USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.119) USER MOD Set 1.2: A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 HIS : no HD1:sc= -0.0631 X(o=-0.063,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 -158:sc= -0.023 (180deg=-0.504) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -1.42 (180deg=-2.47) USER MOD Single : A -1 SER OG : rot 180:sc= -0.0584 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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+ -161:sc= -0.0348 (180deg=-0.384) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.136 (180deg=-0.642) USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.24 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= 0.0725 (180deg=0.0512) USER MOD Single : A 35 LYS NZ :NH3+ -130:sc= -0.121 (180deg=-2.38!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 167:sc=-0.00278 (180deg=-0.114) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 146:sc= -0.214 (180deg=-0.651) 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= -0.534 X(o=-0.53,f=-0.21) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= -0.0446 (180deg=-0.335) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 20.070 -2.037 -8.312 1.00 42.22 N ATOM 2 CA GLY A -2 21.240 -2.718 -7.787 1.00 53.53 C ATOM 3 C GLY A -2 20.895 -3.687 -6.674 1.00 5.34 C ATOM 4 O GLY A -2 20.090 -4.599 -6.862 1.00 61.40 O ATOM 0 H1 GLY A -2 20.358 -1.386 -9.070 1.00 42.22 H new ATOM 0 H2 GLY A -2 19.402 -2.738 -8.693 1.00 42.22 H new ATOM 0 H3 GLY A -2 19.610 -1.499 -7.550 1.00 42.22 H new ATOM 0 HA2 GLY A -2 21.735 -3.258 -8.594 1.00 53.53 H new ATOM 0 HA3 GLY A -2 21.950 -1.980 -7.415 1.00 53.53 H new ATOM 8 N SER A -1 21.506 -3.490 -5.509 1.00 45.14 N ATOM 9 CA SER A -1 21.263 -4.357 -4.362 1.00 44.43 C ATOM 10 C SER A -1 20.882 -3.537 -3.134 1.00 24.31 C ATOM 11 O SER A -1 21.199 -2.351 -3.041 1.00 0.30 O ATOM 12 CB SER A -1 22.505 -5.200 -4.062 1.00 53.41 C ATOM 13 OG SER A -1 22.340 -5.940 -2.866 1.00 24.13 O ATOM 0 H SER A -1 22.173 -2.738 -5.335 1.00 45.14 H new ATOM 0 HA SER A -1 20.433 -5.020 -4.607 1.00 44.43 H new ATOM 0 HB2 SER A -1 22.696 -5.881 -4.892 1.00 53.41 H new ATOM 0 HB3 SER A -1 23.377 -4.551 -3.975 1.00 53.41 H new ATOM 0 HG SER A -1 23.146 -6.472 -2.697 1.00 24.13 H new ATOM 19 N HIS A 0 20.201 -4.179 -2.190 1.00 13.43 N ATOM 20 CA HIS A 0 19.776 -3.510 -0.965 1.00 74.23 C ATOM 21 C HIS A 0 20.323 -4.230 0.263 1.00 25.14 C ATOM 22 O HIS A 0 20.103 -5.427 0.443 1.00 21.35 O ATOM 23 CB HIS A 0 18.249 -3.448 -0.896 1.00 64.50 C ATOM 24 CG HIS A 0 17.623 -2.774 -2.077 1.00 43.11 C ATOM 25 ND1 HIS A 0 17.113 -1.493 -2.029 1.00 51.44 N ATOM 26 CD2 HIS A 0 17.428 -3.207 -3.344 1.00 73.43 C ATOM 27 CE1 HIS A 0 16.630 -1.170 -3.216 1.00 33.12 C ATOM 28 NE2 HIS A 0 16.808 -2.193 -4.032 1.00 0.12 N ATOM 0 H HIS A 0 19.932 -5.161 -2.250 1.00 13.43 H new ATOM 0 HA HIS A 0 20.173 -2.495 -0.977 1.00 74.23 H new ATOM 0 HB2 HIS A 0 17.856 -4.461 -0.816 1.00 64.50 H new ATOM 0 HB3 HIS A 0 17.956 -2.920 0.011 1.00 64.50 H new ATOM 0 HD2 HIS A 0 17.708 -4.172 -3.741 1.00 73.43 H new ATOM 0 HE1 HIS A 0 16.168 -0.229 -3.475 1.00 33.12 H new ATOM 0 HE2 HIS A 0 16.530 -2.225 -5.013 1.00 0.12 H new ATOM 36 N MET A 1 21.039 -3.491 1.106 1.00 12.54 N ATOM 37 CA MET A 1 21.618 -4.059 2.318 1.00 11.43 C ATOM 38 C MET A 1 20.556 -4.231 3.398 1.00 13.13 C ATOM 39 O MET A 1 20.626 -5.153 4.211 1.00 72.12 O ATOM 40 CB MET A 1 22.749 -3.167 2.835 1.00 52.52 C ATOM 41 CG MET A 1 24.111 -3.517 2.259 1.00 3.41 C ATOM 42 SD MET A 1 25.431 -2.485 2.922 1.00 3.02 S ATOM 43 CE MET A 1 26.115 -1.798 1.415 1.00 32.30 C ATOM 0 H MET A 1 21.232 -2.498 0.972 1.00 12.54 H new ATOM 0 HA MET A 1 22.023 -5.041 2.072 1.00 11.43 H new ATOM 0 HB2 MET A 1 22.519 -2.128 2.597 1.00 52.52 H new ATOM 0 HB3 MET A 1 22.793 -3.243 3.921 1.00 52.52 H new ATOM 0 HG2 MET A 1 24.332 -4.563 2.470 1.00 3.41 H new ATOM 0 HG3 MET A 1 24.081 -3.410 1.175 1.00 3.41 H new ATOM 0 HE1 MET A 1 26.945 -1.135 1.661 1.00 32.30 H new ATOM 0 HE2 MET A 1 26.473 -2.606 0.777 1.00 32.30 H new ATOM 0 HE3 MET A 1 25.344 -1.234 0.889 1.00 32.30 H new ATOM 53 N VAL A 2 19.571 -3.338 3.403 1.00 42.52 N ATOM 54 CA VAL A 2 18.494 -3.391 4.383 1.00 20.01 C ATOM 55 C VAL A 2 17.131 -3.296 3.708 1.00 35.01 C ATOM 56 O VAL A 2 16.947 -2.529 2.763 1.00 22.12 O ATOM 57 CB VAL A 2 18.621 -2.259 5.420 1.00 12.02 C ATOM 58 CG1 VAL A 2 19.757 -2.547 6.388 1.00 2.02 C ATOM 59 CG2 VAL A 2 18.827 -0.921 4.725 1.00 60.43 C ATOM 0 H VAL A 2 19.497 -2.568 2.738 1.00 42.52 H new ATOM 0 HA VAL A 2 18.578 -4.351 4.892 1.00 20.01 H new ATOM 0 HB VAL A 2 17.694 -2.207 5.991 1.00 12.02 H new ATOM 0 HG11 VAL A 2 19.831 -1.737 7.113 1.00 2.02 H new ATOM 0 HG12 VAL A 2 19.562 -3.484 6.910 1.00 2.02 H new ATOM 0 HG13 VAL A 2 20.694 -2.627 5.836 1.00 2.02 H new ATOM 0 HG21 VAL A 2 18.915 -0.132 5.472 1.00 60.43 H new ATOM 0 HG22 VAL A 2 19.738 -0.958 4.128 1.00 60.43 H new ATOM 0 HG23 VAL A 2 17.976 -0.713 4.076 1.00 60.43 H new ATOM 69 N GLU A 3 16.177 -4.081 4.199 1.00 34.13 N ATOM 70 CA GLU A 3 14.829 -4.085 3.641 1.00 12.31 C ATOM 71 C GLU A 3 13.815 -3.587 4.667 1.00 53.10 C ATOM 72 O GLU A 3 13.924 -3.880 5.856 1.00 33.24 O ATOM 73 CB GLU A 3 14.451 -5.492 3.176 1.00 55.54 C ATOM 74 CG GLU A 3 15.013 -5.853 1.810 1.00 23.43 C ATOM 75 CD GLU A 3 14.225 -5.237 0.672 1.00 21.31 C ATOM 76 OE1 GLU A 3 13.063 -4.841 0.900 1.00 11.44 O ATOM 77 OE2 GLU A 3 14.771 -5.152 -0.449 1.00 1.25 O ATOM 0 H GLU A 3 16.312 -4.722 4.981 1.00 34.13 H new ATOM 0 HA GLU A 3 14.815 -3.411 2.785 1.00 12.31 H new ATOM 0 HB2 GLU A 3 14.807 -6.216 3.909 1.00 55.54 H new ATOM 0 HB3 GLU A 3 13.365 -5.576 3.147 1.00 55.54 H new ATOM 0 HG2 GLU A 3 16.050 -5.522 1.749 1.00 23.43 H new ATOM 0 HG3 GLU A 3 15.017 -6.937 1.698 1.00 23.43 H new ATOM 84 N MET A 4 12.829 -2.831 4.195 1.00 11.45 N ATOM 85 CA MET A 4 11.794 -2.291 5.070 1.00 22.32 C ATOM 86 C MET A 4 10.490 -2.085 4.307 1.00 2.21 C ATOM 87 O MET A 4 10.424 -1.279 3.378 1.00 65.13 O ATOM 88 CB MET A 4 12.254 -0.969 5.685 1.00 2.33 C ATOM 89 CG MET A 4 11.532 -0.613 6.974 1.00 11.35 C ATOM 90 SD MET A 4 12.138 -1.549 8.392 1.00 50.32 S ATOM 91 CE MET A 4 11.820 -0.394 9.722 1.00 43.33 C ATOM 0 H MET A 4 12.725 -2.578 3.212 1.00 11.45 H new ATOM 0 HA MET A 4 11.617 -3.011 5.869 1.00 22.32 H new ATOM 0 HB2 MET A 4 13.325 -1.023 5.881 1.00 2.33 H new ATOM 0 HB3 MET A 4 12.102 -0.169 4.961 1.00 2.33 H new ATOM 0 HG2 MET A 4 11.651 0.453 7.170 1.00 11.35 H new ATOM 0 HG3 MET A 4 10.465 -0.798 6.851 1.00 11.35 H new ATOM 0 HE1 MET A 4 12.142 -0.830 10.668 1.00 43.33 H new ATOM 0 HE2 MET A 4 12.371 0.529 9.542 1.00 43.33 H new ATOM 0 HE3 MET A 4 10.753 -0.177 9.768 1.00 43.33 H new ATOM 101 N ARG A 5 9.454 -2.816 4.705 1.00 12.14 N ATOM 102 CA ARG A 5 8.152 -2.713 4.057 1.00 31.41 C ATOM 103 C ARG A 5 7.642 -1.276 4.087 1.00 41.04 C ATOM 104 O ARG A 5 7.642 -0.628 5.134 1.00 41.24 O ATOM 105 CB ARG A 5 7.144 -3.638 4.741 1.00 2.55 C ATOM 106 CG ARG A 5 6.971 -3.359 6.226 1.00 42.31 C ATOM 107 CD ARG A 5 5.806 -2.414 6.483 1.00 44.20 C ATOM 108 NE ARG A 5 4.723 -3.067 7.213 1.00 60.15 N ATOM 109 CZ ARG A 5 3.496 -2.569 7.305 1.00 34.04 C ATOM 110 NH1 ARG A 5 3.196 -1.419 6.718 1.00 24.54 N ATOM 111 NH2 ARG A 5 2.563 -3.223 7.987 1.00 44.50 N ATOM 0 H ARG A 5 9.491 -3.486 5.473 1.00 12.14 H new ATOM 0 HA ARG A 5 8.267 -3.018 3.017 1.00 31.41 H new ATOM 0 HB2 ARG A 5 6.178 -3.538 4.246 1.00 2.55 H new ATOM 0 HB3 ARG A 5 7.464 -4.671 4.609 1.00 2.55 H new ATOM 0 HG2 ARG A 5 6.805 -4.296 6.757 1.00 42.31 H new ATOM 0 HG3 ARG A 5 7.888 -2.925 6.625 1.00 42.31 H new ATOM 0 HD2 ARG A 5 6.157 -1.552 7.050 1.00 44.20 H new ATOM 0 HD3 ARG A 5 5.428 -2.038 5.532 1.00 44.20 H new ATOM 0 HE ARG A 5 4.920 -3.954 7.677 1.00 60.15 H new ATOM 0 HH11 ARG A 5 3.909 -0.913 6.193 1.00 24.54 H new ATOM 0 HH12 ARG A 5 2.252 -1.040 6.791 1.00 24.54 H new ATOM 0 HH21 ARG A 5 2.789 -4.108 8.440 1.00 44.50 H new ATOM 0 HH22 ARG A 5 1.620 -2.840 8.058 1.00 44.50 H new ATOM 125 N MET A 6 7.209 -0.783 2.931 1.00 21.23 N ATOM 126 CA MET A 6 6.695 0.578 2.825 1.00 43.11 C ATOM 127 C MET A 6 6.139 0.842 1.430 1.00 23.11 C ATOM 128 O MET A 6 6.142 -0.041 0.571 1.00 3.40 O ATOM 129 CB MET A 6 7.798 1.588 3.146 1.00 4.11 C ATOM 130 CG MET A 6 8.816 1.753 2.030 1.00 62.24 C ATOM 131 SD MET A 6 10.496 1.975 2.647 1.00 73.25 S ATOM 132 CE MET A 6 10.242 3.266 3.862 1.00 12.33 C ATOM 0 H MET A 6 7.204 -1.305 2.055 1.00 21.23 H new ATOM 0 HA MET A 6 5.886 0.692 3.547 1.00 43.11 H new ATOM 0 HB2 MET A 6 7.343 2.556 3.357 1.00 4.11 H new ATOM 0 HB3 MET A 6 8.314 1.274 4.053 1.00 4.11 H new ATOM 0 HG2 MET A 6 8.784 0.877 1.382 1.00 62.24 H new ATOM 0 HG3 MET A 6 8.542 2.612 1.418 1.00 62.24 H new ATOM 0 HE1 MET A 6 11.184 3.783 4.046 1.00 12.33 H new ATOM 0 HE2 MET A 6 9.505 3.977 3.489 1.00 12.33 H new ATOM 0 HE3 MET A 6 9.882 2.825 4.792 1.00 12.33 H new ATOM 142 N LYS A 7 5.660 2.061 1.209 1.00 4.34 N ATOM 143 CA LYS A 7 5.101 2.443 -0.082 1.00 4.24 C ATOM 144 C LYS A 7 5.853 3.631 -0.671 1.00 64.21 C ATOM 145 O LYS A 7 6.698 4.235 -0.009 1.00 54.25 O ATOM 146 CB LYS A 7 3.617 2.788 0.065 1.00 55.23 C ATOM 147 CG LYS A 7 3.293 3.556 1.334 1.00 33.32 C ATOM 148 CD LYS A 7 2.875 2.623 2.458 1.00 62.42 C ATOM 149 CE LYS A 7 1.552 1.937 2.152 1.00 43.04 C ATOM 150 NZ LYS A 7 0.896 1.422 3.385 1.00 3.55 N ATOM 0 H LYS A 7 5.648 2.803 1.909 1.00 4.34 H new ATOM 0 HA LYS A 7 5.207 1.596 -0.760 1.00 4.24 H new ATOM 0 HB2 LYS A 7 3.303 3.377 -0.796 1.00 55.23 H new ATOM 0 HB3 LYS A 7 3.035 1.866 0.050 1.00 55.23 H new ATOM 0 HG2 LYS A 7 4.164 4.133 1.644 1.00 33.32 H new ATOM 0 HG3 LYS A 7 2.493 4.269 1.135 1.00 33.32 H new ATOM 0 HD2 LYS A 7 3.648 1.871 2.614 1.00 62.42 H new ATOM 0 HD3 LYS A 7 2.787 3.187 3.387 1.00 62.42 H new ATOM 0 HE2 LYS A 7 0.885 2.640 1.653 1.00 43.04 H new ATOM 0 HE3 LYS A 7 1.722 1.112 1.460 1.00 43.04 H new ATOM 0 HZ1 LYS A 7 -0.114 1.258 3.198 1.00 3.55 H new ATOM 0 HZ2 LYS A 7 1.345 0.528 3.669 1.00 3.55 H new ATOM 0 HZ3 LYS A 7 0.998 2.119 4.150 1.00 3.55 H new ATOM 164 N LYS A 8 5.542 3.963 -1.919 1.00 73.33 N ATOM 165 CA LYS A 8 6.188 5.081 -2.598 1.00 55.34 C ATOM 166 C LYS A 8 5.178 5.873 -3.423 1.00 15.13 C ATOM 167 O LYS A 8 4.215 5.311 -3.949 1.00 0.24 O ATOM 168 CB LYS A 8 7.313 4.574 -3.502 1.00 42.13 C ATOM 169 CG LYS A 8 8.100 5.686 -4.175 1.00 73.32 C ATOM 170 CD LYS A 8 9.058 5.138 -5.220 1.00 35.45 C ATOM 171 CE LYS A 8 8.328 4.758 -6.500 1.00 60.11 C ATOM 172 NZ LYS A 8 8.983 3.614 -7.193 1.00 34.15 N ATOM 0 H LYS A 8 4.846 3.474 -2.482 1.00 73.33 H new ATOM 0 HA LYS A 8 6.609 5.740 -1.839 1.00 55.34 H new ATOM 0 HB2 LYS A 8 7.996 3.963 -2.911 1.00 42.13 H new ATOM 0 HB3 LYS A 8 6.888 3.926 -4.268 1.00 42.13 H new ATOM 0 HG2 LYS A 8 7.411 6.388 -4.644 1.00 73.32 H new ATOM 0 HG3 LYS A 8 8.660 6.243 -3.424 1.00 73.32 H new ATOM 0 HD2 LYS A 8 9.821 5.884 -5.443 1.00 35.45 H new ATOM 0 HD3 LYS A 8 9.573 4.264 -4.821 1.00 35.45 H new ATOM 0 HE2 LYS A 8 7.296 4.498 -6.266 1.00 60.11 H new ATOM 0 HE3 LYS A 8 8.296 5.618 -7.169 1.00 60.11 H new ATOM 0 HZ1 LYS A 8 8.369 3.276 -7.962 1.00 34.15 H new ATOM 0 HZ2 LYS A 8 9.894 3.923 -7.588 1.00 34.15 H new ATOM 0 HZ3 LYS A 8 9.144 2.843 -6.514 1.00 34.15 H new ATOM 186 N CYS A 9 5.403 7.177 -3.533 1.00 43.14 N ATOM 187 CA CYS A 9 4.513 8.046 -4.295 1.00 32.41 C ATOM 188 C CYS A 9 4.662 7.798 -5.793 1.00 5.02 C ATOM 189 O CYS A 9 5.725 8.007 -6.379 1.00 33.55 O ATOM 190 CB CYS A 9 4.802 9.513 -3.977 1.00 32.02 C ATOM 191 SG CYS A 9 3.647 10.675 -4.738 1.00 15.51 S ATOM 0 H CYS A 9 6.195 7.656 -3.104 1.00 43.14 H new ATOM 0 HA CYS A 9 3.487 7.816 -4.007 1.00 32.41 H new ATOM 0 HB2 CYS A 9 4.779 9.650 -2.896 1.00 32.02 H new ATOM 0 HB3 CYS A 9 5.813 9.753 -4.308 1.00 32.02 H new ATOM 196 N PRO A 10 3.573 7.342 -6.429 1.00 12.42 N ATOM 197 CA PRO A 10 3.558 7.055 -7.866 1.00 14.41 C ATOM 198 C PRO A 10 3.641 8.322 -8.712 1.00 4.04 C ATOM 199 O PRO A 10 3.740 8.258 -9.937 1.00 44.13 O ATOM 200 CB PRO A 10 2.210 6.361 -8.076 1.00 33.34 C ATOM 201 CG PRO A 10 1.352 6.857 -6.963 1.00 55.23 C ATOM 202 CD PRO A 10 2.272 7.072 -5.794 1.00 73.43 C ATOM 0 HA PRO A 10 4.415 6.453 -8.169 1.00 14.41 H new ATOM 0 HB2 PRO A 10 1.783 6.611 -9.047 1.00 33.34 H new ATOM 0 HB3 PRO A 10 2.314 5.276 -8.043 1.00 33.34 H new ATOM 0 HG2 PRO A 10 0.851 7.784 -7.240 1.00 55.23 H new ATOM 0 HG3 PRO A 10 0.573 6.134 -6.719 1.00 55.23 H new ATOM 0 HD2 PRO A 10 1.946 7.908 -5.175 1.00 73.43 H new ATOM 0 HD3 PRO A 10 2.314 6.194 -5.149 1.00 73.43 H new ATOM 210 N LYS A 11 3.601 9.473 -8.049 1.00 35.10 N ATOM 211 CA LYS A 11 3.673 10.755 -8.738 1.00 1.52 C ATOM 212 C LYS A 11 5.097 11.302 -8.723 1.00 41.24 C ATOM 213 O LYS A 11 5.589 11.804 -9.734 1.00 40.33 O ATOM 214 CB LYS A 11 2.723 11.762 -8.085 1.00 3.41 C ATOM 215 CG LYS A 11 1.489 12.063 -8.918 1.00 32.23 C ATOM 216 CD LYS A 11 0.696 10.801 -9.216 1.00 63.41 C ATOM 217 CE LYS A 11 -0.703 11.126 -9.715 1.00 63.31 C ATOM 218 NZ LYS A 11 -1.704 10.123 -9.254 1.00 42.34 N ATOM 0 H LYS A 11 3.519 9.544 -7.035 1.00 35.10 H new ATOM 0 HA LYS A 11 3.373 10.599 -9.774 1.00 1.52 H new ATOM 0 HB2 LYS A 11 2.411 11.377 -7.114 1.00 3.41 H new ATOM 0 HB3 LYS A 11 3.262 12.691 -7.901 1.00 3.41 H new ATOM 0 HG2 LYS A 11 0.856 12.775 -8.388 1.00 32.23 H new ATOM 0 HG3 LYS A 11 1.787 12.536 -9.854 1.00 32.23 H new ATOM 0 HD2 LYS A 11 1.222 10.208 -9.965 1.00 63.41 H new ATOM 0 HD3 LYS A 11 0.629 10.191 -8.315 1.00 63.41 H new ATOM 0 HE2 LYS A 11 -0.993 12.116 -9.364 1.00 63.31 H new ATOM 0 HE3 LYS A 11 -0.701 11.162 -10.804 1.00 63.31 H new ATOM 0 HZ1 LYS A 11 -2.645 10.380 -9.615 1.00 42.34 H new ATOM 0 HZ2 LYS A 11 -1.442 9.182 -9.610 1.00 42.34 H new ATOM 0 HZ3 LYS A 11 -1.725 10.106 -8.214 1.00 42.34 H new ATOM 232 N CYS A 12 5.753 11.198 -7.573 1.00 41.33 N ATOM 233 CA CYS A 12 7.122 11.681 -7.429 1.00 22.04 C ATOM 234 C CYS A 12 8.102 10.517 -7.325 1.00 32.55 C ATOM 235 O CYS A 12 9.035 10.403 -8.119 1.00 1.42 O ATOM 236 CB CYS A 12 7.241 12.575 -6.193 1.00 60.45 C ATOM 237 SG CYS A 12 5.897 13.771 -6.015 1.00 53.24 S ATOM 0 H CYS A 12 5.360 10.784 -6.728 1.00 41.33 H new ATOM 0 HA CYS A 12 7.371 12.263 -8.316 1.00 22.04 H new ATOM 0 HB2 CYS A 12 7.273 11.945 -5.304 1.00 60.45 H new ATOM 0 HB3 CYS A 12 8.188 13.113 -6.237 1.00 60.45 H new ATOM 242 N GLY A 13 7.883 9.652 -6.338 1.00 33.31 N ATOM 243 CA GLY A 13 8.756 8.508 -6.147 1.00 11.42 C ATOM 244 C GLY A 13 9.406 8.497 -4.778 1.00 13.31 C ATOM 245 O GLY A 13 10.474 7.911 -4.594 1.00 15.52 O ATOM 0 H GLY A 13 7.117 9.723 -5.668 1.00 33.31 H new ATOM 0 HA2 GLY A 13 8.182 7.591 -6.281 1.00 11.42 H new ATOM 0 HA3 GLY A 13 9.531 8.514 -6.914 1.00 11.42 H new ATOM 249 N LEU A 14 8.764 9.148 -3.814 1.00 15.41 N ATOM 250 CA LEU A 14 9.286 9.212 -2.454 1.00 63.21 C ATOM 251 C LEU A 14 8.736 8.072 -1.604 1.00 60.45 C ATOM 252 O LEU A 14 7.533 7.811 -1.600 1.00 3.04 O ATOM 253 CB LEU A 14 8.933 10.556 -1.814 1.00 64.13 C ATOM 254 CG LEU A 14 8.870 10.576 -0.286 1.00 73.24 C ATOM 255 CD1 LEU A 14 10.229 10.240 0.309 1.00 54.44 C ATOM 256 CD2 LEU A 14 8.388 11.931 0.210 1.00 34.22 C ATOM 0 H LEU A 14 7.880 9.639 -3.950 1.00 15.41 H new ATOM 0 HA LEU A 14 10.370 9.113 -2.503 1.00 63.21 H new ATOM 0 HB2 LEU A 14 9.668 11.294 -2.137 1.00 64.13 H new ATOM 0 HB3 LEU A 14 7.966 10.878 -2.202 1.00 64.13 H new ATOM 0 HG LEU A 14 8.157 9.818 0.039 1.00 73.24 H new ATOM 0 HD11 LEU A 14 10.165 10.259 1.397 1.00 54.44 H new ATOM 0 HD12 LEU A 14 10.534 9.246 -0.019 1.00 54.44 H new ATOM 0 HD13 LEU A 14 10.963 10.973 -0.024 1.00 54.44 H new ATOM 0 HD21 LEU A 14 8.349 11.927 1.299 1.00 34.22 H new ATOM 0 HD22 LEU A 14 9.076 12.707 -0.126 1.00 34.22 H new ATOM 0 HD23 LEU A 14 7.393 12.131 -0.188 1.00 34.22 H new ATOM 268 N TYR A 15 9.626 7.395 -0.885 1.00 54.30 N ATOM 269 CA TYR A 15 9.230 6.281 -0.031 1.00 53.32 C ATOM 270 C TYR A 15 8.757 6.781 1.331 1.00 72.33 C ATOM 271 O TYR A 15 9.241 7.793 1.837 1.00 31.14 O ATOM 272 CB TYR A 15 10.396 5.307 0.146 1.00 53.22 C ATOM 273 CG TYR A 15 10.638 4.428 -1.059 1.00 61.54 C ATOM 274 CD1 TYR A 15 11.381 4.886 -2.140 1.00 71.34 C ATOM 275 CD2 TYR A 15 10.124 3.138 -1.118 1.00 11.24 C ATOM 276 CE1 TYR A 15 11.606 4.086 -3.244 1.00 72.50 C ATOM 277 CE2 TYR A 15 10.344 2.330 -2.216 1.00 2.40 C ATOM 278 CZ TYR A 15 11.085 2.808 -3.277 1.00 1.54 C ATOM 279 OH TYR A 15 11.305 2.007 -4.374 1.00 61.20 O ATOM 0 H TYR A 15 10.625 7.598 -0.877 1.00 54.30 H new ATOM 0 HA TYR A 15 8.403 5.761 -0.514 1.00 53.32 H new ATOM 0 HB2 TYR A 15 11.302 5.873 0.360 1.00 53.22 H new ATOM 0 HB3 TYR A 15 10.203 4.675 1.013 1.00 53.22 H new ATOM 0 HD1 TYR A 15 11.790 5.885 -2.117 1.00 71.34 H new ATOM 0 HD2 TYR A 15 9.542 2.761 -0.290 1.00 11.24 H new ATOM 0 HE1 TYR A 15 12.186 4.458 -4.076 1.00 72.50 H new ATOM 0 HE2 TYR A 15 9.938 1.330 -2.244 1.00 2.40 H new ATOM 0 HH TYR A 15 10.872 1.139 -4.237 1.00 61.20 H new ATOM 289 N THR A 16 7.807 6.060 1.920 1.00 5.14 N ATOM 290 CA THR A 16 7.267 6.429 3.223 1.00 72.42 C ATOM 291 C THR A 16 6.283 5.380 3.727 1.00 15.42 C ATOM 292 O THR A 16 5.965 4.422 3.021 1.00 60.41 O ATOM 293 CB THR A 16 6.561 7.797 3.172 1.00 22.14 C ATOM 294 OG1 THR A 16 6.185 8.203 4.493 1.00 5.50 O ATOM 295 CG2 THR A 16 5.327 7.737 2.284 1.00 62.21 C ATOM 0 H THR A 16 7.396 5.218 1.516 1.00 5.14 H new ATOM 0 HA THR A 16 8.112 6.490 3.909 1.00 72.42 H new ATOM 0 HB THR A 16 7.256 8.524 2.752 1.00 22.14 H new ATOM 0 HG1 THR A 16 5.738 9.074 4.453 1.00 5.50 H new ATOM 0 HG21 THR A 16 4.845 8.715 2.264 1.00 62.21 H new ATOM 0 HG22 THR A 16 5.620 7.456 1.272 1.00 62.21 H new ATOM 0 HG23 THR A 16 4.630 6.997 2.679 1.00 62.21 H new ATOM 303 N LEU A 17 5.800 5.567 4.950 1.00 62.01 N ATOM 304 CA LEU A 17 4.850 4.636 5.549 1.00 51.13 C ATOM 305 C LEU A 17 3.577 5.359 5.979 1.00 54.52 C ATOM 306 O LEU A 17 2.677 4.758 6.565 1.00 75.10 O ATOM 307 CB LEU A 17 5.481 3.933 6.752 1.00 42.14 C ATOM 308 CG LEU A 17 6.692 3.048 6.451 1.00 4.14 C ATOM 309 CD1 LEU A 17 7.791 3.282 7.476 1.00 23.30 C ATOM 310 CD2 LEU A 17 6.287 1.582 6.427 1.00 34.34 C ATOM 0 H LEU A 17 6.051 6.355 5.547 1.00 62.01 H new ATOM 0 HA LEU A 17 4.588 3.891 4.798 1.00 51.13 H new ATOM 0 HB2 LEU A 17 5.781 4.692 7.475 1.00 42.14 H new ATOM 0 HB3 LEU A 17 4.718 3.320 7.231 1.00 42.14 H new ATOM 0 HG LEU A 17 7.078 3.314 5.467 1.00 4.14 H new ATOM 0 HD11 LEU A 17 8.645 2.644 7.246 1.00 23.30 H new ATOM 0 HD12 LEU A 17 8.100 4.327 7.446 1.00 23.30 H new ATOM 0 HD13 LEU A 17 7.417 3.043 8.472 1.00 23.30 H new ATOM 0 HD21 LEU A 17 7.161 0.967 6.211 1.00 34.34 H new ATOM 0 HD22 LEU A 17 5.876 1.302 7.397 1.00 34.34 H new ATOM 0 HD23 LEU A 17 5.533 1.425 5.655 1.00 34.34 H new ATOM 322 N LYS A 18 3.508 6.652 5.681 1.00 11.24 N ATOM 323 CA LYS A 18 2.345 7.458 6.032 1.00 30.10 C ATOM 324 C LYS A 18 1.237 7.295 4.996 1.00 2.24 C ATOM 325 O LYS A 18 0.155 7.864 5.137 1.00 24.50 O ATOM 326 CB LYS A 18 2.736 8.932 6.149 1.00 3.35 C ATOM 327 CG LYS A 18 3.702 9.217 7.287 1.00 12.11 C ATOM 328 CD LYS A 18 3.317 10.478 8.043 1.00 42.15 C ATOM 329 CE LYS A 18 2.012 10.297 8.801 1.00 50.33 C ATOM 330 NZ LYS A 18 1.799 11.377 9.804 1.00 54.12 N ATOM 0 H LYS A 18 4.245 7.165 5.197 1.00 11.24 H new ATOM 0 HA LYS A 18 1.971 7.111 6.995 1.00 30.10 H new ATOM 0 HB2 LYS A 18 3.187 9.255 5.211 1.00 3.35 H new ATOM 0 HB3 LYS A 18 1.835 9.528 6.291 1.00 3.35 H new ATOM 0 HG2 LYS A 18 3.717 8.370 7.973 1.00 12.11 H new ATOM 0 HG3 LYS A 18 4.712 9.323 6.890 1.00 12.11 H new ATOM 0 HD2 LYS A 18 4.111 10.741 8.742 1.00 42.15 H new ATOM 0 HD3 LYS A 18 3.220 11.308 7.343 1.00 42.15 H new ATOM 0 HE2 LYS A 18 1.181 10.287 8.096 1.00 50.33 H new ATOM 0 HE3 LYS A 18 2.015 9.330 9.304 1.00 50.33 H new ATOM 0 HZ1 LYS A 18 0.899 11.218 10.300 1.00 54.12 H new ATOM 0 HZ2 LYS A 18 2.579 11.371 10.492 1.00 54.12 H new ATOM 0 HZ3 LYS A 18 1.770 12.298 9.322 1.00 54.12 H new ATOM 344 N GLU A 19 1.516 6.515 3.956 1.00 33.44 N ATOM 345 CA GLU A 19 0.541 6.278 2.897 1.00 25.21 C ATOM 346 C GLU A 19 0.186 7.580 2.185 1.00 32.32 C ATOM 347 O GLU A 19 -0.767 7.634 1.406 1.00 74.42 O ATOM 348 CB GLU A 19 -0.724 5.636 3.472 1.00 51.53 C ATOM 349 CG GLU A 19 -0.460 4.350 4.236 1.00 14.34 C ATOM 350 CD GLU A 19 -1.426 3.242 3.864 1.00 53.52 C ATOM 351 OE1 GLU A 19 -1.596 2.984 2.654 1.00 34.34 O ATOM 352 OE2 GLU A 19 -2.013 2.634 4.783 1.00 51.21 O ATOM 0 H GLU A 19 2.407 6.037 3.824 1.00 33.44 H new ATOM 0 HA GLU A 19 0.987 5.597 2.172 1.00 25.21 H new ATOM 0 HB2 GLU A 19 -1.214 6.349 4.135 1.00 51.53 H new ATOM 0 HB3 GLU A 19 -1.419 5.429 2.658 1.00 51.53 H new ATOM 0 HG2 GLU A 19 0.560 4.019 4.041 1.00 14.34 H new ATOM 0 HG3 GLU A 19 -0.532 4.546 5.306 1.00 14.34 H new ATOM 359 N ILE A 20 0.956 8.627 2.458 1.00 5.33 N ATOM 360 CA ILE A 20 0.723 9.928 1.843 1.00 24.42 C ATOM 361 C ILE A 20 2.038 10.655 1.580 1.00 52.25 C ATOM 362 O ILE A 20 2.910 10.714 2.447 1.00 64.14 O ATOM 363 CB ILE A 20 -0.173 10.815 2.726 1.00 42.54 C ATOM 364 CG1 ILE A 20 -1.539 10.157 2.928 1.00 55.40 C ATOM 365 CG2 ILE A 20 -0.331 12.195 2.104 1.00 63.05 C ATOM 366 CD1 ILE A 20 -2.368 10.086 1.664 1.00 41.30 C ATOM 0 H ILE A 20 1.747 8.600 3.101 1.00 5.33 H new ATOM 0 HA ILE A 20 0.217 9.743 0.896 1.00 24.42 H new ATOM 0 HB ILE A 20 0.302 10.929 3.700 1.00 42.54 H new ATOM 0 HG12 ILE A 20 -1.394 9.148 3.315 1.00 55.40 H new ATOM 0 HG13 ILE A 20 -2.092 10.712 3.685 1.00 55.40 H new ATOM 0 HG21 ILE A 20 -0.967 12.810 2.740 1.00 63.05 H new ATOM 0 HG22 ILE A 20 0.648 12.665 2.007 1.00 63.05 H new ATOM 0 HG23 ILE A 20 -0.787 12.100 1.119 1.00 63.05 H new ATOM 0 HD11 ILE A 20 -3.323 9.608 1.882 1.00 41.30 H new ATOM 0 HD12 ILE A 20 -2.544 11.094 1.287 1.00 41.30 H new ATOM 0 HD13 ILE A 20 -1.835 9.505 0.911 1.00 41.30 H new ATOM 378 N CYS A 21 2.172 11.208 0.380 1.00 15.42 N ATOM 379 CA CYS A 21 3.380 11.933 0.002 1.00 61.40 C ATOM 380 C CYS A 21 3.431 13.297 0.683 1.00 51.12 C ATOM 381 O CYS A 21 2.608 14.176 0.428 1.00 12.34 O ATOM 382 CB CYS A 21 3.443 12.105 -1.516 1.00 61.14 C ATOM 383 SG CYS A 21 4.922 12.964 -2.101 1.00 43.04 S ATOM 0 H CYS A 21 1.459 11.168 -0.348 1.00 15.42 H new ATOM 0 HA CYS A 21 4.241 11.351 0.330 1.00 61.40 H new ATOM 0 HB2 CYS A 21 3.398 11.122 -1.984 1.00 61.14 H new ATOM 0 HB3 CYS A 21 2.562 12.656 -1.845 1.00 61.14 H new ATOM 388 N PRO A 22 4.419 13.478 1.571 1.00 3.42 N ATOM 389 CA PRO A 22 4.600 14.733 2.308 1.00 64.42 C ATOM 390 C PRO A 22 5.067 15.872 1.408 1.00 75.03 C ATOM 391 O PRO A 22 5.143 17.024 1.836 1.00 43.04 O ATOM 392 CB PRO A 22 5.681 14.387 3.335 1.00 34.45 C ATOM 393 CG PRO A 22 6.438 13.258 2.725 1.00 4.31 C ATOM 394 CD PRO A 22 5.437 12.475 1.923 1.00 73.52 C ATOM 0 HA PRO A 22 3.668 15.084 2.750 1.00 64.42 H new ATOM 0 HB2 PRO A 22 6.331 15.240 3.528 1.00 34.45 H new ATOM 0 HB3 PRO A 22 5.242 14.099 4.290 1.00 34.45 H new ATOM 0 HG2 PRO A 22 7.244 13.626 2.091 1.00 4.31 H new ATOM 0 HG3 PRO A 22 6.896 12.635 3.493 1.00 4.31 H new ATOM 0 HD2 PRO A 22 5.890 12.035 1.035 1.00 73.52 H new ATOM 0 HD3 PRO A 22 5.010 11.656 2.503 1.00 73.52 H new ATOM 402 N LYS A 23 5.378 15.543 0.158 1.00 11.53 N ATOM 403 CA LYS A 23 5.836 16.538 -0.804 1.00 14.25 C ATOM 404 C LYS A 23 4.653 17.228 -1.477 1.00 31.22 C ATOM 405 O LYS A 23 4.488 18.443 -1.369 1.00 4.32 O ATOM 406 CB LYS A 23 6.726 15.883 -1.861 1.00 64.35 C ATOM 407 CG LYS A 23 8.079 16.557 -2.020 1.00 60.30 C ATOM 408 CD LYS A 23 8.887 16.494 -0.735 1.00 3.25 C ATOM 409 CE LYS A 23 10.302 17.015 -0.940 1.00 34.14 C ATOM 410 NZ LYS A 23 11.066 16.176 -1.903 1.00 75.13 N ATOM 0 H LYS A 23 5.321 14.594 -0.212 1.00 11.53 H new ATOM 0 HA LYS A 23 6.414 17.289 -0.266 1.00 14.25 H new ATOM 0 HB2 LYS A 23 6.880 14.837 -1.597 1.00 64.35 H new ATOM 0 HB3 LYS A 23 6.208 15.897 -2.820 1.00 64.35 H new ATOM 0 HG2 LYS A 23 8.635 16.075 -2.824 1.00 60.30 H new ATOM 0 HG3 LYS A 23 7.936 17.598 -2.311 1.00 60.30 H new ATOM 0 HD2 LYS A 23 8.390 17.081 0.037 1.00 3.25 H new ATOM 0 HD3 LYS A 23 8.925 15.465 -0.378 1.00 3.25 H new ATOM 0 HE2 LYS A 23 10.262 18.042 -1.304 1.00 34.14 H new ATOM 0 HE3 LYS A 23 10.824 17.036 0.017 1.00 34.14 H new ATOM 0 HZ1 LYS A 23 12.084 16.348 -1.781 1.00 75.13 H new ATOM 0 HZ2 LYS A 23 10.861 15.172 -1.727 1.00 75.13 H new ATOM 0 HZ3 LYS A 23 10.787 16.421 -2.874 1.00 75.13 H new ATOM 424 N CYS A 24 3.834 16.445 -2.170 1.00 2.32 N ATOM 425 CA CYS A 24 2.666 16.982 -2.860 1.00 71.51 C ATOM 426 C CYS A 24 1.387 16.657 -2.095 1.00 54.34 C ATOM 427 O CYS A 24 0.482 17.486 -1.999 1.00 42.23 O ATOM 428 CB CYS A 24 2.583 16.418 -4.280 1.00 25.32 C ATOM 429 SG CYS A 24 2.605 14.612 -4.360 1.00 30.32 S ATOM 0 H CYS A 24 3.957 15.437 -2.269 1.00 2.32 H new ATOM 0 HA CYS A 24 2.771 18.066 -2.913 1.00 71.51 H new ATOM 0 HB2 CYS A 24 1.669 16.781 -4.750 1.00 25.32 H new ATOM 0 HB3 CYS A 24 3.418 16.807 -4.863 1.00 25.32 H new ATOM 434 N GLY A 25 1.317 15.445 -1.556 1.00 21.44 N ATOM 435 CA GLY A 25 0.143 15.031 -0.808 1.00 25.02 C ATOM 436 C GLY A 25 -0.467 13.753 -1.348 1.00 11.42 C ATOM 437 O GLY A 25 -1.126 13.016 -0.616 1.00 12.21 O ATOM 0 H GLY A 25 2.052 14.741 -1.623 1.00 21.44 H new ATOM 0 HA2 GLY A 25 0.414 14.887 0.238 1.00 25.02 H new ATOM 0 HA3 GLY A 25 -0.602 15.826 -0.837 1.00 25.02 H new ATOM 441 N GLU A 26 -0.250 13.492 -2.634 1.00 3.54 N ATOM 442 CA GLU A 26 -0.787 12.297 -3.271 1.00 33.40 C ATOM 443 C GLU A 26 -0.465 11.051 -2.450 1.00 63.11 C ATOM 444 O GLU A 26 0.648 10.896 -1.947 1.00 62.43 O ATOM 445 CB GLU A 26 -0.222 12.148 -4.685 1.00 75.11 C ATOM 446 CG GLU A 26 -0.854 11.015 -5.477 1.00 40.00 C ATOM 447 CD GLU A 26 -2.350 10.908 -5.250 1.00 60.23 C ATOM 448 OE1 GLU A 26 -3.042 11.943 -5.347 1.00 43.15 O ATOM 449 OE2 GLU A 26 -2.828 9.787 -4.974 1.00 52.41 O ATOM 0 H GLU A 26 0.294 14.092 -3.254 1.00 3.54 H new ATOM 0 HA GLU A 26 -1.870 12.404 -3.329 1.00 33.40 H new ATOM 0 HB2 GLU A 26 -0.367 13.083 -5.226 1.00 75.11 H new ATOM 0 HB3 GLU A 26 0.853 11.980 -4.622 1.00 75.11 H new ATOM 0 HG2 GLU A 26 -0.661 11.167 -6.539 1.00 40.00 H new ATOM 0 HG3 GLU A 26 -0.380 10.074 -5.199 1.00 40.00 H new ATOM 456 N LYS A 27 -1.447 10.166 -2.318 1.00 32.03 N ATOM 457 CA LYS A 27 -1.270 8.934 -1.558 1.00 61.45 C ATOM 458 C LYS A 27 -0.154 8.082 -2.156 1.00 2.52 C ATOM 459 O LYS A 27 0.036 8.052 -3.372 1.00 13.41 O ATOM 460 CB LYS A 27 -2.576 8.135 -1.531 1.00 43.53 C ATOM 461 CG LYS A 27 -3.794 8.973 -1.185 1.00 3.53 C ATOM 462 CD LYS A 27 -4.733 8.231 -0.248 1.00 40.51 C ATOM 463 CE LYS A 27 -5.584 7.220 -1.000 1.00 15.44 C ATOM 464 NZ LYS A 27 -6.458 7.875 -2.013 1.00 12.13 N ATOM 0 H LYS A 27 -2.374 10.279 -2.728 1.00 32.03 H new ATOM 0 HA LYS A 27 -0.993 9.202 -0.538 1.00 61.45 H new ATOM 0 HB2 LYS A 27 -2.729 7.672 -2.506 1.00 43.53 H new ATOM 0 HB3 LYS A 27 -2.483 7.327 -0.805 1.00 43.53 H new ATOM 0 HG2 LYS A 27 -3.475 9.905 -0.719 1.00 3.53 H new ATOM 0 HG3 LYS A 27 -4.325 9.239 -2.099 1.00 3.53 H new ATOM 0 HD2 LYS A 27 -4.153 7.720 0.521 1.00 40.51 H new ATOM 0 HD3 LYS A 27 -5.380 8.945 0.262 1.00 40.51 H new ATOM 0 HE2 LYS A 27 -4.936 6.495 -1.493 1.00 15.44 H new ATOM 0 HE3 LYS A 27 -6.201 6.666 -0.292 1.00 15.44 H new ATOM 0 HZ1 LYS A 27 -7.279 7.267 -2.209 1.00 12.13 H new ATOM 0 HZ2 LYS A 27 -6.786 8.792 -1.648 1.00 12.13 H new ATOM 0 HZ3 LYS A 27 -5.921 8.024 -2.891 1.00 12.13 H new ATOM 478 N THR A 28 0.583 7.391 -1.291 1.00 54.03 N ATOM 479 CA THR A 28 1.680 6.539 -1.734 1.00 22.34 C ATOM 480 C THR A 28 1.203 5.113 -1.982 1.00 40.05 C ATOM 481 O THR A 28 0.290 4.627 -1.313 1.00 44.05 O ATOM 482 CB THR A 28 2.822 6.513 -0.701 1.00 3.21 C ATOM 483 OG1 THR A 28 2.288 6.617 0.623 1.00 23.04 O ATOM 484 CG2 THR A 28 3.802 7.651 -0.948 1.00 74.23 C ATOM 0 H THR A 28 0.440 7.405 -0.281 1.00 54.03 H new ATOM 0 HA THR A 28 2.052 6.962 -2.667 1.00 22.34 H new ATOM 0 HB THR A 28 3.354 5.567 -0.805 1.00 3.21 H new ATOM 0 HG1 THR A 28 3.021 6.598 1.274 1.00 23.04 H new ATOM 0 HG21 THR A 28 4.600 7.612 -0.206 1.00 74.23 H new ATOM 0 HG22 THR A 28 4.230 7.553 -1.946 1.00 74.23 H new ATOM 0 HG23 THR A 28 3.280 8.604 -0.869 1.00 74.23 H new ATOM 492 N VAL A 29 1.826 4.446 -2.949 1.00 73.43 N ATOM 493 CA VAL A 29 1.465 3.073 -3.285 1.00 21.44 C ATOM 494 C VAL A 29 2.688 2.162 -3.259 1.00 3.33 C ATOM 495 O VAL A 29 3.801 2.590 -3.567 1.00 55.31 O ATOM 496 CB VAL A 29 0.807 2.990 -4.674 1.00 72.53 C ATOM 497 CG1 VAL A 29 -0.352 3.970 -4.775 1.00 52.30 C ATOM 498 CG2 VAL A 29 1.833 3.251 -5.767 1.00 21.45 C ATOM 0 H VAL A 29 2.582 4.834 -3.513 1.00 73.43 H new ATOM 0 HA VAL A 29 0.750 2.740 -2.532 1.00 21.44 H new ATOM 0 HB VAL A 29 0.413 1.983 -4.810 1.00 72.53 H new ATOM 0 HG11 VAL A 29 -0.805 3.897 -5.764 1.00 52.30 H new ATOM 0 HG12 VAL A 29 -1.097 3.732 -4.016 1.00 52.30 H new ATOM 0 HG13 VAL A 29 0.014 4.984 -4.618 1.00 52.30 H new ATOM 0 HG21 VAL A 29 1.350 3.188 -6.742 1.00 21.45 H new ATOM 0 HG22 VAL A 29 2.259 4.246 -5.636 1.00 21.45 H new ATOM 0 HG23 VAL A 29 2.626 2.506 -5.707 1.00 21.45 H new ATOM 508 N ILE A 30 2.472 0.904 -2.889 1.00 64.24 N ATOM 509 CA ILE A 30 3.557 -0.068 -2.824 1.00 63.13 C ATOM 510 C ILE A 30 4.204 -0.262 -4.191 1.00 63.03 C ATOM 511 O ILE A 30 3.600 -0.796 -5.121 1.00 51.13 O ATOM 512 CB ILE A 30 3.061 -1.431 -2.306 1.00 1.11 C ATOM 513 CG1 ILE A 30 2.415 -1.273 -0.928 1.00 3.54 C ATOM 514 CG2 ILE A 30 4.211 -2.426 -2.246 1.00 15.31 C ATOM 515 CD1 ILE A 30 3.380 -0.813 0.143 1.00 11.03 C ATOM 0 H ILE A 30 1.557 0.534 -2.630 1.00 64.24 H new ATOM 0 HA ILE A 30 4.296 0.330 -2.128 1.00 63.13 H new ATOM 0 HB ILE A 30 2.310 -1.814 -2.997 1.00 1.11 H new ATOM 0 HG12 ILE A 30 1.596 -0.557 -1.000 1.00 3.54 H new ATOM 0 HG13 ILE A 30 1.980 -2.226 -0.628 1.00 3.54 H new ATOM 0 HG21 ILE A 30 3.844 -3.384 -1.878 1.00 15.31 H new ATOM 0 HG22 ILE A 30 4.631 -2.557 -3.243 1.00 15.31 H new ATOM 0 HG23 ILE A 30 4.982 -2.050 -1.574 1.00 15.31 H new ATOM 0 HD11 ILE A 30 2.853 -0.723 1.093 1.00 11.03 H new ATOM 0 HD12 ILE A 30 4.186 -1.540 0.243 1.00 11.03 H new ATOM 0 HD13 ILE A 30 3.797 0.155 -0.134 1.00 11.03 H new ATOM 527 N PRO A 31 5.464 0.180 -4.317 1.00 11.12 N ATOM 528 CA PRO A 31 6.223 0.065 -5.566 1.00 55.05 C ATOM 529 C PRO A 31 6.593 -1.379 -5.888 1.00 33.31 C ATOM 530 O PRO A 31 6.436 -1.834 -7.021 1.00 73.11 O ATOM 531 CB PRO A 31 7.481 0.892 -5.295 1.00 40.22 C ATOM 532 CG PRO A 31 7.639 0.867 -3.814 1.00 41.22 C ATOM 533 CD PRO A 31 6.246 0.827 -3.250 1.00 23.41 C ATOM 0 HA PRO A 31 5.648 0.409 -6.426 1.00 55.05 H new ATOM 0 HB2 PRO A 31 8.351 0.464 -5.793 1.00 40.22 H new ATOM 0 HB3 PRO A 31 7.372 1.912 -5.664 1.00 40.22 H new ATOM 0 HG2 PRO A 31 8.213 -0.004 -3.497 1.00 41.22 H new ATOM 0 HG3 PRO A 31 8.177 1.748 -3.464 1.00 41.22 H new ATOM 0 HD2 PRO A 31 6.205 0.259 -2.321 1.00 23.41 H new ATOM 0 HD3 PRO A 31 5.873 1.827 -3.029 1.00 23.41 H new ATOM 541 N LYS A 32 7.086 -2.097 -4.884 1.00 2.43 N ATOM 542 CA LYS A 32 7.477 -3.491 -5.058 1.00 42.45 C ATOM 543 C LYS A 32 6.902 -4.361 -3.946 1.00 3.31 C ATOM 544 O LYS A 32 6.635 -3.897 -2.837 1.00 0.03 O ATOM 545 CB LYS A 32 9.003 -3.613 -5.079 1.00 75.43 C ATOM 546 CG LYS A 32 9.644 -3.462 -3.711 1.00 73.51 C ATOM 547 CD LYS A 32 11.041 -2.872 -3.813 1.00 61.33 C ATOM 548 CE LYS A 32 11.600 -2.523 -2.441 1.00 53.15 C ATOM 549 NZ LYS A 32 12.128 -3.724 -1.737 1.00 24.14 N ATOM 0 H LYS A 32 7.224 -1.736 -3.940 1.00 2.43 H new ATOM 0 HA LYS A 32 7.076 -3.839 -6.010 1.00 42.45 H new ATOM 0 HB2 LYS A 32 9.276 -4.583 -5.494 1.00 75.43 H new ATOM 0 HB3 LYS A 32 9.411 -2.855 -5.748 1.00 75.43 H new ATOM 0 HG2 LYS A 32 9.022 -2.822 -3.085 1.00 73.51 H new ATOM 0 HG3 LYS A 32 9.693 -4.435 -3.222 1.00 73.51 H new ATOM 0 HD2 LYS A 32 11.703 -3.584 -4.306 1.00 61.33 H new ATOM 0 HD3 LYS A 32 11.015 -1.977 -4.435 1.00 61.33 H new ATOM 0 HE2 LYS A 32 12.396 -1.786 -2.550 1.00 53.15 H new ATOM 0 HE3 LYS A 32 10.819 -2.062 -1.837 1.00 53.15 H new ATOM 0 HZ1 LYS A 32 12.295 -3.495 -0.736 1.00 24.14 H new ATOM 0 HZ2 LYS A 32 11.436 -4.498 -1.804 1.00 24.14 H new ATOM 0 HZ3 LYS A 32 13.022 -4.020 -2.178 1.00 24.14 H new ATOM 563 N PRO A 33 6.706 -5.653 -4.245 1.00 71.53 N ATOM 564 CA PRO A 33 6.163 -6.615 -3.282 1.00 54.14 C ATOM 565 C PRO A 33 7.141 -6.924 -2.155 1.00 40.13 C ATOM 566 O PRO A 33 8.322 -6.580 -2.214 1.00 42.33 O ATOM 567 CB PRO A 33 5.914 -7.865 -4.132 1.00 1.30 C ATOM 568 CG PRO A 33 6.870 -7.747 -5.268 1.00 42.54 C ATOM 569 CD PRO A 33 7.002 -6.274 -5.548 1.00 32.54 C ATOM 0 HA PRO A 33 5.270 -6.234 -2.786 1.00 54.14 H new ATOM 0 HB2 PRO A 33 6.091 -8.775 -3.559 1.00 1.30 H new ATOM 0 HB3 PRO A 33 4.883 -7.905 -4.484 1.00 1.30 H new ATOM 0 HG2 PRO A 33 7.835 -8.184 -5.012 1.00 42.54 H new ATOM 0 HG3 PRO A 33 6.502 -8.279 -6.145 1.00 42.54 H new ATOM 0 HD2 PRO A 33 8.003 -6.019 -5.897 1.00 32.54 H new ATOM 0 HD3 PRO A 33 6.303 -5.947 -6.318 1.00 32.54 H new ATOM 577 N PRO A 34 6.643 -7.588 -1.103 1.00 34.53 N ATOM 578 CA PRO A 34 7.458 -7.958 0.059 1.00 32.12 C ATOM 579 C PRO A 34 8.474 -9.046 -0.269 1.00 40.14 C ATOM 580 O PRO A 34 8.622 -9.445 -1.426 1.00 1.32 O ATOM 581 CB PRO A 34 6.427 -8.477 1.065 1.00 13.31 C ATOM 582 CG PRO A 34 5.284 -8.943 0.230 1.00 2.10 C ATOM 583 CD PRO A 34 5.245 -8.030 -0.964 1.00 11.03 C ATOM 0 HA PRO A 34 8.048 -7.118 0.427 1.00 32.12 H new ATOM 0 HB2 PRO A 34 6.835 -9.289 1.666 1.00 13.31 H new ATOM 0 HB3 PRO A 34 6.118 -7.693 1.756 1.00 13.31 H new ATOM 0 HG2 PRO A 34 5.421 -9.980 -0.076 1.00 2.10 H new ATOM 0 HG3 PRO A 34 4.349 -8.896 0.788 1.00 2.10 H new ATOM 0 HD2 PRO A 34 4.898 -8.551 -1.856 1.00 11.03 H new ATOM 0 HD3 PRO A 34 4.572 -7.188 -0.804 1.00 11.03 H new ATOM 591 N LYS A 35 9.176 -9.523 0.753 1.00 15.44 N ATOM 592 CA LYS A 35 10.178 -10.567 0.574 1.00 0.24 C ATOM 593 C LYS A 35 9.528 -11.946 0.536 1.00 32.24 C ATOM 594 O LYS A 35 9.843 -12.769 -0.323 1.00 1.22 O ATOM 595 CB LYS A 35 11.211 -10.509 1.702 1.00 0.43 C ATOM 596 CG LYS A 35 11.593 -9.095 2.106 1.00 54.24 C ATOM 597 CD LYS A 35 12.053 -8.280 0.909 1.00 43.54 C ATOM 598 CE LYS A 35 13.283 -8.893 0.255 1.00 21.24 C ATOM 599 NZ LYS A 35 13.857 -8.003 -0.791 1.00 12.11 N ATOM 0 H LYS A 35 9.069 -9.203 1.715 1.00 15.44 H new ATOM 0 HA LYS A 35 10.679 -10.395 -0.379 1.00 0.24 H new ATOM 0 HB2 LYS A 35 10.815 -11.032 2.573 1.00 0.43 H new ATOM 0 HB3 LYS A 35 12.108 -11.043 1.389 1.00 0.43 H new ATOM 0 HG2 LYS A 35 10.739 -8.606 2.574 1.00 54.24 H new ATOM 0 HG3 LYS A 35 12.388 -9.130 2.851 1.00 54.24 H new ATOM 0 HD2 LYS A 35 11.246 -8.216 0.179 1.00 43.54 H new ATOM 0 HD3 LYS A 35 12.278 -7.262 1.226 1.00 43.54 H new ATOM 0 HE2 LYS A 35 14.037 -9.092 1.016 1.00 21.24 H new ATOM 0 HE3 LYS A 35 13.018 -9.852 -0.190 1.00 21.24 H new ATOM 0 HZ1 LYS A 35 14.005 -8.546 -1.666 1.00 12.11 H new ATOM 0 HZ2 LYS A 35 13.201 -7.218 -0.977 1.00 12.11 H new ATOM 0 HZ3 LYS A 35 14.767 -7.622 -0.462 1.00 12.11 H new ATOM 613 N PHE A 36 8.617 -12.191 1.473 1.00 32.31 N ATOM 614 CA PHE A 36 7.921 -13.471 1.546 1.00 51.25 C ATOM 615 C PHE A 36 6.417 -13.283 1.374 1.00 75.42 C ATOM 616 O PHE A 36 5.729 -12.826 2.286 1.00 32.24 O ATOM 617 CB PHE A 36 8.211 -14.158 2.882 1.00 21.21 C ATOM 618 CG PHE A 36 8.224 -13.214 4.050 1.00 34.42 C ATOM 619 CD1 PHE A 36 9.374 -12.519 4.385 1.00 45.24 C ATOM 620 CD2 PHE A 36 7.084 -13.022 4.815 1.00 31.42 C ATOM 621 CE1 PHE A 36 9.390 -11.650 5.459 1.00 13.11 C ATOM 622 CE2 PHE A 36 7.093 -12.154 5.890 1.00 34.53 C ATOM 623 CZ PHE A 36 8.247 -11.468 6.214 1.00 53.12 C ATOM 0 H PHE A 36 8.344 -11.521 2.192 1.00 32.31 H new ATOM 0 HA PHE A 36 8.286 -14.101 0.735 1.00 51.25 H new ATOM 0 HB2 PHE A 36 7.460 -14.929 3.056 1.00 21.21 H new ATOM 0 HB3 PHE A 36 9.176 -14.661 2.821 1.00 21.21 H new ATOM 0 HD1 PHE A 36 10.270 -12.658 3.799 1.00 45.24 H new ATOM 0 HD2 PHE A 36 6.179 -13.557 4.568 1.00 31.42 H new ATOM 0 HE1 PHE A 36 10.294 -11.114 5.708 1.00 13.11 H new ATOM 0 HE2 PHE A 36 6.198 -12.012 6.477 1.00 34.53 H new ATOM 0 HZ PHE A 36 8.256 -10.791 7.055 1.00 53.12 H new ATOM 633 N SER A 37 5.913 -13.639 0.196 1.00 1.22 N ATOM 634 CA SER A 37 4.491 -13.506 -0.098 1.00 3.20 C ATOM 635 C SER A 37 3.741 -14.787 0.255 1.00 72.00 C ATOM 636 O SER A 37 2.650 -14.744 0.824 1.00 12.03 O ATOM 637 CB SER A 37 4.285 -13.171 -1.577 1.00 13.24 C ATOM 638 OG SER A 37 2.962 -13.473 -1.987 1.00 54.22 O ATOM 0 H SER A 37 6.468 -14.021 -0.569 1.00 1.22 H new ATOM 0 HA SER A 37 4.093 -12.694 0.510 1.00 3.20 H new ATOM 0 HB2 SER A 37 4.489 -12.114 -1.746 1.00 13.24 H new ATOM 0 HB3 SER A 37 4.995 -13.734 -2.183 1.00 13.24 H new ATOM 0 HG SER A 37 2.854 -13.249 -2.935 1.00 54.22 H new ATOM 644 N LEU A 38 4.334 -15.926 -0.087 1.00 2.44 N ATOM 645 CA LEU A 38 3.723 -17.220 0.193 1.00 64.11 C ATOM 646 C LEU A 38 3.482 -17.397 1.689 1.00 41.05 C ATOM 647 O LEU A 38 2.645 -18.198 2.102 1.00 32.11 O ATOM 648 CB LEU A 38 4.613 -18.349 -0.328 1.00 41.05 C ATOM 649 CG LEU A 38 3.949 -19.721 -0.460 1.00 42.35 C ATOM 650 CD1 LEU A 38 3.141 -19.801 -1.746 1.00 74.30 C ATOM 651 CD2 LEU A 38 4.995 -20.826 -0.416 1.00 22.14 C ATOM 0 H LEU A 38 5.237 -15.979 -0.558 1.00 2.44 H new ATOM 0 HA LEU A 38 2.761 -17.258 -0.318 1.00 64.11 H new ATOM 0 HB2 LEU A 38 4.999 -18.059 -1.305 1.00 41.05 H new ATOM 0 HB3 LEU A 38 5.471 -18.445 0.338 1.00 41.05 H new ATOM 0 HG LEU A 38 3.269 -19.857 0.381 1.00 42.35 H new ATOM 0 HD11 LEU A 38 2.676 -20.784 -1.823 1.00 74.30 H new ATOM 0 HD12 LEU A 38 2.367 -19.033 -1.738 1.00 74.30 H new ATOM 0 HD13 LEU A 38 3.800 -19.643 -2.600 1.00 74.30 H new ATOM 0 HD21 LEU A 38 4.505 -21.795 -0.511 1.00 22.14 H new ATOM 0 HD22 LEU A 38 5.699 -20.693 -1.237 1.00 22.14 H new ATOM 0 HD23 LEU A 38 5.531 -20.782 0.532 1.00 22.14 H new ATOM 663 N GLU A 39 4.222 -16.641 2.495 1.00 1.52 N ATOM 664 CA GLU A 39 4.087 -16.714 3.945 1.00 5.42 C ATOM 665 C GLU A 39 3.229 -15.566 4.470 1.00 74.13 C ATOM 666 O GLU A 39 2.614 -15.673 5.531 1.00 11.25 O ATOM 667 CB GLU A 39 5.465 -16.680 4.610 1.00 2.24 C ATOM 668 CG GLU A 39 6.179 -18.021 4.599 1.00 51.10 C ATOM 669 CD GLU A 39 7.658 -17.897 4.911 1.00 11.11 C ATOM 670 OE1 GLU A 39 8.078 -16.818 5.378 1.00 42.24 O ATOM 671 OE2 GLU A 39 8.395 -18.880 4.688 1.00 64.42 O ATOM 0 H GLU A 39 4.920 -15.972 2.169 1.00 1.52 H new ATOM 0 HA GLU A 39 3.595 -17.655 4.192 1.00 5.42 H new ATOM 0 HB2 GLU A 39 6.086 -15.943 4.102 1.00 2.24 H new ATOM 0 HB3 GLU A 39 5.353 -16.346 5.641 1.00 2.24 H new ATOM 0 HG2 GLU A 39 5.712 -18.683 5.328 1.00 51.10 H new ATOM 0 HG3 GLU A 39 6.056 -18.486 3.621 1.00 51.10 H new ATOM 678 N ASP A 40 3.193 -14.471 3.720 1.00 63.33 N ATOM 679 CA ASP A 40 2.411 -13.303 4.109 1.00 55.14 C ATOM 680 C ASP A 40 0.970 -13.695 4.424 1.00 44.03 C ATOM 681 O ASP A 40 0.170 -13.937 3.520 1.00 60.02 O ATOM 682 CB ASP A 40 2.435 -12.254 2.996 1.00 1.02 C ATOM 683 CG ASP A 40 3.569 -11.262 3.161 1.00 11.21 C ATOM 684 OD1 ASP A 40 3.945 -10.977 4.317 1.00 4.22 O ATOM 685 OD2 ASP A 40 4.082 -10.771 2.133 1.00 14.14 O ATOM 0 H ASP A 40 3.696 -14.367 2.839 1.00 63.33 H new ATOM 0 HA ASP A 40 2.858 -12.879 5.008 1.00 55.14 H new ATOM 0 HB2 ASP A 40 2.530 -12.753 2.032 1.00 1.02 H new ATOM 0 HB3 ASP A 40 1.486 -11.718 2.985 1.00 1.02 H new ATOM 690 N ARG A 41 0.647 -13.756 5.712 1.00 61.12 N ATOM 691 CA ARG A 41 -0.695 -14.121 6.146 1.00 55.41 C ATOM 692 C ARG A 41 -1.719 -13.098 5.665 1.00 55.14 C ATOM 693 O ARG A 41 -2.898 -13.414 5.502 1.00 71.44 O ATOM 694 CB ARG A 41 -0.748 -14.232 7.671 1.00 73.51 C ATOM 695 CG ARG A 41 -0.279 -12.978 8.389 1.00 24.33 C ATOM 696 CD ARG A 41 -0.332 -13.148 9.900 1.00 24.20 C ATOM 697 NE ARG A 41 -0.076 -11.893 10.602 1.00 75.11 N ATOM 698 CZ ARG A 41 -0.377 -11.691 11.879 1.00 34.10 C ATOM 699 NH1 ARG A 41 -0.942 -12.656 12.592 1.00 74.23 N ATOM 700 NH2 ARG A 41 -0.113 -10.521 12.447 1.00 31.10 N ATOM 0 H ARG A 41 1.297 -13.557 6.473 1.00 61.12 H new ATOM 0 HA ARG A 41 -0.940 -15.089 5.709 1.00 55.41 H new ATOM 0 HB2 ARG A 41 -1.771 -14.454 7.975 1.00 73.51 H new ATOM 0 HB3 ARG A 41 -0.132 -15.074 7.987 1.00 73.51 H new ATOM 0 HG2 ARG A 41 0.741 -12.743 8.084 1.00 24.33 H new ATOM 0 HG3 ARG A 41 -0.903 -12.134 8.095 1.00 24.33 H new ATOM 0 HD2 ARG A 41 -1.311 -13.531 10.187 1.00 24.20 H new ATOM 0 HD3 ARG A 41 0.404 -13.892 10.207 1.00 24.20 H new ATOM 0 HE ARG A 41 0.358 -11.130 10.082 1.00 75.11 H new ATOM 0 HH11 ARG A 41 -1.147 -13.557 12.159 1.00 74.23 H new ATOM 0 HH12 ARG A 41 -1.172 -12.497 13.573 1.00 74.23 H new ATOM 0 HH21 ARG A 41 0.322 -9.776 11.902 1.00 31.10 H new ATOM 0 HH22 ARG A 41 -0.345 -10.367 13.428 1.00 31.10 H new ATOM 714 N TRP A 42 -1.262 -11.873 5.438 1.00 5.55 N ATOM 715 CA TRP A 42 -2.138 -10.802 4.975 1.00 33.02 C ATOM 716 C TRP A 42 -2.103 -10.689 3.455 1.00 3.14 C ATOM 717 O TRP A 42 -2.460 -9.655 2.893 1.00 51.41 O ATOM 718 CB TRP A 42 -1.731 -9.471 5.609 1.00 71.32 C ATOM 719 CG TRP A 42 -2.403 -9.207 6.922 1.00 21.31 C ATOM 720 CD1 TRP A 42 -2.839 -10.138 7.821 1.00 64.53 C ATOM 721 CD2 TRP A 42 -2.718 -7.928 7.482 1.00 25.40 C ATOM 722 NE1 TRP A 42 -3.405 -9.515 8.907 1.00 64.11 N ATOM 723 CE2 TRP A 42 -3.342 -8.159 8.723 1.00 55.42 C ATOM 724 CE3 TRP A 42 -2.531 -6.610 7.056 1.00 11.24 C ATOM 725 CZ2 TRP A 42 -3.782 -7.120 9.540 1.00 2.10 C ATOM 726 CZ3 TRP A 42 -2.968 -5.580 7.868 1.00 24.02 C ATOM 727 CH2 TRP A 42 -3.586 -5.840 9.098 1.00 1.50 C ATOM 0 H TRP A 42 -0.289 -11.595 5.567 1.00 5.55 H new ATOM 0 HA TRP A 42 -3.157 -11.043 5.279 1.00 33.02 H new ATOM 0 HB2 TRP A 42 -0.651 -9.461 5.754 1.00 71.32 H new ATOM 0 HB3 TRP A 42 -1.967 -8.661 4.919 1.00 71.32 H new ATOM 0 HD1 TRP A 42 -2.752 -11.207 7.697 1.00 64.53 H new ATOM 0 HE1 TRP A 42 -3.807 -9.985 9.718 1.00 64.11 H new ATOM 0 HE3 TRP A 42 -2.054 -6.400 6.110 1.00 11.24 H new ATOM 0 HZ2 TRP A 42 -4.260 -7.318 10.488 1.00 2.10 H new ATOM 0 HZ3 TRP A 42 -2.831 -4.557 7.549 1.00 24.02 H new ATOM 0 HH2 TRP A 42 -3.915 -5.013 9.710 1.00 1.50 H new ATOM 738 N GLY A 43 -1.669 -11.759 2.796 1.00 64.12 N ATOM 739 CA GLY A 43 -1.596 -11.757 1.347 1.00 64.33 C ATOM 740 C GLY A 43 -2.915 -11.391 0.699 1.00 11.43 C ATOM 741 O GLY A 43 -2.945 -10.806 -0.384 1.00 62.33 O ATOM 0 H GLY A 43 -1.367 -12.626 3.240 1.00 64.12 H new ATOM 0 HA2 GLY A 43 -0.830 -11.051 1.026 1.00 64.33 H new ATOM 0 HA3 GLY A 43 -1.286 -12.743 1.001 1.00 64.33 H new ATOM 745 N LYS A 44 -4.014 -11.737 1.362 1.00 11.31 N ATOM 746 CA LYS A 44 -5.345 -11.442 0.845 1.00 23.11 C ATOM 747 C LYS A 44 -5.730 -9.994 1.130 1.00 54.32 C ATOM 748 O LYS A 44 -6.505 -9.390 0.386 1.00 23.51 O ATOM 749 CB LYS A 44 -6.376 -12.387 1.467 1.00 53.23 C ATOM 750 CG LYS A 44 -6.352 -12.400 2.985 1.00 34.21 C ATOM 751 CD LYS A 44 -7.544 -13.151 3.555 1.00 43.14 C ATOM 752 CE LYS A 44 -7.352 -14.656 3.460 1.00 72.34 C ATOM 753 NZ LYS A 44 -6.343 -15.151 4.438 1.00 52.31 N ATOM 0 H LYS A 44 -4.009 -12.222 2.259 1.00 11.31 H new ATOM 0 HA LYS A 44 -5.330 -11.590 -0.235 1.00 23.11 H new ATOM 0 HB2 LYS A 44 -7.371 -12.097 1.130 1.00 53.23 H new ATOM 0 HB3 LYS A 44 -6.197 -13.398 1.101 1.00 53.23 H new ATOM 0 HG2 LYS A 44 -5.429 -12.864 3.331 1.00 34.21 H new ATOM 0 HG3 LYS A 44 -6.353 -11.376 3.359 1.00 34.21 H new ATOM 0 HD2 LYS A 44 -7.690 -12.867 4.597 1.00 43.14 H new ATOM 0 HD3 LYS A 44 -8.447 -12.864 3.017 1.00 43.14 H new ATOM 0 HE2 LYS A 44 -8.305 -15.155 3.637 1.00 72.34 H new ATOM 0 HE3 LYS A 44 -7.038 -14.919 2.450 1.00 72.34 H new ATOM 0 HZ1 LYS A 44 -6.398 -16.188 4.499 1.00 52.31 H new ATOM 0 HZ2 LYS A 44 -5.391 -14.872 4.126 1.00 52.31 H new ATOM 0 HZ3 LYS A 44 -6.535 -14.739 5.373 1.00 52.31 H new ATOM 767 N TYR A 45 -5.186 -9.443 2.207 1.00 3.15 N ATOM 768 CA TYR A 45 -5.474 -8.065 2.590 1.00 24.41 C ATOM 769 C TYR A 45 -5.121 -7.102 1.461 1.00 52.40 C ATOM 770 O TYR A 45 -5.667 -6.002 1.376 1.00 1.45 O ATOM 771 CB TYR A 45 -4.698 -7.692 3.855 1.00 41.24 C ATOM 772 CG TYR A 45 -5.013 -6.307 4.372 1.00 4.20 C ATOM 773 CD1 TYR A 45 -6.076 -6.092 5.239 1.00 52.33 C ATOM 774 CD2 TYR A 45 -4.245 -5.212 3.993 1.00 24.11 C ATOM 775 CE1 TYR A 45 -6.368 -4.828 5.713 1.00 41.50 C ATOM 776 CE2 TYR A 45 -4.528 -3.944 4.464 1.00 55.24 C ATOM 777 CZ TYR A 45 -5.591 -3.757 5.323 1.00 63.12 C ATOM 778 OH TYR A 45 -5.877 -2.496 5.794 1.00 51.12 O ATOM 0 H TYR A 45 -4.542 -9.928 2.832 1.00 3.15 H new ATOM 0 HA TYR A 45 -6.542 -7.986 2.791 1.00 24.41 H new ATOM 0 HB2 TYR A 45 -4.919 -8.421 4.635 1.00 41.24 H new ATOM 0 HB3 TYR A 45 -3.630 -7.760 3.649 1.00 41.24 H new ATOM 0 HD1 TYR A 45 -6.685 -6.928 5.548 1.00 52.33 H new ATOM 0 HD2 TYR A 45 -3.413 -5.355 3.319 1.00 24.11 H new ATOM 0 HE1 TYR A 45 -7.200 -4.679 6.385 1.00 41.50 H new ATOM 0 HE2 TYR A 45 -3.920 -3.104 4.161 1.00 55.24 H new ATOM 0 HH TYR A 45 -5.234 -1.855 5.424 1.00 51.12 H new ATOM 788 N ARG A 46 -4.207 -7.524 0.595 1.00 24.32 N ATOM 789 CA ARG A 46 -3.780 -6.699 -0.530 1.00 24.14 C ATOM 790 C ARG A 46 -4.983 -6.208 -1.329 1.00 72.20 C ATOM 791 O ARG A 46 -5.295 -5.017 -1.332 1.00 4.34 O ATOM 792 CB ARG A 46 -2.837 -7.488 -1.439 1.00 2.10 C ATOM 793 CG ARG A 46 -1.380 -7.419 -1.011 1.00 40.00 C ATOM 794 CD ARG A 46 -0.753 -6.084 -1.381 1.00 62.23 C ATOM 795 NE ARG A 46 0.691 -6.192 -1.573 1.00 21.01 N ATOM 796 CZ ARG A 46 1.414 -5.295 -2.234 1.00 2.34 C ATOM 797 NH1 ARG A 46 0.830 -4.229 -2.763 1.00 51.42 N ATOM 798 NH2 ARG A 46 2.723 -5.463 -2.367 1.00 45.11 N ATOM 0 H ARG A 46 -3.747 -8.433 0.650 1.00 24.32 H new ATOM 0 HA ARG A 46 -3.250 -5.833 -0.134 1.00 24.14 H new ATOM 0 HB2 ARG A 46 -3.152 -8.531 -1.458 1.00 2.10 H new ATOM 0 HB3 ARG A 46 -2.926 -7.110 -2.457 1.00 2.10 H new ATOM 0 HG2 ARG A 46 -1.309 -7.570 0.066 1.00 40.00 H new ATOM 0 HG3 ARG A 46 -0.822 -8.228 -1.484 1.00 40.00 H new ATOM 0 HD2 ARG A 46 -1.213 -5.708 -2.295 1.00 62.23 H new ATOM 0 HD3 ARG A 46 -0.961 -5.356 -0.597 1.00 62.23 H new ATOM 0 HE ARG A 46 1.171 -7.001 -1.178 1.00 21.01 H new ATOM 0 HH11 ARG A 46 -0.176 -4.096 -2.663 1.00 51.42 H new ATOM 0 HH12 ARG A 46 1.387 -3.541 -3.270 1.00 51.42 H new ATOM 0 HH21 ARG A 46 3.176 -6.282 -1.961 1.00 45.11 H new ATOM 0 HH22 ARG A 46 3.277 -4.773 -2.875 1.00 45.11 H new ATOM 812 N ARG A 47 -5.654 -7.133 -2.008 1.00 70.21 N ATOM 813 CA ARG A 47 -6.821 -6.794 -2.813 1.00 74.20 C ATOM 814 C ARG A 47 -7.849 -6.028 -1.986 1.00 1.13 C ATOM 815 O ARG A 47 -8.445 -5.061 -2.458 1.00 40.02 O ATOM 816 CB ARG A 47 -7.456 -8.061 -3.388 1.00 61.02 C ATOM 817 CG ARG A 47 -7.605 -9.182 -2.373 1.00 34.24 C ATOM 818 CD ARG A 47 -8.411 -10.342 -2.938 1.00 64.15 C ATOM 819 NE ARG A 47 -7.816 -10.876 -4.161 1.00 55.23 N ATOM 820 CZ ARG A 47 -6.710 -11.610 -4.181 1.00 52.31 C ATOM 821 NH1 ARG A 47 -6.080 -11.897 -3.051 1.00 63.11 N ATOM 822 NH2 ARG A 47 -6.231 -12.060 -5.334 1.00 13.23 N ATOM 0 H ARG A 47 -5.409 -8.123 -2.016 1.00 70.21 H new ATOM 0 HA ARG A 47 -6.492 -6.156 -3.633 1.00 74.20 H new ATOM 0 HB2 ARG A 47 -8.438 -7.814 -3.791 1.00 61.02 H new ATOM 0 HB3 ARG A 47 -6.849 -8.415 -4.221 1.00 61.02 H new ATOM 0 HG2 ARG A 47 -6.619 -9.535 -2.072 1.00 34.24 H new ATOM 0 HG3 ARG A 47 -8.094 -8.800 -1.477 1.00 34.24 H new ATOM 0 HD2 ARG A 47 -8.479 -11.134 -2.192 1.00 64.15 H new ATOM 0 HD3 ARG A 47 -9.429 -10.010 -3.144 1.00 64.15 H new ATOM 0 HE ARG A 47 -8.276 -10.674 -5.049 1.00 55.23 H new ATOM 0 HH11 ARG A 47 -6.445 -11.554 -2.162 1.00 63.11 H new ATOM 0 HH12 ARG A 47 -5.230 -12.461 -3.070 1.00 63.11 H new ATOM 0 HH21 ARG A 47 -6.713 -11.842 -6.206 1.00 13.23 H new ATOM 0 HH22 ARG A 47 -5.381 -12.624 -5.348 1.00 13.23 H new ATOM 836 N MET A 48 -8.051 -6.469 -0.748 1.00 3.22 N ATOM 837 CA MET A 48 -9.007 -5.823 0.146 1.00 64.54 C ATOM 838 C MET A 48 -8.668 -4.348 0.329 1.00 0.41 C ATOM 839 O MET A 48 -9.535 -3.538 0.661 1.00 54.11 O ATOM 840 CB MET A 48 -9.022 -6.528 1.504 1.00 53.44 C ATOM 841 CG MET A 48 -10.014 -7.677 1.580 1.00 2.15 C ATOM 842 SD MET A 48 -11.728 -7.118 1.570 1.00 5.12 S ATOM 843 CE MET A 48 -12.228 -7.589 -0.084 1.00 10.52 C ATOM 0 H MET A 48 -7.567 -7.269 -0.341 1.00 3.22 H new ATOM 0 HA MET A 48 -9.997 -5.896 -0.305 1.00 64.54 H new ATOM 0 HB2 MET A 48 -8.023 -6.906 1.719 1.00 53.44 H new ATOM 0 HB3 MET A 48 -9.261 -5.800 2.280 1.00 53.44 H new ATOM 0 HG2 MET A 48 -9.850 -8.349 0.738 1.00 2.15 H new ATOM 0 HG3 MET A 48 -9.829 -8.252 2.487 1.00 2.15 H new ATOM 0 HE1 MET A 48 -13.277 -7.885 -0.076 1.00 10.52 H new ATOM 0 HE2 MET A 48 -12.095 -6.744 -0.759 1.00 10.52 H new ATOM 0 HE3 MET A 48 -11.617 -8.425 -0.425 1.00 10.52 H new ATOM 853 N LEU A 49 -7.404 -4.003 0.112 1.00 51.31 N ATOM 854 CA LEU A 49 -6.951 -2.624 0.253 1.00 4.44 C ATOM 855 C LEU A 49 -7.502 -1.752 -0.870 1.00 44.55 C ATOM 856 O LEU A 49 -7.612 -0.534 -0.730 1.00 51.40 O ATOM 857 CB LEU A 49 -5.423 -2.565 0.256 1.00 24.24 C ATOM 858 CG LEU A 49 -4.798 -1.370 0.979 1.00 72.21 C ATOM 859 CD1 LEU A 49 -3.370 -1.686 1.395 1.00 32.14 C ATOM 860 CD2 LEU A 49 -4.838 -0.133 0.094 1.00 43.13 C ATOM 0 H LEU A 49 -6.674 -4.660 -0.163 1.00 51.31 H new ATOM 0 HA LEU A 49 -7.325 -2.241 1.203 1.00 4.44 H new ATOM 0 HB2 LEU A 49 -5.045 -3.479 0.714 1.00 24.24 H new ATOM 0 HB3 LEU A 49 -5.078 -2.560 -0.778 1.00 24.24 H new ATOM 0 HG LEU A 49 -5.379 -1.167 1.879 1.00 72.21 H new ATOM 0 HD11 LEU A 49 -2.941 -0.825 1.908 1.00 32.14 H new ATOM 0 HD12 LEU A 49 -3.368 -2.545 2.065 1.00 32.14 H new ATOM 0 HD13 LEU A 49 -2.775 -1.915 0.510 1.00 32.14 H new ATOM 0 HD21 LEU A 49 -4.390 0.708 0.623 1.00 43.13 H new ATOM 0 HD22 LEU A 49 -4.280 -0.323 -0.823 1.00 43.13 H new ATOM 0 HD23 LEU A 49 -5.873 0.104 -0.153 1.00 43.13 H new ATOM 872 N LYS A 50 -7.849 -2.384 -1.987 1.00 2.31 N ATOM 873 CA LYS A 50 -8.392 -1.668 -3.135 1.00 42.33 C ATOM 874 C LYS A 50 -9.854 -1.296 -2.903 1.00 64.22 C ATOM 875 O LYS A 50 -10.566 -1.972 -2.161 1.00 64.33 O ATOM 876 CB LYS A 50 -8.267 -2.520 -4.400 1.00 65.31 C ATOM 877 CG LYS A 50 -6.919 -3.207 -4.539 1.00 3.03 C ATOM 878 CD LYS A 50 -6.886 -4.131 -5.744 1.00 41.03 C ATOM 879 CE LYS A 50 -5.480 -4.253 -6.314 1.00 54.42 C ATOM 880 NZ LYS A 50 -5.375 -5.368 -7.296 1.00 73.12 N ATOM 0 H LYS A 50 -7.763 -3.392 -2.121 1.00 2.31 H new ATOM 0 HA LYS A 50 -7.817 -0.751 -3.264 1.00 42.33 H new ATOM 0 HB2 LYS A 50 -9.052 -3.276 -4.398 1.00 65.31 H new ATOM 0 HB3 LYS A 50 -8.435 -1.888 -5.272 1.00 65.31 H new ATOM 0 HG2 LYS A 50 -6.135 -2.456 -4.634 1.00 3.03 H new ATOM 0 HG3 LYS A 50 -6.706 -3.778 -3.635 1.00 3.03 H new ATOM 0 HD2 LYS A 50 -7.251 -5.117 -5.458 1.00 41.03 H new ATOM 0 HD3 LYS A 50 -7.560 -3.753 -6.513 1.00 41.03 H new ATOM 0 HE2 LYS A 50 -5.201 -3.316 -6.797 1.00 54.42 H new ATOM 0 HE3 LYS A 50 -4.772 -4.416 -5.502 1.00 54.42 H new ATOM 0 HZ1 LYS A 50 -4.403 -5.418 -7.661 1.00 73.12 H new ATOM 0 HZ2 LYS A 50 -5.616 -6.265 -6.829 1.00 73.12 H new ATOM 0 HZ3 LYS A 50 -6.033 -5.200 -8.084 1.00 73.12 H new ATOM 894 N ARG A 51 -10.293 -0.219 -3.544 1.00 13.54 N ATOM 895 CA ARG A 51 -11.671 0.243 -3.407 1.00 60.34 C ATOM 896 C ARG A 51 -12.456 -0.005 -4.691 1.00 12.13 C ATOM 897 O ARG A 51 -13.337 0.775 -5.051 1.00 34.11 O ATOM 898 CB ARG A 51 -11.700 1.732 -3.058 1.00 20.23 C ATOM 899 CG ARG A 51 -11.429 2.018 -1.590 1.00 14.25 C ATOM 900 CD ARG A 51 -9.942 2.176 -1.317 1.00 74.21 C ATOM 901 NE ARG A 51 -9.448 3.488 -1.724 1.00 23.10 N ATOM 902 CZ ARG A 51 -9.674 4.604 -1.040 1.00 13.14 C ATOM 903 NH1 ARG A 51 -10.385 4.566 0.079 1.00 64.40 N ATOM 904 NH2 ARG A 51 -9.190 5.760 -1.475 1.00 12.15 N ATOM 0 H ARG A 51 -9.716 0.351 -4.163 1.00 13.54 H new ATOM 0 HA ARG A 51 -12.139 -0.321 -2.600 1.00 60.34 H new ATOM 0 HB2 ARG A 51 -10.959 2.253 -3.664 1.00 20.23 H new ATOM 0 HB3 ARG A 51 -12.675 2.140 -3.325 1.00 20.23 H new ATOM 0 HG2 ARG A 51 -11.953 2.927 -1.293 1.00 14.25 H new ATOM 0 HG3 ARG A 51 -11.827 1.207 -0.981 1.00 14.25 H new ATOM 0 HD2 ARG A 51 -9.751 2.031 -0.254 1.00 74.21 H new ATOM 0 HD3 ARG A 51 -9.391 1.400 -1.849 1.00 74.21 H new ATOM 0 HE ARG A 51 -8.899 3.551 -2.581 1.00 23.10 H new ATOM 0 HH11 ARG A 51 -10.759 3.679 0.416 1.00 64.40 H new ATOM 0 HH12 ARG A 51 -10.558 5.424 0.603 1.00 64.40 H new ATOM 0 HH21 ARG A 51 -8.644 5.793 -2.336 1.00 12.15 H new ATOM 0 HH22 ARG A 51 -9.364 6.616 -0.949 1.00 12.15 H new ATOM 918 N ALA A 52 -12.131 -1.095 -5.378 1.00 62.42 N ATOM 919 CA ALA A 52 -12.807 -1.446 -6.620 1.00 61.43 C ATOM 920 C ALA A 52 -12.479 -2.875 -7.039 1.00 31.21 C ATOM 921 O ALA A 52 -11.518 -3.113 -7.773 1.00 55.11 O ATOM 922 CB ALA A 52 -12.425 -0.470 -7.723 1.00 24.31 C ATOM 0 H ALA A 52 -11.403 -1.751 -5.095 1.00 62.42 H new ATOM 0 HA ALA A 52 -13.882 -1.383 -6.450 1.00 61.43 H new ATOM 0 HB1 ALA A 52 -12.937 -0.744 -8.645 1.00 24.31 H new ATOM 0 HB2 ALA A 52 -12.716 0.539 -7.433 1.00 24.31 H new ATOM 0 HB3 ALA A 52 -11.347 -0.505 -7.883 1.00 24.31 H new ATOM 928 N LEU A 53 -13.280 -3.825 -6.568 1.00 1.52 N ATOM 929 CA LEU A 53 -13.075 -5.232 -6.893 1.00 1.32 C ATOM 930 C LEU A 53 -14.408 -5.950 -7.071 1.00 12.44 C ATOM 931 O LEU A 53 -15.361 -5.707 -6.328 1.00 32.40 O ATOM 932 CB LEU A 53 -12.257 -5.914 -5.796 1.00 33.22 C ATOM 933 CG LEU A 53 -10.964 -6.595 -6.247 1.00 44.43 C ATOM 934 CD1 LEU A 53 -11.257 -7.660 -7.291 1.00 51.31 C ATOM 935 CD2 LEU A 53 -9.984 -5.566 -6.793 1.00 4.32 C ATOM 0 H LEU A 53 -14.078 -3.646 -5.959 1.00 1.52 H new ATOM 0 HA LEU A 53 -12.527 -5.286 -7.834 1.00 1.32 H new ATOM 0 HB2 LEU A 53 -12.007 -5.169 -5.041 1.00 33.22 H new ATOM 0 HB3 LEU A 53 -12.887 -6.660 -5.312 1.00 33.22 H new ATOM 0 HG LEU A 53 -10.510 -7.079 -5.383 1.00 44.43 H new ATOM 0 HD11 LEU A 53 -10.325 -8.133 -7.600 1.00 51.31 H new ATOM 0 HD12 LEU A 53 -11.923 -8.412 -6.867 1.00 51.31 H new ATOM 0 HD13 LEU A 53 -11.734 -7.200 -8.156 1.00 51.31 H new ATOM 0 HD21 LEU A 53 -9.069 -6.067 -7.110 1.00 4.32 H new ATOM 0 HD22 LEU A 53 -10.431 -5.054 -7.645 1.00 4.32 H new ATOM 0 HD23 LEU A 53 -9.749 -4.839 -6.016 1.00 4.32 H new ATOM 947 N LYS A 54 -14.470 -6.836 -8.058 1.00 34.12 N ATOM 948 CA LYS A 54 -15.686 -7.593 -8.332 1.00 50.02 C ATOM 949 C LYS A 54 -15.596 -8.999 -7.745 1.00 44.32 C ATOM 950 O LYS A 54 -16.236 -9.928 -8.234 1.00 43.12 O ATOM 951 CB LYS A 54 -15.931 -7.675 -9.841 1.00 54.30 C ATOM 952 CG LYS A 54 -16.014 -6.318 -10.518 1.00 11.51 C ATOM 953 CD LYS A 54 -17.448 -5.821 -10.600 1.00 2.10 C ATOM 954 CE LYS A 54 -18.205 -6.490 -11.736 1.00 60.45 C ATOM 955 NZ LYS A 54 -19.531 -5.853 -11.970 1.00 41.12 N ATOM 0 H LYS A 54 -13.692 -7.048 -8.682 1.00 34.12 H new ATOM 0 HA LYS A 54 -16.521 -7.074 -7.861 1.00 50.02 H new ATOM 0 HB2 LYS A 54 -15.128 -8.252 -10.300 1.00 54.30 H new ATOM 0 HB3 LYS A 54 -16.858 -8.219 -10.021 1.00 54.30 H new ATOM 0 HG2 LYS A 54 -15.410 -5.598 -9.966 1.00 11.51 H new ATOM 0 HG3 LYS A 54 -15.593 -6.385 -11.521 1.00 11.51 H new ATOM 0 HD2 LYS A 54 -17.957 -6.018 -9.656 1.00 2.10 H new ATOM 0 HD3 LYS A 54 -17.452 -4.741 -10.745 1.00 2.10 H new ATOM 0 HE2 LYS A 54 -17.611 -6.438 -12.648 1.00 60.45 H new ATOM 0 HE3 LYS A 54 -18.345 -7.546 -11.507 1.00 60.45 H new ATOM 0 HZ1 LYS A 54 -20.016 -6.338 -12.752 1.00 41.12 H new ATOM 0 HZ2 LYS A 54 -20.108 -5.925 -11.108 1.00 41.12 H new ATOM 0 HZ3 LYS A 54 -19.397 -4.851 -12.214 1.00 41.12 H new ATOM 969 N ASN A 55 -14.798 -9.144 -6.692 1.00 51.11 N ATOM 970 CA ASN A 55 -14.625 -10.436 -6.037 1.00 72.55 C ATOM 971 C ASN A 55 -14.242 -11.512 -7.050 1.00 13.42 C ATOM 972 O ASN A 55 -14.614 -12.677 -6.905 1.00 11.22 O ATOM 973 CB ASN A 55 -15.909 -10.839 -5.310 1.00 1.30 C ATOM 974 CG ASN A 55 -15.676 -11.935 -4.289 1.00 34.12 C ATOM 975 OD1 ASN A 55 -16.370 -12.952 -4.285 1.00 61.12 O ATOM 976 ND2 ASN A 55 -14.696 -11.732 -3.416 1.00 72.55 N ATOM 0 H ASN A 55 -14.261 -8.384 -6.274 1.00 51.11 H new ATOM 0 HA ASN A 55 -13.818 -10.342 -5.310 1.00 72.55 H new ATOM 0 HB2 ASN A 55 -16.330 -9.966 -4.812 1.00 1.30 H new ATOM 0 HB3 ASN A 55 -16.646 -11.176 -6.039 1.00 1.30 H new ATOM 0 HD21 ASN A 55 -14.493 -12.434 -2.705 1.00 72.55 H new ATOM 0 HD22 ASN A 55 -14.146 -10.874 -3.457 1.00 72.55 H new ATOM 983 N LYS A 56 -13.497 -11.114 -8.075 1.00 73.12 N ATOM 984 CA LYS A 56 -13.062 -12.043 -9.112 1.00 2.33 C ATOM 985 C LYS A 56 -12.182 -13.140 -8.523 1.00 62.43 C ATOM 986 O LYS A 56 -11.242 -12.862 -7.779 1.00 71.21 O ATOM 987 CB LYS A 56 -12.300 -11.295 -10.207 1.00 42.45 C ATOM 988 CG LYS A 56 -13.104 -11.096 -11.480 1.00 12.40 C ATOM 989 CD LYS A 56 -12.326 -10.296 -12.512 1.00 10.44 C ATOM 990 CE LYS A 56 -12.057 -8.879 -12.030 1.00 11.41 C ATOM 991 NZ LYS A 56 -11.554 -8.006 -13.128 1.00 22.02 N ATOM 0 H LYS A 56 -13.181 -10.154 -8.210 1.00 73.12 H new ATOM 0 HA LYS A 56 -13.948 -12.506 -9.547 1.00 2.33 H new ATOM 0 HB2 LYS A 56 -11.994 -10.321 -9.825 1.00 42.45 H new ATOM 0 HB3 LYS A 56 -11.389 -11.845 -10.445 1.00 42.45 H new ATOM 0 HG2 LYS A 56 -13.372 -12.067 -11.897 1.00 12.40 H new ATOM 0 HG3 LYS A 56 -14.036 -10.581 -11.246 1.00 12.40 H new ATOM 0 HD2 LYS A 56 -11.380 -10.795 -12.724 1.00 10.44 H new ATOM 0 HD3 LYS A 56 -12.886 -10.264 -13.447 1.00 10.44 H new ATOM 0 HE2 LYS A 56 -12.973 -8.455 -11.619 1.00 11.41 H new ATOM 0 HE3 LYS A 56 -11.327 -8.903 -11.221 1.00 11.41 H new ATOM 0 HZ1 LYS A 56 -11.383 -7.049 -12.760 1.00 22.02 H new ATOM 0 HZ2 LYS A 56 -10.666 -8.397 -13.503 1.00 22.02 H new ATOM 0 HZ3 LYS A 56 -12.262 -7.963 -13.889 1.00 22.02 H new ATOM 1005 N ASN A 57 -12.491 -14.388 -8.863 1.00 4.44 N ATOM 1006 CA ASN A 57 -11.726 -15.526 -8.369 1.00 35.14 C ATOM 1007 C ASN A 57 -11.442 -16.519 -9.492 1.00 62.21 C ATOM 1008 O ASN A 57 -12.266 -16.717 -10.384 1.00 50.32 O ATOM 1009 CB ASN A 57 -12.485 -16.223 -7.237 1.00 21.23 C ATOM 1010 CG ASN A 57 -12.383 -15.471 -5.924 1.00 61.34 C ATOM 1011 OD1 ASN A 57 -13.382 -14.987 -5.394 1.00 32.24 O ATOM 1012 ND2 ASN A 57 -11.170 -15.371 -5.393 1.00 62.11 N ATOM 0 H ASN A 57 -13.266 -14.636 -9.478 1.00 4.44 H new ATOM 0 HA ASN A 57 -10.775 -15.155 -7.987 1.00 35.14 H new ATOM 0 HB2 ASN A 57 -13.534 -16.323 -7.515 1.00 21.23 H new ATOM 0 HB3 ASN A 57 -12.092 -17.231 -7.107 1.00 21.23 H new ATOM 0 HD21 ASN A 57 -11.039 -14.877 -4.510 1.00 62.11 H new ATOM 0 HD22 ASN A 57 -10.369 -15.788 -5.868 1.00 62.11 H new ATOM 1019 N LYS A 58 -10.269 -17.141 -9.441 1.00 32.52 N ATOM 1020 CA LYS A 58 -9.875 -18.116 -10.452 1.00 5.53 C ATOM 1021 C LYS A 58 -9.997 -17.526 -11.852 1.00 51.44 C ATOM 1022 O LYS A 58 -10.490 -18.180 -12.771 1.00 31.03 O ATOM 1023 CB LYS A 58 -10.737 -19.376 -10.340 1.00 2.41 C ATOM 1024 CG LYS A 58 -10.852 -19.910 -8.923 1.00 11.05 C ATOM 1025 CD LYS A 58 -9.519 -20.433 -8.415 1.00 31.44 C ATOM 1026 CE LYS A 58 -9.601 -20.841 -6.951 1.00 14.31 C ATOM 1027 NZ LYS A 58 -9.902 -19.681 -6.069 1.00 14.44 N ATOM 0 H LYS A 58 -9.574 -16.987 -8.710 1.00 32.52 H new ATOM 0 HA LYS A 58 -8.832 -18.381 -10.278 1.00 5.53 H new ATOM 0 HB2 LYS A 58 -11.735 -19.158 -10.719 1.00 2.41 H new ATOM 0 HB3 LYS A 58 -10.316 -20.152 -10.979 1.00 2.41 H new ATOM 0 HG2 LYS A 58 -11.209 -19.119 -8.263 1.00 11.05 H new ATOM 0 HG3 LYS A 58 -11.593 -20.709 -8.893 1.00 11.05 H new ATOM 0 HD2 LYS A 58 -9.210 -21.289 -9.015 1.00 31.44 H new ATOM 0 HD3 LYS A 58 -8.755 -19.665 -8.538 1.00 31.44 H new ATOM 0 HE2 LYS A 58 -10.373 -21.601 -6.828 1.00 14.31 H new ATOM 0 HE3 LYS A 58 -8.657 -21.294 -6.647 1.00 14.31 H new ATOM 0 HZ1 LYS A 58 -9.686 -19.930 -5.083 1.00 14.44 H new ATOM 0 HZ2 LYS A 58 -9.322 -18.867 -6.356 1.00 14.44 H new ATOM 0 HZ3 LYS A 58 -10.909 -19.435 -6.151 1.00 14.44 H new ATOM 1041 N ALA A 59 -9.545 -16.286 -12.009 1.00 62.23 N ATOM 1042 CA ALA A 59 -9.601 -15.611 -13.299 1.00 45.50 C ATOM 1043 C ALA A 59 -8.248 -15.656 -14.002 1.00 41.15 C ATOM 1044 O ALA A 59 -7.202 -15.540 -13.364 1.00 10.22 O ATOM 1045 CB ALA A 59 -10.056 -14.170 -13.121 1.00 3.52 C ATOM 0 H ALA A 59 -9.136 -15.729 -11.259 1.00 62.23 H new ATOM 0 HA ALA A 59 -10.324 -16.135 -13.924 1.00 45.50 H new ATOM 0 HB1 ALA A 59 -10.093 -13.678 -14.093 1.00 3.52 H new ATOM 0 HB2 ALA A 59 -11.047 -14.155 -12.668 1.00 3.52 H new ATOM 0 HB3 ALA A 59 -9.354 -13.644 -12.474 1.00 3.52 H new ATOM 1051 N GLU A 60 -8.276 -15.826 -15.320 1.00 51.13 N ATOM 1052 CA GLU A 60 -7.051 -15.888 -16.109 1.00 72.42 C ATOM 1053 C GLU A 60 -6.618 -14.494 -16.553 1.00 54.01 C ATOM 1054 O GLU A 60 -5.506 -14.307 -17.047 1.00 13.45 O ATOM 1055 CB GLU A 60 -7.250 -16.786 -17.331 1.00 74.12 C ATOM 1056 CG GLU A 60 -7.406 -18.258 -16.986 1.00 74.33 C ATOM 1057 CD GLU A 60 -6.107 -18.891 -16.529 1.00 65.04 C ATOM 1058 OE1 GLU A 60 -5.036 -18.463 -17.011 1.00 55.41 O ATOM 1059 OE2 GLU A 60 -6.158 -19.815 -15.692 1.00 11.25 O ATOM 0 H GLU A 60 -9.133 -15.923 -15.864 1.00 51.13 H new ATOM 0 HA GLU A 60 -6.266 -16.310 -15.481 1.00 72.42 H new ATOM 0 HB2 GLU A 60 -8.134 -16.454 -17.876 1.00 74.12 H new ATOM 0 HB3 GLU A 60 -6.399 -16.667 -18.001 1.00 74.12 H new ATOM 0 HG2 GLU A 60 -8.154 -18.366 -16.201 1.00 74.33 H new ATOM 0 HG3 GLU A 60 -7.780 -18.794 -17.858 1.00 74.33 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.179 13.011 -4.667 1.00 14.15 ZN