00 1.01 C ATOM 772 CG TYR A 45 20.898 -16.603 -11.526 1.00 71.52 C ATOM 773 CD1 TYR A 45 22.072 -16.577 -12.268 1.00 14.13 C ATOM 774 CD2 TYR A 45 19.904 -17.497 -11.904 1.00 21.43 C ATOM 775 CE1 TYR A 45 22.251 -17.414 -13.352 1.00 15.24 C ATOM 776 CE2 TYR A 45 20.074 -18.339 -12.986 1.00 55.21 C ATOM 777 CZ TYR A 45 21.250 -18.294 -13.707 1.00 0.23 C ATOM 778 OH TYR A 45 21.422 -19.130 -14.786 1.00 55.14 O ATOM 0 H TYR A 45 20.184 -13.975 -8.643 1.00 11.54 H new ATOM 0 HA TYR A 45 20.815 -13.778 -11.327 1.00 44.12 H new ATOM 0 HB2 TYR A 45 21.670 -15.525 -9.855 1.00 1.01 H new ATOM 0 HB3 TYR A 45 20.060 -16.173 -9.612 1.00 1.01 H new ATOM 0 HD1 TYR A 45 22.859 -15.890 -11.992 1.00 14.13 H new ATOM 0 HD2 TYR A 45 18.982 -17.534 -11.342 1.00 21.43 H new ATOM 0 HE1 TYR A 45 23.170 -17.380 -13.919 1.00 15.24 H new ATOM 0 HE2 TYR A 45 19.291 -19.028 -13.266 1.00 55.21 H new ATOM 0 HH TYR A 45 20.623 -19.686 -14.899 1.00 55.14 H new ATOM 788 N ARG A 46 17.706 -14.671 -10.803 1.00 41.24 N ATOM 789 CA ARG A 46 16.414 -14.870 -11.447 1.00 23.54 C ATOM 790 C ARG A 46 16.080 -13.700 -12.368 1.00 24.32 C ATOM 791 O ARG A 46 15.622 -13.894 -13.494 1.00 31.31 O ATOM 792 CB ARG A 46 15.315 -15.036 -10.396 1.00 41.15 C ATOM 793 CG ARG A 46 13.917 -15.123 -10.984 1.00 3.11 C ATOM 794 CD ARG A 46 13.256 -13.755 -11.055 1.00 42.14 C ATOM 795 NE ARG A 46 11.812 -13.834 -10.856 1.00 23.10 N ATOM 796 CZ ARG A 46 10.997 -12.791 -10.963 1.00 13.31 C ATOM 797 NH1 ARG A 46 11.482 -11.595 -11.267 1.00 0.13 N ATOM 798 NH2 ARG A 46 9.693 -12.943 -10.768 1.00 1.34 N ATOM 0 H ARG A 46 17.671 -14.654 -9.784 1.00 41.24 H new ATOM 0 HA ARG A 46 16.472 -15.778 -12.047 1.00 23.54 H new ATOM 0 HB2 ARG A 46 15.512 -15.937 -9.816 1.00 41.15 H new ATOM 0 HB3 ARG A 46 15.357 -14.195 -9.703 1.00 41.15 H new ATOM 0 HG2 ARG A 46 13.968 -15.556 -11.983 1.00 3.11 H new ATOM 0 HG3 ARG A 46 13.307 -15.792 -10.377 1.00 3.11 H new ATOM 0 HD2 ARG A 46 13.691 -13.103 -10.298 1.00 42.14 H new ATOM 0 HD3 ARG A 46 13.464 -13.302 -12.024 1.00 42.14 H new ATOM 0 HE ARG A 46 11.407 -14.740 -10.622 1.00 23.10 H new ATOM 0 HH11 ARG A 46 12.483 -11.474 -11.419 1.00 0.13 H new ATOM 0 HH12 ARG A 46 10.854 -10.796 -11.349 1.00 0.13 H new ATOM 0 HH21 ARG A 46 9.316 -13.862 -10.536 1.00 1.34 H new ATOM 0 HH22 ARG A 46 9.068 -12.141 -10.850 1.00 1.34 H new ATOM 812 N ARG A 47 16.311 -12.486 -11.880 1.00 2.53 N ATOM 813 CA ARG A 47 16.031 -11.284 -12.658 1.00 54.11 C ATOM 814 C ARG A 47 16.764 -11.321 -13.997 1.00 61.23 C ATOM 815 O ARG A 47 16.224 -10.906 -15.022 1.00 64.15 O ATOM 816 CB ARG A 47 16.442 -10.037 -11.874 1.00 73.13 C ATOM 817 CG ARG A 47 15.483 -8.869 -12.040 1.00 32.20 C ATOM 818 CD ARG A 47 14.539 -8.753 -10.854 1.00 45.20 C ATOM 819 NE ARG A 47 14.577 -7.422 -10.253 1.00 31.32 N ATOM 820 CZ ARG A 47 13.616 -6.941 -9.471 1.00 61.35 C ATOM 821 NH1 ARG A 47 12.549 -7.678 -9.197 1.00 41.31 N ATOM 822 NH2 ARG A 47 13.724 -5.721 -8.961 1.00 13.21 N ATOM 0 H ARG A 47 16.691 -12.308 -10.950 1.00 2.53 H new ATOM 0 HA ARG A 47 14.959 -11.247 -12.851 1.00 54.11 H new ATOM 0 HB2 ARG A 47 16.513 -10.290 -10.816 1.00 73.13 H new ATOM 0 HB3 ARG A 47 17.437 -9.728 -12.195 1.00 73.13 H new ATOM 0 HG2 ARG A 47 16.049 -7.944 -12.148 1.00 32.20 H new ATOM 0 HG3 ARG A 47 14.905 -8.998 -12.955 1.00 32.20 H new ATOM 0 HD2 ARG A 47 13.522 -8.976 -11.177 1.00 45.20 H new ATOM 0 HD3 ARG A 47 14.806 -9.497 -10.104 1.00 45.20 H new ATOM 0 HE ARG A 47 15.385 -6.830 -10.444 1.00 31.32 H new ATOM 0 HH11 ARG A 47 12.464 -8.617 -9.587 1.00 41.31 H new ATOM 0 HH12 ARG A 47 11.813 -7.306 -8.597 1.00 41.31 H new ATOM 0 HH21 ARG A 47 14.545 -5.152 -9.169 1.00 13.21 H new ATOM 0 HH22 ARG A 47 12.986 -5.352 -8.361 1.00 13.21 H new ATOM 836 N MET A 48 17.995 -11.820 -13.978 1.00 72.33 N ATOM 837 CA MET A 48 18.801 -11.912 -15.189 1.00 13.20 C ATOM 838 C MET A 48 19.006 -13.367 -15.598 1.00 30.34 C ATOM 839 O MET A 48 20.067 -13.737 -16.102 1.00 23.53 O ATOM 840 CB MET A 48 20.156 -11.234 -14.979 1.00 42.42 C ATOM 841 CG MET A 48 20.852 -10.851 -16.276 1.00 43.22 C ATOM 842 SD MET A 48 20.326 -9.241 -16.896 1.00 73.01 S ATOM 843 CE MET A 48 19.041 -9.725 -18.046 1.00 53.44 C ATOM 0 H MET A 48 18.456 -12.167 -13.137 1.00 72.33 H new ATOM 0 HA MET A 48 18.267 -11.400 -15.989 1.00 13.20 H new ATOM 0 HB2 MET A 48 20.015 -10.338 -14.374 1.00 42.42 H new ATOM 0 HB3 MET A 48 20.804 -11.903 -14.412 1.00 42.42 H new ATOM 0 HG2 MET A 48 21.930 -10.840 -16.116 1.00 43.22 H new ATOM 0 HG3 MET A 48 20.649 -11.611 -17.031 1.00 43.22 H new ATOM 0 HE1 MET A 48 19.266 -9.323 -19.034 1.00 53.44 H new ATOM 0 HE2 MET A 48 18.992 -10.813 -18.100 1.00 53.44 H new ATOM 0 HE3 MET A 48 18.082 -9.335 -17.705 1.00 53.44 H new ATOM 853 N LEU A 49 17.985 -14.188 -15.377 1.00 4.42 N ATOM 854 CA LEU A 49 18.052 -15.603 -15.722 1.00 31.21 C ATOM 855 C LEU A 49 17.903 -15.805 -17.226 1.00 34.12 C ATOM 856 O LEU A 49 18.238 -16.864 -17.759 1.00 10.11 O ATOM 857 CB LEU A 49 16.964 -16.382 -14.982 1.00 24.15 C ATOM 858 CG LEU A 49 15.564 -16.327 -15.595 1.00 43.32 C ATOM 859 CD1 LEU A 49 15.367 -17.469 -16.580 1.00 12.51 C ATOM 860 CD2 LEU A 49 14.502 -16.371 -14.506 1.00 40.02 C ATOM 0 H LEU A 49 17.101 -13.897 -14.960 1.00 4.42 H new ATOM 0 HA LEU A 49 19.029 -15.978 -15.418 1.00 31.21 H new ATOM 0 HB2 LEU A 49 17.271 -17.426 -14.920 1.00 24.15 H new ATOM 0 HB3 LEU A 49 16.907 -16.006 -13.961 1.00 24.15 H new ATOM 0 HG LEU A 49 15.462 -15.386 -16.136 1.00 43.32 H new ATOM 0 HD11 LEU A 49 14.365 -17.413 -17.006 1.00 12.51 H new ATOM 0 HD12 LEU A 49 16.105 -17.393 -17.378 1.00 12.51 H new ATOM 0 HD13 LEU A 49 15.489 -18.421 -16.063 1.00 12.51 H new ATOM 0 HD21 LEU A 49 13.512 -16.331 -14.961 1.00 40.02 H new ATOM 0 HD22 LEU A 49 14.603 -17.295 -13.937 1.00 40.02 H new ATOM 0 HD23 LEU A 49 14.629 -15.518 -13.839 1.00 40.02 H new ATOM 872 N LYS A 50 17.401 -14.781 -17.909 1.00 63.22 N ATOM 873 CA LYS A 50 17.210 -14.843 -19.353 1.00 74.33 C ATOM 874 C LYS A 50 18.464 -14.380 -20.087 1.00 54.25 C ATOM 875 O LYS A 50 19.379 -13.821 -19.482 1.00 72.45 O ATOM 876 CB LYS A 50 16.016 -13.981 -19.768 1.00 51.44 C ATOM 877 CG LYS A 50 14.745 -14.291 -18.996 1.00 54.51 C ATOM 878 CD LYS A 50 14.036 -15.511 -19.558 1.00 4.23 C ATOM 879 CE LYS A 50 13.067 -15.131 -20.668 1.00 4.41 C ATOM 880 NZ LYS A 50 12.626 -16.319 -21.450 1.00 24.24 N ATOM 0 H LYS A 50 17.119 -13.897 -17.485 1.00 63.22 H new ATOM 0 HA LYS A 50 17.013 -15.880 -19.624 1.00 74.33 H new ATOM 0 HB2 LYS A 50 16.270 -12.931 -19.626 1.00 51.44 H new ATOM 0 HB3 LYS A 50 15.829 -14.123 -20.832 1.00 51.44 H new ATOM 0 HG2 LYS A 50 14.988 -14.461 -17.947 1.00 54.51 H new ATOM 0 HG3 LYS A 50 14.076 -13.431 -19.033 1.00 54.51 H new ATOM 0 HD2 LYS A 50 14.773 -16.216 -19.942 1.00 4.23 H new ATOM 0 HD3 LYS A 50 13.495 -16.019 -18.759 1.00 4.23 H new ATOM 0 HE2 LYS A 50 12.197 -14.637 -20.237 1.00 4.41 H new ATOM 0 HE3 LYS A 50 13.543 -14.413 -21.336 1.00 4.41 H new ATOM 0 HZ1 LYS A 50 11.967 -16.018 -22.196 1.00 24.24 H new ATOM 0 HZ2 LYS A 50 13.454 -16.777 -21.883 1.00 24.24 H new ATOM 0 HZ3 LYS A 50 12.149 -16.993 -20.818 1.00 24.24 H new ATOM 894 N ARG A 51 18.500 -14.616 -21.395 1.00 50.23 N ATOM 895 CA ARG A 51 19.642 -14.223 -22.211 1.00 21.44 C ATOM 896 C ARG A 51 19.255 -13.121 -23.193 1.00 2.03 C ATOM 897 O ARG A 51 20.093 -12.320 -23.605 1.00 72.01 O ATOM 898 CB ARG A 51 20.191 -15.431 -22.974 1.00 53.02 C ATOM 899 CG ARG A 51 20.322 -16.681 -22.120 1.00 53.22 C ATOM 900 CD ARG A 51 21.227 -16.444 -20.920 1.00 12.22 C ATOM 901 NE ARG A 51 21.701 -17.695 -20.335 1.00 33.23 N ATOM 902 CZ ARG A 51 22.680 -18.425 -20.857 1.00 50.11 C ATOM 903 NH1 ARG A 51 23.286 -18.030 -21.968 1.00 52.24 N ATOM 904 NH2 ARG A 51 23.056 -19.552 -20.267 1.00 20.41 N ATOM 0 H ARG A 51 17.751 -15.077 -21.912 1.00 50.23 H new ATOM 0 HA ARG A 51 20.416 -13.839 -21.547 1.00 21.44 H new ATOM 0 HB2 ARG A 51 19.536 -15.645 -23.819 1.00 53.02 H new ATOM 0 HB3 ARG A 51 21.168 -15.177 -23.385 1.00 53.02 H new ATOM 0 HG2 ARG A 51 19.336 -16.994 -21.777 1.00 53.22 H new ATOM 0 HG3 ARG A 51 20.722 -17.495 -22.724 1.00 53.22 H new ATOM 0 HD2 ARG A 51 22.082 -15.840 -21.225 1.00 12.22 H new ATOM 0 HD3 ARG A 51 20.686 -15.873 -20.165 1.00 12.22 H new ATOM 0 HE ARG A 51 21.256 -18.026 -19.479 1.00 33.23 H new ATOM 0 HH11 ARG A 51 23.001 -17.163 -22.424 1.00 52.24 H new ATOM 0 HH12 ARG A 51 24.038 -18.593 -22.367 1.00 52.24 H new ATOM 0 HH21 ARG A 51 22.593 -19.859 -19.411 1.00 20.41 H new ATOM 0 HH22 ARG A 51 23.808 -20.112 -20.669 1.00 20.41 H new ATOM 918 N ALA A 52 17.979 -13.088 -23.565 1.00 72.42 N ATOM 919 CA ALA A 52 17.481 -12.085 -24.497 1.00 12.02 C ATOM 920 C ALA A 52 16.742 -10.972 -23.762 1.00 3.42 C ATOM 921 O ALA A 52 15.744 -11.218 -23.084 1.00 42.11 O ATOM 922 CB ALA A 52 16.571 -12.731 -25.531 1.00 0.11 C ATOM 0 H ALA A 52 17.272 -13.745 -23.235 1.00 72.42 H new ATOM 0 HA ALA A 52 18.337 -11.643 -25.007 1.00 12.02 H new ATOM 0 HB1 ALA A 52 16.206 -11.970 -26.221 1.00 0.11 H new ATOM 0 HB2 ALA A 52 17.129 -13.486 -26.085 1.00 0.11 H new ATOM 0 HB3 ALA A 52 15.725 -13.201 -25.029 1.00 0.11 H new ATOM 928 N LEU A 53 17.239 -9.748 -23.901 1.00 4.20 N ATOM 929 CA LEU A 53 16.626 -8.595 -23.249 1.00 24.21 C ATOM 930 C LEU A 53 16.999 -7.302 -23.965 1.00 51.44 C ATOM 931 O LEU A 53 18.164 -7.076 -24.296 1.00 2.31 O ATOM 932 CB LEU A 53 17.059 -8.523 -21.783 1.00 71.55 C ATOM 933 CG LEU A 53 16.832 -7.185 -21.081 1.00 43.31 C ATOM 934 CD1 LEU A 53 15.346 -6.871 -20.995 1.00 73.41 C ATOM 935 CD2 LEU A 53 17.458 -7.197 -19.694 1.00 62.54 C ATOM 0 H LEU A 53 18.064 -9.528 -24.459 1.00 4.20 H new ATOM 0 HA LEU A 53 15.544 -8.715 -23.296 1.00 24.21 H new ATOM 0 HB2 LEU A 53 16.526 -9.296 -21.229 1.00 71.55 H new ATOM 0 HB3 LEU A 53 18.120 -8.765 -21.726 1.00 71.55 H new ATOM 0 HG LEU A 53 17.313 -6.403 -21.668 1.00 43.31 H new ATOM 0 HD11 LEU A 53 15.205 -5.914 -20.492 1.00 73.41 H new ATOM 0 HD12 LEU A 53 14.927 -6.818 -22.000 1.00 73.41 H new ATOM 0 HD13 LEU A 53 14.840 -7.655 -20.432 1.00 73.41 H new ATOM 0 HD21 LEU A 53 17.286 -6.236 -19.209 1.00 62.54 H new ATOM 0 HD22 LEU A 53 17.007 -7.990 -19.098 1.00 62.54 H new ATOM 0 HD23 LEU A 53 18.530 -7.374 -19.780 1.00 62.54 H new ATOM 947 N LYS A 54 16.005 -6.453 -24.200 1.00 40.31 N ATOM 948 CA LYS A 54 16.228 -5.179 -24.873 1.00 33.32 C ATOM 949 C LYS A 54 16.159 -4.020 -23.884 1.00 23.21 C ATOM 950 O LYS A 54 16.796 -2.986 -24.078 1.00 33.13 O ATOM 951 CB LYS A 54 15.195 -4.978 -25.984 1.00 41.51 C ATOM 952 CG LYS A 54 13.766 -5.243 -25.541 1.00 40.12 C ATOM 953 CD LYS A 54 13.366 -6.689 -25.784 1.00 13.13 C ATOM 954 CE LYS A 54 12.768 -6.875 -27.171 1.00 55.22 C ATOM 955 NZ LYS A 54 12.739 -8.308 -27.574 1.00 73.41 N ATOM 0 H LYS A 54 15.035 -6.624 -23.934 1.00 40.31 H new ATOM 0 HA LYS A 54 17.226 -5.199 -25.312 1.00 33.32 H new ATOM 0 HB2 LYS A 54 15.268 -3.956 -26.356 1.00 41.51 H new ATOM 0 HB3 LYS A 54 15.437 -5.638 -26.817 1.00 41.51 H new ATOM 0 HG2 LYS A 54 13.663 -5.009 -24.481 1.00 40.12 H new ATOM 0 HG3 LYS A 54 13.088 -4.581 -26.080 1.00 40.12 H new ATOM 0 HD2 LYS A 54 14.239 -7.333 -25.673 1.00 13.13 H new ATOM 0 HD3 LYS A 54 12.643 -7.000 -25.030 1.00 13.13 H new ATOM 0 HE2 LYS A 54 11.755 -6.473 -27.187 1.00 55.22 H new ATOM 0 HE3 LYS A 54 13.349 -6.305 -27.896 1.00 55.22 H new ATOM 0 HZ1 LYS A 54 12.325 -8.393 -28.524 1.00 73.41 H new ATOM 0 HZ2 LYS A 54 13.708 -8.686 -27.584 1.00 73.41 H new ATOM 0 HZ3 LYS A 54 12.164 -8.848 -26.896 1.00 73.41 H new ATOM 969 N ASN A 55 15.381 -4.202 -22.821 1.00 53.50 N ATOM 970 CA ASN A 55 15.229 -3.171 -21.802 1.00 64.44 C ATOM 971 C ASN A 55 16.408 -3.187 -20.832 1.00 12.54 C ATOM 972 O ASN A 55 16.546 -4.101 -20.020 1.00 52.33 O ATOM 973 CB ASN A 55 13.921 -3.373 -21.033 1.00 63.42 C ATOM 974 CG ASN A 55 12.700 -3.082 -21.883 1.00 34.23 C ATOM 975 OD1 ASN A 55 12.588 -2.013 -22.483 1.00 54.30 O ATOM 976 ND2 ASN A 55 11.777 -4.036 -21.940 1.00 50.10 N ATOM 0 H ASN A 55 14.847 -5.053 -22.644 1.00 53.50 H new ATOM 0 HA ASN A 55 15.204 -2.203 -22.302 1.00 64.44 H new ATOM 0 HB2 ASN A 55 13.871 -4.399 -20.670 1.00 63.42 H new ATOM 0 HB3 ASN A 55 13.914 -2.724 -20.157 1.00 63.42 H new ATOM 0 HD21 ASN A 55 10.934 -3.897 -22.498 1.00 50.10 H new ATOM 0 HD22 ASN A 55 11.911 -4.907 -21.426 1.00 50.10 H new ATOM 983 N LYS A 56 17.256 -2.168 -20.925 1.00 14.34 N ATOM 984 CA LYS A 56 18.423 -2.061 -20.057 1.00 12.55 C ATOM 985 C LYS A 56 18.164 -1.084 -18.915 1.00 12.05 C ATOM 986 O LYS A 56 17.359 -0.162 -19.045 1.00 71.23 O ATOM 987 CB LYS A 56 19.644 -1.610 -20.862 1.00 23.03 C ATOM 988 CG LYS A 56 19.614 -0.138 -21.239 1.00 61.34 C ATOM 989 CD LYS A 56 20.348 0.119 -22.544 1.00 63.45 C ATOM 990 CE LYS A 56 19.460 -0.158 -23.747 1.00 42.25 C ATOM 991 NZ LYS A 56 18.409 0.884 -23.911 1.00 3.45 N ATOM 0 H LYS A 56 17.157 -1.404 -21.593 1.00 14.34 H new ATOM 0 HA LYS A 56 18.620 -3.045 -19.632 1.00 12.55 H new ATOM 0 HB2 LYS A 56 20.545 -1.810 -20.282 1.00 23.03 H new ATOM 0 HB3 LYS A 56 19.711 -2.208 -21.771 1.00 23.03 H new ATOM 0 HG2 LYS A 56 18.580 0.194 -21.331 1.00 61.34 H new ATOM 0 HG3 LYS A 56 20.068 0.452 -20.443 1.00 61.34 H new ATOM 0 HD2 LYS A 56 20.689 1.154 -22.573 1.00 63.45 H new ATOM 0 HD3 LYS A 56 21.236 -0.511 -22.593 1.00 63.45 H new ATOM 0 HE2 LYS A 56 20.072 -0.202 -24.648 1.00 42.25 H new ATOM 0 HE3 LYS A 56 18.989 -1.134 -23.634 1.00 42.25 H new ATOM 0 HZ1 LYS A 56 18.016 0.833 -24.873 1.00 3.45 H new ATOM 0 HZ2 LYS A 56 17.650 0.724 -23.218 1.00 3.45 H new ATOM 0 HZ3 LYS A 56 18.825 1.824 -23.757 1.00 3.45 H new ATOM 1005 N ASN A 57 18.853 -1.291 -17.797 1.00 2.14 N ATOM 1006 CA ASN A 57 18.698 -0.427 -16.633 1.00 23.22 C ATOM 1007 C ASN A 57 19.929 -0.498 -15.735 1.00 44.21 C ATOM 1008 O ASN A 57 20.158 -1.497 -15.053 1.00 12.33 O ATOM 1009 CB ASN A 57 17.451 -0.824 -15.840 1.00 44.43 C ATOM 1010 CG ASN A 57 17.228 -2.324 -15.826 1.00 20.01 C ATOM 1011 OD1 ASN A 57 18.154 -3.097 -15.581 1.00 64.40 O ATOM 1012 ND2 ASN A 57 15.995 -2.741 -16.090 1.00 3.10 N ATOM 0 H ASN A 57 19.524 -2.049 -17.673 1.00 2.14 H new ATOM 0 HA ASN A 57 18.586 0.598 -16.985 1.00 23.22 H new ATOM 0 HB2 ASN A 57 17.545 -0.464 -14.816 1.00 44.43 H new ATOM 0 HB3 ASN A 57 16.578 -0.334 -16.271 1.00 44.43 H new ATOM 0 HD21 ASN A 57 15.784 -3.739 -16.095 1.00 3.10 H new ATOM 0 HD22 ASN A 57 15.259 -2.063 -16.287 1.00 3.10 H new ATOM 1019 N LYS A 58 20.719 0.571 -15.740 1.00 63.34 N ATOM 1020 CA LYS A 58 21.927 0.632 -14.925 1.00 60.11 C ATOM 1021 C LYS A 58 21.649 1.318 -13.591 1.00 44.54 C ATOM 1022 O LYS A 58 22.056 0.833 -12.536 1.00 54.24 O ATOM 1023 CB LYS A 58 23.034 1.378 -15.673 1.00 15.30 C ATOM 1024 CG LYS A 58 23.842 0.491 -16.604 1.00 54.30 C ATOM 1025 CD LYS A 58 25.036 -0.124 -15.892 1.00 33.24 C ATOM 1026 CE LYS A 58 24.671 -1.447 -15.237 1.00 33.41 C ATOM 1027 NZ LYS A 58 25.856 -2.337 -15.087 1.00 52.43 N ATOM 0 H LYS A 58 20.544 1.406 -16.299 1.00 63.34 H new ATOM 0 HA LYS A 58 22.254 -0.389 -14.728 1.00 60.11 H new ATOM 0 HB2 LYS A 58 22.589 2.187 -16.251 1.00 15.30 H new ATOM 0 HB3 LYS A 58 23.706 1.837 -14.948 1.00 15.30 H new ATOM 0 HG2 LYS A 58 23.205 -0.301 -16.998 1.00 54.30 H new ATOM 0 HG3 LYS A 58 24.187 1.076 -17.457 1.00 54.30 H new ATOM 0 HD2 LYS A 58 25.846 -0.280 -16.605 1.00 33.24 H new ATOM 0 HD3 LYS A 58 25.407 0.568 -15.136 1.00 33.24 H new ATOM 0 HE2 LYS A 58 24.232 -1.258 -14.257 1.00 33.41 H new ATOM 0 HE3 LYS A 58 23.912 -1.951 -15.835 1.00 33.41 H new ATOM 0 HZ1 LYS A 58 25.566 -3.228 -14.637 1.00 52.43 H new ATOM 0 HZ2 LYS A 58 26.260 -2.538 -16.024 1.00 52.43 H new ATOM 0 HZ3 LYS A 58 26.571 -1.867 -14.495 1.00 52.43 H new ATOM 1041 N ALA A 59 20.953 2.449 -13.646 1.00 1.02 N ATOM 1042 CA ALA A 59 20.618 3.200 -12.442 1.00 31.24 C ATOM 1043 C ALA A 59 19.191 3.734 -12.507 1.00 33.43 C ATOM 1044 O ALA A 59 18.617 3.864 -13.588 1.00 4.22 O ATOM 1045 CB ALA A 59 21.602 4.342 -12.241 1.00 34.50 C ATOM 0 H ALA A 59 20.610 2.865 -14.512 1.00 1.02 H new ATOM 0 HA ALA A 59 20.686 2.523 -11.591 1.00 31.24 H new ATOM 0 HB1 ALA A 59 21.339 4.894 -11.338 1.00 34.50 H new ATOM 0 HB2 ALA A 59 22.610 3.940 -12.140 1.00 34.50 H new ATOM 0 HB3 ALA A 59 21.563 5.012 -13.100 1.00 34.50 H new ATOM 1051 N GLU A 60 18.624 4.038 -11.344 1.00 11.21 N ATOM 1052 CA GLU A 60 17.263 4.557 -11.271 1.00 71.15 C ATOM 1053 C GLU A 60 17.264 6.038 -10.904 1.00 41.00 C ATOM 1054 O GLU A 60 16.214 6.679 -10.869 1.00 74.22 O ATOM 1055 CB GLU A 60 16.447 3.766 -10.245 1.00 52.43 C ATOM 1056 CG GLU A 60 17.025 3.814 -8.840 1.00 14.35 C ATOM 1057 CD GLU A 60 18.067 2.737 -8.602 1.00 1.51 C ATOM 1058 OE1 GLU A 60 17.861 1.599 -9.073 1.00 52.43 O ATOM 1059 OE2 GLU A 60 19.086 3.033 -7.944 1.00 1.23 O ATOM 0 H GLU A 60 19.085 3.934 -10.440 1.00 11.21 H new ATOM 0 HA GLU A 60 16.805 4.445 -12.254 1.00 71.15 H new ATOM 0 HB2 GLU A 60 15.429 4.156 -10.224 1.00 52.43 H new ATOM 0 HB3 GLU A 60 16.383 2.727 -10.567 1.00 52.43 H new ATOM 0 HG2 GLU A 60 17.473 4.793 -8.669 1.00 14.35 H new ATOM 0 HG3 GLU A 60 16.219 3.701 -8.115 1.00 14.35 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.181 12.916 -4.655 1.00 14.11 ZN