USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=-0.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -155:sc= -2.36 (180deg=-3.74!) USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= -0.911 (180deg=-3.3!) USER MOD Single : A 8 LYS NZ :NH3+ -119:sc= -0.731 (180deg=-3.74!) USER MOD Single : A -1 SER OG : rot 180:sc= -0.0388 USER MOD Single : A -2 GLY N :NH3+ -94:sc= 0.0553 (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= -0.302 USER MOD Single : A 16 THR OG1 : rot 42:sc= -0.0907 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= -2.77 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -130:sc= -0.3 (180deg=-2.01!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -151:sc= -0.336 (180deg=-1.51!) 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= -0.317 X(o=-0.32,f=-0.016) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 29.313 0.020 1.942 1.00 72.31 N ATOM 2 CA GLY A -2 28.056 -0.702 2.018 1.00 10.22 C ATOM 3 C GLY A -2 27.497 -0.744 3.427 1.00 35.51 C ATOM 4 O GLY A -2 28.217 -0.503 4.395 1.00 30.44 O ATOM 0 H1 GLY A -2 29.129 1.012 1.688 1.00 72.31 H new ATOM 0 H2 GLY A -2 29.792 -0.018 2.865 1.00 72.31 H new ATOM 0 H3 GLY A -2 29.920 -0.416 1.219 1.00 72.31 H new ATOM 0 HA2 GLY A -2 27.329 -0.231 1.356 1.00 10.22 H new ATOM 0 HA3 GLY A -2 28.203 -1.720 1.658 1.00 10.22 H new ATOM 8 N SER A -1 26.209 -1.049 3.541 1.00 14.15 N ATOM 9 CA SER A -1 25.551 -1.117 4.841 1.00 55.50 C ATOM 10 C SER A -1 24.344 -2.048 4.792 1.00 22.23 C ATOM 11 O SER A -1 23.559 -2.018 3.843 1.00 44.43 O ATOM 12 CB SER A -1 25.113 0.280 5.287 1.00 25.30 C ATOM 13 OG SER A -1 26.232 1.134 5.460 1.00 22.25 O ATOM 0 H SER A -1 25.600 -1.253 2.749 1.00 14.15 H new ATOM 0 HA SER A -1 26.265 -1.515 5.562 1.00 55.50 H new ATOM 0 HB2 SER A -1 24.437 0.707 4.546 1.00 25.30 H new ATOM 0 HB3 SER A -1 24.557 0.209 6.222 1.00 25.30 H new ATOM 0 HG SER A -1 25.926 2.021 5.743 1.00 22.25 H new ATOM 19 N HIS A 0 24.202 -2.878 5.821 1.00 40.14 N ATOM 20 CA HIS A 0 23.091 -3.820 5.897 1.00 40.31 C ATOM 21 C HIS A 0 21.803 -3.109 6.301 1.00 55.45 C ATOM 22 O HIS A 0 21.823 -2.178 7.107 1.00 31.04 O ATOM 23 CB HIS A 0 23.406 -4.933 6.895 1.00 24.51 C ATOM 24 CG HIS A 0 24.430 -5.909 6.400 1.00 23.11 C ATOM 25 ND1 HIS A 0 24.458 -6.377 5.104 1.00 20.21 N ATOM 26 CD2 HIS A 0 25.467 -6.503 7.035 1.00 25.34 C ATOM 27 CE1 HIS A 0 25.466 -7.220 4.964 1.00 54.32 C ATOM 28 NE2 HIS A 0 26.095 -7.313 6.122 1.00 12.15 N ATOM 0 H HIS A 0 24.843 -2.917 6.614 1.00 40.14 H new ATOM 0 HA HIS A 0 22.950 -4.258 4.909 1.00 40.31 H new ATOM 0 HB2 HIS A 0 23.760 -4.487 7.824 1.00 24.51 H new ATOM 0 HB3 HIS A 0 22.487 -5.470 7.129 1.00 24.51 H new ATOM 0 HD2 HIS A 0 25.748 -6.365 8.069 1.00 25.34 H new ATOM 0 HE1 HIS A 0 25.731 -7.744 4.057 1.00 54.32 H new ATOM 0 HE2 HIS A 0 26.914 -7.892 6.307 1.00 12.15 H new ATOM 36 N MET A 1 20.685 -3.552 5.735 1.00 71.40 N ATOM 37 CA MET A 1 19.388 -2.958 6.037 1.00 41.14 C ATOM 38 C MET A 1 18.385 -4.027 6.458 1.00 31.13 C ATOM 39 O MET A 1 18.563 -5.209 6.164 1.00 72.54 O ATOM 40 CB MET A 1 18.859 -2.194 4.823 1.00 12.13 C ATOM 41 CG MET A 1 18.633 -3.072 3.603 1.00 12.04 C ATOM 42 SD MET A 1 20.094 -3.191 2.553 1.00 53.21 S ATOM 43 CE MET A 1 19.348 -3.620 0.982 1.00 72.01 C ATOM 0 H MET A 1 20.651 -4.320 5.065 1.00 71.40 H new ATOM 0 HA MET A 1 19.519 -2.262 6.866 1.00 41.14 H new ATOM 0 HB2 MET A 1 17.920 -1.709 5.090 1.00 12.13 H new ATOM 0 HB3 MET A 1 19.564 -1.404 4.566 1.00 12.13 H new ATOM 0 HG2 MET A 1 18.341 -4.071 3.928 1.00 12.04 H new ATOM 0 HG3 MET A 1 17.803 -2.671 3.021 1.00 12.04 H new ATOM 0 HE1 MET A 1 20.127 -3.729 0.227 1.00 72.01 H new ATOM 0 HE2 MET A 1 18.805 -4.560 1.082 1.00 72.01 H new ATOM 0 HE3 MET A 1 18.657 -2.833 0.680 1.00 72.01 H new ATOM 53 N VAL A 2 17.330 -3.604 7.147 1.00 63.42 N ATOM 54 CA VAL A 2 16.298 -4.526 7.606 1.00 44.42 C ATOM 55 C VAL A 2 15.126 -4.570 6.632 1.00 41.23 C ATOM 56 O VAL A 2 14.793 -3.566 6.003 1.00 14.52 O ATOM 57 CB VAL A 2 15.777 -4.134 9.002 1.00 41.31 C ATOM 58 CG1 VAL A 2 15.077 -2.784 8.951 1.00 42.42 C ATOM 59 CG2 VAL A 2 14.844 -5.206 9.544 1.00 35.13 C ATOM 0 H VAL A 2 17.168 -2.629 7.399 1.00 63.42 H new ATOM 0 HA VAL A 2 16.757 -5.513 7.661 1.00 44.42 H new ATOM 0 HB VAL A 2 16.628 -4.051 9.677 1.00 41.31 H new ATOM 0 HG11 VAL A 2 14.716 -2.524 9.946 1.00 42.42 H new ATOM 0 HG12 VAL A 2 15.779 -2.023 8.609 1.00 42.42 H new ATOM 0 HG13 VAL A 2 14.235 -2.837 8.261 1.00 42.42 H new ATOM 0 HG21 VAL A 2 14.486 -4.912 10.531 1.00 35.13 H new ATOM 0 HG22 VAL A 2 13.995 -5.324 8.870 1.00 35.13 H new ATOM 0 HG23 VAL A 2 15.381 -6.151 9.620 1.00 35.13 H new ATOM 69 N GLU A 3 14.505 -5.738 6.514 1.00 32.11 N ATOM 70 CA GLU A 3 13.370 -5.913 5.615 1.00 4.20 C ATOM 71 C GLU A 3 12.069 -5.502 6.298 1.00 31.35 C ATOM 72 O GLU A 3 11.597 -6.175 7.214 1.00 72.54 O ATOM 73 CB GLU A 3 13.278 -7.367 5.149 1.00 63.22 C ATOM 74 CG GLU A 3 14.096 -7.659 3.901 1.00 24.13 C ATOM 75 CD GLU A 3 13.516 -8.792 3.076 1.00 44.33 C ATOM 76 OE1 GLU A 3 13.621 -9.957 3.514 1.00 3.11 O ATOM 77 OE2 GLU A 3 12.958 -8.514 1.995 1.00 40.33 O ATOM 0 H GLU A 3 14.768 -6.578 7.029 1.00 32.11 H new ATOM 0 HA GLU A 3 13.524 -5.272 4.747 1.00 4.20 H new ATOM 0 HB2 GLU A 3 13.614 -8.020 5.955 1.00 63.22 H new ATOM 0 HB3 GLU A 3 12.234 -7.612 4.955 1.00 63.22 H new ATOM 0 HG2 GLU A 3 14.151 -6.759 3.288 1.00 24.13 H new ATOM 0 HG3 GLU A 3 15.116 -7.910 4.190 1.00 24.13 H new ATOM 84 N MET A 4 11.493 -4.394 5.843 1.00 24.12 N ATOM 85 CA MET A 4 10.245 -3.894 6.410 1.00 52.23 C ATOM 86 C MET A 4 9.328 -3.360 5.315 1.00 34.25 C ATOM 87 O MET A 4 9.792 -2.908 4.268 1.00 13.24 O ATOM 88 CB MET A 4 10.529 -2.794 7.434 1.00 64.30 C ATOM 89 CG MET A 4 10.781 -3.322 8.838 1.00 54.31 C ATOM 90 SD MET A 4 9.260 -3.789 9.687 1.00 74.24 S ATOM 91 CE MET A 4 9.826 -5.192 10.646 1.00 53.33 C ATOM 0 H MET A 4 11.870 -3.826 5.084 1.00 24.12 H new ATOM 0 HA MET A 4 9.743 -4.723 6.909 1.00 52.23 H new ATOM 0 HB2 MET A 4 11.397 -2.221 7.109 1.00 64.30 H new ATOM 0 HB3 MET A 4 9.684 -2.106 7.460 1.00 64.30 H new ATOM 0 HG2 MET A 4 11.442 -4.187 8.784 1.00 54.31 H new ATOM 0 HG3 MET A 4 11.299 -2.560 9.421 1.00 54.31 H new ATOM 0 HE1 MET A 4 8.996 -5.594 11.228 1.00 53.33 H new ATOM 0 HE2 MET A 4 10.205 -5.963 9.975 1.00 53.33 H new ATOM 0 HE3 MET A 4 10.622 -4.875 11.320 1.00 53.33 H new ATOM 101 N ARG A 5 8.023 -3.416 5.563 1.00 11.24 N ATOM 102 CA ARG A 5 7.040 -2.939 4.597 1.00 1.23 C ATOM 103 C ARG A 5 7.185 -1.437 4.371 1.00 53.13 C ATOM 104 O ARG A 5 7.606 -0.703 5.263 1.00 12.42 O ATOM 105 CB ARG A 5 5.623 -3.258 5.079 1.00 65.33 C ATOM 106 CG ARG A 5 4.534 -2.715 4.170 1.00 74.24 C ATOM 107 CD ARG A 5 4.010 -1.376 4.665 1.00 62.45 C ATOM 108 NE ARG A 5 2.708 -1.503 5.313 1.00 33.42 N ATOM 109 CZ ARG A 5 1.560 -1.570 4.649 1.00 74.11 C ATOM 110 NH1 ARG A 5 1.553 -1.521 3.323 1.00 24.03 N ATOM 111 NH2 ARG A 5 0.415 -1.685 5.309 1.00 22.54 N ATOM 0 H ARG A 5 7.622 -3.787 6.424 1.00 11.24 H new ATOM 0 HA ARG A 5 7.219 -3.451 3.651 1.00 1.23 H new ATOM 0 HB2 ARG A 5 5.511 -4.339 5.160 1.00 65.33 H new ATOM 0 HB3 ARG A 5 5.488 -2.847 6.080 1.00 65.33 H new ATOM 0 HG2 ARG A 5 4.925 -2.602 3.159 1.00 74.24 H new ATOM 0 HG3 ARG A 5 3.713 -3.430 4.116 1.00 74.24 H new ATOM 0 HD2 ARG A 5 4.724 -0.945 5.367 1.00 62.45 H new ATOM 0 HD3 ARG A 5 3.931 -0.685 3.826 1.00 62.45 H new ATOM 0 HE ARG A 5 2.679 -1.542 6.332 1.00 33.42 H new ATOM 0 HH11 ARG A 5 2.431 -1.432 2.811 1.00 24.03 H new ATOM 0 HH12 ARG A 5 0.670 -1.573 2.815 1.00 24.03 H new ATOM 0 HH21 ARG A 5 0.415 -1.722 6.328 1.00 22.54 H new ATOM 0 HH22 ARG A 5 -0.466 -1.736 4.797 1.00 22.54 H new ATOM 125 N MET A 6 6.834 -0.989 3.170 1.00 31.02 N ATOM 126 CA MET A 6 6.925 0.425 2.825 1.00 43.51 C ATOM 127 C MET A 6 6.330 0.689 1.446 1.00 3.40 C ATOM 128 O MET A 6 6.228 -0.217 0.619 1.00 74.14 O ATOM 129 CB MET A 6 8.382 0.889 2.861 1.00 63.24 C ATOM 130 CG MET A 6 8.539 2.394 2.999 1.00 44.22 C ATOM 131 SD MET A 6 10.118 2.865 3.731 1.00 72.12 S ATOM 132 CE MET A 6 9.591 3.405 5.355 1.00 32.12 C ATOM 0 H MET A 6 6.484 -1.585 2.420 1.00 31.02 H new ATOM 0 HA MET A 6 6.353 0.989 3.562 1.00 43.51 H new ATOM 0 HB2 MET A 6 8.889 0.402 3.694 1.00 63.24 H new ATOM 0 HB3 MET A 6 8.881 0.562 1.949 1.00 63.24 H new ATOM 0 HG2 MET A 6 8.447 2.856 2.016 1.00 44.22 H new ATOM 0 HG3 MET A 6 7.728 2.785 3.613 1.00 44.22 H new ATOM 0 HE1 MET A 6 10.317 4.112 5.756 1.00 32.12 H new ATOM 0 HE2 MET A 6 8.617 3.888 5.279 1.00 32.12 H new ATOM 0 HE3 MET A 6 9.518 2.544 6.019 1.00 32.12 H new ATOM 142 N LYS A 7 5.936 1.935 1.204 1.00 44.11 N ATOM 143 CA LYS A 7 5.351 2.319 -0.074 1.00 11.22 C ATOM 144 C LYS A 7 6.066 3.534 -0.657 1.00 10.23 C ATOM 145 O LYS A 7 6.942 4.117 -0.018 1.00 11.12 O ATOM 146 CB LYS A 7 3.860 2.622 0.094 1.00 73.35 C ATOM 147 CG LYS A 7 3.559 3.585 1.229 1.00 60.11 C ATOM 148 CD LYS A 7 2.213 3.290 1.869 1.00 33.04 C ATOM 149 CE LYS A 7 1.081 3.392 0.857 1.00 61.34 C ATOM 150 NZ LYS A 7 -0.240 3.077 1.469 1.00 53.25 N ATOM 0 H LYS A 7 6.012 2.697 1.878 1.00 44.11 H new ATOM 0 HA LYS A 7 5.470 1.484 -0.765 1.00 11.22 H new ATOM 0 HB2 LYS A 7 3.476 3.039 -0.837 1.00 73.35 H new ATOM 0 HB3 LYS A 7 3.326 1.688 0.270 1.00 73.35 H new ATOM 0 HG2 LYS A 7 4.344 3.517 1.982 1.00 60.11 H new ATOM 0 HG3 LYS A 7 3.567 4.608 0.851 1.00 60.11 H new ATOM 0 HD2 LYS A 7 2.226 2.290 2.302 1.00 33.04 H new ATOM 0 HD3 LYS A 7 2.036 3.989 2.686 1.00 33.04 H new ATOM 0 HE2 LYS A 7 1.057 4.398 0.439 1.00 61.34 H new ATOM 0 HE3 LYS A 7 1.271 2.708 0.030 1.00 61.34 H new ATOM 0 HZ1 LYS A 7 -0.765 2.430 0.847 1.00 53.25 H new ATOM 0 HZ2 LYS A 7 -0.095 2.626 2.395 1.00 53.25 H new ATOM 0 HZ3 LYS A 7 -0.783 3.955 1.593 1.00 53.25 H new ATOM 164 N LYS A 8 5.684 3.913 -1.872 1.00 75.11 N ATOM 165 CA LYS A 8 6.286 5.061 -2.540 1.00 63.20 C ATOM 166 C LYS A 8 5.248 5.820 -3.359 1.00 33.24 C ATOM 167 O LYS A 8 4.292 5.230 -3.867 1.00 60.22 O ATOM 168 CB LYS A 8 7.433 4.606 -3.446 1.00 11.34 C ATOM 169 CG LYS A 8 8.176 5.753 -4.109 1.00 3.54 C ATOM 170 CD LYS A 8 9.196 5.249 -5.115 1.00 42.25 C ATOM 171 CE LYS A 8 8.586 5.095 -6.499 1.00 35.44 C ATOM 172 NZ LYS A 8 8.684 3.694 -6.995 1.00 21.43 N ATOM 0 H LYS A 8 4.960 3.442 -2.414 1.00 75.11 H new ATOM 0 HA LYS A 8 6.679 5.730 -1.775 1.00 63.20 H new ATOM 0 HB2 LYS A 8 8.138 4.019 -2.858 1.00 11.34 H new ATOM 0 HB3 LYS A 8 7.036 3.947 -4.218 1.00 11.34 H new ATOM 0 HG2 LYS A 8 7.463 6.408 -4.609 1.00 3.54 H new ATOM 0 HG3 LYS A 8 8.678 6.350 -3.348 1.00 3.54 H new ATOM 0 HD2 LYS A 8 10.036 5.942 -5.162 1.00 42.25 H new ATOM 0 HD3 LYS A 8 9.593 4.290 -4.783 1.00 42.25 H new ATOM 0 HE2 LYS A 8 7.539 5.398 -6.470 1.00 35.44 H new ATOM 0 HE3 LYS A 8 9.092 5.763 -7.196 1.00 35.44 H new ATOM 0 HZ1 LYS A 8 9.249 3.674 -7.868 1.00 21.43 H new ATOM 0 HZ2 LYS A 8 9.141 3.101 -6.273 1.00 21.43 H new ATOM 0 HZ3 LYS A 8 7.731 3.328 -7.191 1.00 21.43 H new ATOM 186 N CYS A 9 5.440 7.128 -3.484 1.00 21.23 N ATOM 187 CA CYS A 9 4.520 7.967 -4.243 1.00 4.34 C ATOM 188 C CYS A 9 4.668 7.721 -5.741 1.00 45.42 C ATOM 189 O CYS A 9 5.721 7.959 -6.332 1.00 65.43 O ATOM 190 CB CYS A 9 4.766 9.444 -3.928 1.00 33.25 C ATOM 191 SG CYS A 9 3.582 10.571 -4.702 1.00 25.42 S ATOM 0 H CYS A 9 6.225 7.631 -3.069 1.00 21.23 H new ATOM 0 HA CYS A 9 3.503 7.705 -3.950 1.00 4.34 H new ATOM 0 HB2 CYS A 9 4.732 9.585 -2.848 1.00 33.25 H new ATOM 0 HB3 CYS A 9 5.772 9.711 -4.253 1.00 33.25 H new ATOM 196 N PRO A 10 3.589 7.234 -6.370 1.00 54.04 N ATOM 197 CA PRO A 10 3.575 6.945 -7.808 1.00 23.51 C ATOM 198 C PRO A 10 3.618 8.212 -8.655 1.00 25.34 C ATOM 199 O PRO A 10 3.713 8.148 -9.880 1.00 54.02 O ATOM 200 CB PRO A 10 2.246 6.211 -8.008 1.00 72.53 C ATOM 201 CG PRO A 10 1.380 6.685 -6.893 1.00 72.20 C ATOM 202 CD PRO A 10 2.299 6.928 -5.728 1.00 61.14 C ATOM 0 HA PRO A 10 4.447 6.369 -8.117 1.00 23.51 H new ATOM 0 HB2 PRO A 10 1.806 6.445 -8.978 1.00 72.53 H new ATOM 0 HB3 PRO A 10 2.381 5.130 -7.972 1.00 72.53 H new ATOM 0 HG2 PRO A 10 0.852 7.597 -7.170 1.00 72.20 H new ATOM 0 HG3 PRO A 10 0.623 5.941 -6.644 1.00 72.20 H new ATOM 0 HD2 PRO A 10 1.952 7.755 -5.108 1.00 61.14 H new ATOM 0 HD3 PRO A 10 2.369 6.053 -5.082 1.00 61.14 H new ATOM 210 N LYS A 11 3.548 9.362 -7.994 1.00 23.13 N ATOM 211 CA LYS A 11 3.580 10.645 -8.685 1.00 72.31 C ATOM 212 C LYS A 11 4.990 11.226 -8.688 1.00 73.44 C ATOM 213 O LYS A 11 5.456 11.746 -9.703 1.00 1.33 O ATOM 214 CB LYS A 11 2.612 11.629 -8.023 1.00 70.33 C ATOM 215 CG LYS A 11 1.388 11.938 -8.866 1.00 1.31 C ATOM 216 CD LYS A 11 0.578 10.685 -9.154 1.00 5.21 C ATOM 217 CE LYS A 11 -0.887 11.012 -9.401 1.00 52.31 C ATOM 218 NZ LYS A 11 -1.177 11.193 -10.851 1.00 30.42 N ATOM 0 H LYS A 11 3.469 9.432 -6.979 1.00 23.13 H new ATOM 0 HA LYS A 11 3.271 10.481 -9.718 1.00 72.31 H new ATOM 0 HB2 LYS A 11 2.289 11.220 -7.066 1.00 70.33 H new ATOM 0 HB3 LYS A 11 3.141 12.558 -7.811 1.00 70.33 H new ATOM 0 HG2 LYS A 11 0.763 12.665 -8.348 1.00 1.31 H new ATOM 0 HG3 LYS A 11 1.698 12.396 -9.805 1.00 1.31 H new ATOM 0 HD2 LYS A 11 0.990 10.176 -10.026 1.00 5.21 H new ATOM 0 HD3 LYS A 11 0.661 9.996 -8.314 1.00 5.21 H new ATOM 0 HE2 LYS A 11 -1.510 10.211 -9.003 1.00 52.31 H new ATOM 0 HE3 LYS A 11 -1.153 11.921 -8.861 1.00 52.31 H new ATOM 0 HZ1 LYS A 11 -2.185 11.414 -10.978 1.00 30.42 H new ATOM 0 HZ2 LYS A 11 -0.601 11.974 -11.225 1.00 30.42 H new ATOM 0 HZ3 LYS A 11 -0.948 10.317 -11.363 1.00 30.42 H new ATOM 232 N CYS A 12 5.666 11.133 -7.548 1.00 35.55 N ATOM 233 CA CYS A 12 7.024 11.649 -7.420 1.00 60.02 C ATOM 234 C CYS A 12 8.030 10.509 -7.291 1.00 14.35 C ATOM 235 O CYS A 12 8.966 10.403 -8.081 1.00 74.42 O ATOM 236 CB CYS A 12 7.128 12.574 -6.207 1.00 52.30 C ATOM 237 SG CYS A 12 5.743 13.725 -6.037 1.00 43.33 S ATOM 0 H CYS A 12 5.296 10.705 -6.699 1.00 35.55 H new ATOM 0 HA CYS A 12 7.257 12.215 -8.322 1.00 60.02 H new ATOM 0 HB2 CYS A 12 7.195 11.966 -5.305 1.00 52.30 H new ATOM 0 HB3 CYS A 12 8.054 13.144 -6.276 1.00 52.30 H new ATOM 242 N GLY A 13 7.827 9.659 -6.290 1.00 22.34 N ATOM 243 CA GLY A 13 8.724 8.538 -6.076 1.00 65.33 C ATOM 244 C GLY A 13 9.393 8.584 -4.716 1.00 20.44 C ATOM 245 O GLY A 13 10.527 8.130 -4.558 1.00 62.41 O ATOM 0 H GLY A 13 7.058 9.726 -5.623 1.00 22.34 H new ATOM 0 HA2 GLY A 13 8.166 7.606 -6.172 1.00 65.33 H new ATOM 0 HA3 GLY A 13 9.488 8.534 -6.854 1.00 65.33 H new ATOM 249 N LEU A 14 8.691 9.133 -3.731 1.00 64.32 N ATOM 250 CA LEU A 14 9.224 9.237 -2.377 1.00 52.42 C ATOM 251 C LEU A 14 8.739 8.081 -1.510 1.00 21.51 C ATOM 252 O LEU A 14 7.545 7.785 -1.462 1.00 53.31 O ATOM 253 CB LEU A 14 8.813 10.569 -1.748 1.00 43.41 C ATOM 254 CG LEU A 14 8.762 10.602 -0.219 1.00 10.42 C ATOM 255 CD1 LEU A 14 10.138 10.327 0.367 1.00 1.32 C ATOM 256 CD2 LEU A 14 8.231 11.943 0.268 1.00 2.34 C ATOM 0 H LEU A 14 7.751 9.513 -3.844 1.00 64.32 H new ATOM 0 HA LEU A 14 10.311 9.190 -2.436 1.00 52.42 H new ATOM 0 HB2 LEU A 14 9.509 11.337 -2.085 1.00 43.41 H new ATOM 0 HB3 LEU A 14 7.829 10.840 -2.130 1.00 43.41 H new ATOM 0 HG LEU A 14 8.083 9.820 0.120 1.00 10.42 H new ATOM 0 HD11 LEU A 14 10.082 10.355 1.455 1.00 1.32 H new ATOM 0 HD12 LEU A 14 10.480 9.343 0.046 1.00 1.32 H new ATOM 0 HD13 LEU A 14 10.839 11.086 0.020 1.00 1.32 H new ATOM 0 HD21 LEU A 14 8.202 11.949 1.358 1.00 2.34 H new ATOM 0 HD22 LEU A 14 8.885 12.742 -0.081 1.00 2.34 H new ATOM 0 HD23 LEU A 14 7.226 12.100 -0.123 1.00 2.34 H new ATOM 268 N TYR A 15 9.673 7.430 -0.824 1.00 41.03 N ATOM 269 CA TYR A 15 9.341 6.305 0.042 1.00 3.15 C ATOM 270 C TYR A 15 8.829 6.792 1.395 1.00 32.42 C ATOM 271 O TYR A 15 9.270 7.821 1.906 1.00 1.32 O ATOM 272 CB TYR A 15 10.564 5.408 0.239 1.00 30.05 C ATOM 273 CG TYR A 15 10.557 4.174 -0.635 1.00 51.32 C ATOM 274 CD1 TYR A 15 10.795 4.266 -2.001 1.00 63.01 C ATOM 275 CD2 TYR A 15 10.312 2.918 -0.096 1.00 64.21 C ATOM 276 CE1 TYR A 15 10.790 3.142 -2.804 1.00 31.23 C ATOM 277 CE2 TYR A 15 10.306 1.788 -0.891 1.00 70.11 C ATOM 278 CZ TYR A 15 10.545 1.906 -2.244 1.00 31.04 C ATOM 279 OH TYR A 15 10.539 0.783 -3.040 1.00 32.53 O ATOM 0 H TYR A 15 10.666 7.662 -0.851 1.00 41.03 H new ATOM 0 HA TYR A 15 8.551 5.729 -0.439 1.00 3.15 H new ATOM 0 HB2 TYR A 15 11.465 5.985 0.031 1.00 30.05 H new ATOM 0 HB3 TYR A 15 10.616 5.103 1.284 1.00 30.05 H new ATOM 0 HD1 TYR A 15 10.987 5.233 -2.442 1.00 63.01 H new ATOM 0 HD2 TYR A 15 10.123 2.823 0.963 1.00 64.21 H new ATOM 0 HE1 TYR A 15 10.977 3.231 -3.864 1.00 31.23 H new ATOM 0 HE2 TYR A 15 10.115 0.818 -0.455 1.00 70.11 H new ATOM 0 HH TYR A 15 10.352 -0.007 -2.490 1.00 32.53 H new ATOM 289 N THR A 16 7.894 6.042 1.970 1.00 4.10 N ATOM 290 CA THR A 16 7.321 6.394 3.263 1.00 13.42 C ATOM 291 C THR A 16 6.346 5.324 3.742 1.00 2.40 C ATOM 292 O THR A 16 6.142 4.311 3.072 1.00 1.43 O ATOM 293 CB THR A 16 6.589 7.749 3.202 1.00 72.15 C ATOM 294 OG1 THR A 16 6.198 8.154 4.519 1.00 72.14 O ATOM 295 CG2 THR A 16 5.362 7.661 2.308 1.00 42.41 C ATOM 0 H THR A 16 7.518 5.187 1.560 1.00 4.10 H new ATOM 0 HA THR A 16 8.150 6.468 3.967 1.00 13.42 H new ATOM 0 HB THR A 16 7.272 8.488 2.783 1.00 72.15 H new ATOM 0 HG1 THR A 16 6.926 7.968 5.148 1.00 72.14 H new ATOM 0 HG21 THR A 16 4.862 8.629 2.280 1.00 42.41 H new ATOM 0 HG22 THR A 16 5.666 7.381 1.299 1.00 42.41 H new ATOM 0 HG23 THR A 16 4.678 6.910 2.702 1.00 42.41 H new ATOM 303 N LEU A 17 5.747 5.556 4.905 1.00 30.23 N ATOM 304 CA LEU A 17 4.792 4.611 5.475 1.00 11.02 C ATOM 305 C LEU A 17 3.525 5.327 5.934 1.00 73.22 C ATOM 306 O LEU A 17 2.622 4.711 6.500 1.00 41.42 O ATOM 307 CB LEU A 17 5.423 3.864 6.650 1.00 32.01 C ATOM 308 CG LEU A 17 6.293 2.659 6.290 1.00 24.34 C ATOM 309 CD1 LEU A 17 7.340 2.417 7.365 1.00 63.43 C ATOM 310 CD2 LEU A 17 5.432 1.420 6.093 1.00 30.20 C ATOM 0 H LEU A 17 5.905 6.389 5.471 1.00 30.23 H new ATOM 0 HA LEU A 17 4.522 3.894 4.700 1.00 11.02 H new ATOM 0 HB2 LEU A 17 6.030 4.568 7.218 1.00 32.01 H new ATOM 0 HB3 LEU A 17 4.625 3.526 7.311 1.00 32.01 H new ATOM 0 HG LEU A 17 6.807 2.873 5.353 1.00 24.34 H new ATOM 0 HD11 LEU A 17 7.950 1.556 7.092 1.00 63.43 H new ATOM 0 HD12 LEU A 17 7.976 3.297 7.458 1.00 63.43 H new ATOM 0 HD13 LEU A 17 6.846 2.224 8.317 1.00 63.43 H new ATOM 0 HD21 LEU A 17 6.068 0.572 5.837 1.00 30.20 H new ATOM 0 HD22 LEU A 17 4.891 1.203 7.014 1.00 30.20 H new ATOM 0 HD23 LEU A 17 4.720 1.596 5.286 1.00 30.20 H new ATOM 322 N LYS A 18 3.465 6.630 5.683 1.00 75.22 N ATOM 323 CA LYS A 18 2.308 7.431 6.066 1.00 63.04 C ATOM 324 C LYS A 18 1.181 7.280 5.050 1.00 1.30 C ATOM 325 O LYS A 18 0.113 7.872 5.202 1.00 41.54 O ATOM 326 CB LYS A 18 2.701 8.905 6.192 1.00 25.41 C ATOM 327 CG LYS A 18 3.627 9.189 7.363 1.00 64.53 C ATOM 328 CD LYS A 18 3.248 10.477 8.073 1.00 62.02 C ATOM 329 CE LYS A 18 3.592 11.698 7.234 1.00 42.13 C ATOM 330 NZ LYS A 18 3.354 12.968 7.976 1.00 24.45 N ATOM 0 H LYS A 18 4.205 7.155 5.216 1.00 75.22 H new ATOM 0 HA LYS A 18 1.953 7.072 7.032 1.00 63.04 H new ATOM 0 HB2 LYS A 18 3.187 9.223 5.270 1.00 25.41 H new ATOM 0 HB3 LYS A 18 1.798 9.505 6.300 1.00 25.41 H new ATOM 0 HG2 LYS A 18 3.589 8.359 8.068 1.00 64.53 H new ATOM 0 HG3 LYS A 18 4.655 9.258 7.007 1.00 64.53 H new ATOM 0 HD2 LYS A 18 2.180 10.473 8.291 1.00 62.02 H new ATOM 0 HD3 LYS A 18 3.768 10.533 9.029 1.00 62.02 H new ATOM 0 HE2 LYS A 18 4.637 11.646 6.929 1.00 42.13 H new ATOM 0 HE3 LYS A 18 2.994 11.692 6.323 1.00 42.13 H new ATOM 0 HZ1 LYS A 18 3.601 13.776 7.369 1.00 24.45 H new ATOM 0 HZ2 LYS A 18 2.351 13.030 8.245 1.00 24.45 H new ATOM 0 HZ3 LYS A 18 3.944 12.985 8.832 1.00 24.45 H new ATOM 344 N GLU A 19 1.426 6.483 4.015 1.00 53.13 N ATOM 345 CA GLU A 19 0.431 6.255 2.974 1.00 2.42 C ATOM 346 C GLU A 19 0.108 7.551 2.237 1.00 74.52 C ATOM 347 O GLU A 19 -0.841 7.612 1.454 1.00 40.00 O ATOM 348 CB GLU A 19 -0.847 5.668 3.580 1.00 52.42 C ATOM 349 CG GLU A 19 -0.611 4.411 4.400 1.00 53.14 C ATOM 350 CD GLU A 19 -1.667 3.351 4.159 1.00 4.35 C ATOM 351 OE1 GLU A 19 -2.799 3.718 3.780 1.00 35.43 O ATOM 352 OE2 GLU A 19 -1.364 2.156 4.351 1.00 64.33 O ATOM 0 H GLU A 19 2.305 5.984 3.875 1.00 53.13 H new ATOM 0 HA GLU A 19 0.846 5.545 2.259 1.00 2.42 H new ATOM 0 HB2 GLU A 19 -1.318 6.421 4.212 1.00 52.42 H new ATOM 0 HB3 GLU A 19 -1.549 5.441 2.777 1.00 52.42 H new ATOM 0 HG2 GLU A 19 0.370 4.003 4.158 1.00 53.14 H new ATOM 0 HG3 GLU A 19 -0.596 4.670 5.459 1.00 53.14 H new ATOM 359 N ILE A 20 0.904 8.584 2.491 1.00 43.30 N ATOM 360 CA ILE A 20 0.704 9.878 1.852 1.00 33.14 C ATOM 361 C ILE A 20 2.037 10.554 1.551 1.00 4.21 C ATOM 362 O ILE A 20 2.990 10.441 2.323 1.00 41.40 O ATOM 363 CB ILE A 20 -0.148 10.814 2.729 1.00 41.22 C ATOM 364 CG1 ILE A 20 -1.492 10.159 3.057 1.00 53.15 C ATOM 365 CG2 ILE A 20 -0.360 12.149 2.029 1.00 24.41 C ATOM 366 CD1 ILE A 20 -2.404 10.020 1.858 1.00 0.21 C ATOM 0 H ILE A 20 1.694 8.550 3.135 1.00 43.30 H new ATOM 0 HA ILE A 20 0.176 9.690 0.917 1.00 33.14 H new ATOM 0 HB ILE A 20 0.384 10.996 3.663 1.00 41.22 H new ATOM 0 HG12 ILE A 20 -1.312 9.172 3.483 1.00 53.15 H new ATOM 0 HG13 ILE A 20 -1.998 10.749 3.822 1.00 53.15 H new ATOM 0 HG21 ILE A 20 -0.964 12.800 2.661 1.00 24.41 H new ATOM 0 HG22 ILE A 20 0.605 12.619 1.842 1.00 24.41 H new ATOM 0 HG23 ILE A 20 -0.873 11.986 1.082 1.00 24.41 H new ATOM 0 HD11 ILE A 20 -3.338 9.548 2.164 1.00 0.21 H new ATOM 0 HD12 ILE A 20 -2.614 11.006 1.445 1.00 0.21 H new ATOM 0 HD13 ILE A 20 -1.918 9.405 1.100 1.00 0.21 H new ATOM 378 N CYS A 21 2.097 11.259 0.427 1.00 33.14 N ATOM 379 CA CYS A 21 3.313 11.955 0.024 1.00 43.33 C ATOM 380 C CYS A 21 3.355 13.362 0.613 1.00 33.24 C ATOM 381 O CYS A 21 2.570 14.237 0.249 1.00 54.33 O ATOM 382 CB CYS A 21 3.405 12.025 -1.500 1.00 55.25 C ATOM 383 SG CYS A 21 4.871 12.889 -2.113 1.00 20.13 S ATOM 0 H CYS A 21 1.317 11.364 -0.222 1.00 33.14 H new ATOM 0 HA CYS A 21 4.166 11.394 0.407 1.00 43.33 H new ATOM 0 HB2 CYS A 21 3.400 11.011 -1.900 1.00 55.25 H new ATOM 0 HB3 CYS A 21 2.515 12.524 -1.884 1.00 55.25 H new ATOM 388 N PRO A 22 4.291 13.585 1.548 1.00 35.40 N ATOM 389 CA PRO A 22 4.457 14.882 2.208 1.00 0.54 C ATOM 390 C PRO A 22 5.005 15.948 1.265 1.00 60.21 C ATOM 391 O PRO A 22 5.085 17.124 1.619 1.00 21.14 O ATOM 392 CB PRO A 22 5.462 14.587 3.324 1.00 71.23 C ATOM 393 CG PRO A 22 6.228 13.405 2.840 1.00 71.43 C ATOM 394 CD PRO A 22 5.260 12.587 2.031 1.00 52.03 C ATOM 0 HA PRO A 22 3.508 15.281 2.565 1.00 0.54 H new ATOM 0 HB2 PRO A 22 6.118 15.439 3.501 1.00 71.23 H new ATOM 0 HB3 PRO A 22 4.957 14.373 4.266 1.00 71.23 H new ATOM 0 HG2 PRO A 22 7.080 13.714 2.234 1.00 71.43 H new ATOM 0 HG3 PRO A 22 6.624 12.828 3.676 1.00 71.43 H new ATOM 0 HD2 PRO A 22 5.757 12.077 1.206 1.00 52.03 H new ATOM 0 HD3 PRO A 22 4.778 11.819 2.637 1.00 52.03 H new ATOM 402 N LYS A 23 5.382 15.528 0.062 1.00 74.12 N ATOM 403 CA LYS A 23 5.922 16.445 -0.935 1.00 24.22 C ATOM 404 C LYS A 23 4.800 17.161 -1.679 1.00 44.35 C ATOM 405 O LYS A 23 4.690 18.387 -1.624 1.00 23.10 O ATOM 406 CB LYS A 23 6.806 15.689 -1.928 1.00 72.20 C ATOM 407 CG LYS A 23 8.178 16.312 -2.120 1.00 52.12 C ATOM 408 CD LYS A 23 9.205 15.279 -2.550 1.00 62.21 C ATOM 409 CE LYS A 23 10.577 15.580 -1.965 1.00 34.21 C ATOM 410 NZ LYS A 23 11.580 14.546 -2.343 1.00 40.02 N ATOM 0 H LYS A 23 5.323 14.557 -0.246 1.00 74.12 H new ATOM 0 HA LYS A 23 6.525 17.191 -0.417 1.00 24.22 H new ATOM 0 HB2 LYS A 23 6.928 14.662 -1.584 1.00 72.20 H new ATOM 0 HB3 LYS A 23 6.299 15.644 -2.892 1.00 72.20 H new ATOM 0 HG2 LYS A 23 8.118 17.101 -2.870 1.00 52.12 H new ATOM 0 HG3 LYS A 23 8.499 16.780 -1.190 1.00 52.12 H new ATOM 0 HD2 LYS A 23 8.882 14.288 -2.231 1.00 62.21 H new ATOM 0 HD3 LYS A 23 9.269 15.259 -3.638 1.00 62.21 H new ATOM 0 HE2 LYS A 23 10.914 16.557 -2.313 1.00 34.21 H new ATOM 0 HE3 LYS A 23 10.504 15.636 -0.879 1.00 34.21 H new ATOM 0 HZ1 LYS A 23 12.501 14.787 -1.925 1.00 40.02 H new ATOM 0 HZ2 LYS A 23 11.272 13.618 -1.990 1.00 40.02 H new ATOM 0 HZ3 LYS A 23 11.668 14.510 -3.379 1.00 40.02 H new ATOM 424 N CYS A 24 3.970 16.391 -2.372 1.00 32.35 N ATOM 425 CA CYS A 24 2.856 16.953 -3.127 1.00 2.10 C ATOM 426 C CYS A 24 1.547 16.799 -2.360 1.00 43.00 C ATOM 427 O CYS A 24 0.685 17.677 -2.400 1.00 32.33 O ATOM 428 CB CYS A 24 2.743 16.273 -4.492 1.00 35.33 C ATOM 429 SG CYS A 24 2.423 14.495 -4.407 1.00 31.35 S ATOM 0 H CYS A 24 4.047 15.375 -2.427 1.00 32.35 H new ATOM 0 HA CYS A 24 3.048 18.016 -3.273 1.00 2.10 H new ATOM 0 HB2 CYS A 24 1.942 16.749 -5.058 1.00 35.33 H new ATOM 0 HB3 CYS A 24 3.667 16.439 -5.046 1.00 35.33 H new ATOM 434 N GLY A 25 1.405 15.677 -1.660 1.00 12.21 N ATOM 435 CA GLY A 25 0.197 15.428 -0.894 1.00 71.11 C ATOM 436 C GLY A 25 -0.677 14.359 -1.520 1.00 54.32 C ATOM 437 O GLY A 25 -1.894 14.364 -1.344 1.00 35.52 O ATOM 0 H GLY A 25 2.105 14.936 -1.610 1.00 12.21 H new ATOM 0 HA2 GLY A 25 0.468 15.125 0.117 1.00 71.11 H new ATOM 0 HA3 GLY A 25 -0.372 16.354 -0.808 1.00 71.11 H new ATOM 441 N GLU A 26 -0.054 13.443 -2.254 1.00 73.43 N ATOM 442 CA GLU A 26 -0.783 12.365 -2.911 1.00 4.45 C ATOM 443 C GLU A 26 -0.506 11.027 -2.231 1.00 1.22 C ATOM 444 O GLU A 26 0.630 10.728 -1.864 1.00 64.12 O ATOM 445 CB GLU A 26 -0.401 12.287 -4.390 1.00 35.13 C ATOM 446 CG GLU A 26 -0.935 11.050 -5.092 1.00 75.51 C ATOM 447 CD GLU A 26 -2.405 10.807 -4.811 1.00 62.31 C ATOM 448 OE1 GLU A 26 -3.158 11.797 -4.699 1.00 54.12 O ATOM 449 OE2 GLU A 26 -2.802 9.629 -4.703 1.00 22.15 O ATOM 0 H GLU A 26 0.954 13.426 -2.409 1.00 73.43 H new ATOM 0 HA GLU A 26 -1.848 12.580 -2.830 1.00 4.45 H new ATOM 0 HB2 GLU A 26 -0.775 13.174 -4.901 1.00 35.13 H new ATOM 0 HB3 GLU A 26 0.685 12.304 -4.477 1.00 35.13 H new ATOM 0 HG2 GLU A 26 -0.787 11.155 -6.167 1.00 75.51 H new ATOM 0 HG3 GLU A 26 -0.360 10.180 -4.774 1.00 75.51 H new ATOM 456 N LYS A 27 -1.552 10.226 -2.066 1.00 34.42 N ATOM 457 CA LYS A 27 -1.424 8.919 -1.432 1.00 34.10 C ATOM 458 C LYS A 27 -0.308 8.105 -2.082 1.00 12.22 C ATOM 459 O LYS A 27 -0.125 8.146 -3.299 1.00 55.22 O ATOM 460 CB LYS A 27 -2.745 8.154 -1.521 1.00 34.25 C ATOM 461 CG LYS A 27 -3.950 8.967 -1.080 1.00 23.43 C ATOM 462 CD LYS A 27 -4.973 8.102 -0.361 1.00 42.32 C ATOM 463 CE LYS A 27 -5.952 7.469 -1.338 1.00 64.41 C ATOM 464 NZ LYS A 27 -6.571 6.235 -0.779 1.00 61.23 N ATOM 0 H LYS A 27 -2.500 10.459 -2.363 1.00 34.42 H new ATOM 0 HA LYS A 27 -1.172 9.076 -0.383 1.00 34.10 H new ATOM 0 HB2 LYS A 27 -2.896 7.825 -2.549 1.00 34.25 H new ATOM 0 HB3 LYS A 27 -2.678 7.257 -0.906 1.00 34.25 H new ATOM 0 HG2 LYS A 27 -3.625 9.772 -0.421 1.00 23.43 H new ATOM 0 HG3 LYS A 27 -4.413 9.434 -1.949 1.00 23.43 H new ATOM 0 HD2 LYS A 27 -4.460 7.321 0.200 1.00 42.32 H new ATOM 0 HD3 LYS A 27 -5.519 8.708 0.362 1.00 42.32 H new ATOM 0 HE2 LYS A 27 -6.733 8.187 -1.586 1.00 64.41 H new ATOM 0 HE3 LYS A 27 -5.434 7.228 -2.266 1.00 64.41 H new ATOM 0 HZ1 LYS A 27 -7.232 5.833 -1.474 1.00 61.23 H new ATOM 0 HZ2 LYS A 27 -5.828 5.540 -0.565 1.00 61.23 H new ATOM 0 HZ3 LYS A 27 -7.086 6.470 0.093 1.00 61.23 H new ATOM 478 N THR A 28 0.433 7.366 -1.264 1.00 3.00 N ATOM 479 CA THR A 28 1.529 6.543 -1.759 1.00 0.31 C ATOM 480 C THR A 28 1.048 5.140 -2.112 1.00 4.11 C ATOM 481 O THR A 28 -0.002 4.697 -1.645 1.00 51.10 O ATOM 482 CB THR A 28 2.666 6.439 -0.724 1.00 0.43 C ATOM 483 OG1 THR A 28 2.122 6.422 0.600 1.00 0.12 O ATOM 484 CG2 THR A 28 3.634 7.603 -0.866 1.00 64.14 C ATOM 0 H THR A 28 0.294 7.320 -0.255 1.00 3.00 H new ATOM 0 HA THR A 28 1.909 7.030 -2.657 1.00 0.31 H new ATOM 0 HB THR A 28 3.210 5.512 -0.905 1.00 0.43 H new ATOM 0 HG1 THR A 28 2.818 6.673 1.243 1.00 0.12 H new ATOM 0 HG21 THR A 28 4.428 7.508 -0.125 1.00 64.14 H new ATOM 0 HG22 THR A 28 4.068 7.596 -1.866 1.00 64.14 H new ATOM 0 HG23 THR A 28 3.101 8.541 -0.709 1.00 64.14 H new ATOM 492 N VAL A 29 1.822 4.444 -2.937 1.00 72.34 N ATOM 493 CA VAL A 29 1.476 3.089 -3.351 1.00 33.10 C ATOM 494 C VAL A 29 2.697 2.178 -3.326 1.00 63.11 C ATOM 495 O VAL A 29 3.831 2.638 -3.468 1.00 31.42 O ATOM 496 CB VAL A 29 0.866 3.074 -4.765 1.00 23.44 C ATOM 497 CG1 VAL A 29 -0.321 4.021 -4.845 1.00 33.03 C ATOM 498 CG2 VAL A 29 1.918 3.434 -5.803 1.00 60.32 C ATOM 0 H VAL A 29 2.694 4.796 -3.333 1.00 72.34 H new ATOM 0 HA VAL A 29 0.737 2.719 -2.640 1.00 33.10 H new ATOM 0 HB VAL A 29 0.510 2.066 -4.977 1.00 23.44 H new ATOM 0 HG11 VAL A 29 -0.739 3.997 -5.852 1.00 33.03 H new ATOM 0 HG12 VAL A 29 -1.082 3.712 -4.129 1.00 33.03 H new ATOM 0 HG13 VAL A 29 0.006 5.034 -4.612 1.00 33.03 H new ATOM 0 HG21 VAL A 29 1.469 3.418 -6.796 1.00 60.32 H new ATOM 0 HG22 VAL A 29 2.307 4.431 -5.596 1.00 60.32 H new ATOM 0 HG23 VAL A 29 2.733 2.711 -5.761 1.00 60.32 H new ATOM 508 N ILE A 30 2.459 0.883 -3.144 1.00 72.13 N ATOM 509 CA ILE A 30 3.540 -0.094 -3.103 1.00 65.25 C ATOM 510 C ILE A 30 4.266 -0.169 -4.442 1.00 2.02 C ATOM 511 O ILE A 30 3.712 -0.603 -5.452 1.00 32.44 O ATOM 512 CB ILE A 30 3.018 -1.495 -2.735 1.00 23.43 C ATOM 513 CG1 ILE A 30 2.115 -1.419 -1.502 1.00 23.45 C ATOM 514 CG2 ILE A 30 4.181 -2.446 -2.488 1.00 12.22 C ATOM 515 CD1 ILE A 30 2.793 -0.813 -0.293 1.00 2.03 C ATOM 0 H ILE A 30 1.527 0.486 -3.023 1.00 72.13 H new ATOM 0 HA ILE A 30 4.237 0.239 -2.334 1.00 65.25 H new ATOM 0 HB ILE A 30 2.431 -1.878 -3.570 1.00 23.43 H new ATOM 0 HG12 ILE A 30 1.230 -0.831 -1.745 1.00 23.45 H new ATOM 0 HG13 ILE A 30 1.771 -2.422 -1.251 1.00 23.45 H new ATOM 0 HG21 ILE A 30 3.796 -3.432 -2.229 1.00 12.22 H new ATOM 0 HG22 ILE A 30 4.789 -2.519 -3.390 1.00 12.22 H new ATOM 0 HG23 ILE A 30 4.792 -2.068 -1.668 1.00 12.22 H new ATOM 0 HD11 ILE A 30 2.094 -0.791 0.543 1.00 2.03 H new ATOM 0 HD12 ILE A 30 3.662 -1.414 -0.024 1.00 2.03 H new ATOM 0 HD13 ILE A 30 3.112 0.203 -0.526 1.00 2.03 H new ATOM 527 N PRO A 31 5.535 0.262 -4.451 1.00 54.22 N ATOM 528 CA PRO A 31 6.365 0.252 -5.659 1.00 74.55 C ATOM 529 C PRO A 31 6.739 -1.162 -6.094 1.00 3.44 C ATOM 530 O PRO A 31 7.672 -1.761 -5.559 1.00 52.43 O ATOM 531 CB PRO A 31 7.615 1.029 -5.238 1.00 51.43 C ATOM 532 CG PRO A 31 7.684 0.862 -3.759 1.00 54.31 C ATOM 533 CD PRO A 31 6.260 0.793 -3.284 1.00 3.13 C ATOM 0 HA PRO A 31 5.845 0.685 -6.514 1.00 74.55 H new ATOM 0 HB2 PRO A 31 8.508 0.635 -5.723 1.00 51.43 H new ATOM 0 HB3 PRO A 31 7.539 2.081 -5.515 1.00 51.43 H new ATOM 0 HG2 PRO A 31 8.228 -0.044 -3.493 1.00 54.31 H new ATOM 0 HG3 PRO A 31 8.210 1.697 -3.296 1.00 54.31 H new ATOM 0 HD2 PRO A 31 6.157 0.141 -2.417 1.00 3.13 H new ATOM 0 HD3 PRO A 31 5.886 1.774 -2.991 1.00 3.13 H new ATOM 541 N LYS A 32 6.005 -1.690 -7.067 1.00 13.12 N ATOM 542 CA LYS A 32 6.259 -3.032 -7.576 1.00 70.21 C ATOM 543 C LYS A 32 7.694 -3.161 -8.077 1.00 22.33 C ATOM 544 O LYS A 32 8.368 -2.172 -8.364 1.00 64.34 O ATOM 545 CB LYS A 32 5.281 -3.366 -8.705 1.00 73.40 C ATOM 546 CG LYS A 32 4.140 -4.270 -8.274 1.00 24.31 C ATOM 547 CD LYS A 32 3.084 -4.393 -9.359 1.00 53.34 C ATOM 548 CE LYS A 32 2.263 -3.117 -9.485 1.00 74.45 C ATOM 549 NZ LYS A 32 0.907 -3.383 -10.038 1.00 11.11 N ATOM 0 H LYS A 32 5.228 -1.208 -7.519 1.00 13.12 H new ATOM 0 HA LYS A 32 6.113 -3.737 -6.758 1.00 70.21 H new ATOM 0 HB2 LYS A 32 4.868 -2.439 -9.103 1.00 73.40 H new ATOM 0 HB3 LYS A 32 5.827 -3.846 -9.517 1.00 73.40 H new ATOM 0 HG2 LYS A 32 4.530 -5.258 -8.031 1.00 24.31 H new ATOM 0 HG3 LYS A 32 3.685 -3.875 -7.366 1.00 24.31 H new ATOM 0 HD2 LYS A 32 3.564 -4.614 -10.312 1.00 53.34 H new ATOM 0 HD3 LYS A 32 2.424 -5.231 -9.133 1.00 53.34 H new ATOM 0 HE2 LYS A 32 2.170 -2.647 -8.506 1.00 74.45 H new ATOM 0 HE3 LYS A 32 2.786 -2.411 -10.130 1.00 74.45 H new ATOM 0 HZ1 LYS A 32 0.379 -2.490 -10.108 1.00 11.11 H new ATOM 0 HZ2 LYS A 32 0.995 -3.809 -10.983 1.00 11.11 H new ATOM 0 HZ3 LYS A 32 0.398 -4.037 -9.410 1.00 11.11 H new ATOM 563 N PRO A 33 8.173 -4.410 -8.187 1.00 51.20 N ATOM 564 CA PRO A 33 9.532 -4.698 -8.656 1.00 41.32 C ATOM 565 C PRO A 33 9.709 -4.393 -10.139 1.00 53.13 C ATOM 566 O PRO A 33 8.746 -4.171 -10.872 1.00 14.11 O ATOM 567 CB PRO A 33 9.687 -6.198 -8.395 1.00 12.23 C ATOM 568 CG PRO A 33 8.296 -6.731 -8.414 1.00 25.30 C ATOM 569 CD PRO A 33 7.425 -5.636 -7.863 1.00 44.20 C ATOM 0 HA PRO A 33 10.277 -4.085 -8.149 1.00 41.32 H new ATOM 0 HB2 PRO A 33 10.303 -6.671 -9.160 1.00 12.23 H new ATOM 0 HB3 PRO A 33 10.170 -6.385 -7.436 1.00 12.23 H new ATOM 0 HG2 PRO A 33 7.994 -6.997 -9.427 1.00 25.30 H new ATOM 0 HG3 PRO A 33 8.216 -7.635 -7.810 1.00 25.30 H new ATOM 0 HD2 PRO A 33 6.437 -5.638 -8.324 1.00 44.20 H new ATOM 0 HD3 PRO A 33 7.276 -5.744 -6.789 1.00 44.20 H new ATOM 577 N PRO A 34 10.971 -4.383 -10.595 1.00 11.40 N ATOM 578 CA PRO A 34 11.304 -4.108 -11.996 1.00 51.44 C ATOM 579 C PRO A 34 10.875 -5.236 -12.927 1.00 4.03 C ATOM 580 O PRO A 34 11.220 -6.398 -12.711 1.00 30.14 O ATOM 581 CB PRO A 34 12.830 -3.980 -11.979 1.00 11.54 C ATOM 582 CG PRO A 34 13.264 -4.780 -10.799 1.00 41.33 C ATOM 583 CD PRO A 34 12.169 -4.638 -9.778 1.00 42.33 C ATOM 0 HA PRO A 34 10.792 -3.222 -12.370 1.00 51.44 H new ATOM 0 HB2 PRO A 34 13.270 -4.363 -12.900 1.00 11.54 H new ATOM 0 HB3 PRO A 34 13.139 -2.939 -11.887 1.00 11.54 H new ATOM 0 HG2 PRO A 34 13.412 -5.825 -11.069 1.00 41.33 H new ATOM 0 HG3 PRO A 34 14.213 -4.414 -10.407 1.00 41.33 H new ATOM 0 HD2 PRO A 34 12.061 -5.541 -9.177 1.00 42.33 H new ATOM 0 HD3 PRO A 34 12.367 -3.818 -9.088 1.00 42.33 H new ATOM 591 N LYS A 35 10.119 -4.888 -13.962 1.00 71.13 N ATOM 592 CA LYS A 35 9.643 -5.871 -14.927 1.00 52.41 C ATOM 593 C LYS A 35 10.809 -6.626 -15.556 1.00 33.11 C ATOM 594 O LYS A 35 11.938 -6.135 -15.580 1.00 23.41 O ATOM 595 CB LYS A 35 8.817 -5.186 -16.019 1.00 14.13 C ATOM 596 CG LYS A 35 7.730 -6.071 -16.605 1.00 75.13 C ATOM 597 CD LYS A 35 6.398 -5.856 -15.907 1.00 43.13 C ATOM 598 CE LYS A 35 6.355 -6.563 -14.560 1.00 54.55 C ATOM 599 NZ LYS A 35 6.824 -5.681 -13.456 1.00 44.15 N ATOM 0 H LYS A 35 9.822 -3.931 -14.154 1.00 71.13 H new ATOM 0 HA LYS A 35 9.013 -6.586 -14.398 1.00 52.41 H new ATOM 0 HB2 LYS A 35 8.359 -4.287 -15.606 1.00 14.13 H new ATOM 0 HB3 LYS A 35 9.484 -4.865 -16.820 1.00 14.13 H new ATOM 0 HG2 LYS A 35 7.622 -5.860 -17.669 1.00 75.13 H new ATOM 0 HG3 LYS A 35 8.024 -7.117 -16.516 1.00 75.13 H new ATOM 0 HD2 LYS A 35 6.228 -4.789 -15.765 1.00 43.13 H new ATOM 0 HD3 LYS A 35 5.591 -6.226 -16.539 1.00 43.13 H new ATOM 0 HE2 LYS A 35 5.336 -6.892 -14.355 1.00 54.55 H new ATOM 0 HE3 LYS A 35 6.977 -7.458 -14.599 1.00 54.55 H new ATOM 0 HZ1 LYS A 35 7.538 -6.183 -12.890 1.00 44.15 H new ATOM 0 HZ2 LYS A 35 7.244 -4.818 -13.856 1.00 44.15 H new ATOM 0 HZ3 LYS A 35 6.018 -5.425 -12.850 1.00 44.15 H new ATOM 613 N PHE A 36 10.529 -7.821 -16.067 1.00 41.24 N ATOM 614 CA PHE A 36 11.556 -8.643 -16.697 1.00 2.22 C ATOM 615 C PHE A 36 12.164 -7.926 -17.899 1.00 25.40 C ATOM 616 O PHE A 36 13.379 -7.743 -17.976 1.00 44.12 O ATOM 617 CB PHE A 36 10.966 -9.985 -17.133 1.00 64.43 C ATOM 618 CG PHE A 36 10.317 -10.747 -16.014 1.00 50.30 C ATOM 619 CD1 PHE A 36 11.081 -11.311 -15.006 1.00 62.32 C ATOM 620 CD2 PHE A 36 8.940 -10.899 -15.969 1.00 52.52 C ATOM 621 CE1 PHE A 36 10.486 -12.013 -13.974 1.00 75.42 C ATOM 622 CE2 PHE A 36 8.338 -11.599 -14.940 1.00 71.14 C ATOM 623 CZ PHE A 36 9.113 -12.156 -13.942 1.00 1.25 C ATOM 0 H PHE A 36 9.600 -8.241 -16.057 1.00 41.24 H new ATOM 0 HA PHE A 36 12.345 -8.821 -15.966 1.00 2.22 H new ATOM 0 HB2 PHE A 36 10.230 -9.811 -17.918 1.00 64.43 H new ATOM 0 HB3 PHE A 36 11.757 -10.596 -17.567 1.00 64.43 H new ATOM 0 HD1 PHE A 36 12.155 -11.201 -15.026 1.00 62.32 H new ATOM 0 HD2 PHE A 36 8.330 -10.465 -16.747 1.00 52.52 H new ATOM 0 HE1 PHE A 36 11.094 -12.448 -13.195 1.00 75.42 H new ATOM 0 HE2 PHE A 36 7.264 -11.710 -14.917 1.00 71.14 H new ATOM 0 HZ PHE A 36 8.645 -12.703 -13.137 1.00 1.25 H new ATOM 633 N SER A 37 11.311 -7.525 -18.836 1.00 23.41 N ATOM 634 CA SER A 37 11.764 -6.834 -20.037 1.00 44.40 C ATOM 635 C SER A 37 12.484 -5.537 -19.678 1.00 32.24 C ATOM 636 O SER A 37 13.476 -5.169 -20.308 1.00 24.40 O ATOM 637 CB SER A 37 10.578 -6.534 -20.956 1.00 70.10 C ATOM 638 OG SER A 37 10.273 -7.650 -21.775 1.00 1.04 O ATOM 0 H SER A 37 10.302 -7.667 -18.786 1.00 23.41 H new ATOM 0 HA SER A 37 12.464 -7.486 -20.560 1.00 44.40 H new ATOM 0 HB2 SER A 37 9.707 -6.270 -20.356 1.00 70.10 H new ATOM 0 HB3 SER A 37 10.808 -5.672 -21.582 1.00 70.10 H new ATOM 0 HG SER A 37 9.511 -7.434 -22.352 1.00 1.04 H new ATOM 644 N LEU A 38 11.976 -4.848 -18.661 1.00 12.30 N ATOM 645 CA LEU A 38 12.569 -3.592 -18.217 1.00 41.23 C ATOM 646 C LEU A 38 14.034 -3.785 -17.838 1.00 40.22 C ATOM 647 O LEU A 38 14.840 -2.861 -17.947 1.00 12.12 O ATOM 648 CB LEU A 38 11.792 -3.031 -17.025 1.00 11.22 C ATOM 649 CG LEU A 38 10.566 -2.183 -17.362 1.00 14.31 C ATOM 650 CD1 LEU A 38 9.837 -1.769 -16.093 1.00 70.13 C ATOM 651 CD2 LEU A 38 10.970 -0.958 -18.170 1.00 20.11 C ATOM 0 H LEU A 38 11.155 -5.138 -18.129 1.00 12.30 H new ATOM 0 HA LEU A 38 12.517 -2.883 -19.043 1.00 41.23 H new ATOM 0 HB2 LEU A 38 11.471 -3.865 -16.401 1.00 11.22 H new ATOM 0 HB3 LEU A 38 12.473 -2.427 -16.425 1.00 11.22 H new ATOM 0 HG LEU A 38 9.888 -2.785 -17.966 1.00 14.31 H new ATOM 0 HD11 LEU A 38 8.967 -1.166 -16.353 1.00 70.13 H new ATOM 0 HD12 LEU A 38 9.513 -2.659 -15.553 1.00 70.13 H new ATOM 0 HD13 LEU A 38 10.507 -1.185 -15.462 1.00 70.13 H new ATOM 0 HD21 LEU A 38 10.084 -0.366 -18.401 1.00 20.11 H new ATOM 0 HD22 LEU A 38 11.669 -0.355 -17.591 1.00 20.11 H new ATOM 0 HD23 LEU A 38 11.446 -1.275 -19.098 1.00 20.11 H new ATOM 663 N GLU A 39 14.371 -4.992 -17.396 1.00 11.01 N ATOM 664 CA GLU A 39 15.739 -5.307 -17.003 1.00 63.35 C ATOM 665 C GLU A 39 15.993 -6.810 -17.069 1.00 4.42 C ATOM 666 O GLU A 39 15.425 -7.580 -16.294 1.00 32.51 O ATOM 667 CB GLU A 39 16.019 -4.792 -15.589 1.00 25.44 C ATOM 668 CG GLU A 39 17.342 -5.272 -15.016 1.00 53.45 C ATOM 669 CD GLU A 39 18.525 -4.894 -15.888 1.00 21.12 C ATOM 670 OE1 GLU A 39 18.457 -3.843 -16.558 1.00 3.30 O ATOM 671 OE2 GLU A 39 19.518 -5.651 -15.899 1.00 32.20 O ATOM 0 H GLU A 39 13.716 -5.768 -17.301 1.00 11.01 H new ATOM 0 HA GLU A 39 16.413 -4.812 -17.702 1.00 63.35 H new ATOM 0 HB2 GLU A 39 16.012 -3.702 -15.601 1.00 25.44 H new ATOM 0 HB3 GLU A 39 15.211 -5.109 -14.930 1.00 25.44 H new ATOM 0 HG2 GLU A 39 17.478 -4.848 -14.021 1.00 53.45 H new ATOM 0 HG3 GLU A 39 17.312 -6.355 -14.900 1.00 53.45 H new ATOM 678 N ASP A 40 16.850 -7.220 -17.997 1.00 11.41 N ATOM 679 CA ASP A 40 17.180 -8.630 -18.165 1.00 11.34 C ATOM 680 C ASP A 40 18.565 -8.795 -18.782 1.00 11.24 C ATOM 681 O ASP A 40 19.214 -7.814 -19.143 1.00 41.14 O ATOM 682 CB ASP A 40 16.133 -9.320 -19.041 1.00 12.41 C ATOM 683 CG ASP A 40 15.963 -10.787 -18.694 1.00 15.42 C ATOM 684 OD1 ASP A 40 16.130 -11.139 -17.508 1.00 64.34 O ATOM 685 OD2 ASP A 40 15.661 -11.581 -19.609 1.00 31.15 O ATOM 0 H ASP A 40 17.329 -6.595 -18.645 1.00 11.41 H new ATOM 0 HA ASP A 40 17.183 -9.096 -17.180 1.00 11.34 H new ATOM 0 HB2 ASP A 40 15.176 -8.810 -18.929 1.00 12.41 H new ATOM 0 HB3 ASP A 40 16.422 -9.228 -20.088 1.00 12.41 H new ATOM 690 N ARG A 41 19.011 -10.041 -18.898 1.00 31.30 N ATOM 691 CA ARG A 41 20.320 -10.334 -19.469 1.00 25.12 C ATOM 692 C ARG A 41 20.413 -9.827 -20.905 1.00 33.31 C ATOM 693 O ARG A 41 21.424 -9.253 -21.307 1.00 62.45 O ATOM 694 CB ARG A 41 20.593 -11.839 -19.428 1.00 13.11 C ATOM 695 CG ARG A 41 22.069 -12.188 -19.334 1.00 61.22 C ATOM 696 CD ARG A 41 22.702 -12.308 -20.712 1.00 25.22 C ATOM 697 NE ARG A 41 24.141 -12.063 -20.675 1.00 73.54 N ATOM 698 CZ ARG A 41 25.030 -12.966 -20.278 1.00 73.24 C ATOM 699 NH1 ARG A 41 24.630 -14.168 -19.887 1.00 44.11 N ATOM 700 NH2 ARG A 41 26.324 -12.669 -20.274 1.00 11.13 N ATOM 0 H ARG A 41 18.485 -10.864 -18.604 1.00 31.30 H new ATOM 0 HA ARG A 41 21.073 -9.819 -18.872 1.00 25.12 H new ATOM 0 HB2 ARG A 41 20.071 -12.271 -18.574 1.00 13.11 H new ATOM 0 HB3 ARG A 41 20.176 -12.300 -20.323 1.00 13.11 H new ATOM 0 HG2 ARG A 41 22.589 -11.422 -18.759 1.00 61.22 H new ATOM 0 HG3 ARG A 41 22.188 -13.128 -18.795 1.00 61.22 H new ATOM 0 HD2 ARG A 41 22.514 -13.304 -21.112 1.00 25.22 H new ATOM 0 HD3 ARG A 41 22.230 -11.598 -21.391 1.00 25.22 H new ATOM 0 HE ARG A 41 24.482 -11.148 -20.970 1.00 73.54 H new ATOM 0 HH11 ARG A 41 23.637 -14.401 -19.891 1.00 44.11 H new ATOM 0 HH12 ARG A 41 25.315 -14.860 -19.583 1.00 44.11 H new ATOM 0 HH21 ARG A 41 26.636 -11.746 -20.576 1.00 11.13 H new ATOM 0 HH22 ARG A 41 27.006 -13.364 -19.969 1.00 11.13 H new ATOM 714 N TRP A 42 19.351 -10.045 -21.673 1.00 52.05 N ATOM 715 CA TRP A 42 19.313 -9.612 -23.065 1.00 12.44 C ATOM 716 C TRP A 42 18.482 -8.341 -23.216 1.00 75.51 C ATOM 717 O TRP A 42 18.020 -8.018 -24.310 1.00 3.03 O ATOM 718 CB TRP A 42 18.740 -10.719 -23.950 1.00 20.43 C ATOM 719 CG TRP A 42 19.718 -11.819 -24.233 1.00 71.21 C ATOM 720 CD1 TRP A 42 19.526 -13.157 -24.041 1.00 2.05 C ATOM 721 CD2 TRP A 42 21.043 -11.674 -24.758 1.00 45.31 C ATOM 722 NE1 TRP A 42 20.651 -13.853 -24.414 1.00 52.31 N ATOM 723 CE2 TRP A 42 21.595 -12.966 -24.858 1.00 3.30 C ATOM 724 CE3 TRP A 42 21.815 -10.579 -25.154 1.00 13.20 C ATOM 725 CZ2 TRP A 42 22.883 -13.189 -25.337 1.00 31.33 C ATOM 726 CZ3 TRP A 42 23.094 -10.802 -25.629 1.00 2.43 C ATOM 727 CH2 TRP A 42 23.617 -12.099 -25.718 1.00 40.21 C ATOM 0 H TRP A 42 18.505 -10.519 -21.355 1.00 52.05 H new ATOM 0 HA TRP A 42 20.334 -9.397 -23.381 1.00 12.44 H new ATOM 0 HB2 TRP A 42 17.859 -11.141 -23.467 1.00 20.43 H new ATOM 0 HB3 TRP A 42 18.409 -10.285 -24.894 1.00 20.43 H new ATOM 0 HD1 TRP A 42 18.622 -13.603 -23.653 1.00 2.05 H new ATOM 0 HE1 TRP A 42 20.764 -14.866 -24.368 1.00 52.31 H new ATOM 0 HE3 TRP A 42 21.420 -9.576 -25.090 1.00 13.20 H new ATOM 0 HZ2 TRP A 42 23.289 -14.188 -25.405 1.00 31.33 H new ATOM 0 HZ3 TRP A 42 23.700 -9.963 -25.937 1.00 2.43 H new ATOM 0 HH2 TRP A 42 24.619 -12.241 -26.095 1.00 40.21 H new ATOM 738 N GLY A 43 18.297 -7.625 -22.112 1.00 12.21 N ATOM 739 CA GLY A 43 17.521 -6.398 -22.146 1.00 25.44 C ATOM 740 C GLY A 43 18.001 -5.439 -23.216 1.00 2.53 C ATOM 741 O GLY A 43 17.220 -4.647 -23.745 1.00 43.05 O ATOM 0 H GLY A 43 18.670 -7.872 -21.195 1.00 12.21 H new ATOM 0 HA2 GLY A 43 16.473 -6.639 -22.322 1.00 25.44 H new ATOM 0 HA3 GLY A 43 17.576 -5.910 -21.173 1.00 25.44 H new ATOM 745 N LYS A 44 19.289 -5.507 -23.535 1.00 1.42 N ATOM 746 CA LYS A 44 19.873 -4.637 -24.550 1.00 44.52 C ATOM 747 C LYS A 44 19.686 -5.225 -25.944 1.00 63.43 C ATOM 748 O LYS A 44 19.623 -4.495 -26.933 1.00 41.23 O ATOM 749 CB LYS A 44 21.361 -4.422 -24.270 1.00 52.35 C ATOM 750 CG LYS A 44 22.161 -5.712 -24.203 1.00 11.45 C ATOM 751 CD LYS A 44 23.655 -5.441 -24.172 1.00 73.54 C ATOM 752 CE LYS A 44 24.157 -5.241 -22.751 1.00 60.11 C ATOM 753 NZ LYS A 44 24.510 -6.533 -22.101 1.00 24.55 N ATOM 0 H LYS A 44 19.949 -6.156 -23.105 1.00 1.42 H new ATOM 0 HA LYS A 44 19.359 -3.676 -24.509 1.00 44.52 H new ATOM 0 HB2 LYS A 44 21.780 -3.785 -25.049 1.00 52.35 H new ATOM 0 HB3 LYS A 44 21.471 -3.887 -23.327 1.00 52.35 H new ATOM 0 HG2 LYS A 44 21.874 -6.273 -23.314 1.00 11.45 H new ATOM 0 HG3 LYS A 44 21.921 -6.335 -25.065 1.00 11.45 H new ATOM 0 HD2 LYS A 44 24.186 -6.274 -24.633 1.00 73.54 H new ATOM 0 HD3 LYS A 44 23.877 -4.554 -24.765 1.00 73.54 H new ATOM 0 HE2 LYS A 44 25.031 -4.590 -22.763 1.00 60.11 H new ATOM 0 HE3 LYS A 44 23.391 -4.736 -22.163 1.00 60.11 H new ATOM 0 HZ1 LYS A 44 24.848 -6.354 -21.134 1.00 24.55 H new ATOM 0 HZ2 LYS A 44 23.670 -7.145 -22.067 1.00 24.55 H new ATOM 0 HZ3 LYS A 44 25.259 -7.003 -22.648 1.00 24.55 H new ATOM 767 N TYR A 45 19.597 -6.548 -26.016 1.00 30.34 N ATOM 768 CA TYR A 45 19.418 -7.234 -27.290 1.00 63.12 C ATOM 769 C TYR A 45 18.216 -6.676 -28.045 1.00 72.41 C ATOM 770 O TYR A 45 18.174 -6.705 -29.276 1.00 25.11 O ATOM 771 CB TYR A 45 19.240 -8.736 -27.063 1.00 33.53 C ATOM 772 CG TYR A 45 19.164 -9.537 -28.344 1.00 70.33 C ATOM 773 CD1 TYR A 45 17.989 -9.593 -29.083 1.00 43.43 C ATOM 774 CD2 TYR A 45 20.268 -10.238 -28.814 1.00 32.32 C ATOM 775 CE1 TYR A 45 17.915 -10.323 -30.253 1.00 24.23 C ATOM 776 CE2 TYR A 45 20.203 -10.971 -29.985 1.00 5.24 C ATOM 777 CZ TYR A 45 19.024 -11.010 -30.699 1.00 10.24 C ATOM 778 OH TYR A 45 18.955 -11.739 -31.865 1.00 24.05 O ATOM 0 H TYR A 45 19.646 -7.167 -25.207 1.00 30.34 H new ATOM 0 HA TYR A 45 20.311 -7.068 -27.892 1.00 63.12 H new ATOM 0 HB2 TYR A 45 20.071 -9.105 -26.462 1.00 33.53 H new ATOM 0 HB3 TYR A 45 18.331 -8.903 -26.486 1.00 33.53 H new ATOM 0 HD1 TYR A 45 17.118 -9.056 -28.737 1.00 43.43 H new ATOM 0 HD2 TYR A 45 21.192 -10.210 -28.256 1.00 32.32 H new ATOM 0 HE1 TYR A 45 16.994 -10.356 -30.815 1.00 24.23 H new ATOM 0 HE2 TYR A 45 21.070 -11.509 -30.338 1.00 5.24 H new ATOM 0 HH TYR A 45 19.822 -12.161 -32.039 1.00 24.05 H new ATOM 788 N ARG A 46 17.241 -6.168 -27.300 1.00 65.53 N ATOM 789 CA ARG A 46 16.037 -5.603 -27.897 1.00 73.34 C ATOM 790 C ARG A 46 16.393 -4.564 -28.956 1.00 13.13 C ATOM 791 O ARG A 46 15.681 -4.407 -29.948 1.00 13.21 O ATOM 792 CB ARG A 46 15.157 -4.968 -26.819 1.00 13.31 C ATOM 793 CG ARG A 46 15.704 -3.656 -26.281 1.00 10.02 C ATOM 794 CD ARG A 46 14.779 -3.053 -25.235 1.00 33.23 C ATOM 795 NE ARG A 46 15.462 -2.066 -24.405 1.00 43.00 N ATOM 796 CZ ARG A 46 14.828 -1.140 -23.692 1.00 71.41 C ATOM 797 NH1 ARG A 46 13.505 -1.077 -23.709 1.00 15.34 N ATOM 798 NH2 ARG A 46 15.520 -0.276 -22.961 1.00 44.21 N ATOM 0 H ARG A 46 17.261 -6.136 -26.281 1.00 65.53 H new ATOM 0 HA ARG A 46 15.485 -6.411 -28.376 1.00 73.34 H new ATOM 0 HB2 ARG A 46 14.162 -4.796 -27.229 1.00 13.31 H new ATOM 0 HB3 ARG A 46 15.044 -5.671 -25.993 1.00 13.31 H new ATOM 0 HG2 ARG A 46 16.689 -3.823 -25.844 1.00 10.02 H new ATOM 0 HG3 ARG A 46 15.835 -2.951 -27.102 1.00 10.02 H new ATOM 0 HD2 ARG A 46 13.929 -2.584 -25.730 1.00 33.23 H new ATOM 0 HD3 ARG A 46 14.382 -3.846 -24.602 1.00 33.23 H new ATOM 0 HE ARG A 46 16.481 -2.088 -24.370 1.00 43.00 H new ATOM 0 HH11 ARG A 46 12.970 -1.740 -24.270 1.00 15.34 H new ATOM 0 HH12 ARG A 46 13.021 -0.366 -23.161 1.00 15.34 H new ATOM 0 HH21 ARG A 46 16.539 -0.322 -22.946 1.00 44.21 H new ATOM 0 HH22 ARG A 46 15.033 0.434 -22.414 1.00 44.21 H new ATOM 812 N ARG A 47 17.497 -3.858 -28.738 1.00 12.52 N ATOM 813 CA ARG A 47 17.945 -2.833 -29.674 1.00 61.53 C ATOM 814 C ARG A 47 18.098 -3.408 -31.079 1.00 31.11 C ATOM 815 O ARG A 47 17.862 -2.720 -32.071 1.00 43.23 O ATOM 816 CB ARG A 47 19.274 -2.235 -29.209 1.00 62.24 C ATOM 817 CG ARG A 47 19.114 -1.016 -28.315 1.00 0.31 C ATOM 818 CD ARG A 47 20.322 -0.097 -28.405 1.00 51.02 C ATOM 819 NE ARG A 47 21.510 -0.694 -27.801 1.00 11.00 N ATOM 820 CZ ARG A 47 21.683 -0.820 -26.490 1.00 61.34 C ATOM 821 NH1 ARG A 47 20.749 -0.394 -25.650 1.00 75.45 N ATOM 822 NH2 ARG A 47 22.792 -1.375 -26.016 1.00 1.11 N ATOM 0 H ARG A 47 18.098 -3.976 -27.922 1.00 12.52 H new ATOM 0 HA ARG A 47 17.190 -2.047 -29.702 1.00 61.53 H new ATOM 0 HB2 ARG A 47 19.838 -2.998 -28.672 1.00 62.24 H new ATOM 0 HB3 ARG A 47 19.864 -1.959 -30.083 1.00 62.24 H new ATOM 0 HG2 ARG A 47 18.216 -0.468 -28.602 1.00 0.31 H new ATOM 0 HG3 ARG A 47 18.975 -1.336 -27.282 1.00 0.31 H new ATOM 0 HD2 ARG A 47 20.524 0.134 -29.451 1.00 51.02 H new ATOM 0 HD3 ARG A 47 20.098 0.847 -27.907 1.00 51.02 H new ATOM 0 HE ARG A 47 22.247 -1.033 -28.419 1.00 11.00 H new ATOM 0 HH11 ARG A 47 19.895 0.032 -26.010 1.00 75.45 H new ATOM 0 HH12 ARG A 47 20.885 -0.492 -24.644 1.00 75.45 H new ATOM 0 HH21 ARG A 47 23.512 -1.705 -26.659 1.00 1.11 H new ATOM 0 HH22 ARG A 47 22.924 -1.471 -25.009 1.00 1.11 H new ATOM 836 N MET A 48 18.495 -4.674 -31.154 1.00 31.45 N ATOM 837 CA MET A 48 18.678 -5.342 -32.438 1.00 3.24 C ATOM 838 C MET A 48 17.333 -5.727 -33.047 1.00 52.41 C ATOM 839 O MET A 48 17.179 -5.750 -34.269 1.00 31.12 O ATOM 840 CB MET A 48 19.550 -6.588 -32.269 1.00 10.41 C ATOM 841 CG MET A 48 20.323 -6.963 -33.522 1.00 51.51 C ATOM 842 SD MET A 48 21.978 -6.246 -33.558 1.00 5.50 S ATOM 843 CE MET A 48 21.629 -4.621 -34.225 1.00 43.51 C ATOM 0 H MET A 48 18.696 -5.258 -30.342 1.00 31.45 H new ATOM 0 HA MET A 48 19.177 -4.647 -33.113 1.00 3.24 H new ATOM 0 HB2 MET A 48 20.254 -6.421 -31.454 1.00 10.41 H new ATOM 0 HB3 MET A 48 18.918 -7.427 -31.977 1.00 10.41 H new ATOM 0 HG2 MET A 48 20.400 -8.048 -33.585 1.00 51.51 H new ATOM 0 HG3 MET A 48 19.768 -6.631 -34.400 1.00 51.51 H new ATOM 0 HE1 MET A 48 22.497 -4.260 -34.776 1.00 43.51 H new ATOM 0 HE2 MET A 48 20.772 -4.680 -34.896 1.00 43.51 H new ATOM 0 HE3 MET A 48 21.405 -3.933 -33.409 1.00 43.51 H new ATOM 853 N LEU A 49 16.364 -6.027 -32.190 1.00 72.25 N ATOM 854 CA LEU A 49 15.033 -6.411 -32.644 1.00 34.42 C ATOM 855 C LEU A 49 14.357 -5.261 -33.385 1.00 73.23 C ATOM 856 O LEU A 49 14.252 -5.275 -34.612 1.00 33.54 O ATOM 857 CB LEU A 49 14.171 -6.843 -31.456 1.00 52.54 C ATOM 858 CG LEU A 49 14.029 -8.351 -31.244 1.00 42.41 C ATOM 859 CD1 LEU A 49 14.889 -8.808 -30.076 1.00 34.12 C ATOM 860 CD2 LEU A 49 12.571 -8.720 -31.012 1.00 64.21 C ATOM 0 H LEU A 49 16.475 -6.012 -31.176 1.00 72.25 H new ATOM 0 HA LEU A 49 15.140 -7.250 -33.332 1.00 34.42 H new ATOM 0 HB2 LEU A 49 14.591 -6.407 -30.550 1.00 52.54 H new ATOM 0 HB3 LEU A 49 13.175 -6.418 -31.582 1.00 52.54 H new ATOM 0 HG LEU A 49 14.374 -8.861 -32.144 1.00 42.41 H new ATOM 0 HD11 LEU A 49 14.776 -9.883 -29.940 1.00 34.12 H new ATOM 0 HD12 LEU A 49 15.934 -8.576 -30.281 1.00 34.12 H new ATOM 0 HD13 LEU A 49 14.574 -8.292 -29.169 1.00 34.12 H new ATOM 0 HD21 LEU A 49 12.487 -9.797 -30.863 1.00 64.21 H new ATOM 0 HD22 LEU A 49 12.201 -8.201 -30.128 1.00 64.21 H new ATOM 0 HD23 LEU A 49 11.979 -8.427 -31.879 1.00 64.21 H new ATOM 872 N LYS A 50 13.902 -4.265 -32.632 1.00 75.44 N ATOM 873 CA LYS A 50 13.241 -3.105 -33.216 1.00 54.53 C ATOM 874 C LYS A 50 14.224 -2.270 -34.032 1.00 35.54 C ATOM 875 O LYS A 50 15.062 -1.562 -33.476 1.00 3.21 O ATOM 876 CB LYS A 50 12.614 -2.243 -32.118 1.00 60.00 C ATOM 877 CG LYS A 50 11.751 -3.030 -31.146 1.00 40.12 C ATOM 878 CD LYS A 50 11.400 -2.205 -29.920 1.00 4.52 C ATOM 879 CE LYS A 50 10.206 -1.300 -30.180 1.00 22.04 C ATOM 880 NZ LYS A 50 9.506 -0.928 -28.918 1.00 30.54 N ATOM 0 H LYS A 50 13.979 -4.238 -31.615 1.00 75.44 H new ATOM 0 HA LYS A 50 12.456 -3.464 -33.882 1.00 54.53 H new ATOM 0 HB2 LYS A 50 13.407 -1.742 -31.563 1.00 60.00 H new ATOM 0 HB3 LYS A 50 12.008 -1.464 -32.581 1.00 60.00 H new ATOM 0 HG2 LYS A 50 10.836 -3.349 -31.646 1.00 40.12 H new ATOM 0 HG3 LYS A 50 12.278 -3.934 -30.839 1.00 40.12 H new ATOM 0 HD2 LYS A 50 11.179 -2.869 -29.084 1.00 4.52 H new ATOM 0 HD3 LYS A 50 12.259 -1.601 -29.629 1.00 4.52 H new ATOM 0 HE2 LYS A 50 10.540 -0.396 -30.690 1.00 22.04 H new ATOM 0 HE3 LYS A 50 9.507 -1.804 -30.848 1.00 22.04 H new ATOM 0 HZ1 LYS A 50 8.698 -0.311 -29.138 1.00 30.54 H new ATOM 0 HZ2 LYS A 50 9.165 -1.788 -28.443 1.00 30.54 H new ATOM 0 HZ3 LYS A 50 10.165 -0.425 -28.291 1.00 30.54 H new ATOM 894 N ARG A 51 14.114 -2.359 -35.354 1.00 61.31 N ATOM 895 CA ARG A 51 14.993 -1.613 -36.245 1.00 51.11 C ATOM 896 C ARG A 51 14.363 -0.280 -36.640 1.00 20.11 C ATOM 897 O ARG A 51 15.063 0.674 -36.975 1.00 65.23 O ATOM 898 CB ARG A 51 15.300 -2.435 -37.499 1.00 44.24 C ATOM 899 CG ARG A 51 16.593 -2.031 -38.189 1.00 74.41 C ATOM 900 CD ARG A 51 16.769 -2.762 -39.511 1.00 62.54 C ATOM 901 NE ARG A 51 18.178 -2.913 -39.868 1.00 31.43 N ATOM 902 CZ ARG A 51 18.600 -3.158 -41.103 1.00 54.13 C ATOM 903 NH1 ARG A 51 17.728 -3.277 -42.095 1.00 54.41 N ATOM 904 NH2 ARG A 51 19.898 -3.283 -41.349 1.00 14.11 N ATOM 0 H ARG A 51 13.425 -2.940 -35.831 1.00 61.31 H new ATOM 0 HA ARG A 51 15.923 -1.413 -35.713 1.00 51.11 H new ATOM 0 HB2 ARG A 51 15.357 -3.489 -37.228 1.00 44.24 H new ATOM 0 HB3 ARG A 51 14.474 -2.331 -38.203 1.00 44.24 H new ATOM 0 HG2 ARG A 51 16.593 -0.955 -38.364 1.00 74.41 H new ATOM 0 HG3 ARG A 51 17.439 -2.248 -37.536 1.00 74.41 H new ATOM 0 HD2 ARG A 51 16.304 -3.746 -39.446 1.00 62.54 H new ATOM 0 HD3 ARG A 51 16.251 -2.216 -40.299 1.00 62.54 H new ATOM 0 HE ARG A 51 18.875 -2.825 -39.129 1.00 31.43 H new ATOM 0 HH11 ARG A 51 16.729 -3.180 -41.911 1.00 54.41 H new ATOM 0 HH12 ARG A 51 18.056 -3.465 -43.042 1.00 54.41 H new ATOM 0 HH21 ARG A 51 20.572 -3.191 -40.589 1.00 14.11 H new ATOM 0 HH22 ARG A 51 20.221 -3.471 -42.298 1.00 14.11 H new ATOM 918 N ALA A 52 13.035 -0.224 -36.598 1.00 51.35 N ATOM 919 CA ALA A 52 12.312 0.991 -36.949 1.00 4.22 C ATOM 920 C ALA A 52 12.582 2.103 -35.941 1.00 40.33 C ATOM 921 O ALA A 52 12.544 3.286 -36.280 1.00 52.13 O ATOM 922 CB ALA A 52 10.818 0.709 -37.037 1.00 63.43 C ATOM 0 H ALA A 52 12.440 -1.006 -36.325 1.00 51.35 H new ATOM 0 HA ALA A 52 12.667 1.326 -37.924 1.00 4.22 H new ATOM 0 HB1 ALA A 52 10.290 1.625 -37.300 1.00 63.43 H new ATOM 0 HB2 ALA A 52 10.635 -0.047 -37.800 1.00 63.43 H new ATOM 0 HB3 ALA A 52 10.459 0.347 -36.074 1.00 63.43 H new ATOM 928 N LEU A 53 12.857 1.716 -34.700 1.00 23.13 N ATOM 929 CA LEU A 53 13.134 2.680 -33.641 1.00 15.52 C ATOM 930 C LEU A 53 14.472 2.384 -32.971 1.00 11.55 C ATOM 931 O LEU A 53 14.714 1.269 -32.509 1.00 4.13 O ATOM 932 CB LEU A 53 12.014 2.660 -32.600 1.00 5.31 C ATOM 933 CG LEU A 53 11.579 4.022 -32.055 1.00 2.11 C ATOM 934 CD1 LEU A 53 11.007 4.884 -33.169 1.00 42.51 C ATOM 935 CD2 LEU A 53 10.562 3.849 -30.936 1.00 33.14 C ATOM 0 H LEU A 53 12.894 0.741 -34.403 1.00 23.13 H new ATOM 0 HA LEU A 53 13.186 3.671 -34.091 1.00 15.52 H new ATOM 0 HB2 LEU A 53 11.144 2.173 -33.041 1.00 5.31 H new ATOM 0 HB3 LEU A 53 12.335 2.041 -31.762 1.00 5.31 H new ATOM 0 HG LEU A 53 12.455 4.526 -31.647 1.00 2.11 H new ATOM 0 HD11 LEU A 53 10.703 5.849 -32.763 1.00 42.51 H new ATOM 0 HD12 LEU A 53 11.765 5.036 -33.937 1.00 42.51 H new ATOM 0 HD13 LEU A 53 10.142 4.386 -33.607 1.00 42.51 H new ATOM 0 HD21 LEU A 53 10.264 4.828 -30.561 1.00 33.14 H new ATOM 0 HD22 LEU A 53 9.686 3.325 -31.318 1.00 33.14 H new ATOM 0 HD23 LEU A 53 11.007 3.270 -30.127 1.00 33.14 H new ATOM 947 N LYS A 54 15.338 3.391 -32.921 1.00 24.54 N ATOM 948 CA LYS A 54 16.651 3.241 -32.304 1.00 21.31 C ATOM 949 C LYS A 54 16.938 4.393 -31.347 1.00 12.11 C ATOM 950 O LYS A 54 16.703 5.555 -31.673 1.00 41.12 O ATOM 951 CB LYS A 54 17.737 3.174 -33.380 1.00 60.12 C ATOM 952 CG LYS A 54 17.807 1.835 -34.093 1.00 23.04 C ATOM 953 CD LYS A 54 19.226 1.505 -34.523 1.00 73.15 C ATOM 954 CE LYS A 54 19.246 0.449 -35.618 1.00 1.41 C ATOM 955 NZ LYS A 54 20.586 0.340 -36.259 1.00 14.52 N ATOM 0 H LYS A 54 15.154 4.320 -33.300 1.00 24.54 H new ATOM 0 HA LYS A 54 16.654 2.311 -31.735 1.00 21.31 H new ATOM 0 HB2 LYS A 54 17.557 3.958 -34.115 1.00 60.12 H new ATOM 0 HB3 LYS A 54 18.704 3.383 -32.922 1.00 60.12 H new ATOM 0 HG2 LYS A 54 17.434 1.051 -33.434 1.00 23.04 H new ATOM 0 HG3 LYS A 54 17.156 1.853 -34.967 1.00 23.04 H new ATOM 0 HD2 LYS A 54 19.719 2.410 -34.879 1.00 73.15 H new ATOM 0 HD3 LYS A 54 19.794 1.150 -33.663 1.00 73.15 H new ATOM 0 HE2 LYS A 54 18.965 -0.516 -35.197 1.00 1.41 H new ATOM 0 HE3 LYS A 54 18.501 0.696 -36.374 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 20.558 -0.390 -36.999 1.00 14.52 H new ATOM 0 HZ2 LYS A 54 20.843 1.254 -36.683 1.00 14.52 H new ATOM 0 HZ3 LYS A 54 21.293 0.080 -35.543 1.00 14.52 H new ATOM 969 N ASN A 55 17.447 4.061 -30.166 1.00 44.44 N ATOM 970 CA ASN A 55 17.767 5.070 -29.162 1.00 5.50 C ATOM 971 C ASN A 55 18.991 5.881 -29.575 1.00 71.55 C ATOM 972 O ASN A 55 19.819 5.420 -30.361 1.00 31.04 O ATOM 973 CB ASN A 55 18.016 4.408 -27.804 1.00 11.44 C ATOM 974 CG ASN A 55 16.906 3.448 -27.418 1.00 2.00 C ATOM 975 OD1 ASN A 55 15.920 3.840 -26.794 1.00 31.20 O ATOM 976 ND2 ASN A 55 17.064 2.183 -27.789 1.00 22.22 N ATOM 0 H ASN A 55 17.647 3.103 -29.880 1.00 44.44 H new ATOM 0 HA ASN A 55 16.916 5.746 -29.080 1.00 5.50 H new ATOM 0 HB2 ASN A 55 18.964 3.871 -27.833 1.00 11.44 H new ATOM 0 HB3 ASN A 55 18.109 5.178 -27.039 1.00 11.44 H new ATOM 0 HD21 ASN A 55 16.351 1.491 -27.558 1.00 22.22 H new ATOM 0 HD22 ASN A 55 17.898 1.903 -28.305 1.00 22.22 H new ATOM 983 N LYS A 56 19.100 7.093 -29.041 1.00 21.21 N ATOM 984 CA LYS A 56 20.223 7.969 -29.351 1.00 34.11 C ATOM 985 C LYS A 56 21.336 7.815 -28.319 1.00 34.55 C ATOM 986 O LYS A 56 21.072 7.632 -27.132 1.00 21.22 O ATOM 987 CB LYS A 56 19.760 9.426 -29.403 1.00 13.10 C ATOM 988 CG LYS A 56 20.369 10.217 -30.548 1.00 52.13 C ATOM 989 CD LYS A 56 19.858 9.732 -31.895 1.00 44.22 C ATOM 990 CE LYS A 56 18.471 10.279 -32.196 1.00 22.32 C ATOM 991 NZ LYS A 56 18.072 10.035 -33.609 1.00 73.44 N ATOM 0 H LYS A 56 18.423 7.491 -28.390 1.00 21.21 H new ATOM 0 HA LYS A 56 20.615 7.683 -30.327 1.00 34.11 H new ATOM 0 HB2 LYS A 56 18.674 9.450 -29.493 1.00 13.10 H new ATOM 0 HB3 LYS A 56 20.013 9.913 -28.461 1.00 13.10 H new ATOM 0 HG2 LYS A 56 20.133 11.274 -30.427 1.00 52.13 H new ATOM 0 HG3 LYS A 56 21.455 10.128 -30.516 1.00 52.13 H new ATOM 0 HD2 LYS A 56 20.549 10.039 -32.680 1.00 44.22 H new ATOM 0 HD3 LYS A 56 19.830 8.642 -31.904 1.00 44.22 H new ATOM 0 HE2 LYS A 56 17.745 9.815 -31.529 1.00 22.32 H new ATOM 0 HE3 LYS A 56 18.451 11.350 -31.993 1.00 22.32 H new ATOM 0 HZ1 LYS A 56 17.121 10.423 -33.773 1.00 73.44 H new ATOM 0 HZ2 LYS A 56 18.750 10.499 -34.246 1.00 73.44 H new ATOM 0 HZ3 LYS A 56 18.066 9.012 -33.796 1.00 73.44 H new ATOM 1005 N ASN A 57 22.580 7.890 -28.781 1.00 12.11 N ATOM 1006 CA ASN A 57 23.733 7.760 -27.898 1.00 23.35 C ATOM 1007 C ASN A 57 24.046 9.086 -27.213 1.00 32.32 C ATOM 1008 O ASN A 57 23.629 10.149 -27.673 1.00 74.11 O ATOM 1009 CB ASN A 57 24.952 7.277 -28.685 1.00 63.13 C ATOM 1010 CG ASN A 57 24.826 5.830 -29.119 1.00 21.52 C ATOM 1011 OD1 ASN A 57 24.003 5.494 -29.971 1.00 44.34 O ATOM 1012 ND2 ASN A 57 25.644 4.963 -28.532 1.00 40.34 N ATOM 0 H ASN A 57 22.815 8.040 -29.762 1.00 12.11 H new ATOM 0 HA ASN A 57 23.491 7.025 -27.131 1.00 23.35 H new ATOM 0 HB2 ASN A 57 25.085 7.907 -29.565 1.00 63.13 H new ATOM 0 HB3 ASN A 57 25.846 7.393 -28.072 1.00 63.13 H new ATOM 0 HD21 ASN A 57 25.605 3.975 -28.783 1.00 40.34 H new ATOM 0 HD22 ASN A 57 26.311 5.285 -27.831 1.00 40.34 H new ATOM 1019 N LYS A 58 24.784 9.016 -26.111 1.00 42.24 N ATOM 1020 CA LYS A 58 25.157 10.211 -25.363 1.00 44.23 C ATOM 1021 C LYS A 58 26.055 11.118 -26.197 1.00 1.55 C ATOM 1022 O LYS A 58 25.938 12.342 -26.144 1.00 11.43 O ATOM 1023 CB LYS A 58 25.871 9.823 -24.065 1.00 53.40 C ATOM 1024 CG LYS A 58 26.214 11.010 -23.181 1.00 55.02 C ATOM 1025 CD LYS A 58 25.000 11.500 -22.409 1.00 12.23 C ATOM 1026 CE LYS A 58 24.551 10.482 -21.373 1.00 30.44 C ATOM 1027 NZ LYS A 58 23.686 11.097 -20.329 1.00 60.34 N ATOM 0 H LYS A 58 25.136 8.144 -25.716 1.00 42.24 H new ATOM 0 HA LYS A 58 24.245 10.756 -25.121 1.00 44.23 H new ATOM 0 HB2 LYS A 58 25.239 9.134 -23.505 1.00 53.40 H new ATOM 0 HB3 LYS A 58 26.788 9.287 -24.311 1.00 53.40 H new ATOM 0 HG2 LYS A 58 27.002 10.729 -22.482 1.00 55.02 H new ATOM 0 HG3 LYS A 58 26.607 11.820 -23.795 1.00 55.02 H new ATOM 0 HD2 LYS A 58 25.237 12.443 -21.916 1.00 12.23 H new ATOM 0 HD3 LYS A 58 24.183 11.700 -23.102 1.00 12.23 H new ATOM 0 HE2 LYS A 58 24.007 9.677 -21.867 1.00 30.44 H new ATOM 0 HE3 LYS A 58 25.426 10.034 -20.902 1.00 30.44 H new ATOM 0 HZ1 LYS A 58 23.401 10.370 -19.642 1.00 60.34 H new ATOM 0 HZ2 LYS A 58 24.213 11.848 -19.840 1.00 60.34 H new ATOM 0 HZ3 LYS A 58 22.839 11.503 -20.775 1.00 60.34 H new ATOM 1041 N ALA A 59 26.949 10.510 -26.968 1.00 72.45 N ATOM 1042 CA ALA A 59 27.864 11.263 -27.817 1.00 70.14 C ATOM 1043 C ALA A 59 27.109 12.008 -28.912 1.00 51.43 C ATOM 1044 O ALA A 59 26.216 11.453 -29.551 1.00 54.23 O ATOM 1045 CB ALA A 59 28.903 10.335 -28.428 1.00 33.10 C ATOM 0 H ALA A 59 27.060 9.497 -27.023 1.00 72.45 H new ATOM 0 HA ALA A 59 28.372 12.000 -27.196 1.00 70.14 H new ATOM 0 HB1 ALA A 59 29.579 10.911 -29.059 1.00 33.10 H new ATOM 0 HB2 ALA A 59 29.472 9.852 -27.633 1.00 33.10 H new ATOM 0 HB3 ALA A 59 28.404 9.576 -29.030 1.00 33.10 H new ATOM 1051 N GLU A 60 27.474 13.270 -29.123 1.00 33.12 N ATOM 1052 CA GLU A 60 26.828 14.091 -30.141 1.00 44.21 C ATOM 1053 C GLU A 60 26.943 13.442 -31.517 1.00 11.14 C ATOM 1054 O GLU A 60 27.860 12.661 -31.771 1.00 45.00 O ATOM 1055 CB GLU A 60 27.451 15.489 -30.170 1.00 62.32 C ATOM 1056 CG GLU A 60 28.823 15.529 -30.822 1.00 41.41 C ATOM 1057 CD GLU A 60 29.855 14.719 -30.060 1.00 14.24 C ATOM 1058 OE1 GLU A 60 29.840 14.762 -28.813 1.00 40.40 O ATOM 1059 OE2 GLU A 60 30.676 14.043 -30.712 1.00 75.51 O ATOM 0 H GLU A 60 28.212 13.745 -28.603 1.00 33.12 H new ATOM 0 HA GLU A 60 25.772 14.177 -29.886 1.00 44.21 H new ATOM 0 HB2 GLU A 60 26.784 16.164 -30.705 1.00 62.32 H new ATOM 0 HB3 GLU A 60 27.532 15.863 -29.149 1.00 62.32 H new ATOM 0 HG2 GLU A 60 28.748 15.149 -31.841 1.00 41.41 H new ATOM 0 HG3 GLU A 60 29.158 16.564 -30.892 1.00 41.41 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.074 12.881 -4.661 1.00 41.23 ZN