USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,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 -148:sc= -0.566 (180deg=-3.58!) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -1.54 (180deg=-2.32) USER MOD Single : A 8 LYS NZ :NH3+ -131:sc= -0.0129 (180deg=-0.202) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -125:sc= 0.04 (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 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.101 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 180:sc= -2.14 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0248 (180deg=-0.201) 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+ -131:sc= 0 (180deg=-0.255) 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) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.795 K(o=-0.8,f=-0.23) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 21.066 13.905 6.080 1.00 3.21 N ATOM 2 CA GLY A -2 20.054 13.199 5.315 1.00 51.35 C ATOM 3 C GLY A -2 19.656 11.885 5.957 1.00 51.22 C ATOM 4 O GLY A -2 19.777 11.717 7.170 1.00 41.13 O ATOM 0 H1 GLY A -2 20.730 14.865 6.297 1.00 3.21 H new ATOM 0 H2 GLY A -2 21.250 13.394 6.967 1.00 3.21 H new ATOM 0 H3 GLY A -2 21.944 13.963 5.525 1.00 3.21 H new ATOM 0 HA2 GLY A -2 19.172 13.832 5.213 1.00 51.35 H new ATOM 0 HA3 GLY A -2 20.429 13.010 4.309 1.00 51.35 H new ATOM 8 N SER A -1 19.178 10.951 5.141 1.00 72.02 N ATOM 9 CA SER A -1 18.754 9.647 5.637 1.00 54.03 C ATOM 10 C SER A -1 18.956 8.570 4.575 1.00 0.23 C ATOM 11 O SER A -1 18.913 8.849 3.376 1.00 14.55 O ATOM 12 CB SER A -1 17.285 9.691 6.062 1.00 54.45 C ATOM 13 OG SER A -1 16.473 10.231 5.034 1.00 1.11 O ATOM 0 H SER A -1 19.075 11.073 4.134 1.00 72.02 H new ATOM 0 HA SER A -1 19.367 9.399 6.503 1.00 54.03 H new ATOM 0 HB2 SER A -1 16.944 8.685 6.309 1.00 54.45 H new ATOM 0 HB3 SER A -1 17.182 10.293 6.965 1.00 54.45 H new ATOM 0 HG SER A -1 15.539 10.247 5.329 1.00 1.11 H new ATOM 19 N HIS A 0 19.175 7.338 5.023 1.00 12.42 N ATOM 20 CA HIS A 0 19.382 6.218 4.112 1.00 52.21 C ATOM 21 C HIS A 0 18.069 5.492 3.837 1.00 52.31 C ATOM 22 O HIS A 0 17.025 5.848 4.383 1.00 74.13 O ATOM 23 CB HIS A 0 20.406 5.243 4.694 1.00 53.10 C ATOM 24 CG HIS A 0 21.826 5.678 4.499 1.00 31.05 C ATOM 25 ND1 HIS A 0 22.491 5.560 3.296 1.00 31.32 N ATOM 26 CD2 HIS A 0 22.708 6.234 5.361 1.00 0.52 C ATOM 27 CE1 HIS A 0 23.721 6.023 3.429 1.00 14.42 C ATOM 28 NE2 HIS A 0 23.878 6.440 4.672 1.00 62.52 N ATOM 0 H HIS A 0 19.214 7.090 6.012 1.00 12.42 H new ATOM 0 HA HIS A 0 19.762 6.613 3.170 1.00 52.21 H new ATOM 0 HB2 HIS A 0 20.215 5.122 5.760 1.00 53.10 H new ATOM 0 HB3 HIS A 0 20.268 4.265 4.232 1.00 53.10 H new ATOM 0 HD2 HIS A 0 22.526 6.472 6.399 1.00 0.52 H new ATOM 0 HE1 HIS A 0 24.471 6.055 2.653 1.00 14.42 H new ATOM 0 HE2 HIS A 0 24.729 6.848 5.058 1.00 62.52 H new ATOM 36 N MET A 1 18.130 4.473 2.986 1.00 14.54 N ATOM 37 CA MET A 1 16.945 3.697 2.638 1.00 54.03 C ATOM 38 C MET A 1 16.736 2.553 3.626 1.00 33.23 C ATOM 39 O MET A 1 17.646 1.764 3.879 1.00 10.41 O ATOM 40 CB MET A 1 17.071 3.142 1.218 1.00 3.14 C ATOM 41 CG MET A 1 16.756 4.164 0.137 1.00 52.45 C ATOM 42 SD MET A 1 17.608 3.818 -1.415 1.00 62.14 S ATOM 43 CE MET A 1 16.541 2.561 -2.113 1.00 61.52 C ATOM 0 H MET A 1 18.986 4.166 2.525 1.00 14.54 H new ATOM 0 HA MET A 1 16.081 4.359 2.686 1.00 54.03 H new ATOM 0 HB2 MET A 1 18.085 2.770 1.071 1.00 3.14 H new ATOM 0 HB3 MET A 1 16.400 2.290 1.108 1.00 3.14 H new ATOM 0 HG2 MET A 1 15.680 4.181 -0.039 1.00 52.45 H new ATOM 0 HG3 MET A 1 17.037 5.157 0.488 1.00 52.45 H new ATOM 0 HE1 MET A 1 16.936 2.243 -3.078 1.00 61.52 H new ATOM 0 HE2 MET A 1 16.498 1.705 -1.439 1.00 61.52 H new ATOM 0 HE3 MET A 1 15.539 2.968 -2.247 1.00 61.52 H new ATOM 53 N VAL A 2 15.531 2.470 4.182 1.00 14.21 N ATOM 54 CA VAL A 2 15.202 1.423 5.141 1.00 15.12 C ATOM 55 C VAL A 2 14.840 0.122 4.432 1.00 53.35 C ATOM 56 O VAL A 2 14.426 0.130 3.273 1.00 63.14 O ATOM 57 CB VAL A 2 14.031 1.841 6.049 1.00 44.20 C ATOM 58 CG1 VAL A 2 14.450 2.977 6.972 1.00 51.14 C ATOM 59 CG2 VAL A 2 12.825 2.241 5.214 1.00 5.21 C ATOM 0 H VAL A 2 14.767 3.116 3.984 1.00 14.21 H new ATOM 0 HA VAL A 2 16.090 1.266 5.754 1.00 15.12 H new ATOM 0 HB VAL A 2 13.750 0.987 6.666 1.00 44.20 H new ATOM 0 HG11 VAL A 2 13.610 3.259 7.606 1.00 51.14 H new ATOM 0 HG12 VAL A 2 15.282 2.651 7.596 1.00 51.14 H new ATOM 0 HG13 VAL A 2 14.759 3.835 6.375 1.00 51.14 H new ATOM 0 HG21 VAL A 2 12.007 2.533 5.873 1.00 5.21 H new ATOM 0 HG22 VAL A 2 13.090 3.080 4.570 1.00 5.21 H new ATOM 0 HG23 VAL A 2 12.512 1.397 4.599 1.00 5.21 H new ATOM 69 N GLU A 3 15.000 -0.994 5.137 1.00 22.21 N ATOM 70 CA GLU A 3 14.690 -2.302 4.574 1.00 62.55 C ATOM 71 C GLU A 3 13.232 -2.673 4.828 1.00 32.11 C ATOM 72 O GLU A 3 12.617 -3.392 4.040 1.00 65.33 O ATOM 73 CB GLU A 3 15.609 -3.370 5.172 1.00 42.35 C ATOM 74 CG GLU A 3 16.908 -3.553 4.405 1.00 44.44 C ATOM 75 CD GLU A 3 17.668 -4.794 4.832 1.00 32.32 C ATOM 76 OE1 GLU A 3 17.017 -5.820 5.117 1.00 44.10 O ATOM 77 OE2 GLU A 3 18.916 -4.738 4.879 1.00 31.55 O ATOM 0 H GLU A 3 15.342 -1.018 6.098 1.00 22.21 H new ATOM 0 HA GLU A 3 14.853 -2.252 3.497 1.00 62.55 H new ATOM 0 HB2 GLU A 3 15.840 -3.103 6.203 1.00 42.35 H new ATOM 0 HB3 GLU A 3 15.077 -4.321 5.201 1.00 42.35 H new ATOM 0 HG2 GLU A 3 16.690 -3.614 3.339 1.00 44.44 H new ATOM 0 HG3 GLU A 3 17.539 -2.676 4.552 1.00 44.44 H new ATOM 84 N MET A 4 12.684 -2.176 5.932 1.00 45.15 N ATOM 85 CA MET A 4 11.299 -2.453 6.290 1.00 21.23 C ATOM 86 C MET A 4 10.359 -2.095 5.142 1.00 21.41 C ATOM 87 O MET A 4 10.512 -1.054 4.504 1.00 33.11 O ATOM 88 CB MET A 4 10.908 -1.673 7.546 1.00 22.14 C ATOM 89 CG MET A 4 11.379 -2.323 8.837 1.00 51.12 C ATOM 90 SD MET A 4 13.059 -1.844 9.282 1.00 40.23 S ATOM 91 CE MET A 4 12.864 -1.514 11.032 1.00 14.10 C ATOM 0 H MET A 4 13.179 -1.579 6.594 1.00 45.15 H new ATOM 0 HA MET A 4 11.209 -3.520 6.492 1.00 21.23 H new ATOM 0 HB2 MET A 4 11.323 -0.667 7.483 1.00 22.14 H new ATOM 0 HB3 MET A 4 9.823 -1.569 7.576 1.00 22.14 H new ATOM 0 HG2 MET A 4 10.701 -2.049 9.645 1.00 51.12 H new ATOM 0 HG3 MET A 4 11.330 -3.407 8.733 1.00 51.12 H new ATOM 0 HE1 MET A 4 13.821 -1.205 11.453 1.00 14.10 H new ATOM 0 HE2 MET A 4 12.132 -0.719 11.173 1.00 14.10 H new ATOM 0 HE3 MET A 4 12.520 -2.417 11.536 1.00 14.10 H new ATOM 101 N ARG A 5 9.388 -2.966 4.885 1.00 52.31 N ATOM 102 CA ARG A 5 8.426 -2.742 3.813 1.00 14.12 C ATOM 103 C ARG A 5 7.793 -1.358 3.931 1.00 61.32 C ATOM 104 O ARG A 5 7.742 -0.779 5.015 1.00 60.21 O ATOM 105 CB ARG A 5 7.337 -3.816 3.843 1.00 70.32 C ATOM 106 CG ARG A 5 6.217 -3.521 4.827 1.00 24.41 C ATOM 107 CD ARG A 5 6.735 -3.448 6.255 1.00 44.44 C ATOM 108 NE ARG A 5 7.380 -4.692 6.669 1.00 15.15 N ATOM 109 CZ ARG A 5 6.719 -5.821 6.898 1.00 75.21 C ATOM 110 NH1 ARG A 5 5.401 -5.863 6.755 1.00 75.11 N ATOM 111 NH2 ARG A 5 7.377 -6.911 7.270 1.00 72.42 N ATOM 0 H ARG A 5 9.247 -3.833 5.404 1.00 52.31 H new ATOM 0 HA ARG A 5 8.958 -2.800 2.864 1.00 14.12 H new ATOM 0 HB2 ARG A 5 6.913 -3.920 2.844 1.00 70.32 H new ATOM 0 HB3 ARG A 5 7.790 -4.774 4.098 1.00 70.32 H new ATOM 0 HG2 ARG A 5 5.739 -2.578 4.564 1.00 24.41 H new ATOM 0 HG3 ARG A 5 5.454 -4.296 4.755 1.00 24.41 H new ATOM 0 HD2 ARG A 5 7.445 -2.626 6.341 1.00 44.44 H new ATOM 0 HD3 ARG A 5 5.908 -3.227 6.930 1.00 44.44 H new ATOM 0 HE ARG A 5 8.393 -4.693 6.789 1.00 15.15 H new ATOM 0 HH11 ARG A 5 4.892 -5.027 6.468 1.00 75.11 H new ATOM 0 HH12 ARG A 5 4.896 -6.732 6.932 1.00 75.11 H new ATOM 0 HH21 ARG A 5 8.391 -6.882 7.380 1.00 72.42 H new ATOM 0 HH22 ARG A 5 6.869 -7.778 7.446 1.00 72.42 H new ATOM 125 N MET A 6 7.313 -0.836 2.807 1.00 1.52 N ATOM 126 CA MET A 6 6.683 0.480 2.785 1.00 54.13 C ATOM 127 C MET A 6 6.102 0.781 1.407 1.00 43.53 C ATOM 128 O MET A 6 6.066 -0.086 0.534 1.00 20.30 O ATOM 129 CB MET A 6 7.695 1.560 3.172 1.00 10.33 C ATOM 130 CG MET A 6 8.689 1.885 2.069 1.00 73.01 C ATOM 131 SD MET A 6 10.347 2.208 2.700 1.00 21.31 S ATOM 132 CE MET A 6 9.978 3.272 4.093 1.00 35.33 C ATOM 0 H MET A 6 7.348 -1.303 1.901 1.00 1.52 H new ATOM 0 HA MET A 6 5.869 0.478 3.510 1.00 54.13 H new ATOM 0 HB2 MET A 6 7.158 2.468 3.445 1.00 10.33 H new ATOM 0 HB3 MET A 6 8.241 1.234 4.057 1.00 10.33 H new ATOM 0 HG2 MET A 6 8.728 1.054 1.364 1.00 73.01 H new ATOM 0 HG3 MET A 6 8.339 2.756 1.515 1.00 73.01 H new ATOM 0 HE1 MET A 6 10.792 3.984 4.233 1.00 35.33 H new ATOM 0 HE2 MET A 6 9.051 3.813 3.902 1.00 35.33 H new ATOM 0 HE3 MET A 6 9.866 2.667 4.993 1.00 35.33 H new ATOM 142 N LYS A 7 5.647 2.016 1.219 1.00 60.42 N ATOM 143 CA LYS A 7 5.068 2.432 -0.053 1.00 10.31 C ATOM 144 C LYS A 7 5.819 3.630 -0.626 1.00 1.41 C ATOM 145 O LYS A 7 6.634 4.249 0.057 1.00 41.55 O ATOM 146 CB LYS A 7 3.589 2.782 0.128 1.00 55.11 C ATOM 147 CG LYS A 7 3.299 3.563 1.397 1.00 24.52 C ATOM 148 CD LYS A 7 2.899 2.642 2.538 1.00 40.30 C ATOM 149 CE LYS A 7 1.561 1.970 2.269 1.00 41.50 C ATOM 150 NZ LYS A 7 0.928 1.474 3.522 1.00 42.20 N ATOM 0 H LYS A 7 5.668 2.746 1.931 1.00 60.42 H new ATOM 0 HA LYS A 7 5.156 1.602 -0.754 1.00 10.31 H new ATOM 0 HB2 LYS A 7 3.254 3.364 -0.731 1.00 55.11 H new ATOM 0 HB3 LYS A 7 3.005 1.862 0.137 1.00 55.11 H new ATOM 0 HG2 LYS A 7 4.181 4.136 1.683 1.00 24.52 H new ATOM 0 HG3 LYS A 7 2.500 4.280 1.210 1.00 24.52 H new ATOM 0 HD2 LYS A 7 3.667 1.882 2.680 1.00 40.30 H new ATOM 0 HD3 LYS A 7 2.841 3.213 3.465 1.00 40.30 H new ATOM 0 HE2 LYS A 7 0.891 2.677 1.779 1.00 41.50 H new ATOM 0 HE3 LYS A 7 1.705 1.137 1.580 1.00 41.50 H new ATOM 0 HZ1 LYS A 7 -0.085 1.305 3.356 1.00 42.20 H new ATOM 0 HZ2 LYS A 7 1.384 0.586 3.813 1.00 42.20 H new ATOM 0 HZ3 LYS A 7 1.042 2.184 4.273 1.00 42.20 H new ATOM 164 N LYS A 8 5.537 3.953 -1.883 1.00 32.22 N ATOM 165 CA LYS A 8 6.183 5.078 -2.549 1.00 42.23 C ATOM 166 C LYS A 8 5.177 5.871 -3.377 1.00 65.00 C ATOM 167 O LYS A 8 4.211 5.312 -3.898 1.00 41.23 O ATOM 168 CB LYS A 8 7.320 4.583 -3.444 1.00 51.41 C ATOM 169 CG LYS A 8 8.100 5.703 -4.112 1.00 72.32 C ATOM 170 CD LYS A 8 9.112 5.161 -5.108 1.00 61.12 C ATOM 171 CE LYS A 8 8.496 4.980 -6.486 1.00 50.35 C ATOM 172 NZ LYS A 8 9.015 3.764 -7.170 1.00 62.23 N ATOM 0 H LYS A 8 4.864 3.451 -2.462 1.00 32.22 H new ATOM 0 HA LYS A 8 6.593 5.735 -1.782 1.00 42.23 H new ATOM 0 HB2 LYS A 8 8.005 3.980 -2.847 1.00 51.41 H new ATOM 0 HB3 LYS A 8 6.908 3.930 -4.213 1.00 51.41 H new ATOM 0 HG2 LYS A 8 7.409 6.374 -4.622 1.00 72.32 H new ATOM 0 HG3 LYS A 8 8.615 6.292 -3.353 1.00 72.32 H new ATOM 0 HD2 LYS A 8 9.960 5.843 -5.174 1.00 61.12 H new ATOM 0 HD3 LYS A 8 9.498 4.206 -4.753 1.00 61.12 H new ATOM 0 HE2 LYS A 8 7.412 4.910 -6.393 1.00 50.35 H new ATOM 0 HE3 LYS A 8 8.707 5.858 -7.096 1.00 50.35 H new ATOM 0 HZ1 LYS A 8 9.312 4.009 -8.136 1.00 62.23 H new ATOM 0 HZ2 LYS A 8 9.829 3.389 -6.642 1.00 62.23 H new ATOM 0 HZ3 LYS A 8 8.267 3.043 -7.210 1.00 62.23 H new ATOM 186 N CYS A 9 5.411 7.173 -3.495 1.00 34.44 N ATOM 187 CA CYS A 9 4.525 8.043 -4.262 1.00 73.41 C ATOM 188 C CYS A 9 4.677 7.790 -5.758 1.00 51.33 C ATOM 189 O CYS A 9 5.739 8.003 -6.344 1.00 24.22 O ATOM 190 CB CYS A 9 4.819 9.510 -3.947 1.00 71.33 C ATOM 191 SG CYS A 9 3.670 10.674 -4.718 1.00 40.13 S ATOM 0 H CYS A 9 6.206 7.650 -3.070 1.00 34.44 H new ATOM 0 HA CYS A 9 3.497 7.817 -3.977 1.00 73.41 H new ATOM 0 HB2 CYS A 9 4.792 9.651 -2.867 1.00 71.33 H new ATOM 0 HB3 CYS A 9 5.832 9.745 -4.274 1.00 71.33 H new ATOM 196 N PRO A 10 3.592 7.323 -6.393 1.00 10.43 N ATOM 197 CA PRO A 10 3.580 7.031 -7.830 1.00 1.32 C ATOM 198 C PRO A 10 3.654 8.296 -8.679 1.00 71.34 C ATOM 199 O PRO A 10 3.751 8.228 -9.905 1.00 74.25 O ATOM 200 CB PRO A 10 2.237 6.326 -8.036 1.00 33.11 C ATOM 201 CG PRO A 10 1.374 6.820 -6.927 1.00 51.50 C ATOM 202 CD PRO A 10 2.293 7.047 -5.758 1.00 73.41 C ATOM 0 HA PRO A 10 4.441 6.435 -8.133 1.00 1.32 H new ATOM 0 HB2 PRO A 10 1.808 6.568 -9.009 1.00 33.11 H new ATOM 0 HB3 PRO A 10 2.349 5.242 -7.998 1.00 33.11 H new ATOM 0 HG2 PRO A 10 0.866 7.742 -7.209 1.00 51.50 H new ATOM 0 HG3 PRO A 10 0.601 6.092 -6.680 1.00 51.50 H new ATOM 0 HD2 PRO A 10 1.961 7.883 -5.143 1.00 73.41 H new ATOM 0 HD3 PRO A 10 2.341 6.173 -5.109 1.00 73.41 H new ATOM 210 N LYS A 11 3.608 9.448 -8.021 1.00 2.24 N ATOM 211 CA LYS A 11 3.672 10.729 -8.716 1.00 64.23 C ATOM 212 C LYS A 11 5.096 11.276 -8.718 1.00 35.23 C ATOM 213 O LYS A 11 5.586 11.751 -9.743 1.00 34.22 O ATOM 214 CB LYS A 11 2.728 11.737 -8.056 1.00 43.44 C ATOM 215 CG LYS A 11 1.507 12.068 -8.896 1.00 35.01 C ATOM 216 CD LYS A 11 0.708 10.820 -9.234 1.00 41.51 C ATOM 217 CE LYS A 11 -0.742 11.154 -9.545 1.00 13.10 C ATOM 218 NZ LYS A 11 -0.946 11.446 -10.990 1.00 13.43 N ATOM 0 H LYS A 11 3.527 9.522 -7.007 1.00 2.24 H new ATOM 0 HA LYS A 11 3.361 10.571 -9.749 1.00 64.23 H new ATOM 0 HB2 LYS A 11 2.401 11.340 -7.095 1.00 43.44 H new ATOM 0 HB3 LYS A 11 3.277 12.656 -7.851 1.00 43.44 H new ATOM 0 HG2 LYS A 11 0.873 12.772 -8.357 1.00 35.01 H new ATOM 0 HG3 LYS A 11 1.820 12.561 -9.816 1.00 35.01 H new ATOM 0 HD2 LYS A 11 1.159 10.319 -10.091 1.00 41.51 H new ATOM 0 HD3 LYS A 11 0.750 10.122 -8.398 1.00 41.51 H new ATOM 0 HE2 LYS A 11 -1.378 10.320 -9.250 1.00 13.10 H new ATOM 0 HE3 LYS A 11 -1.051 12.016 -8.953 1.00 13.10 H new ATOM 0 HZ1 LYS A 11 -1.947 11.669 -11.161 1.00 13.43 H new ATOM 0 HZ2 LYS A 11 -0.358 12.258 -11.266 1.00 13.43 H new ATOM 0 HZ3 LYS A 11 -0.675 10.615 -11.554 1.00 13.43 H new ATOM 232 N CYS A 12 5.754 11.205 -7.567 1.00 64.43 N ATOM 233 CA CYS A 12 7.123 11.692 -7.437 1.00 50.20 C ATOM 234 C CYS A 12 8.106 10.530 -7.325 1.00 2.33 C ATOM 235 O CYS A 12 9.039 10.415 -8.117 1.00 55.42 O ATOM 236 CB CYS A 12 7.250 12.602 -6.215 1.00 25.45 C ATOM 237 SG CYS A 12 5.889 13.778 -6.027 1.00 4.33 S ATOM 0 H CYS A 12 5.362 10.815 -6.710 1.00 64.43 H new ATOM 0 HA CYS A 12 7.365 12.264 -8.333 1.00 50.20 H new ATOM 0 HB2 CYS A 12 7.308 11.984 -5.319 1.00 25.45 H new ATOM 0 HB3 CYS A 12 8.187 13.155 -6.282 1.00 25.45 H new ATOM 242 N GLY A 13 7.888 9.672 -6.333 1.00 52.21 N ATOM 243 CA GLY A 13 8.763 8.532 -6.134 1.00 54.44 C ATOM 244 C GLY A 13 9.424 8.539 -4.770 1.00 44.24 C ATOM 245 O GLY A 13 10.515 7.993 -4.597 1.00 65.31 O ATOM 0 H GLY A 13 7.121 9.746 -5.664 1.00 52.21 H new ATOM 0 HA2 GLY A 13 8.189 7.613 -6.251 1.00 54.44 H new ATOM 0 HA3 GLY A 13 9.532 8.529 -6.907 1.00 54.44 H new ATOM 249 N LEU A 14 8.765 9.161 -3.799 1.00 61.31 N ATOM 250 CA LEU A 14 9.295 9.239 -2.442 1.00 72.40 C ATOM 251 C LEU A 14 8.783 8.082 -1.590 1.00 22.30 C ATOM 252 O LEU A 14 7.589 7.783 -1.584 1.00 5.22 O ATOM 253 CB LEU A 14 8.909 10.571 -1.798 1.00 23.32 C ATOM 254 CG LEU A 14 8.862 10.590 -0.270 1.00 4.00 C ATOM 255 CD1 LEU A 14 10.235 10.288 0.311 1.00 15.21 C ATOM 256 CD2 LEU A 14 8.353 11.933 0.232 1.00 24.54 C ATOM 0 H LEU A 14 7.862 9.619 -3.926 1.00 61.31 H new ATOM 0 HA LEU A 14 10.381 9.171 -2.499 1.00 72.40 H new ATOM 0 HB2 LEU A 14 9.617 11.330 -2.129 1.00 23.32 H new ATOM 0 HB3 LEU A 14 7.929 10.863 -2.175 1.00 23.32 H new ATOM 0 HG LEU A 14 8.171 9.815 0.062 1.00 4.00 H new ATOM 0 HD11 LEU A 14 10.181 10.306 1.400 1.00 15.21 H new ATOM 0 HD12 LEU A 14 10.561 9.302 -0.020 1.00 15.21 H new ATOM 0 HD13 LEU A 14 10.948 11.039 -0.030 1.00 15.21 H new ATOM 0 HD21 LEU A 14 8.326 11.928 1.322 1.00 24.54 H new ATOM 0 HD22 LEU A 14 9.018 12.725 -0.111 1.00 24.54 H new ATOM 0 HD23 LEU A 14 7.349 12.109 -0.155 1.00 24.54 H new ATOM 268 N TYR A 15 9.693 7.436 -0.871 1.00 63.04 N ATOM 269 CA TYR A 15 9.334 6.311 -0.014 1.00 15.21 C ATOM 270 C TYR A 15 8.835 6.797 1.343 1.00 24.14 C ATOM 271 O TYR A 15 9.304 7.809 1.865 1.00 23.12 O ATOM 272 CB TYR A 15 10.535 5.383 0.175 1.00 12.34 C ATOM 273 CG TYR A 15 10.736 4.413 -0.967 1.00 14.12 C ATOM 274 CD1 TYR A 15 10.067 3.196 -0.997 1.00 0.23 C ATOM 275 CD2 TYR A 15 11.597 4.713 -2.016 1.00 22.44 C ATOM 276 CE1 TYR A 15 10.248 2.306 -2.038 1.00 22.42 C ATOM 277 CE2 TYR A 15 11.783 3.830 -3.062 1.00 63.33 C ATOM 278 CZ TYR A 15 11.107 2.628 -3.068 1.00 11.11 C ATOM 279 OH TYR A 15 11.291 1.746 -4.107 1.00 74.43 O ATOM 0 H TYR A 15 10.685 7.671 -0.864 1.00 63.04 H new ATOM 0 HA TYR A 15 8.530 5.759 -0.501 1.00 15.21 H new ATOM 0 HB2 TYR A 15 11.435 5.987 0.291 1.00 12.34 H new ATOM 0 HB3 TYR A 15 10.407 4.821 1.100 1.00 12.34 H new ATOM 0 HD1 TYR A 15 9.393 2.941 -0.192 1.00 0.23 H new ATOM 0 HD2 TYR A 15 12.130 5.652 -2.013 1.00 22.44 H new ATOM 0 HE1 TYR A 15 9.720 1.364 -2.045 1.00 22.42 H new ATOM 0 HE2 TYR A 15 12.454 4.080 -3.871 1.00 63.33 H new ATOM 0 HH TYR A 15 11.926 2.125 -4.750 1.00 74.43 H new ATOM 289 N THR A 16 7.878 6.069 1.909 1.00 5.02 N ATOM 290 CA THR A 16 7.312 6.424 3.205 1.00 32.31 C ATOM 291 C THR A 16 6.321 5.368 3.681 1.00 61.22 C ATOM 292 O THR A 16 6.037 4.403 2.970 1.00 54.42 O ATOM 293 CB THR A 16 6.603 7.790 3.153 1.00 2.21 C ATOM 294 OG1 THR A 16 6.209 8.189 4.471 1.00 32.25 O ATOM 295 CG2 THR A 16 5.381 7.732 2.248 1.00 51.43 C ATOM 0 H THR A 16 7.478 5.229 1.490 1.00 5.02 H new ATOM 0 HA THR A 16 8.143 6.481 3.908 1.00 32.31 H new ATOM 0 HB THR A 16 7.302 8.521 2.747 1.00 2.21 H new ATOM 0 HG1 THR A 16 5.761 9.059 4.429 1.00 32.25 H new ATOM 0 HG21 THR A 16 4.897 8.708 2.227 1.00 51.43 H new ATOM 0 HG22 THR A 16 5.688 7.458 1.239 1.00 51.43 H new ATOM 0 HG23 THR A 16 4.681 6.988 2.629 1.00 51.43 H new ATOM 303 N LEU A 17 5.798 5.557 4.888 1.00 34.42 N ATOM 304 CA LEU A 17 4.836 4.619 5.458 1.00 4.41 C ATOM 305 C LEU A 17 3.568 5.342 5.901 1.00 44.32 C ATOM 306 O LEU A 17 2.658 4.734 6.464 1.00 61.42 O ATOM 307 CB LEU A 17 5.457 3.882 6.646 1.00 21.41 C ATOM 308 CG LEU A 17 6.436 2.758 6.300 1.00 20.31 C ATOM 309 CD1 LEU A 17 7.507 2.634 7.374 1.00 22.52 C ATOM 310 CD2 LEU A 17 5.696 1.440 6.128 1.00 23.44 C ATOM 0 H LEU A 17 6.023 6.349 5.490 1.00 34.42 H new ATOM 0 HA LEU A 17 4.570 3.896 4.687 1.00 4.41 H new ATOM 0 HB2 LEU A 17 5.976 4.610 7.269 1.00 21.41 H new ATOM 0 HB3 LEU A 17 4.652 3.463 7.249 1.00 21.41 H new ATOM 0 HG LEU A 17 6.923 3.004 5.356 1.00 20.31 H new ATOM 0 HD11 LEU A 17 8.194 1.830 7.111 1.00 22.52 H new ATOM 0 HD12 LEU A 17 8.057 3.572 7.449 1.00 22.52 H new ATOM 0 HD13 LEU A 17 7.037 2.411 8.332 1.00 22.52 H new ATOM 0 HD21 LEU A 17 6.408 0.652 5.882 1.00 23.44 H new ATOM 0 HD22 LEU A 17 5.182 1.188 7.055 1.00 23.44 H new ATOM 0 HD23 LEU A 17 4.967 1.534 5.323 1.00 23.44 H new ATOM 322 N LYS A 18 3.515 6.644 5.641 1.00 21.53 N ATOM 323 CA LYS A 18 2.357 7.451 6.010 1.00 10.35 C ATOM 324 C LYS A 18 1.239 7.300 4.982 1.00 71.23 C ATOM 325 O LYS A 18 0.161 7.870 5.138 1.00 32.13 O ATOM 326 CB LYS A 18 2.755 8.924 6.132 1.00 22.12 C ATOM 327 CG LYS A 18 3.551 9.236 7.387 1.00 63.45 C ATOM 328 CD LYS A 18 2.657 9.752 8.502 1.00 41.22 C ATOM 329 CE LYS A 18 3.181 9.343 9.871 1.00 0.15 C ATOM 330 NZ LYS A 18 2.336 9.884 10.972 1.00 12.43 N ATOM 0 H LYS A 18 4.260 7.163 5.176 1.00 21.53 H new ATOM 0 HA LYS A 18 1.991 7.098 6.974 1.00 10.35 H new ATOM 0 HB2 LYS A 18 3.343 9.206 5.259 1.00 22.12 H new ATOM 0 HB3 LYS A 18 1.854 9.537 6.121 1.00 22.12 H new ATOM 0 HG2 LYS A 18 4.070 8.338 7.722 1.00 63.45 H new ATOM 0 HG3 LYS A 18 4.315 9.979 7.159 1.00 63.45 H new ATOM 0 HD2 LYS A 18 2.593 10.839 8.445 1.00 41.22 H new ATOM 0 HD3 LYS A 18 1.647 9.366 8.368 1.00 41.22 H new ATOM 0 HE2 LYS A 18 3.212 8.256 9.938 1.00 0.15 H new ATOM 0 HE3 LYS A 18 4.204 9.699 9.990 1.00 0.15 H new ATOM 0 HZ1 LYS A 18 2.726 9.584 11.888 1.00 12.43 H new ATOM 0 HZ2 LYS A 18 2.326 10.923 10.924 1.00 12.43 H new ATOM 0 HZ3 LYS A 18 1.365 9.524 10.874 1.00 12.43 H new ATOM 344 N GLU A 19 1.506 6.525 3.935 1.00 20.35 N ATOM 345 CA GLU A 19 0.521 6.299 2.883 1.00 4.32 C ATOM 346 C GLU A 19 0.167 7.606 2.179 1.00 52.03 C ATOM 347 O GLU A 19 -0.787 7.667 1.403 1.00 20.40 O ATOM 348 CB GLU A 19 -0.744 5.664 3.466 1.00 61.24 C ATOM 349 CG GLU A 19 -0.482 4.369 4.218 1.00 23.11 C ATOM 350 CD GLU A 19 -1.452 3.267 3.836 1.00 41.43 C ATOM 351 OE1 GLU A 19 -1.642 3.040 2.623 1.00 62.31 O ATOM 352 OE2 GLU A 19 -2.018 2.632 4.750 1.00 31.24 O ATOM 0 H GLU A 19 2.394 6.044 3.793 1.00 20.35 H new ATOM 0 HA GLU A 19 0.958 5.619 2.152 1.00 4.32 H new ATOM 0 HB2 GLU A 19 -1.221 6.376 4.140 1.00 61.24 H new ATOM 0 HB3 GLU A 19 -1.449 5.469 2.658 1.00 61.24 H new ATOM 0 HG2 GLU A 19 0.537 4.037 4.018 1.00 23.11 H new ATOM 0 HG3 GLU A 19 -0.552 4.555 5.290 1.00 23.11 H new ATOM 359 N ILE A 20 0.943 8.649 2.455 1.00 33.51 N ATOM 360 CA ILE A 20 0.714 9.953 1.847 1.00 23.32 C ATOM 361 C ILE A 20 2.029 10.677 1.585 1.00 1.31 C ATOM 362 O ILE A 20 2.902 10.733 2.452 1.00 62.21 O ATOM 363 CB ILE A 20 -0.179 10.838 2.736 1.00 2.41 C ATOM 364 CG1 ILE A 20 -1.549 10.186 2.934 1.00 73.14 C ATOM 365 CG2 ILE A 20 -0.330 12.223 2.124 1.00 40.53 C ATOM 366 CD1 ILE A 20 -2.378 10.128 1.670 1.00 71.14 C ATOM 0 H ILE A 20 1.736 8.616 3.096 1.00 33.51 H new ATOM 0 HA ILE A 20 0.207 9.775 0.899 1.00 23.32 H new ATOM 0 HB ILE A 20 0.297 10.942 3.711 1.00 2.41 H new ATOM 0 HG12 ILE A 20 -1.409 9.174 3.314 1.00 73.14 H new ATOM 0 HG13 ILE A 20 -2.099 10.739 3.695 1.00 73.14 H new ATOM 0 HG21 ILE A 20 -0.964 12.837 2.764 1.00 40.53 H new ATOM 0 HG22 ILE A 20 0.651 12.689 2.031 1.00 40.53 H new ATOM 0 HG23 ILE A 20 -0.785 12.137 1.137 1.00 40.53 H new ATOM 0 HD11 ILE A 20 -3.336 9.654 1.884 1.00 71.14 H new ATOM 0 HD12 ILE A 20 -2.549 11.139 1.300 1.00 71.14 H new ATOM 0 HD13 ILE A 20 -1.848 9.549 0.913 1.00 71.14 H new ATOM 378 N CYS A 21 2.164 11.233 0.385 1.00 42.14 N ATOM 379 CA CYS A 21 3.374 11.955 0.009 1.00 4.51 C ATOM 380 C CYS A 21 3.426 13.319 0.691 1.00 73.33 C ATOM 381 O CYS A 21 2.604 14.199 0.438 1.00 22.23 O ATOM 382 CB CYS A 21 3.439 12.128 -1.509 1.00 24.42 C ATOM 383 SG CYS A 21 4.927 12.971 -2.094 1.00 43.41 S ATOM 0 H CYS A 21 1.451 11.197 -0.343 1.00 42.14 H new ATOM 0 HA CYS A 21 4.234 11.371 0.338 1.00 4.51 H new ATOM 0 HB2 CYS A 21 3.383 11.146 -1.978 1.00 24.42 H new ATOM 0 HB3 CYS A 21 2.564 12.689 -1.838 1.00 24.42 H new ATOM 388 N PRO A 22 4.417 13.499 1.577 1.00 3.22 N ATOM 389 CA PRO A 22 4.601 14.753 2.314 1.00 3.32 C ATOM 390 C PRO A 22 5.066 15.893 1.413 1.00 24.22 C ATOM 391 O PRO A 22 5.147 17.044 1.843 1.00 73.32 O ATOM 392 CB PRO A 22 5.682 14.406 3.340 1.00 14.24 C ATOM 393 CG PRO A 22 6.438 13.278 2.727 1.00 33.11 C ATOM 394 CD PRO A 22 5.434 12.494 1.927 1.00 51.11 C ATOM 0 HA PRO A 22 3.670 15.105 2.758 1.00 3.32 H new ATOM 0 HB2 PRO A 22 6.332 15.259 3.534 1.00 14.24 H new ATOM 0 HB3 PRO A 22 5.243 14.116 4.295 1.00 14.24 H new ATOM 0 HG2 PRO A 22 7.242 13.647 2.090 1.00 33.11 H new ATOM 0 HG3 PRO A 22 6.899 12.655 3.493 1.00 33.11 H new ATOM 0 HD2 PRO A 22 5.885 12.052 1.038 1.00 51.11 H new ATOM 0 HD3 PRO A 22 5.008 11.676 2.508 1.00 51.11 H new ATOM 402 N LYS A 23 5.370 15.565 0.162 1.00 74.41 N ATOM 403 CA LYS A 23 5.826 16.561 -0.801 1.00 62.34 C ATOM 404 C LYS A 23 4.643 17.242 -1.481 1.00 62.43 C ATOM 405 O LYS A 23 4.475 18.459 -1.382 1.00 32.53 O ATOM 406 CB LYS A 23 6.726 15.908 -1.853 1.00 22.41 C ATOM 407 CG LYS A 23 8.088 16.568 -1.983 1.00 25.21 C ATOM 408 CD LYS A 23 9.122 15.606 -2.545 1.00 2.13 C ATOM 409 CE LYS A 23 10.445 15.714 -1.801 1.00 34.23 C ATOM 410 NZ LYS A 23 11.205 16.932 -2.194 1.00 4.31 N ATOM 0 H LYS A 23 5.309 14.617 -0.209 1.00 74.41 H new ATOM 0 HA LYS A 23 6.397 17.317 -0.262 1.00 62.34 H new ATOM 0 HB2 LYS A 23 6.864 14.857 -1.599 1.00 22.41 H new ATOM 0 HB3 LYS A 23 6.223 15.939 -2.819 1.00 22.41 H new ATOM 0 HG2 LYS A 23 8.010 17.440 -2.632 1.00 25.21 H new ATOM 0 HG3 LYS A 23 8.415 16.925 -1.007 1.00 25.21 H new ATOM 0 HD2 LYS A 23 8.746 14.585 -2.476 1.00 2.13 H new ATOM 0 HD3 LYS A 23 9.280 15.817 -3.603 1.00 2.13 H new ATOM 0 HE2 LYS A 23 10.257 15.734 -0.727 1.00 34.23 H new ATOM 0 HE3 LYS A 23 11.048 14.829 -2.003 1.00 34.23 H new ATOM 0 HZ1 LYS A 23 12.100 16.969 -1.665 1.00 4.31 H new ATOM 0 HZ2 LYS A 23 11.407 16.901 -3.214 1.00 4.31 H new ATOM 0 HZ3 LYS A 23 10.640 17.778 -1.978 1.00 4.31 H new ATOM 424 N CYS A 24 3.826 16.452 -2.168 1.00 51.25 N ATOM 425 CA CYS A 24 2.658 16.979 -2.863 1.00 31.23 C ATOM 426 C CYS A 24 1.377 16.644 -2.106 1.00 45.22 C ATOM 427 O CYS A 24 0.466 17.467 -2.011 1.00 63.21 O ATOM 428 CB CYS A 24 2.586 16.416 -4.284 1.00 44.04 C ATOM 429 SG CYS A 24 2.609 14.610 -4.363 1.00 2.10 S ATOM 0 H CYS A 24 3.951 15.444 -2.259 1.00 51.25 H new ATOM 0 HA CYS A 24 2.756 18.063 -2.914 1.00 31.23 H new ATOM 0 HB2 CYS A 24 1.676 16.779 -4.761 1.00 44.04 H new ATOM 0 HB3 CYS A 24 3.425 16.805 -4.861 1.00 44.04 H new ATOM 434 N GLY A 25 1.313 15.430 -1.567 1.00 0.21 N ATOM 435 CA GLY A 25 0.139 15.007 -0.826 1.00 74.12 C ATOM 436 C GLY A 25 -0.465 13.731 -1.377 1.00 33.31 C ATOM 437 O GLY A 25 -1.111 12.978 -0.649 1.00 44.35 O ATOM 0 H GLY A 25 2.054 14.732 -1.630 1.00 0.21 H new ATOM 0 HA2 GLY A 25 0.408 14.856 0.220 1.00 74.12 H new ATOM 0 HA3 GLY A 25 -0.608 15.800 -0.852 1.00 74.12 H new ATOM 441 N GLU A 26 -0.256 13.487 -2.667 1.00 40.41 N ATOM 442 CA GLU A 26 -0.787 12.293 -3.314 1.00 5.20 C ATOM 443 C GLU A 26 -0.464 11.044 -2.501 1.00 60.04 C ATOM 444 O GLU A 26 0.668 10.854 -2.055 1.00 42.42 O ATOM 445 CB GLU A 26 -0.218 12.157 -4.728 1.00 64.22 C ATOM 446 CG GLU A 26 -0.894 11.076 -5.554 1.00 21.55 C ATOM 447 CD GLU A 26 -2.401 11.062 -5.375 1.00 75.53 C ATOM 448 OE1 GLU A 26 -3.006 12.154 -5.363 1.00 23.41 O ATOM 449 OE2 GLU A 26 -2.973 9.959 -5.248 1.00 74.42 O ATOM 0 H GLU A 26 0.277 14.100 -3.284 1.00 40.41 H new ATOM 0 HA GLU A 26 -1.871 12.395 -3.374 1.00 5.20 H new ATOM 0 HB2 GLU A 26 -0.317 13.112 -5.244 1.00 64.22 H new ATOM 0 HB3 GLU A 26 0.848 11.939 -4.662 1.00 64.22 H new ATOM 0 HG2 GLU A 26 -0.658 11.228 -6.607 1.00 21.55 H new ATOM 0 HG3 GLU A 26 -0.489 10.103 -5.274 1.00 21.55 H new ATOM 456 N LYS A 27 -1.466 10.192 -2.311 1.00 2.22 N ATOM 457 CA LYS A 27 -1.291 8.960 -1.552 1.00 71.01 C ATOM 458 C LYS A 27 -0.183 8.103 -2.155 1.00 51.54 C ATOM 459 O LYS A 27 0.003 8.074 -3.372 1.00 24.34 O ATOM 460 CB LYS A 27 -2.600 8.168 -1.517 1.00 50.25 C ATOM 461 CG LYS A 27 -3.249 8.003 -2.880 1.00 50.34 C ATOM 462 CD LYS A 27 -4.524 8.822 -2.994 1.00 71.34 C ATOM 463 CE LYS A 27 -5.702 8.109 -2.349 1.00 44.31 C ATOM 464 NZ LYS A 27 -6.838 9.037 -2.092 1.00 34.05 N ATOM 0 H LYS A 27 -2.409 10.333 -2.673 1.00 2.22 H new ATOM 0 HA LYS A 27 -1.007 9.227 -0.534 1.00 71.01 H new ATOM 0 HB2 LYS A 27 -2.407 7.182 -1.094 1.00 50.25 H new ATOM 0 HB3 LYS A 27 -3.300 8.669 -0.849 1.00 50.25 H new ATOM 0 HG2 LYS A 27 -2.548 8.309 -3.657 1.00 50.34 H new ATOM 0 HG3 LYS A 27 -3.475 6.951 -3.051 1.00 50.34 H new ATOM 0 HD2 LYS A 27 -4.379 9.792 -2.518 1.00 71.34 H new ATOM 0 HD3 LYS A 27 -4.743 9.012 -4.045 1.00 71.34 H new ATOM 0 HE2 LYS A 27 -6.035 7.298 -2.997 1.00 44.31 H new ATOM 0 HE3 LYS A 27 -5.383 7.656 -1.410 1.00 44.31 H new ATOM 0 HZ1 LYS A 27 -7.621 8.513 -1.652 1.00 34.05 H new ATOM 0 HZ2 LYS A 27 -6.528 9.797 -1.454 1.00 34.05 H new ATOM 0 HZ3 LYS A 27 -7.159 9.450 -2.991 1.00 34.05 H new ATOM 478 N THR A 28 0.553 7.404 -1.296 1.00 42.02 N ATOM 479 CA THR A 28 1.644 6.546 -1.744 1.00 25.54 C ATOM 480 C THR A 28 1.157 5.121 -1.984 1.00 12.30 C ATOM 481 O THR A 28 0.219 4.657 -1.338 1.00 0.15 O ATOM 482 CB THR A 28 2.793 6.518 -0.719 1.00 2.22 C ATOM 483 OG1 THR A 28 2.269 6.624 0.609 1.00 43.13 O ATOM 484 CG2 THR A 28 3.774 7.653 -0.976 1.00 5.33 C ATOM 0 H THR A 28 0.413 7.415 -0.286 1.00 42.02 H new ATOM 0 HA THR A 28 2.013 6.964 -2.680 1.00 25.54 H new ATOM 0 HB THR A 28 3.322 5.571 -0.824 1.00 2.22 H new ATOM 0 HG1 THR A 28 3.006 6.604 1.254 1.00 43.13 H new ATOM 0 HG21 THR A 28 4.577 7.613 -0.240 1.00 5.33 H new ATOM 0 HG22 THR A 28 4.194 7.552 -1.977 1.00 5.33 H new ATOM 0 HG23 THR A 28 3.255 8.608 -0.895 1.00 5.33 H new ATOM 492 N VAL A 29 1.804 4.431 -2.918 1.00 31.32 N ATOM 493 CA VAL A 29 1.439 3.057 -3.243 1.00 62.44 C ATOM 494 C VAL A 29 2.661 2.145 -3.221 1.00 34.31 C ATOM 495 O VAL A 29 3.777 2.577 -3.508 1.00 0.42 O ATOM 496 CB VAL A 29 0.769 2.967 -4.627 1.00 21.11 C ATOM 497 CG1 VAL A 29 -0.368 3.971 -4.736 1.00 42.04 C ATOM 498 CG2 VAL A 29 1.793 3.186 -5.730 1.00 64.12 C ATOM 0 H VAL A 29 2.583 4.801 -3.463 1.00 31.32 H new ATOM 0 HA VAL A 29 0.730 2.729 -2.483 1.00 62.44 H new ATOM 0 HB VAL A 29 0.351 1.967 -4.745 1.00 21.11 H new ATOM 0 HG11 VAL A 29 -0.829 3.893 -5.720 1.00 42.04 H new ATOM 0 HG12 VAL A 29 -1.113 3.762 -3.968 1.00 42.04 H new ATOM 0 HG13 VAL A 29 0.022 4.979 -4.597 1.00 42.04 H new ATOM 0 HG21 VAL A 29 1.302 3.119 -6.701 1.00 64.12 H new ATOM 0 HG22 VAL A 29 2.243 4.173 -5.618 1.00 64.12 H new ATOM 0 HG23 VAL A 29 2.569 2.424 -5.663 1.00 64.12 H new ATOM 508 N ILE A 30 2.441 0.879 -2.881 1.00 23.54 N ATOM 509 CA ILE A 30 3.523 -0.096 -2.823 1.00 15.42 C ATOM 510 C ILE A 30 4.181 -0.267 -4.189 1.00 1.12 C ATOM 511 O ILE A 30 3.583 -0.785 -5.133 1.00 64.14 O ATOM 512 CB ILE A 30 3.022 -1.466 -2.332 1.00 62.31 C ATOM 513 CG1 ILE A 30 2.360 -1.330 -0.959 1.00 3.43 C ATOM 514 CG2 ILE A 30 4.171 -2.461 -2.275 1.00 13.11 C ATOM 515 CD1 ILE A 30 3.311 -0.877 0.127 1.00 23.10 C ATOM 0 H ILE A 30 1.523 0.505 -2.642 1.00 23.54 H new ATOM 0 HA ILE A 30 4.256 0.288 -2.114 1.00 15.42 H new ATOM 0 HB ILE A 30 2.279 -1.838 -3.037 1.00 62.31 H new ATOM 0 HG12 ILE A 30 1.537 -0.619 -1.030 1.00 3.43 H new ATOM 0 HG13 ILE A 30 1.928 -2.290 -0.676 1.00 3.43 H new ATOM 0 HG21 ILE A 30 3.801 -3.425 -1.926 1.00 13.11 H new ATOM 0 HG22 ILE A 30 4.602 -2.576 -3.269 1.00 13.11 H new ATOM 0 HG23 ILE A 30 4.935 -2.096 -1.589 1.00 13.11 H new ATOM 0 HD11 ILE A 30 2.774 -0.802 1.073 1.00 23.10 H new ATOM 0 HD12 ILE A 30 4.121 -1.599 0.226 1.00 23.10 H new ATOM 0 HD13 ILE A 30 3.724 0.098 -0.134 1.00 23.10 H new ATOM 527 N PRO A 31 5.442 0.175 -4.297 1.00 12.23 N ATOM 528 CA PRO A 31 6.210 0.079 -5.542 1.00 0.55 C ATOM 529 C PRO A 31 6.582 -1.359 -5.885 1.00 33.22 C ATOM 530 O PRO A 31 7.084 -1.639 -6.974 1.00 51.32 O ATOM 531 CB PRO A 31 7.468 0.900 -5.247 1.00 11.34 C ATOM 532 CG PRO A 31 7.614 0.850 -3.766 1.00 4.52 C ATOM 533 CD PRO A 31 6.216 0.803 -3.214 1.00 71.45 C ATOM 0 HA PRO A 31 5.641 0.438 -6.400 1.00 0.55 H new ATOM 0 HB2 PRO A 31 8.341 0.479 -5.745 1.00 11.34 H new ATOM 0 HB3 PRO A 31 7.363 1.926 -5.600 1.00 11.34 H new ATOM 0 HG2 PRO A 31 8.184 -0.027 -3.459 1.00 4.52 H new ATOM 0 HG3 PRO A 31 8.150 1.724 -3.397 1.00 4.52 H new ATOM 0 HD2 PRO A 31 6.167 0.220 -2.295 1.00 71.45 H new ATOM 0 HD3 PRO A 31 5.843 1.800 -2.980 1.00 71.45 H new ATOM 541 N LYS A 32 6.330 -2.268 -4.950 1.00 75.53 N ATOM 542 CA LYS A 32 6.636 -3.681 -5.153 1.00 1.54 C ATOM 543 C LYS A 32 5.402 -4.544 -4.916 1.00 1.13 C ATOM 544 O LYS A 32 5.267 -5.207 -3.888 1.00 5.24 O ATOM 545 CB LYS A 32 7.765 -4.118 -4.217 1.00 55.53 C ATOM 546 CG LYS A 32 9.128 -4.163 -4.888 1.00 1.33 C ATOM 547 CD LYS A 32 10.200 -4.669 -3.938 1.00 3.11 C ATOM 548 CE LYS A 32 10.651 -3.581 -2.975 1.00 4.10 C ATOM 549 NZ LYS A 32 11.914 -3.946 -2.277 1.00 75.03 N ATOM 0 H LYS A 32 5.915 -2.053 -4.044 1.00 75.53 H new ATOM 0 HA LYS A 32 6.957 -3.813 -6.186 1.00 1.54 H new ATOM 0 HB2 LYS A 32 7.809 -3.434 -3.370 1.00 55.53 H new ATOM 0 HB3 LYS A 32 7.533 -5.105 -3.818 1.00 55.53 H new ATOM 0 HG2 LYS A 32 9.082 -4.810 -5.764 1.00 1.33 H new ATOM 0 HG3 LYS A 32 9.394 -3.167 -5.241 1.00 1.33 H new ATOM 0 HD2 LYS A 32 9.816 -5.519 -3.374 1.00 3.11 H new ATOM 0 HD3 LYS A 32 11.056 -5.027 -4.511 1.00 3.11 H new ATOM 0 HE2 LYS A 32 10.795 -2.649 -3.522 1.00 4.10 H new ATOM 0 HE3 LYS A 32 9.868 -3.401 -2.238 1.00 4.10 H new ATOM 0 HZ1 LYS A 32 12.187 -3.179 -1.630 1.00 75.03 H new ATOM 0 HZ2 LYS A 32 11.770 -4.822 -1.734 1.00 75.03 H new ATOM 0 HZ3 LYS A 32 12.668 -4.093 -2.978 1.00 75.03 H new ATOM 563 N PRO A 33 4.479 -4.539 -5.890 1.00 60.22 N ATOM 564 CA PRO A 33 3.241 -5.320 -5.811 1.00 21.05 C ATOM 565 C PRO A 33 3.491 -6.819 -5.922 1.00 51.34 C ATOM 566 O PRO A 33 4.581 -7.265 -6.285 1.00 61.41 O ATOM 567 CB PRO A 33 2.432 -4.823 -7.012 1.00 4.23 C ATOM 568 CG PRO A 33 3.452 -4.326 -7.977 1.00 4.12 C ATOM 569 CD PRO A 33 4.574 -3.773 -7.144 1.00 52.22 C ATOM 0 HA PRO A 33 2.737 -5.187 -4.854 1.00 21.05 H new ATOM 0 HB2 PRO A 33 1.834 -5.625 -7.446 1.00 4.23 H new ATOM 0 HB3 PRO A 33 1.741 -4.031 -6.723 1.00 4.23 H new ATOM 0 HG2 PRO A 33 3.805 -5.131 -8.622 1.00 4.12 H new ATOM 0 HG3 PRO A 33 3.033 -3.558 -8.627 1.00 4.12 H new ATOM 0 HD2 PRO A 33 5.540 -3.913 -7.628 1.00 52.22 H new ATOM 0 HD3 PRO A 33 4.456 -2.703 -6.971 1.00 52.22 H new ATOM 577 N PRO A 34 2.462 -7.618 -5.603 1.00 50.13 N ATOM 578 CA PRO A 34 2.548 -9.080 -5.660 1.00 4.31 C ATOM 579 C PRO A 34 2.634 -9.600 -7.090 1.00 54.12 C ATOM 580 O PRO A 34 2.763 -8.824 -8.037 1.00 73.51 O ATOM 581 CB PRO A 34 1.243 -9.537 -5.003 1.00 24.53 C ATOM 582 CG PRO A 34 0.299 -8.403 -5.206 1.00 12.10 C ATOM 583 CD PRO A 34 1.136 -7.155 -5.162 1.00 55.31 C ATOM 0 HA PRO A 34 3.445 -9.455 -5.167 1.00 4.31 H new ATOM 0 HB2 PRO A 34 0.868 -10.451 -5.462 1.00 24.53 H new ATOM 0 HB3 PRO A 34 1.386 -9.748 -3.943 1.00 24.53 H new ATOM 0 HG2 PRO A 34 -0.219 -8.492 -6.161 1.00 12.10 H new ATOM 0 HG3 PRO A 34 -0.466 -8.388 -4.429 1.00 12.10 H new ATOM 0 HD2 PRO A 34 0.740 -6.382 -5.821 1.00 55.31 H new ATOM 0 HD3 PRO A 34 1.172 -6.730 -4.159 1.00 55.31 H new ATOM 591 N LYS A 35 2.565 -10.919 -7.240 1.00 13.23 N ATOM 592 CA LYS A 35 2.634 -11.543 -8.556 1.00 73.22 C ATOM 593 C LYS A 35 1.300 -11.422 -9.287 1.00 53.15 C ATOM 594 O LYS A 35 0.237 -11.438 -8.666 1.00 14.55 O ATOM 595 CB LYS A 35 3.022 -13.018 -8.423 1.00 12.31 C ATOM 596 CG LYS A 35 4.519 -13.262 -8.505 1.00 15.04 C ATOM 597 CD LYS A 35 5.262 -12.550 -7.388 1.00 60.44 C ATOM 598 CE LYS A 35 4.978 -13.186 -6.035 1.00 1.45 C ATOM 599 NZ LYS A 35 5.545 -14.559 -5.937 1.00 41.21 N ATOM 0 H LYS A 35 2.461 -11.576 -6.467 1.00 13.23 H new ATOM 0 HA LYS A 35 3.395 -11.023 -9.138 1.00 73.22 H new ATOM 0 HB2 LYS A 35 2.652 -13.398 -7.471 1.00 12.31 H new ATOM 0 HB3 LYS A 35 2.526 -13.588 -9.208 1.00 12.31 H new ATOM 0 HG2 LYS A 35 4.718 -14.332 -8.451 1.00 15.04 H new ATOM 0 HG3 LYS A 35 4.892 -12.917 -9.469 1.00 15.04 H new ATOM 0 HD2 LYS A 35 6.333 -12.578 -7.587 1.00 60.44 H new ATOM 0 HD3 LYS A 35 4.969 -11.500 -7.366 1.00 60.44 H new ATOM 0 HE2 LYS A 35 5.398 -12.563 -5.246 1.00 1.45 H new ATOM 0 HE3 LYS A 35 3.901 -13.225 -5.871 1.00 1.45 H new ATOM 0 HZ1 LYS A 35 5.543 -14.865 -4.943 1.00 41.21 H new ATOM 0 HZ2 LYS A 35 4.968 -15.214 -6.502 1.00 41.21 H new ATOM 0 HZ3 LYS A 35 6.521 -14.558 -6.297 1.00 41.21 H new ATOM 613 N PHE A 36 1.364 -11.303 -10.609 1.00 43.41 N ATOM 614 CA PHE A 36 0.161 -11.179 -11.425 1.00 65.14 C ATOM 615 C PHE A 36 -0.611 -12.495 -11.457 1.00 74.23 C ATOM 616 O PHE A 36 -1.840 -12.504 -11.518 1.00 74.50 O ATOM 617 CB PHE A 36 0.526 -10.753 -12.848 1.00 75.15 C ATOM 618 CG PHE A 36 1.240 -9.434 -12.915 1.00 43.33 C ATOM 619 CD1 PHE A 36 0.660 -8.290 -12.386 1.00 53.04 C ATOM 620 CD2 PHE A 36 2.489 -9.335 -13.505 1.00 53.44 C ATOM 621 CE1 PHE A 36 1.315 -7.074 -12.446 1.00 62.31 C ATOM 622 CE2 PHE A 36 3.148 -8.122 -13.567 1.00 4.40 C ATOM 623 CZ PHE A 36 2.560 -6.989 -13.037 1.00 75.32 C ATOM 0 H PHE A 36 2.236 -11.290 -11.138 1.00 43.41 H new ATOM 0 HA PHE A 36 -0.475 -10.415 -10.978 1.00 65.14 H new ATOM 0 HB2 PHE A 36 1.155 -11.521 -13.298 1.00 75.15 H new ATOM 0 HB3 PHE A 36 -0.384 -10.695 -13.446 1.00 75.15 H new ATOM 0 HD1 PHE A 36 -0.314 -8.350 -11.922 1.00 53.04 H new ATOM 0 HD2 PHE A 36 2.954 -10.216 -13.922 1.00 53.44 H new ATOM 0 HE1 PHE A 36 0.853 -6.191 -12.031 1.00 62.31 H new ATOM 0 HE2 PHE A 36 4.122 -8.059 -14.029 1.00 4.40 H new ATOM 0 HZ PHE A 36 3.073 -6.040 -13.085 1.00 75.32 H new ATOM 633 N SER A 37 0.121 -13.605 -11.417 1.00 13.25 N ATOM 634 CA SER A 37 -0.494 -14.926 -11.447 1.00 73.02 C ATOM 635 C SER A 37 -0.282 -15.655 -10.124 1.00 45.13 C ATOM 636 O SER A 37 0.668 -15.371 -9.391 1.00 70.31 O ATOM 637 CB SER A 37 0.083 -15.755 -12.597 1.00 42.34 C ATOM 638 OG SER A 37 0.416 -14.933 -13.701 1.00 13.31 O ATOM 0 H SER A 37 1.140 -13.615 -11.364 1.00 13.25 H new ATOM 0 HA SER A 37 -1.565 -14.797 -11.603 1.00 73.02 H new ATOM 0 HB2 SER A 37 0.970 -16.288 -12.256 1.00 42.34 H new ATOM 0 HB3 SER A 37 -0.642 -16.508 -12.906 1.00 42.34 H new ATOM 0 HG SER A 37 0.784 -15.486 -14.421 1.00 13.31 H new ATOM 644 N LEU A 38 -1.171 -16.594 -9.822 1.00 10.13 N ATOM 645 CA LEU A 38 -1.083 -17.364 -8.586 1.00 10.23 C ATOM 646 C LEU A 38 0.129 -18.291 -8.608 1.00 11.35 C ATOM 647 O LEU A 38 0.754 -18.532 -7.577 1.00 70.31 O ATOM 648 CB LEU A 38 -2.360 -18.179 -8.378 1.00 34.23 C ATOM 649 CG LEU A 38 -3.525 -17.445 -7.712 1.00 71.15 C ATOM 650 CD1 LEU A 38 -4.850 -18.070 -8.117 1.00 64.41 C ATOM 651 CD2 LEU A 38 -3.367 -17.458 -6.199 1.00 12.31 C ATOM 0 H LEU A 38 -1.962 -16.841 -10.417 1.00 10.13 H new ATOM 0 HA LEU A 38 -0.967 -16.665 -7.758 1.00 10.23 H new ATOM 0 HB2 LEU A 38 -2.695 -18.546 -9.348 1.00 34.23 H new ATOM 0 HB3 LEU A 38 -2.115 -19.053 -7.774 1.00 34.23 H new ATOM 0 HG LEU A 38 -3.518 -16.408 -8.049 1.00 71.15 H new ATOM 0 HD11 LEU A 38 -5.667 -17.535 -7.634 1.00 64.41 H new ATOM 0 HD12 LEU A 38 -4.966 -18.009 -9.199 1.00 64.41 H new ATOM 0 HD13 LEU A 38 -4.868 -19.115 -7.809 1.00 64.41 H new ATOM 0 HD21 LEU A 38 -4.204 -16.931 -5.741 1.00 12.31 H new ATOM 0 HD22 LEU A 38 -3.348 -18.488 -5.844 1.00 12.31 H new ATOM 0 HD23 LEU A 38 -2.435 -16.963 -5.926 1.00 12.31 H new ATOM 663 N GLU A 39 0.453 -18.803 -9.790 1.00 51.44 N ATOM 664 CA GLU A 39 1.592 -19.701 -9.945 1.00 75.41 C ATOM 665 C GLU A 39 2.256 -19.509 -11.306 1.00 20.25 C ATOM 666 O GLU A 39 1.716 -19.914 -12.336 1.00 63.10 O ATOM 667 CB GLU A 39 1.146 -21.157 -9.784 1.00 14.33 C ATOM 668 CG GLU A 39 0.244 -21.388 -8.585 1.00 31.25 C ATOM 669 CD GLU A 39 -0.122 -22.848 -8.403 1.00 21.14 C ATOM 670 OE1 GLU A 39 0.653 -23.578 -7.751 1.00 15.31 O ATOM 671 OE2 GLU A 39 -1.186 -23.261 -8.911 1.00 15.31 O ATOM 0 H GLU A 39 -0.056 -18.612 -10.653 1.00 51.44 H new ATOM 0 HA GLU A 39 2.319 -19.462 -9.169 1.00 75.41 H new ATOM 0 HB2 GLU A 39 0.622 -21.470 -10.687 1.00 14.33 H new ATOM 0 HB3 GLU A 39 2.028 -21.790 -9.692 1.00 14.33 H new ATOM 0 HG2 GLU A 39 0.743 -21.027 -7.685 1.00 31.25 H new ATOM 0 HG3 GLU A 39 -0.667 -20.801 -8.702 1.00 31.25 H new ATOM 678 N ASP A 40 3.430 -18.888 -11.301 1.00 2.54 N ATOM 679 CA ASP A 40 4.169 -18.640 -12.534 1.00 61.02 C ATOM 680 C ASP A 40 5.362 -19.584 -12.650 1.00 43.42 C ATOM 681 O ASP A 40 5.974 -19.952 -11.647 1.00 12.12 O ATOM 682 CB ASP A 40 4.644 -17.187 -12.587 1.00 61.43 C ATOM 683 CG ASP A 40 5.211 -16.715 -11.262 1.00 74.51 C ATOM 684 OD1 ASP A 40 6.120 -17.389 -10.733 1.00 41.43 O ATOM 685 OD2 ASP A 40 4.745 -15.674 -10.755 1.00 43.43 O ATOM 0 H ASP A 40 3.891 -18.547 -10.457 1.00 2.54 H new ATOM 0 HA ASP A 40 3.499 -18.824 -13.374 1.00 61.02 H new ATOM 0 HB2 ASP A 40 5.404 -17.084 -13.362 1.00 61.43 H new ATOM 0 HB3 ASP A 40 3.810 -16.545 -12.871 1.00 61.43 H new ATOM 690 N ARG A 41 5.687 -19.970 -13.880 1.00 61.41 N ATOM 691 CA ARG A 41 6.805 -20.873 -14.126 1.00 13.53 C ATOM 692 C ARG A 41 8.120 -20.243 -13.677 1.00 61.44 C ATOM 693 O ARG A 41 8.771 -20.734 -12.753 1.00 14.35 O ATOM 694 CB ARG A 41 6.880 -21.231 -15.611 1.00 72.13 C ATOM 695 CG ARG A 41 7.592 -22.547 -15.885 1.00 11.13 C ATOM 696 CD ARG A 41 6.692 -23.738 -15.595 1.00 53.40 C ATOM 697 NE ARG A 41 5.762 -23.999 -16.690 1.00 22.03 N ATOM 698 CZ ARG A 41 4.785 -24.898 -16.625 1.00 12.30 C ATOM 699 NH1 ARG A 41 4.614 -25.617 -15.524 1.00 54.01 N ATOM 700 NH2 ARG A 41 3.978 -25.079 -17.663 1.00 51.43 N ATOM 0 H ARG A 41 5.192 -19.672 -14.721 1.00 61.41 H new ATOM 0 HA ARG A 41 6.641 -21.782 -13.547 1.00 13.53 H new ATOM 0 HB2 ARG A 41 5.869 -21.284 -16.015 1.00 72.13 H new ATOM 0 HB3 ARG A 41 7.395 -20.431 -16.143 1.00 72.13 H new ATOM 0 HG2 ARG A 41 7.914 -22.578 -16.926 1.00 11.13 H new ATOM 0 HG3 ARG A 41 8.491 -22.611 -15.271 1.00 11.13 H new ATOM 0 HD2 ARG A 41 7.305 -24.622 -15.421 1.00 53.40 H new ATOM 0 HD3 ARG A 41 6.131 -23.554 -14.679 1.00 53.40 H new ATOM 0 HE ARG A 41 5.868 -23.463 -17.551 1.00 22.03 H new ATOM 0 HH11 ARG A 41 5.233 -25.481 -14.725 1.00 54.01 H new ATOM 0 HH12 ARG A 41 3.864 -26.306 -15.476 1.00 54.01 H new ATOM 0 HH21 ARG A 41 4.107 -24.528 -18.512 1.00 51.43 H new ATOM 0 HH22 ARG A 41 3.229 -25.769 -17.612 1.00 51.43 H new ATOM 714 N TRP A 42 8.505 -19.156 -14.335 1.00 75.52 N ATOM 715 CA TRP A 42 9.744 -18.461 -14.004 1.00 4.12 C ATOM 716 C TRP A 42 9.456 -17.172 -13.242 1.00 41.11 C ATOM 717 O TRP A 42 10.308 -16.669 -12.510 1.00 51.34 O ATOM 718 CB TRP A 42 10.535 -18.150 -15.276 1.00 1.42 C ATOM 719 CG TRP A 42 11.392 -19.290 -15.735 1.00 12.32 C ATOM 720 CD1 TRP A 42 11.001 -20.584 -15.929 1.00 62.11 C ATOM 721 CD2 TRP A 42 12.787 -19.238 -16.056 1.00 30.11 C ATOM 722 NE1 TRP A 42 12.069 -21.339 -16.351 1.00 31.22 N ATOM 723 CE2 TRP A 42 13.175 -20.537 -16.438 1.00 3.34 C ATOM 724 CE3 TRP A 42 13.744 -18.219 -16.060 1.00 74.45 C ATOM 725 CZ2 TRP A 42 14.480 -20.842 -16.817 1.00 14.14 C ATOM 726 CZ3 TRP A 42 15.039 -18.525 -16.437 1.00 4.11 C ATOM 727 CH2 TRP A 42 15.397 -19.826 -16.813 1.00 21.41 C ATOM 0 H TRP A 42 7.978 -18.737 -15.101 1.00 75.52 H new ATOM 0 HA TRP A 42 10.339 -19.114 -13.366 1.00 4.12 H new ATOM 0 HB2 TRP A 42 9.840 -17.884 -16.072 1.00 1.42 H new ATOM 0 HB3 TRP A 42 11.166 -17.279 -15.099 1.00 1.42 H new ATOM 0 HD1 TRP A 42 10.000 -20.959 -15.774 1.00 62.11 H new ATOM 0 HE1 TRP A 42 12.042 -22.336 -16.565 1.00 31.22 H new ATOM 0 HE3 TRP A 42 13.477 -17.212 -15.774 1.00 74.45 H new ATOM 0 HZ2 TRP A 42 14.759 -21.845 -17.104 1.00 14.14 H new ATOM 0 HZ3 TRP A 42 15.788 -17.747 -16.442 1.00 4.11 H new ATOM 0 HH2 TRP A 42 16.416 -20.031 -17.105 1.00 21.41 H new ATOM 738 N GLY A 43 8.250 -16.642 -13.417 1.00 53.10 N ATOM 739 CA GLY A 43 7.872 -15.416 -12.739 1.00 40.34 C ATOM 740 C GLY A 43 8.617 -14.207 -13.269 1.00 1.41 C ATOM 741 O GLY A 43 8.116 -13.490 -14.136 1.00 62.44 O ATOM 0 H GLY A 43 7.527 -17.040 -14.017 1.00 53.10 H new ATOM 0 HA2 GLY A 43 6.800 -15.257 -12.853 1.00 40.34 H new ATOM 0 HA3 GLY A 43 8.067 -15.520 -11.672 1.00 40.34 H new ATOM 745 N LYS A 44 9.817 -13.976 -12.747 1.00 74.30 N ATOM 746 CA LYS A 44 10.633 -12.845 -13.172 1.00 73.41 C ATOM 747 C LYS A 44 10.786 -12.824 -14.690 1.00 31.53 C ATOM 748 O LYS A 44 10.928 -11.762 -15.295 1.00 52.35 O ATOM 749 CB LYS A 44 12.012 -12.908 -12.512 1.00 32.23 C ATOM 750 CG LYS A 44 12.921 -13.974 -13.100 1.00 62.41 C ATOM 751 CD LYS A 44 14.237 -14.062 -12.347 1.00 3.30 C ATOM 752 CE LYS A 44 15.353 -14.594 -13.234 1.00 0.34 C ATOM 753 NZ LYS A 44 16.694 -14.391 -12.621 1.00 11.13 N ATOM 0 H LYS A 44 10.246 -14.558 -12.028 1.00 74.30 H new ATOM 0 HA LYS A 44 10.129 -11.929 -12.862 1.00 73.41 H new ATOM 0 HB2 LYS A 44 12.496 -11.936 -12.609 1.00 32.23 H new ATOM 0 HB3 LYS A 44 11.887 -13.097 -11.446 1.00 32.23 H new ATOM 0 HG2 LYS A 44 12.418 -14.940 -13.069 1.00 62.41 H new ATOM 0 HG3 LYS A 44 13.115 -13.750 -14.149 1.00 62.41 H new ATOM 0 HD2 LYS A 44 14.509 -13.076 -11.971 1.00 3.30 H new ATOM 0 HD3 LYS A 44 14.119 -14.712 -11.480 1.00 3.30 H new ATOM 0 HE2 LYS A 44 15.195 -15.657 -13.418 1.00 0.34 H new ATOM 0 HE3 LYS A 44 15.317 -14.094 -14.202 1.00 0.34 H new ATOM 0 HZ1 LYS A 44 17.427 -14.767 -13.256 1.00 11.13 H new ATOM 0 HZ2 LYS A 44 16.856 -13.375 -12.469 1.00 11.13 H new ATOM 0 HZ3 LYS A 44 16.738 -14.889 -11.709 1.00 11.13 H new ATOM 767 N TYR A 45 10.752 -14.004 -15.299 1.00 11.03 N ATOM 768 CA TYR A 45 10.887 -14.121 -16.747 1.00 53.11 C ATOM 769 C TYR A 45 9.814 -13.305 -17.462 1.00 52.44 C ATOM 770 O TYR A 45 10.018 -12.840 -18.583 1.00 4.14 O ATOM 771 CB TYR A 45 10.796 -15.587 -17.172 1.00 21.34 C ATOM 772 CG TYR A 45 10.746 -15.782 -18.671 1.00 10.42 C ATOM 773 CD1 TYR A 45 9.539 -15.741 -19.357 1.00 32.42 C ATOM 774 CD2 TYR A 45 11.908 -16.003 -19.401 1.00 61.42 C ATOM 775 CE1 TYR A 45 9.490 -15.920 -20.726 1.00 3.54 C ATOM 776 CE2 TYR A 45 11.868 -16.181 -20.770 1.00 13.31 C ATOM 777 CZ TYR A 45 10.657 -16.138 -21.428 1.00 70.41 C ATOM 778 OH TYR A 45 10.613 -16.314 -22.792 1.00 33.24 O ATOM 0 H TYR A 45 10.632 -14.893 -14.813 1.00 11.03 H new ATOM 0 HA TYR A 45 11.864 -13.728 -17.028 1.00 53.11 H new ATOM 0 HB2 TYR A 45 11.655 -16.126 -16.773 1.00 21.34 H new ATOM 0 HB3 TYR A 45 9.906 -16.031 -16.727 1.00 21.34 H new ATOM 0 HD1 TYR A 45 8.624 -15.566 -18.811 1.00 32.42 H new ATOM 0 HD2 TYR A 45 12.858 -16.036 -18.889 1.00 61.42 H new ATOM 0 HE1 TYR A 45 8.543 -15.889 -21.244 1.00 3.54 H new ATOM 0 HE2 TYR A 45 12.780 -16.353 -21.322 1.00 13.31 H new ATOM 0 HH TYR A 45 11.521 -16.455 -23.133 1.00 33.24 H new ATOM 788 N ARG A 46 8.673 -13.135 -16.803 1.00 12.23 N ATOM 789 CA ARG A 46 7.567 -12.375 -17.374 1.00 14.23 C ATOM 790 C ARG A 46 8.037 -11.003 -17.846 1.00 54.31 C ATOM 791 O ARG A 46 7.657 -10.541 -18.923 1.00 73.34 O ATOM 792 CB ARG A 46 6.445 -12.217 -16.347 1.00 2.34 C ATOM 793 CG ARG A 46 5.060 -12.125 -16.968 1.00 3.24 C ATOM 794 CD ARG A 46 4.415 -13.495 -17.096 1.00 73.53 C ATOM 795 NE ARG A 46 4.742 -14.137 -18.368 1.00 3.41 N ATOM 796 CZ ARG A 46 4.542 -15.427 -18.613 1.00 62.13 C ATOM 797 NH1 ARG A 46 4.020 -16.209 -17.679 1.00 72.31 N ATOM 798 NH2 ARG A 46 4.864 -15.937 -19.795 1.00 53.12 N ATOM 0 H ARG A 46 8.490 -13.513 -15.873 1.00 12.23 H new ATOM 0 HA ARG A 46 7.187 -12.925 -18.235 1.00 14.23 H new ATOM 0 HB2 ARG A 46 6.471 -13.063 -15.660 1.00 2.34 H new ATOM 0 HB3 ARG A 46 6.629 -11.320 -15.755 1.00 2.34 H new ATOM 0 HG2 ARG A 46 4.428 -11.480 -16.357 1.00 3.24 H new ATOM 0 HG3 ARG A 46 5.131 -11.662 -17.952 1.00 3.24 H new ATOM 0 HD2 ARG A 46 4.746 -14.130 -16.274 1.00 73.53 H new ATOM 0 HD3 ARG A 46 3.333 -13.396 -17.007 1.00 73.53 H new ATOM 0 HE ARG A 46 5.146 -13.563 -19.108 1.00 3.41 H new ATOM 0 HH11 ARG A 46 3.771 -15.821 -16.769 1.00 72.31 H new ATOM 0 HH12 ARG A 46 3.867 -17.199 -17.870 1.00 72.31 H new ATOM 0 HH21 ARG A 46 5.266 -15.338 -20.517 1.00 53.12 H new ATOM 0 HH22 ARG A 46 4.710 -16.928 -19.982 1.00 53.12 H new ATOM 812 N ARG A 47 8.865 -10.354 -17.034 1.00 24.01 N ATOM 813 CA ARG A 47 9.385 -9.034 -17.367 1.00 2.54 C ATOM 814 C ARG A 47 10.321 -9.106 -18.569 1.00 41.31 C ATOM 815 O ARG A 47 10.269 -8.260 -19.461 1.00 74.22 O ATOM 816 CB ARG A 47 10.122 -8.435 -16.168 1.00 71.24 C ATOM 817 CG ARG A 47 9.978 -6.926 -16.056 1.00 44.31 C ATOM 818 CD ARG A 47 8.791 -6.543 -15.185 1.00 44.04 C ATOM 819 NE ARG A 47 8.280 -5.214 -15.509 1.00 61.25 N ATOM 820 CZ ARG A 47 7.058 -4.800 -15.195 1.00 25.10 C ATOM 821 NH1 ARG A 47 6.227 -5.607 -14.551 1.00 23.14 N ATOM 822 NH2 ARG A 47 6.666 -3.575 -15.523 1.00 34.13 N ATOM 0 H ARG A 47 9.190 -10.722 -16.140 1.00 24.01 H new ATOM 0 HA ARG A 47 8.541 -8.393 -17.623 1.00 2.54 H new ATOM 0 HB2 ARG A 47 9.747 -8.896 -15.254 1.00 71.24 H new ATOM 0 HB3 ARG A 47 11.180 -8.686 -16.240 1.00 71.24 H new ATOM 0 HG2 ARG A 47 10.890 -6.502 -15.636 1.00 44.31 H new ATOM 0 HG3 ARG A 47 9.855 -6.496 -17.050 1.00 44.31 H new ATOM 0 HD2 ARG A 47 7.996 -7.278 -15.312 1.00 44.04 H new ATOM 0 HD3 ARG A 47 9.087 -6.572 -14.136 1.00 44.04 H new ATOM 0 HE ARG A 47 8.895 -4.568 -16.004 1.00 61.25 H new ATOM 0 HH11 ARG A 47 6.526 -6.548 -14.296 1.00 23.14 H new ATOM 0 HH12 ARG A 47 5.289 -5.287 -14.311 1.00 23.14 H new ATOM 0 HH21 ARG A 47 7.304 -2.951 -16.017 1.00 34.13 H new ATOM 0 HH22 ARG A 47 5.727 -3.258 -15.281 1.00 34.13 H new ATOM 836 N MET A 48 11.177 -10.123 -18.585 1.00 52.55 N ATOM 837 CA MET A 48 12.126 -10.305 -19.678 1.00 71.32 C ATOM 838 C MET A 48 11.397 -10.571 -20.992 1.00 64.31 C ATOM 839 O MET A 48 11.938 -10.335 -22.073 1.00 72.33 O ATOM 840 CB MET A 48 13.079 -11.461 -19.367 1.00 72.54 C ATOM 841 CG MET A 48 14.318 -11.037 -18.596 1.00 4.21 C ATOM 842 SD MET A 48 13.992 -10.792 -16.839 1.00 31.21 S ATOM 843 CE MET A 48 14.056 -9.005 -16.728 1.00 34.11 C ATOM 0 H MET A 48 11.233 -10.833 -17.855 1.00 52.55 H new ATOM 0 HA MET A 48 12.703 -9.386 -19.782 1.00 71.32 H new ATOM 0 HB2 MET A 48 12.544 -12.217 -18.792 1.00 72.54 H new ATOM 0 HB3 MET A 48 13.386 -11.930 -20.302 1.00 72.54 H new ATOM 0 HG2 MET A 48 15.093 -11.794 -18.716 1.00 4.21 H new ATOM 0 HG3 MET A 48 14.708 -10.112 -19.022 1.00 4.21 H new ATOM 0 HE1 MET A 48 13.873 -8.698 -15.698 1.00 34.11 H new ATOM 0 HE2 MET A 48 15.040 -8.656 -17.041 1.00 34.11 H new ATOM 0 HE3 MET A 48 13.294 -8.573 -17.377 1.00 34.11 H new ATOM 853 N LEU A 49 10.167 -11.063 -20.891 1.00 71.24 N ATOM 854 CA LEU A 49 9.363 -11.361 -22.071 1.00 74.34 C ATOM 855 C LEU A 49 9.290 -10.153 -23.000 1.00 24.04 C ATOM 856 O LEU A 49 9.152 -10.297 -24.215 1.00 44.15 O ATOM 857 CB LEU A 49 7.954 -11.788 -21.659 1.00 73.54 C ATOM 858 CG LEU A 49 7.167 -12.597 -22.692 1.00 45.45 C ATOM 859 CD1 LEU A 49 6.132 -13.475 -22.007 1.00 44.12 C ATOM 860 CD2 LEU A 49 6.501 -11.670 -23.699 1.00 43.35 C ATOM 0 H LEU A 49 9.705 -11.264 -20.004 1.00 71.24 H new ATOM 0 HA LEU A 49 9.841 -12.180 -22.608 1.00 74.34 H new ATOM 0 HB2 LEU A 49 8.028 -12.378 -20.745 1.00 73.54 H new ATOM 0 HB3 LEU A 49 7.382 -10.893 -21.416 1.00 73.54 H new ATOM 0 HG LEU A 49 7.863 -13.243 -23.227 1.00 45.45 H new ATOM 0 HD11 LEU A 49 5.582 -14.043 -22.758 1.00 44.12 H new ATOM 0 HD12 LEU A 49 6.632 -14.163 -21.326 1.00 44.12 H new ATOM 0 HD13 LEU A 49 5.438 -12.849 -21.446 1.00 44.12 H new ATOM 0 HD21 LEU A 49 5.946 -12.262 -24.426 1.00 43.35 H new ATOM 0 HD22 LEU A 49 5.817 -10.999 -23.179 1.00 43.35 H new ATOM 0 HD23 LEU A 49 7.263 -11.084 -24.214 1.00 43.35 H new ATOM 872 N LYS A 50 9.384 -8.961 -22.420 1.00 60.22 N ATOM 873 CA LYS A 50 9.331 -7.727 -23.193 1.00 53.30 C ATOM 874 C LYS A 50 10.332 -7.763 -24.345 1.00 25.32 C ATOM 875 O LYS A 50 11.522 -7.999 -24.137 1.00 13.41 O ATOM 876 CB LYS A 50 9.618 -6.524 -22.292 1.00 15.33 C ATOM 877 CG LYS A 50 11.010 -6.537 -21.684 1.00 23.10 C ATOM 878 CD LYS A 50 11.086 -5.659 -20.446 1.00 51.03 C ATOM 879 CE LYS A 50 11.396 -4.214 -20.806 1.00 73.35 C ATOM 880 NZ LYS A 50 10.161 -3.440 -21.107 1.00 43.40 N ATOM 0 H LYS A 50 9.497 -8.824 -21.416 1.00 60.22 H new ATOM 0 HA LYS A 50 8.328 -7.631 -23.609 1.00 53.30 H new ATOM 0 HB2 LYS A 50 9.492 -5.609 -22.871 1.00 15.33 H new ATOM 0 HB3 LYS A 50 8.881 -6.498 -21.490 1.00 15.33 H new ATOM 0 HG2 LYS A 50 11.285 -7.559 -21.424 1.00 23.10 H new ATOM 0 HG3 LYS A 50 11.734 -6.191 -22.422 1.00 23.10 H new ATOM 0 HD2 LYS A 50 10.140 -5.706 -19.907 1.00 51.03 H new ATOM 0 HD3 LYS A 50 11.855 -6.041 -19.774 1.00 51.03 H new ATOM 0 HE2 LYS A 50 11.929 -3.741 -19.981 1.00 73.35 H new ATOM 0 HE3 LYS A 50 12.060 -4.190 -21.670 1.00 73.35 H new ATOM 0 HZ1 LYS A 50 10.284 -2.925 -22.002 1.00 43.40 H new ATOM 0 HZ2 LYS A 50 9.355 -4.091 -21.190 1.00 43.40 H new ATOM 0 HZ3 LYS A 50 9.981 -2.762 -20.339 1.00 43.40 H new ATOM 894 N ARG A 51 9.841 -7.528 -25.557 1.00 21.32 N ATOM 895 CA ARG A 51 10.692 -7.534 -26.740 1.00 52.12 C ATOM 896 C ARG A 51 10.570 -6.219 -27.505 1.00 22.45 C ATOM 897 O ARG A 51 9.711 -5.391 -27.202 1.00 63.30 O ATOM 898 CB ARG A 51 10.324 -8.704 -27.654 1.00 20.15 C ATOM 899 CG ARG A 51 9.039 -8.485 -28.436 1.00 1.54 C ATOM 900 CD ARG A 51 8.300 -9.792 -28.672 1.00 34.10 C ATOM 901 NE ARG A 51 9.166 -10.813 -29.258 1.00 1.41 N ATOM 902 CZ ARG A 51 8.833 -12.095 -29.350 1.00 64.41 C ATOM 903 NH1 ARG A 51 7.659 -12.512 -28.897 1.00 34.42 N ATOM 904 NH2 ARG A 51 9.675 -12.963 -29.895 1.00 32.13 N ATOM 0 H ARG A 51 8.858 -7.331 -25.745 1.00 21.32 H new ATOM 0 HA ARG A 51 11.725 -7.649 -26.412 1.00 52.12 H new ATOM 0 HB2 ARG A 51 11.141 -8.878 -28.355 1.00 20.15 H new ATOM 0 HB3 ARG A 51 10.223 -9.607 -27.052 1.00 20.15 H new ATOM 0 HG2 ARG A 51 8.394 -7.795 -27.892 1.00 1.54 H new ATOM 0 HG3 ARG A 51 9.270 -8.018 -29.394 1.00 1.54 H new ATOM 0 HD2 ARG A 51 7.898 -10.157 -27.727 1.00 34.10 H new ATOM 0 HD3 ARG A 51 7.451 -9.614 -29.332 1.00 34.10 H new ATOM 0 HE ARG A 51 10.077 -10.525 -29.616 1.00 1.41 H new ATOM 0 HH11 ARG A 51 7.009 -11.847 -28.477 1.00 34.42 H new ATOM 0 HH12 ARG A 51 7.405 -13.497 -28.969 1.00 34.42 H new ATOM 0 HH21 ARG A 51 10.579 -12.646 -30.244 1.00 32.13 H new ATOM 0 HH22 ARG A 51 9.418 -13.948 -29.965 1.00 32.13 H new ATOM 918 N ALA A 52 11.436 -6.034 -28.496 1.00 32.24 N ATOM 919 CA ALA A 52 11.423 -4.821 -29.305 1.00 70.13 C ATOM 920 C ALA A 52 10.383 -4.913 -30.416 1.00 1.23 C ATOM 921 O ALA A 52 9.794 -3.906 -30.814 1.00 72.04 O ATOM 922 CB ALA A 52 12.803 -4.564 -29.891 1.00 61.03 C ATOM 0 H ALA A 52 12.155 -6.708 -28.758 1.00 32.24 H new ATOM 0 HA ALA A 52 11.153 -3.986 -28.659 1.00 70.13 H new ATOM 0 HB1 ALA A 52 12.779 -3.655 -30.493 1.00 61.03 H new ATOM 0 HB2 ALA A 52 13.525 -4.445 -29.083 1.00 61.03 H new ATOM 0 HB3 ALA A 52 13.095 -5.407 -30.518 1.00 61.03 H new ATOM 928 N LEU A 53 10.160 -6.124 -30.913 1.00 33.22 N ATOM 929 CA LEU A 53 9.190 -6.347 -31.980 1.00 74.15 C ATOM 930 C LEU A 53 7.771 -6.397 -31.424 1.00 1.51 C ATOM 931 O LEU A 53 7.424 -7.292 -30.654 1.00 53.52 O ATOM 932 CB LEU A 53 9.506 -7.649 -32.719 1.00 52.12 C ATOM 933 CG LEU A 53 9.520 -7.567 -34.246 1.00 72.31 C ATOM 934 CD1 LEU A 53 8.138 -7.214 -34.774 1.00 11.04 C ATOM 935 CD2 LEU A 53 10.549 -6.551 -34.717 1.00 21.03 C ATOM 0 H LEU A 53 10.638 -6.967 -30.595 1.00 33.22 H new ATOM 0 HA LEU A 53 9.258 -5.513 -32.679 1.00 74.15 H new ATOM 0 HB2 LEU A 53 10.480 -8.006 -32.385 1.00 52.12 H new ATOM 0 HB3 LEU A 53 8.773 -8.399 -32.422 1.00 52.12 H new ATOM 0 HG LEU A 53 9.798 -8.544 -34.640 1.00 72.31 H new ATOM 0 HD11 LEU A 53 8.167 -7.160 -35.862 1.00 11.04 H new ATOM 0 HD12 LEU A 53 7.425 -7.979 -34.468 1.00 11.04 H new ATOM 0 HD13 LEU A 53 7.830 -6.249 -34.371 1.00 11.04 H new ATOM 0 HD21 LEU A 53 10.544 -6.507 -35.806 1.00 21.03 H new ATOM 0 HD22 LEU A 53 10.302 -5.569 -34.313 1.00 21.03 H new ATOM 0 HD23 LEU A 53 11.539 -6.848 -34.370 1.00 21.03 H new ATOM 947 N LYS A 54 6.953 -5.428 -31.821 1.00 2.43 N ATOM 948 CA LYS A 54 5.569 -5.361 -31.366 1.00 13.43 C ATOM 949 C LYS A 54 4.617 -5.874 -32.442 1.00 14.53 C ATOM 950 O LYS A 54 4.629 -5.394 -33.575 1.00 64.43 O ATOM 951 CB LYS A 54 5.203 -3.923 -30.991 1.00 10.20 C ATOM 952 CG LYS A 54 5.481 -3.584 -29.536 1.00 72.30 C ATOM 953 CD LYS A 54 6.942 -3.227 -29.317 1.00 4.51 C ATOM 954 CE LYS A 54 7.256 -1.829 -29.829 1.00 73.54 C ATOM 955 NZ LYS A 54 6.909 -0.781 -28.831 1.00 64.35 N ATOM 0 H LYS A 54 7.224 -4.678 -32.457 1.00 2.43 H new ATOM 0 HA LYS A 54 5.471 -5.996 -30.486 1.00 13.43 H new ATOM 0 HB2 LYS A 54 5.761 -3.237 -31.628 1.00 10.20 H new ATOM 0 HB3 LYS A 54 4.145 -3.761 -31.197 1.00 10.20 H new ATOM 0 HG2 LYS A 54 4.851 -2.749 -29.229 1.00 72.30 H new ATOM 0 HG3 LYS A 54 5.214 -4.433 -28.906 1.00 72.30 H new ATOM 0 HD2 LYS A 54 7.177 -3.288 -28.254 1.00 4.51 H new ATOM 0 HD3 LYS A 54 7.576 -3.953 -29.826 1.00 4.51 H new ATOM 0 HE2 LYS A 54 8.316 -1.761 -30.073 1.00 73.54 H new ATOM 0 HE3 LYS A 54 6.705 -1.648 -30.752 1.00 73.54 H new ATOM 0 HZ1 LYS A 54 7.138 0.157 -29.218 1.00 64.35 H new ATOM 0 HZ2 LYS A 54 5.892 -0.828 -28.617 1.00 64.35 H new ATOM 0 HZ3 LYS A 54 7.454 -0.938 -27.959 1.00 64.35 H new ATOM 969 N ASN A 55 3.793 -6.852 -32.079 1.00 13.31 N ATOM 970 CA ASN A 55 2.834 -7.429 -33.013 1.00 33.44 C ATOM 971 C ASN A 55 1.946 -6.346 -33.622 1.00 63.34 C ATOM 972 O ASN A 55 1.681 -5.321 -32.994 1.00 50.12 O ATOM 973 CB ASN A 55 1.970 -8.476 -32.308 1.00 44.20 C ATOM 974 CG ASN A 55 1.458 -9.541 -33.260 1.00 41.22 C ATOM 975 OD1 ASN A 55 0.428 -9.366 -33.909 1.00 2.25 O ATOM 976 ND2 ASN A 55 2.180 -10.652 -33.346 1.00 60.13 N ATOM 0 H ASN A 55 3.771 -7.261 -31.145 1.00 13.31 H new ATOM 0 HA ASN A 55 3.392 -7.910 -33.816 1.00 33.44 H new ATOM 0 HB2 ASN A 55 2.551 -8.949 -31.517 1.00 44.20 H new ATOM 0 HB3 ASN A 55 1.124 -7.983 -31.830 1.00 44.20 H new ATOM 0 HD21 ASN A 55 1.887 -11.404 -33.970 1.00 60.13 H new ATOM 0 HD22 ASN A 55 3.028 -10.754 -32.788 1.00 60.13 H new ATOM 983 N LYS A 56 1.489 -6.583 -34.847 1.00 42.22 N ATOM 984 CA LYS A 56 0.631 -5.630 -35.540 1.00 23.11 C ATOM 985 C LYS A 56 -0.654 -5.385 -34.755 1.00 22.24 C ATOM 986 O LYS A 56 -1.034 -6.186 -33.902 1.00 54.21 O ATOM 987 CB LYS A 56 0.294 -6.142 -36.942 1.00 71.31 C ATOM 988 CG LYS A 56 0.993 -5.377 -38.052 1.00 15.12 C ATOM 989 CD LYS A 56 0.818 -6.063 -39.398 1.00 4.14 C ATOM 990 CE LYS A 56 1.520 -7.410 -39.432 1.00 73.35 C ATOM 991 NZ LYS A 56 1.699 -7.908 -40.824 1.00 43.42 N ATOM 0 H LYS A 56 1.699 -7.427 -35.380 1.00 42.22 H new ATOM 0 HA LYS A 56 1.171 -4.687 -35.624 1.00 23.11 H new ATOM 0 HB2 LYS A 56 0.566 -7.195 -37.010 1.00 71.31 H new ATOM 0 HB3 LYS A 56 -0.784 -6.081 -37.093 1.00 71.31 H new ATOM 0 HG2 LYS A 56 0.594 -4.364 -38.104 1.00 15.12 H new ATOM 0 HG3 LYS A 56 2.055 -5.290 -37.822 1.00 15.12 H new ATOM 0 HD2 LYS A 56 -0.244 -6.200 -39.603 1.00 4.14 H new ATOM 0 HD3 LYS A 56 1.215 -5.425 -40.187 1.00 4.14 H new ATOM 0 HE2 LYS A 56 2.493 -7.324 -38.949 1.00 73.35 H new ATOM 0 HE3 LYS A 56 0.942 -8.135 -38.859 1.00 73.35 H new ATOM 0 HZ1 LYS A 56 2.182 -8.829 -40.804 1.00 43.42 H new ATOM 0 HZ2 LYS A 56 0.769 -8.014 -41.277 1.00 43.42 H new ATOM 0 HZ3 LYS A 56 2.272 -7.229 -41.365 1.00 43.42 H new ATOM 1005 N ASN A 57 -1.320 -4.273 -35.050 1.00 64.24 N ATOM 1006 CA ASN A 57 -2.563 -3.923 -34.372 1.00 31.31 C ATOM 1007 C ASN A 57 -3.770 -4.259 -35.242 1.00 51.43 C ATOM 1008 O ASN A 57 -3.927 -3.724 -36.339 1.00 3.35 O ATOM 1009 CB ASN A 57 -2.574 -2.434 -34.018 1.00 75.23 C ATOM 1010 CG ASN A 57 -2.174 -1.559 -35.189 1.00 55.42 C ATOM 1011 OD1 ASN A 57 -3.025 -1.053 -35.920 1.00 35.13 O ATOM 1012 ND2 ASN A 57 -0.870 -1.376 -35.373 1.00 33.54 N ATOM 0 H ASN A 57 -1.020 -3.599 -35.754 1.00 64.24 H new ATOM 0 HA ASN A 57 -2.624 -4.508 -33.454 1.00 31.31 H new ATOM 0 HB2 ASN A 57 -3.571 -2.151 -33.680 1.00 75.23 H new ATOM 0 HB3 ASN A 57 -1.893 -2.256 -33.186 1.00 75.23 H new ATOM 0 HD21 ASN A 57 -0.540 -0.797 -36.145 1.00 33.54 H new ATOM 0 HD22 ASN A 57 -0.199 -1.815 -34.742 1.00 33.54 H new ATOM 1019 N LYS A 58 -4.621 -5.150 -34.745 1.00 62.33 N ATOM 1020 CA LYS A 58 -5.816 -5.557 -35.475 1.00 24.10 C ATOM 1021 C LYS A 58 -6.953 -5.890 -34.514 1.00 62.52 C ATOM 1022 O LYS A 58 -6.792 -6.703 -33.603 1.00 15.21 O ATOM 1023 CB LYS A 58 -5.511 -6.768 -36.360 1.00 44.24 C ATOM 1024 CG LYS A 58 -6.569 -7.032 -37.416 1.00 53.51 C ATOM 1025 CD LYS A 58 -6.279 -6.268 -38.698 1.00 25.15 C ATOM 1026 CE LYS A 58 -7.465 -6.310 -39.651 1.00 51.25 C ATOM 1027 NZ LYS A 58 -7.403 -7.487 -40.561 1.00 70.21 N ATOM 0 H LYS A 58 -4.505 -5.604 -33.839 1.00 62.33 H new ATOM 0 HA LYS A 58 -6.128 -4.724 -36.105 1.00 24.10 H new ATOM 0 HB2 LYS A 58 -4.550 -6.616 -36.851 1.00 44.24 H new ATOM 0 HB3 LYS A 58 -5.410 -7.652 -35.730 1.00 44.24 H new ATOM 0 HG2 LYS A 58 -6.613 -8.100 -37.630 1.00 53.51 H new ATOM 0 HG3 LYS A 58 -7.548 -6.743 -37.032 1.00 53.51 H new ATOM 0 HD2 LYS A 58 -6.039 -5.232 -38.459 1.00 25.15 H new ATOM 0 HD3 LYS A 58 -5.403 -6.694 -39.187 1.00 25.15 H new ATOM 0 HE2 LYS A 58 -8.391 -6.343 -39.077 1.00 51.25 H new ATOM 0 HE3 LYS A 58 -7.489 -5.395 -40.242 1.00 51.25 H new ATOM 0 HZ1 LYS A 58 -8.228 -7.480 -41.194 1.00 70.21 H new ATOM 0 HZ2 LYS A 58 -6.532 -7.443 -41.127 1.00 70.21 H new ATOM 0 HZ3 LYS A 58 -7.406 -8.362 -39.998 1.00 70.21 H new ATOM 1041 N ALA A 59 -8.103 -5.259 -34.723 1.00 12.25 N ATOM 1042 CA ALA A 59 -9.268 -5.490 -33.879 1.00 64.31 C ATOM 1043 C ALA A 59 -10.027 -6.737 -34.319 1.00 71.45 C ATOM 1044 O ALA A 59 -10.203 -6.978 -35.513 1.00 43.15 O ATOM 1045 CB ALA A 59 -10.185 -4.277 -33.900 1.00 63.31 C ATOM 0 H ALA A 59 -8.253 -4.582 -35.471 1.00 12.25 H new ATOM 0 HA ALA A 59 -8.919 -5.650 -32.859 1.00 64.31 H new ATOM 0 HB1 ALA A 59 -11.051 -4.464 -33.265 1.00 63.31 H new ATOM 0 HB2 ALA A 59 -9.645 -3.406 -33.529 1.00 63.31 H new ATOM 0 HB3 ALA A 59 -10.518 -4.090 -34.921 1.00 63.31 H new ATOM 1051 N GLU A 60 -10.472 -7.528 -33.348 1.00 42.03 N ATOM 1052 CA GLU A 60 -11.211 -8.751 -33.637 1.00 73.35 C ATOM 1053 C GLU A 60 -12.652 -8.645 -33.151 1.00 31.34 C ATOM 1054 O GLU A 60 -12.909 -8.222 -32.024 1.00 72.01 O ATOM 1055 CB GLU A 60 -10.527 -9.953 -32.981 1.00 32.20 C ATOM 1056 CG GLU A 60 -9.410 -10.551 -33.820 1.00 54.23 C ATOM 1057 CD GLU A 60 -8.076 -9.869 -33.587 1.00 45.30 C ATOM 1058 OE1 GLU A 60 -7.461 -10.114 -32.528 1.00 0.31 O ATOM 1059 OE2 GLU A 60 -7.647 -9.090 -34.463 1.00 23.22 O ATOM 0 H GLU A 60 -10.334 -7.344 -32.354 1.00 42.03 H new ATOM 0 HA GLU A 60 -11.221 -8.892 -34.718 1.00 73.35 H new ATOM 0 HB2 GLU A 60 -10.122 -9.648 -32.016 1.00 32.20 H new ATOM 0 HB3 GLU A 60 -11.274 -10.722 -32.784 1.00 32.20 H new ATOM 0 HG2 GLU A 60 -9.316 -11.612 -33.590 1.00 54.23 H new ATOM 0 HG3 GLU A 60 -9.673 -10.476 -34.875 1.00 54.23 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.190 13.011 -4.662 1.00 24.13 ZN