USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 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= -0.133 X(o=-0.13,f=0.0065) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -148:sc= -0.0494 (180deg=-0.746) USER MOD Single : A 7 LYS NZ :NH3+ -119:sc= -0.579 (180deg=-3.8!) 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+ 170:sc= -0.0651 (180deg=-0.125) 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= -0.148 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.0164 (180deg=-0.131) 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 -174:sc= -2.31 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 99:sc= 0.53 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -0.0871 (180deg=-0.491) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc=-0.00263 (180deg=-0.144) USER MOD Single : A 55 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.5!) USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.59) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.852) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 22.113 1.718 1.509 1.00 74.02 N ATOM 2 CA GLY A -2 21.611 0.487 2.093 1.00 25.21 C ATOM 3 C GLY A -2 20.322 0.693 2.862 1.00 11.31 C ATOM 4 O GLY A -2 19.958 -0.124 3.707 1.00 11.45 O ATOM 0 H1 GLY A -2 23.073 1.562 1.141 1.00 74.02 H new ATOM 0 H2 GLY A -2 21.489 2.013 0.732 1.00 74.02 H new ATOM 0 H3 GLY A -2 22.137 2.462 2.235 1.00 74.02 H new ATOM 0 HA2 GLY A -2 21.446 -0.245 1.303 1.00 25.21 H new ATOM 0 HA3 GLY A -2 22.366 0.071 2.760 1.00 25.21 H new ATOM 8 N SER A -1 19.629 1.790 2.571 1.00 32.33 N ATOM 9 CA SER A -1 18.375 2.104 3.247 1.00 22.52 C ATOM 10 C SER A -1 17.231 2.214 2.243 1.00 3.43 C ATOM 11 O SER A -1 16.263 2.941 2.466 1.00 33.32 O ATOM 12 CB SER A -1 18.508 3.411 4.031 1.00 15.53 C ATOM 13 OG SER A -1 19.751 3.474 4.709 1.00 44.50 O ATOM 0 H SER A -1 19.915 2.476 1.872 1.00 32.33 H new ATOM 0 HA SER A -1 18.151 1.294 3.941 1.00 22.52 H new ATOM 0 HB2 SER A -1 18.418 4.258 3.351 1.00 15.53 H new ATOM 0 HB3 SER A -1 17.693 3.492 4.750 1.00 15.53 H new ATOM 0 HG SER A -1 19.813 4.319 5.201 1.00 44.50 H new ATOM 19 N HIS A 0 17.351 1.486 1.138 1.00 55.02 N ATOM 20 CA HIS A 0 16.326 1.501 0.099 1.00 74.23 C ATOM 21 C HIS A 0 15.839 0.087 -0.203 1.00 35.42 C ATOM 22 O HIS A 0 14.640 -0.149 -0.352 1.00 30.14 O ATOM 23 CB HIS A 0 16.870 2.148 -1.175 1.00 11.13 C ATOM 24 CG HIS A 0 16.989 3.638 -1.085 1.00 50.04 C ATOM 25 ND1 HIS A 0 17.729 4.389 -1.974 1.00 1.14 N ATOM 26 CD2 HIS A 0 16.453 4.518 -0.207 1.00 60.12 C ATOM 27 CE1 HIS A 0 17.646 5.666 -1.644 1.00 11.14 C ATOM 28 NE2 HIS A 0 16.877 5.771 -0.575 1.00 34.31 N ATOM 0 H HIS A 0 18.146 0.879 0.938 1.00 55.02 H new ATOM 0 HA HIS A 0 15.483 2.088 0.464 1.00 74.23 H new ATOM 0 HB2 HIS A 0 17.850 1.726 -1.397 1.00 11.13 H new ATOM 0 HB3 HIS A 0 16.217 1.893 -2.010 1.00 11.13 H new ATOM 0 HD2 HIS A 0 15.811 4.279 0.628 1.00 60.12 H new ATOM 0 HE1 HIS A 0 18.125 6.485 -2.160 1.00 11.14 H new ATOM 0 HE2 HIS A 0 16.637 6.641 -0.100 1.00 34.31 H new ATOM 36 N MET A 1 16.777 -0.851 -0.293 1.00 23.42 N ATOM 37 CA MET A 1 16.443 -2.242 -0.577 1.00 50.12 C ATOM 38 C MET A 1 15.591 -2.835 0.540 1.00 42.41 C ATOM 39 O MET A 1 14.799 -3.749 0.312 1.00 53.32 O ATOM 40 CB MET A 1 17.717 -3.069 -0.756 1.00 21.22 C ATOM 41 CG MET A 1 18.305 -2.983 -2.156 1.00 55.02 C ATOM 42 SD MET A 1 19.315 -1.509 -2.396 1.00 32.01 S ATOM 43 CE MET A 1 20.954 -2.230 -2.472 1.00 74.04 C ATOM 0 H MET A 1 17.774 -0.673 -0.173 1.00 23.42 H new ATOM 0 HA MET A 1 15.868 -2.270 -1.503 1.00 50.12 H new ATOM 0 HB2 MET A 1 18.463 -2.733 -0.036 1.00 21.22 H new ATOM 0 HB3 MET A 1 17.499 -4.112 -0.526 1.00 21.22 H new ATOM 0 HG2 MET A 1 18.911 -3.869 -2.346 1.00 55.02 H new ATOM 0 HG3 MET A 1 17.496 -2.987 -2.886 1.00 55.02 H new ATOM 0 HE1 MET A 1 21.692 -1.441 -2.618 1.00 74.04 H new ATOM 0 HE2 MET A 1 21.164 -2.755 -1.540 1.00 74.04 H new ATOM 0 HE3 MET A 1 21.004 -2.933 -3.304 1.00 74.04 H new ATOM 53 N VAL A 2 15.759 -2.310 1.750 1.00 65.33 N ATOM 54 CA VAL A 2 15.005 -2.787 2.902 1.00 13.42 C ATOM 55 C VAL A 2 13.741 -1.961 3.112 1.00 11.04 C ATOM 56 O VAL A 2 13.467 -1.025 2.361 1.00 14.23 O ATOM 57 CB VAL A 2 15.854 -2.742 4.186 1.00 41.40 C ATOM 58 CG1 VAL A 2 16.993 -3.746 4.109 1.00 23.45 C ATOM 59 CG2 VAL A 2 16.386 -1.336 4.424 1.00 64.21 C ATOM 0 H VAL A 2 16.411 -1.554 1.957 1.00 65.33 H new ATOM 0 HA VAL A 2 14.729 -3.821 2.694 1.00 13.42 H new ATOM 0 HB VAL A 2 15.220 -3.013 5.030 1.00 41.40 H new ATOM 0 HG11 VAL A 2 17.582 -3.699 5.025 1.00 23.45 H new ATOM 0 HG12 VAL A 2 16.586 -4.750 3.990 1.00 23.45 H new ATOM 0 HG13 VAL A 2 17.630 -3.509 3.256 1.00 23.45 H new ATOM 0 HG21 VAL A 2 16.984 -1.323 5.335 1.00 64.21 H new ATOM 0 HG22 VAL A 2 17.005 -1.033 3.580 1.00 64.21 H new ATOM 0 HG23 VAL A 2 15.551 -0.644 4.528 1.00 64.21 H new ATOM 69 N GLU A 3 12.975 -2.313 4.140 1.00 11.40 N ATOM 70 CA GLU A 3 11.738 -1.603 4.449 1.00 24.15 C ATOM 71 C GLU A 3 10.762 -1.678 3.279 1.00 54.43 C ATOM 72 O GLU A 3 9.943 -0.781 3.081 1.00 21.15 O ATOM 73 CB GLU A 3 12.035 -0.140 4.787 1.00 73.32 C ATOM 74 CG GLU A 3 13.211 0.039 5.731 1.00 45.31 C ATOM 75 CD GLU A 3 13.371 1.474 6.198 1.00 32.33 C ATOM 76 OE1 GLU A 3 13.629 2.350 5.346 1.00 51.11 O ATOM 77 OE2 GLU A 3 13.237 1.719 7.415 1.00 11.23 O ATOM 0 H GLU A 3 13.188 -3.084 4.772 1.00 11.40 H new ATOM 0 HA GLU A 3 11.279 -2.082 5.314 1.00 24.15 H new ATOM 0 HB2 GLU A 3 12.235 0.404 3.864 1.00 73.32 H new ATOM 0 HB3 GLU A 3 11.148 0.308 5.236 1.00 73.32 H new ATOM 0 HG2 GLU A 3 13.078 -0.609 6.598 1.00 45.31 H new ATOM 0 HG3 GLU A 3 14.125 -0.281 5.231 1.00 45.31 H new ATOM 84 N MET A 4 10.855 -2.756 2.506 1.00 43.32 N ATOM 85 CA MET A 4 9.979 -2.948 1.356 1.00 15.33 C ATOM 86 C MET A 4 8.513 -2.901 1.776 1.00 75.04 C ATOM 87 O MET A 4 7.636 -2.597 0.966 1.00 5.52 O ATOM 88 CB MET A 4 10.284 -4.284 0.675 1.00 74.54 C ATOM 89 CG MET A 4 11.727 -4.418 0.219 1.00 62.41 C ATOM 90 SD MET A 4 11.975 -3.857 -1.476 1.00 62.50 S ATOM 91 CE MET A 4 11.946 -5.416 -2.358 1.00 10.44 C ATOM 0 H MET A 4 11.527 -3.509 2.655 1.00 43.32 H new ATOM 0 HA MET A 4 10.162 -2.138 0.650 1.00 15.33 H new ATOM 0 HB2 MET A 4 10.053 -5.095 1.365 1.00 74.54 H new ATOM 0 HB3 MET A 4 9.627 -4.402 -0.187 1.00 74.54 H new ATOM 0 HG2 MET A 4 12.369 -3.843 0.886 1.00 62.41 H new ATOM 0 HG3 MET A 4 12.035 -5.460 0.301 1.00 62.41 H new ATOM 0 HE1 MET A 4 12.087 -5.234 -3.423 1.00 10.44 H new ATOM 0 HE2 MET A 4 12.747 -6.057 -1.990 1.00 10.44 H new ATOM 0 HE3 MET A 4 10.986 -5.907 -2.198 1.00 10.44 H new ATOM 101 N ARG A 5 8.254 -3.206 3.043 1.00 23.13 N ATOM 102 CA ARG A 5 6.894 -3.199 3.568 1.00 11.14 C ATOM 103 C ARG A 5 6.245 -1.831 3.380 1.00 4.00 C ATOM 104 O ARG A 5 5.021 -1.715 3.333 1.00 63.42 O ATOM 105 CB ARG A 5 6.895 -3.576 5.051 1.00 61.01 C ATOM 106 CG ARG A 5 7.723 -2.640 5.916 1.00 51.14 C ATOM 107 CD ARG A 5 7.378 -2.792 7.389 1.00 52.32 C ATOM 108 NE ARG A 5 8.307 -3.682 8.080 1.00 55.24 N ATOM 109 CZ ARG A 5 8.451 -3.713 9.400 1.00 32.24 C ATOM 110 NH1 ARG A 5 7.730 -2.908 10.168 1.00 13.42 N ATOM 111 NH2 ARG A 5 9.317 -4.551 9.955 1.00 31.43 N ATOM 0 H ARG A 5 8.968 -3.461 3.725 1.00 23.13 H new ATOM 0 HA ARG A 5 6.314 -3.936 3.013 1.00 11.14 H new ATOM 0 HB2 ARG A 5 5.868 -3.582 5.417 1.00 61.01 H new ATOM 0 HB3 ARG A 5 7.278 -4.591 5.159 1.00 61.01 H new ATOM 0 HG2 ARG A 5 8.783 -2.846 5.766 1.00 51.14 H new ATOM 0 HG3 ARG A 5 7.552 -1.609 5.606 1.00 51.14 H new ATOM 0 HD2 ARG A 5 7.391 -1.813 7.867 1.00 52.32 H new ATOM 0 HD3 ARG A 5 6.364 -3.181 7.486 1.00 52.32 H new ATOM 0 HE ARG A 5 8.877 -4.315 7.518 1.00 55.24 H new ATOM 0 HH11 ARG A 5 7.063 -2.263 9.745 1.00 13.42 H new ATOM 0 HH12 ARG A 5 7.843 -2.934 11.181 1.00 13.42 H new ATOM 0 HH21 ARG A 5 9.873 -5.172 9.368 1.00 31.43 H new ATOM 0 HH22 ARG A 5 9.427 -4.574 10.969 1.00 31.43 H new ATOM 125 N MET A 6 7.074 -0.798 3.276 1.00 20.44 N ATOM 126 CA MET A 6 6.582 0.562 3.092 1.00 4.40 C ATOM 127 C MET A 6 6.051 0.763 1.677 1.00 15.11 C ATOM 128 O MET A 6 5.923 -0.192 0.910 1.00 14.23 O ATOM 129 CB MET A 6 7.693 1.573 3.380 1.00 43.41 C ATOM 130 CG MET A 6 8.699 1.709 2.249 1.00 30.43 C ATOM 131 SD MET A 6 10.311 2.282 2.819 1.00 51.21 S ATOM 132 CE MET A 6 9.839 3.712 3.789 1.00 52.12 C ATOM 0 H MET A 6 8.090 -0.877 3.316 1.00 20.44 H new ATOM 0 HA MET A 6 5.764 0.722 3.794 1.00 4.40 H new ATOM 0 HB2 MET A 6 7.245 2.547 3.576 1.00 43.41 H new ATOM 0 HB3 MET A 6 8.217 1.275 4.288 1.00 43.41 H new ATOM 0 HG2 MET A 6 8.815 0.745 1.753 1.00 30.43 H new ATOM 0 HG3 MET A 6 8.312 2.406 1.505 1.00 30.43 H new ATOM 0 HE1 MET A 6 10.625 4.465 3.733 1.00 52.12 H new ATOM 0 HE2 MET A 6 8.910 4.127 3.397 1.00 52.12 H new ATOM 0 HE3 MET A 6 9.694 3.415 4.828 1.00 52.12 H new ATOM 142 N LYS A 7 5.743 2.009 1.336 1.00 51.21 N ATOM 143 CA LYS A 7 5.226 2.335 0.012 1.00 21.42 C ATOM 144 C LYS A 7 5.964 3.532 -0.581 1.00 14.40 C ATOM 145 O LYS A 7 6.847 4.107 0.056 1.00 52.23 O ATOM 146 CB LYS A 7 3.727 2.632 0.086 1.00 71.33 C ATOM 147 CG LYS A 7 3.346 3.561 1.226 1.00 35.32 C ATOM 148 CD LYS A 7 2.314 2.925 2.142 1.00 3.22 C ATOM 149 CE LYS A 7 1.025 2.611 1.398 1.00 23.35 C ATOM 150 NZ LYS A 7 -0.047 2.145 2.319 1.00 54.11 N ATOM 0 H LYS A 7 5.842 2.811 1.959 1.00 51.21 H new ATOM 0 HA LYS A 7 5.388 1.473 -0.636 1.00 21.42 H new ATOM 0 HB2 LYS A 7 3.406 3.076 -0.856 1.00 71.33 H new ATOM 0 HB3 LYS A 7 3.184 1.693 0.197 1.00 71.33 H new ATOM 0 HG2 LYS A 7 4.236 3.817 1.801 1.00 35.32 H new ATOM 0 HG3 LYS A 7 2.950 4.492 0.821 1.00 35.32 H new ATOM 0 HD2 LYS A 7 2.721 2.009 2.569 1.00 3.22 H new ATOM 0 HD3 LYS A 7 2.101 3.597 2.973 1.00 3.22 H new ATOM 0 HE2 LYS A 7 0.686 3.501 0.867 1.00 23.35 H new ATOM 0 HE3 LYS A 7 1.217 1.845 0.647 1.00 23.35 H new ATOM 0 HZ1 LYS A 7 -0.334 1.180 2.058 1.00 54.11 H new ATOM 0 HZ2 LYS A 7 0.309 2.147 3.296 1.00 54.11 H new ATOM 0 HZ3 LYS A 7 -0.867 2.781 2.248 1.00 54.11 H new ATOM 164 N LYS A 8 5.595 3.904 -1.802 1.00 55.22 N ATOM 165 CA LYS A 8 6.218 5.033 -2.479 1.00 22.20 C ATOM 166 C LYS A 8 5.198 5.796 -3.318 1.00 21.10 C ATOM 167 O LYS A 8 4.243 5.213 -3.833 1.00 10.15 O ATOM 168 CB LYS A 8 7.367 4.551 -3.369 1.00 51.24 C ATOM 169 CG LYS A 8 8.205 5.678 -3.945 1.00 24.40 C ATOM 170 CD LYS A 8 9.198 5.165 -4.975 1.00 42.43 C ATOM 171 CE LYS A 8 8.508 4.801 -6.280 1.00 74.02 C ATOM 172 NZ LYS A 8 9.374 3.956 -7.148 1.00 71.12 N ATOM 0 H LYS A 8 4.866 3.439 -2.343 1.00 55.22 H new ATOM 0 HA LYS A 8 6.613 5.706 -1.718 1.00 22.20 H new ATOM 0 HB2 LYS A 8 8.012 3.890 -2.789 1.00 51.24 H new ATOM 0 HB3 LYS A 8 6.957 3.959 -4.188 1.00 51.24 H new ATOM 0 HG2 LYS A 8 7.552 6.419 -4.406 1.00 24.40 H new ATOM 0 HG3 LYS A 8 8.741 6.182 -3.141 1.00 24.40 H new ATOM 0 HD2 LYS A 8 9.955 5.926 -5.162 1.00 42.43 H new ATOM 0 HD3 LYS A 8 9.715 4.291 -4.580 1.00 42.43 H new ATOM 0 HE2 LYS A 8 7.581 4.270 -6.065 1.00 74.02 H new ATOM 0 HE3 LYS A 8 8.237 5.712 -6.814 1.00 74.02 H new ATOM 0 HZ1 LYS A 8 8.868 3.729 -8.028 1.00 71.12 H new ATOM 0 HZ2 LYS A 8 10.248 4.472 -7.375 1.00 71.12 H new ATOM 0 HZ3 LYS A 8 9.612 3.075 -6.649 1.00 71.12 H new ATOM 186 N CYS A 9 5.406 7.100 -3.452 1.00 64.44 N ATOM 187 CA CYS A 9 4.504 7.943 -4.230 1.00 3.52 C ATOM 188 C CYS A 9 4.673 7.687 -5.724 1.00 63.01 C ATOM 189 O CYS A 9 5.733 7.925 -6.304 1.00 11.35 O ATOM 190 CB CYS A 9 4.758 9.419 -3.921 1.00 71.13 C ATOM 191 SG CYS A 9 3.591 10.550 -4.713 1.00 62.13 S ATOM 0 H CYS A 9 6.191 7.598 -3.032 1.00 64.44 H new ATOM 0 HA CYS A 9 3.481 7.692 -3.951 1.00 3.52 H new ATOM 0 HB2 CYS A 9 4.714 9.566 -2.842 1.00 71.13 H new ATOM 0 HB3 CYS A 9 5.769 9.677 -4.237 1.00 71.13 H new ATOM 196 N PRO A 10 3.605 7.189 -6.364 1.00 63.02 N ATOM 197 CA PRO A 10 3.610 6.889 -7.799 1.00 3.14 C ATOM 198 C PRO A 10 3.659 8.151 -8.654 1.00 74.23 C ATOM 199 O PRO A 10 3.779 8.079 -9.878 1.00 33.55 O ATOM 200 CB PRO A 10 2.288 6.149 -8.011 1.00 62.22 C ATOM 201 CG PRO A 10 1.405 6.627 -6.910 1.00 55.43 C ATOM 202 CD PRO A 10 2.309 6.883 -5.736 1.00 72.22 C ATOM 0 HA PRO A 10 4.488 6.313 -8.093 1.00 3.14 H new ATOM 0 HB2 PRO A 10 1.860 6.375 -8.988 1.00 62.22 H new ATOM 0 HB3 PRO A 10 2.427 5.069 -7.966 1.00 62.22 H new ATOM 0 HG2 PRO A 10 0.876 7.535 -7.200 1.00 55.43 H new ATOM 0 HG3 PRO A 10 0.649 5.882 -6.665 1.00 55.43 H new ATOM 0 HD2 PRO A 10 1.951 7.713 -5.127 1.00 72.22 H new ATOM 0 HD3 PRO A 10 2.375 6.013 -5.082 1.00 72.22 H new ATOM 210 N LYS A 11 3.563 9.305 -8.004 1.00 43.22 N ATOM 211 CA LYS A 11 3.597 10.583 -8.705 1.00 32.11 C ATOM 212 C LYS A 11 5.011 11.157 -8.723 1.00 13.12 C ATOM 213 O LYS A 11 5.493 11.612 -9.761 1.00 24.01 O ATOM 214 CB LYS A 11 2.641 11.578 -8.043 1.00 12.11 C ATOM 215 CG LYS A 11 1.433 11.921 -8.898 1.00 3.34 C ATOM 216 CD LYS A 11 0.608 10.687 -9.220 1.00 3.12 C ATOM 217 CE LYS A 11 -0.871 11.020 -9.336 1.00 62.34 C ATOM 218 NZ LYS A 11 -1.729 9.833 -9.070 1.00 51.33 N ATOM 0 H LYS A 11 3.461 9.382 -6.992 1.00 43.22 H new ATOM 0 HA LYS A 11 3.279 10.412 -9.734 1.00 32.11 H new ATOM 0 HB2 LYS A 11 2.299 11.164 -7.094 1.00 12.11 H new ATOM 0 HB3 LYS A 11 3.185 12.494 -7.813 1.00 12.11 H new ATOM 0 HG2 LYS A 11 0.812 12.649 -8.376 1.00 3.34 H new ATOM 0 HG3 LYS A 11 1.764 12.390 -9.825 1.00 3.34 H new ATOM 0 HD2 LYS A 11 0.958 10.248 -10.154 1.00 3.12 H new ATOM 0 HD3 LYS A 11 0.753 9.938 -8.442 1.00 3.12 H new ATOM 0 HE2 LYS A 11 -1.121 11.814 -8.632 1.00 62.34 H new ATOM 0 HE3 LYS A 11 -1.080 11.403 -10.335 1.00 62.34 H new ATOM 0 HZ1 LYS A 11 -2.730 10.101 -9.159 1.00 51.33 H new ATOM 0 HZ2 LYS A 11 -1.509 9.084 -9.758 1.00 51.33 H new ATOM 0 HZ3 LYS A 11 -1.549 9.483 -8.107 1.00 51.33 H new ATOM 232 N CYS A 12 5.670 11.128 -7.570 1.00 72.13 N ATOM 233 CA CYS A 12 7.030 11.645 -7.453 1.00 74.24 C ATOM 234 C CYS A 12 8.035 10.505 -7.331 1.00 12.25 C ATOM 235 O CYS A 12 8.971 10.400 -8.121 1.00 61.23 O ATOM 236 CB CYS A 12 7.143 12.573 -6.245 1.00 42.34 C ATOM 237 SG CYS A 12 5.742 13.700 -6.046 1.00 42.32 S ATOM 0 H CYS A 12 5.286 10.752 -6.703 1.00 72.13 H new ATOM 0 HA CYS A 12 7.257 12.210 -8.357 1.00 74.24 H new ATOM 0 HB2 CYS A 12 7.240 11.968 -5.343 1.00 42.34 H new ATOM 0 HB3 CYS A 12 8.057 13.159 -6.335 1.00 42.34 H new ATOM 242 N GLY A 13 7.836 9.652 -6.329 1.00 53.13 N ATOM 243 CA GLY A 13 8.734 8.532 -6.119 1.00 72.34 C ATOM 244 C GLY A 13 9.399 8.570 -4.758 1.00 11.33 C ATOM 245 O GLY A 13 10.516 8.078 -4.590 1.00 35.11 O ATOM 0 H GLY A 13 7.069 9.718 -5.660 1.00 53.13 H new ATOM 0 HA2 GLY A 13 8.178 7.600 -6.222 1.00 72.34 H new ATOM 0 HA3 GLY A 13 9.500 8.534 -6.894 1.00 72.34 H new ATOM 249 N LEU A 14 8.714 9.156 -3.782 1.00 51.21 N ATOM 250 CA LEU A 14 9.245 9.258 -2.428 1.00 24.34 C ATOM 251 C LEU A 14 8.759 8.099 -1.564 1.00 2.25 C ATOM 252 O LEU A 14 7.572 7.772 -1.556 1.00 21.12 O ATOM 253 CB LEU A 14 8.832 10.589 -1.796 1.00 31.43 C ATOM 254 CG LEU A 14 8.795 10.624 -0.268 1.00 55.10 C ATOM 255 CD1 LEU A 14 10.177 10.355 0.307 1.00 54.33 C ATOM 256 CD2 LEU A 14 8.261 11.962 0.223 1.00 33.54 C ATOM 0 H LEU A 14 7.789 9.568 -3.904 1.00 51.21 H new ATOM 0 HA LEU A 14 10.333 9.212 -2.486 1.00 24.34 H new ATOM 0 HB2 LEU A 14 9.520 11.361 -2.140 1.00 31.43 H new ATOM 0 HB3 LEU A 14 7.843 10.854 -2.170 1.00 31.43 H new ATOM 0 HG LEU A 14 8.122 9.839 0.077 1.00 55.10 H new ATOM 0 HD11 LEU A 14 10.130 10.384 1.396 1.00 54.33 H new ATOM 0 HD12 LEU A 14 10.520 9.372 -0.015 1.00 54.33 H new ATOM 0 HD13 LEU A 14 10.873 11.116 -0.047 1.00 54.33 H new ATOM 0 HD21 LEU A 14 8.242 11.968 1.313 1.00 33.54 H new ATOM 0 HD22 LEU A 14 8.907 12.764 -0.133 1.00 33.54 H new ATOM 0 HD23 LEU A 14 7.251 12.113 -0.158 1.00 33.54 H new ATOM 268 N TYR A 15 9.684 7.485 -0.834 1.00 50.42 N ATOM 269 CA TYR A 15 9.350 6.362 0.035 1.00 43.45 C ATOM 270 C TYR A 15 8.848 6.852 1.390 1.00 45.33 C ATOM 271 O TYR A 15 9.318 7.864 1.911 1.00 12.42 O ATOM 272 CB TYR A 15 10.569 5.458 0.227 1.00 44.02 C ATOM 273 CG TYR A 15 10.753 4.447 -0.882 1.00 71.11 C ATOM 274 CD1 TYR A 15 10.140 3.201 -0.822 1.00 61.14 C ATOM 275 CD2 TYR A 15 11.540 4.736 -1.990 1.00 4.11 C ATOM 276 CE1 TYR A 15 10.306 2.274 -1.833 1.00 41.11 C ATOM 277 CE2 TYR A 15 11.711 3.816 -3.005 1.00 61.44 C ATOM 278 CZ TYR A 15 11.092 2.586 -2.922 1.00 53.22 C ATOM 279 OH TYR A 15 11.260 1.666 -3.932 1.00 21.01 O ATOM 0 H TYR A 15 10.670 7.746 -0.827 1.00 50.42 H new ATOM 0 HA TYR A 15 8.554 5.791 -0.442 1.00 43.45 H new ATOM 0 HB2 TYR A 15 11.463 6.077 0.295 1.00 44.02 H new ATOM 0 HB3 TYR A 15 10.474 4.931 1.176 1.00 44.02 H new ATOM 0 HD1 TYR A 15 9.523 2.953 0.029 1.00 61.14 H new ATOM 0 HD2 TYR A 15 12.027 5.698 -2.058 1.00 4.11 H new ATOM 0 HE1 TYR A 15 9.823 1.310 -1.771 1.00 41.11 H new ATOM 0 HE2 TYR A 15 12.326 4.058 -3.859 1.00 61.44 H new ATOM 0 HH TYR A 15 11.841 2.043 -4.625 1.00 21.01 H new ATOM 289 N THR A 16 7.889 6.126 1.956 1.00 50.32 N ATOM 290 CA THR A 16 7.321 6.485 3.250 1.00 62.31 C ATOM 291 C THR A 16 6.338 5.425 3.732 1.00 4.14 C ATOM 292 O THR A 16 6.039 4.468 3.016 1.00 23.43 O ATOM 293 CB THR A 16 6.602 7.846 3.189 1.00 65.11 C ATOM 294 OG1 THR A 16 6.203 8.248 4.505 1.00 71.14 O ATOM 295 CG2 THR A 16 5.382 7.774 2.284 1.00 53.13 C ATOM 0 H THR A 16 7.489 5.286 1.539 1.00 50.32 H new ATOM 0 HA THR A 16 8.152 6.552 3.953 1.00 62.31 H new ATOM 0 HB THR A 16 7.295 8.580 2.779 1.00 65.11 H new ATOM 0 HG1 THR A 16 5.748 9.115 4.458 1.00 71.14 H new ATOM 0 HG21 THR A 16 4.891 8.747 2.257 1.00 53.13 H new ATOM 0 HG22 THR A 16 5.692 7.496 1.277 1.00 53.13 H new ATOM 0 HG23 THR A 16 4.687 7.028 2.669 1.00 53.13 H new ATOM 303 N LEU A 17 5.837 5.601 4.950 1.00 40.31 N ATOM 304 CA LEU A 17 4.886 4.658 5.529 1.00 50.23 C ATOM 305 C LEU A 17 3.616 5.374 5.980 1.00 73.22 C ATOM 306 O LEU A 17 2.710 4.758 6.543 1.00 64.41 O ATOM 307 CB LEU A 17 5.519 3.925 6.712 1.00 35.00 C ATOM 308 CG LEU A 17 6.644 2.947 6.371 1.00 33.41 C ATOM 309 CD1 LEU A 17 7.733 2.996 7.430 1.00 24.43 C ATOM 310 CD2 LEU A 17 6.098 1.533 6.229 1.00 41.41 C ATOM 0 H LEU A 17 6.073 6.387 5.555 1.00 40.31 H new ATOM 0 HA LEU A 17 4.619 3.932 4.761 1.00 50.23 H new ATOM 0 HB2 LEU A 17 5.909 4.668 7.408 1.00 35.00 H new ATOM 0 HB3 LEU A 17 4.735 3.378 7.236 1.00 35.00 H new ATOM 0 HG LEU A 17 7.080 3.244 5.417 1.00 33.41 H new ATOM 0 HD11 LEU A 17 8.525 2.293 7.170 1.00 24.43 H new ATOM 0 HD12 LEU A 17 8.145 4.004 7.482 1.00 24.43 H new ATOM 0 HD13 LEU A 17 7.311 2.726 8.398 1.00 24.43 H new ATOM 0 HD21 LEU A 17 6.913 0.851 5.986 1.00 41.41 H new ATOM 0 HD22 LEU A 17 5.635 1.226 7.167 1.00 41.41 H new ATOM 0 HD23 LEU A 17 5.355 1.508 5.432 1.00 41.41 H new ATOM 322 N LYS A 18 3.557 6.677 5.728 1.00 51.40 N ATOM 323 CA LYS A 18 2.398 7.478 6.105 1.00 54.34 C ATOM 324 C LYS A 18 1.259 7.290 5.107 1.00 4.22 C ATOM 325 O LYS A 18 0.183 7.863 5.267 1.00 53.52 O ATOM 326 CB LYS A 18 2.779 8.957 6.187 1.00 11.22 C ATOM 327 CG LYS A 18 4.013 9.222 7.033 1.00 54.41 C ATOM 328 CD LYS A 18 3.857 8.660 8.437 1.00 24.13 C ATOM 329 CE LYS A 18 2.690 9.305 9.168 1.00 22.22 C ATOM 330 NZ LYS A 18 2.907 10.763 9.383 1.00 10.23 N ATOM 0 H LYS A 18 4.299 7.201 5.264 1.00 51.40 H new ATOM 0 HA LYS A 18 2.059 7.142 7.085 1.00 54.34 H new ATOM 0 HB2 LYS A 18 2.952 9.335 5.179 1.00 11.22 H new ATOM 0 HB3 LYS A 18 1.940 9.517 6.599 1.00 11.22 H new ATOM 0 HG2 LYS A 18 4.885 8.775 6.556 1.00 54.41 H new ATOM 0 HG3 LYS A 18 4.194 10.295 7.088 1.00 54.41 H new ATOM 0 HD2 LYS A 18 3.704 7.582 8.384 1.00 24.13 H new ATOM 0 HD3 LYS A 18 4.776 8.824 9.000 1.00 24.13 H new ATOM 0 HE2 LYS A 18 1.775 9.155 8.595 1.00 22.22 H new ATOM 0 HE3 LYS A 18 2.548 8.813 10.130 1.00 22.22 H new ATOM 0 HZ1 LYS A 18 2.178 11.131 10.027 1.00 10.23 H new ATOM 0 HZ2 LYS A 18 3.847 10.916 9.801 1.00 10.23 H new ATOM 0 HZ3 LYS A 18 2.848 11.261 8.472 1.00 10.23 H new ATOM 344 N GLU A 19 1.506 6.484 4.080 1.00 55.54 N ATOM 345 CA GLU A 19 0.499 6.221 3.058 1.00 30.41 C ATOM 346 C GLU A 19 0.176 7.490 2.274 1.00 50.20 C ATOM 347 O GLU A 19 -0.754 7.513 1.467 1.00 62.23 O ATOM 348 CB GLU A 19 -0.775 5.663 3.696 1.00 63.33 C ATOM 349 CG GLU A 19 -0.526 4.483 4.620 1.00 4.43 C ATOM 350 CD GLU A 19 -1.645 3.462 4.576 1.00 74.05 C ATOM 351 OE1 GLU A 19 -2.802 3.860 4.327 1.00 52.13 O ATOM 352 OE2 GLU A 19 -1.365 2.264 4.790 1.00 35.13 O ATOM 0 H GLU A 19 2.393 6.002 3.933 1.00 55.54 H new ATOM 0 HA GLU A 19 0.904 5.481 2.367 1.00 30.41 H new ATOM 0 HB2 GLU A 19 -1.267 6.456 4.258 1.00 63.33 H new ATOM 0 HB3 GLU A 19 -1.463 5.357 2.907 1.00 63.33 H new ATOM 0 HG2 GLU A 19 0.412 4.001 4.343 1.00 4.43 H new ATOM 0 HG3 GLU A 19 -0.409 4.845 5.642 1.00 4.43 H new ATOM 359 N ILE A 20 0.948 8.542 2.518 1.00 25.45 N ATOM 360 CA ILE A 20 0.745 9.814 1.836 1.00 34.44 C ATOM 361 C ILE A 20 2.076 10.500 1.542 1.00 53.21 C ATOM 362 O ILE A 20 3.023 10.397 2.322 1.00 21.32 O ATOM 363 CB ILE A 20 -0.136 10.764 2.668 1.00 40.34 C ATOM 364 CG1 ILE A 20 -1.491 10.115 2.959 1.00 40.01 C ATOM 365 CG2 ILE A 20 -0.322 12.087 1.941 1.00 41.34 C ATOM 366 CD1 ILE A 20 -2.370 9.977 1.736 1.00 24.14 C ATOM 0 H ILE A 20 1.721 8.539 3.184 1.00 25.45 H new ATOM 0 HA ILE A 20 0.239 9.591 0.897 1.00 34.44 H new ATOM 0 HB ILE A 20 0.363 10.960 3.617 1.00 40.34 H new ATOM 0 HG12 ILE A 20 -1.327 9.128 3.391 1.00 40.01 H new ATOM 0 HG13 ILE A 20 -2.015 10.708 3.708 1.00 40.01 H new ATOM 0 HG21 ILE A 20 -0.947 12.748 2.542 1.00 41.34 H new ATOM 0 HG22 ILE A 20 0.650 12.554 1.780 1.00 41.34 H new ATOM 0 HG23 ILE A 20 -0.802 11.909 0.979 1.00 41.34 H new ATOM 0 HD11 ILE A 20 -3.314 9.509 2.017 1.00 24.14 H new ATOM 0 HD12 ILE A 20 -2.565 10.963 1.315 1.00 24.14 H new ATOM 0 HD13 ILE A 20 -1.866 9.359 0.993 1.00 24.14 H new ATOM 378 N CYS A 21 2.137 11.199 0.415 1.00 41.10 N ATOM 379 CA CYS A 21 3.351 11.904 0.018 1.00 34.42 C ATOM 380 C CYS A 21 3.396 13.299 0.632 1.00 52.10 C ATOM 381 O CYS A 21 2.610 14.181 0.286 1.00 2.02 O ATOM 382 CB CYS A 21 3.435 12.001 -1.505 1.00 74.32 C ATOM 383 SG CYS A 21 4.910 12.852 -2.113 1.00 13.25 S ATOM 0 H CYS A 21 1.361 11.293 -0.240 1.00 41.10 H new ATOM 0 HA CYS A 21 4.206 11.338 0.386 1.00 34.42 H new ATOM 0 HB2 CYS A 21 3.411 10.995 -1.924 1.00 74.32 H new ATOM 0 HB3 CYS A 21 2.551 12.521 -1.874 1.00 74.32 H new ATOM 388 N PRO A 22 4.336 13.505 1.566 1.00 61.21 N ATOM 389 CA PRO A 22 4.505 14.792 2.248 1.00 13.25 C ATOM 390 C PRO A 22 5.050 15.873 1.322 1.00 61.43 C ATOM 391 O PRO A 22 5.146 17.040 1.701 1.00 2.20 O ATOM 392 CB PRO A 22 5.516 14.476 3.354 1.00 3.31 C ATOM 393 CG PRO A 22 6.279 13.302 2.846 1.00 62.04 C ATOM 394 CD PRO A 22 5.307 12.499 2.027 1.00 55.41 C ATOM 0 HA PRO A 22 3.557 15.186 2.616 1.00 13.25 H new ATOM 0 HB2 PRO A 22 6.174 15.324 3.543 1.00 3.31 H new ATOM 0 HB3 PRO A 22 5.015 14.246 4.294 1.00 3.31 H new ATOM 0 HG2 PRO A 22 7.128 13.621 2.242 1.00 62.04 H new ATOM 0 HG3 PRO A 22 6.678 12.710 3.670 1.00 62.04 H new ATOM 0 HD2 PRO A 22 5.800 12.003 1.191 1.00 55.41 H new ATOM 0 HD3 PRO A 22 4.828 11.721 2.621 1.00 55.41 H new ATOM 402 N LYS A 23 5.405 15.478 0.104 1.00 2.31 N ATOM 403 CA LYS A 23 5.938 16.413 -0.879 1.00 12.42 C ATOM 404 C LYS A 23 4.811 17.126 -1.620 1.00 11.14 C ATOM 405 O LYS A 23 4.688 18.350 -1.550 1.00 40.43 O ATOM 406 CB LYS A 23 6.834 15.678 -1.878 1.00 31.50 C ATOM 407 CG LYS A 23 8.212 16.300 -2.033 1.00 42.13 C ATOM 408 CD LYS A 23 8.977 16.290 -0.721 1.00 25.45 C ATOM 409 CE LYS A 23 10.459 16.024 -0.943 1.00 74.24 C ATOM 410 NZ LYS A 23 11.217 17.279 -1.195 1.00 63.12 N ATOM 0 H LYS A 23 5.333 14.516 -0.226 1.00 2.31 H new ATOM 0 HA LYS A 23 6.530 17.160 -0.349 1.00 12.42 H new ATOM 0 HB2 LYS A 23 6.946 14.642 -1.558 1.00 31.50 H new ATOM 0 HB3 LYS A 23 6.341 15.660 -2.850 1.00 31.50 H new ATOM 0 HG2 LYS A 23 8.776 15.754 -2.789 1.00 42.13 H new ATOM 0 HG3 LYS A 23 8.112 17.325 -2.389 1.00 42.13 H new ATOM 0 HD2 LYS A 23 8.850 17.248 -0.217 1.00 25.45 H new ATOM 0 HD3 LYS A 23 8.563 15.526 -0.063 1.00 25.45 H new ATOM 0 HE2 LYS A 23 10.872 15.520 -0.069 1.00 74.24 H new ATOM 0 HE3 LYS A 23 10.584 15.349 -1.789 1.00 74.24 H new ATOM 0 HZ1 LYS A 23 12.222 17.054 -1.341 1.00 63.12 H new ATOM 0 HZ2 LYS A 23 10.840 17.748 -2.043 1.00 63.12 H new ATOM 0 HZ3 LYS A 23 11.120 17.914 -0.377 1.00 63.12 H new ATOM 424 N CYS A 24 3.992 16.354 -2.325 1.00 64.22 N ATOM 425 CA CYS A 24 2.875 16.913 -3.078 1.00 62.04 C ATOM 426 C CYS A 24 1.567 16.750 -2.311 1.00 53.30 C ATOM 427 O CYS A 24 0.697 17.618 -2.355 1.00 63.14 O ATOM 428 CB CYS A 24 2.766 16.238 -4.446 1.00 54.45 C ATOM 429 SG CYS A 24 2.429 14.463 -4.367 1.00 34.42 S ATOM 0 H CYS A 24 4.080 15.340 -2.391 1.00 64.22 H new ATOM 0 HA CYS A 24 3.061 17.977 -3.221 1.00 62.04 H new ATOM 0 HB2 CYS A 24 1.974 16.723 -5.016 1.00 54.45 H new ATOM 0 HB3 CYS A 24 3.695 16.397 -4.993 1.00 54.45 H new ATOM 434 N GLY A 25 1.435 15.629 -1.608 1.00 2.32 N ATOM 435 CA GLY A 25 0.230 15.372 -0.841 1.00 73.44 C ATOM 436 C GLY A 25 -0.664 14.338 -1.497 1.00 73.51 C ATOM 437 O GLY A 25 -1.883 14.373 -1.338 1.00 54.40 O ATOM 0 H GLY A 25 2.141 14.895 -1.556 1.00 2.32 H new ATOM 0 HA2 GLY A 25 0.504 15.030 0.157 1.00 73.44 H new ATOM 0 HA3 GLY A 25 -0.325 16.302 -0.718 1.00 73.44 H new ATOM 441 N GLU A 26 -0.056 13.416 -2.238 1.00 65.24 N ATOM 442 CA GLU A 26 -0.806 12.369 -2.923 1.00 44.41 C ATOM 443 C GLU A 26 -0.556 11.010 -2.276 1.00 14.02 C ATOM 444 O GLU A 26 0.571 10.685 -1.903 1.00 32.52 O ATOM 445 CB GLU A 26 -0.423 12.321 -4.403 1.00 25.44 C ATOM 446 CG GLU A 26 -0.990 11.120 -5.139 1.00 74.31 C ATOM 447 CD GLU A 26 -2.468 10.917 -4.875 1.00 44.42 C ATOM 448 OE1 GLU A 26 -3.193 11.927 -4.753 1.00 45.00 O ATOM 449 OE2 GLU A 26 -2.902 9.750 -4.787 1.00 73.12 O ATOM 0 H GLU A 26 0.953 13.373 -2.379 1.00 65.24 H new ATOM 0 HA GLU A 26 -1.867 12.603 -2.838 1.00 44.41 H new ATOM 0 HB2 GLU A 26 -0.771 13.232 -4.889 1.00 25.44 H new ATOM 0 HB3 GLU A 26 0.664 12.309 -4.488 1.00 25.44 H new ATOM 0 HG2 GLU A 26 -0.830 11.247 -6.210 1.00 74.31 H new ATOM 0 HG3 GLU A 26 -0.445 10.225 -4.839 1.00 74.31 H new ATOM 456 N LYS A 27 -1.616 10.220 -2.146 1.00 72.35 N ATOM 457 CA LYS A 27 -1.514 8.895 -1.546 1.00 74.34 C ATOM 458 C LYS A 27 -0.390 8.090 -2.192 1.00 4.24 C ATOM 459 O LYS A 27 -0.188 8.147 -3.406 1.00 15.54 O ATOM 460 CB LYS A 27 -2.840 8.143 -1.691 1.00 2.21 C ATOM 461 CG LYS A 27 -2.745 6.670 -1.338 1.00 13.25 C ATOM 462 CD LYS A 27 -4.032 6.162 -0.711 1.00 41.12 C ATOM 463 CE LYS A 27 -3.777 5.519 0.644 1.00 62.32 C ATOM 464 NZ LYS A 27 -4.831 4.527 0.995 1.00 25.45 N ATOM 0 H LYS A 27 -2.556 10.474 -2.448 1.00 72.35 H new ATOM 0 HA LYS A 27 -1.287 9.020 -0.487 1.00 74.34 H new ATOM 0 HB2 LYS A 27 -3.587 8.614 -1.052 1.00 2.21 H new ATOM 0 HB3 LYS A 27 -3.193 8.240 -2.718 1.00 2.21 H new ATOM 0 HG2 LYS A 27 -2.525 6.093 -2.236 1.00 13.25 H new ATOM 0 HG3 LYS A 27 -1.916 6.513 -0.647 1.00 13.25 H new ATOM 0 HD2 LYS A 27 -4.733 6.989 -0.596 1.00 41.12 H new ATOM 0 HD3 LYS A 27 -4.501 5.437 -1.376 1.00 41.12 H new ATOM 0 HE2 LYS A 27 -2.804 5.027 0.635 1.00 62.32 H new ATOM 0 HE3 LYS A 27 -3.736 6.292 1.411 1.00 62.32 H new ATOM 0 HZ1 LYS A 27 -4.621 4.112 1.925 1.00 25.45 H new ATOM 0 HZ2 LYS A 27 -5.756 5.001 1.028 1.00 25.45 H new ATOM 0 HZ3 LYS A 27 -4.853 3.775 0.277 1.00 25.45 H new ATOM 478 N THR A 28 0.341 7.340 -1.372 1.00 4.31 N ATOM 479 CA THR A 28 1.444 6.524 -1.862 1.00 52.22 C ATOM 480 C THR A 28 0.979 5.110 -2.191 1.00 23.05 C ATOM 481 O THR A 28 -0.049 4.653 -1.693 1.00 55.13 O ATOM 482 CB THR A 28 2.589 6.450 -0.834 1.00 53.54 C ATOM 483 OG1 THR A 28 2.057 6.498 0.495 1.00 12.03 O ATOM 484 CG2 THR A 28 3.571 7.594 -1.034 1.00 43.43 C ATOM 0 H THR A 28 0.188 7.281 -0.365 1.00 4.31 H new ATOM 0 HA THR A 28 1.811 7.003 -2.770 1.00 52.22 H new ATOM 0 HB THR A 28 3.119 5.509 -0.980 1.00 53.54 H new ATOM 0 HG1 THR A 28 2.793 6.546 1.140 1.00 12.03 H new ATOM 0 HG21 THR A 28 4.370 7.520 -0.297 1.00 43.43 H new ATOM 0 HG22 THR A 28 3.996 7.538 -2.036 1.00 43.43 H new ATOM 0 HG23 THR A 28 3.052 8.545 -0.913 1.00 43.43 H new ATOM 492 N VAL A 29 1.743 4.421 -3.032 1.00 24.12 N ATOM 493 CA VAL A 29 1.411 3.057 -3.425 1.00 53.34 C ATOM 494 C VAL A 29 2.644 2.162 -3.401 1.00 54.12 C ATOM 495 O VAL A 29 3.775 2.645 -3.439 1.00 0.30 O ATOM 496 CB VAL A 29 0.787 3.016 -4.833 1.00 51.32 C ATOM 497 CG1 VAL A 29 -0.404 3.958 -4.919 1.00 23.24 C ATOM 498 CG2 VAL A 29 1.829 3.362 -5.887 1.00 71.03 C ATOM 0 H VAL A 29 2.597 4.785 -3.455 1.00 24.12 H new ATOM 0 HA VAL A 29 0.684 2.687 -2.702 1.00 53.34 H new ATOM 0 HB VAL A 29 0.432 2.003 -5.024 1.00 51.32 H new ATOM 0 HG11 VAL A 29 -0.831 3.915 -5.921 1.00 23.24 H new ATOM 0 HG12 VAL A 29 -1.158 3.659 -4.190 1.00 23.24 H new ATOM 0 HG13 VAL A 29 -0.078 4.976 -4.707 1.00 23.24 H new ATOM 0 HG21 VAL A 29 1.371 3.328 -6.876 1.00 71.03 H new ATOM 0 HG22 VAL A 29 2.217 4.364 -5.700 1.00 71.03 H new ATOM 0 HG23 VAL A 29 2.646 2.642 -5.841 1.00 71.03 H new ATOM 508 N ILE A 30 2.417 0.853 -3.338 1.00 65.14 N ATOM 509 CA ILE A 30 3.510 -0.111 -3.310 1.00 43.23 C ATOM 510 C ILE A 30 4.302 -0.080 -4.613 1.00 13.03 C ATOM 511 O ILE A 30 3.806 -0.443 -5.679 1.00 75.35 O ATOM 512 CB ILE A 30 2.993 -1.541 -3.071 1.00 1.43 C ATOM 513 CG1 ILE A 30 2.102 -1.583 -1.826 1.00 71.33 C ATOM 514 CG2 ILE A 30 4.158 -2.508 -2.925 1.00 63.44 C ATOM 515 CD1 ILE A 30 2.808 -1.143 -0.563 1.00 64.24 C ATOM 0 H ILE A 30 1.486 0.437 -3.305 1.00 65.14 H new ATOM 0 HA ILE A 30 4.162 0.174 -2.484 1.00 43.23 H new ATOM 0 HB ILE A 30 2.398 -1.845 -3.933 1.00 1.43 H new ATOM 0 HG12 ILE A 30 1.234 -0.944 -1.989 1.00 71.33 H new ATOM 0 HG13 ILE A 30 1.730 -2.598 -1.690 1.00 71.33 H new ATOM 0 HG21 ILE A 30 3.776 -3.515 -2.756 1.00 63.44 H new ATOM 0 HG22 ILE A 30 4.758 -2.495 -3.835 1.00 63.44 H new ATOM 0 HG23 ILE A 30 4.776 -2.208 -2.079 1.00 63.44 H new ATOM 0 HD11 ILE A 30 2.117 -1.198 0.278 1.00 64.24 H new ATOM 0 HD12 ILE A 30 3.660 -1.796 -0.376 1.00 64.24 H new ATOM 0 HD13 ILE A 30 3.157 -0.117 -0.680 1.00 64.24 H new ATOM 527 N PRO A 31 5.566 0.360 -4.527 1.00 2.14 N ATOM 528 CA PRO A 31 6.456 0.446 -5.689 1.00 1.22 C ATOM 529 C PRO A 31 6.867 -0.927 -6.206 1.00 34.44 C ATOM 530 O PRO A 31 7.457 -1.047 -7.279 1.00 73.51 O ATOM 531 CB PRO A 31 7.673 1.200 -5.148 1.00 62.23 C ATOM 532 CG PRO A 31 7.670 0.926 -3.684 1.00 23.13 C ATOM 533 CD PRO A 31 6.223 0.809 -3.288 1.00 25.35 C ATOM 0 HA PRO A 31 5.975 0.936 -6.536 1.00 1.22 H new ATOM 0 HB2 PRO A 31 8.594 0.850 -5.614 1.00 62.23 H new ATOM 0 HB3 PRO A 31 7.599 2.268 -5.351 1.00 62.23 H new ATOM 0 HG2 PRO A 31 8.212 0.008 -3.458 1.00 23.13 H new ATOM 0 HG3 PRO A 31 8.161 1.730 -3.135 1.00 23.13 H new ATOM 0 HD2 PRO A 31 6.085 0.093 -2.478 1.00 25.35 H new ATOM 0 HD3 PRO A 31 5.822 1.762 -2.943 1.00 25.35 H new ATOM 541 N LYS A 32 6.552 -1.964 -5.436 1.00 61.35 N ATOM 542 CA LYS A 32 6.886 -3.331 -5.817 1.00 33.22 C ATOM 543 C LYS A 32 5.626 -4.139 -6.106 1.00 13.12 C ATOM 544 O LYS A 32 5.197 -4.973 -5.307 1.00 20.32 O ATOM 545 CB LYS A 32 7.696 -4.007 -4.708 1.00 73.52 C ATOM 546 CG LYS A 32 7.106 -3.818 -3.322 1.00 54.24 C ATOM 547 CD LYS A 32 7.921 -4.544 -2.265 1.00 53.42 C ATOM 548 CE LYS A 32 7.030 -5.148 -1.190 1.00 65.12 C ATOM 549 NZ LYS A 32 7.572 -6.437 -0.679 1.00 44.22 N ATOM 0 H LYS A 32 6.065 -1.883 -4.543 1.00 61.35 H new ATOM 0 HA LYS A 32 7.487 -3.292 -6.726 1.00 33.22 H new ATOM 0 HB2 LYS A 32 7.768 -5.074 -4.921 1.00 73.52 H new ATOM 0 HB3 LYS A 32 8.711 -3.611 -4.718 1.00 73.52 H new ATOM 0 HG2 LYS A 32 7.065 -2.755 -3.085 1.00 54.24 H new ATOM 0 HG3 LYS A 32 6.080 -4.187 -3.309 1.00 54.24 H new ATOM 0 HD2 LYS A 32 8.510 -5.331 -2.736 1.00 53.42 H new ATOM 0 HD3 LYS A 32 8.626 -3.850 -1.807 1.00 53.42 H new ATOM 0 HE2 LYS A 32 6.929 -4.444 -0.364 1.00 65.12 H new ATOM 0 HE3 LYS A 32 6.031 -5.309 -1.595 1.00 65.12 H new ATOM 0 HZ1 LYS A 32 6.936 -6.816 0.052 1.00 44.22 H new ATOM 0 HZ2 LYS A 32 7.644 -7.118 -1.462 1.00 44.22 H new ATOM 0 HZ3 LYS A 32 8.515 -6.279 -0.269 1.00 44.22 H new ATOM 563 N PRO A 33 5.016 -3.891 -7.275 1.00 21.35 N ATOM 564 CA PRO A 33 3.798 -4.587 -7.697 1.00 0.44 C ATOM 565 C PRO A 33 4.053 -6.053 -8.029 1.00 30.54 C ATOM 566 O PRO A 33 5.195 -6.496 -8.155 1.00 31.41 O ATOM 567 CB PRO A 33 3.367 -3.821 -8.950 1.00 54.30 C ATOM 568 CG PRO A 33 4.624 -3.222 -9.478 1.00 12.22 C ATOM 569 CD PRO A 33 5.471 -2.911 -8.275 1.00 30.33 C ATOM 0 HA PRO A 33 3.044 -4.602 -6.910 1.00 0.44 H new ATOM 0 HB2 PRO A 33 2.907 -4.485 -9.682 1.00 54.30 H new ATOM 0 HB3 PRO A 33 2.632 -3.052 -8.711 1.00 54.30 H new ATOM 0 HG2 PRO A 33 5.135 -3.914 -10.147 1.00 12.22 H new ATOM 0 HG3 PRO A 33 4.415 -2.319 -10.052 1.00 12.22 H new ATOM 0 HD2 PRO A 33 6.533 -3.022 -8.492 1.00 30.33 H new ATOM 0 HD3 PRO A 33 5.321 -1.887 -7.932 1.00 30.33 H new ATOM 577 N PRO A 34 2.967 -6.826 -8.175 1.00 1.22 N ATOM 578 CA PRO A 34 3.048 -8.254 -8.496 1.00 52.50 C ATOM 579 C PRO A 34 3.535 -8.501 -9.920 1.00 52.01 C ATOM 580 O PRO A 34 3.945 -7.573 -10.617 1.00 3.44 O ATOM 581 CB PRO A 34 1.605 -8.738 -8.333 1.00 44.52 C ATOM 582 CG PRO A 34 0.771 -7.524 -8.560 1.00 22.31 C ATOM 583 CD PRO A 34 1.575 -6.365 -8.038 1.00 1.43 C ATOM 0 HA PRO A 34 3.761 -8.775 -7.857 1.00 52.50 H new ATOM 0 HB2 PRO A 34 1.367 -9.522 -9.052 1.00 44.52 H new ATOM 0 HB3 PRO A 34 1.437 -9.154 -7.340 1.00 44.52 H new ATOM 0 HG2 PRO A 34 0.546 -7.397 -9.619 1.00 22.31 H new ATOM 0 HG3 PRO A 34 -0.183 -7.603 -8.039 1.00 22.31 H new ATOM 0 HD2 PRO A 34 1.394 -5.458 -8.615 1.00 1.43 H new ATOM 0 HD3 PRO A 34 1.327 -6.138 -7.001 1.00 1.43 H new ATOM 591 N LYS A 35 3.488 -9.758 -10.347 1.00 52.23 N ATOM 592 CA LYS A 35 3.922 -10.129 -11.688 1.00 65.42 C ATOM 593 C LYS A 35 2.903 -9.683 -12.733 1.00 4.23 C ATOM 594 O LYS A 35 1.829 -9.185 -12.394 1.00 11.51 O ATOM 595 CB LYS A 35 4.133 -11.641 -11.780 1.00 1.23 C ATOM 596 CG LYS A 35 5.204 -12.164 -10.838 1.00 43.44 C ATOM 597 CD LYS A 35 6.579 -11.636 -11.210 1.00 75.20 C ATOM 598 CE LYS A 35 7.684 -12.448 -10.552 1.00 73.51 C ATOM 599 NZ LYS A 35 8.902 -11.628 -10.302 1.00 54.33 N ATOM 0 H LYS A 35 3.153 -10.538 -9.782 1.00 52.23 H new ATOM 0 HA LYS A 35 4.867 -9.624 -11.888 1.00 65.42 H new ATOM 0 HB2 LYS A 35 3.191 -12.145 -11.562 1.00 1.23 H new ATOM 0 HB3 LYS A 35 4.403 -11.900 -12.804 1.00 1.23 H new ATOM 0 HG2 LYS A 35 4.965 -11.871 -9.816 1.00 43.44 H new ATOM 0 HG3 LYS A 35 5.212 -13.254 -10.864 1.00 43.44 H new ATOM 0 HD2 LYS A 35 6.700 -11.665 -12.293 1.00 75.20 H new ATOM 0 HD3 LYS A 35 6.663 -10.592 -10.907 1.00 75.20 H new ATOM 0 HE2 LYS A 35 7.322 -12.857 -9.609 1.00 73.51 H new ATOM 0 HE3 LYS A 35 7.941 -13.295 -11.189 1.00 73.51 H new ATOM 0 HZ1 LYS A 35 9.631 -12.218 -9.853 1.00 54.33 H new ATOM 0 HZ2 LYS A 35 9.263 -11.258 -11.205 1.00 54.33 H new ATOM 0 HZ3 LYS A 35 8.663 -10.834 -9.674 1.00 54.33 H new ATOM 613 N PHE A 36 3.246 -9.866 -14.003 1.00 14.02 N ATOM 614 CA PHE A 36 2.361 -9.484 -15.096 1.00 73.34 C ATOM 615 C PHE A 36 1.946 -8.020 -14.974 1.00 15.40 C ATOM 616 O PHE A 36 0.780 -7.677 -15.168 1.00 45.22 O ATOM 617 CB PHE A 36 1.119 -10.378 -15.113 1.00 50.05 C ATOM 618 CG PHE A 36 0.385 -10.362 -16.424 1.00 2.14 C ATOM 619 CD1 PHE A 36 0.966 -10.891 -17.564 1.00 65.22 C ATOM 620 CD2 PHE A 36 -0.886 -9.817 -16.514 1.00 65.54 C ATOM 621 CE1 PHE A 36 0.294 -10.877 -18.772 1.00 44.42 C ATOM 622 CE2 PHE A 36 -1.564 -9.800 -17.718 1.00 62.50 C ATOM 623 CZ PHE A 36 -0.973 -10.331 -18.848 1.00 71.44 C ATOM 0 H PHE A 36 4.131 -10.277 -14.301 1.00 14.02 H new ATOM 0 HA PHE A 36 2.905 -9.613 -16.032 1.00 73.34 H new ATOM 0 HB2 PHE A 36 1.415 -11.402 -14.884 1.00 50.05 H new ATOM 0 HB3 PHE A 36 0.440 -10.058 -14.322 1.00 50.05 H new ATOM 0 HD1 PHE A 36 1.956 -11.320 -17.509 1.00 65.22 H new ATOM 0 HD2 PHE A 36 -1.352 -9.401 -15.633 1.00 65.54 H new ATOM 0 HE1 PHE A 36 0.758 -11.292 -19.654 1.00 44.42 H new ATOM 0 HE2 PHE A 36 -2.554 -9.372 -17.775 1.00 62.50 H new ATOM 0 HZ PHE A 36 -1.501 -10.319 -19.790 1.00 71.44 H new ATOM 633 N SER A 37 2.909 -7.164 -14.650 1.00 43.11 N ATOM 634 CA SER A 37 2.644 -5.738 -14.497 1.00 50.44 C ATOM 635 C SER A 37 2.864 -4.999 -15.813 1.00 54.34 C ATOM 636 O SER A 37 3.690 -5.402 -16.634 1.00 3.51 O ATOM 637 CB SER A 37 3.542 -5.145 -13.410 1.00 52.40 C ATOM 638 OG SER A 37 2.924 -5.224 -12.138 1.00 43.31 O ATOM 0 H SER A 37 3.880 -7.433 -14.488 1.00 43.11 H new ATOM 0 HA SER A 37 1.601 -5.617 -14.203 1.00 50.44 H new ATOM 0 HB2 SER A 37 4.493 -5.677 -13.389 1.00 52.40 H new ATOM 0 HB3 SER A 37 3.764 -4.104 -13.646 1.00 52.40 H new ATOM 0 HG SER A 37 3.270 -6.002 -11.654 1.00 43.31 H new ATOM 644 N LEU A 38 2.118 -3.918 -16.010 1.00 55.53 N ATOM 645 CA LEU A 38 2.229 -3.122 -17.227 1.00 52.52 C ATOM 646 C LEU A 38 3.542 -2.345 -17.251 1.00 43.34 C ATOM 647 O LEU A 38 4.067 -2.031 -18.318 1.00 4.14 O ATOM 648 CB LEU A 38 1.049 -2.155 -17.338 1.00 51.21 C ATOM 649 CG LEU A 38 0.775 -1.587 -18.731 1.00 31.14 C ATOM 650 CD1 LEU A 38 0.397 -2.699 -19.696 1.00 35.53 C ATOM 651 CD2 LEU A 38 -0.323 -0.535 -18.671 1.00 33.51 C ATOM 0 H LEU A 38 1.429 -3.572 -15.342 1.00 55.53 H new ATOM 0 HA LEU A 38 2.214 -3.802 -18.079 1.00 52.52 H new ATOM 0 HB2 LEU A 38 0.151 -2.668 -16.994 1.00 51.21 H new ATOM 0 HB3 LEU A 38 1.222 -1.323 -16.656 1.00 51.21 H new ATOM 0 HG LEU A 38 1.686 -1.113 -19.095 1.00 31.14 H new ATOM 0 HD11 LEU A 38 0.206 -2.276 -20.682 1.00 35.53 H new ATOM 0 HD12 LEU A 38 1.214 -3.417 -19.762 1.00 35.53 H new ATOM 0 HD13 LEU A 38 -0.501 -3.203 -19.337 1.00 35.53 H new ATOM 0 HD21 LEU A 38 -0.505 -0.142 -19.671 1.00 33.51 H new ATOM 0 HD22 LEU A 38 -1.238 -0.986 -18.286 1.00 33.51 H new ATOM 0 HD23 LEU A 38 -0.014 0.277 -18.013 1.00 33.51 H new ATOM 663 N GLU A 39 4.064 -2.041 -16.067 1.00 44.00 N ATOM 664 CA GLU A 39 5.316 -1.302 -15.953 1.00 23.30 C ATOM 665 C GLU A 39 6.440 -2.018 -16.696 1.00 23.32 C ATOM 666 O GLU A 39 7.407 -1.393 -17.133 1.00 71.35 O ATOM 667 CB GLU A 39 5.697 -1.123 -14.482 1.00 40.12 C ATOM 668 CG GLU A 39 4.842 -0.100 -13.753 1.00 11.32 C ATOM 669 CD GLU A 39 5.483 0.388 -12.469 1.00 22.15 C ATOM 670 OE1 GLU A 39 6.594 0.956 -12.538 1.00 73.54 O ATOM 671 OE2 GLU A 39 4.876 0.203 -11.394 1.00 42.40 O ATOM 0 H GLU A 39 3.640 -2.295 -15.175 1.00 44.00 H new ATOM 0 HA GLU A 39 5.171 -0.321 -16.406 1.00 23.30 H new ATOM 0 HB2 GLU A 39 5.612 -2.084 -13.974 1.00 40.12 H new ATOM 0 HB3 GLU A 39 6.742 -0.821 -14.420 1.00 40.12 H new ATOM 0 HG2 GLU A 39 4.661 0.751 -14.410 1.00 11.32 H new ATOM 0 HG3 GLU A 39 3.871 -0.540 -13.525 1.00 11.32 H new ATOM 678 N ASP A 40 6.307 -3.332 -16.835 1.00 51.42 N ATOM 679 CA ASP A 40 7.310 -4.134 -17.524 1.00 34.50 C ATOM 680 C ASP A 40 7.617 -3.554 -18.902 1.00 3.11 C ATOM 681 O ASP A 40 6.710 -3.167 -19.639 1.00 22.02 O ATOM 682 CB ASP A 40 6.831 -5.581 -17.663 1.00 62.04 C ATOM 683 CG ASP A 40 6.717 -6.283 -16.324 1.00 4.01 C ATOM 684 OD1 ASP A 40 7.421 -5.873 -15.378 1.00 1.12 O ATOM 685 OD2 ASP A 40 5.925 -7.243 -16.223 1.00 31.10 O ATOM 0 H ASP A 40 5.513 -3.865 -16.479 1.00 51.42 H new ATOM 0 HA ASP A 40 8.223 -4.117 -16.929 1.00 34.50 H new ATOM 0 HB2 ASP A 40 5.861 -5.594 -18.161 1.00 62.04 H new ATOM 0 HB3 ASP A 40 7.524 -6.131 -18.301 1.00 62.04 H new ATOM 690 N ARG A 41 8.900 -3.496 -19.241 1.00 24.23 N ATOM 691 CA ARG A 41 9.327 -2.960 -20.528 1.00 50.42 C ATOM 692 C ARG A 41 8.738 -3.773 -21.678 1.00 43.22 C ATOM 693 O ARG A 41 7.901 -3.280 -22.434 1.00 64.34 O ATOM 694 CB ARG A 41 10.854 -2.955 -20.622 1.00 53.12 C ATOM 695 CG ARG A 41 11.523 -2.024 -19.624 1.00 73.21 C ATOM 696 CD ARG A 41 12.912 -1.615 -20.089 1.00 14.21 C ATOM 697 NE ARG A 41 12.870 -0.482 -21.009 1.00 51.11 N ATOM 698 CZ ARG A 41 13.955 0.136 -21.462 1.00 62.35 C ATOM 699 NH1 ARG A 41 15.160 -0.267 -21.083 1.00 44.15 N ATOM 700 NH2 ARG A 41 13.836 1.160 -22.298 1.00 42.52 N ATOM 0 H ARG A 41 9.662 -3.814 -18.642 1.00 24.23 H new ATOM 0 HA ARG A 41 8.962 -1.936 -20.606 1.00 50.42 H new ATOM 0 HB2 ARG A 41 11.223 -3.969 -20.464 1.00 53.12 H new ATOM 0 HB3 ARG A 41 11.146 -2.663 -21.631 1.00 53.12 H new ATOM 0 HG2 ARG A 41 10.908 -1.135 -19.485 1.00 73.21 H new ATOM 0 HG3 ARG A 41 11.593 -2.518 -18.655 1.00 73.21 H new ATOM 0 HD2 ARG A 41 13.522 -1.357 -19.224 1.00 14.21 H new ATOM 0 HD3 ARG A 41 13.394 -2.461 -20.578 1.00 14.21 H new ATOM 0 HE ARG A 41 11.958 -0.147 -21.321 1.00 51.11 H new ATOM 0 HH11 ARG A 41 15.256 -1.054 -20.441 1.00 44.15 H new ATOM 0 HH12 ARG A 41 15.991 0.210 -21.433 1.00 44.15 H new ATOM 0 HH21 ARG A 41 12.911 1.473 -22.593 1.00 42.52 H new ATOM 0 HH22 ARG A 41 14.670 1.634 -22.646 1.00 42.52 H new ATOM 714 N TRP A 42 9.181 -5.018 -21.801 1.00 61.11 N ATOM 715 CA TRP A 42 8.698 -5.899 -22.859 1.00 33.30 C ATOM 716 C TRP A 42 7.529 -6.747 -22.369 1.00 72.25 C ATOM 717 O TRP A 42 6.711 -7.211 -23.164 1.00 43.33 O ATOM 718 CB TRP A 42 9.828 -6.804 -23.352 1.00 62.14 C ATOM 719 CG TRP A 42 10.960 -6.050 -23.982 1.00 21.14 C ATOM 720 CD1 TRP A 42 10.871 -4.918 -24.741 1.00 54.42 C ATOM 721 CD2 TRP A 42 12.353 -6.375 -23.906 1.00 72.03 C ATOM 722 NE1 TRP A 42 12.123 -4.522 -25.143 1.00 5.21 N ATOM 723 CE2 TRP A 42 13.050 -5.398 -24.643 1.00 42.41 C ATOM 724 CE3 TRP A 42 13.079 -7.396 -23.287 1.00 33.32 C ATOM 725 CZ2 TRP A 42 14.435 -5.414 -24.777 1.00 43.01 C ATOM 726 CZ3 TRP A 42 14.454 -7.411 -23.421 1.00 2.00 C ATOM 727 CH2 TRP A 42 15.121 -6.424 -24.160 1.00 53.33 C ATOM 0 H TRP A 42 9.873 -5.441 -21.182 1.00 61.11 H new ATOM 0 HA TRP A 42 8.352 -5.278 -23.685 1.00 33.30 H new ATOM 0 HB2 TRP A 42 10.210 -7.386 -22.513 1.00 62.14 H new ATOM 0 HB3 TRP A 42 9.426 -7.514 -24.075 1.00 62.14 H new ATOM 0 HD1 TRP A 42 9.951 -4.409 -24.989 1.00 54.42 H new ATOM 0 HE1 TRP A 42 12.329 -3.707 -25.721 1.00 5.21 H new ATOM 0 HE3 TRP A 42 12.574 -8.160 -22.714 1.00 33.32 H new ATOM 0 HZ2 TRP A 42 14.950 -4.656 -25.348 1.00 43.01 H new ATOM 0 HZ3 TRP A 42 15.025 -8.197 -22.948 1.00 2.00 H new ATOM 0 HH2 TRP A 42 16.197 -6.462 -24.244 1.00 53.33 H new ATOM 738 N GLY A 43 7.455 -6.945 -21.058 1.00 2.34 N ATOM 739 CA GLY A 43 6.382 -7.737 -20.486 1.00 13.50 C ATOM 740 C GLY A 43 6.463 -9.198 -20.883 1.00 5.32 C ATOM 741 O GLY A 43 7.084 -10.004 -20.189 1.00 50.03 O ATOM 0 H GLY A 43 8.119 -6.571 -20.380 1.00 2.34 H new ATOM 0 HA2 GLY A 43 6.415 -7.657 -19.399 1.00 13.50 H new ATOM 0 HA3 GLY A 43 5.423 -7.329 -20.807 1.00 13.50 H new ATOM 745 N LYS A 44 5.835 -9.541 -22.002 1.00 43.43 N ATOM 746 CA LYS A 44 5.838 -10.914 -22.492 1.00 15.30 C ATOM 747 C LYS A 44 7.260 -11.460 -22.572 1.00 4.14 C ATOM 748 O LYS A 44 7.489 -12.654 -22.375 1.00 1.52 O ATOM 749 CB LYS A 44 5.174 -10.988 -23.868 1.00 74.23 C ATOM 750 CG LYS A 44 5.772 -10.031 -24.885 1.00 31.45 C ATOM 751 CD LYS A 44 5.115 -10.181 -26.246 1.00 41.33 C ATOM 752 CE LYS A 44 5.783 -11.270 -27.072 1.00 64.14 C ATOM 753 NZ LYS A 44 5.388 -11.199 -28.506 1.00 24.12 N ATOM 0 H LYS A 44 5.317 -8.886 -22.588 1.00 43.43 H new ATOM 0 HA LYS A 44 5.272 -11.525 -21.789 1.00 15.30 H new ATOM 0 HB2 LYS A 44 5.257 -12.006 -24.248 1.00 74.23 H new ATOM 0 HB3 LYS A 44 4.111 -10.773 -23.761 1.00 74.23 H new ATOM 0 HG2 LYS A 44 5.654 -9.006 -24.534 1.00 31.45 H new ATOM 0 HG3 LYS A 44 6.842 -10.216 -24.974 1.00 31.45 H new ATOM 0 HD2 LYS A 44 4.059 -10.417 -26.117 1.00 41.33 H new ATOM 0 HD3 LYS A 44 5.166 -9.233 -26.782 1.00 41.33 H new ATOM 0 HE2 LYS A 44 6.866 -11.177 -26.988 1.00 64.14 H new ATOM 0 HE3 LYS A 44 5.515 -12.247 -26.669 1.00 64.14 H new ATOM 0 HZ1 LYS A 44 5.864 -11.957 -29.035 1.00 24.12 H new ATOM 0 HZ2 LYS A 44 4.358 -11.313 -28.588 1.00 24.12 H new ATOM 0 HZ3 LYS A 44 5.666 -10.276 -28.897 1.00 24.12 H new ATOM 767 N TYR A 45 8.211 -10.579 -22.860 1.00 21.13 N ATOM 768 CA TYR A 45 9.611 -10.973 -22.966 1.00 14.21 C ATOM 769 C TYR A 45 10.278 -10.992 -21.593 1.00 73.31 C ATOM 770 O TYR A 45 11.174 -11.796 -21.338 1.00 3.13 O ATOM 771 CB TYR A 45 10.362 -10.020 -23.896 1.00 62.32 C ATOM 772 CG TYR A 45 11.483 -10.681 -24.667 1.00 14.12 C ATOM 773 CD1 TYR A 45 12.771 -10.734 -24.148 1.00 12.31 C ATOM 774 CD2 TYR A 45 11.254 -11.252 -25.912 1.00 15.12 C ATOM 775 CE1 TYR A 45 13.798 -11.338 -24.848 1.00 64.30 C ATOM 776 CE2 TYR A 45 12.274 -11.859 -26.618 1.00 73.10 C ATOM 777 CZ TYR A 45 13.545 -11.899 -26.082 1.00 70.51 C ATOM 778 OH TYR A 45 14.564 -12.501 -26.783 1.00 21.14 O ATOM 0 H TYR A 45 8.038 -9.587 -23.024 1.00 21.13 H new ATOM 0 HA TYR A 45 9.647 -11.980 -23.382 1.00 14.21 H new ATOM 0 HB2 TYR A 45 9.656 -9.583 -24.602 1.00 62.32 H new ATOM 0 HB3 TYR A 45 10.772 -9.200 -23.307 1.00 62.32 H new ATOM 0 HD1 TYR A 45 12.973 -10.296 -23.182 1.00 12.31 H new ATOM 0 HD2 TYR A 45 10.261 -11.221 -26.335 1.00 15.12 H new ATOM 0 HE1 TYR A 45 14.794 -11.371 -24.431 1.00 64.30 H new ATOM 0 HE2 TYR A 45 12.078 -12.300 -27.584 1.00 73.10 H new ATOM 0 HH TYR A 45 14.217 -12.846 -27.632 1.00 21.14 H new ATOM 788 N ARG A 46 9.832 -10.101 -20.714 1.00 1.00 N ATOM 789 CA ARG A 46 10.384 -10.014 -19.367 1.00 75.50 C ATOM 790 C ARG A 46 10.189 -11.326 -18.614 1.00 53.30 C ATOM 791 O ARG A 46 10.953 -11.652 -17.706 1.00 24.05 O ATOM 792 CB ARG A 46 9.727 -8.868 -18.597 1.00 23.14 C ATOM 793 CG ARG A 46 10.255 -8.704 -17.182 1.00 33.13 C ATOM 794 CD ARG A 46 10.142 -7.263 -16.708 1.00 31.14 C ATOM 795 NE ARG A 46 10.732 -7.074 -15.385 1.00 75.14 N ATOM 796 CZ ARG A 46 10.896 -5.884 -14.817 1.00 32.31 C ATOM 797 NH1 ARG A 46 10.518 -4.785 -15.453 1.00 62.30 N ATOM 798 NH2 ARG A 46 11.440 -5.794 -13.611 1.00 44.32 N ATOM 0 H ARG A 46 9.090 -9.429 -20.910 1.00 1.00 H new ATOM 0 HA ARG A 46 11.453 -9.819 -19.451 1.00 75.50 H new ATOM 0 HB2 ARG A 46 9.882 -7.938 -19.144 1.00 23.14 H new ATOM 0 HB3 ARG A 46 8.651 -9.038 -18.557 1.00 23.14 H new ATOM 0 HG2 ARG A 46 9.699 -9.355 -16.507 1.00 33.13 H new ATOM 0 HG3 ARG A 46 11.297 -9.020 -17.143 1.00 33.13 H new ATOM 0 HD2 ARG A 46 10.638 -6.606 -17.423 1.00 31.14 H new ATOM 0 HD3 ARG A 46 9.092 -6.971 -16.682 1.00 31.14 H new ATOM 0 HE ARG A 46 11.034 -7.900 -14.869 1.00 75.14 H new ATOM 0 HH11 ARG A 46 10.100 -4.851 -16.381 1.00 62.30 H new ATOM 0 HH12 ARG A 46 10.645 -3.873 -15.015 1.00 62.30 H new ATOM 0 HH21 ARG A 46 11.733 -6.638 -13.119 1.00 44.32 H new ATOM 0 HH22 ARG A 46 11.566 -4.880 -13.175 1.00 44.32 H new ATOM 812 N ARG A 47 9.160 -12.075 -18.997 1.00 14.01 N ATOM 813 CA ARG A 47 8.863 -13.351 -18.357 1.00 60.02 C ATOM 814 C ARG A 47 10.099 -14.246 -18.327 1.00 65.44 C ATOM 815 O ARG A 47 10.348 -14.945 -17.346 1.00 63.55 O ATOM 816 CB ARG A 47 7.724 -14.061 -19.090 1.00 3.33 C ATOM 817 CG ARG A 47 6.759 -14.783 -18.163 1.00 25.10 C ATOM 818 CD ARG A 47 5.593 -13.890 -17.767 1.00 31.54 C ATOM 819 NE ARG A 47 4.588 -14.614 -16.994 1.00 33.52 N ATOM 820 CZ ARG A 47 4.730 -14.921 -15.709 1.00 54.40 C ATOM 821 NH1 ARG A 47 5.829 -14.568 -15.057 1.00 64.34 N ATOM 822 NH2 ARG A 47 3.770 -15.581 -15.074 1.00 52.23 N ATOM 0 H ARG A 47 8.518 -11.820 -19.747 1.00 14.01 H new ATOM 0 HA ARG A 47 8.556 -13.150 -17.331 1.00 60.02 H new ATOM 0 HB2 ARG A 47 7.170 -13.329 -19.679 1.00 3.33 H new ATOM 0 HB3 ARG A 47 8.147 -14.780 -19.791 1.00 3.33 H new ATOM 0 HG2 ARG A 47 6.381 -15.679 -18.655 1.00 25.10 H new ATOM 0 HG3 ARG A 47 7.288 -15.110 -17.268 1.00 25.10 H new ATOM 0 HD2 ARG A 47 5.963 -13.048 -17.182 1.00 31.54 H new ATOM 0 HD3 ARG A 47 5.132 -13.476 -18.664 1.00 31.54 H new ATOM 0 HE ARG A 47 3.730 -14.900 -17.466 1.00 33.52 H new ATOM 0 HH11 ARG A 47 6.568 -14.059 -15.542 1.00 64.34 H new ATOM 0 HH12 ARG A 47 5.935 -14.805 -14.071 1.00 64.34 H new ATOM 0 HH21 ARG A 47 2.923 -15.853 -15.572 1.00 52.23 H new ATOM 0 HH22 ARG A 47 3.879 -15.816 -14.088 1.00 52.23 H new ATOM 836 N MET A 48 10.869 -14.218 -19.411 1.00 5.41 N ATOM 837 CA MET A 48 12.079 -15.025 -19.509 1.00 41.40 C ATOM 838 C MET A 48 13.320 -14.177 -19.254 1.00 25.43 C ATOM 839 O MET A 48 14.320 -14.665 -18.723 1.00 5.34 O ATOM 840 CB MET A 48 12.170 -15.682 -20.887 1.00 43.20 C ATOM 841 CG MET A 48 11.276 -16.903 -21.039 1.00 25.03 C ATOM 842 SD MET A 48 11.902 -18.336 -20.143 1.00 72.11 S ATOM 843 CE MET A 48 10.402 -18.926 -19.359 1.00 24.33 C ATOM 0 H MET A 48 10.676 -13.645 -20.233 1.00 5.41 H new ATOM 0 HA MET A 48 12.029 -15.803 -18.747 1.00 41.40 H new ATOM 0 HB2 MET A 48 11.903 -14.949 -21.648 1.00 43.20 H new ATOM 0 HB3 MET A 48 13.204 -15.973 -21.074 1.00 43.20 H new ATOM 0 HG2 MET A 48 10.275 -16.663 -20.680 1.00 25.03 H new ATOM 0 HG3 MET A 48 11.184 -17.152 -22.096 1.00 25.03 H new ATOM 0 HE1 MET A 48 10.626 -19.813 -18.766 1.00 24.33 H new ATOM 0 HE2 MET A 48 10.000 -18.148 -18.710 1.00 24.33 H new ATOM 0 HE3 MET A 48 9.666 -19.177 -20.123 1.00 24.33 H new ATOM 853 N LEU A 49 13.253 -12.906 -19.635 1.00 73.02 N ATOM 854 CA LEU A 49 14.372 -11.990 -19.448 1.00 1.13 C ATOM 855 C LEU A 49 14.720 -11.851 -17.970 1.00 4.13 C ATOM 856 O LEU A 49 15.860 -11.550 -17.614 1.00 62.44 O ATOM 857 CB LEU A 49 14.038 -10.619 -20.037 1.00 65.01 C ATOM 858 CG LEU A 49 15.197 -9.873 -20.700 1.00 44.52 C ATOM 859 CD1 LEU A 49 16.281 -9.557 -19.681 1.00 53.03 C ATOM 860 CD2 LEU A 49 15.765 -10.686 -21.853 1.00 2.22 C ATOM 0 H LEU A 49 12.434 -12.486 -20.076 1.00 73.02 H new ATOM 0 HA LEU A 49 15.237 -12.401 -19.969 1.00 1.13 H new ATOM 0 HB2 LEU A 49 13.245 -10.746 -20.774 1.00 65.01 H new ATOM 0 HB3 LEU A 49 13.636 -9.992 -19.241 1.00 65.01 H new ATOM 0 HG LEU A 49 14.818 -8.932 -21.099 1.00 44.52 H new ATOM 0 HD11 LEU A 49 17.097 -9.026 -20.171 1.00 53.03 H new ATOM 0 HD12 LEU A 49 15.866 -8.933 -18.890 1.00 53.03 H new ATOM 0 HD13 LEU A 49 16.658 -10.485 -19.251 1.00 53.03 H new ATOM 0 HD21 LEU A 49 16.589 -10.139 -22.313 1.00 2.22 H new ATOM 0 HD22 LEU A 49 16.129 -11.643 -21.479 1.00 2.22 H new ATOM 0 HD23 LEU A 49 14.985 -10.859 -22.595 1.00 2.22 H new ATOM 872 N LYS A 50 13.731 -12.072 -17.110 1.00 62.44 N ATOM 873 CA LYS A 50 13.932 -11.975 -15.670 1.00 4.24 C ATOM 874 C LYS A 50 15.017 -12.941 -15.205 1.00 70.30 C ATOM 875 O LYS A 50 15.386 -13.869 -15.926 1.00 42.23 O ATOM 876 CB LYS A 50 12.624 -12.266 -14.931 1.00 12.42 C ATOM 877 CG LYS A 50 12.020 -13.618 -15.273 1.00 4.34 C ATOM 878 CD LYS A 50 12.526 -14.706 -14.340 1.00 14.40 C ATOM 879 CE LYS A 50 11.641 -15.942 -14.396 1.00 3.20 C ATOM 880 NZ LYS A 50 10.271 -15.667 -13.881 1.00 34.52 N ATOM 0 H LYS A 50 12.781 -12.320 -17.387 1.00 62.44 H new ATOM 0 HA LYS A 50 14.253 -10.959 -15.441 1.00 4.24 H new ATOM 0 HB2 LYS A 50 12.805 -12.219 -13.857 1.00 12.42 H new ATOM 0 HB3 LYS A 50 11.902 -11.485 -15.167 1.00 12.42 H new ATOM 0 HG2 LYS A 50 10.933 -13.559 -15.209 1.00 4.34 H new ATOM 0 HG3 LYS A 50 12.265 -13.877 -16.303 1.00 4.34 H new ATOM 0 HD2 LYS A 50 13.547 -14.975 -14.612 1.00 14.40 H new ATOM 0 HD3 LYS A 50 12.558 -14.326 -13.319 1.00 14.40 H new ATOM 0 HE2 LYS A 50 11.578 -16.297 -15.425 1.00 3.20 H new ATOM 0 HE3 LYS A 50 12.096 -16.741 -13.810 1.00 3.20 H new ATOM 0 HZ1 LYS A 50 9.832 -16.557 -13.569 1.00 34.52 H new ATOM 0 HZ2 LYS A 50 10.328 -15.009 -13.078 1.00 34.52 H new ATOM 0 HZ3 LYS A 50 9.695 -15.243 -14.636 1.00 34.52 H new ATOM 894 N ARG A 51 15.524 -12.718 -13.997 1.00 42.23 N ATOM 895 CA ARG A 51 16.567 -13.570 -13.437 1.00 44.24 C ATOM 896 C ARG A 51 16.169 -14.077 -12.054 1.00 60.03 C ATOM 897 O ARG A 51 15.778 -13.299 -11.185 1.00 12.35 O ATOM 898 CB ARG A 51 17.887 -12.803 -13.350 1.00 32.23 C ATOM 899 CG ARG A 51 17.736 -11.385 -12.824 1.00 10.13 C ATOM 900 CD ARG A 51 19.075 -10.668 -12.763 1.00 23.41 C ATOM 901 NE ARG A 51 18.922 -9.217 -12.830 1.00 12.11 N ATOM 902 CZ ARG A 51 19.931 -8.381 -13.043 1.00 25.24 C ATOM 903 NH1 ARG A 51 21.161 -8.848 -13.211 1.00 53.22 N ATOM 904 NH2 ARG A 51 19.712 -7.072 -13.090 1.00 1.15 N ATOM 0 H ARG A 51 15.230 -11.955 -13.387 1.00 42.23 H new ATOM 0 HA ARG A 51 16.695 -14.428 -14.097 1.00 44.24 H new ATOM 0 HB2 ARG A 51 18.573 -13.350 -12.703 1.00 32.23 H new ATOM 0 HB3 ARG A 51 18.342 -12.767 -14.340 1.00 32.23 H new ATOM 0 HG2 ARG A 51 17.053 -10.829 -13.466 1.00 10.13 H new ATOM 0 HG3 ARG A 51 17.290 -11.410 -11.830 1.00 10.13 H new ATOM 0 HD2 ARG A 51 19.588 -10.936 -11.840 1.00 23.41 H new ATOM 0 HD3 ARG A 51 19.704 -11.005 -13.587 1.00 23.41 H new ATOM 0 HE ARG A 51 17.989 -8.824 -12.706 1.00 12.11 H new ATOM 0 HH11 ARG A 51 21.334 -9.853 -13.177 1.00 53.22 H new ATOM 0 HH12 ARG A 51 21.934 -8.203 -13.374 1.00 53.22 H new ATOM 0 HH21 ARG A 51 18.768 -6.708 -12.962 1.00 1.15 H new ATOM 0 HH22 ARG A 51 20.488 -6.431 -13.254 1.00 1.15 H new ATOM 918 N ALA A 52 16.269 -15.388 -11.859 1.00 34.34 N ATOM 919 CA ALA A 52 15.922 -16.000 -10.583 1.00 45.14 C ATOM 920 C ALA A 52 17.164 -16.520 -9.866 1.00 63.23 C ATOM 921 O ALA A 52 17.218 -16.547 -8.637 1.00 1.31 O ATOM 922 CB ALA A 52 14.922 -17.126 -10.792 1.00 74.24 C ATOM 0 H ALA A 52 16.588 -16.047 -12.569 1.00 34.34 H new ATOM 0 HA ALA A 52 15.466 -15.235 -9.955 1.00 45.14 H new ATOM 0 HB1 ALA A 52 14.672 -17.574 -9.830 1.00 74.24 H new ATOM 0 HB2 ALA A 52 14.018 -16.729 -11.253 1.00 74.24 H new ATOM 0 HB3 ALA A 52 15.358 -17.884 -11.443 1.00 74.24 H new ATOM 928 N LEU A 53 18.161 -16.930 -10.643 1.00 54.05 N ATOM 929 CA LEU A 53 19.404 -17.450 -10.083 1.00 42.53 C ATOM 930 C LEU A 53 20.035 -16.440 -9.130 1.00 33.04 C ATOM 931 O LEU A 53 20.342 -15.312 -9.517 1.00 71.32 O ATOM 932 CB LEU A 53 20.386 -17.795 -11.203 1.00 62.41 C ATOM 933 CG LEU A 53 21.044 -19.172 -11.118 1.00 32.32 C ATOM 934 CD1 LEU A 53 21.926 -19.267 -9.882 1.00 43.20 C ATOM 935 CD2 LEU A 53 19.989 -20.268 -11.107 1.00 74.21 C ATOM 0 H LEU A 53 18.133 -16.912 -11.662 1.00 54.05 H new ATOM 0 HA LEU A 53 19.171 -18.355 -9.522 1.00 42.53 H new ATOM 0 HB2 LEU A 53 19.860 -17.724 -12.155 1.00 62.41 H new ATOM 0 HB3 LEU A 53 21.171 -17.039 -11.216 1.00 62.41 H new ATOM 0 HG LEU A 53 21.671 -19.308 -11.999 1.00 32.32 H new ATOM 0 HD11 LEU A 53 22.386 -20.254 -9.838 1.00 43.20 H new ATOM 0 HD12 LEU A 53 22.705 -18.506 -9.931 1.00 43.20 H new ATOM 0 HD13 LEU A 53 21.320 -19.109 -8.990 1.00 43.20 H new ATOM 0 HD21 LEU A 53 20.476 -21.241 -11.046 1.00 74.21 H new ATOM 0 HD22 LEU A 53 19.335 -20.135 -10.245 1.00 74.21 H new ATOM 0 HD23 LEU A 53 19.399 -20.214 -12.022 1.00 74.21 H new ATOM 947 N LYS A 54 20.229 -16.853 -7.882 1.00 52.51 N ATOM 948 CA LYS A 54 20.827 -15.987 -6.873 1.00 32.02 C ATOM 949 C LYS A 54 22.181 -16.529 -6.424 1.00 72.53 C ATOM 950 O LYS A 54 22.302 -17.698 -6.061 1.00 52.44 O ATOM 951 CB LYS A 54 19.894 -15.853 -5.667 1.00 63.24 C ATOM 952 CG LYS A 54 18.601 -15.121 -5.979 1.00 54.22 C ATOM 953 CD LYS A 54 17.963 -14.556 -4.721 1.00 24.25 C ATOM 954 CE LYS A 54 17.327 -15.651 -3.878 1.00 41.14 C ATOM 955 NZ LYS A 54 16.096 -16.195 -4.516 1.00 15.43 N ATOM 0 H LYS A 54 19.980 -17.783 -7.545 1.00 52.51 H new ATOM 0 HA LYS A 54 20.978 -15.004 -7.318 1.00 32.02 H new ATOM 0 HB2 LYS A 54 19.657 -16.847 -5.289 1.00 63.24 H new ATOM 0 HB3 LYS A 54 20.417 -15.325 -4.870 1.00 63.24 H new ATOM 0 HG2 LYS A 54 18.800 -14.312 -6.682 1.00 54.22 H new ATOM 0 HG3 LYS A 54 17.904 -15.803 -6.467 1.00 54.22 H new ATOM 0 HD2 LYS A 54 18.717 -14.034 -4.132 1.00 24.25 H new ATOM 0 HD3 LYS A 54 17.207 -13.820 -4.994 1.00 24.25 H new ATOM 0 HE2 LYS A 54 18.045 -16.457 -3.727 1.00 41.14 H new ATOM 0 HE3 LYS A 54 17.081 -15.255 -2.893 1.00 41.14 H new ATOM 0 HZ1 LYS A 54 15.564 -16.758 -3.821 1.00 15.43 H new ATOM 0 HZ2 LYS A 54 15.503 -15.409 -4.852 1.00 15.43 H new ATOM 0 HZ3 LYS A 54 16.360 -16.798 -5.321 1.00 15.43 H new ATOM 969 N ASN A 55 23.195 -15.671 -6.451 1.00 34.24 N ATOM 970 CA ASN A 55 24.540 -16.065 -6.046 1.00 32.13 C ATOM 971 C ASN A 55 24.629 -16.215 -4.530 1.00 54.11 C ATOM 972 O ASN A 55 23.741 -15.779 -3.798 1.00 40.34 O ATOM 973 CB ASN A 55 25.563 -15.035 -6.528 1.00 32.20 C ATOM 974 CG ASN A 55 25.789 -15.103 -8.026 1.00 10.02 C ATOM 975 OD1 ASN A 55 25.523 -16.125 -8.660 1.00 2.34 O ATOM 976 ND2 ASN A 55 26.281 -14.011 -8.600 1.00 15.23 N ATOM 0 H ASN A 55 23.112 -14.699 -6.749 1.00 34.24 H new ATOM 0 HA ASN A 55 24.762 -17.029 -6.503 1.00 32.13 H new ATOM 0 HB2 ASN A 55 25.222 -14.035 -6.260 1.00 32.20 H new ATOM 0 HB3 ASN A 55 26.509 -15.198 -6.013 1.00 32.20 H new ATOM 0 HD21 ASN A 55 26.453 -13.997 -9.605 1.00 15.23 H new ATOM 0 HD22 ASN A 55 26.487 -13.187 -8.036 1.00 15.23 H new ATOM 983 N LYS A 56 25.709 -16.835 -4.064 1.00 63.23 N ATOM 984 CA LYS A 56 25.916 -17.042 -2.636 1.00 24.00 C ATOM 985 C LYS A 56 25.916 -15.712 -1.888 1.00 50.02 C ATOM 986 O LYS A 56 25.857 -14.646 -2.499 1.00 52.15 O ATOM 987 CB LYS A 56 27.238 -17.775 -2.393 1.00 44.45 C ATOM 988 CG LYS A 56 27.061 -19.228 -1.988 1.00 34.31 C ATOM 989 CD LYS A 56 28.342 -20.022 -2.185 1.00 43.13 C ATOM 990 CE LYS A 56 29.230 -19.961 -0.951 1.00 55.21 C ATOM 991 NZ LYS A 56 30.061 -18.726 -0.926 1.00 11.30 N ATOM 0 H LYS A 56 26.454 -17.203 -4.655 1.00 63.23 H new ATOM 0 HA LYS A 56 25.094 -17.651 -2.259 1.00 24.00 H new ATOM 0 HB2 LYS A 56 27.841 -17.730 -3.300 1.00 44.45 H new ATOM 0 HB3 LYS A 56 27.795 -17.254 -1.614 1.00 44.45 H new ATOM 0 HG2 LYS A 56 26.756 -19.281 -0.943 1.00 34.31 H new ATOM 0 HG3 LYS A 56 26.260 -19.676 -2.577 1.00 34.31 H new ATOM 0 HD2 LYS A 56 28.097 -21.061 -2.408 1.00 43.13 H new ATOM 0 HD3 LYS A 56 28.885 -19.631 -3.045 1.00 43.13 H new ATOM 0 HE2 LYS A 56 28.610 -20.000 -0.055 1.00 55.21 H new ATOM 0 HE3 LYS A 56 29.879 -20.836 -0.927 1.00 55.21 H new ATOM 0 HZ1 LYS A 56 30.923 -18.899 -0.370 1.00 11.30 H new ATOM 0 HZ2 LYS A 56 30.323 -18.464 -1.898 1.00 11.30 H new ATOM 0 HZ3 LYS A 56 29.519 -17.951 -0.493 1.00 11.30 H new ATOM 1005 N ASN A 57 25.985 -15.784 -0.563 1.00 41.01 N ATOM 1006 CA ASN A 57 25.992 -14.585 0.268 1.00 23.54 C ATOM 1007 C ASN A 57 27.292 -13.806 0.085 1.00 62.32 C ATOM 1008 O ASN A 57 28.380 -14.319 0.346 1.00 14.20 O ATOM 1009 CB ASN A 57 25.813 -14.959 1.741 1.00 53.34 C ATOM 1010 CG ASN A 57 24.446 -15.552 2.024 1.00 41.03 C ATOM 1011 OD1 ASN A 57 23.443 -14.839 2.060 1.00 22.22 O ATOM 1012 ND2 ASN A 57 24.400 -16.864 2.225 1.00 31.42 N ATOM 0 H ASN A 57 26.037 -16.659 -0.042 1.00 41.01 H new ATOM 0 HA ASN A 57 25.161 -13.952 -0.043 1.00 23.54 H new ATOM 0 HB2 ASN A 57 26.583 -15.675 2.028 1.00 53.34 H new ATOM 0 HB3 ASN A 57 25.956 -14.072 2.358 1.00 53.34 H new ATOM 0 HD21 ASN A 57 23.508 -17.319 2.418 1.00 31.42 H new ATOM 0 HD22 ASN A 57 25.257 -17.416 2.186 1.00 31.42 H new ATOM 1019 N LYS A 58 27.170 -12.562 -0.364 1.00 64.35 N ATOM 1020 CA LYS A 58 28.332 -11.708 -0.582 1.00 35.45 C ATOM 1021 C LYS A 58 28.481 -10.693 0.548 1.00 52.15 C ATOM 1022 O LYS A 58 27.668 -9.780 0.685 1.00 61.44 O ATOM 1023 CB LYS A 58 28.214 -10.981 -1.923 1.00 4.33 C ATOM 1024 CG LYS A 58 29.550 -10.538 -2.494 1.00 71.13 C ATOM 1025 CD LYS A 58 29.372 -9.486 -3.576 1.00 30.34 C ATOM 1026 CE LYS A 58 29.056 -10.119 -4.923 1.00 20.21 C ATOM 1027 NZ LYS A 58 27.601 -10.398 -5.077 1.00 4.31 N ATOM 0 H LYS A 58 26.277 -12.122 -0.584 1.00 64.35 H new ATOM 0 HA LYS A 58 29.219 -12.342 -0.597 1.00 35.45 H new ATOM 0 HB2 LYS A 58 27.721 -11.637 -2.640 1.00 4.33 H new ATOM 0 HB3 LYS A 58 27.574 -10.108 -1.798 1.00 4.33 H new ATOM 0 HG2 LYS A 58 30.174 -10.137 -1.695 1.00 71.13 H new ATOM 0 HG3 LYS A 58 30.075 -11.400 -2.906 1.00 71.13 H new ATOM 0 HD2 LYS A 58 28.568 -8.806 -3.295 1.00 30.34 H new ATOM 0 HD3 LYS A 58 30.280 -8.889 -3.657 1.00 30.34 H new ATOM 0 HE2 LYS A 58 29.385 -9.455 -5.722 1.00 20.21 H new ATOM 0 HE3 LYS A 58 29.617 -11.048 -5.029 1.00 20.21 H new ATOM 0 HZ1 LYS A 58 27.457 -11.417 -5.224 1.00 4.31 H new ATOM 0 HZ2 LYS A 58 27.097 -10.097 -4.218 1.00 4.31 H new ATOM 0 HZ3 LYS A 58 27.232 -9.875 -5.896 1.00 4.31 H new ATOM 1041 N ALA A 59 29.525 -10.860 1.353 1.00 40.24 N ATOM 1042 CA ALA A 59 29.780 -9.955 2.468 1.00 34.13 C ATOM 1043 C ALA A 59 30.283 -8.603 1.973 1.00 15.52 C ATOM 1044 O ALA A 59 29.756 -7.559 2.356 1.00 63.52 O ATOM 1045 CB ALA A 59 30.784 -10.575 3.429 1.00 30.21 C ATOM 0 H ALA A 59 30.207 -11.612 1.255 1.00 40.24 H new ATOM 0 HA ALA A 59 28.840 -9.792 2.996 1.00 34.13 H new ATOM 0 HB1 ALA A 59 30.966 -9.890 4.257 1.00 30.21 H new ATOM 0 HB2 ALA A 59 30.386 -11.513 3.815 1.00 30.21 H new ATOM 0 HB3 ALA A 59 31.720 -10.766 2.904 1.00 30.21 H new ATOM 1051 N GLU A 60 31.305 -8.632 1.123 1.00 2.30 N ATOM 1052 CA GLU A 60 31.878 -7.406 0.580 1.00 71.24 C ATOM 1053 C GLU A 60 32.347 -6.481 1.698 1.00 44.42 C ATOM 1054 O GLU A 60 32.206 -5.261 1.608 1.00 15.23 O ATOM 1055 CB GLU A 60 30.855 -6.684 -0.300 1.00 21.21 C ATOM 1056 CG GLU A 60 31.481 -5.878 -1.426 1.00 44.33 C ATOM 1057 CD GLU A 60 30.635 -4.686 -1.828 1.00 64.51 C ATOM 1058 OE1 GLU A 60 29.435 -4.879 -2.116 1.00 34.54 O ATOM 1059 OE2 GLU A 60 31.173 -3.559 -1.857 1.00 55.22 O ATOM 0 H GLU A 60 31.752 -9.489 0.796 1.00 2.30 H new ATOM 0 HA GLU A 60 32.741 -7.678 -0.027 1.00 71.24 H new ATOM 0 HB2 GLU A 60 30.172 -7.419 -0.727 1.00 21.21 H new ATOM 0 HB3 GLU A 60 30.258 -6.018 0.323 1.00 21.21 H new ATOM 0 HG2 GLU A 60 32.467 -5.531 -1.116 1.00 44.33 H new ATOM 0 HG3 GLU A 60 31.628 -6.523 -2.292 1.00 44.33 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.096 12.857 -4.664 1.00 32.30 ZN