USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=10 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= -0.06 X(o=-0.06,f=0) 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 -155:sc= -0.0659 (180deg=-0.886) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= -1.05 (180deg=-4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot -27:sc= 0.139 USER MOD Single : A -2 GLY N :NH3+ -171:sc=-0.00471 (180deg=-0.104) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.111 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 -160:sc= -2.74 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.238 (180deg=-0.488) USER MOD Single : A 37 SER OG : rot 180:sc= 0 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 180:sc= 0 (180deg=0) 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= 0.043 X(o=0.043,f=0.44) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.24) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 27.147 -3.973 4.662 1.00 64.35 N ATOM 2 CA GLY A -2 26.283 -2.941 4.119 1.00 2.32 C ATOM 3 C GLY A -2 24.909 -3.468 3.754 1.00 41.23 C ATOM 4 O GLY A -2 23.907 -2.770 3.911 1.00 20.41 O ATOM 0 H1 GLY A -2 28.015 -3.538 5.036 1.00 64.35 H new ATOM 0 H2 GLY A -2 26.652 -4.472 5.428 1.00 64.35 H new ATOM 0 H3 GLY A -2 27.394 -4.649 3.911 1.00 64.35 H new ATOM 0 HA2 GLY A -2 26.179 -2.138 4.848 1.00 2.32 H new ATOM 0 HA3 GLY A -2 26.750 -2.509 3.234 1.00 2.32 H new ATOM 8 N SER A -1 24.862 -4.703 3.264 1.00 61.14 N ATOM 9 CA SER A -1 23.601 -5.321 2.869 1.00 4.53 C ATOM 10 C SER A -1 22.934 -6.002 4.061 1.00 23.11 C ATOM 11 O SER A -1 21.749 -6.332 4.019 1.00 42.01 O ATOM 12 CB SER A -1 23.835 -6.338 1.751 1.00 4.15 C ATOM 13 OG SER A -1 22.615 -6.918 1.326 1.00 55.54 O ATOM 0 H SER A -1 25.682 -5.295 3.131 1.00 61.14 H new ATOM 0 HA SER A -1 22.939 -4.536 2.503 1.00 4.53 H new ATOM 0 HB2 SER A -1 24.323 -5.850 0.907 1.00 4.15 H new ATOM 0 HB3 SER A -1 24.510 -7.119 2.101 1.00 4.15 H new ATOM 0 HG SER A -1 21.972 -6.905 2.065 1.00 55.54 H new ATOM 19 N HIS A 0 23.706 -6.210 5.124 1.00 34.24 N ATOM 20 CA HIS A 0 23.191 -6.851 6.328 1.00 33.55 C ATOM 21 C HIS A 0 21.915 -6.167 6.806 1.00 71.00 C ATOM 22 O HIS A 0 20.953 -6.828 7.197 1.00 32.24 O ATOM 23 CB HIS A 0 24.245 -6.823 7.437 1.00 75.12 C ATOM 24 CG HIS A 0 23.964 -7.779 8.555 1.00 53.10 C ATOM 25 ND1 HIS A 0 24.773 -7.898 9.665 1.00 61.53 N ATOM 26 CD2 HIS A 0 22.954 -8.663 8.732 1.00 53.43 C ATOM 27 CE1 HIS A 0 24.274 -8.815 10.475 1.00 65.13 C ATOM 28 NE2 HIS A 0 23.170 -9.294 9.931 1.00 1.24 N ATOM 0 H HIS A 0 24.689 -5.944 5.175 1.00 34.24 H new ATOM 0 HA HIS A 0 22.957 -7.887 6.085 1.00 33.55 H new ATOM 0 HB2 HIS A 0 25.219 -7.056 7.007 1.00 75.12 H new ATOM 0 HB3 HIS A 0 24.308 -5.813 7.841 1.00 75.12 H new ATOM 0 HD2 HIS A 0 22.131 -8.839 8.055 1.00 53.43 H new ATOM 0 HE1 HIS A 0 24.697 -9.121 11.421 1.00 65.13 H new ATOM 0 HE2 HIS A 0 22.574 -10.016 10.336 1.00 1.24 H new ATOM 36 N MET A 1 21.914 -4.838 6.771 1.00 55.21 N ATOM 37 CA MET A 1 20.754 -4.065 7.199 1.00 3.42 C ATOM 38 C MET A 1 19.605 -4.211 6.207 1.00 11.34 C ATOM 39 O MET A 1 19.767 -3.961 5.014 1.00 72.35 O ATOM 40 CB MET A 1 21.128 -2.588 7.351 1.00 54.52 C ATOM 41 CG MET A 1 21.641 -2.230 8.736 1.00 62.14 C ATOM 42 SD MET A 1 21.179 -0.562 9.238 1.00 3.45 S ATOM 43 CE MET A 1 22.677 0.339 8.846 1.00 54.11 C ATOM 0 H MET A 1 22.702 -4.275 6.451 1.00 55.21 H new ATOM 0 HA MET A 1 20.427 -4.452 8.164 1.00 3.42 H new ATOM 0 HB2 MET A 1 21.891 -2.337 6.614 1.00 54.52 H new ATOM 0 HB3 MET A 1 20.255 -1.976 7.127 1.00 54.52 H new ATOM 0 HG2 MET A 1 21.250 -2.945 9.460 1.00 62.14 H new ATOM 0 HG3 MET A 1 22.727 -2.322 8.752 1.00 62.14 H new ATOM 0 HE1 MET A 1 22.546 1.391 9.101 1.00 54.11 H new ATOM 0 HE2 MET A 1 23.509 -0.073 9.417 1.00 54.11 H new ATOM 0 HE3 MET A 1 22.888 0.248 7.781 1.00 54.11 H new ATOM 53 N VAL A 2 18.444 -4.620 6.710 1.00 54.44 N ATOM 54 CA VAL A 2 17.267 -4.800 5.868 1.00 22.11 C ATOM 55 C VAL A 2 16.338 -3.595 5.958 1.00 13.23 C ATOM 56 O VAL A 2 16.185 -2.995 7.021 1.00 20.13 O ATOM 57 CB VAL A 2 16.486 -6.068 6.258 1.00 2.44 C ATOM 58 CG1 VAL A 2 15.394 -6.358 5.240 1.00 62.02 C ATOM 59 CG2 VAL A 2 17.429 -7.254 6.393 1.00 2.45 C ATOM 0 H VAL A 2 18.294 -4.833 7.696 1.00 54.44 H new ATOM 0 HA VAL A 2 17.624 -4.904 4.843 1.00 22.11 H new ATOM 0 HB VAL A 2 16.012 -5.898 7.225 1.00 2.44 H new ATOM 0 HG11 VAL A 2 14.853 -7.258 5.533 1.00 62.02 H new ATOM 0 HG12 VAL A 2 14.703 -5.516 5.198 1.00 62.02 H new ATOM 0 HG13 VAL A 2 15.843 -6.508 4.258 1.00 62.02 H new ATOM 0 HG21 VAL A 2 16.860 -8.142 6.669 1.00 2.45 H new ATOM 0 HG22 VAL A 2 17.934 -7.428 5.443 1.00 2.45 H new ATOM 0 HG23 VAL A 2 18.170 -7.044 7.164 1.00 2.45 H new ATOM 69 N GLU A 3 15.717 -3.247 4.834 1.00 3.32 N ATOM 70 CA GLU A 3 14.802 -2.113 4.788 1.00 2.41 C ATOM 71 C GLU A 3 13.361 -2.568 4.995 1.00 75.13 C ATOM 72 O GLU A 3 12.794 -3.268 4.156 1.00 13.54 O ATOM 73 CB GLU A 3 14.930 -1.381 3.450 1.00 45.10 C ATOM 74 CG GLU A 3 16.310 -0.793 3.208 1.00 51.12 C ATOM 75 CD GLU A 3 16.481 0.575 3.840 1.00 12.11 C ATOM 76 OE1 GLU A 3 15.786 1.518 3.410 1.00 44.34 O ATOM 77 OE2 GLU A 3 17.310 0.700 4.766 1.00 55.34 O ATOM 0 H GLU A 3 15.831 -3.734 3.945 1.00 3.32 H new ATOM 0 HA GLU A 3 15.069 -1.430 5.595 1.00 2.41 H new ATOM 0 HB2 GLU A 3 14.693 -2.073 2.642 1.00 45.10 H new ATOM 0 HB3 GLU A 3 14.191 -0.581 3.411 1.00 45.10 H new ATOM 0 HG2 GLU A 3 17.065 -1.470 3.608 1.00 51.12 H new ATOM 0 HG3 GLU A 3 16.486 -0.718 2.135 1.00 51.12 H new ATOM 84 N MET A 4 12.775 -2.166 6.117 1.00 11.54 N ATOM 85 CA MET A 4 11.399 -2.532 6.435 1.00 14.52 C ATOM 86 C MET A 4 10.465 -2.192 5.278 1.00 72.03 C ATOM 87 O MET A 4 10.646 -1.181 4.598 1.00 12.52 O ATOM 88 CB MET A 4 10.938 -1.814 7.705 1.00 2.53 C ATOM 89 CG MET A 4 10.627 -0.342 7.492 1.00 11.43 C ATOM 90 SD MET A 4 10.977 0.661 8.949 1.00 12.24 S ATOM 91 CE MET A 4 12.262 1.737 8.319 1.00 50.24 C ATOM 0 H MET A 4 13.231 -1.587 6.822 1.00 11.54 H new ATOM 0 HA MET A 4 11.365 -3.609 6.602 1.00 14.52 H new ATOM 0 HB2 MET A 4 10.049 -2.312 8.092 1.00 2.53 H new ATOM 0 HB3 MET A 4 11.712 -1.907 8.466 1.00 2.53 H new ATOM 0 HG2 MET A 4 11.211 0.031 6.651 1.00 11.43 H new ATOM 0 HG3 MET A 4 9.576 -0.232 7.224 1.00 11.43 H new ATOM 0 HE1 MET A 4 12.584 2.419 9.106 1.00 50.24 H new ATOM 0 HE2 MET A 4 13.110 1.137 7.989 1.00 50.24 H new ATOM 0 HE3 MET A 4 11.875 2.312 7.477 1.00 50.24 H new ATOM 101 N ARG A 5 9.468 -3.043 5.059 1.00 62.22 N ATOM 102 CA ARG A 5 8.507 -2.834 3.983 1.00 43.34 C ATOM 103 C ARG A 5 7.895 -1.437 4.064 1.00 21.32 C ATOM 104 O ARG A 5 7.857 -0.828 5.133 1.00 51.34 O ATOM 105 CB ARG A 5 7.403 -3.890 4.043 1.00 52.11 C ATOM 106 CG ARG A 5 6.288 -3.552 5.020 1.00 64.23 C ATOM 107 CD ARG A 5 6.807 -3.457 6.446 1.00 20.12 C ATOM 108 NE ARG A 5 7.425 -4.705 6.887 1.00 70.30 N ATOM 109 CZ ARG A 5 6.739 -5.812 7.150 1.00 55.45 C ATOM 110 NH1 ARG A 5 5.420 -5.826 7.016 1.00 62.10 N ATOM 111 NH2 ARG A 5 7.373 -6.908 7.547 1.00 54.42 N ATOM 0 H ARG A 5 9.305 -3.884 5.613 1.00 62.22 H new ATOM 0 HA ARG A 5 9.036 -2.926 3.035 1.00 43.34 H new ATOM 0 HB2 ARG A 5 6.977 -4.015 3.048 1.00 52.11 H new ATOM 0 HB3 ARG A 5 7.843 -4.847 4.324 1.00 52.11 H new ATOM 0 HG2 ARG A 5 5.828 -2.606 4.735 1.00 64.23 H new ATOM 0 HG3 ARG A 5 5.511 -4.314 4.965 1.00 64.23 H new ATOM 0 HD2 ARG A 5 7.535 -2.648 6.514 1.00 20.12 H new ATOM 0 HD3 ARG A 5 5.985 -3.203 7.115 1.00 20.12 H new ATOM 0 HE ARG A 5 8.439 -4.728 6.999 1.00 70.30 H new ATOM 0 HH11 ARG A 5 4.929 -4.986 6.710 1.00 62.10 H new ATOM 0 HH12 ARG A 5 4.896 -6.677 7.219 1.00 62.10 H new ATOM 0 HH21 ARG A 5 8.388 -6.901 7.650 1.00 54.42 H new ATOM 0 HH22 ARG A 5 6.846 -7.757 7.749 1.00 54.42 H new ATOM 125 N MET A 6 7.418 -0.939 2.928 1.00 1.33 N ATOM 126 CA MET A 6 6.808 0.384 2.872 1.00 64.02 C ATOM 127 C MET A 6 6.227 0.656 1.489 1.00 54.33 C ATOM 128 O MET A 6 6.127 -0.246 0.657 1.00 25.12 O ATOM 129 CB MET A 6 7.836 1.460 3.226 1.00 30.24 C ATOM 130 CG MET A 6 8.889 1.672 2.150 1.00 52.42 C ATOM 131 SD MET A 6 10.513 2.055 2.832 1.00 44.20 S ATOM 132 CE MET A 6 10.077 3.252 4.092 1.00 21.45 C ATOM 0 H MET A 6 7.442 -1.431 2.035 1.00 1.33 H new ATOM 0 HA MET A 6 5.997 0.413 3.600 1.00 64.02 H new ATOM 0 HB2 MET A 6 7.317 2.402 3.406 1.00 30.24 H new ATOM 0 HB3 MET A 6 8.331 1.186 4.158 1.00 30.24 H new ATOM 0 HG2 MET A 6 8.960 0.775 1.535 1.00 52.42 H new ATOM 0 HG3 MET A 6 8.574 2.484 1.494 1.00 52.42 H new ATOM 0 HE1 MET A 6 10.932 3.898 4.292 1.00 21.45 H new ATOM 0 HE2 MET A 6 9.239 3.856 3.745 1.00 21.45 H new ATOM 0 HE3 MET A 6 9.795 2.731 5.007 1.00 21.45 H new ATOM 142 N LYS A 7 5.842 1.905 1.248 1.00 2.25 N ATOM 143 CA LYS A 7 5.271 2.297 -0.035 1.00 54.20 C ATOM 144 C LYS A 7 6.003 3.505 -0.610 1.00 51.20 C ATOM 145 O LYS A 7 6.887 4.072 0.032 1.00 1.15 O ATOM 146 CB LYS A 7 3.783 2.618 0.123 1.00 35.13 C ATOM 147 CG LYS A 7 3.484 3.578 1.261 1.00 71.14 C ATOM 148 CD LYS A 7 2.148 3.269 1.916 1.00 73.23 C ATOM 149 CE LYS A 7 1.004 3.352 0.916 1.00 65.43 C ATOM 150 NZ LYS A 7 -0.308 3.047 1.548 1.00 15.21 N ATOM 0 H LYS A 7 5.915 2.664 1.926 1.00 2.25 H new ATOM 0 HA LYS A 7 5.386 1.462 -0.726 1.00 54.20 H new ATOM 0 HB2 LYS A 7 3.412 3.045 -0.808 1.00 35.13 H new ATOM 0 HB3 LYS A 7 3.236 1.690 0.289 1.00 35.13 H new ATOM 0 HG2 LYS A 7 4.278 3.519 2.006 1.00 71.14 H new ATOM 0 HG3 LYS A 7 3.477 4.600 0.883 1.00 71.14 H new ATOM 0 HD2 LYS A 7 2.178 2.271 2.354 1.00 73.23 H new ATOM 0 HD3 LYS A 7 1.971 3.970 2.732 1.00 73.23 H new ATOM 0 HE2 LYS A 7 0.974 4.351 0.481 1.00 65.43 H new ATOM 0 HE3 LYS A 7 1.185 2.654 0.099 1.00 65.43 H new ATOM 0 HZ1 LYS A 7 -0.826 2.363 0.960 1.00 15.21 H new ATOM 0 HZ2 LYS A 7 -0.152 2.643 2.494 1.00 15.21 H new ATOM 0 HZ3 LYS A 7 -0.864 3.922 1.632 1.00 15.21 H new ATOM 164 N LYS A 8 5.629 3.895 -1.824 1.00 31.11 N ATOM 165 CA LYS A 8 6.248 5.037 -2.486 1.00 50.11 C ATOM 166 C LYS A 8 5.227 5.798 -3.325 1.00 51.42 C ATOM 167 O LYS A 8 4.279 5.212 -3.849 1.00 41.33 O ATOM 168 CB LYS A 8 7.407 4.574 -3.370 1.00 74.52 C ATOM 169 CG LYS A 8 8.216 5.716 -3.961 1.00 61.30 C ATOM 170 CD LYS A 8 9.206 5.219 -5.001 1.00 74.42 C ATOM 171 CE LYS A 8 8.510 4.841 -6.299 1.00 55.42 C ATOM 172 NZ LYS A 8 9.373 3.996 -7.168 1.00 25.42 N ATOM 0 H LYS A 8 4.899 3.436 -2.370 1.00 31.11 H new ATOM 0 HA LYS A 8 6.632 5.707 -1.717 1.00 50.11 H new ATOM 0 HB2 LYS A 8 8.069 3.937 -2.783 1.00 74.52 H new ATOM 0 HB3 LYS A 8 7.012 3.962 -4.181 1.00 74.52 H new ATOM 0 HG2 LYS A 8 7.543 6.442 -4.416 1.00 61.30 H new ATOM 0 HG3 LYS A 8 8.752 6.233 -3.165 1.00 61.30 H new ATOM 0 HD2 LYS A 8 9.948 5.993 -5.197 1.00 74.42 H new ATOM 0 HD3 LYS A 8 9.743 4.355 -4.610 1.00 74.42 H new ATOM 0 HE2 LYS A 8 7.588 4.306 -6.073 1.00 55.42 H new ATOM 0 HE3 LYS A 8 8.229 5.746 -6.837 1.00 55.42 H new ATOM 0 HZ1 LYS A 8 8.861 3.761 -8.042 1.00 25.42 H new ATOM 0 HZ2 LYS A 8 10.242 4.516 -7.405 1.00 25.42 H new ATOM 0 HZ3 LYS A 8 9.620 3.120 -6.665 1.00 25.42 H new ATOM 186 N CYS A 9 5.427 7.106 -3.450 1.00 61.20 N ATOM 187 CA CYS A 9 4.524 7.946 -4.227 1.00 45.23 C ATOM 188 C CYS A 9 4.696 7.694 -5.722 1.00 73.41 C ATOM 189 O CYS A 9 5.756 7.936 -6.300 1.00 2.24 O ATOM 190 CB CYS A 9 4.774 9.424 -3.916 1.00 35.21 C ATOM 191 SG CYS A 9 3.599 10.552 -4.699 1.00 51.32 S ATOM 0 H CYS A 9 6.206 7.607 -3.023 1.00 61.20 H new ATOM 0 HA CYS A 9 3.502 7.690 -3.949 1.00 45.23 H new ATOM 0 HB2 CYS A 9 4.736 9.569 -2.836 1.00 35.21 H new ATOM 0 HB3 CYS A 9 5.782 9.686 -4.237 1.00 35.21 H new ATOM 196 N PRO A 10 3.630 7.194 -6.364 1.00 70.50 N ATOM 197 CA PRO A 10 3.638 6.895 -7.799 1.00 51.25 C ATOM 198 C PRO A 10 3.682 8.158 -8.653 1.00 71.41 C ATOM 199 O PRO A 10 3.806 8.088 -9.876 1.00 44.31 O ATOM 200 CB PRO A 10 2.319 6.150 -8.014 1.00 12.32 C ATOM 201 CG PRO A 10 1.433 6.624 -6.914 1.00 35.24 C ATOM 202 CD PRO A 10 2.334 6.880 -5.738 1.00 63.54 C ATOM 0 HA PRO A 10 4.518 6.323 -8.091 1.00 51.25 H new ATOM 0 HB2 PRO A 10 1.892 6.375 -8.991 1.00 12.32 H new ATOM 0 HB3 PRO A 10 2.462 5.070 -7.970 1.00 12.32 H new ATOM 0 HG2 PRO A 10 0.902 7.531 -7.204 1.00 35.24 H new ATOM 0 HG3 PRO A 10 0.678 5.876 -6.672 1.00 35.24 H new ATOM 0 HD2 PRO A 10 1.972 7.707 -5.127 1.00 63.54 H new ATOM 0 HD3 PRO A 10 2.403 6.008 -5.087 1.00 63.54 H new ATOM 210 N LYS A 11 3.581 9.311 -8.001 1.00 52.00 N ATOM 211 CA LYS A 11 3.612 10.591 -8.701 1.00 12.35 C ATOM 212 C LYS A 11 5.020 11.177 -8.702 1.00 15.13 C ATOM 213 O LYS A 11 5.499 11.661 -9.728 1.00 32.23 O ATOM 214 CB LYS A 11 2.639 11.575 -8.047 1.00 1.55 C ATOM 215 CG LYS A 11 1.396 11.844 -8.877 1.00 21.12 C ATOM 216 CD LYS A 11 0.509 10.614 -8.966 1.00 14.15 C ATOM 217 CE LYS A 11 -0.566 10.778 -10.029 1.00 61.34 C ATOM 218 NZ LYS A 11 -1.626 11.735 -9.604 1.00 73.54 N ATOM 0 H LYS A 11 3.477 9.386 -6.989 1.00 52.00 H new ATOM 0 HA LYS A 11 3.309 10.420 -9.734 1.00 12.35 H new ATOM 0 HB2 LYS A 11 2.339 11.184 -7.075 1.00 1.55 H new ATOM 0 HB3 LYS A 11 3.156 12.518 -7.866 1.00 1.55 H new ATOM 0 HG2 LYS A 11 0.834 12.668 -8.436 1.00 21.12 H new ATOM 0 HG3 LYS A 11 1.687 12.157 -9.880 1.00 21.12 H new ATOM 0 HD2 LYS A 11 1.119 9.740 -9.196 1.00 14.15 H new ATOM 0 HD3 LYS A 11 0.041 10.431 -7.999 1.00 14.15 H new ATOM 0 HE2 LYS A 11 -0.110 11.129 -10.955 1.00 61.34 H new ATOM 0 HE3 LYS A 11 -1.016 9.809 -10.242 1.00 61.34 H new ATOM 0 HZ1 LYS A 11 -2.340 11.819 -10.356 1.00 73.54 H new ATOM 0 HZ2 LYS A 11 -2.079 11.388 -8.734 1.00 73.54 H new ATOM 0 HZ3 LYS A 11 -1.201 12.667 -9.425 1.00 73.54 H new ATOM 232 N CYS A 12 5.678 11.127 -7.549 1.00 32.40 N ATOM 233 CA CYS A 12 7.032 11.652 -7.419 1.00 5.34 C ATOM 234 C CYS A 12 8.044 10.518 -7.288 1.00 5.20 C ATOM 235 O CYS A 12 8.982 10.417 -8.078 1.00 25.13 O ATOM 236 CB CYS A 12 7.128 12.579 -6.206 1.00 53.04 C ATOM 237 SG CYS A 12 5.732 13.716 -6.034 1.00 73.43 S ATOM 0 H CYS A 12 5.296 10.728 -6.691 1.00 32.40 H new ATOM 0 HA CYS A 12 7.263 12.220 -8.320 1.00 5.34 H new ATOM 0 HB2 CYS A 12 7.202 11.972 -5.303 1.00 53.04 H new ATOM 0 HB3 CYS A 12 8.048 13.159 -6.277 1.00 53.04 H new ATOM 242 N GLY A 13 7.849 9.669 -6.284 1.00 32.21 N ATOM 243 CA GLY A 13 8.753 8.555 -6.068 1.00 5.41 C ATOM 244 C GLY A 13 9.397 8.591 -4.696 1.00 20.35 C ATOM 245 O GLY A 13 10.508 8.092 -4.510 1.00 23.51 O ATOM 0 H GLY A 13 7.081 9.733 -5.616 1.00 32.21 H new ATOM 0 HA2 GLY A 13 8.207 7.619 -6.185 1.00 5.41 H new ATOM 0 HA3 GLY A 13 9.531 8.568 -6.832 1.00 5.41 H new ATOM 249 N LEU A 14 8.700 9.181 -3.732 1.00 44.31 N ATOM 250 CA LEU A 14 9.211 9.281 -2.369 1.00 33.13 C ATOM 251 C LEU A 14 8.735 8.105 -1.521 1.00 71.00 C ATOM 252 O LEU A 14 7.548 7.778 -1.506 1.00 4.32 O ATOM 253 CB LEU A 14 8.765 10.598 -1.731 1.00 24.33 C ATOM 254 CG LEU A 14 8.723 10.623 -0.203 1.00 12.14 C ATOM 255 CD1 LEU A 14 10.110 10.384 0.374 1.00 73.34 C ATOM 256 CD2 LEU A 14 8.158 11.946 0.293 1.00 10.13 C ATOM 0 H LEU A 14 7.779 9.598 -3.868 1.00 44.31 H new ATOM 0 HA LEU A 14 10.300 9.256 -2.413 1.00 33.13 H new ATOM 0 HB2 LEU A 14 9.436 11.388 -2.069 1.00 24.33 H new ATOM 0 HB3 LEU A 14 7.771 10.842 -2.106 1.00 24.33 H new ATOM 0 HG LEU A 14 8.068 9.820 0.136 1.00 12.14 H new ATOM 0 HD11 LEU A 14 10.060 10.405 1.463 1.00 73.34 H new ATOM 0 HD12 LEU A 14 10.478 9.411 0.047 1.00 73.34 H new ATOM 0 HD13 LEU A 14 10.788 11.164 0.027 1.00 73.34 H new ATOM 0 HD21 LEU A 14 8.135 11.946 1.383 1.00 10.13 H new ATOM 0 HD22 LEU A 14 8.787 12.764 -0.057 1.00 10.13 H new ATOM 0 HD23 LEU A 14 7.146 12.076 -0.091 1.00 10.13 H new ATOM 268 N TYR A 15 9.669 7.476 -0.816 1.00 14.32 N ATOM 269 CA TYR A 15 9.344 6.336 0.034 1.00 72.30 C ATOM 270 C TYR A 15 8.842 6.800 1.399 1.00 75.42 C ATOM 271 O TYR A 15 9.307 7.806 1.936 1.00 33.04 O ATOM 272 CB TYR A 15 10.570 5.438 0.208 1.00 21.41 C ATOM 273 CG TYR A 15 10.791 4.486 -0.946 1.00 33.42 C ATOM 274 CD1 TYR A 15 10.135 3.262 -0.998 1.00 72.11 C ATOM 275 CD2 TYR A 15 11.656 4.810 -1.984 1.00 3.32 C ATOM 276 CE1 TYR A 15 10.336 2.389 -2.050 1.00 50.22 C ATOM 277 CE2 TYR A 15 11.861 3.944 -3.040 1.00 41.05 C ATOM 278 CZ TYR A 15 11.199 2.735 -3.069 1.00 3.33 C ATOM 279 OH TYR A 15 11.400 1.869 -4.118 1.00 73.02 O ATOM 0 H TYR A 15 10.655 7.735 -0.816 1.00 14.32 H new ATOM 0 HA TYR A 15 8.551 5.767 -0.451 1.00 72.30 H new ATOM 0 HB2 TYR A 15 11.455 6.064 0.327 1.00 21.41 H new ATOM 0 HB3 TYR A 15 10.461 4.863 1.127 1.00 21.41 H new ATOM 0 HD1 TYR A 15 9.457 2.989 -0.203 1.00 72.11 H new ATOM 0 HD2 TYR A 15 12.177 5.756 -1.965 1.00 3.32 H new ATOM 0 HE1 TYR A 15 9.820 1.441 -2.074 1.00 50.22 H new ATOM 0 HE2 TYR A 15 12.536 4.212 -3.839 1.00 41.05 H new ATOM 0 HH TYR A 15 12.036 2.264 -4.751 1.00 73.02 H new ATOM 289 N THR A 16 7.888 6.058 1.954 1.00 62.41 N ATOM 290 CA THR A 16 7.322 6.391 3.255 1.00 42.32 C ATOM 291 C THR A 16 6.336 5.324 3.714 1.00 13.34 C ATOM 292 O THR A 16 6.109 4.332 3.020 1.00 62.43 O ATOM 293 CB THR A 16 6.606 7.755 3.223 1.00 52.12 C ATOM 294 OG1 THR A 16 6.216 8.136 4.547 1.00 32.43 O ATOM 295 CG2 THR A 16 5.380 7.702 2.324 1.00 21.22 C ATOM 0 H THR A 16 7.492 5.223 1.523 1.00 62.41 H new ATOM 0 HA THR A 16 8.153 6.441 3.958 1.00 42.32 H new ATOM 0 HB THR A 16 7.300 8.494 2.822 1.00 52.12 H new ATOM 0 HG1 THR A 16 5.763 9.005 4.517 1.00 32.43 H new ATOM 0 HG21 THR A 16 4.891 8.676 2.317 1.00 21.22 H new ATOM 0 HG22 THR A 16 5.683 7.441 1.310 1.00 21.22 H new ATOM 0 HG23 THR A 16 4.686 6.950 2.700 1.00 21.22 H new ATOM 303 N LEU A 17 5.751 5.532 4.889 1.00 61.41 N ATOM 304 CA LEU A 17 4.788 4.587 5.442 1.00 34.32 C ATOM 305 C LEU A 17 3.527 5.306 5.911 1.00 12.24 C ATOM 306 O LEU A 17 2.623 4.690 6.478 1.00 40.34 O ATOM 307 CB LEU A 17 5.412 3.814 6.606 1.00 10.05 C ATOM 308 CG LEU A 17 6.362 2.678 6.226 1.00 42.24 C ATOM 309 CD1 LEU A 17 7.427 2.493 7.295 1.00 34.54 C ATOM 310 CD2 LEU A 17 5.590 1.386 6.010 1.00 55.25 C ATOM 0 H LEU A 17 5.927 6.347 5.477 1.00 61.41 H new ATOM 0 HA LEU A 17 4.512 3.885 4.655 1.00 34.32 H new ATOM 0 HB2 LEU A 17 5.955 4.520 7.235 1.00 10.05 H new ATOM 0 HB3 LEU A 17 4.607 3.400 7.213 1.00 10.05 H new ATOM 0 HG LEU A 17 6.857 2.942 5.291 1.00 42.24 H new ATOM 0 HD11 LEU A 17 8.094 1.680 7.007 1.00 34.54 H new ATOM 0 HD12 LEU A 17 8.001 3.414 7.400 1.00 34.54 H new ATOM 0 HD13 LEU A 17 6.951 2.252 8.245 1.00 34.54 H new ATOM 0 HD21 LEU A 17 6.283 0.589 5.740 1.00 55.25 H new ATOM 0 HD22 LEU A 17 5.067 1.117 6.928 1.00 55.25 H new ATOM 0 HD23 LEU A 17 4.866 1.525 5.207 1.00 55.25 H new ATOM 322 N LYS A 18 3.473 6.611 5.672 1.00 53.14 N ATOM 323 CA LYS A 18 2.322 7.414 6.066 1.00 42.41 C ATOM 324 C LYS A 18 1.187 7.270 5.058 1.00 50.32 C ATOM 325 O LYS A 18 0.121 7.865 5.221 1.00 61.44 O ATOM 326 CB LYS A 18 2.722 8.887 6.192 1.00 51.02 C ATOM 327 CG LYS A 18 3.536 9.191 7.437 1.00 43.40 C ATOM 328 CD LYS A 18 2.646 9.596 8.600 1.00 1.03 C ATOM 329 CE LYS A 18 2.008 10.958 8.366 1.00 34.23 C ATOM 330 NZ LYS A 18 1.607 11.608 9.644 1.00 60.14 N ATOM 0 H LYS A 18 4.214 7.136 5.207 1.00 53.14 H new ATOM 0 HA LYS A 18 1.973 7.053 7.034 1.00 42.41 H new ATOM 0 HB2 LYS A 18 3.298 9.175 5.312 1.00 51.02 H new ATOM 0 HB3 LYS A 18 1.821 9.500 6.198 1.00 51.02 H new ATOM 0 HG2 LYS A 18 4.121 8.314 7.714 1.00 43.40 H new ATOM 0 HG3 LYS A 18 4.244 9.992 7.223 1.00 43.40 H new ATOM 0 HD2 LYS A 18 1.866 8.847 8.741 1.00 1.03 H new ATOM 0 HD3 LYS A 18 3.234 9.621 9.518 1.00 1.03 H new ATOM 0 HE2 LYS A 18 2.710 11.602 7.835 1.00 34.23 H new ATOM 0 HE3 LYS A 18 1.133 10.844 7.726 1.00 34.23 H new ATOM 0 HZ1 LYS A 18 1.177 12.533 9.443 1.00 60.14 H new ATOM 0 HZ2 LYS A 18 0.918 11.006 10.139 1.00 60.14 H new ATOM 0 HZ3 LYS A 18 2.446 11.740 10.245 1.00 60.14 H new ATOM 344 N GLU A 19 1.421 6.476 4.018 1.00 23.53 N ATOM 345 CA GLU A 19 0.417 6.253 2.985 1.00 42.23 C ATOM 346 C GLU A 19 0.098 7.551 2.249 1.00 54.42 C ATOM 347 O GLU A 19 -0.855 7.617 1.471 1.00 61.03 O ATOM 348 CB GLU A 19 -0.860 5.676 3.600 1.00 11.20 C ATOM 349 CG GLU A 19 -0.625 4.419 4.420 1.00 34.21 C ATOM 350 CD GLU A 19 -1.692 3.365 4.190 1.00 23.53 C ATOM 351 OE1 GLU A 19 -2.872 3.739 4.033 1.00 32.55 O ATOM 352 OE2 GLU A 19 -1.344 2.165 4.166 1.00 5.30 O ATOM 0 H GLU A 19 2.298 5.976 3.869 1.00 23.53 H new ATOM 0 HA GLU A 19 0.822 5.538 2.268 1.00 42.23 H new ATOM 0 HB2 GLU A 19 -1.322 6.433 4.234 1.00 11.20 H new ATOM 0 HB3 GLU A 19 -1.569 5.453 2.803 1.00 11.20 H new ATOM 0 HG2 GLU A 19 0.351 4.003 4.170 1.00 34.21 H new ATOM 0 HG3 GLU A 19 -0.599 4.679 5.478 1.00 34.21 H new ATOM 359 N ILE A 20 0.899 8.580 2.500 1.00 1.25 N ATOM 360 CA ILE A 20 0.703 9.876 1.861 1.00 14.42 C ATOM 361 C ILE A 20 2.038 10.546 1.557 1.00 73.04 C ATOM 362 O ILE A 20 2.999 10.411 2.314 1.00 2.12 O ATOM 363 CB ILE A 20 -0.142 10.815 2.742 1.00 51.21 C ATOM 364 CG1 ILE A 20 -1.486 10.166 3.075 1.00 14.31 C ATOM 365 CG2 ILE A 20 -0.351 12.150 2.042 1.00 0.31 C ATOM 366 CD1 ILE A 20 -2.405 10.031 1.881 1.00 13.42 C ATOM 0 H ILE A 20 1.691 8.542 3.142 1.00 1.25 H new ATOM 0 HA ILE A 20 0.172 9.691 0.927 1.00 14.42 H new ATOM 0 HB ILE A 20 0.393 10.995 3.674 1.00 51.21 H new ATOM 0 HG12 ILE A 20 -1.308 9.178 3.499 1.00 14.31 H new ATOM 0 HG13 ILE A 20 -1.985 10.757 3.842 1.00 14.31 H new ATOM 0 HG21 ILE A 20 -0.950 12.804 2.676 1.00 0.31 H new ATOM 0 HG22 ILE A 20 0.616 12.616 1.851 1.00 0.31 H new ATOM 0 HG23 ILE A 20 -0.869 11.988 1.097 1.00 0.31 H new ATOM 0 HD11 ILE A 20 -3.339 9.563 2.192 1.00 13.42 H new ATOM 0 HD12 ILE A 20 -2.614 11.018 1.469 1.00 13.42 H new ATOM 0 HD13 ILE A 20 -1.926 9.414 1.121 1.00 13.42 H new ATOM 378 N CYS A 21 2.089 11.270 0.445 1.00 43.11 N ATOM 379 CA CYS A 21 3.307 11.965 0.040 1.00 54.13 C ATOM 380 C CYS A 21 3.344 13.378 0.613 1.00 35.33 C ATOM 381 O CYS A 21 2.568 14.251 0.228 1.00 51.44 O ATOM 382 CB CYS A 21 3.406 12.018 -1.486 1.00 14.10 C ATOM 383 SG CYS A 21 4.869 12.882 -2.101 1.00 61.24 S ATOM 0 H CYS A 21 1.302 11.392 -0.193 1.00 43.11 H new ATOM 0 HA CYS A 21 4.159 11.411 0.433 1.00 54.13 H new ATOM 0 HB2 CYS A 21 3.408 11.000 -1.875 1.00 14.10 H new ATOM 0 HB3 CYS A 21 2.516 12.508 -1.880 1.00 14.10 H new ATOM 388 N PRO A 22 4.267 13.608 1.559 1.00 1.31 N ATOM 389 CA PRO A 22 4.428 14.913 2.207 1.00 51.41 C ATOM 390 C PRO A 22 4.993 15.966 1.260 1.00 55.35 C ATOM 391 O PRO A 22 5.076 17.145 1.604 1.00 61.51 O ATOM 392 CB PRO A 22 5.416 14.628 3.341 1.00 73.21 C ATOM 393 CG PRO A 22 6.186 13.437 2.881 1.00 51.32 C ATOM 394 CD PRO A 22 5.227 12.613 2.067 1.00 15.23 C ATOM 0 HA PRO A 22 3.475 15.319 2.546 1.00 51.41 H new ATOM 0 HB2 PRO A 22 6.072 15.480 3.518 1.00 73.21 H new ATOM 0 HB3 PRO A 22 4.896 14.426 4.278 1.00 73.21 H new ATOM 0 HG2 PRO A 22 7.048 13.736 2.284 1.00 51.32 H new ATOM 0 HG3 PRO A 22 6.568 12.868 3.729 1.00 51.32 H new ATOM 0 HD2 PRO A 22 5.734 12.093 1.254 1.00 15.23 H new ATOM 0 HD3 PRO A 22 4.735 11.853 2.674 1.00 15.23 H new ATOM 402 N LYS A 23 5.380 15.532 0.064 1.00 3.42 N ATOM 403 CA LYS A 23 5.936 16.438 -0.934 1.00 31.44 C ATOM 404 C LYS A 23 4.826 17.152 -1.699 1.00 74.11 C ATOM 405 O LYS A 23 4.737 18.380 -1.678 1.00 41.22 O ATOM 406 CB LYS A 23 6.827 15.666 -1.911 1.00 12.13 C ATOM 407 CG LYS A 23 8.209 16.273 -2.081 1.00 62.41 C ATOM 408 CD LYS A 23 9.248 15.212 -2.404 1.00 43.11 C ATOM 409 CE LYS A 23 10.501 15.385 -1.560 1.00 10.13 C ATOM 410 NZ LYS A 23 11.294 16.573 -1.980 1.00 23.51 N ATOM 0 H LYS A 23 5.319 14.559 -0.237 1.00 3.42 H new ATOM 0 HA LYS A 23 6.536 17.186 -0.416 1.00 31.44 H new ATOM 0 HB2 LYS A 23 6.931 14.639 -1.562 1.00 12.13 H new ATOM 0 HB3 LYS A 23 6.335 15.624 -2.883 1.00 12.13 H new ATOM 0 HG2 LYS A 23 8.186 17.015 -2.879 1.00 62.41 H new ATOM 0 HG3 LYS A 23 8.493 16.795 -1.167 1.00 62.41 H new ATOM 0 HD2 LYS A 23 8.825 14.222 -2.231 1.00 43.11 H new ATOM 0 HD3 LYS A 23 9.509 15.267 -3.461 1.00 43.11 H new ATOM 0 HE2 LYS A 23 10.221 15.488 -0.512 1.00 10.13 H new ATOM 0 HE3 LYS A 23 11.118 14.490 -1.639 1.00 10.13 H new ATOM 0 HZ1 LYS A 23 12.140 16.656 -1.380 1.00 23.51 H new ATOM 0 HZ2 LYS A 23 11.583 16.464 -2.973 1.00 23.51 H new ATOM 0 HZ3 LYS A 23 10.714 17.430 -1.881 1.00 23.51 H new ATOM 424 N CYS A 24 3.983 16.376 -2.371 1.00 3.32 N ATOM 425 CA CYS A 24 2.878 16.936 -3.141 1.00 70.41 C ATOM 426 C CYS A 24 1.561 16.795 -2.385 1.00 30.31 C ATOM 427 O CYS A 24 0.699 17.670 -2.450 1.00 34.03 O ATOM 428 CB CYS A 24 2.776 16.245 -4.502 1.00 14.11 C ATOM 429 SG CYS A 24 2.415 14.476 -4.406 1.00 11.21 S ATOM 0 H CYS A 24 4.043 15.358 -2.398 1.00 3.32 H new ATOM 0 HA CYS A 24 3.075 17.997 -3.294 1.00 70.41 H new ATOM 0 HB2 CYS A 24 1.997 16.733 -5.088 1.00 14.11 H new ATOM 0 HB3 CYS A 24 3.714 16.385 -5.040 1.00 14.11 H new ATOM 434 N GLY A 25 1.412 15.684 -1.670 1.00 32.04 N ATOM 435 CA GLY A 25 0.196 15.447 -0.913 1.00 33.31 C ATOM 436 C GLY A 25 -0.680 14.382 -1.542 1.00 23.41 C ATOM 437 O GLY A 25 -1.900 14.403 -1.387 1.00 51.01 O ATOM 0 H GLY A 25 2.111 14.944 -1.601 1.00 32.04 H new ATOM 0 HA2 GLY A 25 0.456 15.146 0.102 1.00 33.31 H new ATOM 0 HA3 GLY A 25 -0.367 16.377 -0.835 1.00 33.31 H new ATOM 441 N GLU A 26 -0.056 13.450 -2.255 1.00 34.31 N ATOM 442 CA GLU A 26 -0.789 12.374 -2.913 1.00 65.21 C ATOM 443 C GLU A 26 -0.512 11.035 -2.236 1.00 14.43 C ATOM 444 O GLU A 26 0.625 10.727 -1.882 1.00 44.02 O ATOM 445 CB GLU A 26 -0.408 12.297 -4.392 1.00 63.43 C ATOM 446 CG GLU A 26 -0.970 11.078 -5.103 1.00 60.14 C ATOM 447 CD GLU A 26 -2.435 10.844 -4.791 1.00 2.24 C ATOM 448 OE1 GLU A 26 -3.197 11.832 -4.742 1.00 2.34 O ATOM 449 OE2 GLU A 26 -2.820 9.672 -4.596 1.00 23.43 O ATOM 0 H GLU A 26 0.954 13.418 -2.392 1.00 34.31 H new ATOM 0 HA GLU A 26 -1.854 12.591 -2.830 1.00 65.21 H new ATOM 0 HB2 GLU A 26 -0.761 13.196 -4.897 1.00 63.43 H new ATOM 0 HB3 GLU A 26 0.679 12.289 -4.479 1.00 63.43 H new ATOM 0 HG2 GLU A 26 -0.847 11.201 -6.179 1.00 60.14 H new ATOM 0 HG3 GLU A 26 -0.396 10.197 -4.815 1.00 60.14 H new ATOM 456 N LYS A 27 -1.564 10.241 -2.057 1.00 4.31 N ATOM 457 CA LYS A 27 -1.437 8.934 -1.423 1.00 70.42 C ATOM 458 C LYS A 27 -0.321 8.121 -2.072 1.00 12.34 C ATOM 459 O LYS A 27 -0.131 8.167 -3.287 1.00 63.04 O ATOM 460 CB LYS A 27 -2.759 8.170 -1.515 1.00 0.41 C ATOM 461 CG LYS A 27 -3.961 8.975 -1.051 1.00 11.41 C ATOM 462 CD LYS A 27 -4.950 8.112 -0.285 1.00 74.53 C ATOM 463 CE LYS A 27 -6.317 8.772 -0.201 1.00 54.10 C ATOM 464 NZ LYS A 27 -6.404 9.722 0.943 1.00 60.44 N ATOM 0 H LYS A 27 -2.514 10.481 -2.342 1.00 4.31 H new ATOM 0 HA LYS A 27 -1.186 9.089 -0.374 1.00 70.42 H new ATOM 0 HB2 LYS A 27 -2.918 7.858 -2.547 1.00 0.41 H new ATOM 0 HB3 LYS A 27 -2.687 7.262 -0.916 1.00 0.41 H new ATOM 0 HG2 LYS A 27 -3.627 9.796 -0.417 1.00 11.41 H new ATOM 0 HG3 LYS A 27 -4.457 9.420 -1.914 1.00 11.41 H new ATOM 0 HD2 LYS A 27 -5.043 7.142 -0.773 1.00 74.53 H new ATOM 0 HD3 LYS A 27 -4.571 7.928 0.720 1.00 74.53 H new ATOM 0 HE2 LYS A 27 -6.522 9.303 -1.131 1.00 54.10 H new ATOM 0 HE3 LYS A 27 -7.085 8.005 -0.096 1.00 54.10 H new ATOM 0 HZ1 LYS A 27 -7.351 10.151 0.966 1.00 60.44 H new ATOM 0 HZ2 LYS A 27 -6.234 9.211 1.833 1.00 60.44 H new ATOM 0 HZ3 LYS A 27 -5.688 10.468 0.830 1.00 60.44 H new ATOM 478 N THR A 28 0.413 7.374 -1.253 1.00 30.40 N ATOM 479 CA THR A 28 1.509 6.550 -1.747 1.00 34.12 C ATOM 480 C THR A 28 1.026 5.148 -2.102 1.00 41.31 C ATOM 481 O THR A 28 -0.018 4.701 -1.626 1.00 24.24 O ATOM 482 CB THR A 28 2.642 6.443 -0.710 1.00 20.23 C ATOM 483 OG1 THR A 28 2.096 6.421 0.614 1.00 74.54 O ATOM 484 CG2 THR A 28 3.611 7.607 -0.845 1.00 4.44 C ATOM 0 H THR A 28 0.268 7.323 -0.245 1.00 30.40 H new ATOM 0 HA THR A 28 1.892 7.037 -2.644 1.00 34.12 H new ATOM 0 HB THR A 28 3.185 5.516 -0.893 1.00 20.23 H new ATOM 0 HG1 THR A 28 2.791 6.670 1.259 1.00 74.54 H new ATOM 0 HG21 THR A 28 4.403 7.510 -0.102 1.00 4.44 H new ATOM 0 HG22 THR A 28 4.048 7.603 -1.844 1.00 4.44 H new ATOM 0 HG23 THR A 28 3.078 8.544 -0.686 1.00 4.44 H new ATOM 492 N VAL A 29 1.792 4.457 -2.940 1.00 64.32 N ATOM 493 CA VAL A 29 1.443 3.104 -3.358 1.00 45.03 C ATOM 494 C VAL A 29 2.663 2.192 -3.338 1.00 33.34 C ATOM 495 O VAL A 29 3.798 2.651 -3.477 1.00 14.01 O ATOM 496 CB VAL A 29 0.830 3.094 -4.771 1.00 21.20 C ATOM 497 CG1 VAL A 29 -0.335 4.066 -4.855 1.00 43.34 C ATOM 498 CG2 VAL A 29 1.888 3.426 -5.812 1.00 62.54 C ATOM 0 H VAL A 29 2.659 4.812 -3.343 1.00 64.32 H new ATOM 0 HA VAL A 29 0.704 2.733 -2.648 1.00 45.03 H new ATOM 0 HB VAL A 29 0.451 2.093 -4.977 1.00 21.20 H new ATOM 0 HG11 VAL A 29 -0.755 4.045 -5.861 1.00 43.34 H new ATOM 0 HG12 VAL A 29 -1.102 3.778 -4.136 1.00 43.34 H new ATOM 0 HG13 VAL A 29 0.015 5.073 -4.629 1.00 43.34 H new ATOM 0 HG21 VAL A 29 1.438 3.415 -6.805 1.00 62.54 H new ATOM 0 HG22 VAL A 29 2.298 4.416 -5.611 1.00 62.54 H new ATOM 0 HG23 VAL A 29 2.687 2.686 -5.767 1.00 62.54 H new ATOM 508 N ILE A 30 2.424 0.896 -3.164 1.00 72.05 N ATOM 509 CA ILE A 30 3.503 -0.082 -3.127 1.00 62.52 C ATOM 510 C ILE A 30 4.237 -0.140 -4.463 1.00 23.53 C ATOM 511 O ILE A 30 3.691 -0.559 -5.483 1.00 21.13 O ATOM 512 CB ILE A 30 2.977 -1.488 -2.783 1.00 41.10 C ATOM 513 CG1 ILE A 30 2.081 -1.431 -1.544 1.00 21.13 C ATOM 514 CG2 ILE A 30 4.137 -2.447 -2.560 1.00 72.31 C ATOM 515 CD1 ILE A 30 2.769 -0.855 -0.326 1.00 35.50 C ATOM 0 H ILE A 30 1.492 0.500 -3.046 1.00 72.05 H new ATOM 0 HA ILE A 30 4.194 0.239 -2.348 1.00 62.52 H new ATOM 0 HB ILE A 30 2.384 -1.854 -3.621 1.00 41.10 H new ATOM 0 HG12 ILE A 30 1.199 -0.831 -1.771 1.00 21.13 H new ATOM 0 HG13 ILE A 30 1.731 -2.437 -1.312 1.00 21.13 H new ATOM 0 HG21 ILE A 30 3.750 -3.437 -2.318 1.00 72.31 H new ATOM 0 HG22 ILE A 30 4.740 -2.505 -3.466 1.00 72.31 H new ATOM 0 HG23 ILE A 30 4.753 -2.087 -1.736 1.00 72.31 H new ATOM 0 HD11 ILE A 30 2.074 -0.845 0.514 1.00 35.50 H new ATOM 0 HD12 ILE A 30 3.635 -1.467 -0.074 1.00 35.50 H new ATOM 0 HD13 ILE A 30 3.094 0.163 -0.539 1.00 35.50 H new ATOM 527 N PRO A 31 5.508 0.290 -4.457 1.00 30.52 N ATOM 528 CA PRO A 31 6.348 0.295 -5.660 1.00 13.41 C ATOM 529 C PRO A 31 6.723 -1.113 -6.111 1.00 55.05 C ATOM 530 O PRO A 31 7.562 -1.771 -5.496 1.00 43.12 O ATOM 531 CB PRO A 31 7.595 1.065 -5.219 1.00 31.15 C ATOM 532 CG PRO A 31 7.652 0.878 -3.742 1.00 24.24 C ATOM 533 CD PRO A 31 6.225 0.804 -3.278 1.00 33.35 C ATOM 0 HA PRO A 31 5.835 0.740 -6.513 1.00 13.41 H new ATOM 0 HB2 PRO A 31 8.492 0.677 -5.702 1.00 31.15 H new ATOM 0 HB3 PRO A 31 7.523 2.120 -5.482 1.00 31.15 H new ATOM 0 HG2 PRO A 31 8.194 -0.032 -3.485 1.00 24.24 H new ATOM 0 HG3 PRO A 31 8.175 1.706 -3.264 1.00 24.24 H new ATOM 0 HD2 PRO A 31 6.115 0.140 -2.420 1.00 33.35 H new ATOM 0 HD3 PRO A 31 5.850 1.781 -2.975 1.00 33.35 H new ATOM 541 N LYS A 32 6.094 -1.570 -7.189 1.00 22.14 N ATOM 542 CA LYS A 32 6.363 -2.900 -7.725 1.00 53.45 C ATOM 543 C LYS A 32 7.835 -3.051 -8.093 1.00 35.03 C ATOM 544 O LYS A 32 8.559 -2.071 -8.273 1.00 33.24 O ATOM 545 CB LYS A 32 5.489 -3.162 -8.954 1.00 22.34 C ATOM 546 CG LYS A 32 4.334 -4.111 -8.687 1.00 53.33 C ATOM 547 CD LYS A 32 3.131 -3.379 -8.115 1.00 22.24 C ATOM 548 CE LYS A 32 2.182 -4.334 -7.408 1.00 54.12 C ATOM 549 NZ LYS A 32 1.410 -5.165 -8.374 1.00 2.21 N ATOM 0 H LYS A 32 5.395 -1.039 -7.709 1.00 22.14 H new ATOM 0 HA LYS A 32 6.124 -3.631 -6.953 1.00 53.45 H new ATOM 0 HB2 LYS A 32 5.093 -2.214 -9.317 1.00 22.34 H new ATOM 0 HB3 LYS A 32 6.110 -3.573 -9.750 1.00 22.34 H new ATOM 0 HG2 LYS A 32 4.050 -4.610 -9.614 1.00 53.33 H new ATOM 0 HG3 LYS A 32 4.653 -4.887 -7.992 1.00 53.33 H new ATOM 0 HD2 LYS A 32 3.468 -2.615 -7.415 1.00 22.24 H new ATOM 0 HD3 LYS A 32 2.601 -2.865 -8.917 1.00 22.24 H new ATOM 0 HE2 LYS A 32 2.750 -4.984 -6.742 1.00 54.12 H new ATOM 0 HE3 LYS A 32 1.492 -3.765 -6.785 1.00 54.12 H new ATOM 0 HZ1 LYS A 32 0.775 -5.803 -7.853 1.00 2.21 H new ATOM 0 HZ2 LYS A 32 0.848 -4.546 -8.993 1.00 2.21 H new ATOM 0 HZ3 LYS A 32 2.068 -5.727 -8.951 1.00 2.21 H new ATOM 563 N PRO A 33 8.290 -4.307 -8.208 1.00 71.54 N ATOM 564 CA PRO A 33 9.680 -4.616 -8.558 1.00 74.41 C ATOM 565 C PRO A 33 10.007 -4.260 -10.004 1.00 23.01 C ATOM 566 O PRO A 33 9.124 -3.983 -10.816 1.00 21.21 O ATOM 567 CB PRO A 33 9.771 -6.130 -8.347 1.00 1.24 C ATOM 568 CG PRO A 33 8.375 -6.621 -8.519 1.00 43.01 C ATOM 569 CD PRO A 33 7.484 -5.523 -8.008 1.00 74.01 C ATOM 0 HA PRO A 33 10.388 -4.044 -7.958 1.00 74.41 H new ATOM 0 HB2 PRO A 33 10.445 -6.591 -9.070 1.00 1.24 H new ATOM 0 HB3 PRO A 33 10.155 -6.369 -7.355 1.00 1.24 H new ATOM 0 HG2 PRO A 33 8.164 -6.839 -9.566 1.00 43.01 H new ATOM 0 HG3 PRO A 33 8.215 -7.544 -7.962 1.00 43.01 H new ATOM 0 HD2 PRO A 33 6.545 -5.478 -8.560 1.00 74.01 H new ATOM 0 HD3 PRO A 33 7.230 -5.668 -6.958 1.00 74.01 H new ATOM 577 N PRO A 34 11.307 -4.266 -10.337 1.00 13.42 N ATOM 578 CA PRO A 34 11.780 -3.946 -11.687 1.00 33.32 C ATOM 579 C PRO A 34 11.415 -5.027 -12.699 1.00 44.44 C ATOM 580 O PRO A 34 10.829 -6.050 -12.347 1.00 21.24 O ATOM 581 CB PRO A 34 13.299 -3.863 -11.520 1.00 4.21 C ATOM 582 CG PRO A 34 13.598 -4.718 -10.337 1.00 20.20 C ATOM 583 CD PRO A 34 12.414 -4.586 -9.420 1.00 62.43 C ATOM 0 HA PRO A 34 11.329 -3.031 -12.071 1.00 33.32 H new ATOM 0 HB2 PRO A 34 13.815 -4.224 -12.410 1.00 4.21 H new ATOM 0 HB3 PRO A 34 13.624 -2.835 -11.358 1.00 4.21 H new ATOM 0 HG2 PRO A 34 13.748 -5.756 -10.634 1.00 20.20 H new ATOM 0 HG3 PRO A 34 14.513 -4.393 -9.842 1.00 20.20 H new ATOM 0 HD2 PRO A 34 12.227 -5.508 -8.870 1.00 62.43 H new ATOM 0 HD3 PRO A 34 12.564 -3.799 -8.681 1.00 62.43 H new ATOM 591 N LYS A 35 11.765 -4.791 -13.960 1.00 54.32 N ATOM 592 CA LYS A 35 11.476 -5.744 -15.025 1.00 12.12 C ATOM 593 C LYS A 35 12.695 -6.608 -15.328 1.00 22.32 C ATOM 594 O LYS A 35 13.758 -6.097 -15.682 1.00 45.44 O ATOM 595 CB LYS A 35 11.032 -5.007 -16.291 1.00 0.14 C ATOM 596 CG LYS A 35 9.531 -4.793 -16.375 1.00 73.35 C ATOM 597 CD LYS A 35 9.009 -4.019 -15.177 1.00 11.24 C ATOM 598 CE LYS A 35 9.619 -2.628 -15.103 1.00 12.50 C ATOM 599 NZ LYS A 35 9.264 -1.804 -16.292 1.00 63.04 N ATOM 0 H LYS A 35 12.249 -3.948 -14.269 1.00 54.32 H new ATOM 0 HA LYS A 35 10.668 -6.393 -14.688 1.00 12.12 H new ATOM 0 HB2 LYS A 35 11.531 -4.039 -16.332 1.00 0.14 H new ATOM 0 HB3 LYS A 35 11.359 -5.572 -17.164 1.00 0.14 H new ATOM 0 HG2 LYS A 35 9.291 -4.253 -17.291 1.00 73.35 H new ATOM 0 HG3 LYS A 35 9.028 -5.758 -16.433 1.00 73.35 H new ATOM 0 HD2 LYS A 35 7.924 -3.939 -15.239 1.00 11.24 H new ATOM 0 HD3 LYS A 35 9.236 -4.566 -14.262 1.00 11.24 H new ATOM 0 HE2 LYS A 35 9.274 -2.128 -14.198 1.00 12.50 H new ATOM 0 HE3 LYS A 35 10.703 -2.710 -15.028 1.00 12.50 H new ATOM 0 HZ1 LYS A 35 9.521 -0.812 -16.116 1.00 63.04 H new ATOM 0 HZ2 LYS A 35 9.782 -2.153 -17.124 1.00 63.04 H new ATOM 0 HZ3 LYS A 35 8.241 -1.871 -16.468 1.00 63.04 H new ATOM 613 N PHE A 36 12.536 -7.920 -15.188 1.00 74.33 N ATOM 614 CA PHE A 36 13.625 -8.854 -15.447 1.00 74.34 C ATOM 615 C PHE A 36 13.089 -10.175 -15.993 1.00 42.20 C ATOM 616 O PHE A 36 12.550 -10.994 -15.249 1.00 42.51 O ATOM 617 CB PHE A 36 14.426 -9.105 -14.169 1.00 72.20 C ATOM 618 CG PHE A 36 15.874 -9.415 -14.419 1.00 14.10 C ATOM 619 CD1 PHE A 36 16.717 -8.459 -14.960 1.00 23.24 C ATOM 620 CD2 PHE A 36 16.392 -10.664 -14.114 1.00 15.22 C ATOM 621 CE1 PHE A 36 18.050 -8.742 -15.192 1.00 42.20 C ATOM 622 CE2 PHE A 36 17.723 -10.953 -14.344 1.00 5.04 C ATOM 623 CZ PHE A 36 18.554 -9.990 -14.883 1.00 25.05 C ATOM 0 H PHE A 36 11.663 -8.360 -14.897 1.00 74.33 H new ATOM 0 HA PHE A 36 14.281 -8.410 -16.196 1.00 74.34 H new ATOM 0 HB2 PHE A 36 14.357 -8.226 -13.528 1.00 72.20 H new ATOM 0 HB3 PHE A 36 13.974 -9.934 -13.624 1.00 72.20 H new ATOM 0 HD1 PHE A 36 16.329 -7.481 -15.203 1.00 23.24 H new ATOM 0 HD2 PHE A 36 15.747 -11.420 -13.691 1.00 15.22 H new ATOM 0 HE1 PHE A 36 18.697 -7.988 -15.615 1.00 42.20 H new ATOM 0 HE2 PHE A 36 18.114 -11.931 -14.103 1.00 5.04 H new ATOM 0 HZ PHE A 36 19.595 -10.213 -15.062 1.00 25.05 H new ATOM 633 N SER A 37 13.243 -10.375 -17.298 1.00 75.23 N ATOM 634 CA SER A 37 12.770 -11.594 -17.946 1.00 22.33 C ATOM 635 C SER A 37 13.410 -11.761 -19.320 1.00 72.35 C ATOM 636 O SER A 37 14.135 -10.883 -19.793 1.00 20.13 O ATOM 637 CB SER A 37 11.247 -11.569 -18.078 1.00 50.04 C ATOM 638 OG SER A 37 10.716 -12.883 -18.111 1.00 43.24 O ATOM 0 H SER A 37 13.691 -9.709 -17.928 1.00 75.23 H new ATOM 0 HA SER A 37 13.058 -12.442 -17.325 1.00 22.33 H new ATOM 0 HB2 SER A 37 10.815 -11.020 -17.241 1.00 50.04 H new ATOM 0 HB3 SER A 37 10.966 -11.037 -18.987 1.00 50.04 H new ATOM 0 HG SER A 37 9.740 -12.840 -18.194 1.00 43.24 H new ATOM 644 N LEU A 38 13.137 -12.893 -19.959 1.00 33.00 N ATOM 645 CA LEU A 38 13.685 -13.178 -21.282 1.00 11.51 C ATOM 646 C LEU A 38 12.598 -13.101 -22.349 1.00 24.33 C ATOM 647 O LEU A 38 12.866 -12.741 -23.495 1.00 51.34 O ATOM 648 CB LEU A 38 14.336 -14.562 -21.298 1.00 15.11 C ATOM 649 CG LEU A 38 14.946 -15.000 -22.630 1.00 10.50 C ATOM 650 CD1 LEU A 38 16.128 -15.927 -22.396 1.00 30.22 C ATOM 651 CD2 LEU A 38 13.898 -15.678 -23.500 1.00 13.12 C ATOM 0 H LEU A 38 12.539 -13.629 -19.583 1.00 33.00 H new ATOM 0 HA LEU A 38 14.441 -12.426 -21.506 1.00 11.51 H new ATOM 0 HB2 LEU A 38 15.118 -14.583 -20.539 1.00 15.11 H new ATOM 0 HB3 LEU A 38 13.587 -15.298 -21.005 1.00 15.11 H new ATOM 0 HG LEU A 38 15.304 -14.113 -23.153 1.00 10.50 H new ATOM 0 HD11 LEU A 38 16.549 -16.229 -23.355 1.00 30.22 H new ATOM 0 HD12 LEU A 38 16.888 -15.407 -21.813 1.00 30.22 H new ATOM 0 HD13 LEU A 38 15.795 -16.811 -21.852 1.00 30.22 H new ATOM 0 HD21 LEU A 38 14.350 -15.983 -24.444 1.00 13.12 H new ATOM 0 HD22 LEU A 38 13.509 -16.556 -22.984 1.00 13.12 H new ATOM 0 HD23 LEU A 38 13.083 -14.982 -23.697 1.00 13.12 H new ATOM 663 N GLU A 39 11.371 -13.439 -21.963 1.00 23.41 N ATOM 664 CA GLU A 39 10.245 -13.407 -22.889 1.00 4.53 C ATOM 665 C GLU A 39 9.962 -11.981 -23.351 1.00 52.12 C ATOM 666 O GLU A 39 9.534 -11.757 -24.484 1.00 33.43 O ATOM 667 CB GLU A 39 8.997 -13.998 -22.229 1.00 3.54 C ATOM 668 CG GLU A 39 8.854 -15.496 -22.431 1.00 14.24 C ATOM 669 CD GLU A 39 8.119 -15.845 -23.711 1.00 43.22 C ATOM 670 OE1 GLU A 39 8.709 -15.668 -24.799 1.00 15.31 O ATOM 671 OE2 GLU A 39 6.957 -16.292 -23.626 1.00 73.11 O ATOM 0 H GLU A 39 11.132 -13.737 -21.017 1.00 23.41 H new ATOM 0 HA GLU A 39 10.506 -14.008 -23.760 1.00 4.53 H new ATOM 0 HB2 GLU A 39 9.026 -13.785 -21.160 1.00 3.54 H new ATOM 0 HB3 GLU A 39 8.114 -13.500 -22.629 1.00 3.54 H new ATOM 0 HG2 GLU A 39 9.844 -15.952 -22.449 1.00 14.24 H new ATOM 0 HG3 GLU A 39 8.321 -15.924 -21.582 1.00 14.24 H new ATOM 678 N ASP A 40 10.202 -11.020 -22.467 1.00 5.42 N ATOM 679 CA ASP A 40 9.974 -9.614 -22.783 1.00 30.03 C ATOM 680 C ASP A 40 11.224 -8.983 -23.387 1.00 61.40 C ATOM 681 O ASP A 40 12.181 -8.675 -22.677 1.00 62.54 O ATOM 682 CB ASP A 40 9.558 -8.847 -21.526 1.00 70.32 C ATOM 683 CG ASP A 40 8.539 -9.604 -20.698 1.00 55.24 C ATOM 684 OD1 ASP A 40 7.439 -9.885 -21.221 1.00 33.14 O ATOM 685 OD2 ASP A 40 8.839 -9.916 -19.527 1.00 22.40 O ATOM 0 H ASP A 40 10.555 -11.188 -21.525 1.00 5.42 H new ATOM 0 HA ASP A 40 9.170 -9.558 -23.516 1.00 30.03 H new ATOM 0 HB2 ASP A 40 10.440 -8.647 -20.918 1.00 70.32 H new ATOM 0 HB3 ASP A 40 9.143 -7.881 -21.814 1.00 70.32 H new ATOM 690 N ARG A 41 11.208 -8.795 -24.703 1.00 31.01 N ATOM 691 CA ARG A 41 12.342 -8.204 -25.404 1.00 50.45 C ATOM 692 C ARG A 41 12.591 -6.775 -24.926 1.00 34.33 C ATOM 693 O ARG A 41 13.543 -6.514 -24.191 1.00 11.42 O ATOM 694 CB ARG A 41 12.096 -8.211 -26.914 1.00 14.40 C ATOM 695 CG ARG A 41 13.226 -7.592 -27.718 1.00 20.31 C ATOM 696 CD ARG A 41 12.712 -6.531 -28.679 1.00 54.32 C ATOM 697 NE ARG A 41 12.521 -7.059 -30.027 1.00 15.23 N ATOM 698 CZ ARG A 41 13.515 -7.269 -30.882 1.00 2.33 C ATOM 699 NH1 ARG A 41 14.764 -6.995 -30.531 1.00 31.33 N ATOM 700 NH2 ARG A 41 13.262 -7.752 -32.091 1.00 41.14 N ATOM 0 H ARG A 41 10.423 -9.043 -25.305 1.00 31.01 H new ATOM 0 HA ARG A 41 13.226 -8.803 -25.184 1.00 50.45 H new ATOM 0 HB2 ARG A 41 11.947 -9.239 -27.244 1.00 14.40 H new ATOM 0 HB3 ARG A 41 11.173 -7.671 -27.126 1.00 14.40 H new ATOM 0 HG2 ARG A 41 13.955 -7.148 -27.040 1.00 20.31 H new ATOM 0 HG3 ARG A 41 13.744 -8.371 -28.278 1.00 20.31 H new ATOM 0 HD2 ARG A 41 11.767 -6.134 -28.308 1.00 54.32 H new ATOM 0 HD3 ARG A 41 13.417 -5.700 -28.712 1.00 54.32 H new ATOM 0 HE ARG A 41 11.572 -7.279 -30.328 1.00 15.23 H new ATOM 0 HH11 ARG A 41 14.963 -6.622 -29.603 1.00 31.33 H new ATOM 0 HH12 ARG A 41 15.526 -7.157 -31.189 1.00 31.33 H new ATOM 0 HH21 ARG A 41 12.303 -7.963 -32.365 1.00 41.14 H new ATOM 0 HH22 ARG A 41 14.027 -7.913 -32.746 1.00 41.14 H new ATOM 714 N TRP A 42 11.730 -5.857 -25.350 1.00 21.24 N ATOM 715 CA TRP A 42 11.858 -4.455 -24.966 1.00 33.45 C ATOM 716 C TRP A 42 10.942 -4.128 -23.791 1.00 62.22 C ATOM 717 O TRP A 42 10.630 -2.964 -23.542 1.00 1.11 O ATOM 718 CB TRP A 42 11.531 -3.548 -26.153 1.00 33.44 C ATOM 719 CG TRP A 42 10.060 -3.336 -26.350 1.00 62.11 C ATOM 720 CD1 TRP A 42 9.076 -4.278 -26.251 1.00 42.41 C ATOM 721 CD2 TRP A 42 9.409 -2.105 -26.683 1.00 60.33 C ATOM 722 NE1 TRP A 42 7.852 -3.705 -26.502 1.00 72.33 N ATOM 723 CE2 TRP A 42 8.030 -2.374 -26.769 1.00 42.51 C ATOM 724 CE3 TRP A 42 9.858 -0.801 -26.915 1.00 34.32 C ATOM 725 CZ2 TRP A 42 7.097 -1.387 -27.077 1.00 71.14 C ATOM 726 CZ3 TRP A 42 8.931 0.177 -27.222 1.00 20.33 C ATOM 727 CH2 TRP A 42 7.564 -0.120 -27.301 1.00 1.50 C ATOM 0 H TRP A 42 10.937 -6.057 -25.959 1.00 21.24 H new ATOM 0 HA TRP A 42 12.889 -4.280 -24.659 1.00 33.45 H new ATOM 0 HB2 TRP A 42 12.014 -2.582 -26.007 1.00 33.44 H new ATOM 0 HB3 TRP A 42 11.953 -3.981 -27.060 1.00 33.44 H new ATOM 0 HD1 TRP A 42 9.236 -5.319 -26.011 1.00 42.41 H new ATOM 0 HE1 TRP A 42 6.956 -4.193 -26.491 1.00 72.33 H new ATOM 0 HE3 TRP A 42 10.910 -0.563 -26.855 1.00 34.32 H new ATOM 0 HZ2 TRP A 42 6.043 -1.613 -27.137 1.00 71.14 H new ATOM 0 HZ3 TRP A 42 9.266 1.187 -27.404 1.00 20.33 H new ATOM 0 HH2 TRP A 42 6.865 0.667 -27.543 1.00 1.50 H new ATOM 738 N GLY A 43 10.516 -5.162 -23.072 1.00 43.12 N ATOM 739 CA GLY A 43 9.640 -4.961 -21.933 1.00 2.45 C ATOM 740 C GLY A 43 10.215 -3.986 -20.924 1.00 14.41 C ATOM 741 O GLY A 43 9.474 -3.278 -20.242 1.00 2.23 O ATOM 0 H GLY A 43 10.762 -6.134 -23.258 1.00 43.12 H new ATOM 0 HA2 GLY A 43 8.675 -4.592 -22.281 1.00 2.45 H new ATOM 0 HA3 GLY A 43 9.458 -5.919 -21.445 1.00 2.45 H new ATOM 745 N LYS A 44 11.539 -3.950 -20.827 1.00 20.54 N ATOM 746 CA LYS A 44 12.214 -3.056 -19.894 1.00 21.23 C ATOM 747 C LYS A 44 11.973 -1.597 -20.268 1.00 42.31 C ATOM 748 O LYS A 44 12.145 -0.699 -19.443 1.00 71.55 O ATOM 749 CB LYS A 44 13.717 -3.347 -19.873 1.00 71.44 C ATOM 750 CG LYS A 44 14.064 -4.713 -19.308 1.00 62.03 C ATOM 751 CD LYS A 44 15.561 -4.970 -19.351 1.00 71.55 C ATOM 752 CE LYS A 44 15.906 -6.347 -18.807 1.00 11.02 C ATOM 753 NZ LYS A 44 15.884 -7.387 -19.872 1.00 32.13 N ATOM 0 H LYS A 44 12.167 -4.530 -21.384 1.00 20.54 H new ATOM 0 HA LYS A 44 11.803 -3.231 -18.900 1.00 21.23 H new ATOM 0 HB2 LYS A 44 14.107 -3.273 -20.888 1.00 71.44 H new ATOM 0 HB3 LYS A 44 14.219 -2.581 -19.282 1.00 71.44 H new ATOM 0 HG2 LYS A 44 13.711 -4.782 -18.279 1.00 62.03 H new ATOM 0 HG3 LYS A 44 13.545 -5.485 -19.876 1.00 62.03 H new ATOM 0 HD2 LYS A 44 15.917 -4.884 -20.378 1.00 71.55 H new ATOM 0 HD3 LYS A 44 16.079 -4.208 -18.769 1.00 71.55 H new ATOM 0 HE2 LYS A 44 16.894 -6.319 -18.348 1.00 11.02 H new ATOM 0 HE3 LYS A 44 15.198 -6.615 -18.023 1.00 11.02 H new ATOM 0 HZ1 LYS A 44 16.125 -8.311 -19.460 1.00 32.13 H new ATOM 0 HZ2 LYS A 44 14.934 -7.432 -20.293 1.00 32.13 H new ATOM 0 HZ3 LYS A 44 16.578 -7.145 -20.608 1.00 32.13 H new ATOM 767 N TYR A 45 11.574 -1.369 -21.514 1.00 12.44 N ATOM 768 CA TYR A 45 11.309 -0.018 -21.996 1.00 61.33 C ATOM 769 C TYR A 45 10.328 0.705 -21.080 1.00 54.41 C ATOM 770 O TYR A 45 10.409 1.921 -20.900 1.00 34.23 O ATOM 771 CB TYR A 45 10.757 -0.063 -23.422 1.00 74.12 C ATOM 772 CG TYR A 45 10.655 1.298 -24.074 1.00 73.53 C ATOM 773 CD1 TYR A 45 9.668 2.200 -23.695 1.00 34.22 C ATOM 774 CD2 TYR A 45 11.546 1.681 -25.069 1.00 52.23 C ATOM 775 CE1 TYR A 45 9.570 3.442 -24.289 1.00 65.32 C ATOM 776 CE2 TYR A 45 11.457 2.923 -25.667 1.00 75.13 C ATOM 777 CZ TYR A 45 10.467 3.800 -25.274 1.00 62.45 C ATOM 778 OH TYR A 45 10.375 5.038 -25.868 1.00 41.34 O ATOM 0 H TYR A 45 11.427 -2.101 -22.209 1.00 12.44 H new ATOM 0 HA TYR A 45 12.250 0.532 -21.995 1.00 61.33 H new ATOM 0 HB2 TYR A 45 11.397 -0.701 -24.031 1.00 74.12 H new ATOM 0 HB3 TYR A 45 9.770 -0.524 -23.406 1.00 74.12 H new ATOM 0 HD1 TYR A 45 8.966 1.924 -22.922 1.00 34.22 H new ATOM 0 HD2 TYR A 45 12.321 0.996 -25.380 1.00 52.23 H new ATOM 0 HE1 TYR A 45 8.795 4.130 -23.984 1.00 65.32 H new ATOM 0 HE2 TYR A 45 12.158 3.206 -26.438 1.00 75.13 H new ATOM 0 HH TYR A 45 11.082 5.132 -26.540 1.00 41.34 H new ATOM 788 N ARG A 46 9.399 -0.051 -20.503 1.00 22.32 N ATOM 789 CA ARG A 46 8.400 0.517 -19.606 1.00 11.21 C ATOM 790 C ARG A 46 9.066 1.267 -18.456 1.00 15.51 C ATOM 791 O ARG A 46 8.472 2.169 -17.864 1.00 22.50 O ATOM 792 CB ARG A 46 7.495 -0.586 -19.054 1.00 41.24 C ATOM 793 CG ARG A 46 6.436 -0.078 -18.087 1.00 60.44 C ATOM 794 CD ARG A 46 5.158 -0.895 -18.182 1.00 40.25 C ATOM 795 NE ARG A 46 4.327 -0.483 -19.311 1.00 73.10 N ATOM 796 CZ ARG A 46 3.208 -1.106 -19.665 1.00 45.25 C ATOM 797 NH1 ARG A 46 2.788 -2.161 -18.983 1.00 70.20 N ATOM 798 NH2 ARG A 46 2.507 -0.670 -20.705 1.00 72.01 N ATOM 0 H ARG A 46 9.318 -1.058 -20.641 1.00 22.32 H new ATOM 0 HA ARG A 46 7.795 1.223 -20.175 1.00 11.21 H new ATOM 0 HB2 ARG A 46 7.003 -1.091 -19.885 1.00 41.24 H new ATOM 0 HB3 ARG A 46 8.110 -1.330 -18.548 1.00 41.24 H new ATOM 0 HG2 ARG A 46 6.821 -0.120 -17.068 1.00 60.44 H new ATOM 0 HG3 ARG A 46 6.217 0.968 -18.302 1.00 60.44 H new ATOM 0 HD2 ARG A 46 5.409 -1.951 -18.283 1.00 40.25 H new ATOM 0 HD3 ARG A 46 4.591 -0.790 -17.257 1.00 40.25 H new ATOM 0 HE ARG A 46 4.622 0.327 -19.857 1.00 73.10 H new ATOM 0 HH11 ARG A 46 3.324 -2.498 -18.183 1.00 70.20 H new ATOM 0 HH12 ARG A 46 1.929 -2.637 -19.258 1.00 70.20 H new ATOM 0 HH21 ARG A 46 2.828 0.143 -21.232 1.00 72.01 H new ATOM 0 HH22 ARG A 46 1.648 -1.148 -20.977 1.00 72.01 H new ATOM 812 N ARG A 47 10.301 0.886 -18.145 1.00 2.53 N ATOM 813 CA ARG A 47 11.046 1.522 -17.065 1.00 13.20 C ATOM 814 C ARG A 47 11.794 2.751 -17.571 1.00 23.22 C ATOM 815 O ARG A 47 11.836 3.784 -16.902 1.00 55.42 O ATOM 816 CB ARG A 47 12.032 0.529 -16.445 1.00 45.21 C ATOM 817 CG ARG A 47 12.213 0.706 -14.946 1.00 51.13 C ATOM 818 CD ARG A 47 13.472 0.011 -14.451 1.00 44.11 C ATOM 819 NE ARG A 47 14.067 0.703 -13.311 1.00 41.30 N ATOM 820 CZ ARG A 47 14.944 0.142 -12.487 1.00 0.40 C ATOM 821 NH1 ARG A 47 15.327 -1.113 -12.676 1.00 11.12 N ATOM 822 NH2 ARG A 47 15.441 0.837 -11.472 1.00 14.22 N ATOM 0 H ARG A 47 10.806 0.141 -18.625 1.00 2.53 H new ATOM 0 HA ARG A 47 10.334 1.841 -16.303 1.00 13.20 H new ATOM 0 HB2 ARG A 47 11.686 -0.485 -16.643 1.00 45.21 H new ATOM 0 HB3 ARG A 47 13.000 0.637 -16.935 1.00 45.21 H new ATOM 0 HG2 ARG A 47 12.265 1.768 -14.708 1.00 51.13 H new ATOM 0 HG3 ARG A 47 11.345 0.304 -14.424 1.00 51.13 H new ATOM 0 HD2 ARG A 47 13.233 -1.014 -14.168 1.00 44.11 H new ATOM 0 HD3 ARG A 47 14.199 -0.043 -15.262 1.00 44.11 H new ATOM 0 HE ARG A 47 13.794 1.670 -13.138 1.00 41.30 H new ATOM 0 HH11 ARG A 47 14.948 -1.650 -13.456 1.00 11.12 H new ATOM 0 HH12 ARG A 47 16.001 -1.542 -12.042 1.00 11.12 H new ATOM 0 HH21 ARG A 47 15.149 1.803 -11.324 1.00 14.22 H new ATOM 0 HH22 ARG A 47 16.115 0.405 -10.840 1.00 14.22 H new ATOM 836 N MET A 48 12.387 2.631 -18.754 1.00 40.55 N ATOM 837 CA MET A 48 13.133 3.734 -19.350 1.00 33.25 C ATOM 838 C MET A 48 12.308 4.431 -20.425 1.00 53.54 C ATOM 839 O MET A 48 12.844 4.891 -21.435 1.00 32.25 O ATOM 840 CB MET A 48 14.445 3.224 -19.948 1.00 63.34 C ATOM 841 CG MET A 48 15.302 2.446 -18.963 1.00 43.30 C ATOM 842 SD MET A 48 16.089 3.508 -17.737 1.00 60.13 S ATOM 843 CE MET A 48 16.512 2.311 -16.473 1.00 44.40 C ATOM 0 H MET A 48 12.366 1.782 -19.319 1.00 40.55 H new ATOM 0 HA MET A 48 13.356 4.456 -18.564 1.00 33.25 H new ATOM 0 HB2 MET A 48 14.221 2.587 -20.804 1.00 63.34 H new ATOM 0 HB3 MET A 48 15.017 4.072 -20.323 1.00 63.34 H new ATOM 0 HG2 MET A 48 14.683 1.707 -18.454 1.00 43.30 H new ATOM 0 HG3 MET A 48 16.069 1.898 -19.509 1.00 43.30 H new ATOM 0 HE1 MET A 48 17.008 2.817 -15.644 1.00 44.40 H new ATOM 0 HE2 MET A 48 15.605 1.827 -16.112 1.00 44.40 H new ATOM 0 HE3 MET A 48 17.181 1.560 -16.893 1.00 44.40 H new ATOM 853 N LEU A 49 10.999 4.508 -20.204 1.00 43.01 N ATOM 854 CA LEU A 49 10.098 5.151 -21.155 1.00 63.43 C ATOM 855 C LEU A 49 10.404 6.641 -21.274 1.00 30.11 C ATOM 856 O LEU A 49 10.140 7.260 -22.304 1.00 60.34 O ATOM 857 CB LEU A 49 8.644 4.949 -20.726 1.00 24.11 C ATOM 858 CG LEU A 49 8.148 5.846 -19.592 1.00 1.32 C ATOM 859 CD1 LEU A 49 6.631 5.804 -19.502 1.00 72.32 C ATOM 860 CD2 LEU A 49 8.775 5.428 -18.269 1.00 43.40 C ATOM 0 H LEU A 49 10.539 4.133 -19.375 1.00 43.01 H new ATOM 0 HA LEU A 49 10.250 4.690 -22.131 1.00 63.43 H new ATOM 0 HB2 LEU A 49 8.005 5.108 -21.594 1.00 24.11 H new ATOM 0 HB3 LEU A 49 8.517 3.910 -20.423 1.00 24.11 H new ATOM 0 HG LEU A 49 8.450 6.871 -19.807 1.00 1.32 H new ATOM 0 HD11 LEU A 49 6.297 6.449 -18.689 1.00 72.32 H new ATOM 0 HD12 LEU A 49 6.201 6.152 -20.441 1.00 72.32 H new ATOM 0 HD13 LEU A 49 6.306 4.781 -19.311 1.00 72.32 H new ATOM 0 HD21 LEU A 49 8.411 6.077 -17.473 1.00 43.40 H new ATOM 0 HD22 LEU A 49 8.504 4.396 -18.048 1.00 43.40 H new ATOM 0 HD23 LEU A 49 9.860 5.512 -18.338 1.00 43.40 H new ATOM 872 N LYS A 50 10.964 7.211 -20.212 1.00 53.33 N ATOM 873 CA LYS A 50 11.309 8.627 -20.196 1.00 53.02 C ATOM 874 C LYS A 50 12.745 8.842 -20.663 1.00 70.15 C ATOM 875 O LYS A 50 13.654 8.118 -20.259 1.00 35.40 O ATOM 876 CB LYS A 50 11.127 9.202 -18.790 1.00 24.20 C ATOM 877 CG LYS A 50 9.753 8.941 -18.199 1.00 4.52 C ATOM 878 CD LYS A 50 8.715 9.902 -18.755 1.00 21.51 C ATOM 879 CE LYS A 50 8.785 11.258 -18.069 1.00 60.43 C ATOM 880 NZ LYS A 50 8.045 11.265 -16.778 1.00 13.23 N ATOM 0 H LYS A 50 11.189 6.713 -19.351 1.00 53.33 H new ATOM 0 HA LYS A 50 10.640 9.146 -20.883 1.00 53.02 H new ATOM 0 HB2 LYS A 50 11.883 8.775 -18.131 1.00 24.20 H new ATOM 0 HB3 LYS A 50 11.301 10.277 -18.821 1.00 24.20 H new ATOM 0 HG2 LYS A 50 9.452 7.915 -18.414 1.00 4.52 H new ATOM 0 HG3 LYS A 50 9.798 9.040 -17.114 1.00 4.52 H new ATOM 0 HD2 LYS A 50 8.871 10.027 -19.827 1.00 21.51 H new ATOM 0 HD3 LYS A 50 7.719 9.478 -18.625 1.00 21.51 H new ATOM 0 HE2 LYS A 50 9.828 11.522 -17.891 1.00 60.43 H new ATOM 0 HE3 LYS A 50 8.371 12.021 -18.729 1.00 60.43 H new ATOM 0 HZ1 LYS A 50 8.117 12.206 -16.342 1.00 13.23 H new ATOM 0 HZ2 LYS A 50 7.045 11.038 -16.950 1.00 13.23 H new ATOM 0 HZ3 LYS A 50 8.456 10.555 -16.139 1.00 13.23 H new ATOM 894 N ARG A 51 12.941 9.843 -21.515 1.00 44.23 N ATOM 895 CA ARG A 51 14.267 10.154 -22.036 1.00 73.44 C ATOM 896 C ARG A 51 14.867 11.358 -21.317 1.00 35.40 C ATOM 897 O ARG A 51 15.644 12.116 -21.896 1.00 21.00 O ATOM 898 CB ARG A 51 14.195 10.428 -23.540 1.00 23.34 C ATOM 899 CG ARG A 51 14.167 9.168 -24.389 1.00 30.13 C ATOM 900 CD ARG A 51 15.570 8.650 -24.665 1.00 43.21 C ATOM 901 NE ARG A 51 16.286 9.491 -25.621 1.00 30.12 N ATOM 902 CZ ARG A 51 15.984 9.556 -26.912 1.00 31.53 C ATOM 903 NH1 ARG A 51 14.985 8.833 -27.400 1.00 33.20 N ATOM 904 NH2 ARG A 51 16.683 10.344 -27.719 1.00 54.34 N ATOM 0 H ARG A 51 12.199 10.452 -21.859 1.00 44.23 H new ATOM 0 HA ARG A 51 14.910 9.292 -21.860 1.00 73.44 H new ATOM 0 HB2 ARG A 51 13.303 11.018 -23.751 1.00 23.34 H new ATOM 0 HB3 ARG A 51 15.053 11.033 -23.832 1.00 23.34 H new ATOM 0 HG2 ARG A 51 13.587 8.398 -23.880 1.00 30.13 H new ATOM 0 HG3 ARG A 51 13.662 9.375 -25.333 1.00 30.13 H new ATOM 0 HD2 ARG A 51 16.130 8.605 -23.731 1.00 43.21 H new ATOM 0 HD3 ARG A 51 15.511 7.632 -25.051 1.00 43.21 H new ATOM 0 HE ARG A 51 17.060 10.059 -25.278 1.00 30.12 H new ATOM 0 HH11 ARG A 51 14.447 8.225 -26.783 1.00 33.20 H new ATOM 0 HH12 ARG A 51 14.755 8.885 -28.392 1.00 33.20 H new ATOM 0 HH21 ARG A 51 17.453 10.900 -27.347 1.00 54.34 H new ATOM 0 HH22 ARG A 51 16.450 10.393 -28.711 1.00 54.34 H new ATOM 918 N ALA A 52 14.499 11.527 -20.051 1.00 31.45 N ATOM 919 CA ALA A 52 15.001 12.637 -19.252 1.00 3.12 C ATOM 920 C ALA A 52 16.387 12.329 -18.693 1.00 13.10 C ATOM 921 O ALA A 52 17.299 13.153 -18.778 1.00 61.51 O ATOM 922 CB ALA A 52 14.033 12.954 -18.121 1.00 63.20 C ATOM 0 H ALA A 52 13.855 10.909 -19.557 1.00 31.45 H new ATOM 0 HA ALA A 52 15.084 13.510 -19.900 1.00 3.12 H new ATOM 0 HB1 ALA A 52 14.421 13.785 -17.532 1.00 63.20 H new ATOM 0 HB2 ALA A 52 13.063 13.226 -18.538 1.00 63.20 H new ATOM 0 HB3 ALA A 52 13.921 12.078 -17.482 1.00 63.20 H new ATOM 928 N LEU A 53 16.537 11.139 -18.120 1.00 45.35 N ATOM 929 CA LEU A 53 17.812 10.723 -17.547 1.00 4.41 C ATOM 930 C LEU A 53 18.715 10.111 -18.613 1.00 25.21 C ATOM 931 O LEU A 53 18.263 9.333 -19.453 1.00 73.22 O ATOM 932 CB LEU A 53 17.582 9.716 -16.419 1.00 41.41 C ATOM 933 CG LEU A 53 18.322 9.995 -15.110 1.00 32.23 C ATOM 934 CD1 LEU A 53 17.960 11.371 -14.573 1.00 20.32 C ATOM 935 CD2 LEU A 53 18.006 8.919 -14.081 1.00 24.05 C ATOM 0 H LEU A 53 15.792 10.447 -18.040 1.00 45.35 H new ATOM 0 HA LEU A 53 18.306 11.607 -17.143 1.00 4.41 H new ATOM 0 HB2 LEU A 53 16.513 9.675 -16.208 1.00 41.41 H new ATOM 0 HB3 LEU A 53 17.875 8.728 -16.775 1.00 41.41 H new ATOM 0 HG LEU A 53 19.393 9.977 -15.310 1.00 32.23 H new ATOM 0 HD11 LEU A 53 18.497 11.551 -13.641 1.00 20.32 H new ATOM 0 HD12 LEU A 53 18.237 12.131 -15.304 1.00 20.32 H new ATOM 0 HD13 LEU A 53 16.887 11.419 -14.389 1.00 20.32 H new ATOM 0 HD21 LEU A 53 18.541 9.133 -13.155 1.00 24.05 H new ATOM 0 HD22 LEU A 53 16.934 8.906 -13.886 1.00 24.05 H new ATOM 0 HD23 LEU A 53 18.317 7.947 -14.464 1.00 24.05 H new ATOM 947 N LYS A 54 19.995 10.467 -18.573 1.00 21.41 N ATOM 948 CA LYS A 54 20.964 9.951 -19.533 1.00 2.30 C ATOM 949 C LYS A 54 22.097 9.220 -18.821 1.00 75.32 C ATOM 950 O LYS A 54 22.589 9.672 -17.789 1.00 61.42 O ATOM 951 CB LYS A 54 21.531 11.093 -20.379 1.00 25.41 C ATOM 952 CG LYS A 54 22.044 12.262 -19.557 1.00 63.24 C ATOM 953 CD LYS A 54 22.810 13.255 -20.417 1.00 31.24 C ATOM 954 CE LYS A 54 21.882 14.016 -21.350 1.00 15.41 C ATOM 955 NZ LYS A 54 22.582 14.466 -22.584 1.00 64.15 N ATOM 0 H LYS A 54 20.385 11.111 -17.885 1.00 21.41 H new ATOM 0 HA LYS A 54 20.452 9.244 -20.185 1.00 2.30 H new ATOM 0 HB2 LYS A 54 22.344 10.709 -20.995 1.00 25.41 H new ATOM 0 HB3 LYS A 54 20.757 11.449 -21.059 1.00 25.41 H new ATOM 0 HG2 LYS A 54 21.205 12.766 -19.077 1.00 63.24 H new ATOM 0 HG3 LYS A 54 22.692 11.893 -18.762 1.00 63.24 H new ATOM 0 HD2 LYS A 54 23.341 13.959 -19.776 1.00 31.24 H new ATOM 0 HD3 LYS A 54 23.563 12.726 -21.002 1.00 31.24 H new ATOM 0 HE2 LYS A 54 21.040 13.380 -21.622 1.00 15.41 H new ATOM 0 HE3 LYS A 54 21.473 14.881 -20.829 1.00 15.41 H new ATOM 0 HZ1 LYS A 54 21.915 14.981 -23.193 1.00 64.15 H new ATOM 0 HZ2 LYS A 54 23.371 15.093 -22.327 1.00 64.15 H new ATOM 0 HZ3 LYS A 54 22.950 13.639 -23.095 1.00 64.15 H new ATOM 969 N ASN A 55 22.508 8.087 -19.383 1.00 12.24 N ATOM 970 CA ASN A 55 23.585 7.293 -18.802 1.00 21.02 C ATOM 971 C ASN A 55 24.947 7.871 -19.171 1.00 60.12 C ATOM 972 O ASN A 55 25.350 7.848 -20.335 1.00 45.30 O ATOM 973 CB ASN A 55 23.489 5.841 -19.277 1.00 31.12 C ATOM 974 CG ASN A 55 24.777 5.073 -19.052 1.00 64.21 C ATOM 975 OD1 ASN A 55 25.024 4.559 -17.961 1.00 62.13 O ATOM 976 ND2 ASN A 55 25.607 4.993 -20.087 1.00 12.53 N ATOM 0 H ASN A 55 22.112 7.699 -20.239 1.00 12.24 H new ATOM 0 HA ASN A 55 23.480 7.322 -17.717 1.00 21.02 H new ATOM 0 HB2 ASN A 55 22.675 5.342 -18.751 1.00 31.12 H new ATOM 0 HB3 ASN A 55 23.240 5.824 -20.338 1.00 31.12 H new ATOM 0 HD21 ASN A 55 26.490 4.490 -19.995 1.00 12.53 H new ATOM 0 HD22 ASN A 55 25.361 5.434 -20.973 1.00 12.53 H new ATOM 983 N LYS A 56 25.654 8.389 -18.173 1.00 45.41 N ATOM 984 CA LYS A 56 26.972 8.974 -18.391 1.00 11.24 C ATOM 985 C LYS A 56 28.072 8.014 -17.945 1.00 1.11 C ATOM 986 O LYS A 56 29.227 8.152 -18.343 1.00 62.01 O ATOM 987 CB LYS A 56 27.098 10.297 -17.633 1.00 65.21 C ATOM 988 CG LYS A 56 27.096 10.136 -16.123 1.00 12.21 C ATOM 989 CD LYS A 56 25.830 10.706 -15.503 1.00 20.42 C ATOM 990 CE LYS A 56 26.088 12.056 -14.853 1.00 4.52 C ATOM 991 NZ LYS A 56 24.828 12.826 -14.655 1.00 62.42 N ATOM 0 H LYS A 56 25.336 8.416 -17.204 1.00 45.41 H new ATOM 0 HA LYS A 56 27.087 9.162 -19.458 1.00 11.24 H new ATOM 0 HB2 LYS A 56 28.020 10.793 -17.936 1.00 65.21 H new ATOM 0 HB3 LYS A 56 26.275 10.951 -17.921 1.00 65.21 H new ATOM 0 HG2 LYS A 56 27.183 9.080 -15.869 1.00 12.21 H new ATOM 0 HG3 LYS A 56 27.967 10.638 -15.701 1.00 12.21 H new ATOM 0 HD2 LYS A 56 25.063 10.811 -16.270 1.00 20.42 H new ATOM 0 HD3 LYS A 56 25.443 10.010 -14.758 1.00 20.42 H new ATOM 0 HE2 LYS A 56 26.578 11.908 -13.891 1.00 4.52 H new ATOM 0 HE3 LYS A 56 26.773 12.633 -15.474 1.00 4.52 H new ATOM 0 HZ1 LYS A 56 25.046 13.740 -14.210 1.00 62.42 H new ATOM 0 HZ2 LYS A 56 24.373 12.989 -15.576 1.00 62.42 H new ATOM 0 HZ3 LYS A 56 24.184 12.287 -14.041 1.00 62.42 H new ATOM 1005 N ASN A 57 27.703 7.042 -17.117 1.00 35.31 N ATOM 1006 CA ASN A 57 28.659 6.060 -16.619 1.00 35.41 C ATOM 1007 C ASN A 57 28.718 4.843 -17.540 1.00 3.34 C ATOM 1008 O ASN A 57 27.769 4.554 -18.267 1.00 41.32 O ATOM 1009 CB ASN A 57 28.281 5.623 -15.202 1.00 71.40 C ATOM 1010 CG ASN A 57 26.856 5.112 -15.115 1.00 33.51 C ATOM 1011 OD1 ASN A 57 26.589 3.935 -15.365 1.00 24.32 O ATOM 1012 ND2 ASN A 57 25.931 5.996 -14.762 1.00 10.23 N ATOM 0 H ASN A 57 26.750 6.913 -16.777 1.00 35.31 H new ATOM 0 HA ASN A 57 29.644 6.526 -16.598 1.00 35.41 H new ATOM 0 HB2 ASN A 57 28.965 4.842 -14.871 1.00 71.40 H new ATOM 0 HB3 ASN A 57 28.405 6.464 -14.520 1.00 71.40 H new ATOM 0 HD21 ASN A 57 24.954 5.711 -14.689 1.00 10.23 H new ATOM 0 HD22 ASN A 57 26.197 6.961 -14.564 1.00 10.23 H new ATOM 1019 N LYS A 58 29.842 4.134 -17.501 1.00 52.13 N ATOM 1020 CA LYS A 58 30.026 2.949 -18.328 1.00 61.50 C ATOM 1021 C LYS A 58 30.088 1.689 -17.470 1.00 41.43 C ATOM 1022 O LYS A 58 30.979 1.539 -16.635 1.00 64.53 O ATOM 1023 CB LYS A 58 31.307 3.075 -19.159 1.00 41.43 C ATOM 1024 CG LYS A 58 31.116 3.840 -20.457 1.00 31.34 C ATOM 1025 CD LYS A 58 30.849 5.314 -20.202 1.00 14.32 C ATOM 1026 CE LYS A 58 30.764 6.098 -21.502 1.00 61.33 C ATOM 1027 NZ LYS A 58 29.454 5.904 -22.183 1.00 53.33 N ATOM 0 H LYS A 58 30.638 4.360 -16.905 1.00 52.13 H new ATOM 0 HA LYS A 58 29.170 2.869 -18.998 1.00 61.50 H new ATOM 0 HB2 LYS A 58 32.070 3.574 -18.562 1.00 41.43 H new ATOM 0 HB3 LYS A 58 31.682 2.077 -19.387 1.00 41.43 H new ATOM 0 HG2 LYS A 58 32.005 3.733 -21.078 1.00 31.34 H new ATOM 0 HG3 LYS A 58 30.284 3.410 -21.015 1.00 31.34 H new ATOM 0 HD2 LYS A 58 29.917 5.425 -19.647 1.00 14.32 H new ATOM 0 HD3 LYS A 58 31.643 5.726 -19.579 1.00 14.32 H new ATOM 0 HE2 LYS A 58 30.913 7.158 -21.297 1.00 61.33 H new ATOM 0 HE3 LYS A 58 31.569 5.786 -22.167 1.00 61.33 H new ATOM 0 HZ1 LYS A 58 29.436 6.455 -23.065 1.00 53.33 H new ATOM 0 HZ2 LYS A 58 29.322 4.896 -22.402 1.00 53.33 H new ATOM 0 HZ3 LYS A 58 28.687 6.226 -21.558 1.00 53.33 H new ATOM 1041 N ALA A 59 29.135 0.787 -17.681 1.00 41.12 N ATOM 1042 CA ALA A 59 29.083 -0.459 -16.928 1.00 33.42 C ATOM 1043 C ALA A 59 29.273 -1.662 -17.845 1.00 73.43 C ATOM 1044 O ALA A 59 28.922 -1.617 -19.024 1.00 50.10 O ATOM 1045 CB ALA A 59 27.764 -0.569 -16.178 1.00 21.00 C ATOM 0 H ALA A 59 28.389 0.896 -18.367 1.00 41.12 H new ATOM 0 HA ALA A 59 29.899 -0.452 -16.206 1.00 33.42 H new ATOM 0 HB1 ALA A 59 27.740 -1.505 -15.620 1.00 21.00 H new ATOM 0 HB2 ALA A 59 27.668 0.268 -15.487 1.00 21.00 H new ATOM 0 HB3 ALA A 59 26.938 -0.549 -16.889 1.00 21.00 H new ATOM 1051 N GLU A 60 29.833 -2.737 -17.298 1.00 3.43 N ATOM 1052 CA GLU A 60 30.070 -3.951 -18.068 1.00 65.44 C ATOM 1053 C GLU A 60 29.050 -5.029 -17.715 1.00 72.44 C ATOM 1054 O GLU A 60 28.634 -5.150 -16.564 1.00 74.15 O ATOM 1055 CB GLU A 60 31.487 -4.473 -17.817 1.00 12.11 C ATOM 1056 CG GLU A 60 32.577 -3.557 -18.347 1.00 51.33 C ATOM 1057 CD GLU A 60 32.997 -2.504 -17.338 1.00 34.32 C ATOM 1058 OE1 GLU A 60 33.602 -2.877 -16.312 1.00 22.05 O ATOM 1059 OE2 GLU A 60 32.720 -1.311 -17.575 1.00 42.31 O ATOM 0 H GLU A 60 30.131 -2.791 -16.324 1.00 3.43 H new ATOM 0 HA GLU A 60 29.962 -3.706 -19.125 1.00 65.44 H new ATOM 0 HB2 GLU A 60 31.630 -4.611 -16.745 1.00 12.11 H new ATOM 0 HB3 GLU A 60 31.591 -5.454 -18.281 1.00 12.11 H new ATOM 0 HG2 GLU A 60 33.445 -4.155 -18.625 1.00 51.33 H new ATOM 0 HG3 GLU A 60 32.224 -3.066 -19.254 1.00 51.33 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.073 12.862 -4.658 1.00 4.22 ZN