USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.69) USER MOD Single : A 2 SER OG : rot 31:sc= 0.182 USER MOD Single : A 4 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.702 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.101 USER MOD Single : A 13 MET CE :methyl 159:sc= -0.729 (180deg=-1.61) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0063) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 33 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.2) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.755 K(o=-0.76,f=-0.08) USER MOD Single : A 55 GLN : amide:sc= -0.115 K(o=-0.12,f=-1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.877 K(o=0.88,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 3.789 1.765 16.772 1.00 5.37 N ATOM 2 CA SER A 2 2.713 1.781 17.761 1.00 3.84 C ATOM 3 C SER A 2 1.642 0.756 17.365 1.00 2.45 C ATOM 4 O SER A 2 1.478 -0.252 18.047 1.00 2.54 O ATOM 5 CB SER A 2 2.149 3.194 17.982 1.00 5.19 C ATOM 6 OG SER A 2 3.208 4.098 18.229 1.00 6.52 O ATOM 0 HA SER A 2 3.116 1.487 18.730 1.00 3.84 H new ATOM 0 HB2 SER A 2 1.584 3.512 17.105 1.00 5.19 H new ATOM 0 HB3 SER A 2 1.456 3.192 18.824 1.00 5.19 H new ATOM 0 HG SER A 2 4.010 3.800 17.752 1.00 6.52 H new ATOM 12 N GLY A 3 0.957 0.999 16.247 1.00 2.24 N ATOM 13 CA GLY A 3 0.060 0.051 15.617 1.00 1.25 C ATOM 14 C GLY A 3 0.827 -0.981 14.790 1.00 1.54 C ATOM 15 O GLY A 3 2.060 -1.086 14.853 1.00 2.64 O ATOM 0 H GLY A 3 1.018 1.886 15.748 1.00 2.24 H new ATOM 0 HA2 GLY A 3 -0.528 -0.458 16.381 1.00 1.25 H new ATOM 0 HA3 GLY A 3 -0.642 0.584 14.976 1.00 1.25 H new ATOM 19 N THR A 4 0.071 -1.732 13.990 1.00 0.75 N ATOM 20 CA THR A 4 0.482 -2.940 13.316 1.00 0.60 C ATOM 21 C THR A 4 0.896 -2.514 11.925 1.00 0.56 C ATOM 22 O THR A 4 0.060 -2.087 11.126 1.00 0.84 O ATOM 23 CB THR A 4 -0.691 -3.942 13.226 1.00 0.70 C ATOM 24 OG1 THR A 4 -1.800 -3.518 13.992 1.00 1.46 O ATOM 25 CG2 THR A 4 -0.259 -5.335 13.685 1.00 1.31 C ATOM 0 H THR A 4 -0.900 -1.490 13.790 1.00 0.75 H new ATOM 0 HA THR A 4 1.292 -3.434 13.853 1.00 0.60 H new ATOM 0 HB THR A 4 -0.990 -3.986 12.179 1.00 0.70 H new ATOM 0 HG1 THR A 4 -2.311 -2.852 13.486 1.00 1.46 H new ATOM 0 HG21 THR A 4 -1.103 -6.020 13.612 1.00 1.31 H new ATOM 0 HG22 THR A 4 0.554 -5.691 13.052 1.00 1.31 H new ATOM 0 HG23 THR A 4 0.081 -5.288 14.719 1.00 1.31 H new ATOM 33 N ARG A 5 2.186 -2.658 11.635 1.00 0.52 N ATOM 34 CA ARG A 5 2.704 -2.286 10.348 1.00 0.52 C ATOM 35 C ARG A 5 2.680 -3.533 9.489 1.00 0.38 C ATOM 36 O ARG A 5 2.962 -4.636 9.959 1.00 0.54 O ATOM 37 CB ARG A 5 4.086 -1.656 10.497 1.00 0.79 C ATOM 38 CG ARG A 5 5.252 -2.645 10.536 1.00 1.15 C ATOM 39 CD ARG A 5 5.668 -3.179 9.143 1.00 0.64 C ATOM 40 NE ARG A 5 7.060 -3.664 9.128 1.00 0.93 N ATOM 41 CZ ARG A 5 8.157 -2.902 8.992 1.00 1.12 C ATOM 42 NH1 ARG A 5 8.031 -1.574 8.888 1.00 2.62 N ATOM 43 NH2 ARG A 5 9.370 -3.468 8.963 1.00 1.31 N ATOM 0 H ARG A 5 2.881 -3.031 12.282 1.00 0.52 H new ATOM 0 HA ARG A 5 2.100 -1.521 9.861 1.00 0.52 H new ATOM 0 HB2 ARG A 5 4.244 -0.965 9.669 1.00 0.79 H new ATOM 0 HB3 ARG A 5 4.101 -1.065 11.413 1.00 0.79 H new ATOM 0 HG2 ARG A 5 6.111 -2.161 11.000 1.00 1.15 H new ATOM 0 HG3 ARG A 5 4.980 -3.488 11.171 1.00 1.15 H new ATOM 0 HD2 ARG A 5 4.999 -3.989 8.851 1.00 0.64 H new ATOM 0 HD3 ARG A 5 5.552 -2.388 8.402 1.00 0.64 H new ATOM 0 HE ARG A 5 7.203 -4.669 9.230 1.00 0.93 H new ATOM 0 HH11 ARG A 5 7.105 -1.146 8.912 1.00 2.62 H new ATOM 0 HH12 ARG A 5 8.861 -0.990 8.784 1.00 2.62 H new ATOM 0 HH21 ARG A 5 9.462 -4.481 9.044 1.00 1.31 H new ATOM 0 HH22 ARG A 5 10.202 -2.887 8.860 1.00 1.31 H new ATOM 57 N TYR A 6 2.329 -3.346 8.229 1.00 0.39 N ATOM 58 CA TYR A 6 2.174 -4.397 7.256 1.00 0.25 C ATOM 59 C TYR A 6 2.859 -3.936 5.995 1.00 0.39 C ATOM 60 O TYR A 6 2.663 -2.780 5.631 1.00 0.90 O ATOM 61 CB TYR A 6 0.691 -4.524 6.960 1.00 0.30 C ATOM 62 CG TYR A 6 -0.222 -4.693 8.139 1.00 0.44 C ATOM 63 CD1 TYR A 6 0.085 -5.642 9.125 1.00 1.79 C ATOM 64 CD2 TYR A 6 -1.501 -4.123 8.074 1.00 1.88 C ATOM 65 CE1 TYR A 6 -0.889 -5.993 10.074 1.00 1.86 C ATOM 66 CE2 TYR A 6 -2.504 -4.555 8.953 1.00 1.90 C ATOM 67 CZ TYR A 6 -2.188 -5.460 9.982 1.00 0.72 C ATOM 68 OH TYR A 6 -3.155 -5.932 10.819 1.00 0.93 O ATOM 0 H TYR A 6 2.138 -2.420 7.847 1.00 0.39 H new ATOM 0 HA TYR A 6 2.586 -5.342 7.610 1.00 0.25 H new ATOM 0 HB2 TYR A 6 0.377 -3.636 6.411 1.00 0.30 H new ATOM 0 HB3 TYR A 6 0.549 -5.376 6.295 1.00 0.30 H new ATOM 0 HD1 TYR A 6 1.063 -6.099 9.154 1.00 1.79 H new ATOM 0 HD2 TYR A 6 -1.713 -3.352 7.348 1.00 1.88 H new ATOM 0 HE1 TYR A 6 -0.641 -6.673 10.875 1.00 1.86 H new ATOM 0 HE2 TYR A 6 -3.516 -4.194 8.840 1.00 1.90 H new ATOM 0 HH TYR A 6 -3.999 -5.468 10.638 1.00 0.93 H new ATOM 78 N SER A 7 3.611 -4.802 5.321 1.00 0.20 N ATOM 79 CA SER A 7 4.386 -4.393 4.161 1.00 0.18 C ATOM 80 C SER A 7 3.973 -5.164 2.917 1.00 0.15 C ATOM 81 O SER A 7 3.506 -6.300 3.008 1.00 0.17 O ATOM 82 CB SER A 7 5.867 -4.612 4.478 1.00 0.29 C ATOM 83 OG SER A 7 6.284 -3.880 5.615 1.00 1.69 O ATOM 0 H SER A 7 3.698 -5.790 5.561 1.00 0.20 H new ATOM 0 HA SER A 7 4.202 -3.340 3.950 1.00 0.18 H new ATOM 0 HB2 SER A 7 6.048 -5.674 4.645 1.00 0.29 H new ATOM 0 HB3 SER A 7 6.468 -4.318 3.618 1.00 0.29 H new ATOM 0 HG SER A 7 7.234 -4.050 5.783 1.00 1.69 H new ATOM 89 N TRP A 8 4.158 -4.523 1.760 1.00 0.14 N ATOM 90 CA TRP A 8 3.954 -5.105 0.450 1.00 0.14 C ATOM 91 C TRP A 8 5.075 -4.681 -0.483 1.00 0.15 C ATOM 92 O TRP A 8 5.457 -3.511 -0.476 1.00 0.19 O ATOM 93 CB TRP A 8 2.608 -4.662 -0.109 1.00 0.21 C ATOM 94 CG TRP A 8 1.477 -5.164 0.710 1.00 0.19 C ATOM 95 CD1 TRP A 8 1.059 -6.443 0.793 1.00 0.28 C ATOM 96 CD2 TRP A 8 0.703 -4.496 1.723 1.00 0.22 C ATOM 97 NE1 TRP A 8 0.277 -6.586 1.930 1.00 0.25 N ATOM 98 CE2 TRP A 8 0.418 -5.447 2.717 1.00 0.26 C ATOM 99 CE3 TRP A 8 0.236 -3.216 2.041 1.00 0.25 C ATOM 100 CZ2 TRP A 8 0.104 -4.947 4.002 1.00 0.32 C ATOM 101 CZ3 TRP A 8 -0.913 -3.199 2.871 1.00 0.27 C ATOM 102 CH2 TRP A 8 -0.795 -3.878 4.063 1.00 0.29 C ATOM 0 H TRP A 8 4.465 -3.551 1.719 1.00 0.14 H new ATOM 0 HA TRP A 8 3.959 -6.192 0.536 1.00 0.14 H new ATOM 0 HB2 TRP A 8 2.572 -3.573 -0.149 1.00 0.21 H new ATOM 0 HB3 TRP A 8 2.503 -5.022 -1.132 1.00 0.21 H new ATOM 0 HD1 TRP A 8 1.294 -7.228 0.089 1.00 0.28 H new ATOM 0 HE1 TRP A 8 -0.305 -7.393 2.153 1.00 0.25 H new ATOM 0 HE3 TRP A 8 0.712 -2.315 1.683 1.00 0.25 H new ATOM 0 HZ2 TRP A 8 0.539 -5.371 4.895 1.00 0.32 H new ATOM 0 HZ3 TRP A 8 -1.821 -2.687 2.587 1.00 0.27 H new ATOM 0 HH2 TRP A 8 -1.342 -3.612 4.955 1.00 0.29 H new ATOM 113 N LYS A 9 5.528 -5.624 -1.313 1.00 0.19 N ATOM 114 CA LYS A 9 6.562 -5.427 -2.319 1.00 0.22 C ATOM 115 C LYS A 9 5.865 -5.208 -3.659 1.00 0.28 C ATOM 116 O LYS A 9 5.140 -6.104 -4.084 1.00 0.44 O ATOM 117 CB LYS A 9 7.509 -6.639 -2.374 1.00 0.31 C ATOM 118 CG LYS A 9 6.804 -8.007 -2.307 1.00 0.73 C ATOM 119 CD LYS A 9 7.799 -9.171 -2.288 1.00 0.64 C ATOM 120 CE LYS A 9 8.426 -9.397 -3.671 1.00 1.32 C ATOM 121 NZ LYS A 9 9.359 -10.540 -3.664 1.00 1.95 N ATOM 0 H LYS A 9 5.169 -6.578 -1.298 1.00 0.19 H new ATOM 0 HA LYS A 9 7.175 -4.561 -2.071 1.00 0.22 H new ATOM 0 HB2 LYS A 9 8.089 -6.589 -3.295 1.00 0.31 H new ATOM 0 HB3 LYS A 9 8.216 -6.569 -1.548 1.00 0.31 H new ATOM 0 HG2 LYS A 9 6.181 -8.049 -1.414 1.00 0.73 H new ATOM 0 HG3 LYS A 9 6.139 -8.114 -3.164 1.00 0.73 H new ATOM 0 HD2 LYS A 9 8.584 -8.968 -1.560 1.00 0.64 H new ATOM 0 HD3 LYS A 9 7.292 -10.080 -1.964 1.00 0.64 H new ATOM 0 HE2 LYS A 9 7.639 -9.574 -4.404 1.00 1.32 H new ATOM 0 HE3 LYS A 9 8.955 -8.497 -3.983 1.00 1.32 H new ATOM 0 HZ1 LYS A 9 9.764 -10.664 -4.614 1.00 1.95 H new ATOM 0 HZ2 LYS A 9 10.124 -10.360 -2.983 1.00 1.95 H new ATOM 0 HZ3 LYS A 9 8.848 -11.404 -3.390 1.00 1.95 H new ATOM 135 N VAL A 10 6.016 -4.034 -4.285 1.00 0.46 N ATOM 136 CA VAL A 10 5.194 -3.600 -5.413 1.00 0.65 C ATOM 137 C VAL A 10 6.012 -3.201 -6.643 1.00 0.95 C ATOM 138 O VAL A 10 6.555 -2.099 -6.728 1.00 2.07 O ATOM 139 CB VAL A 10 4.218 -2.509 -4.952 1.00 0.81 C ATOM 140 CG1 VAL A 10 4.836 -1.166 -4.565 1.00 1.29 C ATOM 141 CG2 VAL A 10 3.138 -2.287 -6.014 1.00 1.73 C ATOM 0 H VAL A 10 6.724 -3.351 -4.015 1.00 0.46 H new ATOM 0 HA VAL A 10 4.610 -4.455 -5.753 1.00 0.65 H new ATOM 0 HB VAL A 10 3.799 -2.901 -4.025 1.00 0.81 H new ATOM 0 HG11 VAL A 10 4.048 -0.478 -4.257 1.00 1.29 H new ATOM 0 HG12 VAL A 10 5.534 -1.311 -3.740 1.00 1.29 H new ATOM 0 HG13 VAL A 10 5.367 -0.750 -5.421 1.00 1.29 H new ATOM 0 HG21 VAL A 10 2.451 -1.511 -5.677 1.00 1.73 H new ATOM 0 HG22 VAL A 10 3.605 -1.977 -6.949 1.00 1.73 H new ATOM 0 HG23 VAL A 10 2.588 -3.215 -6.173 1.00 1.73 H new ATOM 151 N SER A 11 6.035 -4.080 -7.645 1.00 0.49 N ATOM 152 CA SER A 11 6.753 -3.876 -8.891 1.00 0.48 C ATOM 153 C SER A 11 6.000 -2.881 -9.783 1.00 0.52 C ATOM 154 O SER A 11 5.480 -3.244 -10.835 1.00 0.94 O ATOM 155 CB SER A 11 6.967 -5.250 -9.542 1.00 0.68 C ATOM 156 OG SER A 11 5.819 -6.072 -9.386 1.00 2.62 O ATOM 0 H SER A 11 5.542 -4.972 -7.606 1.00 0.49 H new ATOM 0 HA SER A 11 7.732 -3.428 -8.720 1.00 0.48 H new ATOM 0 HB2 SER A 11 7.187 -5.124 -10.602 1.00 0.68 H new ATOM 0 HB3 SER A 11 7.832 -5.738 -9.093 1.00 0.68 H new ATOM 0 HG SER A 11 5.979 -6.941 -9.810 1.00 2.62 H new ATOM 162 N GLY A 12 5.937 -1.613 -9.365 1.00 0.62 N ATOM 163 CA GLY A 12 5.240 -0.584 -10.126 1.00 0.63 C ATOM 164 C GLY A 12 5.490 0.835 -9.618 1.00 0.67 C ATOM 165 O GLY A 12 5.691 1.738 -10.422 1.00 1.30 O ATOM 0 H GLY A 12 6.363 -1.279 -8.501 1.00 0.62 H new ATOM 0 HA2 GLY A 12 5.548 -0.646 -11.170 1.00 0.63 H new ATOM 0 HA3 GLY A 12 4.169 -0.787 -10.097 1.00 0.63 H new ATOM 169 N MET A 13 5.443 1.059 -8.299 1.00 0.60 N ATOM 170 CA MET A 13 5.565 2.406 -7.747 1.00 0.53 C ATOM 171 C MET A 13 6.898 3.068 -8.124 1.00 0.47 C ATOM 172 O MET A 13 7.964 2.601 -7.722 1.00 0.56 O ATOM 173 CB MET A 13 5.431 2.376 -6.225 1.00 0.65 C ATOM 174 CG MET A 13 3.995 2.368 -5.708 1.00 1.26 C ATOM 175 SD MET A 13 3.854 3.140 -4.075 1.00 2.02 S ATOM 176 CE MET A 13 4.957 2.108 -3.079 1.00 2.34 C ATOM 0 H MET A 13 5.322 0.326 -7.600 1.00 0.60 H new ATOM 0 HA MET A 13 4.758 2.997 -8.179 1.00 0.53 H new ATOM 0 HB2 MET A 13 5.943 1.491 -5.847 1.00 0.65 H new ATOM 0 HB3 MET A 13 5.946 3.243 -5.812 1.00 0.65 H new ATOM 0 HG2 MET A 13 3.353 2.895 -6.414 1.00 1.26 H new ATOM 0 HG3 MET A 13 3.635 1.341 -5.655 1.00 1.26 H new ATOM 0 HE1 MET A 13 5.261 2.656 -2.187 1.00 2.34 H new ATOM 0 HE2 MET A 13 4.436 1.197 -2.785 1.00 2.34 H new ATOM 0 HE3 MET A 13 5.839 1.848 -3.664 1.00 2.34 H new ATOM 186 N ASP A 14 6.817 4.193 -8.840 1.00 0.60 N ATOM 187 CA ASP A 14 7.890 4.782 -9.629 1.00 0.54 C ATOM 188 C ASP A 14 8.080 6.294 -9.398 1.00 0.56 C ATOM 189 O ASP A 14 9.201 6.782 -9.537 1.00 0.69 O ATOM 190 CB ASP A 14 7.552 4.510 -11.101 1.00 0.77 C ATOM 191 CG ASP A 14 6.189 5.066 -11.518 1.00 1.01 C ATOM 192 OD1 ASP A 14 5.397 5.470 -10.642 1.00 1.56 O ATOM 193 OD2 ASP A 14 5.944 5.144 -12.740 1.00 1.26 O ATOM 0 H ASP A 14 5.957 4.740 -8.884 1.00 0.60 H new ATOM 0 HA ASP A 14 8.834 4.330 -9.326 1.00 0.54 H new ATOM 0 HB2 ASP A 14 8.325 4.949 -11.732 1.00 0.77 H new ATOM 0 HB3 ASP A 14 7.568 3.435 -11.278 1.00 0.77 H new ATOM 198 N CYS A 15 7.017 7.029 -9.049 1.00 0.53 N ATOM 199 CA CYS A 15 6.974 8.482 -8.951 1.00 0.60 C ATOM 200 C CYS A 15 6.301 8.885 -7.643 1.00 0.52 C ATOM 201 O CYS A 15 5.476 8.147 -7.107 1.00 0.47 O ATOM 202 CB CYS A 15 6.146 9.090 -10.099 1.00 0.70 C ATOM 203 SG CYS A 15 6.393 8.286 -11.704 1.00 0.84 S ATOM 0 H CYS A 15 6.122 6.599 -8.817 1.00 0.53 H new ATOM 0 HA CYS A 15 8.000 8.848 -9.000 1.00 0.60 H new ATOM 0 HB2 CYS A 15 5.089 9.036 -9.837 1.00 0.70 H new ATOM 0 HB3 CYS A 15 6.397 10.147 -10.193 1.00 0.70 H new ATOM 208 N ALA A 16 6.562 10.112 -7.191 1.00 0.53 N ATOM 209 CA ALA A 16 5.913 10.668 -6.013 1.00 0.50 C ATOM 210 C ALA A 16 4.405 10.850 -6.238 1.00 0.45 C ATOM 211 O ALA A 16 3.606 10.719 -5.313 1.00 0.45 O ATOM 212 CB ALA A 16 6.568 12.000 -5.638 1.00 0.57 C ATOM 0 H ALA A 16 7.229 10.744 -7.634 1.00 0.53 H new ATOM 0 HA ALA A 16 6.038 9.965 -5.189 1.00 0.50 H new ATOM 0 HB1 ALA A 16 6.078 12.411 -4.756 1.00 0.57 H new ATOM 0 HB2 ALA A 16 7.624 11.838 -5.424 1.00 0.57 H new ATOM 0 HB3 ALA A 16 6.469 12.700 -6.467 1.00 0.57 H new ATOM 218 N ALA A 17 3.997 11.166 -7.471 1.00 0.45 N ATOM 219 CA ALA A 17 2.584 11.268 -7.820 1.00 0.42 C ATOM 220 C ALA A 17 1.908 9.900 -7.670 1.00 0.38 C ATOM 221 O ALA A 17 0.839 9.783 -7.069 1.00 0.33 O ATOM 222 CB ALA A 17 2.440 11.806 -9.245 1.00 0.46 C ATOM 0 H ALA A 17 4.633 11.356 -8.246 1.00 0.45 H new ATOM 0 HA ALA A 17 2.090 11.964 -7.142 1.00 0.42 H new ATOM 0 HB1 ALA A 17 1.383 11.880 -9.501 1.00 0.46 H new ATOM 0 HB2 ALA A 17 2.899 12.792 -9.310 1.00 0.46 H new ATOM 0 HB3 ALA A 17 2.935 11.129 -9.941 1.00 0.46 H new ATOM 228 N CYS A 18 2.550 8.871 -8.225 1.00 0.42 N ATOM 229 CA CYS A 18 2.105 7.490 -8.158 1.00 0.36 C ATOM 230 C CYS A 18 1.999 7.081 -6.687 1.00 0.28 C ATOM 231 O CYS A 18 0.946 6.624 -6.249 1.00 0.26 O ATOM 232 CB CYS A 18 3.061 6.619 -8.990 1.00 0.40 C ATOM 233 SG CYS A 18 3.131 7.298 -10.684 1.00 0.66 S ATOM 0 H CYS A 18 3.419 8.985 -8.747 1.00 0.42 H new ATOM 0 HA CYS A 18 1.113 7.355 -8.590 1.00 0.36 H new ATOM 0 HB2 CYS A 18 4.055 6.613 -8.542 1.00 0.40 H new ATOM 0 HB3 CYS A 18 2.713 5.586 -9.009 1.00 0.40 H new ATOM 238 N ALA A 19 3.056 7.329 -5.907 1.00 0.30 N ATOM 239 CA ALA A 19 3.043 7.182 -4.459 1.00 0.30 C ATOM 240 C ALA A 19 1.807 7.838 -3.845 1.00 0.25 C ATOM 241 O ALA A 19 1.007 7.146 -3.224 1.00 0.23 O ATOM 242 CB ALA A 19 4.326 7.758 -3.861 1.00 0.36 C ATOM 0 H ALA A 19 3.955 7.642 -6.275 1.00 0.30 H new ATOM 0 HA ALA A 19 2.997 6.119 -4.223 1.00 0.30 H new ATOM 0 HB1 ALA A 19 4.306 7.643 -2.777 1.00 0.36 H new ATOM 0 HB2 ALA A 19 5.187 7.227 -4.266 1.00 0.36 H new ATOM 0 HB3 ALA A 19 4.401 8.816 -4.112 1.00 0.36 H new ATOM 248 N ARG A 20 1.621 9.150 -4.031 1.00 0.33 N ATOM 249 CA ARG A 20 0.477 9.869 -3.508 1.00 0.28 C ATOM 250 C ARG A 20 -0.829 9.150 -3.857 1.00 0.25 C ATOM 251 O ARG A 20 -1.692 8.958 -2.999 1.00 0.29 O ATOM 252 CB ARG A 20 0.491 11.297 -4.058 1.00 0.26 C ATOM 253 CG ARG A 20 1.174 12.279 -3.100 1.00 0.81 C ATOM 254 CD ARG A 20 0.873 13.712 -3.550 1.00 1.12 C ATOM 255 NE ARG A 20 1.650 14.692 -2.777 1.00 2.41 N ATOM 256 CZ ARG A 20 1.619 16.018 -2.986 1.00 3.39 C ATOM 257 NH1 ARG A 20 0.754 16.531 -3.869 1.00 3.41 N ATOM 258 NH2 ARG A 20 2.455 16.824 -2.320 1.00 4.72 N ATOM 0 H ARG A 20 2.271 9.737 -4.554 1.00 0.33 H new ATOM 0 HA ARG A 20 0.539 9.906 -2.420 1.00 0.28 H new ATOM 0 HB2 ARG A 20 1.007 11.310 -5.018 1.00 0.26 H new ATOM 0 HB3 ARG A 20 -0.532 11.624 -4.242 1.00 0.26 H new ATOM 0 HG2 ARG A 20 0.816 12.122 -2.083 1.00 0.81 H new ATOM 0 HG3 ARG A 20 2.250 12.107 -3.090 1.00 0.81 H new ATOM 0 HD2 ARG A 20 1.103 13.818 -4.610 1.00 1.12 H new ATOM 0 HD3 ARG A 20 -0.191 13.916 -3.433 1.00 1.12 H new ATOM 0 HE ARG A 20 2.253 14.341 -2.033 1.00 2.41 H new ATOM 0 HH11 ARG A 20 0.122 15.915 -4.380 1.00 3.41 H new ATOM 0 HH12 ARG A 20 0.727 17.538 -4.031 1.00 3.41 H new ATOM 0 HH21 ARG A 20 3.118 16.431 -1.652 1.00 4.72 H new ATOM 0 HH22 ARG A 20 2.429 17.831 -2.481 1.00 4.72 H new ATOM 272 N LYS A 21 -0.984 8.748 -5.119 1.00 0.24 N ATOM 273 CA LYS A 21 -2.175 8.054 -5.566 1.00 0.25 C ATOM 274 C LYS A 21 -2.342 6.734 -4.819 1.00 0.21 C ATOM 275 O LYS A 21 -3.447 6.421 -4.383 1.00 0.24 O ATOM 276 CB LYS A 21 -2.128 7.857 -7.087 1.00 0.33 C ATOM 277 CG LYS A 21 -2.968 8.940 -7.771 1.00 0.89 C ATOM 278 CD LYS A 21 -2.829 8.853 -9.295 1.00 1.69 C ATOM 279 CE LYS A 21 -3.915 9.705 -9.965 1.00 2.13 C ATOM 280 NZ LYS A 21 -3.755 9.759 -11.433 1.00 3.02 N ATOM 0 H LYS A 21 -0.288 8.897 -5.850 1.00 0.24 H new ATOM 0 HA LYS A 21 -3.051 8.661 -5.338 1.00 0.25 H new ATOM 0 HB2 LYS A 21 -1.097 7.906 -7.439 1.00 0.33 H new ATOM 0 HB3 LYS A 21 -2.508 6.869 -7.348 1.00 0.33 H new ATOM 0 HG2 LYS A 21 -4.015 8.827 -7.489 1.00 0.89 H new ATOM 0 HG3 LYS A 21 -2.650 9.924 -7.428 1.00 0.89 H new ATOM 0 HD2 LYS A 21 -1.842 9.200 -9.600 1.00 1.69 H new ATOM 0 HD3 LYS A 21 -2.916 7.816 -9.619 1.00 1.69 H new ATOM 0 HE2 LYS A 21 -4.896 9.296 -9.723 1.00 2.13 H new ATOM 0 HE3 LYS A 21 -3.882 10.716 -9.560 1.00 2.13 H new ATOM 0 HZ1 LYS A 21 -4.510 10.345 -11.843 1.00 3.02 H new ATOM 0 HZ2 LYS A 21 -2.830 10.173 -11.666 1.00 3.02 H new ATOM 0 HZ3 LYS A 21 -3.812 8.797 -11.824 1.00 3.02 H new ATOM 294 N VAL A 22 -1.266 5.966 -4.657 1.00 0.19 N ATOM 295 CA VAL A 22 -1.315 4.695 -3.961 1.00 0.21 C ATOM 296 C VAL A 22 -1.715 4.930 -2.507 1.00 0.21 C ATOM 297 O VAL A 22 -2.653 4.299 -2.017 1.00 0.27 O ATOM 298 CB VAL A 22 0.033 3.968 -4.111 1.00 0.23 C ATOM 299 CG1 VAL A 22 0.122 2.746 -3.201 1.00 0.28 C ATOM 300 CG2 VAL A 22 0.181 3.465 -5.550 1.00 0.41 C ATOM 0 H VAL A 22 -0.340 6.213 -5.006 1.00 0.19 H new ATOM 0 HA VAL A 22 -2.071 4.043 -4.399 1.00 0.21 H new ATOM 0 HB VAL A 22 0.814 4.680 -3.845 1.00 0.23 H new ATOM 0 HG11 VAL A 22 1.089 2.261 -3.337 1.00 0.28 H new ATOM 0 HG12 VAL A 22 0.015 3.058 -2.162 1.00 0.28 H new ATOM 0 HG13 VAL A 22 -0.674 2.046 -3.453 1.00 0.28 H new ATOM 0 HG21 VAL A 22 1.135 2.950 -5.659 1.00 0.41 H new ATOM 0 HG22 VAL A 22 -0.632 2.776 -5.780 1.00 0.41 H new ATOM 0 HG23 VAL A 22 0.145 4.311 -6.237 1.00 0.41 H new ATOM 310 N GLU A 23 -1.027 5.836 -1.805 1.00 0.22 N ATOM 311 CA GLU A 23 -1.293 6.008 -0.389 1.00 0.31 C ATOM 312 C GLU A 23 -2.725 6.477 -0.194 1.00 0.26 C ATOM 313 O GLU A 23 -3.413 5.985 0.691 1.00 0.33 O ATOM 314 CB GLU A 23 -0.290 6.920 0.320 1.00 0.42 C ATOM 315 CG GLU A 23 -0.268 8.359 -0.190 1.00 0.44 C ATOM 316 CD GLU A 23 0.788 9.224 0.486 1.00 0.75 C ATOM 317 OE1 GLU A 23 1.563 8.664 1.291 1.00 2.06 O ATOM 318 OE2 GLU A 23 0.785 10.437 0.183 1.00 1.53 O ATOM 0 H GLU A 23 -0.302 6.443 -2.188 1.00 0.22 H new ATOM 0 HA GLU A 23 -1.165 5.035 0.086 1.00 0.31 H new ATOM 0 HB2 GLU A 23 -0.518 6.930 1.386 1.00 0.42 H new ATOM 0 HB3 GLU A 23 0.708 6.495 0.211 1.00 0.42 H new ATOM 0 HG2 GLU A 23 -0.088 8.353 -1.265 1.00 0.44 H new ATOM 0 HG3 GLU A 23 -1.249 8.807 -0.033 1.00 0.44 H new ATOM 325 N ASN A 24 -3.189 7.395 -1.043 1.00 0.23 N ATOM 326 CA ASN A 24 -4.564 7.856 -1.019 1.00 0.28 C ATOM 327 C ASN A 24 -5.512 6.687 -1.259 1.00 0.28 C ATOM 328 O ASN A 24 -6.394 6.453 -0.439 1.00 0.35 O ATOM 329 CB ASN A 24 -4.782 8.976 -2.041 1.00 0.36 C ATOM 330 CG ASN A 24 -4.443 10.334 -1.439 1.00 1.39 C ATOM 331 OD1 ASN A 24 -5.323 11.057 -0.984 1.00 2.34 O ATOM 332 ND2 ASN A 24 -3.165 10.685 -1.405 1.00 2.61 N ATOM 0 H ASN A 24 -2.617 7.835 -1.764 1.00 0.23 H new ATOM 0 HA ASN A 24 -4.779 8.270 -0.034 1.00 0.28 H new ATOM 0 HB2 ASN A 24 -4.162 8.798 -2.920 1.00 0.36 H new ATOM 0 HB3 ASN A 24 -5.819 8.971 -2.377 1.00 0.36 H new ATOM 0 HD21 ASN A 24 -2.892 11.577 -0.993 1.00 2.61 H new ATOM 0 HD22 ASN A 24 -2.455 10.063 -1.791 1.00 2.61 H new ATOM 339 N ALA A 25 -5.330 5.956 -2.365 1.00 0.32 N ATOM 340 CA ALA A 25 -6.139 4.798 -2.737 1.00 0.39 C ATOM 341 C ALA A 25 -6.281 3.811 -1.578 1.00 0.35 C ATOM 342 O ALA A 25 -7.341 3.220 -1.388 1.00 0.41 O ATOM 343 CB ALA A 25 -5.537 4.106 -3.964 1.00 0.44 C ATOM 0 H ALA A 25 -4.595 6.162 -3.042 1.00 0.32 H new ATOM 0 HA ALA A 25 -7.139 5.155 -2.985 1.00 0.39 H new ATOM 0 HB1 ALA A 25 -6.148 3.244 -4.232 1.00 0.44 H new ATOM 0 HB2 ALA A 25 -5.510 4.806 -4.799 1.00 0.44 H new ATOM 0 HB3 ALA A 25 -4.524 3.775 -3.735 1.00 0.44 H new ATOM 349 N VAL A 26 -5.221 3.646 -0.792 1.00 0.29 N ATOM 350 CA VAL A 26 -5.258 2.827 0.406 1.00 0.29 C ATOM 351 C VAL A 26 -5.973 3.554 1.555 1.00 0.32 C ATOM 352 O VAL A 26 -6.855 2.994 2.204 1.00 0.34 O ATOM 353 CB VAL A 26 -3.821 2.403 0.737 1.00 0.37 C ATOM 354 CG1 VAL A 26 -3.746 1.646 2.061 1.00 2.02 C ATOM 355 CG2 VAL A 26 -3.318 1.492 -0.388 1.00 1.96 C ATOM 0 H VAL A 26 -4.315 4.078 -0.971 1.00 0.29 H new ATOM 0 HA VAL A 26 -5.847 1.925 0.242 1.00 0.29 H new ATOM 0 HB VAL A 26 -3.206 3.298 0.828 1.00 0.37 H new ATOM 0 HG11 VAL A 26 -2.712 1.363 2.260 1.00 2.02 H new ATOM 0 HG12 VAL A 26 -4.109 2.285 2.866 1.00 2.02 H new ATOM 0 HG13 VAL A 26 -4.363 0.749 2.003 1.00 2.02 H new ATOM 0 HG21 VAL A 26 -2.297 1.178 -0.173 1.00 1.96 H new ATOM 0 HG22 VAL A 26 -3.960 0.614 -0.460 1.00 1.96 H new ATOM 0 HG23 VAL A 26 -3.339 2.035 -1.333 1.00 1.96 H new ATOM 365 N ARG A 27 -5.614 4.810 1.815 1.00 0.36 N ATOM 366 CA ARG A 27 -6.111 5.593 2.940 1.00 0.44 C ATOM 367 C ARG A 27 -7.642 5.656 2.979 1.00 0.48 C ATOM 368 O ARG A 27 -8.226 5.790 4.051 1.00 0.51 O ATOM 369 CB ARG A 27 -5.482 6.989 2.878 1.00 0.50 C ATOM 370 CG ARG A 27 -5.722 7.799 4.152 1.00 0.46 C ATOM 371 CD ARG A 27 -4.913 9.099 4.084 1.00 0.58 C ATOM 372 NE ARG A 27 -5.101 9.889 5.311 1.00 0.62 N ATOM 373 CZ ARG A 27 -4.577 11.106 5.525 1.00 1.05 C ATOM 374 NH1 ARG A 27 -3.803 11.668 4.589 1.00 1.69 N ATOM 375 NH2 ARG A 27 -4.831 11.752 6.668 1.00 1.15 N ATOM 0 H ARG A 27 -4.952 5.323 1.232 1.00 0.36 H new ATOM 0 HA ARG A 27 -5.819 5.103 3.869 1.00 0.44 H new ATOM 0 HB2 ARG A 27 -4.409 6.893 2.710 1.00 0.50 H new ATOM 0 HB3 ARG A 27 -5.891 7.530 2.025 1.00 0.50 H new ATOM 0 HG2 ARG A 27 -6.783 8.023 4.260 1.00 0.46 H new ATOM 0 HG3 ARG A 27 -5.428 7.219 5.027 1.00 0.46 H new ATOM 0 HD2 ARG A 27 -3.856 8.870 3.951 1.00 0.58 H new ATOM 0 HD3 ARG A 27 -5.224 9.683 3.218 1.00 0.58 H new ATOM 0 HE ARG A 27 -5.671 9.482 6.053 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -3.614 11.172 3.718 1.00 1.69 H new ATOM 0 HH12 ARG A 27 -3.402 12.593 4.746 1.00 1.69 H new ATOM 0 HH21 ARG A 27 -5.423 11.320 7.377 1.00 1.15 H new ATOM 0 HH22 ARG A 27 -4.433 12.677 6.830 1.00 1.15 H new ATOM 389 N GLN A 28 -8.293 5.548 1.817 1.00 0.57 N ATOM 390 CA GLN A 28 -9.751 5.566 1.705 1.00 0.65 C ATOM 391 C GLN A 28 -10.418 4.460 2.528 1.00 0.52 C ATOM 392 O GLN A 28 -11.603 4.575 2.828 1.00 0.55 O ATOM 393 CB GLN A 28 -10.233 5.465 0.243 1.00 1.00 C ATOM 394 CG GLN A 28 -9.222 6.052 -0.740 1.00 1.10 C ATOM 395 CD GLN A 28 -9.766 6.370 -2.125 1.00 1.12 C ATOM 396 OE1 GLN A 28 -10.838 5.924 -2.517 1.00 1.34 O ATOM 397 NE2 GLN A 28 -9.009 7.158 -2.888 1.00 1.08 N ATOM 0 H GLN A 28 -7.817 5.445 0.921 1.00 0.57 H new ATOM 0 HA GLN A 28 -10.052 6.533 2.108 1.00 0.65 H new ATOM 0 HB2 GLN A 28 -10.415 4.420 -0.006 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -11.184 5.988 0.139 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -8.812 6.966 -0.311 1.00 1.10 H new ATOM 0 HG3 GLN A 28 -8.394 5.351 -0.846 1.00 1.10 H new ATOM 0 HE21 GLN A 28 -8.122 7.513 -2.532 1.00 1.08 H new ATOM 0 HE22 GLN A 28 -9.317 7.406 -3.828 1.00 1.08 H new ATOM 406 N LEU A 29 -9.702 3.366 2.822 1.00 0.44 N ATOM 407 CA LEU A 29 -10.329 2.139 3.297 1.00 0.45 C ATOM 408 C LEU A 29 -10.949 2.326 4.684 1.00 0.44 C ATOM 409 O LEU A 29 -12.169 2.402 4.793 1.00 0.53 O ATOM 410 CB LEU A 29 -9.324 0.979 3.225 1.00 0.38 C ATOM 411 CG LEU A 29 -8.918 0.713 1.765 1.00 0.41 C ATOM 412 CD1 LEU A 29 -7.601 -0.050 1.681 1.00 0.40 C ATOM 413 CD2 LEU A 29 -9.993 -0.054 0.990 1.00 0.54 C ATOM 0 H LEU A 29 -8.687 3.312 2.737 1.00 0.44 H new ATOM 0 HA LEU A 29 -11.162 1.883 2.643 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -8.441 1.217 3.817 1.00 0.38 H new ATOM 0 HB3 LEU A 29 -9.764 0.080 3.657 1.00 0.38 H new ATOM 0 HG LEU A 29 -8.797 1.694 1.306 1.00 0.41 H new ATOM 0 HD11 LEU A 29 -7.345 -0.220 0.635 1.00 0.40 H new ATOM 0 HD12 LEU A 29 -6.812 0.532 2.157 1.00 0.40 H new ATOM 0 HD13 LEU A 29 -7.703 -1.008 2.190 1.00 0.40 H new ATOM 0 HD21 LEU A 29 -9.657 -0.216 -0.034 1.00 0.54 H new ATOM 0 HD22 LEU A 29 -10.171 -1.016 1.470 1.00 0.54 H new ATOM 0 HD23 LEU A 29 -10.917 0.524 0.982 1.00 0.54 H new ATOM 425 N ALA A 30 -10.112 2.373 5.729 1.00 0.38 N ATOM 426 CA ALA A 30 -10.472 2.579 7.131 1.00 0.41 C ATOM 427 C ALA A 30 -9.318 2.158 8.046 1.00 0.40 C ATOM 428 O ALA A 30 -8.777 2.975 8.781 1.00 0.42 O ATOM 429 CB ALA A 30 -11.708 1.762 7.497 1.00 0.52 C ATOM 0 H ALA A 30 -9.106 2.261 5.607 1.00 0.38 H new ATOM 0 HA ALA A 30 -10.684 3.640 7.267 1.00 0.41 H new ATOM 0 HB1 ALA A 30 -11.958 1.930 8.544 1.00 0.52 H new ATOM 0 HB2 ALA A 30 -12.545 2.068 6.870 1.00 0.52 H new ATOM 0 HB3 ALA A 30 -11.504 0.703 7.338 1.00 0.52 H new ATOM 435 N GLY A 31 -8.972 0.865 8.010 1.00 0.39 N ATOM 436 CA GLY A 31 -7.981 0.237 8.885 1.00 0.42 C ATOM 437 C GLY A 31 -6.676 1.021 8.969 1.00 0.42 C ATOM 438 O GLY A 31 -6.080 1.132 10.039 1.00 0.48 O ATOM 0 H GLY A 31 -9.389 0.209 7.349 1.00 0.39 H new ATOM 0 HA2 GLY A 31 -8.401 0.134 9.885 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -7.771 -0.769 8.523 1.00 0.42 H new ATOM 442 N VAL A 32 -6.210 1.504 7.813 1.00 0.34 N ATOM 443 CA VAL A 32 -4.976 2.242 7.671 1.00 0.29 C ATOM 444 C VAL A 32 -5.018 3.557 8.448 1.00 0.26 C ATOM 445 O VAL A 32 -5.867 4.405 8.180 1.00 0.30 O ATOM 446 CB VAL A 32 -4.628 2.405 6.186 1.00 0.30 C ATOM 447 CG1 VAL A 32 -5.810 2.456 5.235 1.00 0.28 C ATOM 448 CG2 VAL A 32 -3.721 3.604 5.905 1.00 0.42 C ATOM 0 H VAL A 32 -6.705 1.382 6.930 1.00 0.34 H new ATOM 0 HA VAL A 32 -4.161 1.674 8.121 1.00 0.29 H new ATOM 0 HB VAL A 32 -4.091 1.479 5.980 1.00 0.30 H new ATOM 0 HG11 VAL A 32 -5.450 2.573 4.213 1.00 0.28 H new ATOM 0 HG12 VAL A 32 -6.381 1.531 5.315 1.00 0.28 H new ATOM 0 HG13 VAL A 32 -6.449 3.301 5.493 1.00 0.28 H new ATOM 0 HG21 VAL A 32 -3.514 3.661 4.836 1.00 0.42 H new ATOM 0 HG22 VAL A 32 -4.217 4.519 6.228 1.00 0.42 H new ATOM 0 HG23 VAL A 32 -2.784 3.487 6.450 1.00 0.42 H new ATOM 458 N ASN A 33 -4.052 3.750 9.351 1.00 0.27 N ATOM 459 CA ASN A 33 -3.868 5.011 10.054 1.00 0.41 C ATOM 460 C ASN A 33 -2.795 5.795 9.308 1.00 0.48 C ATOM 461 O ASN A 33 -3.020 6.923 8.876 1.00 0.64 O ATOM 462 CB ASN A 33 -3.366 4.809 11.494 1.00 0.55 C ATOM 463 CG ASN A 33 -4.033 3.699 12.289 1.00 0.80 C ATOM 464 OD1 ASN A 33 -5.051 3.904 12.942 1.00 1.10 O ATOM 465 ND2 ASN A 33 -3.382 2.546 12.293 1.00 1.28 N ATOM 0 H ASN A 33 -3.377 3.031 9.612 1.00 0.27 H new ATOM 0 HA ASN A 33 -4.829 5.525 10.093 1.00 0.41 H new ATOM 0 HB2 ASN A 33 -2.295 4.609 11.458 1.00 0.55 H new ATOM 0 HB3 ASN A 33 -3.497 5.745 12.037 1.00 0.55 H new ATOM 0 HD21 ASN A 33 -3.723 1.770 12.860 1.00 1.28 H new ATOM 0 HD22 ASN A 33 -2.540 2.434 11.729 1.00 1.28 H new ATOM 472 N GLN A 34 -1.613 5.182 9.188 1.00 0.38 N ATOM 473 CA GLN A 34 -0.402 5.815 8.700 1.00 0.32 C ATOM 474 C GLN A 34 0.016 5.080 7.431 1.00 0.38 C ATOM 475 O GLN A 34 0.282 3.880 7.452 1.00 0.60 O ATOM 476 CB GLN A 34 0.677 5.740 9.790 1.00 0.33 C ATOM 477 CG GLN A 34 1.980 6.479 9.452 1.00 0.43 C ATOM 478 CD GLN A 34 1.892 7.964 9.789 1.00 0.80 C ATOM 479 OE1 GLN A 34 2.238 8.377 10.889 1.00 2.36 O ATOM 480 NE2 GLN A 34 1.427 8.789 8.854 1.00 1.65 N ATOM 0 H GLN A 34 -1.478 4.202 9.438 1.00 0.38 H new ATOM 0 HA GLN A 34 -0.557 6.868 8.467 1.00 0.32 H new ATOM 0 HB2 GLN A 34 0.271 6.151 10.714 1.00 0.33 H new ATOM 0 HB3 GLN A 34 0.908 4.692 9.982 1.00 0.33 H new ATOM 0 HG2 GLN A 34 2.806 6.030 10.003 1.00 0.43 H new ATOM 0 HG3 GLN A 34 2.201 6.359 8.391 1.00 0.43 H new ATOM 0 HE21 GLN A 34 1.145 8.422 7.945 1.00 1.65 H new ATOM 0 HE22 GLN A 34 1.353 9.788 9.046 1.00 1.65 H new ATOM 489 N VAL A 35 0.058 5.809 6.322 1.00 0.36 N ATOM 490 CA VAL A 35 0.557 5.329 5.052 1.00 0.47 C ATOM 491 C VAL A 35 2.075 5.517 5.010 1.00 0.32 C ATOM 492 O VAL A 35 2.578 6.519 5.515 1.00 0.53 O ATOM 493 CB VAL A 35 -0.139 6.115 3.930 1.00 0.91 C ATOM 494 CG1 VAL A 35 -1.622 5.735 3.851 1.00 1.13 C ATOM 495 CG2 VAL A 35 -0.009 7.646 4.054 1.00 2.60 C ATOM 0 H VAL A 35 -0.264 6.776 6.287 1.00 0.36 H new ATOM 0 HA VAL A 35 0.344 4.268 4.920 1.00 0.47 H new ATOM 0 HB VAL A 35 0.380 5.833 3.014 1.00 0.91 H new ATOM 0 HG11 VAL A 35 -2.100 6.301 3.051 1.00 1.13 H new ATOM 0 HG12 VAL A 35 -1.714 4.668 3.646 1.00 1.13 H new ATOM 0 HG13 VAL A 35 -2.108 5.966 4.799 1.00 1.13 H new ATOM 0 HG21 VAL A 35 -0.528 8.124 3.223 1.00 2.60 H new ATOM 0 HG22 VAL A 35 -0.452 7.974 4.995 1.00 2.60 H new ATOM 0 HG23 VAL A 35 1.045 7.925 4.032 1.00 2.60 H new ATOM 505 N GLN A 36 2.808 4.575 4.405 1.00 0.24 N ATOM 506 CA GLN A 36 4.210 4.769 4.069 1.00 0.30 C ATOM 507 C GLN A 36 4.561 3.955 2.816 1.00 0.33 C ATOM 508 O GLN A 36 5.212 2.909 2.884 1.00 0.44 O ATOM 509 CB GLN A 36 5.100 4.434 5.271 1.00 0.31 C ATOM 510 CG GLN A 36 6.552 4.863 4.996 1.00 0.38 C ATOM 511 CD GLN A 36 7.563 4.322 5.999 1.00 0.62 C ATOM 512 OE1 GLN A 36 8.440 5.040 6.460 1.00 1.62 O ATOM 513 NE2 GLN A 36 7.502 3.030 6.309 1.00 0.62 N ATOM 0 H GLN A 36 2.441 3.662 4.138 1.00 0.24 H new ATOM 0 HA GLN A 36 4.393 5.817 3.833 1.00 0.30 H new ATOM 0 HB2 GLN A 36 4.726 4.940 6.161 1.00 0.31 H new ATOM 0 HB3 GLN A 36 5.062 3.364 5.473 1.00 0.31 H new ATOM 0 HG2 GLN A 36 6.834 4.531 3.997 1.00 0.38 H new ATOM 0 HG3 GLN A 36 6.604 5.952 4.996 1.00 0.38 H new ATOM 0 HE21 GLN A 36 6.764 2.445 5.916 1.00 0.62 H new ATOM 0 HE22 GLN A 36 8.193 2.624 6.940 1.00 0.62 H new ATOM 522 N VAL A 37 4.195 4.503 1.658 1.00 0.32 N ATOM 523 CA VAL A 37 4.443 3.961 0.342 1.00 0.30 C ATOM 524 C VAL A 37 5.792 4.528 -0.134 1.00 0.30 C ATOM 525 O VAL A 37 5.918 5.715 -0.421 1.00 0.40 O ATOM 526 CB VAL A 37 3.242 4.324 -0.564 1.00 0.40 C ATOM 527 CG1 VAL A 37 1.909 3.838 0.017 1.00 1.66 C ATOM 528 CG2 VAL A 37 3.110 5.812 -0.895 1.00 1.31 C ATOM 0 H VAL A 37 3.689 5.388 1.622 1.00 0.32 H new ATOM 0 HA VAL A 37 4.522 2.874 0.324 1.00 0.30 H new ATOM 0 HB VAL A 37 3.465 3.801 -1.494 1.00 0.40 H new ATOM 0 HG11 VAL A 37 1.097 4.116 -0.654 1.00 1.66 H new ATOM 0 HG12 VAL A 37 1.934 2.754 0.127 1.00 1.66 H new ATOM 0 HG13 VAL A 37 1.748 4.298 0.992 1.00 1.66 H new ATOM 0 HG21 VAL A 37 2.240 5.967 -1.534 1.00 1.31 H new ATOM 0 HG22 VAL A 37 2.989 6.380 0.027 1.00 1.31 H new ATOM 0 HG23 VAL A 37 4.007 6.150 -1.414 1.00 1.31 H new ATOM 538 N LEU A 38 6.840 3.696 -0.145 1.00 0.28 N ATOM 539 CA LEU A 38 8.174 4.096 -0.557 1.00 0.30 C ATOM 540 C LEU A 38 8.396 3.573 -1.976 1.00 0.28 C ATOM 541 O LEU A 38 8.948 2.491 -2.195 1.00 0.29 O ATOM 542 CB LEU A 38 9.217 3.597 0.449 1.00 0.33 C ATOM 543 CG LEU A 38 10.625 4.093 0.094 1.00 0.37 C ATOM 544 CD1 LEU A 38 10.792 5.609 0.269 1.00 0.51 C ATOM 545 CD2 LEU A 38 11.663 3.379 0.964 1.00 0.45 C ATOM 0 H LEU A 38 6.776 2.718 0.136 1.00 0.28 H new ATOM 0 HA LEU A 38 8.281 5.181 -0.570 1.00 0.30 H new ATOM 0 HB2 LEU A 38 8.951 3.939 1.449 1.00 0.33 H new ATOM 0 HB3 LEU A 38 9.209 2.507 0.472 1.00 0.33 H new ATOM 0 HG LEU A 38 10.776 3.864 -0.961 1.00 0.37 H new ATOM 0 HD11 LEU A 38 11.809 5.896 0.002 1.00 0.51 H new ATOM 0 HD12 LEU A 38 10.086 6.130 -0.378 1.00 0.51 H new ATOM 0 HD13 LEU A 38 10.600 5.879 1.307 1.00 0.51 H new ATOM 0 HD21 LEU A 38 12.660 3.736 0.707 1.00 0.45 H new ATOM 0 HD22 LEU A 38 11.463 3.588 2.015 1.00 0.45 H new ATOM 0 HD23 LEU A 38 11.606 2.304 0.790 1.00 0.45 H new ATOM 557 N PHE A 39 7.935 4.372 -2.934 1.00 0.31 N ATOM 558 CA PHE A 39 8.127 4.127 -4.350 1.00 0.31 C ATOM 559 C PHE A 39 9.613 4.065 -4.705 1.00 0.34 C ATOM 560 O PHE A 39 10.463 4.445 -3.899 1.00 0.36 O ATOM 561 CB PHE A 39 7.409 5.221 -5.138 1.00 0.39 C ATOM 562 CG PHE A 39 8.138 6.541 -5.199 1.00 0.30 C ATOM 563 CD1 PHE A 39 7.929 7.542 -4.233 1.00 1.82 C ATOM 564 CD2 PHE A 39 8.986 6.787 -6.291 1.00 1.78 C ATOM 565 CE1 PHE A 39 8.441 8.832 -4.452 1.00 1.89 C ATOM 566 CE2 PHE A 39 9.471 8.078 -6.525 1.00 1.80 C ATOM 567 CZ PHE A 39 9.147 9.111 -5.637 1.00 0.63 C ATOM 0 H PHE A 39 7.408 5.223 -2.738 1.00 0.31 H new ATOM 0 HA PHE A 39 7.703 3.158 -4.612 1.00 0.31 H new ATOM 0 HB2 PHE A 39 7.243 4.867 -6.155 1.00 0.39 H new ATOM 0 HB3 PHE A 39 6.427 5.385 -4.693 1.00 0.39 H new ATOM 0 HD1 PHE A 39 7.379 7.321 -3.330 1.00 1.82 H new ATOM 0 HD2 PHE A 39 9.264 5.979 -6.951 1.00 1.78 H new ATOM 0 HE1 PHE A 39 8.293 9.606 -3.714 1.00 1.89 H new ATOM 0 HE2 PHE A 39 10.092 8.277 -7.386 1.00 1.80 H new ATOM 0 HZ PHE A 39 9.440 10.126 -5.862 1.00 0.63 H new ATOM 577 N ALA A 40 9.925 3.542 -5.896 1.00 0.38 N ATOM 578 CA ALA A 40 11.276 3.324 -6.414 1.00 0.42 C ATOM 579 C ALA A 40 11.973 2.166 -5.690 1.00 0.42 C ATOM 580 O ALA A 40 12.560 1.297 -6.326 1.00 0.56 O ATOM 581 CB ALA A 40 12.108 4.615 -6.409 1.00 0.49 C ATOM 0 H ALA A 40 9.205 3.246 -6.555 1.00 0.38 H new ATOM 0 HA ALA A 40 11.184 3.029 -7.459 1.00 0.42 H new ATOM 0 HB1 ALA A 40 13.104 4.408 -6.801 1.00 0.49 H new ATOM 0 HB2 ALA A 40 11.621 5.364 -7.033 1.00 0.49 H new ATOM 0 HB3 ALA A 40 12.191 4.991 -5.389 1.00 0.49 H new ATOM 587 N THR A 41 11.847 2.114 -4.362 1.00 0.43 N ATOM 588 CA THR A 41 12.323 1.037 -3.508 1.00 0.41 C ATOM 589 C THR A 41 11.335 -0.147 -3.509 1.00 0.50 C ATOM 590 O THR A 41 11.504 -1.080 -2.729 1.00 0.84 O ATOM 591 CB THR A 41 12.550 1.607 -2.093 1.00 0.50 C ATOM 592 OG1 THR A 41 13.200 2.866 -2.160 1.00 0.92 O ATOM 593 CG2 THR A 41 13.434 0.717 -1.213 1.00 0.90 C ATOM 0 H THR A 41 11.389 2.857 -3.835 1.00 0.43 H new ATOM 0 HA THR A 41 13.266 0.644 -3.887 1.00 0.41 H new ATOM 0 HB THR A 41 11.554 1.677 -1.655 1.00 0.50 H new ATOM 0 HG1 THR A 41 13.477 3.139 -1.261 1.00 0.92 H new ATOM 0 HG21 THR A 41 13.552 1.178 -0.232 1.00 0.90 H new ATOM 0 HG22 THR A 41 12.967 -0.262 -1.100 1.00 0.90 H new ATOM 0 HG23 THR A 41 14.412 0.601 -1.680 1.00 0.90 H new ATOM 601 N GLU A 42 10.307 -0.124 -4.369 1.00 0.50 N ATOM 602 CA GLU A 42 9.407 -1.251 -4.593 1.00 0.58 C ATOM 603 C GLU A 42 8.683 -1.674 -3.313 1.00 0.44 C ATOM 604 O GLU A 42 8.335 -2.846 -3.204 1.00 0.54 O ATOM 605 CB GLU A 42 10.205 -2.427 -5.211 1.00 0.83 C ATOM 606 CG GLU A 42 9.328 -3.362 -6.058 1.00 1.45 C ATOM 607 CD GLU A 42 9.948 -4.723 -6.353 1.00 2.75 C ATOM 608 OE1 GLU A 42 11.181 -4.852 -6.200 1.00 3.28 O ATOM 609 OE2 GLU A 42 9.161 -5.620 -6.736 1.00 4.15 O ATOM 0 H GLU A 42 10.079 0.694 -4.935 1.00 0.50 H new ATOM 0 HA GLU A 42 8.630 -0.940 -5.291 1.00 0.58 H new ATOM 0 HB2 GLU A 42 11.008 -2.029 -5.831 1.00 0.83 H new ATOM 0 HB3 GLU A 42 10.674 -3.001 -4.412 1.00 0.83 H new ATOM 0 HG2 GLU A 42 8.380 -3.514 -5.543 1.00 1.45 H new ATOM 0 HG3 GLU A 42 9.102 -2.868 -7.003 1.00 1.45 H new ATOM 616 N LYS A 43 8.391 -0.774 -2.358 1.00 0.33 N ATOM 617 CA LYS A 43 7.665 -1.220 -1.179 1.00 0.32 C ATOM 618 C LYS A 43 6.681 -0.206 -0.649 1.00 0.35 C ATOM 619 O LYS A 43 6.808 1.003 -0.841 1.00 0.60 O ATOM 620 CB LYS A 43 8.603 -1.769 -0.089 1.00 0.45 C ATOM 621 CG LYS A 43 9.358 -0.760 0.797 1.00 1.04 C ATOM 622 CD LYS A 43 8.476 0.003 1.802 1.00 0.91 C ATOM 623 CE LYS A 43 9.296 0.654 2.922 1.00 1.73 C ATOM 624 NZ LYS A 43 8.463 1.584 3.715 1.00 3.12 N ATOM 0 H LYS A 43 8.636 0.216 -2.382 1.00 0.33 H new ATOM 0 HA LYS A 43 7.051 -2.056 -1.514 1.00 0.32 H new ATOM 0 HB2 LYS A 43 8.013 -2.411 0.565 1.00 0.45 H new ATOM 0 HB3 LYS A 43 9.343 -2.404 -0.576 1.00 0.45 H new ATOM 0 HG2 LYS A 43 10.135 -1.291 1.347 1.00 1.04 H new ATOM 0 HG3 LYS A 43 9.860 -0.037 0.154 1.00 1.04 H new ATOM 0 HD2 LYS A 43 7.911 0.772 1.275 1.00 0.91 H new ATOM 0 HD3 LYS A 43 7.750 -0.683 2.238 1.00 0.91 H new ATOM 0 HE2 LYS A 43 9.707 -0.118 3.573 1.00 1.73 H new ATOM 0 HE3 LYS A 43 10.141 1.192 2.493 1.00 1.73 H new ATOM 0 HZ1 LYS A 43 8.935 2.509 3.773 1.00 3.12 H new ATOM 0 HZ2 LYS A 43 7.536 1.696 3.257 1.00 3.12 H new ATOM 0 HZ3 LYS A 43 8.332 1.201 4.673 1.00 3.12 H new ATOM 638 N LEU A 44 5.715 -0.733 0.087 1.00 0.20 N ATOM 639 CA LEU A 44 4.743 -0.005 0.845 1.00 0.20 C ATOM 640 C LEU A 44 4.683 -0.698 2.207 1.00 0.21 C ATOM 641 O LEU A 44 5.004 -1.877 2.314 1.00 0.35 O ATOM 642 CB LEU A 44 3.466 0.005 -0.007 1.00 0.24 C ATOM 643 CG LEU A 44 2.150 -0.130 0.721 1.00 0.47 C ATOM 644 CD1 LEU A 44 1.927 0.942 1.758 1.00 0.64 C ATOM 645 CD2 LEU A 44 0.993 -0.134 -0.269 1.00 0.65 C ATOM 0 H LEU A 44 5.592 -1.742 0.167 1.00 0.20 H new ATOM 0 HA LEU A 44 4.954 1.043 1.058 1.00 0.20 H new ATOM 0 HB2 LEU A 44 3.445 0.936 -0.573 1.00 0.24 H new ATOM 0 HB3 LEU A 44 3.536 -0.807 -0.731 1.00 0.24 H new ATOM 0 HG LEU A 44 2.193 -1.081 1.251 1.00 0.47 H new ATOM 0 HD11 LEU A 44 0.963 0.785 2.242 1.00 0.64 H new ATOM 0 HD12 LEU A 44 2.720 0.897 2.504 1.00 0.64 H new ATOM 0 HD13 LEU A 44 1.936 1.920 1.278 1.00 0.64 H new ATOM 0 HD21 LEU A 44 0.052 -0.232 0.272 1.00 0.65 H new ATOM 0 HD22 LEU A 44 0.993 0.799 -0.832 1.00 0.65 H new ATOM 0 HD23 LEU A 44 1.105 -0.972 -0.957 1.00 0.65 H new ATOM 657 N VAL A 45 4.368 0.079 3.240 1.00 0.22 N ATOM 658 CA VAL A 45 4.218 -0.204 4.638 1.00 0.22 C ATOM 659 C VAL A 45 2.947 0.572 4.983 1.00 0.20 C ATOM 660 O VAL A 45 2.879 1.770 4.698 1.00 0.35 O ATOM 661 CB VAL A 45 5.430 0.336 5.408 1.00 0.23 C ATOM 662 CG1 VAL A 45 5.063 0.673 6.855 1.00 0.26 C ATOM 663 CG2 VAL A 45 6.556 -0.695 5.415 1.00 0.36 C ATOM 0 H VAL A 45 4.188 1.069 3.071 1.00 0.22 H new ATOM 0 HA VAL A 45 4.155 -1.264 4.886 1.00 0.22 H new ATOM 0 HB VAL A 45 5.759 1.244 4.904 1.00 0.23 H new ATOM 0 HG11 VAL A 45 5.943 1.053 7.374 1.00 0.26 H new ATOM 0 HG12 VAL A 45 4.280 1.431 6.865 1.00 0.26 H new ATOM 0 HG13 VAL A 45 4.705 -0.225 7.358 1.00 0.26 H new ATOM 0 HG21 VAL A 45 7.409 -0.298 5.965 1.00 0.36 H new ATOM 0 HG22 VAL A 45 6.209 -1.610 5.895 1.00 0.36 H new ATOM 0 HG23 VAL A 45 6.855 -0.914 4.390 1.00 0.36 H new ATOM 673 N VAL A 46 1.933 -0.098 5.514 1.00 0.26 N ATOM 674 CA VAL A 46 0.744 0.531 6.053 1.00 0.25 C ATOM 675 C VAL A 46 0.752 0.236 7.540 1.00 0.26 C ATOM 676 O VAL A 46 1.018 -0.907 7.906 1.00 0.33 O ATOM 677 CB VAL A 46 -0.508 -0.074 5.410 1.00 0.36 C ATOM 678 CG1 VAL A 46 -1.750 0.419 6.143 1.00 0.90 C ATOM 679 CG2 VAL A 46 -0.632 0.320 3.938 1.00 0.31 C ATOM 0 H VAL A 46 1.918 -1.116 5.581 1.00 0.26 H new ATOM 0 HA VAL A 46 0.735 1.603 5.855 1.00 0.25 H new ATOM 0 HB VAL A 46 -0.420 -1.158 5.479 1.00 0.36 H new ATOM 0 HG11 VAL A 46 -2.639 -0.013 5.684 1.00 0.90 H new ATOM 0 HG12 VAL A 46 -1.699 0.117 7.189 1.00 0.90 H new ATOM 0 HG13 VAL A 46 -1.801 1.506 6.081 1.00 0.90 H new ATOM 0 HG21 VAL A 46 -1.532 -0.128 3.516 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -0.694 1.405 3.856 1.00 0.31 H new ATOM 0 HG23 VAL A 46 0.241 -0.036 3.391 1.00 0.31 H new ATOM 689 N ASP A 47 0.453 1.234 8.372 1.00 0.25 N ATOM 690 CA ASP A 47 0.331 1.071 9.805 1.00 0.29 C ATOM 691 C ASP A 47 -1.152 1.177 10.135 1.00 0.30 C ATOM 692 O ASP A 47 -1.738 2.261 10.019 1.00 0.36 O ATOM 693 CB ASP A 47 1.208 2.101 10.521 1.00 0.42 C ATOM 694 CG ASP A 47 2.135 1.419 11.502 1.00 1.09 C ATOM 695 OD1 ASP A 47 1.650 1.005 12.576 1.00 2.35 O ATOM 696 OD2 ASP A 47 3.352 1.300 11.222 1.00 1.79 O ATOM 0 H ASP A 47 0.288 2.190 8.056 1.00 0.25 H new ATOM 0 HA ASP A 47 0.690 0.102 10.151 1.00 0.29 H new ATOM 0 HB2 ASP A 47 1.791 2.661 9.790 1.00 0.42 H new ATOM 0 HB3 ASP A 47 0.579 2.820 11.046 1.00 0.42 H new ATOM 701 N ALA A 48 -1.769 0.033 10.444 1.00 0.32 N ATOM 702 CA ALA A 48 -3.215 -0.136 10.508 1.00 0.33 C ATOM 703 C ALA A 48 -3.645 -0.677 11.870 1.00 0.54 C ATOM 704 O ALA A 48 -3.011 -1.599 12.392 1.00 0.90 O ATOM 705 CB ALA A 48 -3.667 -1.087 9.395 1.00 0.41 C ATOM 0 H ALA A 48 -1.258 -0.822 10.662 1.00 0.32 H new ATOM 0 HA ALA A 48 -3.686 0.837 10.370 1.00 0.33 H new ATOM 0 HB1 ALA A 48 -4.749 -1.214 9.442 1.00 0.41 H new ATOM 0 HB2 ALA A 48 -3.392 -0.670 8.426 1.00 0.41 H new ATOM 0 HB3 ALA A 48 -3.182 -2.055 9.524 1.00 0.41 H new ATOM 711 N ASP A 49 -4.755 -0.144 12.397 1.00 0.54 N ATOM 712 CA ASP A 49 -5.349 -0.558 13.669 1.00 0.78 C ATOM 713 C ASP A 49 -6.781 -1.028 13.420 1.00 0.89 C ATOM 714 O ASP A 49 -7.747 -0.559 14.018 1.00 1.05 O ATOM 715 CB ASP A 49 -5.262 0.566 14.712 1.00 0.94 C ATOM 716 CG ASP A 49 -3.850 0.710 15.257 1.00 1.25 C ATOM 717 OD1 ASP A 49 -2.975 1.066 14.440 1.00 2.38 O ATOM 718 OD2 ASP A 49 -3.661 0.451 16.464 1.00 1.88 O ATOM 0 H ASP A 49 -5.275 0.604 11.938 1.00 0.54 H new ATOM 0 HA ASP A 49 -4.788 -1.394 14.086 1.00 0.78 H new ATOM 0 HB2 ASP A 49 -5.577 1.507 14.262 1.00 0.94 H new ATOM 0 HB3 ASP A 49 -5.950 0.358 15.531 1.00 0.94 H new ATOM 723 N ASN A 50 -6.882 -2.025 12.546 1.00 0.79 N ATOM 724 CA ASN A 50 -7.996 -2.950 12.432 1.00 0.63 C ATOM 725 C ASN A 50 -7.370 -4.147 11.738 1.00 0.55 C ATOM 726 O ASN A 50 -6.672 -4.926 12.378 1.00 0.96 O ATOM 727 CB ASN A 50 -9.198 -2.335 11.684 1.00 0.68 C ATOM 728 CG ASN A 50 -10.334 -3.340 11.458 1.00 1.74 C ATOM 729 OD1 ASN A 50 -11.186 -3.496 12.324 1.00 2.33 O ATOM 730 ND2 ASN A 50 -10.405 -4.026 10.312 1.00 2.60 N ATOM 0 H ASN A 50 -6.148 -2.216 11.864 1.00 0.79 H new ATOM 0 HA ASN A 50 -8.440 -3.224 13.389 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -9.578 -1.486 12.252 1.00 0.68 H new ATOM 0 HB3 ASN A 50 -8.863 -1.950 10.721 1.00 0.68 H new ATOM 0 HD21 ASN A 50 -11.171 -4.682 10.157 1.00 2.60 H new ATOM 0 HD22 ASN A 50 -9.694 -3.893 9.593 1.00 2.60 H new ATOM 737 N ASP A 51 -7.500 -4.185 10.413 1.00 0.44 N ATOM 738 CA ASP A 51 -6.862 -5.078 9.477 1.00 0.56 C ATOM 739 C ASP A 51 -7.511 -4.781 8.132 1.00 0.44 C ATOM 740 O ASP A 51 -8.738 -4.679 8.068 1.00 0.82 O ATOM 741 CB ASP A 51 -7.073 -6.554 9.818 1.00 0.85 C ATOM 742 CG ASP A 51 -5.954 -7.387 9.217 1.00 1.34 C ATOM 743 OD1 ASP A 51 -5.314 -6.902 8.258 1.00 2.13 O ATOM 744 OD2 ASP A 51 -5.656 -8.466 9.768 1.00 2.11 O ATOM 0 H ASP A 51 -8.114 -3.526 9.934 1.00 0.44 H new ATOM 0 HA ASP A 51 -5.784 -4.916 9.489 1.00 0.56 H new ATOM 0 HB2 ASP A 51 -7.097 -6.687 10.900 1.00 0.85 H new ATOM 0 HB3 ASP A 51 -8.036 -6.891 9.434 1.00 0.85 H new ATOM 749 N ILE A 52 -6.703 -4.553 7.104 1.00 0.32 N ATOM 750 CA ILE A 52 -7.152 -4.177 5.772 1.00 0.31 C ATOM 751 C ILE A 52 -6.194 -4.682 4.695 1.00 0.36 C ATOM 752 O ILE A 52 -6.310 -4.293 3.548 1.00 0.34 O ATOM 753 CB ILE A 52 -7.282 -2.645 5.682 1.00 0.33 C ATOM 754 CG1 ILE A 52 -6.121 -1.894 6.356 1.00 0.34 C ATOM 755 CG2 ILE A 52 -8.596 -2.136 6.254 1.00 0.36 C ATOM 756 CD1 ILE A 52 -4.909 -1.892 5.443 1.00 0.41 C ATOM 0 H ILE A 52 -5.688 -4.627 7.178 1.00 0.32 H new ATOM 0 HA ILE A 52 -8.124 -4.640 5.599 1.00 0.31 H new ATOM 0 HB ILE A 52 -7.252 -2.435 4.613 1.00 0.33 H new ATOM 0 HG12 ILE A 52 -6.420 -0.870 6.580 1.00 0.34 H new ATOM 0 HG13 ILE A 52 -5.872 -2.368 7.305 1.00 0.34 H new ATOM 0 HG21 ILE A 52 -8.635 -1.050 6.165 1.00 0.36 H new ATOM 0 HG22 ILE A 52 -9.427 -2.575 5.703 1.00 0.36 H new ATOM 0 HG23 ILE A 52 -8.669 -2.417 7.305 1.00 0.36 H new ATOM 0 HD11 ILE A 52 -4.090 -1.359 5.926 1.00 0.41 H new ATOM 0 HD12 ILE A 52 -4.604 -2.919 5.241 1.00 0.41 H new ATOM 0 HD13 ILE A 52 -5.161 -1.397 4.505 1.00 0.41 H new ATOM 768 N ARG A 53 -5.209 -5.508 5.020 1.00 0.55 N ATOM 769 CA ARG A 53 -4.073 -5.761 4.114 1.00 0.41 C ATOM 770 C ARG A 53 -4.568 -6.375 2.824 1.00 0.32 C ATOM 771 O ARG A 53 -4.246 -5.911 1.738 1.00 0.26 O ATOM 772 CB ARG A 53 -2.991 -6.672 4.708 1.00 0.48 C ATOM 773 CG ARG A 53 -3.199 -6.764 6.198 1.00 0.52 C ATOM 774 CD ARG A 53 -2.144 -7.528 6.953 1.00 1.01 C ATOM 775 NE ARG A 53 -2.837 -8.055 8.150 1.00 1.39 N ATOM 776 CZ ARG A 53 -2.371 -8.862 9.108 1.00 2.15 C ATOM 777 NH1 ARG A 53 -1.130 -9.332 9.011 1.00 2.77 N ATOM 778 NH2 ARG A 53 -3.143 -9.194 10.144 1.00 2.57 N ATOM 0 H ARG A 53 -5.164 -6.019 5.902 1.00 0.55 H new ATOM 0 HA ARG A 53 -3.612 -4.789 3.940 1.00 0.41 H new ATOM 0 HB2 ARG A 53 -3.043 -7.663 4.258 1.00 0.48 H new ATOM 0 HB3 ARG A 53 -2.000 -6.274 4.489 1.00 0.48 H new ATOM 0 HG2 ARG A 53 -3.251 -5.753 6.603 1.00 0.52 H new ATOM 0 HG3 ARG A 53 -4.165 -7.232 6.384 1.00 0.52 H new ATOM 0 HD2 ARG A 53 -1.732 -8.336 6.348 1.00 1.01 H new ATOM 0 HD3 ARG A 53 -1.312 -6.882 7.231 1.00 1.01 H new ATOM 0 HE ARG A 53 -3.807 -7.761 8.259 1.00 1.39 H new ATOM 0 HH11 ARG A 53 -0.548 -9.075 8.213 1.00 2.77 H new ATOM 0 HH12 ARG A 53 -0.760 -9.949 9.734 1.00 2.77 H new ATOM 0 HH21 ARG A 53 -4.094 -8.832 10.208 1.00 2.57 H new ATOM 0 HH22 ARG A 53 -2.782 -9.810 10.872 1.00 2.57 H new ATOM 792 N ALA A 54 -5.406 -7.397 2.974 1.00 0.39 N ATOM 793 CA ALA A 54 -6.069 -8.040 1.863 1.00 0.38 C ATOM 794 C ALA A 54 -6.843 -7.004 1.030 1.00 0.36 C ATOM 795 O ALA A 54 -6.892 -7.076 -0.200 1.00 0.47 O ATOM 796 CB ALA A 54 -6.923 -9.173 2.413 1.00 0.44 C ATOM 0 H ALA A 54 -5.640 -7.799 3.881 1.00 0.39 H new ATOM 0 HA ALA A 54 -5.355 -8.481 1.168 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -7.435 -9.675 1.592 1.00 0.44 H new ATOM 0 HB2 ALA A 54 -6.287 -9.888 2.935 1.00 0.44 H new ATOM 0 HB3 ALA A 54 -7.660 -8.769 3.107 1.00 0.44 H new ATOM 802 N GLN A 55 -7.406 -5.995 1.706 1.00 0.32 N ATOM 803 CA GLN A 55 -8.057 -4.864 1.067 1.00 0.31 C ATOM 804 C GLN A 55 -7.041 -4.016 0.307 1.00 0.27 C ATOM 805 O GLN A 55 -7.279 -3.686 -0.848 1.00 0.29 O ATOM 806 CB GLN A 55 -8.889 -4.031 2.045 1.00 0.38 C ATOM 807 CG GLN A 55 -9.818 -4.927 2.874 1.00 1.18 C ATOM 808 CD GLN A 55 -10.708 -4.114 3.802 1.00 1.29 C ATOM 809 OE1 GLN A 55 -11.043 -2.968 3.521 1.00 2.65 O ATOM 810 NE2 GLN A 55 -11.088 -4.694 4.934 1.00 1.10 N ATOM 0 H GLN A 55 -7.418 -5.948 2.725 1.00 0.32 H new ATOM 0 HA GLN A 55 -8.767 -5.265 0.344 1.00 0.31 H new ATOM 0 HB2 GLN A 55 -8.228 -3.474 2.708 1.00 0.38 H new ATOM 0 HB3 GLN A 55 -9.479 -3.299 1.494 1.00 0.38 H new ATOM 0 HG2 GLN A 55 -10.439 -5.524 2.206 1.00 1.18 H new ATOM 0 HG3 GLN A 55 -9.221 -5.624 3.462 1.00 1.18 H new ATOM 0 HE21 GLN A 55 -10.794 -5.648 5.142 1.00 1.10 H new ATOM 0 HE22 GLN A 55 -11.674 -4.185 5.596 1.00 1.10 H new ATOM 819 N VAL A 56 -5.907 -3.680 0.928 1.00 0.24 N ATOM 820 CA VAL A 56 -4.847 -2.926 0.277 1.00 0.26 C ATOM 821 C VAL A 56 -4.431 -3.641 -0.995 1.00 0.27 C ATOM 822 O VAL A 56 -4.375 -3.027 -2.053 1.00 0.28 O ATOM 823 CB VAL A 56 -3.606 -2.756 1.138 1.00 0.32 C ATOM 824 CG1 VAL A 56 -2.512 -1.992 0.378 1.00 0.28 C ATOM 825 CG2 VAL A 56 -3.967 -2.033 2.425 1.00 0.47 C ATOM 0 H VAL A 56 -5.704 -3.926 1.897 1.00 0.24 H new ATOM 0 HA VAL A 56 -5.256 -1.935 0.079 1.00 0.26 H new ATOM 0 HB VAL A 56 -3.215 -3.743 1.384 1.00 0.32 H new ATOM 0 HG11 VAL A 56 -1.634 -1.883 1.015 1.00 0.28 H new ATOM 0 HG12 VAL A 56 -2.241 -2.544 -0.522 1.00 0.28 H new ATOM 0 HG13 VAL A 56 -2.883 -1.005 0.100 1.00 0.28 H new ATOM 0 HG21 VAL A 56 -3.074 -1.914 3.038 1.00 0.47 H new ATOM 0 HG22 VAL A 56 -4.378 -1.052 2.188 1.00 0.47 H new ATOM 0 HG23 VAL A 56 -4.709 -2.614 2.973 1.00 0.47 H new ATOM 835 N GLU A 57 -4.089 -4.925 -0.888 1.00 0.28 N ATOM 836 CA GLU A 57 -3.511 -5.628 -2.010 1.00 0.29 C ATOM 837 C GLU A 57 -4.524 -5.721 -3.145 1.00 0.31 C ATOM 838 O GLU A 57 -4.210 -5.387 -4.289 1.00 0.35 O ATOM 839 CB GLU A 57 -2.860 -6.954 -1.583 1.00 0.39 C ATOM 840 CG GLU A 57 -3.753 -8.014 -0.969 1.00 0.73 C ATOM 841 CD GLU A 57 -2.940 -9.273 -0.670 1.00 1.55 C ATOM 842 OE1 GLU A 57 -2.383 -9.844 -1.639 1.00 2.27 O ATOM 843 OE2 GLU A 57 -2.862 -9.614 0.529 1.00 2.75 O ATOM 0 H GLU A 57 -4.204 -5.485 -0.043 1.00 0.28 H new ATOM 0 HA GLU A 57 -2.674 -5.058 -2.414 1.00 0.29 H new ATOM 0 HB2 GLU A 57 -2.378 -7.388 -2.459 1.00 0.39 H new ATOM 0 HB3 GLU A 57 -2.071 -6.725 -0.867 1.00 0.39 H new ATOM 0 HG2 GLU A 57 -4.203 -7.635 -0.051 1.00 0.73 H new ATOM 0 HG3 GLU A 57 -4.570 -8.252 -1.650 1.00 0.73 H new ATOM 850 N SER A 58 -5.768 -6.070 -2.804 1.00 0.34 N ATOM 851 CA SER A 58 -6.886 -5.957 -3.726 1.00 0.37 C ATOM 852 C SER A 58 -6.945 -4.547 -4.329 1.00 0.35 C ATOM 853 O SER A 58 -7.093 -4.392 -5.538 1.00 0.39 O ATOM 854 CB SER A 58 -8.183 -6.329 -2.997 1.00 0.42 C ATOM 855 OG SER A 58 -9.269 -6.393 -3.901 1.00 0.89 O ATOM 0 H SER A 58 -6.020 -6.436 -1.886 1.00 0.34 H new ATOM 0 HA SER A 58 -6.753 -6.650 -4.556 1.00 0.37 H new ATOM 0 HB2 SER A 58 -8.062 -7.291 -2.499 1.00 0.42 H new ATOM 0 HB3 SER A 58 -8.393 -5.593 -2.221 1.00 0.42 H new ATOM 0 HG SER A 58 -10.085 -6.633 -3.415 1.00 0.89 H new ATOM 861 N ALA A 59 -6.802 -3.506 -3.506 1.00 0.33 N ATOM 862 CA ALA A 59 -6.995 -2.123 -3.930 1.00 0.35 C ATOM 863 C ALA A 59 -5.917 -1.704 -4.927 1.00 0.30 C ATOM 864 O ALA A 59 -6.225 -1.189 -5.996 1.00 0.33 O ATOM 865 CB ALA A 59 -7.028 -1.175 -2.727 1.00 0.38 C ATOM 0 H ALA A 59 -6.548 -3.602 -2.523 1.00 0.33 H new ATOM 0 HA ALA A 59 -7.961 -2.059 -4.430 1.00 0.35 H new ATOM 0 HB1 ALA A 59 -7.173 -0.152 -3.074 1.00 0.38 H new ATOM 0 HB2 ALA A 59 -7.849 -1.454 -2.066 1.00 0.38 H new ATOM 0 HB3 ALA A 59 -6.086 -1.244 -2.184 1.00 0.38 H new ATOM 871 N LEU A 60 -4.650 -1.938 -4.588 1.00 0.23 N ATOM 872 CA LEU A 60 -3.512 -1.699 -5.461 1.00 0.19 C ATOM 873 C LEU A 60 -3.674 -2.490 -6.754 1.00 0.22 C ATOM 874 O LEU A 60 -3.477 -1.954 -7.844 1.00 0.25 O ATOM 875 CB LEU A 60 -2.211 -2.081 -4.740 1.00 0.17 C ATOM 876 CG LEU A 60 -1.508 -0.844 -4.163 1.00 0.22 C ATOM 877 CD1 LEU A 60 -2.353 -0.208 -3.056 1.00 0.31 C ATOM 878 CD2 LEU A 60 -0.133 -1.210 -3.596 1.00 0.39 C ATOM 0 H LEU A 60 -4.385 -2.308 -3.675 1.00 0.23 H new ATOM 0 HA LEU A 60 -3.465 -0.640 -5.713 1.00 0.19 H new ATOM 0 HB2 LEU A 60 -2.431 -2.784 -3.937 1.00 0.17 H new ATOM 0 HB3 LEU A 60 -1.543 -2.590 -5.435 1.00 0.17 H new ATOM 0 HG LEU A 60 -1.381 -0.130 -4.977 1.00 0.22 H new ATOM 0 HD11 LEU A 60 -1.836 0.667 -2.661 1.00 0.31 H new ATOM 0 HD12 LEU A 60 -3.318 0.094 -3.463 1.00 0.31 H new ATOM 0 HD13 LEU A 60 -2.507 -0.931 -2.255 1.00 0.31 H new ATOM 0 HD21 LEU A 60 0.344 -0.316 -3.194 1.00 0.39 H new ATOM 0 HD22 LEU A 60 -0.251 -1.947 -2.802 1.00 0.39 H new ATOM 0 HD23 LEU A 60 0.488 -1.627 -4.389 1.00 0.39 H new ATOM 890 N GLN A 61 -4.042 -3.766 -6.650 1.00 0.25 N ATOM 891 CA GLN A 61 -4.293 -4.584 -7.822 1.00 0.32 C ATOM 892 C GLN A 61 -5.372 -3.938 -8.701 1.00 0.37 C ATOM 893 O GLN A 61 -5.207 -3.839 -9.914 1.00 0.42 O ATOM 894 CB GLN A 61 -4.633 -6.005 -7.369 1.00 0.37 C ATOM 895 CG GLN A 61 -4.881 -6.932 -8.556 1.00 0.56 C ATOM 896 CD GLN A 61 -4.824 -8.394 -8.129 1.00 1.04 C ATOM 897 OE1 GLN A 61 -5.842 -9.071 -8.047 1.00 1.48 O ATOM 898 NE2 GLN A 61 -3.622 -8.892 -7.851 1.00 1.36 N ATOM 0 H GLN A 61 -4.172 -4.251 -5.762 1.00 0.25 H new ATOM 0 HA GLN A 61 -3.404 -4.650 -8.449 1.00 0.32 H new ATOM 0 HB2 GLN A 61 -3.817 -6.399 -6.764 1.00 0.37 H new ATOM 0 HB3 GLN A 61 -5.518 -5.982 -6.734 1.00 0.37 H new ATOM 0 HG2 GLN A 61 -5.855 -6.715 -8.994 1.00 0.56 H new ATOM 0 HG3 GLN A 61 -4.136 -6.746 -9.329 1.00 0.56 H new ATOM 0 HE21 GLN A 61 -2.794 -8.301 -7.929 1.00 1.36 H new ATOM 0 HE22 GLN A 61 -3.528 -9.865 -7.559 1.00 1.36 H new ATOM 907 N LYS A 62 -6.456 -3.469 -8.084 1.00 0.37 N ATOM 908 CA LYS A 62 -7.578 -2.842 -8.770 1.00 0.45 C ATOM 909 C LYS A 62 -7.164 -1.509 -9.407 1.00 0.47 C ATOM 910 O LYS A 62 -7.594 -1.191 -10.512 1.00 0.58 O ATOM 911 CB LYS A 62 -8.741 -2.695 -7.777 1.00 0.57 C ATOM 912 CG LYS A 62 -10.134 -2.708 -8.426 1.00 1.27 C ATOM 913 CD LYS A 62 -11.080 -3.462 -7.476 1.00 1.64 C ATOM 914 CE LYS A 62 -12.533 -3.531 -7.962 1.00 2.65 C ATOM 915 NZ LYS A 62 -13.229 -2.234 -7.843 1.00 3.99 N ATOM 0 H LYS A 62 -6.578 -3.517 -7.072 1.00 0.37 H new ATOM 0 HA LYS A 62 -7.911 -3.470 -9.596 1.00 0.45 H new ATOM 0 HB2 LYS A 62 -8.685 -3.504 -7.048 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -8.618 -1.762 -7.227 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -10.489 -1.691 -8.593 1.00 1.27 H new ATOM 0 HG3 LYS A 62 -10.099 -3.197 -9.400 1.00 1.27 H new ATOM 0 HD2 LYS A 62 -10.706 -4.476 -7.338 1.00 1.64 H new ATOM 0 HD3 LYS A 62 -11.058 -2.979 -6.499 1.00 1.64 H new ATOM 0 HE2 LYS A 62 -12.550 -3.855 -9.003 1.00 2.65 H new ATOM 0 HE3 LYS A 62 -13.071 -4.283 -7.385 1.00 2.65 H new ATOM 0 HZ1 LYS A 62 -14.207 -2.332 -8.184 1.00 3.99 H new ATOM 0 HZ2 LYS A 62 -13.238 -1.935 -6.847 1.00 3.99 H new ATOM 0 HZ3 LYS A 62 -12.733 -1.520 -8.414 1.00 3.99 H new ATOM 929 N ALA A 63 -6.334 -0.731 -8.706 1.00 0.40 N ATOM 930 CA ALA A 63 -5.769 0.518 -9.198 1.00 0.43 C ATOM 931 C ALA A 63 -4.846 0.258 -10.392 1.00 0.42 C ATOM 932 O ALA A 63 -4.850 1.029 -11.349 1.00 0.50 O ATOM 933 CB ALA A 63 -5.026 1.234 -8.065 1.00 0.41 C ATOM 0 H ALA A 63 -6.033 -0.962 -7.759 1.00 0.40 H new ATOM 0 HA ALA A 63 -6.577 1.165 -9.541 1.00 0.43 H new ATOM 0 HB1 ALA A 63 -4.605 2.168 -8.439 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -5.721 1.448 -7.253 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -4.223 0.596 -7.696 1.00 0.41 H new ATOM 939 N GLY A 64 -4.071 -0.828 -10.331 1.00 0.36 N ATOM 940 CA GLY A 64 -3.288 -1.348 -11.444 1.00 0.38 C ATOM 941 C GLY A 64 -1.828 -1.587 -11.065 1.00 0.34 C ATOM 942 O GLY A 64 -0.931 -1.205 -11.813 1.00 0.45 O ATOM 0 H GLY A 64 -3.971 -1.382 -9.480 1.00 0.36 H new ATOM 0 HA2 GLY A 64 -3.729 -2.283 -11.790 1.00 0.38 H new ATOM 0 HA3 GLY A 64 -3.335 -0.646 -12.277 1.00 0.38 H new ATOM 946 N TYR A 65 -1.583 -2.224 -9.916 1.00 0.27 N ATOM 947 CA TYR A 65 -0.257 -2.607 -9.458 1.00 0.26 C ATOM 948 C TYR A 65 -0.162 -4.129 -9.312 1.00 0.35 C ATOM 949 O TYR A 65 -1.126 -4.858 -9.540 1.00 0.70 O ATOM 950 CB TYR A 65 0.011 -1.891 -8.133 1.00 0.27 C ATOM 951 CG TYR A 65 0.209 -0.396 -8.274 1.00 0.28 C ATOM 952 CD1 TYR A 65 1.479 0.112 -8.602 1.00 1.80 C ATOM 953 CD2 TYR A 65 -0.884 0.482 -8.151 1.00 1.64 C ATOM 954 CE1 TYR A 65 1.657 1.491 -8.802 1.00 1.92 C ATOM 955 CE2 TYR A 65 -0.708 1.860 -8.363 1.00 1.57 C ATOM 956 CZ TYR A 65 0.565 2.364 -8.684 1.00 0.56 C ATOM 957 OH TYR A 65 0.757 3.704 -8.836 1.00 0.76 O ATOM 0 H TYR A 65 -2.324 -2.491 -9.268 1.00 0.27 H new ATOM 0 HA TYR A 65 0.501 -2.313 -10.184 1.00 0.26 H new ATOM 0 HB2 TYR A 65 -0.823 -2.075 -7.456 1.00 0.27 H new ATOM 0 HB3 TYR A 65 0.898 -2.323 -7.670 1.00 0.27 H new ATOM 0 HD1 TYR A 65 2.319 -0.560 -8.700 1.00 1.80 H new ATOM 0 HD2 TYR A 65 -1.859 0.096 -7.893 1.00 1.64 H new ATOM 0 HE1 TYR A 65 2.635 1.879 -9.047 1.00 1.92 H new ATOM 0 HE2 TYR A 65 -1.550 2.531 -8.279 1.00 1.57 H new ATOM 0 HH TYR A 65 -0.097 4.171 -8.726 1.00 0.76 H new ATOM 967 N SER A 66 1.016 -4.620 -8.926 1.00 0.31 N ATOM 968 CA SER A 66 1.286 -6.032 -8.712 1.00 0.38 C ATOM 969 C SER A 66 2.113 -6.192 -7.440 1.00 0.39 C ATOM 970 O SER A 66 3.296 -6.525 -7.486 1.00 0.57 O ATOM 971 CB SER A 66 1.971 -6.618 -9.949 1.00 0.52 C ATOM 972 OG SER A 66 1.131 -6.424 -11.073 1.00 1.45 O ATOM 0 H SER A 66 1.827 -4.026 -8.750 1.00 0.31 H new ATOM 0 HA SER A 66 0.360 -6.589 -8.572 1.00 0.38 H new ATOM 0 HB2 SER A 66 2.935 -6.135 -10.111 1.00 0.52 H new ATOM 0 HB3 SER A 66 2.167 -7.680 -9.804 1.00 0.52 H new ATOM 0 HG SER A 66 1.562 -6.795 -11.871 1.00 1.45 H new ATOM 978 N LEU A 67 1.462 -5.957 -6.299 1.00 0.29 N ATOM 979 CA LEU A 67 2.056 -6.204 -4.994 1.00 0.33 C ATOM 980 C LEU A 67 1.960 -7.663 -4.578 1.00 0.34 C ATOM 981 O LEU A 67 1.283 -8.459 -5.234 1.00 0.37 O ATOM 982 CB LEU A 67 1.600 -5.226 -3.921 1.00 0.34 C ATOM 983 CG LEU A 67 0.383 -5.692 -3.125 1.00 0.56 C ATOM 984 CD1 LEU A 67 0.046 -4.549 -2.171 1.00 1.57 C ATOM 985 CD2 LEU A 67 -0.743 -5.865 -4.124 1.00 1.59 C ATOM 0 H LEU A 67 0.511 -5.591 -6.259 1.00 0.29 H new ATOM 0 HA LEU A 67 3.121 -6.001 -5.107 1.00 0.33 H new ATOM 0 HB2 LEU A 67 2.425 -5.050 -3.231 1.00 0.34 H new ATOM 0 HB3 LEU A 67 1.368 -4.270 -4.391 1.00 0.34 H new ATOM 0 HG LEU A 67 0.548 -6.619 -2.577 1.00 0.56 H new ATOM 0 HD11 LEU A 67 -0.821 -4.821 -1.569 1.00 1.57 H new ATOM 0 HD12 LEU A 67 0.897 -4.359 -1.517 1.00 1.57 H new ATOM 0 HD13 LEU A 67 -0.178 -3.650 -2.745 1.00 1.57 H new ATOM 0 HD21 LEU A 67 -1.642 -6.199 -3.605 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -0.941 -4.913 -4.617 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -0.457 -6.607 -4.869 1.00 1.59 H new ATOM 997 N ARG A 68 2.635 -7.991 -3.477 1.00 0.37 N ATOM 998 CA ARG A 68 2.565 -9.261 -2.784 1.00 0.39 C ATOM 999 C ARG A 68 2.873 -8.965 -1.315 1.00 0.32 C ATOM 1000 O ARG A 68 3.677 -8.066 -1.053 1.00 0.30 O ATOM 1001 CB ARG A 68 3.605 -10.212 -3.395 1.00 0.46 C ATOM 1002 CG ARG A 68 3.516 -11.654 -2.884 1.00 0.56 C ATOM 1003 CD ARG A 68 2.648 -12.620 -3.711 1.00 1.22 C ATOM 1004 NE ARG A 68 1.234 -12.205 -3.787 1.00 2.80 N ATOM 1005 CZ ARG A 68 0.716 -11.356 -4.688 1.00 4.47 C ATOM 1006 NH1 ARG A 68 1.431 -10.998 -5.759 1.00 4.75 N ATOM 1007 NH2 ARG A 68 -0.492 -10.813 -4.495 1.00 6.39 N ATOM 0 H ARG A 68 3.277 -7.338 -3.027 1.00 0.37 H new ATOM 0 HA ARG A 68 1.588 -9.737 -2.873 1.00 0.39 H new ATOM 0 HB2 ARG A 68 3.486 -10.215 -4.478 1.00 0.46 H new ATOM 0 HB3 ARG A 68 4.602 -9.825 -3.185 1.00 0.46 H new ATOM 0 HG2 ARG A 68 4.526 -12.061 -2.832 1.00 0.56 H new ATOM 0 HG3 ARG A 68 3.128 -11.632 -1.866 1.00 0.56 H new ATOM 0 HD2 ARG A 68 3.054 -12.691 -4.720 1.00 1.22 H new ATOM 0 HD3 ARG A 68 2.705 -13.616 -3.273 1.00 1.22 H new ATOM 0 HE ARG A 68 0.595 -12.597 -3.095 1.00 2.80 H new ATOM 0 HH11 ARG A 68 2.371 -11.370 -5.892 1.00 4.75 H new ATOM 0 HH12 ARG A 68 1.036 -10.353 -6.443 1.00 4.75 H new ATOM 0 HH21 ARG A 68 -1.027 -11.043 -3.658 1.00 6.39 H new ATOM 0 HH22 ARG A 68 -0.878 -10.169 -5.185 1.00 6.39 H new ATOM 1021 N ASP A 69 2.217 -9.687 -0.392 1.00 0.37 N ATOM 1022 CA ASP A 69 2.519 -9.689 1.040 1.00 0.44 C ATOM 1023 C ASP A 69 4.027 -9.671 1.289 1.00 0.45 C ATOM 1024 O ASP A 69 4.765 -10.433 0.662 1.00 0.74 O ATOM 1025 CB ASP A 69 1.876 -10.906 1.722 1.00 0.76 C ATOM 1026 CG ASP A 69 2.323 -11.009 3.179 1.00 1.70 C ATOM 1027 OD1 ASP A 69 3.394 -11.618 3.417 1.00 2.71 O ATOM 1028 OD2 ASP A 69 1.626 -10.428 4.035 1.00 2.65 O ATOM 0 H ASP A 69 1.440 -10.302 -0.634 1.00 0.37 H new ATOM 0 HA ASP A 69 2.098 -8.782 1.473 1.00 0.44 H new ATOM 0 HB2 ASP A 69 0.790 -10.824 1.675 1.00 0.76 H new ATOM 0 HB3 ASP A 69 2.150 -11.815 1.187 1.00 0.76 H new ATOM 1033 N GLU A 70 4.464 -8.795 2.198 1.00 0.41 N ATOM 1034 CA GLU A 70 5.822 -8.760 2.706 1.00 0.57 C ATOM 1035 C GLU A 70 5.762 -8.903 4.228 1.00 0.70 C ATOM 1036 O GLU A 70 6.399 -8.166 4.983 1.00 0.79 O ATOM 1037 CB GLU A 70 6.431 -7.417 2.286 1.00 0.65 C ATOM 1038 CG GLU A 70 7.689 -7.587 1.446 1.00 0.95 C ATOM 1039 CD GLU A 70 8.346 -6.242 1.158 1.00 1.24 C ATOM 1040 OE1 GLU A 70 7.706 -5.209 1.460 1.00 2.33 O ATOM 1041 OE2 GLU A 70 9.486 -6.278 0.651 1.00 1.64 O ATOM 0 H GLU A 70 3.864 -8.078 2.605 1.00 0.41 H new ATOM 0 HA GLU A 70 6.438 -9.568 2.311 1.00 0.57 H new ATOM 0 HB2 GLU A 70 5.694 -6.848 1.720 1.00 0.65 H new ATOM 0 HB3 GLU A 70 6.668 -6.834 3.176 1.00 0.65 H new ATOM 0 HG2 GLU A 70 8.393 -8.234 1.968 1.00 0.95 H new ATOM 0 HG3 GLU A 70 7.438 -8.081 0.507 1.00 0.95 H new ATOM 1048 N GLN A 71 5.045 -9.929 4.674 1.00 0.85 N ATOM 1049 CA GLN A 71 4.805 -10.215 6.072 1.00 0.95 C ATOM 1050 C GLN A 71 4.174 -9.016 6.801 1.00 0.58 C ATOM 1051 O GLN A 71 3.864 -7.970 6.222 1.00 1.13 O ATOM 1052 CB GLN A 71 6.094 -10.742 6.725 1.00 1.71 C ATOM 1053 CG GLN A 71 6.796 -11.822 5.880 1.00 2.31 C ATOM 1054 CD GLN A 71 6.012 -13.131 5.772 1.00 2.77 C ATOM 1055 OE1 GLN A 71 6.379 -14.112 6.410 1.00 3.76 O ATOM 1056 NE2 GLN A 71 4.950 -13.208 4.970 1.00 2.67 N ATOM 0 H GLN A 71 4.604 -10.602 4.047 1.00 0.85 H new ATOM 0 HA GLN A 71 4.062 -11.008 6.157 1.00 0.95 H new ATOM 0 HB2 GLN A 71 6.780 -9.910 6.885 1.00 1.71 H new ATOM 0 HB3 GLN A 71 5.856 -11.153 7.706 1.00 1.71 H new ATOM 0 HG2 GLN A 71 6.969 -11.430 4.878 1.00 2.31 H new ATOM 0 HG3 GLN A 71 7.774 -12.030 6.314 1.00 2.31 H new ATOM 0 HE21 GLN A 71 4.649 -12.389 4.442 1.00 2.67 H new ATOM 0 HE22 GLN A 71 4.438 -14.086 4.885 1.00 2.67 H new ATOM 1065 N ALA A 72 3.930 -9.198 8.099 1.00 0.78 N ATOM 1066 CA ALA A 72 3.105 -8.310 8.898 1.00 1.18 C ATOM 1067 C ALA A 72 3.905 -7.806 10.089 1.00 1.12 C ATOM 1068 O ALA A 72 3.496 -7.992 11.232 1.00 1.74 O ATOM 1069 CB ALA A 72 1.866 -9.088 9.326 1.00 1.89 C ATOM 0 H ALA A 72 4.310 -9.983 8.628 1.00 0.78 H new ATOM 0 HA ALA A 72 2.793 -7.434 8.329 1.00 1.18 H new ATOM 0 HB1 ALA A 72 1.224 -8.446 9.930 1.00 1.89 H new ATOM 0 HB2 ALA A 72 1.321 -9.419 8.442 1.00 1.89 H new ATOM 0 HB3 ALA A 72 2.166 -9.956 9.913 1.00 1.89 H new ATOM 1075 N ALA A 73 5.062 -7.213 9.781 1.00 0.89 N ATOM 1076 CA ALA A 73 6.187 -7.072 10.691 1.00 1.27 C ATOM 1077 C ALA A 73 6.908 -8.414 10.816 1.00 1.83 C ATOM 1078 O ALA A 73 6.278 -9.471 10.825 1.00 2.85 O ATOM 1079 CB ALA A 73 5.787 -6.486 12.052 1.00 1.68 C ATOM 0 H ALA A 73 5.240 -6.808 8.862 1.00 0.89 H new ATOM 0 HA ALA A 73 6.879 -6.343 10.270 1.00 1.27 H new ATOM 0 HB1 ALA A 73 6.669 -6.405 12.687 1.00 1.68 H new ATOM 0 HB2 ALA A 73 5.351 -5.497 11.909 1.00 1.68 H new ATOM 0 HB3 ALA A 73 5.056 -7.139 12.529 1.00 1.68 H new ATOM 1085 N GLU A 74 8.236 -8.344 10.841 1.00 2.38 N ATOM 1086 CA GLU A 74 9.113 -9.439 11.198 1.00 3.15 C ATOM 1087 C GLU A 74 9.246 -9.447 12.725 1.00 3.79 C ATOM 1088 O GLU A 74 9.640 -10.506 13.259 1.00 5.05 O ATOM 1089 CB GLU A 74 10.468 -9.252 10.489 1.00 4.15 C ATOM 1090 CG GLU A 74 10.927 -7.782 10.416 1.00 5.06 C ATOM 1091 CD GLU A 74 12.346 -7.635 9.882 1.00 6.65 C ATOM 1092 OE1 GLU A 74 12.694 -8.405 8.961 1.00 7.47 O ATOM 1093 OE2 GLU A 74 13.037 -6.719 10.373 1.00 7.45 O ATOM 1094 OXT GLU A 74 8.936 -8.394 13.332 1.00 4.06 O ATOM 0 H GLU A 74 8.742 -7.491 10.604 1.00 2.38 H new ATOM 0 HA GLU A 74 8.715 -10.402 10.879 1.00 3.15 H new ATOM 0 HB2 GLU A 74 11.226 -9.835 11.012 1.00 4.15 H new ATOM 0 HB3 GLU A 74 10.398 -9.653 9.478 1.00 4.15 H new ATOM 0 HG2 GLU A 74 10.243 -7.223 9.777 1.00 5.06 H new ATOM 0 HG3 GLU A 74 10.869 -7.338 11.410 1.00 5.06 H new TER 1101 GLU A 74 HETATM 1102 ZN ZN A 75 4.804 6.578 -12.208 1.00 0.88 ZN