USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=11 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= -0.0144 X(o=-0.014,f=-0.0039) 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=-0.00928 (180deg=-0.544) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= -0.837 (180deg=-3.81!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.628 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -160:sc= -2.59 USER MOD Single : A 32 LYS NZ :NH3+ -130:sc= -0.0537 (180deg=-1.07) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -52:sc= -0.26 USER MOD Single : A 44 LYS NZ :NH3+ -143:sc= -0.153 (180deg=-1.23) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.898 K(o=0.9,f=-3.8!) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0133 (180deg=-0.16) USER MOD Single : A 57 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.76) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 25.281 3.017 -1.308 1.00 51.41 N ATOM 2 CA GLY A -2 25.505 1.635 -1.687 1.00 32.15 C ATOM 3 C GLY A -2 24.434 1.107 -2.622 1.00 23.43 C ATOM 4 O GLY A -2 24.209 1.667 -3.695 1.00 10.44 O ATOM 0 H1 GLY A -2 26.040 3.329 -0.669 1.00 51.41 H new ATOM 0 H2 GLY A -2 25.277 3.614 -2.159 1.00 51.41 H new ATOM 0 H3 GLY A -2 24.365 3.100 -0.823 1.00 51.41 H new ATOM 0 HA2 GLY A -2 26.479 1.547 -2.169 1.00 32.15 H new ATOM 0 HA3 GLY A -2 25.537 1.016 -0.790 1.00 32.15 H new ATOM 8 N SER A -1 23.776 0.027 -2.215 1.00 72.12 N ATOM 9 CA SER A -1 22.726 -0.579 -3.028 1.00 25.34 C ATOM 10 C SER A -1 21.546 0.373 -3.188 1.00 53.55 C ATOM 11 O SER A -1 21.053 0.940 -2.212 1.00 62.04 O ATOM 12 CB SER A -1 22.257 -1.891 -2.396 1.00 65.42 C ATOM 13 OG SER A -1 23.347 -2.766 -2.168 1.00 21.44 O ATOM 0 H SER A -1 23.950 -0.447 -1.329 1.00 72.12 H new ATOM 0 HA SER A -1 23.138 -0.787 -4.015 1.00 25.34 H new ATOM 0 HB2 SER A -1 21.750 -1.683 -1.454 1.00 65.42 H new ATOM 0 HB3 SER A -1 21.530 -2.373 -3.049 1.00 65.42 H new ATOM 0 HG SER A -1 23.021 -3.596 -1.762 1.00 21.44 H new ATOM 19 N HIS A 0 21.095 0.545 -4.427 1.00 20.35 N ATOM 20 CA HIS A 0 19.971 1.427 -4.717 1.00 21.42 C ATOM 21 C HIS A 0 18.653 0.659 -4.678 1.00 62.33 C ATOM 22 O HIS A 0 17.789 0.931 -3.846 1.00 24.35 O ATOM 23 CB HIS A 0 20.152 2.085 -6.085 1.00 13.10 C ATOM 24 CG HIS A 0 21.290 3.058 -6.136 1.00 55.11 C ATOM 25 ND1 HIS A 0 22.142 3.163 -7.216 1.00 1.11 N ATOM 26 CD2 HIS A 0 21.714 3.973 -5.234 1.00 53.43 C ATOM 27 CE1 HIS A 0 23.041 4.100 -6.974 1.00 1.21 C ATOM 28 NE2 HIS A 0 22.803 4.608 -5.778 1.00 21.52 N ATOM 0 H HIS A 0 21.491 0.085 -5.246 1.00 20.35 H new ATOM 0 HA HIS A 0 19.942 2.202 -3.951 1.00 21.42 H new ATOM 0 HB2 HIS A 0 20.314 1.309 -6.833 1.00 13.10 H new ATOM 0 HB3 HIS A 0 19.231 2.601 -6.355 1.00 13.10 H new ATOM 0 HD2 HIS A 0 21.277 4.168 -4.266 1.00 53.43 H new ATOM 0 HE1 HIS A 0 23.836 4.400 -7.641 1.00 1.21 H new ATOM 0 HE2 HIS A 0 23.341 5.351 -5.331 1.00 21.52 H new ATOM 36 N MET A 1 18.507 -0.300 -5.587 1.00 53.30 N ATOM 37 CA MET A 1 17.294 -1.107 -5.656 1.00 3.14 C ATOM 38 C MET A 1 17.083 -1.883 -4.359 1.00 54.53 C ATOM 39 O MET A 1 17.840 -2.800 -4.042 1.00 71.42 O ATOM 40 CB MET A 1 17.367 -2.076 -6.838 1.00 25.12 C ATOM 41 CG MET A 1 16.005 -2.472 -7.384 1.00 44.52 C ATOM 42 SD MET A 1 16.119 -3.422 -8.912 1.00 13.33 S ATOM 43 CE MET A 1 14.994 -2.509 -9.964 1.00 15.04 C ATOM 0 H MET A 1 19.212 -0.537 -6.285 1.00 53.30 H new ATOM 0 HA MET A 1 16.448 -0.435 -5.798 1.00 3.14 H new ATOM 0 HB2 MET A 1 17.951 -1.618 -7.637 1.00 25.12 H new ATOM 0 HB3 MET A 1 17.900 -2.975 -6.528 1.00 25.12 H new ATOM 0 HG2 MET A 1 15.474 -3.059 -6.635 1.00 44.52 H new ATOM 0 HG3 MET A 1 15.414 -1.574 -7.562 1.00 44.52 H new ATOM 0 HE1 MET A 1 14.956 -2.976 -10.948 1.00 15.04 H new ATOM 0 HE2 MET A 1 13.998 -2.513 -9.522 1.00 15.04 H new ATOM 0 HE3 MET A 1 15.342 -1.481 -10.063 1.00 15.04 H new ATOM 53 N VAL A 2 16.049 -1.508 -3.613 1.00 15.44 N ATOM 54 CA VAL A 2 15.737 -2.170 -2.351 1.00 21.33 C ATOM 55 C VAL A 2 14.246 -2.466 -2.239 1.00 21.42 C ATOM 56 O VAL A 2 13.445 -1.980 -3.038 1.00 24.43 O ATOM 57 CB VAL A 2 16.171 -1.314 -1.147 1.00 40.12 C ATOM 58 CG1 VAL A 2 17.686 -1.312 -1.010 1.00 75.34 C ATOM 59 CG2 VAL A 2 15.637 0.104 -1.282 1.00 62.31 C ATOM 0 H VAL A 2 15.413 -0.750 -3.860 1.00 15.44 H new ATOM 0 HA VAL A 2 16.292 -3.108 -2.340 1.00 21.33 H new ATOM 0 HB VAL A 2 15.750 -1.752 -0.242 1.00 40.12 H new ATOM 0 HG11 VAL A 2 17.973 -0.702 -0.154 1.00 75.34 H new ATOM 0 HG12 VAL A 2 18.039 -2.333 -0.863 1.00 75.34 H new ATOM 0 HG13 VAL A 2 18.133 -0.900 -1.915 1.00 75.34 H new ATOM 0 HG21 VAL A 2 15.953 0.695 -0.423 1.00 62.31 H new ATOM 0 HG22 VAL A 2 16.027 0.554 -2.195 1.00 62.31 H new ATOM 0 HG23 VAL A 2 14.548 0.080 -1.325 1.00 62.31 H new ATOM 69 N GLU A 3 13.881 -3.267 -1.243 1.00 51.51 N ATOM 70 CA GLU A 3 12.485 -3.629 -1.027 1.00 51.34 C ATOM 71 C GLU A 3 12.110 -3.499 0.446 1.00 23.21 C ATOM 72 O GLU A 3 12.945 -3.695 1.328 1.00 24.45 O ATOM 73 CB GLU A 3 12.225 -5.058 -1.507 1.00 13.11 C ATOM 74 CG GLU A 3 12.037 -5.171 -3.010 1.00 75.21 C ATOM 75 CD GLU A 3 13.346 -5.372 -3.749 1.00 11.21 C ATOM 76 OE1 GLU A 3 14.412 -5.250 -3.109 1.00 41.34 O ATOM 77 OE2 GLU A 3 13.306 -5.652 -4.965 1.00 52.53 O ATOM 0 H GLU A 3 14.532 -3.677 -0.573 1.00 51.51 H new ATOM 0 HA GLU A 3 11.865 -2.942 -1.603 1.00 51.34 H new ATOM 0 HB2 GLU A 3 13.059 -5.691 -1.205 1.00 13.11 H new ATOM 0 HB3 GLU A 3 11.336 -5.444 -1.008 1.00 13.11 H new ATOM 0 HG2 GLU A 3 11.370 -6.005 -3.227 1.00 75.21 H new ATOM 0 HG3 GLU A 3 11.550 -4.269 -3.380 1.00 75.21 H new ATOM 84 N MET A 4 10.849 -3.167 0.704 1.00 72.24 N ATOM 85 CA MET A 4 10.364 -3.012 2.070 1.00 41.12 C ATOM 86 C MET A 4 8.840 -3.031 2.111 1.00 12.35 C ATOM 87 O MET A 4 8.180 -2.892 1.081 1.00 42.12 O ATOM 88 CB MET A 4 10.886 -1.706 2.674 1.00 60.34 C ATOM 89 CG MET A 4 11.022 -1.749 4.188 1.00 62.41 C ATOM 90 SD MET A 4 12.226 -0.560 4.810 1.00 71.04 S ATOM 91 CE MET A 4 13.590 -1.644 5.223 1.00 32.43 C ATOM 0 H MET A 4 10.145 -3.000 -0.015 1.00 72.24 H new ATOM 0 HA MET A 4 10.736 -3.851 2.659 1.00 41.12 H new ATOM 0 HB2 MET A 4 11.857 -1.475 2.236 1.00 60.34 H new ATOM 0 HB3 MET A 4 10.212 -0.894 2.401 1.00 60.34 H new ATOM 0 HG2 MET A 4 10.051 -1.549 4.642 1.00 62.41 H new ATOM 0 HG3 MET A 4 11.317 -2.753 4.494 1.00 62.41 H new ATOM 0 HE1 MET A 4 14.415 -1.054 5.622 1.00 32.43 H new ATOM 0 HE2 MET A 4 13.266 -2.368 5.971 1.00 32.43 H new ATOM 0 HE3 MET A 4 13.920 -2.171 4.328 1.00 32.43 H new ATOM 101 N ARG A 5 8.286 -3.204 3.307 1.00 75.43 N ATOM 102 CA ARG A 5 6.839 -3.243 3.480 1.00 31.05 C ATOM 103 C ARG A 5 6.231 -1.857 3.289 1.00 23.34 C ATOM 104 O ARG A 5 5.012 -1.708 3.211 1.00 13.12 O ATOM 105 CB ARG A 5 6.486 -3.780 4.868 1.00 1.45 C ATOM 106 CG ARG A 5 7.135 -3.007 6.005 1.00 22.11 C ATOM 107 CD ARG A 5 6.134 -2.106 6.710 1.00 4.23 C ATOM 108 NE ARG A 5 5.006 -2.860 7.251 1.00 54.34 N ATOM 109 CZ ARG A 5 5.046 -3.520 8.403 1.00 74.23 C ATOM 110 NH1 ARG A 5 6.153 -3.518 9.132 1.00 13.35 N ATOM 111 NH2 ARG A 5 3.977 -4.183 8.826 1.00 24.14 N ATOM 0 H ARG A 5 8.817 -3.319 4.170 1.00 75.43 H new ATOM 0 HA ARG A 5 6.425 -3.909 2.723 1.00 31.05 H new ATOM 0 HB2 ARG A 5 5.404 -3.754 4.994 1.00 1.45 H new ATOM 0 HB3 ARG A 5 6.789 -4.825 4.931 1.00 1.45 H new ATOM 0 HG2 ARG A 5 7.565 -3.706 6.722 1.00 22.11 H new ATOM 0 HG3 ARG A 5 7.956 -2.405 5.615 1.00 22.11 H new ATOM 0 HD2 ARG A 5 6.634 -1.571 7.518 1.00 4.23 H new ATOM 0 HD3 ARG A 5 5.766 -1.355 6.010 1.00 4.23 H new ATOM 0 HE ARG A 5 4.139 -2.881 6.714 1.00 54.34 H new ATOM 0 HH11 ARG A 5 6.976 -3.009 8.809 1.00 13.35 H new ATOM 0 HH12 ARG A 5 6.182 -4.025 10.016 1.00 13.35 H new ATOM 0 HH21 ARG A 5 3.124 -4.186 8.266 1.00 24.14 H new ATOM 0 HH22 ARG A 5 4.008 -4.690 9.711 1.00 24.14 H new ATOM 125 N MET A 6 7.090 -0.845 3.215 1.00 74.10 N ATOM 126 CA MET A 6 6.637 0.529 3.032 1.00 74.22 C ATOM 127 C MET A 6 6.087 0.738 1.624 1.00 32.24 C ATOM 128 O MET A 6 5.917 -0.217 0.866 1.00 71.34 O ATOM 129 CB MET A 6 7.785 1.506 3.294 1.00 14.20 C ATOM 130 CG MET A 6 8.785 1.588 2.152 1.00 11.41 C ATOM 131 SD MET A 6 10.470 1.878 2.725 1.00 15.10 S ATOM 132 CE MET A 6 10.210 3.223 3.877 1.00 13.14 C ATOM 0 H MET A 6 8.102 -0.951 3.279 1.00 74.10 H new ATOM 0 HA MET A 6 5.837 0.719 3.747 1.00 74.22 H new ATOM 0 HB2 MET A 6 7.372 2.498 3.477 1.00 14.20 H new ATOM 0 HB3 MET A 6 8.307 1.205 4.202 1.00 14.20 H new ATOM 0 HG2 MET A 6 8.754 0.661 1.580 1.00 11.41 H new ATOM 0 HG3 MET A 6 8.492 2.390 1.475 1.00 11.41 H new ATOM 0 HE1 MET A 6 11.144 3.768 4.017 1.00 13.14 H new ATOM 0 HE2 MET A 6 9.451 3.898 3.482 1.00 13.14 H new ATOM 0 HE3 MET A 6 9.877 2.823 4.835 1.00 13.14 H new ATOM 142 N LYS A 7 5.810 1.991 1.281 1.00 3.00 N ATOM 143 CA LYS A 7 5.281 2.325 -0.036 1.00 3.14 C ATOM 144 C LYS A 7 6.014 3.526 -0.628 1.00 34.31 C ATOM 145 O LYS A 7 6.902 4.097 0.004 1.00 30.31 O ATOM 146 CB LYS A 7 3.783 2.624 0.056 1.00 52.05 C ATOM 147 CG LYS A 7 3.415 3.548 1.204 1.00 73.52 C ATOM 148 CD LYS A 7 2.070 3.179 1.808 1.00 71.54 C ATOM 149 CE LYS A 7 0.945 3.330 0.795 1.00 55.11 C ATOM 150 NZ LYS A 7 -0.357 2.851 1.336 1.00 35.14 N ATOM 0 H LYS A 7 5.943 2.793 1.897 1.00 3.00 H new ATOM 0 HA LYS A 7 5.436 1.468 -0.691 1.00 3.14 H new ATOM 0 HB2 LYS A 7 3.453 3.073 -0.881 1.00 52.05 H new ATOM 0 HB3 LYS A 7 3.240 1.685 0.168 1.00 52.05 H new ATOM 0 HG2 LYS A 7 4.186 3.499 1.973 1.00 73.52 H new ATOM 0 HG3 LYS A 7 3.385 4.578 0.848 1.00 73.52 H new ATOM 0 HD2 LYS A 7 2.101 2.151 2.168 1.00 71.54 H new ATOM 0 HD3 LYS A 7 1.871 3.813 2.672 1.00 71.54 H new ATOM 0 HE2 LYS A 7 0.855 4.377 0.506 1.00 55.11 H new ATOM 0 HE3 LYS A 7 1.191 2.770 -0.107 1.00 55.11 H new ATOM 0 HZ1 LYS A 7 -0.813 2.226 0.641 1.00 35.14 H new ATOM 0 HZ2 LYS A 7 -0.194 2.326 2.219 1.00 35.14 H new ATOM 0 HZ3 LYS A 7 -0.975 3.666 1.527 1.00 35.14 H new ATOM 164 N LYS A 8 5.635 3.902 -1.844 1.00 53.10 N ATOM 165 CA LYS A 8 6.253 5.035 -2.521 1.00 62.15 C ATOM 166 C LYS A 8 5.227 5.799 -3.353 1.00 72.45 C ATOM 167 O LYS A 8 4.277 5.213 -3.874 1.00 72.23 O ATOM 168 CB LYS A 8 7.398 4.558 -3.418 1.00 52.14 C ATOM 169 CG LYS A 8 8.204 5.689 -4.032 1.00 5.35 C ATOM 170 CD LYS A 8 9.167 5.179 -5.089 1.00 40.02 C ATOM 171 CE LYS A 8 8.447 4.857 -6.390 1.00 13.41 C ATOM 172 NZ LYS A 8 9.226 3.911 -7.236 1.00 41.22 N ATOM 0 H LYS A 8 4.902 3.438 -2.381 1.00 53.10 H new ATOM 0 HA LYS A 8 6.651 5.707 -1.760 1.00 62.15 H new ATOM 0 HB2 LYS A 8 8.065 3.924 -2.834 1.00 52.14 H new ATOM 0 HB3 LYS A 8 6.989 3.940 -4.217 1.00 52.14 H new ATOM 0 HG2 LYS A 8 7.528 6.419 -4.477 1.00 5.35 H new ATOM 0 HG3 LYS A 8 8.761 6.206 -3.250 1.00 5.35 H new ATOM 0 HD2 LYS A 8 9.937 5.929 -5.274 1.00 40.02 H new ATOM 0 HD3 LYS A 8 9.673 4.286 -4.721 1.00 40.02 H new ATOM 0 HE2 LYS A 8 7.471 4.426 -6.168 1.00 13.41 H new ATOM 0 HE3 LYS A 8 8.270 5.778 -6.945 1.00 13.41 H new ATOM 0 HZ1 LYS A 8 8.702 3.717 -8.113 1.00 41.22 H new ATOM 0 HZ2 LYS A 8 10.148 4.332 -7.470 1.00 41.22 H new ATOM 0 HZ3 LYS A 8 9.374 3.022 -6.717 1.00 41.22 H new ATOM 186 N CYS A 9 5.425 7.106 -3.474 1.00 51.23 N ATOM 187 CA CYS A 9 4.516 7.949 -4.243 1.00 63.31 C ATOM 188 C CYS A 9 4.683 7.704 -5.739 1.00 72.31 C ATOM 189 O CYS A 9 5.741 7.949 -6.320 1.00 25.25 O ATOM 190 CB CYS A 9 4.764 9.425 -3.925 1.00 60.43 C ATOM 191 SG CYS A 9 3.586 10.556 -4.702 1.00 34.41 S ATOM 0 H CYS A 9 6.207 7.606 -3.050 1.00 51.23 H new ATOM 0 HA CYS A 9 3.495 7.691 -3.962 1.00 63.31 H new ATOM 0 HB2 CYS A 9 4.726 9.564 -2.845 1.00 60.43 H new ATOM 0 HB3 CYS A 9 5.771 9.690 -4.245 1.00 60.43 H new ATOM 196 N PRO A 10 3.615 7.208 -6.380 1.00 74.05 N ATOM 197 CA PRO A 10 3.618 6.917 -7.817 1.00 1.00 C ATOM 198 C PRO A 10 3.660 8.184 -8.665 1.00 31.03 C ATOM 199 O PRO A 10 3.776 8.121 -9.889 1.00 52.33 O ATOM 200 CB PRO A 10 2.297 6.174 -8.032 1.00 2.21 C ATOM 201 CG PRO A 10 1.415 6.642 -6.925 1.00 71.24 C ATOM 202 CD PRO A 10 2.321 6.892 -5.751 1.00 54.04 C ATOM 0 HA PRO A 10 4.497 6.346 -8.115 1.00 1.00 H new ATOM 0 HB2 PRO A 10 1.866 6.406 -9.006 1.00 2.21 H new ATOM 0 HB3 PRO A 10 2.440 5.094 -7.995 1.00 2.21 H new ATOM 0 HG2 PRO A 10 0.883 7.550 -7.208 1.00 71.24 H new ATOM 0 HG3 PRO A 10 0.661 5.893 -6.683 1.00 71.24 H new ATOM 0 HD2 PRO A 10 1.962 7.716 -5.135 1.00 54.04 H new ATOM 0 HD3 PRO A 10 2.391 6.017 -5.104 1.00 54.04 H new ATOM 210 N LYS A 11 3.567 9.335 -8.006 1.00 15.30 N ATOM 211 CA LYS A 11 3.595 10.617 -8.698 1.00 61.14 C ATOM 212 C LYS A 11 5.004 11.205 -8.696 1.00 54.45 C ATOM 213 O LYS A 11 5.476 11.710 -9.715 1.00 63.04 O ATOM 214 CB LYS A 11 2.622 11.598 -8.039 1.00 73.24 C ATOM 215 CG LYS A 11 1.384 11.877 -8.874 1.00 44.22 C ATOM 216 CD LYS A 11 0.580 10.613 -9.122 1.00 72.51 C ATOM 217 CE LYS A 11 -0.849 10.932 -9.533 1.00 53.42 C ATOM 218 NZ LYS A 11 -1.764 9.781 -9.298 1.00 75.41 N ATOM 0 H LYS A 11 3.472 9.405 -6.993 1.00 15.30 H new ATOM 0 HA LYS A 11 3.290 10.451 -9.731 1.00 61.14 H new ATOM 0 HB2 LYS A 11 2.316 11.199 -7.072 1.00 73.24 H new ATOM 0 HB3 LYS A 11 3.140 12.537 -7.847 1.00 73.24 H new ATOM 0 HG2 LYS A 11 0.760 12.612 -8.366 1.00 44.22 H new ATOM 0 HG3 LYS A 11 1.679 12.314 -9.828 1.00 44.22 H new ATOM 0 HD2 LYS A 11 1.061 10.022 -9.902 1.00 72.51 H new ATOM 0 HD3 LYS A 11 0.572 10.003 -8.219 1.00 72.51 H new ATOM 0 HE2 LYS A 11 -1.203 11.798 -8.973 1.00 53.42 H new ATOM 0 HE3 LYS A 11 -0.871 11.204 -10.588 1.00 53.42 H new ATOM 0 HZ1 LYS A 11 -2.728 10.039 -9.591 1.00 75.41 H new ATOM 0 HZ2 LYS A 11 -1.441 8.962 -9.852 1.00 75.41 H new ATOM 0 HZ3 LYS A 11 -1.763 9.537 -8.287 1.00 75.41 H new ATOM 232 N CYS A 12 5.668 11.133 -7.548 1.00 51.15 N ATOM 233 CA CYS A 12 7.022 11.657 -7.415 1.00 41.22 C ATOM 234 C CYS A 12 8.034 10.524 -7.294 1.00 35.45 C ATOM 235 O CYS A 12 8.970 10.425 -8.086 1.00 74.22 O ATOM 236 CB CYS A 12 7.118 12.575 -6.195 1.00 64.23 C ATOM 237 SG CYS A 12 5.728 13.718 -6.020 1.00 71.43 S ATOM 0 H CYS A 12 5.291 10.717 -6.696 1.00 51.15 H new ATOM 0 HA CYS A 12 7.253 12.231 -8.312 1.00 41.22 H new ATOM 0 HB2 CYS A 12 7.185 11.962 -5.297 1.00 64.23 H new ATOM 0 HB3 CYS A 12 8.042 13.150 -6.258 1.00 64.23 H new ATOM 242 N GLY A 13 7.842 9.669 -6.294 1.00 15.44 N ATOM 243 CA GLY A 13 8.746 8.553 -6.086 1.00 43.11 C ATOM 244 C GLY A 13 9.386 8.574 -4.712 1.00 34.24 C ATOM 245 O GLY A 13 10.469 8.021 -4.514 1.00 2.33 O ATOM 0 H GLY A 13 7.076 9.730 -5.624 1.00 15.44 H new ATOM 0 HA2 GLY A 13 8.200 7.618 -6.215 1.00 43.11 H new ATOM 0 HA3 GLY A 13 9.526 8.574 -6.847 1.00 43.11 H new ATOM 249 N LEU A 14 8.717 9.213 -3.759 1.00 44.54 N ATOM 250 CA LEU A 14 9.227 9.306 -2.396 1.00 12.22 C ATOM 251 C LEU A 14 8.743 8.130 -1.553 1.00 14.45 C ATOM 252 O LEU A 14 7.558 7.795 -1.558 1.00 4.41 O ATOM 253 CB LEU A 14 8.787 10.622 -1.754 1.00 4.01 C ATOM 254 CG LEU A 14 8.740 10.642 -0.226 1.00 11.14 C ATOM 255 CD1 LEU A 14 10.124 10.397 0.354 1.00 31.14 C ATOM 256 CD2 LEU A 14 8.178 11.964 0.274 1.00 2.31 C ATOM 0 H LEU A 14 7.819 9.675 -3.905 1.00 44.54 H new ATOM 0 HA LEU A 14 10.316 9.276 -2.439 1.00 12.22 H new ATOM 0 HB2 LEU A 14 9.464 11.409 -2.087 1.00 4.01 H new ATOM 0 HB3 LEU A 14 7.796 10.873 -2.131 1.00 4.01 H new ATOM 0 HG LEU A 14 8.081 9.841 0.108 1.00 11.14 H new ATOM 0 HD11 LEU A 14 10.071 10.415 1.443 1.00 31.14 H new ATOM 0 HD12 LEU A 14 10.490 9.424 0.024 1.00 31.14 H new ATOM 0 HD13 LEU A 14 10.805 11.176 0.011 1.00 31.14 H new ATOM 0 HD21 LEU A 14 8.152 11.960 1.364 1.00 2.31 H new ATOM 0 HD22 LEU A 14 8.811 12.782 -0.071 1.00 2.31 H new ATOM 0 HD23 LEU A 14 7.168 12.099 -0.112 1.00 2.31 H new ATOM 268 N TYR A 15 9.667 7.509 -0.828 1.00 75.10 N ATOM 269 CA TYR A 15 9.335 6.370 0.020 1.00 12.22 C ATOM 270 C TYR A 15 8.835 6.835 1.385 1.00 32.11 C ATOM 271 O TYR A 15 9.303 7.838 1.923 1.00 64.42 O ATOM 272 CB TYR A 15 10.555 5.463 0.193 1.00 2.52 C ATOM 273 CG TYR A 15 10.759 4.499 -0.953 1.00 23.11 C ATOM 274 CD1 TYR A 15 10.173 3.239 -0.941 1.00 63.53 C ATOM 275 CD2 TYR A 15 11.539 4.849 -2.049 1.00 14.11 C ATOM 276 CE1 TYR A 15 10.359 2.356 -1.985 1.00 54.04 C ATOM 277 CE2 TYR A 15 11.729 3.970 -3.099 1.00 43.33 C ATOM 278 CZ TYR A 15 11.137 2.726 -3.063 1.00 51.11 C ATOM 279 OH TYR A 15 11.323 1.848 -4.106 1.00 65.32 O ATOM 0 H TYR A 15 10.652 7.775 -0.811 1.00 75.10 H new ATOM 0 HA TYR A 15 8.538 5.807 -0.466 1.00 12.22 H new ATOM 0 HB2 TYR A 15 11.446 6.082 0.299 1.00 2.52 H new ATOM 0 HB3 TYR A 15 10.448 4.897 1.118 1.00 2.52 H new ATOM 0 HD1 TYR A 15 9.562 2.946 -0.100 1.00 63.53 H new ATOM 0 HD2 TYR A 15 12.004 5.823 -2.081 1.00 14.11 H new ATOM 0 HE1 TYR A 15 9.898 1.380 -1.959 1.00 54.04 H new ATOM 0 HE2 TYR A 15 12.338 4.257 -3.943 1.00 43.33 H new ATOM 0 HH TYR A 15 11.895 2.263 -4.785 1.00 65.32 H new ATOM 289 N THR A 16 7.879 6.097 1.940 1.00 24.45 N ATOM 290 CA THR A 16 7.314 6.432 3.242 1.00 13.11 C ATOM 291 C THR A 16 6.322 5.369 3.700 1.00 60.11 C ATOM 292 O THR A 16 5.992 4.448 2.951 1.00 63.43 O ATOM 293 CB THR A 16 6.607 7.799 3.212 1.00 72.34 C ATOM 294 OG1 THR A 16 6.177 8.157 4.530 1.00 51.12 O ATOM 295 CG2 THR A 16 5.410 7.769 2.273 1.00 1.23 C ATOM 0 H THR A 16 7.480 5.263 1.509 1.00 24.45 H new ATOM 0 HA THR A 16 8.145 6.477 3.946 1.00 13.11 H new ATOM 0 HB THR A 16 7.316 8.542 2.847 1.00 72.34 H new ATOM 0 HG1 THR A 16 5.730 9.029 4.503 1.00 51.12 H new ATOM 0 HG21 THR A 16 4.927 8.746 2.268 1.00 1.23 H new ATOM 0 HG22 THR A 16 5.745 7.525 1.265 1.00 1.23 H new ATOM 0 HG23 THR A 16 4.700 7.015 2.612 1.00 1.23 H new ATOM 303 N LEU A 17 5.849 5.502 4.935 1.00 33.40 N ATOM 304 CA LEU A 17 4.893 4.552 5.493 1.00 54.30 C ATOM 305 C LEU A 17 3.634 5.267 5.974 1.00 10.35 C ATOM 306 O LEU A 17 2.783 4.671 6.635 1.00 15.22 O ATOM 307 CB LEU A 17 5.528 3.779 6.650 1.00 52.11 C ATOM 308 CG LEU A 17 6.716 2.885 6.288 1.00 53.44 C ATOM 309 CD1 LEU A 17 7.832 3.042 7.309 1.00 11.40 C ATOM 310 CD2 LEU A 17 6.278 1.431 6.192 1.00 75.45 C ATOM 0 H LEU A 17 6.112 6.258 5.568 1.00 33.40 H new ATOM 0 HA LEU A 17 4.613 3.851 4.707 1.00 54.30 H new ATOM 0 HB2 LEU A 17 5.854 4.496 7.404 1.00 52.11 H new ATOM 0 HB3 LEU A 17 4.760 3.159 7.112 1.00 52.11 H new ATOM 0 HG LEU A 17 7.097 3.194 5.314 1.00 53.44 H new ATOM 0 HD11 LEU A 17 8.668 2.399 7.036 1.00 11.40 H new ATOM 0 HD12 LEU A 17 8.164 4.080 7.329 1.00 11.40 H new ATOM 0 HD13 LEU A 17 7.465 2.760 8.296 1.00 11.40 H new ATOM 0 HD21 LEU A 17 7.135 0.809 5.934 1.00 75.45 H new ATOM 0 HD22 LEU A 17 5.872 1.109 7.151 1.00 75.45 H new ATOM 0 HD23 LEU A 17 5.513 1.332 5.422 1.00 75.45 H new ATOM 322 N LYS A 18 3.521 6.547 5.638 1.00 35.30 N ATOM 323 CA LYS A 18 2.365 7.343 6.032 1.00 30.41 C ATOM 324 C LYS A 18 1.235 7.202 5.017 1.00 71.44 C ATOM 325 O LYS A 18 0.169 7.795 5.175 1.00 42.13 O ATOM 326 CB LYS A 18 2.758 8.816 6.171 1.00 12.42 C ATOM 327 CG LYS A 18 4.049 9.029 6.943 1.00 43.23 C ATOM 328 CD LYS A 18 4.377 10.507 7.083 1.00 51.23 C ATOM 329 CE LYS A 18 3.293 11.248 7.851 1.00 10.25 C ATOM 330 NZ LYS A 18 3.846 12.402 8.615 1.00 14.32 N ATOM 0 H LYS A 18 4.217 7.056 5.093 1.00 35.30 H new ATOM 0 HA LYS A 18 2.013 6.974 6.995 1.00 30.41 H new ATOM 0 HB2 LYS A 18 2.862 9.251 5.177 1.00 12.42 H new ATOM 0 HB3 LYS A 18 1.952 9.353 6.671 1.00 12.42 H new ATOM 0 HG2 LYS A 18 3.961 8.579 7.932 1.00 43.23 H new ATOM 0 HG3 LYS A 18 4.867 8.520 6.433 1.00 43.23 H new ATOM 0 HD2 LYS A 18 5.332 10.622 7.597 1.00 51.23 H new ATOM 0 HD3 LYS A 18 4.492 10.951 6.094 1.00 51.23 H new ATOM 0 HE2 LYS A 18 2.533 11.604 7.155 1.00 10.25 H new ATOM 0 HE3 LYS A 18 2.800 10.560 8.538 1.00 10.25 H new ATOM 0 HZ1 LYS A 18 3.077 12.881 9.125 1.00 14.32 H new ATOM 0 HZ2 LYS A 18 4.553 12.060 9.297 1.00 14.32 H new ATOM 0 HZ3 LYS A 18 4.295 13.071 7.957 1.00 14.32 H new ATOM 344 N GLU A 19 1.476 6.412 3.975 1.00 32.53 N ATOM 345 CA GLU A 19 0.477 6.192 2.936 1.00 21.21 C ATOM 346 C GLU A 19 0.145 7.497 2.217 1.00 2.44 C ATOM 347 O GLU A 19 -0.815 7.568 1.450 1.00 33.22 O ATOM 348 CB GLU A 19 -0.794 5.590 3.538 1.00 63.24 C ATOM 349 CG GLU A 19 -0.549 4.315 4.326 1.00 4.51 C ATOM 350 CD GLU A 19 -1.584 3.245 4.041 1.00 2.24 C ATOM 351 OE1 GLU A 19 -2.737 3.605 3.722 1.00 0.24 O ATOM 352 OE2 GLU A 19 -1.243 2.048 4.137 1.00 22.11 O ATOM 0 H GLU A 19 2.354 5.914 3.828 1.00 32.53 H new ATOM 0 HA GLU A 19 0.892 5.492 2.210 1.00 21.21 H new ATOM 0 HB2 GLU A 19 -1.261 6.327 4.192 1.00 63.24 H new ATOM 0 HB3 GLU A 19 -1.502 5.381 2.736 1.00 63.24 H new ATOM 0 HG2 GLU A 19 0.442 3.929 4.087 1.00 4.51 H new ATOM 0 HG3 GLU A 19 -0.553 4.544 5.392 1.00 4.51 H new ATOM 359 N ILE A 20 0.946 8.527 2.473 1.00 54.03 N ATOM 360 CA ILE A 20 0.737 9.829 1.851 1.00 15.24 C ATOM 361 C ILE A 20 2.066 10.512 1.548 1.00 31.10 C ATOM 362 O ILE A 20 3.028 10.386 2.306 1.00 4.45 O ATOM 363 CB ILE A 20 -0.110 10.751 2.747 1.00 2.01 C ATOM 364 CG1 ILE A 20 -1.456 10.097 3.062 1.00 11.55 C ATOM 365 CG2 ILE A 20 -0.314 12.101 2.074 1.00 12.14 C ATOM 366 CD1 ILE A 20 -2.367 9.980 1.861 1.00 41.14 C ATOM 0 H ILE A 20 1.745 8.485 3.106 1.00 54.03 H new ATOM 0 HA ILE A 20 0.202 9.652 0.918 1.00 15.24 H new ATOM 0 HB ILE A 20 0.422 10.911 3.685 1.00 2.01 H new ATOM 0 HG12 ILE A 20 -1.280 9.103 3.473 1.00 11.55 H new ATOM 0 HG13 ILE A 20 -1.960 10.677 3.835 1.00 11.55 H new ATOM 0 HG21 ILE A 20 -0.915 12.742 2.719 1.00 12.14 H new ATOM 0 HG22 ILE A 20 0.654 12.569 1.897 1.00 12.14 H new ATOM 0 HG23 ILE A 20 -0.828 11.960 1.123 1.00 12.14 H new ATOM 0 HD11 ILE A 20 -3.303 9.507 2.159 1.00 41.14 H new ATOM 0 HD12 ILE A 20 -2.573 10.973 1.463 1.00 41.14 H new ATOM 0 HD13 ILE A 20 -1.883 9.375 1.095 1.00 41.14 H new ATOM 378 N CYS A 21 2.112 11.235 0.435 1.00 44.32 N ATOM 379 CA CYS A 21 3.323 11.941 0.031 1.00 3.52 C ATOM 380 C CYS A 21 3.352 13.350 0.614 1.00 14.33 C ATOM 381 O CYS A 21 2.569 14.221 0.235 1.00 52.42 O ATOM 382 CB CYS A 21 3.416 12.005 -1.494 1.00 73.52 C ATOM 383 SG CYS A 21 4.874 12.881 -2.109 1.00 4.44 S ATOM 0 H CYS A 21 1.325 11.348 -0.204 1.00 44.32 H new ATOM 0 HA CYS A 21 4.181 11.390 0.417 1.00 3.52 H new ATOM 0 HB2 CYS A 21 3.422 10.989 -1.890 1.00 73.52 H new ATOM 0 HB3 CYS A 21 2.522 12.493 -1.882 1.00 73.52 H new ATOM 388 N PRO A 22 4.274 13.581 1.560 1.00 2.23 N ATOM 389 CA PRO A 22 4.427 14.882 2.216 1.00 3.43 C ATOM 390 C PRO A 22 4.984 15.945 1.275 1.00 13.23 C ATOM 391 O PRO A 22 5.054 17.123 1.624 1.00 3.21 O ATOM 392 CB PRO A 22 5.418 14.595 3.347 1.00 64.02 C ATOM 393 CG PRO A 22 6.195 13.414 2.878 1.00 2.31 C ATOM 394 CD PRO A 22 5.241 12.589 2.061 1.00 71.13 C ATOM 0 HA PRO A 22 3.472 15.280 2.559 1.00 3.43 H new ATOM 0 HB2 PRO A 22 6.069 15.450 3.530 1.00 64.02 H new ATOM 0 HB3 PRO A 22 4.901 14.383 4.283 1.00 64.02 H new ATOM 0 HG2 PRO A 22 7.053 13.723 2.281 1.00 2.31 H new ATOM 0 HG3 PRO A 22 6.582 12.842 3.721 1.00 2.31 H new ATOM 0 HD2 PRO A 22 5.750 12.077 1.245 1.00 71.13 H new ATOM 0 HD3 PRO A 22 4.754 11.823 2.664 1.00 71.13 H new ATOM 402 N LYS A 23 5.378 15.521 0.080 1.00 63.51 N ATOM 403 CA LYS A 23 5.929 16.436 -0.914 1.00 13.45 C ATOM 404 C LYS A 23 4.814 17.151 -1.671 1.00 1.13 C ATOM 405 O LYS A 23 4.706 18.377 -1.624 1.00 3.04 O ATOM 406 CB LYS A 23 6.821 15.676 -1.897 1.00 71.34 C ATOM 407 CG LYS A 23 8.200 16.291 -2.068 1.00 3.44 C ATOM 408 CD LYS A 23 9.222 15.257 -2.508 1.00 43.51 C ATOM 409 CE LYS A 23 10.598 15.552 -1.931 1.00 24.21 C ATOM 410 NZ LYS A 23 11.688 15.151 -2.862 1.00 73.10 N ATOM 0 H LYS A 23 5.326 14.549 -0.225 1.00 63.51 H new ATOM 0 HA LYS A 23 6.528 17.183 -0.393 1.00 13.45 H new ATOM 0 HB2 LYS A 23 6.931 14.647 -1.554 1.00 71.34 H new ATOM 0 HB3 LYS A 23 6.327 15.637 -2.868 1.00 71.34 H new ATOM 0 HG2 LYS A 23 8.153 17.093 -2.805 1.00 3.44 H new ATOM 0 HG3 LYS A 23 8.518 16.740 -1.127 1.00 3.44 H new ATOM 0 HD2 LYS A 23 8.898 14.266 -2.190 1.00 43.51 H new ATOM 0 HD3 LYS A 23 9.279 15.240 -3.596 1.00 43.51 H new ATOM 0 HE2 LYS A 23 10.680 16.617 -1.714 1.00 24.21 H new ATOM 0 HE3 LYS A 23 10.716 15.024 -0.985 1.00 24.21 H new ATOM 0 HZ1 LYS A 23 12.610 15.369 -2.432 1.00 73.10 H new ATOM 0 HZ2 LYS A 23 11.626 14.130 -3.050 1.00 73.10 H new ATOM 0 HZ3 LYS A 23 11.591 15.674 -3.756 1.00 73.10 H new ATOM 424 N CYS A 24 3.987 16.378 -2.366 1.00 12.43 N ATOM 425 CA CYS A 24 2.879 16.938 -3.132 1.00 2.13 C ATOM 426 C CYS A 24 1.565 16.795 -2.372 1.00 44.42 C ATOM 427 O CYS A 24 0.700 17.669 -2.436 1.00 23.24 O ATOM 428 CB CYS A 24 2.773 16.248 -4.493 1.00 11.22 C ATOM 429 SG CYS A 24 2.402 14.481 -4.397 1.00 51.34 S ATOM 0 H CYS A 24 4.063 15.362 -2.415 1.00 12.43 H new ATOM 0 HA CYS A 24 3.075 17.999 -3.285 1.00 2.13 H new ATOM 0 HB2 CYS A 24 1.996 16.740 -5.079 1.00 11.22 H new ATOM 0 HB3 CYS A 24 3.711 16.383 -5.031 1.00 11.22 H new ATOM 434 N GLY A 25 1.420 15.686 -1.652 1.00 40.02 N ATOM 435 CA GLY A 25 0.207 15.449 -0.892 1.00 23.02 C ATOM 436 C GLY A 25 -0.676 14.392 -1.524 1.00 31.14 C ATOM 437 O GLY A 25 -1.896 14.423 -1.373 1.00 53.34 O ATOM 0 H GLY A 25 2.121 14.948 -1.582 1.00 40.02 H new ATOM 0 HA2 GLY A 25 0.470 15.140 0.120 1.00 23.02 H new ATOM 0 HA3 GLY A 25 -0.352 16.381 -0.806 1.00 23.02 H new ATOM 441 N GLU A 26 -0.057 13.453 -2.234 1.00 42.43 N ATOM 442 CA GLU A 26 -0.796 12.383 -2.893 1.00 53.54 C ATOM 443 C GLU A 26 -0.517 11.039 -2.229 1.00 74.40 C ATOM 444 O GLU A 26 0.623 10.731 -1.878 1.00 63.45 O ATOM 445 CB GLU A 26 -0.429 12.318 -4.377 1.00 64.13 C ATOM 446 CG GLU A 26 -0.982 11.094 -5.088 1.00 62.43 C ATOM 447 CD GLU A 26 -2.449 10.859 -4.789 1.00 11.11 C ATOM 448 OE1 GLU A 26 -3.207 11.850 -4.723 1.00 24.01 O ATOM 449 OE2 GLU A 26 -2.840 9.685 -4.620 1.00 63.14 O ATOM 0 H GLU A 26 0.953 13.412 -2.367 1.00 42.43 H new ATOM 0 HA GLU A 26 -1.860 12.600 -2.799 1.00 53.54 H new ATOM 0 HB2 GLU A 26 -0.800 13.215 -4.874 1.00 64.13 H new ATOM 0 HB3 GLU A 26 0.657 12.325 -4.475 1.00 64.13 H new ATOM 0 HG2 GLU A 26 -0.849 11.212 -6.163 1.00 62.43 H new ATOM 0 HG3 GLU A 26 -0.409 10.216 -4.790 1.00 62.43 H new ATOM 456 N LYS A 27 -1.564 10.240 -2.059 1.00 72.23 N ATOM 457 CA LYS A 27 -1.433 8.927 -1.439 1.00 3.33 C ATOM 458 C LYS A 27 -0.320 8.121 -2.099 1.00 1.12 C ATOM 459 O LYS A 27 -0.131 8.183 -3.314 1.00 24.31 O ATOM 460 CB LYS A 27 -2.755 8.162 -1.532 1.00 12.41 C ATOM 461 CG LYS A 27 -3.956 8.960 -1.054 1.00 25.03 C ATOM 462 CD LYS A 27 -4.944 8.086 -0.303 1.00 15.33 C ATOM 463 CE LYS A 27 -6.027 8.917 0.369 1.00 20.40 C ATOM 464 NZ LYS A 27 -6.752 8.144 1.414 1.00 14.32 N ATOM 0 H LYS A 27 -2.514 10.479 -2.342 1.00 72.23 H new ATOM 0 HA LYS A 27 -1.178 9.073 -0.389 1.00 3.33 H new ATOM 0 HB2 LYS A 27 -2.918 7.861 -2.567 1.00 12.41 H new ATOM 0 HB3 LYS A 27 -2.679 7.249 -0.942 1.00 12.41 H new ATOM 0 HG2 LYS A 27 -3.621 9.770 -0.407 1.00 25.03 H new ATOM 0 HG3 LYS A 27 -4.452 9.419 -1.909 1.00 25.03 H new ATOM 0 HD2 LYS A 27 -5.403 7.378 -0.993 1.00 15.33 H new ATOM 0 HD3 LYS A 27 -4.415 7.500 0.449 1.00 15.33 H new ATOM 0 HE2 LYS A 27 -5.578 9.803 0.819 1.00 20.40 H new ATOM 0 HE3 LYS A 27 -6.736 9.265 -0.382 1.00 20.40 H new ATOM 0 HZ1 LYS A 27 -7.481 8.746 1.848 1.00 14.32 H new ATOM 0 HZ2 LYS A 27 -7.202 7.312 0.981 1.00 14.32 H new ATOM 0 HZ3 LYS A 27 -6.080 7.833 2.145 1.00 14.32 H new ATOM 478 N THR A 28 0.415 7.364 -1.291 1.00 30.35 N ATOM 479 CA THR A 28 1.511 6.545 -1.797 1.00 41.43 C ATOM 480 C THR A 28 1.032 5.138 -2.140 1.00 24.32 C ATOM 481 O THR A 28 0.003 4.683 -1.642 1.00 50.21 O ATOM 482 CB THR A 28 2.660 6.450 -0.777 1.00 2.35 C ATOM 483 OG1 THR A 28 2.134 6.460 0.555 1.00 13.53 O ATOM 484 CG2 THR A 28 3.635 7.605 -0.950 1.00 75.33 C ATOM 0 H THR A 28 0.272 7.301 -0.283 1.00 30.35 H new ATOM 0 HA THR A 28 1.878 7.032 -2.701 1.00 41.43 H new ATOM 0 HB THR A 28 3.194 5.516 -0.951 1.00 2.35 H new ATOM 0 HG1 THR A 28 2.840 6.717 1.184 1.00 13.53 H new ATOM 0 HG21 THR A 28 4.438 7.516 -0.218 1.00 75.33 H new ATOM 0 HG22 THR A 28 4.056 7.579 -1.955 1.00 75.33 H new ATOM 0 HG23 THR A 28 3.111 8.549 -0.801 1.00 75.33 H new ATOM 492 N VAL A 29 1.788 4.453 -2.992 1.00 14.14 N ATOM 493 CA VAL A 29 1.442 3.096 -3.399 1.00 62.21 C ATOM 494 C VAL A 29 2.662 2.182 -3.359 1.00 45.25 C ATOM 495 O VAL A 29 3.798 2.642 -3.473 1.00 23.05 O ATOM 496 CB VAL A 29 0.843 3.072 -4.818 1.00 13.01 C ATOM 497 CG1 VAL A 29 -0.343 4.019 -4.914 1.00 0.34 C ATOM 498 CG2 VAL A 29 1.903 3.427 -5.849 1.00 74.55 C ATOM 0 H VAL A 29 2.643 4.815 -3.414 1.00 14.14 H new ATOM 0 HA VAL A 29 0.697 2.733 -2.691 1.00 62.21 H new ATOM 0 HB VAL A 29 0.489 2.063 -5.027 1.00 13.01 H new ATOM 0 HG11 VAL A 29 -0.752 3.988 -5.924 1.00 0.34 H new ATOM 0 HG12 VAL A 29 -1.110 3.715 -4.202 1.00 0.34 H new ATOM 0 HG13 VAL A 29 -0.018 5.034 -4.685 1.00 0.34 H new ATOM 0 HG21 VAL A 29 1.463 3.405 -6.846 1.00 74.55 H new ATOM 0 HG22 VAL A 29 2.289 4.426 -5.645 1.00 74.55 H new ATOM 0 HG23 VAL A 29 2.718 2.705 -5.796 1.00 74.55 H new ATOM 508 N ILE A 30 2.418 0.886 -3.197 1.00 3.21 N ATOM 509 CA ILE A 30 3.497 -0.093 -3.143 1.00 63.13 C ATOM 510 C ILE A 30 4.248 -0.156 -4.469 1.00 11.12 C ATOM 511 O ILE A 30 3.714 -0.580 -5.494 1.00 2.13 O ATOM 512 CB ILE A 30 2.966 -1.497 -2.799 1.00 23.10 C ATOM 513 CG1 ILE A 30 2.040 -1.432 -1.582 1.00 21.54 C ATOM 514 CG2 ILE A 30 4.123 -2.451 -2.541 1.00 52.12 C ATOM 515 CD1 ILE A 30 2.692 -0.824 -0.360 1.00 43.01 C ATOM 0 H ILE A 30 1.483 0.490 -3.101 1.00 3.21 H new ATOM 0 HA ILE A 30 4.179 0.231 -2.357 1.00 63.13 H new ATOM 0 HB ILE A 30 2.393 -1.872 -3.648 1.00 23.10 H new ATOM 0 HG12 ILE A 30 1.155 -0.850 -1.839 1.00 21.54 H new ATOM 0 HG13 ILE A 30 1.700 -2.439 -1.340 1.00 21.54 H new ATOM 0 HG21 ILE A 30 3.733 -3.439 -2.299 1.00 52.12 H new ATOM 0 HG22 ILE A 30 4.747 -2.516 -3.432 1.00 52.12 H new ATOM 0 HG23 ILE A 30 4.719 -2.082 -1.706 1.00 52.12 H new ATOM 0 HD11 ILE A 30 1.979 -0.810 0.464 1.00 43.01 H new ATOM 0 HD12 ILE A 30 3.561 -1.418 -0.077 1.00 43.01 H new ATOM 0 HD13 ILE A 30 3.007 0.195 -0.585 1.00 43.01 H new ATOM 527 N PRO A 31 5.519 0.274 -4.450 1.00 14.42 N ATOM 528 CA PRO A 31 6.371 0.274 -5.641 1.00 64.43 C ATOM 529 C PRO A 31 6.752 -1.136 -6.082 1.00 42.03 C ATOM 530 O PRO A 31 7.838 -1.623 -5.769 1.00 74.41 O ATOM 531 CB PRO A 31 7.613 1.046 -5.188 1.00 62.43 C ATOM 532 CG PRO A 31 7.654 0.866 -3.710 1.00 52.40 C ATOM 533 CD PRO A 31 6.220 0.793 -3.263 1.00 74.02 C ATOM 0 HA PRO A 31 5.868 0.715 -6.502 1.00 64.43 H new ATOM 0 HB2 PRO A 31 8.515 0.656 -5.659 1.00 62.43 H new ATOM 0 HB3 PRO A 31 7.543 2.100 -5.456 1.00 62.43 H new ATOM 0 HG2 PRO A 31 8.193 -0.043 -3.442 1.00 52.40 H new ATOM 0 HG3 PRO A 31 8.171 1.697 -3.230 1.00 52.40 H new ATOM 0 HD2 PRO A 31 6.100 0.132 -2.404 1.00 74.02 H new ATOM 0 HD3 PRO A 31 5.841 1.771 -2.968 1.00 74.02 H new ATOM 541 N LYS A 32 5.851 -1.786 -6.810 1.00 62.32 N ATOM 542 CA LYS A 32 6.093 -3.140 -7.297 1.00 4.31 C ATOM 543 C LYS A 32 7.258 -3.165 -8.279 1.00 61.34 C ATOM 544 O LYS A 32 7.644 -2.143 -8.849 1.00 35.23 O ATOM 545 CB LYS A 32 4.834 -3.694 -7.967 1.00 55.44 C ATOM 546 CG LYS A 32 4.065 -4.677 -7.100 1.00 65.14 C ATOM 547 CD LYS A 32 2.822 -5.190 -7.807 1.00 42.31 C ATOM 548 CE LYS A 32 1.692 -4.172 -7.757 1.00 1.24 C ATOM 549 NZ LYS A 32 1.676 -3.302 -8.964 1.00 44.42 N ATOM 0 H LYS A 32 4.946 -1.398 -7.076 1.00 62.32 H new ATOM 0 HA LYS A 32 6.349 -3.767 -6.443 1.00 4.31 H new ATOM 0 HB2 LYS A 32 4.178 -2.864 -8.230 1.00 55.44 H new ATOM 0 HB3 LYS A 32 5.115 -4.186 -8.898 1.00 55.44 H new ATOM 0 HG2 LYS A 32 4.710 -5.517 -6.841 1.00 65.14 H new ATOM 0 HG3 LYS A 32 3.780 -4.194 -6.166 1.00 65.14 H new ATOM 0 HD2 LYS A 32 3.061 -5.419 -8.845 1.00 42.31 H new ATOM 0 HD3 LYS A 32 2.496 -6.120 -7.342 1.00 42.31 H new ATOM 0 HE2 LYS A 32 0.738 -4.692 -7.672 1.00 1.24 H new ATOM 0 HE3 LYS A 32 1.799 -3.554 -6.865 1.00 1.24 H new ATOM 0 HZ1 LYS A 32 1.626 -2.305 -8.673 1.00 44.42 H new ATOM 0 HZ2 LYS A 32 2.544 -3.458 -9.516 1.00 44.42 H new ATOM 0 HZ3 LYS A 32 0.848 -3.534 -9.548 1.00 44.42 H new ATOM 563 N PRO A 33 7.834 -4.359 -8.486 1.00 22.44 N ATOM 564 CA PRO A 33 8.963 -4.546 -9.401 1.00 71.54 C ATOM 565 C PRO A 33 8.558 -4.380 -10.862 1.00 42.04 C ATOM 566 O PRO A 33 7.376 -4.340 -11.203 1.00 43.34 O ATOM 567 CB PRO A 33 9.405 -5.986 -9.130 1.00 73.01 C ATOM 568 CG PRO A 33 8.186 -6.665 -8.608 1.00 22.43 C ATOM 569 CD PRO A 33 7.426 -5.618 -7.840 1.00 71.24 C ATOM 0 HA PRO A 33 9.747 -3.807 -9.237 1.00 71.54 H new ATOM 0 HB2 PRO A 33 9.767 -6.467 -10.039 1.00 73.01 H new ATOM 0 HB3 PRO A 33 10.218 -6.021 -8.405 1.00 73.01 H new ATOM 0 HG2 PRO A 33 7.583 -7.066 -9.423 1.00 22.43 H new ATOM 0 HG3 PRO A 33 8.452 -7.504 -7.965 1.00 22.43 H new ATOM 0 HD2 PRO A 33 6.349 -5.773 -7.906 1.00 71.24 H new ATOM 0 HD3 PRO A 33 7.685 -5.629 -6.781 1.00 71.24 H new ATOM 577 N PRO A 34 9.561 -4.281 -11.748 1.00 3.11 N ATOM 578 CA PRO A 34 9.333 -4.118 -13.187 1.00 32.24 C ATOM 579 C PRO A 34 8.760 -5.377 -13.829 1.00 1.24 C ATOM 580 O PRO A 34 8.378 -6.321 -13.136 1.00 23.11 O ATOM 581 CB PRO A 34 10.731 -3.827 -13.737 1.00 5.21 C ATOM 582 CG PRO A 34 11.662 -4.449 -12.753 1.00 31.01 C ATOM 583 CD PRO A 34 10.994 -4.321 -11.412 1.00 51.11 C ATOM 0 HA PRO A 34 8.605 -3.334 -13.398 1.00 32.24 H new ATOM 0 HB2 PRO A 34 10.862 -4.254 -14.731 1.00 5.21 H new ATOM 0 HB3 PRO A 34 10.907 -2.755 -13.825 1.00 5.21 H new ATOM 0 HG2 PRO A 34 11.847 -5.495 -12.998 1.00 31.01 H new ATOM 0 HG3 PRO A 34 12.628 -3.945 -12.757 1.00 31.01 H new ATOM 0 HD2 PRO A 34 11.231 -5.164 -10.763 1.00 51.11 H new ATOM 0 HD3 PRO A 34 11.310 -3.418 -10.890 1.00 51.11 H new ATOM 591 N LYS A 35 8.703 -5.385 -15.156 1.00 55.31 N ATOM 592 CA LYS A 35 8.177 -6.529 -15.892 1.00 71.33 C ATOM 593 C LYS A 35 8.919 -7.806 -15.515 1.00 34.24 C ATOM 594 O LYS A 35 10.075 -7.764 -15.093 1.00 41.10 O ATOM 595 CB LYS A 35 8.292 -6.287 -17.399 1.00 73.34 C ATOM 596 CG LYS A 35 7.254 -7.037 -18.216 1.00 64.23 C ATOM 597 CD LYS A 35 5.899 -6.353 -18.158 1.00 52.35 C ATOM 598 CE LYS A 35 4.766 -7.338 -18.412 1.00 22.10 C ATOM 599 NZ LYS A 35 3.543 -6.657 -18.919 1.00 62.44 N ATOM 0 H LYS A 35 9.015 -4.612 -15.744 1.00 55.31 H new ATOM 0 HA LYS A 35 7.126 -6.648 -15.627 1.00 71.33 H new ATOM 0 HB2 LYS A 35 8.195 -5.219 -17.596 1.00 73.34 H new ATOM 0 HB3 LYS A 35 9.287 -6.583 -17.731 1.00 73.34 H new ATOM 0 HG2 LYS A 35 7.585 -7.104 -19.252 1.00 64.23 H new ATOM 0 HG3 LYS A 35 7.164 -8.057 -17.843 1.00 64.23 H new ATOM 0 HD2 LYS A 35 5.766 -5.888 -17.181 1.00 52.35 H new ATOM 0 HD3 LYS A 35 5.861 -5.554 -18.899 1.00 52.35 H new ATOM 0 HE2 LYS A 35 5.091 -8.087 -19.134 1.00 22.10 H new ATOM 0 HE3 LYS A 35 4.531 -7.867 -17.489 1.00 22.10 H new ATOM 0 HZ1 LYS A 35 2.795 -7.361 -19.080 1.00 62.44 H new ATOM 0 HZ2 LYS A 35 3.218 -5.960 -18.219 1.00 62.44 H new ATOM 0 HZ3 LYS A 35 3.761 -6.173 -19.813 1.00 62.44 H new ATOM 613 N PHE A 36 8.247 -8.943 -15.669 1.00 62.40 N ATOM 614 CA PHE A 36 8.844 -10.233 -15.344 1.00 15.11 C ATOM 615 C PHE A 36 8.994 -11.094 -16.595 1.00 42.32 C ATOM 616 O PHE A 36 8.960 -12.323 -16.525 1.00 41.31 O ATOM 617 CB PHE A 36 7.991 -10.966 -14.307 1.00 11.21 C ATOM 618 CG PHE A 36 6.573 -11.191 -14.747 1.00 1.14 C ATOM 619 CD1 PHE A 36 5.613 -10.210 -14.563 1.00 44.45 C ATOM 620 CD2 PHE A 36 6.200 -12.384 -15.346 1.00 41.13 C ATOM 621 CE1 PHE A 36 4.306 -10.414 -14.967 1.00 24.20 C ATOM 622 CE2 PHE A 36 4.895 -12.594 -15.752 1.00 62.41 C ATOM 623 CZ PHE A 36 3.948 -11.607 -15.562 1.00 72.35 C ATOM 0 H PHE A 36 7.290 -8.997 -16.017 1.00 62.40 H new ATOM 0 HA PHE A 36 9.835 -10.052 -14.928 1.00 15.11 H new ATOM 0 HB2 PHE A 36 8.451 -11.929 -14.085 1.00 11.21 H new ATOM 0 HB3 PHE A 36 7.989 -10.393 -13.380 1.00 11.21 H new ATOM 0 HD1 PHE A 36 5.888 -9.275 -14.099 1.00 44.45 H new ATOM 0 HD2 PHE A 36 6.937 -13.159 -15.497 1.00 41.13 H new ATOM 0 HE1 PHE A 36 3.567 -9.641 -14.817 1.00 24.20 H new ATOM 0 HE2 PHE A 36 4.617 -13.528 -16.217 1.00 62.41 H new ATOM 0 HZ PHE A 36 2.928 -11.768 -15.879 1.00 72.35 H new ATOM 633 N SER A 37 9.158 -10.439 -17.740 1.00 75.54 N ATOM 634 CA SER A 37 9.308 -11.142 -19.009 1.00 32.14 C ATOM 635 C SER A 37 10.094 -10.299 -20.008 1.00 13.15 C ATOM 636 O SER A 37 10.546 -9.199 -19.689 1.00 64.41 O ATOM 637 CB SER A 37 7.936 -11.493 -19.587 1.00 33.24 C ATOM 638 OG SER A 37 6.987 -11.706 -18.556 1.00 74.12 O ATOM 0 H SER A 37 9.190 -9.422 -17.815 1.00 75.54 H new ATOM 0 HA SER A 37 9.862 -12.062 -18.823 1.00 32.14 H new ATOM 0 HB2 SER A 37 7.596 -10.688 -20.238 1.00 33.24 H new ATOM 0 HB3 SER A 37 8.016 -12.389 -20.203 1.00 33.24 H new ATOM 0 HG SER A 37 7.345 -12.351 -17.910 1.00 74.12 H new ATOM 644 N LEU A 38 10.254 -10.823 -21.219 1.00 10.43 N ATOM 645 CA LEU A 38 10.985 -10.120 -22.267 1.00 3.31 C ATOM 646 C LEU A 38 12.447 -9.931 -21.878 1.00 4.45 C ATOM 647 O LEU A 38 13.047 -8.897 -22.169 1.00 2.02 O ATOM 648 CB LEU A 38 10.338 -8.761 -22.542 1.00 62.31 C ATOM 649 CG LEU A 38 10.471 -8.232 -23.971 1.00 23.42 C ATOM 650 CD1 LEU A 38 9.387 -8.821 -24.861 1.00 31.54 C ATOM 651 CD2 LEU A 38 10.408 -6.712 -23.985 1.00 1.31 C ATOM 0 H LEU A 38 9.887 -11.733 -21.499 1.00 10.43 H new ATOM 0 HA LEU A 38 10.945 -10.725 -23.173 1.00 3.31 H new ATOM 0 HB2 LEU A 38 9.278 -8.830 -22.298 1.00 62.31 H new ATOM 0 HB3 LEU A 38 10.774 -8.029 -21.863 1.00 62.31 H new ATOM 0 HG LEU A 38 11.441 -8.539 -24.363 1.00 23.42 H new ATOM 0 HD11 LEU A 38 9.497 -8.433 -25.874 1.00 31.54 H new ATOM 0 HD12 LEU A 38 9.479 -9.907 -24.876 1.00 31.54 H new ATOM 0 HD13 LEU A 38 8.407 -8.545 -24.472 1.00 31.54 H new ATOM 0 HD21 LEU A 38 10.504 -6.353 -25.010 1.00 1.31 H new ATOM 0 HD22 LEU A 38 9.453 -6.384 -23.574 1.00 1.31 H new ATOM 0 HD23 LEU A 38 11.221 -6.309 -23.381 1.00 1.31 H new ATOM 663 N GLU A 39 13.014 -10.937 -21.219 1.00 61.31 N ATOM 664 CA GLU A 39 14.407 -10.881 -20.792 1.00 3.51 C ATOM 665 C GLU A 39 14.625 -9.746 -19.794 1.00 72.41 C ATOM 666 O GLU A 39 15.721 -9.193 -19.697 1.00 54.11 O ATOM 667 CB GLU A 39 15.327 -10.697 -21.999 1.00 71.42 C ATOM 668 CG GLU A 39 16.612 -11.503 -21.915 1.00 13.12 C ATOM 669 CD GLU A 39 16.715 -12.554 -23.003 1.00 71.33 C ATOM 670 OE1 GLU A 39 15.713 -13.261 -23.241 1.00 23.02 O ATOM 671 OE2 GLU A 39 17.796 -12.669 -23.617 1.00 75.53 O ATOM 0 H GLU A 39 12.530 -11.800 -20.970 1.00 61.31 H new ATOM 0 HA GLU A 39 14.648 -11.824 -20.302 1.00 3.51 H new ATOM 0 HB2 GLU A 39 14.788 -10.982 -22.902 1.00 71.42 H new ATOM 0 HB3 GLU A 39 15.577 -9.641 -22.097 1.00 71.42 H new ATOM 0 HG2 GLU A 39 17.465 -10.828 -21.986 1.00 13.12 H new ATOM 0 HG3 GLU A 39 16.669 -11.988 -20.940 1.00 13.12 H new ATOM 678 N ASP A 40 13.574 -9.405 -19.057 1.00 45.15 N ATOM 679 CA ASP A 40 13.649 -8.336 -18.068 1.00 12.33 C ATOM 680 C ASP A 40 14.825 -8.554 -17.121 1.00 64.24 C ATOM 681 O ASP A 40 15.455 -9.611 -17.131 1.00 35.44 O ATOM 682 CB ASP A 40 12.346 -8.257 -17.270 1.00 74.33 C ATOM 683 CG ASP A 40 12.053 -9.537 -16.512 1.00 20.43 C ATOM 684 OD1 ASP A 40 11.842 -10.580 -17.166 1.00 44.22 O ATOM 685 OD2 ASP A 40 12.035 -9.495 -15.264 1.00 15.11 O ATOM 0 H ASP A 40 12.660 -9.853 -19.126 1.00 45.15 H new ATOM 0 HA ASP A 40 13.800 -7.395 -18.598 1.00 12.33 H new ATOM 0 HB2 ASP A 40 12.404 -7.427 -16.566 1.00 74.33 H new ATOM 0 HB3 ASP A 40 11.520 -8.043 -17.948 1.00 74.33 H new ATOM 690 N ARG A 41 15.117 -7.545 -16.307 1.00 0.13 N ATOM 691 CA ARG A 41 16.220 -7.625 -15.356 1.00 53.24 C ATOM 692 C ARG A 41 16.073 -8.848 -14.455 1.00 43.42 C ATOM 693 O ARG A 41 17.062 -9.473 -14.074 1.00 30.21 O ATOM 694 CB ARG A 41 16.282 -6.356 -14.506 1.00 41.12 C ATOM 695 CG ARG A 41 16.527 -5.092 -15.315 1.00 13.42 C ATOM 696 CD ARG A 41 16.222 -3.843 -14.502 1.00 62.25 C ATOM 697 NE ARG A 41 16.799 -2.644 -15.105 1.00 35.14 N ATOM 698 CZ ARG A 41 16.256 -2.004 -16.134 1.00 11.02 C ATOM 699 NH1 ARG A 41 15.128 -2.446 -16.674 1.00 4.21 N ATOM 700 NH2 ARG A 41 16.841 -0.920 -16.627 1.00 14.22 N ATOM 0 H ARG A 41 14.606 -6.663 -16.287 1.00 0.13 H new ATOM 0 HA ARG A 41 17.147 -7.721 -15.921 1.00 53.24 H new ATOM 0 HB2 ARG A 41 15.346 -6.250 -13.957 1.00 41.12 H new ATOM 0 HB3 ARG A 41 17.075 -6.463 -13.766 1.00 41.12 H new ATOM 0 HG2 ARG A 41 17.565 -5.067 -15.647 1.00 13.42 H new ATOM 0 HG3 ARG A 41 15.906 -5.105 -16.210 1.00 13.42 H new ATOM 0 HD2 ARG A 41 15.142 -3.722 -14.415 1.00 62.25 H new ATOM 0 HD3 ARG A 41 16.612 -3.964 -13.491 1.00 62.25 H new ATOM 0 HE ARG A 41 17.667 -2.278 -14.714 1.00 35.14 H new ATOM 0 HH11 ARG A 41 14.675 -3.280 -16.299 1.00 4.21 H new ATOM 0 HH12 ARG A 41 14.713 -1.952 -17.464 1.00 4.21 H new ATOM 0 HH21 ARG A 41 17.709 -0.577 -16.216 1.00 14.22 H new ATOM 0 HH22 ARG A 41 16.423 -0.430 -17.417 1.00 14.22 H new ATOM 714 N TRP A 42 14.833 -9.181 -14.118 1.00 1.53 N ATOM 715 CA TRP A 42 14.556 -10.328 -13.260 1.00 53.41 C ATOM 716 C TRP A 42 14.215 -11.560 -14.091 1.00 63.14 C ATOM 717 O TRP A 42 13.606 -12.506 -13.594 1.00 63.54 O ATOM 718 CB TRP A 42 13.406 -10.010 -12.302 1.00 70.14 C ATOM 719 CG TRP A 42 13.840 -9.253 -11.084 1.00 65.01 C ATOM 720 CD1 TRP A 42 14.877 -8.369 -10.994 1.00 22.44 C ATOM 721 CD2 TRP A 42 13.249 -9.314 -9.781 1.00 52.43 C ATOM 722 NE1 TRP A 42 14.967 -7.877 -9.714 1.00 60.43 N ATOM 723 CE2 TRP A 42 13.979 -8.440 -8.951 1.00 33.31 C ATOM 724 CE3 TRP A 42 12.173 -10.019 -9.236 1.00 34.32 C ATOM 725 CZ2 TRP A 42 13.667 -8.258 -7.607 1.00 43.30 C ATOM 726 CZ3 TRP A 42 11.864 -9.836 -7.901 1.00 34.42 C ATOM 727 CH2 TRP A 42 12.608 -8.961 -7.099 1.00 34.42 C ATOM 0 H TRP A 42 14.003 -8.674 -14.425 1.00 1.53 H new ATOM 0 HA TRP A 42 15.454 -10.541 -12.680 1.00 53.41 H new ATOM 0 HB2 TRP A 42 12.651 -9.429 -12.832 1.00 70.14 H new ATOM 0 HB3 TRP A 42 12.932 -10.942 -11.992 1.00 70.14 H new ATOM 0 HD1 TRP A 42 15.531 -8.096 -11.809 1.00 22.44 H new ATOM 0 HE1 TRP A 42 15.658 -7.202 -9.386 1.00 60.43 H new ATOM 0 HE3 TRP A 42 11.593 -10.695 -9.847 1.00 34.32 H new ATOM 0 HZ2 TRP A 42 14.240 -7.585 -6.986 1.00 43.30 H new ATOM 0 HZ3 TRP A 42 11.035 -10.377 -7.469 1.00 34.42 H new ATOM 0 HH2 TRP A 42 12.341 -8.839 -6.060 1.00 34.42 H new ATOM 738 N GLY A 43 14.613 -11.541 -15.360 1.00 55.43 N ATOM 739 CA GLY A 43 14.341 -12.662 -16.239 1.00 53.31 C ATOM 740 C GLY A 43 14.984 -13.947 -15.758 1.00 25.44 C ATOM 741 O GLY A 43 14.463 -15.037 -15.989 1.00 15.23 O ATOM 0 H GLY A 43 15.119 -10.769 -15.794 1.00 55.43 H new ATOM 0 HA2 GLY A 43 13.263 -12.806 -16.316 1.00 53.31 H new ATOM 0 HA3 GLY A 43 14.704 -12.431 -17.240 1.00 53.31 H new ATOM 745 N LYS A 44 16.125 -13.820 -15.087 1.00 45.13 N ATOM 746 CA LYS A 44 16.843 -14.979 -14.572 1.00 4.44 C ATOM 747 C LYS A 44 16.280 -15.411 -13.221 1.00 71.24 C ATOM 748 O LYS A 44 16.335 -16.588 -12.863 1.00 71.15 O ATOM 749 CB LYS A 44 18.334 -14.661 -14.435 1.00 74.11 C ATOM 750 CG LYS A 44 18.979 -14.202 -15.733 1.00 35.33 C ATOM 751 CD LYS A 44 20.187 -13.320 -15.473 1.00 4.01 C ATOM 752 CE LYS A 44 21.397 -14.140 -15.049 1.00 54.22 C ATOM 753 NZ LYS A 44 21.352 -14.488 -13.602 1.00 44.05 N ATOM 0 H LYS A 44 16.572 -12.925 -14.888 1.00 45.13 H new ATOM 0 HA LYS A 44 16.715 -15.798 -15.279 1.00 4.44 H new ATOM 0 HB2 LYS A 44 18.464 -13.886 -13.680 1.00 74.11 H new ATOM 0 HB3 LYS A 44 18.855 -15.548 -14.074 1.00 74.11 H new ATOM 0 HG2 LYS A 44 19.281 -15.071 -16.318 1.00 35.33 H new ATOM 0 HG3 LYS A 44 18.249 -13.655 -16.329 1.00 35.33 H new ATOM 0 HD2 LYS A 44 20.427 -12.755 -16.374 1.00 4.01 H new ATOM 0 HD3 LYS A 44 19.948 -12.594 -14.696 1.00 4.01 H new ATOM 0 HE2 LYS A 44 21.442 -15.054 -15.641 1.00 54.22 H new ATOM 0 HE3 LYS A 44 22.308 -13.579 -15.259 1.00 54.22 H new ATOM 0 HZ1 LYS A 44 22.313 -14.454 -13.207 1.00 44.05 H new ATOM 0 HZ2 LYS A 44 20.747 -13.808 -13.100 1.00 44.05 H new ATOM 0 HZ3 LYS A 44 20.965 -15.446 -13.487 1.00 44.05 H new ATOM 767 N TYR A 45 15.739 -14.453 -12.477 1.00 14.54 N ATOM 768 CA TYR A 45 15.166 -14.736 -11.166 1.00 12.12 C ATOM 769 C TYR A 45 14.024 -15.741 -11.275 1.00 2.13 C ATOM 770 O TYR A 45 13.711 -16.449 -10.318 1.00 62.51 O ATOM 771 CB TYR A 45 14.664 -13.445 -10.516 1.00 31.01 C ATOM 772 CG TYR A 45 14.517 -13.541 -9.015 1.00 42.30 C ATOM 773 CD1 TYR A 45 15.625 -13.461 -8.181 1.00 30.30 C ATOM 774 CD2 TYR A 45 13.268 -13.710 -8.430 1.00 2.40 C ATOM 775 CE1 TYR A 45 15.494 -13.548 -6.809 1.00 2.33 C ATOM 776 CE2 TYR A 45 13.126 -13.797 -7.058 1.00 24.41 C ATOM 777 CZ TYR A 45 14.243 -13.716 -6.252 1.00 65.42 C ATOM 778 OH TYR A 45 14.109 -13.802 -4.885 1.00 10.31 O ATOM 0 H TYR A 45 15.685 -13.474 -12.759 1.00 14.54 H new ATOM 0 HA TYR A 45 15.948 -15.169 -10.542 1.00 12.12 H new ATOM 0 HB2 TYR A 45 15.354 -12.636 -10.754 1.00 31.01 H new ATOM 0 HB3 TYR A 45 13.700 -13.180 -10.951 1.00 31.01 H new ATOM 0 HD1 TYR A 45 16.606 -13.328 -8.613 1.00 30.30 H new ATOM 0 HD2 TYR A 45 12.392 -13.775 -9.059 1.00 2.40 H new ATOM 0 HE1 TYR A 45 16.366 -13.485 -6.175 1.00 2.33 H new ATOM 0 HE2 TYR A 45 12.148 -13.927 -6.620 1.00 24.41 H new ATOM 0 HH TYR A 45 13.163 -13.918 -4.656 1.00 10.31 H new ATOM 788 N ARG A 46 13.405 -15.797 -12.449 1.00 53.43 N ATOM 789 CA ARG A 46 12.296 -16.714 -12.686 1.00 4.12 C ATOM 790 C ARG A 46 12.696 -18.148 -12.350 1.00 53.11 C ATOM 791 O ARG A 46 12.191 -18.737 -11.395 1.00 40.20 O ATOM 792 CB ARG A 46 11.836 -16.628 -14.142 1.00 31.53 C ATOM 793 CG ARG A 46 10.745 -15.597 -14.377 1.00 73.14 C ATOM 794 CD ARG A 46 9.389 -16.257 -14.576 1.00 64.13 C ATOM 795 NE ARG A 46 8.405 -15.789 -13.603 1.00 62.33 N ATOM 796 CZ ARG A 46 8.304 -16.273 -12.372 1.00 12.55 C ATOM 797 NH1 ARG A 46 9.121 -17.234 -11.962 1.00 61.55 N ATOM 798 NH2 ARG A 46 7.382 -15.797 -11.544 1.00 21.31 N ATOM 0 H ARG A 46 13.652 -15.218 -13.252 1.00 53.43 H new ATOM 0 HA ARG A 46 11.471 -16.423 -12.035 1.00 4.12 H new ATOM 0 HB2 ARG A 46 12.693 -16.387 -14.771 1.00 31.53 H new ATOM 0 HB3 ARG A 46 11.474 -17.606 -14.458 1.00 31.53 H new ATOM 0 HG2 ARG A 46 10.698 -14.915 -13.528 1.00 73.14 H new ATOM 0 HG3 ARG A 46 10.992 -14.998 -15.254 1.00 73.14 H new ATOM 0 HD2 ARG A 46 9.029 -16.050 -15.584 1.00 64.13 H new ATOM 0 HD3 ARG A 46 9.496 -17.338 -14.492 1.00 64.13 H new ATOM 0 HE ARG A 46 7.761 -15.050 -13.885 1.00 62.33 H new ATOM 0 HH11 ARG A 46 9.831 -17.604 -12.594 1.00 61.55 H new ATOM 0 HH12 ARG A 46 9.039 -17.603 -11.015 1.00 61.55 H new ATOM 0 HH21 ARG A 46 6.750 -15.059 -11.854 1.00 21.31 H new ATOM 0 HH22 ARG A 46 7.305 -16.170 -10.598 1.00 21.31 H new ATOM 812 N ARG A 47 13.606 -18.704 -13.144 1.00 1.54 N ATOM 813 CA ARG A 47 14.073 -20.069 -12.932 1.00 42.35 C ATOM 814 C ARG A 47 14.687 -20.224 -11.545 1.00 10.45 C ATOM 815 O ARG A 47 14.755 -21.329 -11.006 1.00 71.20 O ATOM 816 CB ARG A 47 15.098 -20.451 -14.002 1.00 0.22 C ATOM 817 CG ARG A 47 14.652 -20.126 -15.417 1.00 43.42 C ATOM 818 CD ARG A 47 13.308 -20.760 -15.738 1.00 55.11 C ATOM 819 NE ARG A 47 13.312 -21.420 -17.041 1.00 74.14 N ATOM 820 CZ ARG A 47 13.957 -22.553 -17.290 1.00 34.24 C ATOM 821 NH1 ARG A 47 14.648 -23.152 -16.328 1.00 45.12 N ATOM 822 NH2 ARG A 47 13.913 -23.093 -18.501 1.00 30.30 N ATOM 0 H ARG A 47 14.034 -18.230 -13.939 1.00 1.54 H new ATOM 0 HA ARG A 47 13.214 -20.736 -13.006 1.00 42.35 H new ATOM 0 HB2 ARG A 47 16.035 -19.932 -13.797 1.00 0.22 H new ATOM 0 HB3 ARG A 47 15.303 -21.519 -13.931 1.00 0.22 H new ATOM 0 HG2 ARG A 47 14.584 -19.045 -15.539 1.00 43.42 H new ATOM 0 HG3 ARG A 47 15.401 -20.480 -16.126 1.00 43.42 H new ATOM 0 HD2 ARG A 47 13.055 -21.486 -14.965 1.00 55.11 H new ATOM 0 HD3 ARG A 47 12.533 -19.994 -15.722 1.00 55.11 H new ATOM 0 HE ARG A 47 12.790 -20.986 -17.802 1.00 74.14 H new ATOM 0 HH11 ARG A 47 14.684 -22.742 -15.395 1.00 45.12 H new ATOM 0 HH12 ARG A 47 15.143 -24.023 -16.522 1.00 45.12 H new ATOM 0 HH21 ARG A 47 13.383 -22.637 -19.244 1.00 30.30 H new ATOM 0 HH22 ARG A 47 14.410 -23.964 -18.689 1.00 30.30 H new ATOM 836 N MET A 48 15.132 -19.111 -10.972 1.00 15.34 N ATOM 837 CA MET A 48 15.739 -19.124 -9.646 1.00 53.02 C ATOM 838 C MET A 48 14.711 -18.778 -8.572 1.00 72.35 C ATOM 839 O MET A 48 15.061 -18.287 -7.499 1.00 44.11 O ATOM 840 CB MET A 48 16.908 -18.138 -9.586 1.00 55.55 C ATOM 841 CG MET A 48 17.947 -18.362 -10.673 1.00 25.01 C ATOM 842 SD MET A 48 19.032 -19.757 -10.319 1.00 13.12 S ATOM 843 CE MET A 48 19.083 -20.562 -11.919 1.00 4.14 C ATOM 0 H MET A 48 15.084 -18.189 -11.405 1.00 15.34 H new ATOM 0 HA MET A 48 16.112 -20.130 -9.456 1.00 53.02 H new ATOM 0 HB2 MET A 48 16.521 -17.122 -9.668 1.00 55.55 H new ATOM 0 HB3 MET A 48 17.390 -18.217 -8.612 1.00 55.55 H new ATOM 0 HG2 MET A 48 17.442 -18.532 -11.624 1.00 25.01 H new ATOM 0 HG3 MET A 48 18.547 -17.460 -10.788 1.00 25.01 H new ATOM 0 HE1 MET A 48 19.718 -21.446 -11.861 1.00 4.14 H new ATOM 0 HE2 MET A 48 18.075 -20.857 -12.210 1.00 4.14 H new ATOM 0 HE3 MET A 48 19.488 -19.873 -12.660 1.00 4.14 H new ATOM 853 N LEU A 49 13.443 -19.037 -8.870 1.00 11.14 N ATOM 854 CA LEU A 49 12.364 -18.753 -7.931 1.00 0.23 C ATOM 855 C LEU A 49 11.770 -20.043 -7.376 1.00 1.14 C ATOM 856 O LEU A 49 11.222 -20.064 -6.273 1.00 33.54 O ATOM 857 CB LEU A 49 11.271 -17.927 -8.613 1.00 75.32 C ATOM 858 CG LEU A 49 10.472 -16.990 -7.707 1.00 33.24 C ATOM 859 CD1 LEU A 49 9.995 -15.774 -8.484 1.00 1.14 C ATOM 860 CD2 LEU A 49 9.294 -17.726 -7.086 1.00 14.40 C ATOM 0 H LEU A 49 13.137 -19.443 -9.754 1.00 11.14 H new ATOM 0 HA LEU A 49 12.780 -18.180 -7.102 1.00 0.23 H new ATOM 0 HB2 LEU A 49 11.732 -17.332 -9.401 1.00 75.32 H new ATOM 0 HB3 LEU A 49 10.575 -18.612 -9.097 1.00 75.32 H new ATOM 0 HG LEU A 49 11.125 -16.648 -6.904 1.00 33.24 H new ATOM 0 HD11 LEU A 49 9.428 -15.119 -7.822 1.00 1.14 H new ATOM 0 HD12 LEU A 49 10.856 -15.234 -8.879 1.00 1.14 H new ATOM 0 HD13 LEU A 49 9.359 -16.096 -9.308 1.00 1.14 H new ATOM 0 HD21 LEU A 49 8.736 -17.044 -6.444 1.00 14.40 H new ATOM 0 HD22 LEU A 49 8.640 -18.098 -7.875 1.00 14.40 H new ATOM 0 HD23 LEU A 49 9.660 -18.564 -6.493 1.00 14.40 H new ATOM 872 N LYS A 50 11.884 -21.120 -8.146 1.00 51.32 N ATOM 873 CA LYS A 50 11.363 -22.417 -7.732 1.00 73.12 C ATOM 874 C LYS A 50 11.931 -23.535 -8.600 1.00 31.21 C ATOM 875 O LYS A 50 12.461 -23.284 -9.683 1.00 61.31 O ATOM 876 CB LYS A 50 9.834 -22.424 -7.810 1.00 40.03 C ATOM 877 CG LYS A 50 9.283 -21.655 -8.998 1.00 52.20 C ATOM 878 CD LYS A 50 9.710 -22.280 -10.315 1.00 24.43 C ATOM 879 CE LYS A 50 8.827 -21.822 -11.464 1.00 2.41 C ATOM 880 NZ LYS A 50 7.557 -22.598 -11.531 1.00 34.11 N ATOM 0 H LYS A 50 12.333 -21.120 -9.062 1.00 51.32 H new ATOM 0 HA LYS A 50 11.670 -22.591 -6.701 1.00 73.12 H new ATOM 0 HB2 LYS A 50 9.486 -23.456 -7.862 1.00 40.03 H new ATOM 0 HB3 LYS A 50 9.430 -21.997 -6.892 1.00 40.03 H new ATOM 0 HG2 LYS A 50 8.195 -21.629 -8.943 1.00 52.20 H new ATOM 0 HG3 LYS A 50 9.629 -20.622 -8.956 1.00 52.20 H new ATOM 0 HD2 LYS A 50 10.747 -22.016 -10.524 1.00 24.43 H new ATOM 0 HD3 LYS A 50 9.668 -23.366 -10.234 1.00 24.43 H new ATOM 0 HE2 LYS A 50 8.599 -20.762 -11.347 1.00 2.41 H new ATOM 0 HE3 LYS A 50 9.369 -21.930 -12.404 1.00 2.41 H new ATOM 0 HZ1 LYS A 50 6.983 -22.256 -12.328 1.00 34.11 H new ATOM 0 HZ2 LYS A 50 7.773 -23.606 -11.668 1.00 34.11 H new ATOM 0 HZ3 LYS A 50 7.028 -22.475 -10.644 1.00 34.11 H new ATOM 894 N ARG A 51 11.817 -24.768 -8.118 1.00 55.34 N ATOM 895 CA ARG A 51 12.319 -25.924 -8.851 1.00 73.32 C ATOM 896 C ARG A 51 11.187 -26.892 -9.184 1.00 0.33 C ATOM 897 O ARG A 51 10.100 -26.810 -8.612 1.00 14.30 O ATOM 898 CB ARG A 51 13.396 -26.642 -8.036 1.00 71.10 C ATOM 899 CG ARG A 51 13.047 -26.791 -6.564 1.00 63.31 C ATOM 900 CD ARG A 51 13.880 -27.877 -5.902 1.00 32.22 C ATOM 901 NE ARG A 51 13.326 -28.282 -4.613 1.00 4.51 N ATOM 902 CZ ARG A 51 13.454 -27.568 -3.501 1.00 23.23 C ATOM 903 NH1 ARG A 51 14.115 -26.418 -3.520 1.00 5.13 N ATOM 904 NH2 ARG A 51 12.922 -28.002 -2.365 1.00 52.12 N ATOM 0 H ARG A 51 11.382 -24.992 -7.223 1.00 55.34 H new ATOM 0 HA ARG A 51 12.755 -25.569 -9.785 1.00 73.32 H new ATOM 0 HB2 ARG A 51 13.564 -27.631 -8.463 1.00 71.10 H new ATOM 0 HB3 ARG A 51 14.333 -26.093 -8.125 1.00 71.10 H new ATOM 0 HG2 ARG A 51 13.210 -25.843 -6.052 1.00 63.31 H new ATOM 0 HG3 ARG A 51 11.988 -27.030 -6.462 1.00 63.31 H new ATOM 0 HD2 ARG A 51 13.936 -28.743 -6.561 1.00 32.22 H new ATOM 0 HD3 ARG A 51 14.899 -27.517 -5.762 1.00 32.22 H new ATOM 0 HE ARG A 51 12.812 -29.162 -4.564 1.00 4.51 H new ATOM 0 HH11 ARG A 51 14.526 -26.080 -4.390 1.00 5.13 H new ATOM 0 HH12 ARG A 51 14.212 -25.871 -2.664 1.00 5.13 H new ATOM 0 HH21 ARG A 51 12.413 -28.886 -2.345 1.00 52.12 H new ATOM 0 HH22 ARG A 51 13.022 -27.452 -1.512 1.00 52.12 H new ATOM 918 N ALA A 52 11.449 -27.807 -10.111 1.00 62.34 N ATOM 919 CA ALA A 52 10.454 -28.790 -10.518 1.00 32.40 C ATOM 920 C ALA A 52 10.447 -29.987 -9.573 1.00 32.21 C ATOM 921 O ALA A 52 9.442 -30.689 -9.452 1.00 23.35 O ATOM 922 CB ALA A 52 10.713 -29.244 -11.947 1.00 32.43 C ATOM 0 H ALA A 52 12.343 -27.888 -10.595 1.00 62.34 H new ATOM 0 HA ALA A 52 9.473 -28.318 -10.472 1.00 32.40 H new ATOM 0 HB1 ALA A 52 9.962 -29.978 -12.237 1.00 32.43 H new ATOM 0 HB2 ALA A 52 10.659 -28.386 -12.617 1.00 32.43 H new ATOM 0 HB3 ALA A 52 11.704 -29.694 -12.012 1.00 32.43 H new ATOM 928 N LEU A 53 11.574 -30.216 -8.908 1.00 3.30 N ATOM 929 CA LEU A 53 11.698 -31.330 -7.974 1.00 25.23 C ATOM 930 C LEU A 53 10.556 -31.322 -6.963 1.00 23.23 C ATOM 931 O LEU A 53 10.286 -30.306 -6.322 1.00 52.10 O ATOM 932 CB LEU A 53 13.041 -31.262 -7.244 1.00 64.01 C ATOM 933 CG LEU A 53 13.821 -32.573 -7.151 1.00 33.42 C ATOM 934 CD1 LEU A 53 14.365 -32.970 -8.514 1.00 61.43 C ATOM 935 CD2 LEU A 53 14.950 -32.451 -6.139 1.00 22.51 C ATOM 0 H LEU A 53 12.415 -29.646 -8.998 1.00 3.30 H new ATOM 0 HA LEU A 53 11.648 -32.258 -8.544 1.00 25.23 H new ATOM 0 HB2 LEU A 53 13.668 -30.524 -7.746 1.00 64.01 H new ATOM 0 HB3 LEU A 53 12.864 -30.895 -6.233 1.00 64.01 H new ATOM 0 HG LEU A 53 13.140 -33.355 -6.814 1.00 33.42 H new ATOM 0 HD11 LEU A 53 14.917 -33.906 -8.427 1.00 61.43 H new ATOM 0 HD12 LEU A 53 13.538 -33.100 -9.212 1.00 61.43 H new ATOM 0 HD13 LEU A 53 15.030 -32.189 -8.882 1.00 61.43 H new ATOM 0 HD21 LEU A 53 15.495 -33.394 -6.086 1.00 22.51 H new ATOM 0 HD22 LEU A 53 15.630 -31.656 -6.446 1.00 22.51 H new ATOM 0 HD23 LEU A 53 14.536 -32.216 -5.159 1.00 22.51 H new ATOM 947 N LYS A 54 9.890 -32.464 -6.822 1.00 45.44 N ATOM 948 CA LYS A 54 8.779 -32.591 -5.886 1.00 22.21 C ATOM 949 C LYS A 54 9.240 -33.226 -4.578 1.00 53.35 C ATOM 950 O LYS A 54 9.893 -34.268 -4.580 1.00 54.53 O ATOM 951 CB LYS A 54 7.658 -33.429 -6.505 1.00 44.33 C ATOM 952 CG LYS A 54 6.293 -33.165 -5.892 1.00 23.33 C ATOM 953 CD LYS A 54 6.024 -34.086 -4.713 1.00 61.34 C ATOM 954 CE LYS A 54 4.545 -34.418 -4.591 1.00 22.21 C ATOM 955 NZ LYS A 54 4.171 -35.596 -5.422 1.00 53.12 N ATOM 0 H LYS A 54 10.101 -33.315 -7.344 1.00 45.44 H new ATOM 0 HA LYS A 54 8.401 -31.592 -5.671 1.00 22.21 H new ATOM 0 HB2 LYS A 54 7.612 -33.226 -7.575 1.00 44.33 H new ATOM 0 HB3 LYS A 54 7.900 -34.486 -6.391 1.00 44.33 H new ATOM 0 HG2 LYS A 54 6.235 -32.127 -5.565 1.00 23.33 H new ATOM 0 HG3 LYS A 54 5.520 -33.305 -6.648 1.00 23.33 H new ATOM 0 HD2 LYS A 54 6.596 -35.006 -4.831 1.00 61.34 H new ATOM 0 HD3 LYS A 54 6.369 -33.612 -3.794 1.00 61.34 H new ATOM 0 HE2 LYS A 54 4.303 -34.618 -3.547 1.00 22.21 H new ATOM 0 HE3 LYS A 54 3.953 -33.555 -4.896 1.00 22.21 H new ATOM 0 HZ1 LYS A 54 3.155 -35.790 -5.312 1.00 53.12 H new ATOM 0 HZ2 LYS A 54 4.379 -35.396 -6.421 1.00 53.12 H new ATOM 0 HZ3 LYS A 54 4.718 -36.426 -5.114 1.00 53.12 H new ATOM 969 N ASN A 55 8.893 -32.591 -3.463 1.00 20.31 N ATOM 970 CA ASN A 55 9.271 -33.095 -2.147 1.00 73.32 C ATOM 971 C ASN A 55 8.039 -33.321 -1.277 1.00 73.33 C ATOM 972 O ASN A 55 7.026 -32.637 -1.425 1.00 50.21 O ATOM 973 CB ASN A 55 10.225 -32.117 -1.458 1.00 53.12 C ATOM 974 CG ASN A 55 11.334 -31.646 -2.377 1.00 51.13 C ATOM 975 OD1 ASN A 55 11.487 -30.448 -2.619 1.00 33.41 O ATOM 976 ND2 ASN A 55 12.114 -32.588 -2.894 1.00 73.15 N ATOM 0 H ASN A 55 8.351 -31.727 -3.444 1.00 20.31 H new ATOM 0 HA ASN A 55 9.778 -34.051 -2.283 1.00 73.32 H new ATOM 0 HB2 ASN A 55 9.662 -31.255 -1.102 1.00 53.12 H new ATOM 0 HB3 ASN A 55 10.662 -32.596 -0.582 1.00 53.12 H new ATOM 0 HD21 ASN A 55 12.877 -32.331 -3.520 1.00 73.15 H new ATOM 0 HD22 ASN A 55 11.950 -33.568 -2.665 1.00 73.15 H new ATOM 983 N LYS A 56 8.131 -34.286 -0.369 1.00 32.33 N ATOM 984 CA LYS A 56 7.026 -34.603 0.527 1.00 3.34 C ATOM 985 C LYS A 56 6.760 -33.451 1.492 1.00 31.43 C ATOM 986 O LYS A 56 7.686 -32.905 2.090 1.00 62.33 O ATOM 987 CB LYS A 56 7.329 -35.881 1.314 1.00 25.51 C ATOM 988 CG LYS A 56 6.153 -36.837 1.397 1.00 32.44 C ATOM 989 CD LYS A 56 6.614 -38.269 1.613 1.00 12.24 C ATOM 990 CE LYS A 56 6.773 -39.009 0.294 1.00 31.44 C ATOM 991 NZ LYS A 56 5.458 -39.322 -0.329 1.00 53.31 N ATOM 0 H LYS A 56 8.961 -34.863 -0.234 1.00 32.33 H new ATOM 0 HA LYS A 56 6.134 -34.760 -0.080 1.00 3.34 H new ATOM 0 HB2 LYS A 56 8.171 -36.393 0.848 1.00 25.51 H new ATOM 0 HB3 LYS A 56 7.639 -35.611 2.324 1.00 25.51 H new ATOM 0 HG2 LYS A 56 5.496 -36.538 2.214 1.00 32.44 H new ATOM 0 HG3 LYS A 56 5.568 -36.776 0.479 1.00 32.44 H new ATOM 0 HD2 LYS A 56 7.563 -38.270 2.148 1.00 12.24 H new ATOM 0 HD3 LYS A 56 5.894 -38.793 2.241 1.00 12.24 H new ATOM 0 HE2 LYS A 56 7.365 -38.404 -0.393 1.00 31.44 H new ATOM 0 HE3 LYS A 56 7.325 -39.934 0.461 1.00 31.44 H new ATOM 0 HZ1 LYS A 56 5.581 -40.070 -1.041 1.00 53.31 H new ATOM 0 HZ2 LYS A 56 4.795 -39.647 0.404 1.00 53.31 H new ATOM 0 HZ3 LYS A 56 5.078 -38.468 -0.785 1.00 53.31 H new ATOM 1005 N ASN A 57 5.490 -33.089 1.638 1.00 70.23 N ATOM 1006 CA ASN A 57 5.104 -32.002 2.531 1.00 55.12 C ATOM 1007 C ASN A 57 4.257 -32.524 3.688 1.00 60.23 C ATOM 1008 O ASN A 57 4.219 -31.926 4.763 1.00 40.42 O ATOM 1009 CB ASN A 57 4.329 -30.932 1.759 1.00 41.14 C ATOM 1010 CG ASN A 57 3.441 -31.524 0.682 1.00 1.14 C ATOM 1011 OD1 ASN A 57 3.919 -31.939 -0.374 1.00 64.31 O ATOM 1012 ND2 ASN A 57 2.140 -31.567 0.946 1.00 74.14 N ATOM 0 H ASN A 57 4.711 -33.532 1.150 1.00 70.23 H new ATOM 0 HA ASN A 57 6.013 -31.560 2.940 1.00 55.12 H new ATOM 0 HB2 ASN A 57 3.717 -30.358 2.455 1.00 41.14 H new ATOM 0 HB3 ASN A 57 5.033 -30.236 1.303 1.00 41.14 H new ATOM 0 HD21 ASN A 57 1.493 -31.956 0.260 1.00 74.14 H new ATOM 0 HD22 ASN A 57 1.788 -31.211 1.835 1.00 74.14 H new ATOM 1019 N LYS A 58 3.578 -33.643 3.459 1.00 31.33 N ATOM 1020 CA LYS A 58 2.733 -34.249 4.482 1.00 50.12 C ATOM 1021 C LYS A 58 1.614 -33.299 4.894 1.00 1.52 C ATOM 1022 O LYS A 58 1.338 -33.128 6.082 1.00 54.12 O ATOM 1023 CB LYS A 58 3.571 -34.630 5.705 1.00 75.14 C ATOM 1024 CG LYS A 58 2.938 -35.714 6.560 1.00 24.01 C ATOM 1025 CD LYS A 58 3.765 -35.995 7.804 1.00 33.54 C ATOM 1026 CE LYS A 58 4.882 -36.989 7.519 1.00 51.45 C ATOM 1027 NZ LYS A 58 5.862 -37.058 8.637 1.00 1.11 N ATOM 0 H LYS A 58 3.596 -34.149 2.574 1.00 31.33 H new ATOM 0 HA LYS A 58 2.285 -35.150 4.062 1.00 50.12 H new ATOM 0 HB2 LYS A 58 4.552 -34.968 5.372 1.00 75.14 H new ATOM 0 HB3 LYS A 58 3.730 -33.742 6.317 1.00 75.14 H new ATOM 0 HG2 LYS A 58 1.933 -35.409 6.851 1.00 24.01 H new ATOM 0 HG3 LYS A 58 2.837 -36.628 5.975 1.00 24.01 H new ATOM 0 HD2 LYS A 58 4.192 -35.064 8.176 1.00 33.54 H new ATOM 0 HD3 LYS A 58 3.120 -36.387 8.590 1.00 33.54 H new ATOM 0 HE2 LYS A 58 4.454 -37.977 7.350 1.00 51.45 H new ATOM 0 HE3 LYS A 58 5.397 -36.703 6.602 1.00 51.45 H new ATOM 0 HZ1 LYS A 58 6.607 -37.746 8.404 1.00 1.11 H new ATOM 0 HZ2 LYS A 58 6.289 -36.121 8.782 1.00 1.11 H new ATOM 0 HZ3 LYS A 58 5.376 -37.355 9.507 1.00 1.11 H new ATOM 1041 N ALA A 59 0.973 -32.683 3.907 1.00 40.32 N ATOM 1042 CA ALA A 59 -0.119 -31.752 4.169 1.00 32.51 C ATOM 1043 C ALA A 59 -1.353 -32.484 4.685 1.00 13.24 C ATOM 1044 O ALA A 59 -1.481 -33.697 4.518 1.00 25.22 O ATOM 1045 CB ALA A 59 -0.457 -30.969 2.909 1.00 44.33 C ATOM 0 H ALA A 59 1.190 -32.811 2.919 1.00 40.32 H new ATOM 0 HA ALA A 59 0.207 -31.055 4.941 1.00 32.51 H new ATOM 0 HB1 ALA A 59 -1.273 -30.278 3.118 1.00 44.33 H new ATOM 0 HB2 ALA A 59 0.419 -30.408 2.583 1.00 44.33 H new ATOM 0 HB3 ALA A 59 -0.759 -31.660 2.122 1.00 44.33 H new ATOM 1051 N GLU A 60 -2.258 -31.740 5.314 1.00 74.43 N ATOM 1052 CA GLU A 60 -3.480 -32.321 5.855 1.00 51.14 C ATOM 1053 C GLU A 60 -4.518 -32.529 4.755 1.00 23.31 C ATOM 1054 O GLU A 60 -4.955 -33.652 4.506 1.00 55.34 O ATOM 1055 CB GLU A 60 -4.056 -31.422 6.951 1.00 1.12 C ATOM 1056 CG GLU A 60 -3.025 -30.970 7.971 1.00 1.44 C ATOM 1057 CD GLU A 60 -2.397 -32.129 8.720 1.00 32.21 C ATOM 1058 OE1 GLU A 60 -3.034 -32.642 9.664 1.00 43.12 O ATOM 1059 OE2 GLU A 60 -1.268 -32.526 8.360 1.00 4.30 O ATOM 0 H GLU A 60 -2.167 -30.735 5.461 1.00 74.43 H new ATOM 0 HA GLU A 60 -3.231 -33.292 6.284 1.00 51.14 H new ATOM 0 HB2 GLU A 60 -4.507 -30.544 6.489 1.00 1.12 H new ATOM 0 HB3 GLU A 60 -4.854 -31.957 7.466 1.00 1.12 H new ATOM 0 HG2 GLU A 60 -2.243 -30.403 7.465 1.00 1.44 H new ATOM 0 HG3 GLU A 60 -3.497 -30.295 8.684 1.00 1.44 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.059 12.869 -4.660 1.00 50.31 ZN