USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 530 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 53 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 54 GLN : amide:sc= -3.5! C(o=-3.5!,f=-2.5!) USER MOD Set 2.1: A 24 THR OG1 : rot 43:sc= 0.219 USER MOD Set 2.2: A 65 ASN : amide:sc= -2.88 K(o=-2.7,f=-11!) USER MOD Set 3.1: A 2 THR OG1 : rot 97:sc= 0.979 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= -1.08 USER MOD Single : A 1 ILE N :NH3+ 136:sc= 0.0222 (180deg=-0.259) USER MOD Single : A 4 TYR OH : rot 102:sc= 0.784 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.11! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -4.56! K(o=-4.6!,f=-0.52) USER MOD Single : A 20 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.54) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -1.13 (180deg=-1.77) USER MOD Single : A 26 THR OG1 : rot 21:sc= 0.566! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= -0.0106 (180deg=-0.172) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -49:sc= 1.2 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -0.268 K(o=-0.27,f=-5.6!) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= -0.202 (180deg=-0.336) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc=-0.00189 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 15.817 4.624 -0.273 1.00 0.29 N ATOM 2 CA ILE A 1 14.484 4.512 -0.917 1.00 0.23 C ATOM 3 C ILE A 1 13.389 5.045 -0.003 1.00 0.20 C ATOM 4 O ILE A 1 13.548 5.083 1.216 1.00 0.27 O ATOM 5 CB ILE A 1 14.162 3.049 -1.281 1.00 0.22 C ATOM 6 CG1 ILE A 1 12.841 2.964 -2.057 1.00 0.20 C ATOM 7 CG2 ILE A 1 14.111 2.191 -0.022 1.00 0.28 C ATOM 8 CD1 ILE A 1 12.409 1.548 -2.375 1.00 0.19 C ATOM 0 H1 ILE A 1 16.351 3.744 -0.425 1.00 0.29 H new ATOM 0 H2 ILE A 1 16.338 5.422 -0.690 1.00 0.29 H new ATOM 0 H3 ILE A 1 15.697 4.785 0.748 1.00 0.29 H new ATOM 0 HA ILE A 1 14.518 5.110 -1.828 1.00 0.23 H new ATOM 0 HB ILE A 1 14.955 2.667 -1.924 1.00 0.22 H new ATOM 0 HG12 ILE A 1 12.058 3.451 -1.477 1.00 0.20 H new ATOM 0 HG13 ILE A 1 12.941 3.521 -2.988 1.00 0.20 H new ATOM 0 HG21 ILE A 1 13.883 1.160 -0.293 1.00 0.28 H new ATOM 0 HG22 ILE A 1 15.076 2.228 0.483 1.00 0.28 H new ATOM 0 HG23 ILE A 1 13.337 2.570 0.646 1.00 0.28 H new ATOM 0 HD11 ILE A 1 11.468 1.569 -2.924 1.00 0.19 H new ATOM 0 HD12 ILE A 1 13.173 1.062 -2.983 1.00 0.19 H new ATOM 0 HD13 ILE A 1 12.275 0.991 -1.447 1.00 0.19 H new ATOM 22 N THR A 2 12.279 5.455 -0.603 1.00 0.18 N ATOM 23 CA THR A 2 11.151 5.983 0.139 1.00 0.17 C ATOM 24 C THR A 2 9.840 5.413 -0.394 1.00 0.20 C ATOM 25 O THR A 2 9.773 4.952 -1.532 1.00 0.27 O ATOM 26 CB THR A 2 11.103 7.514 0.052 1.00 0.19 C ATOM 27 OG1 THR A 2 11.478 7.943 -1.262 1.00 0.26 O ATOM 28 CG2 THR A 2 12.023 8.148 1.084 1.00 0.19 C ATOM 0 H THR A 2 12.139 5.430 -1.613 1.00 0.18 H new ATOM 0 HA THR A 2 11.279 5.688 1.180 1.00 0.17 H new ATOM 0 HB THR A 2 10.082 7.834 0.259 1.00 0.19 H new ATOM 0 HG1 THR A 2 10.672 8.104 -1.796 1.00 0.26 H new ATOM 0 HG21 THR A 2 11.970 9.234 1.001 1.00 0.19 H new ATOM 0 HG22 THR A 2 11.712 7.845 2.084 1.00 0.19 H new ATOM 0 HG23 THR A 2 13.048 7.820 0.908 1.00 0.19 H new ATOM 36 N CYS A 3 8.800 5.441 0.436 1.00 0.16 N ATOM 37 CA CYS A 3 7.489 4.930 0.040 1.00 0.19 C ATOM 38 C CYS A 3 6.379 5.730 0.717 1.00 0.19 C ATOM 39 O CYS A 3 6.619 6.412 1.714 1.00 0.27 O ATOM 40 CB CYS A 3 7.356 3.448 0.408 1.00 0.24 C ATOM 41 SG CYS A 3 8.924 2.518 0.367 1.00 0.41 S ATOM 0 H CYS A 3 8.839 5.811 1.386 1.00 0.16 H new ATOM 0 HA CYS A 3 7.395 5.036 -1.041 1.00 0.19 H new ATOM 0 HB2 CYS A 3 6.928 3.371 1.408 1.00 0.24 H new ATOM 0 HB3 CYS A 3 6.651 2.978 -0.277 1.00 0.24 H new ATOM 46 N TYR A 4 5.162 5.648 0.179 1.00 0.16 N ATOM 47 CA TYR A 4 4.032 6.374 0.747 1.00 0.18 C ATOM 48 C TYR A 4 3.267 5.516 1.741 1.00 0.23 C ATOM 49 O TYR A 4 2.964 4.356 1.472 1.00 0.26 O ATOM 50 CB TYR A 4 3.095 6.838 -0.363 1.00 0.20 C ATOM 51 CG TYR A 4 3.701 7.886 -1.271 1.00 0.20 C ATOM 52 CD1 TYR A 4 4.304 9.026 -0.751 1.00 0.31 C ATOM 53 CD2 TYR A 4 3.664 7.735 -2.651 1.00 0.33 C ATOM 54 CE1 TYR A 4 4.853 9.984 -1.580 1.00 0.36 C ATOM 55 CE2 TYR A 4 4.210 8.693 -3.486 1.00 0.35 C ATOM 56 CZ TYR A 4 4.802 9.814 -2.946 1.00 0.28 C ATOM 57 OH TYR A 4 5.345 10.768 -3.775 1.00 0.35 O ATOM 0 H TYR A 4 4.937 5.089 -0.644 1.00 0.16 H new ATOM 0 HA TYR A 4 4.425 7.242 1.277 1.00 0.18 H new ATOM 0 HB2 TYR A 4 2.801 5.976 -0.962 1.00 0.20 H new ATOM 0 HB3 TYR A 4 2.186 7.240 0.085 1.00 0.20 H new ATOM 0 HD1 TYR A 4 4.344 9.164 0.319 1.00 0.31 H new ATOM 0 HD2 TYR A 4 3.202 6.857 -3.078 1.00 0.33 H new ATOM 0 HE1 TYR A 4 5.320 10.862 -1.160 1.00 0.36 H new ATOM 0 HE2 TYR A 4 4.172 8.563 -4.557 1.00 0.35 H new ATOM 0 HH TYR A 4 6.218 10.462 -4.098 1.00 0.35 H new ATOM 67 N LYS A 5 2.973 6.095 2.901 1.00 0.32 N ATOM 68 CA LYS A 5 2.221 5.390 3.935 1.00 0.40 C ATOM 69 C LYS A 5 0.721 5.490 3.652 1.00 0.49 C ATOM 70 O LYS A 5 0.310 6.219 2.759 1.00 0.86 O ATOM 71 CB LYS A 5 2.542 5.971 5.314 1.00 0.58 C ATOM 72 CG LYS A 5 4.025 5.946 5.659 1.00 0.92 C ATOM 73 CD LYS A 5 4.579 4.528 5.680 1.00 1.68 C ATOM 74 CE LYS A 5 3.976 3.704 6.808 1.00 2.11 C ATOM 75 NZ LYS A 5 4.524 2.320 6.840 1.00 2.69 N ATOM 0 H LYS A 5 3.243 7.047 3.149 1.00 0.32 H new ATOM 0 HA LYS A 5 2.511 4.339 3.926 1.00 0.40 H new ATOM 0 HB2 LYS A 5 2.185 7.000 5.357 1.00 0.58 H new ATOM 0 HB3 LYS A 5 1.992 5.412 6.071 1.00 0.58 H new ATOM 0 HG2 LYS A 5 4.577 6.541 4.931 1.00 0.92 H new ATOM 0 HG3 LYS A 5 4.179 6.410 6.633 1.00 0.92 H new ATOM 0 HD2 LYS A 5 4.374 4.043 4.726 1.00 1.68 H new ATOM 0 HD3 LYS A 5 5.663 4.562 5.794 1.00 1.68 H new ATOM 0 HE2 LYS A 5 4.173 4.195 7.761 1.00 2.11 H new ATOM 0 HE3 LYS A 5 2.893 3.663 6.689 1.00 2.11 H new ATOM 0 HZ1 LYS A 5 4.088 1.792 7.622 1.00 2.69 H new ATOM 0 HZ2 LYS A 5 4.314 1.843 5.940 1.00 2.69 H new ATOM 0 HZ3 LYS A 5 5.554 2.358 6.980 1.00 2.69 H new ATOM 89 N THR A 6 -0.085 4.742 4.401 1.00 0.46 N ATOM 90 CA THR A 6 -1.539 4.757 4.217 1.00 0.50 C ATOM 91 C THR A 6 -2.229 5.977 4.850 1.00 0.60 C ATOM 92 O THR A 6 -3.175 6.508 4.267 1.00 0.64 O ATOM 93 CB THR A 6 -2.193 3.481 4.784 1.00 0.57 C ATOM 94 OG1 THR A 6 -1.901 3.345 6.178 1.00 1.51 O ATOM 95 CG2 THR A 6 -1.708 2.253 4.041 1.00 1.08 C ATOM 0 H THR A 6 0.240 4.118 5.140 1.00 0.46 H new ATOM 0 HA THR A 6 -1.681 4.810 3.138 1.00 0.50 H new ATOM 0 HB THR A 6 -3.271 3.570 4.652 1.00 0.57 H new ATOM 0 HG1 THR A 6 -2.325 2.531 6.523 1.00 1.51 H new ATOM 0 HG21 THR A 6 -2.182 1.365 4.458 1.00 1.08 H new ATOM 0 HG22 THR A 6 -1.966 2.341 2.986 1.00 1.08 H new ATOM 0 HG23 THR A 6 -0.626 2.169 4.144 1.00 1.08 H new ATOM 103 N PRO A 7 -1.788 6.443 6.044 1.00 0.71 N ATOM 104 CA PRO A 7 -2.415 7.584 6.728 1.00 0.85 C ATOM 105 C PRO A 7 -2.788 8.739 5.808 1.00 0.81 C ATOM 106 O PRO A 7 -2.168 8.949 4.770 1.00 0.76 O ATOM 107 CB PRO A 7 -1.347 8.018 7.722 1.00 0.97 C ATOM 108 CG PRO A 7 -0.655 6.754 8.081 1.00 1.03 C ATOM 109 CD PRO A 7 -0.655 5.910 6.832 1.00 0.76 C ATOM 0 HA PRO A 7 -3.366 7.296 7.176 1.00 0.85 H new ATOM 0 HB2 PRO A 7 -0.659 8.738 7.279 1.00 0.97 H new ATOM 0 HB3 PRO A 7 -1.787 8.495 8.598 1.00 0.97 H new ATOM 0 HG2 PRO A 7 0.362 6.949 8.420 1.00 1.03 H new ATOM 0 HG3 PRO A 7 -1.170 6.245 8.896 1.00 1.03 H new ATOM 0 HD2 PRO A 7 0.286 5.999 6.289 1.00 0.76 H new ATOM 0 HD3 PRO A 7 -0.791 4.854 7.063 1.00 0.76 H new ATOM 117 N ILE A 8 -3.808 9.490 6.221 1.00 0.89 N ATOM 118 CA ILE A 8 -4.295 10.637 5.459 1.00 0.90 C ATOM 119 C ILE A 8 -3.144 11.484 4.912 1.00 0.81 C ATOM 120 O ILE A 8 -3.124 11.799 3.721 1.00 0.77 O ATOM 121 CB ILE A 8 -5.229 11.524 6.312 1.00 1.04 C ATOM 122 CG1 ILE A 8 -6.475 10.735 6.722 1.00 1.15 C ATOM 123 CG2 ILE A 8 -5.613 12.784 5.548 1.00 1.08 C ATOM 124 CD1 ILE A 8 -7.376 11.477 7.686 1.00 1.82 C ATOM 0 H ILE A 8 -4.317 9.321 7.089 1.00 0.89 H new ATOM 0 HA ILE A 8 -4.860 10.235 4.618 1.00 0.90 H new ATOM 0 HB ILE A 8 -4.699 11.825 7.215 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -7.045 10.482 5.828 1.00 1.15 H new ATOM 0 HG13 ILE A 8 -6.165 9.795 7.179 1.00 1.15 H new ATOM 0 HG21 ILE A 8 -6.271 13.397 6.164 1.00 1.08 H new ATOM 0 HG22 ILE A 8 -4.714 13.350 5.304 1.00 1.08 H new ATOM 0 HG23 ILE A 8 -6.129 12.509 4.628 1.00 1.08 H new ATOM 0 HD11 ILE A 8 -8.237 10.855 7.931 1.00 1.82 H new ATOM 0 HD12 ILE A 8 -6.824 11.706 8.597 1.00 1.82 H new ATOM 0 HD13 ILE A 8 -7.717 12.404 7.225 1.00 1.82 H new ATOM 136 N PRO A 9 -2.174 11.882 5.764 1.00 0.81 N ATOM 137 CA PRO A 9 -1.023 12.677 5.322 1.00 0.75 C ATOM 138 C PRO A 9 -0.010 11.836 4.561 1.00 0.61 C ATOM 139 O PRO A 9 1.192 11.955 4.790 1.00 0.56 O ATOM 140 CB PRO A 9 -0.413 13.156 6.635 1.00 0.84 C ATOM 141 CG PRO A 9 -0.732 12.063 7.587 1.00 0.89 C ATOM 142 CD PRO A 9 -2.118 11.619 7.218 1.00 0.90 C ATOM 0 HA PRO A 9 -1.312 13.479 4.642 1.00 0.75 H new ATOM 0 HB2 PRO A 9 0.663 13.308 6.545 1.00 0.84 H new ATOM 0 HB3 PRO A 9 -0.844 14.105 6.955 1.00 0.84 H new ATOM 0 HG2 PRO A 9 -0.019 11.243 7.500 1.00 0.89 H new ATOM 0 HG3 PRO A 9 -0.691 12.413 8.618 1.00 0.89 H new ATOM 0 HD2 PRO A 9 -2.278 10.565 7.444 1.00 0.90 H new ATOM 0 HD3 PRO A 9 -2.879 12.180 7.760 1.00 0.90 H new ATOM 150 N ILE A 10 -0.502 10.972 3.673 1.00 0.58 N ATOM 151 CA ILE A 10 0.362 10.111 2.878 1.00 0.46 C ATOM 152 C ILE A 10 1.633 10.838 2.470 1.00 0.36 C ATOM 153 O ILE A 10 1.626 11.692 1.580 1.00 0.40 O ATOM 154 CB ILE A 10 -0.360 9.574 1.623 1.00 0.52 C ATOM 155 CG1 ILE A 10 -1.270 8.409 2.008 1.00 0.68 C ATOM 156 CG2 ILE A 10 0.644 9.135 0.565 1.00 0.54 C ATOM 157 CD1 ILE A 10 -2.679 8.532 1.483 1.00 0.61 C ATOM 0 H ILE A 10 -1.498 10.853 3.489 1.00 0.58 H new ATOM 0 HA ILE A 10 0.627 9.261 3.508 1.00 0.46 H new ATOM 0 HB ILE A 10 -0.966 10.376 1.201 1.00 0.52 H new ATOM 0 HG12 ILE A 10 -0.834 7.482 1.635 1.00 0.68 H new ATOM 0 HG13 ILE A 10 -1.304 8.331 3.095 1.00 0.68 H new ATOM 0 HG21 ILE A 10 0.111 8.761 -0.309 1.00 0.54 H new ATOM 0 HG22 ILE A 10 1.263 9.984 0.276 1.00 0.54 H new ATOM 0 HG23 ILE A 10 1.277 8.345 0.970 1.00 0.54 H new ATOM 0 HD11 ILE A 10 -3.262 7.667 1.799 1.00 0.61 H new ATOM 0 HD12 ILE A 10 -3.136 9.440 1.876 1.00 0.61 H new ATOM 0 HD13 ILE A 10 -2.659 8.578 0.394 1.00 0.61 H new ATOM 169 N THR A 11 2.719 10.499 3.144 1.00 0.30 N ATOM 170 CA THR A 11 4.008 11.103 2.873 1.00 0.27 C ATOM 171 C THR A 11 5.041 10.042 2.536 1.00 0.22 C ATOM 172 O THR A 11 4.804 8.843 2.721 1.00 0.24 O ATOM 173 CB THR A 11 4.511 11.933 4.069 1.00 0.33 C ATOM 174 OG1 THR A 11 4.306 11.211 5.289 1.00 0.38 O ATOM 175 CG2 THR A 11 3.800 13.277 4.140 1.00 0.39 C ATOM 0 H THR A 11 2.730 9.802 3.889 1.00 0.30 H new ATOM 0 HA THR A 11 3.873 11.767 2.019 1.00 0.27 H new ATOM 0 HB THR A 11 5.577 12.115 3.930 1.00 0.33 H new ATOM 0 HG1 THR A 11 4.630 11.745 6.044 1.00 0.38 H new ATOM 0 HG21 THR A 11 4.175 13.842 4.994 1.00 0.39 H new ATOM 0 HG22 THR A 11 3.988 13.837 3.224 1.00 0.39 H new ATOM 0 HG23 THR A 11 2.728 13.116 4.254 1.00 0.39 H new ATOM 183 N SER A 12 6.182 10.495 2.039 1.00 0.21 N ATOM 184 CA SER A 12 7.269 9.602 1.668 1.00 0.20 C ATOM 185 C SER A 12 8.227 9.407 2.840 1.00 0.25 C ATOM 186 O SER A 12 8.636 10.373 3.486 1.00 0.37 O ATOM 187 CB SER A 12 8.015 10.162 0.458 1.00 0.26 C ATOM 188 OG SER A 12 9.409 9.932 0.559 1.00 0.58 O ATOM 0 H SER A 12 6.380 11.483 1.882 1.00 0.21 H new ATOM 0 HA SER A 12 6.849 8.631 1.405 1.00 0.20 H new ATOM 0 HB2 SER A 12 7.633 9.700 -0.453 1.00 0.26 H new ATOM 0 HB3 SER A 12 7.826 11.232 0.376 1.00 0.26 H new ATOM 0 HG SER A 12 9.859 10.300 -0.230 1.00 0.58 H new ATOM 194 N GLU A 13 8.580 8.155 3.109 1.00 0.19 N ATOM 195 CA GLU A 13 9.482 7.838 4.212 1.00 0.26 C ATOM 196 C GLU A 13 10.439 6.716 3.830 1.00 0.19 C ATOM 197 O GLU A 13 10.109 5.856 3.014 1.00 0.16 O ATOM 198 CB GLU A 13 8.684 7.449 5.459 1.00 0.36 C ATOM 199 CG GLU A 13 7.884 8.600 6.049 1.00 1.32 C ATOM 200 CD GLU A 13 7.159 8.214 7.324 1.00 1.92 C ATOM 201 OE1 GLU A 13 7.760 8.342 8.412 1.00 2.36 O ATOM 202 OE2 GLU A 13 5.989 7.786 7.235 1.00 2.55 O ATOM 0 H GLU A 13 8.257 7.345 2.581 1.00 0.19 H new ATOM 0 HA GLU A 13 10.070 8.729 4.433 1.00 0.26 H new ATOM 0 HB2 GLU A 13 8.004 6.636 5.207 1.00 0.36 H new ATOM 0 HB3 GLU A 13 9.370 7.068 6.216 1.00 0.36 H new ATOM 0 HG2 GLU A 13 8.554 9.435 6.255 1.00 1.32 H new ATOM 0 HG3 GLU A 13 7.158 8.947 5.314 1.00 1.32 H new ATOM 209 N THR A 14 11.623 6.726 4.432 1.00 0.23 N ATOM 210 CA THR A 14 12.633 5.716 4.148 1.00 0.20 C ATOM 211 C THR A 14 12.338 4.411 4.880 1.00 0.21 C ATOM 212 O THR A 14 11.750 4.409 5.961 1.00 0.24 O ATOM 213 CB THR A 14 14.037 6.208 4.540 1.00 0.23 C ATOM 214 OG1 THR A 14 14.267 7.515 3.999 1.00 0.29 O ATOM 215 CG2 THR A 14 15.106 5.252 4.034 1.00 0.25 C ATOM 0 H THR A 14 11.906 7.423 5.120 1.00 0.23 H new ATOM 0 HA THR A 14 12.603 5.534 3.074 1.00 0.20 H new ATOM 0 HB THR A 14 14.092 6.249 5.628 1.00 0.23 H new ATOM 0 HG1 THR A 14 15.162 7.822 4.254 1.00 0.29 H new ATOM 0 HG21 THR A 14 16.090 5.621 4.323 1.00 0.25 H new ATOM 0 HG22 THR A 14 14.946 4.265 4.468 1.00 0.25 H new ATOM 0 HG23 THR A 14 15.049 5.184 2.948 1.00 0.25 H new ATOM 223 N CYS A 15 12.756 3.301 4.277 1.00 0.23 N ATOM 224 CA CYS A 15 12.544 1.981 4.858 1.00 0.29 C ATOM 225 C CYS A 15 13.586 1.684 5.928 1.00 0.28 C ATOM 226 O CYS A 15 14.498 2.478 6.162 1.00 0.29 O ATOM 227 CB CYS A 15 12.603 0.912 3.766 1.00 0.35 C ATOM 228 SG CYS A 15 11.486 1.232 2.362 1.00 0.81 S ATOM 0 H CYS A 15 13.246 3.291 3.382 1.00 0.23 H new ATOM 0 HA CYS A 15 11.558 1.968 5.323 1.00 0.29 H new ATOM 0 HB2 CYS A 15 13.626 0.840 3.396 1.00 0.35 H new ATOM 0 HB3 CYS A 15 12.354 -0.055 4.203 1.00 0.35 H new ATOM 233 N ALA A 16 13.442 0.534 6.573 1.00 0.34 N ATOM 234 CA ALA A 16 14.366 0.121 7.619 1.00 0.36 C ATOM 235 C ALA A 16 15.554 -0.627 7.019 1.00 0.32 C ATOM 236 O ALA A 16 15.458 -1.155 5.910 1.00 0.29 O ATOM 237 CB ALA A 16 13.647 -0.749 8.640 1.00 0.39 C ATOM 0 H ALA A 16 12.691 -0.131 6.389 1.00 0.34 H new ATOM 0 HA ALA A 16 14.743 1.011 8.123 1.00 0.36 H new ATOM 0 HB1 ALA A 16 14.348 -1.052 9.418 1.00 0.39 H new ATOM 0 HB2 ALA A 16 12.830 -0.184 9.088 1.00 0.39 H new ATOM 0 HB3 ALA A 16 13.248 -1.635 8.146 1.00 0.39 H new ATOM 243 N PRO A 17 16.693 -0.685 7.736 1.00 0.38 N ATOM 244 CA PRO A 17 17.887 -1.379 7.251 1.00 0.40 C ATOM 245 C PRO A 17 17.587 -2.817 6.848 1.00 0.35 C ATOM 246 O PRO A 17 17.016 -3.585 7.624 1.00 0.36 O ATOM 247 CB PRO A 17 18.853 -1.344 8.444 1.00 0.50 C ATOM 248 CG PRO A 17 18.024 -0.937 9.617 1.00 0.61 C ATOM 249 CD PRO A 17 16.912 -0.093 9.064 1.00 0.47 C ATOM 0 HA PRO A 17 18.293 -0.905 6.357 1.00 0.40 H new ATOM 0 HB2 PRO A 17 19.311 -2.320 8.607 1.00 0.50 H new ATOM 0 HB3 PRO A 17 19.664 -0.636 8.272 1.00 0.50 H new ATOM 0 HG2 PRO A 17 17.630 -1.810 10.138 1.00 0.61 H new ATOM 0 HG3 PRO A 17 18.618 -0.376 10.339 1.00 0.61 H new ATOM 0 HD2 PRO A 17 16.017 -0.144 9.684 1.00 0.47 H new ATOM 0 HD3 PRO A 17 17.194 0.958 8.998 1.00 0.47 H new ATOM 257 N GLY A 18 17.975 -3.172 5.629 1.00 0.36 N ATOM 258 CA GLY A 18 17.731 -4.512 5.132 1.00 0.35 C ATOM 259 C GLY A 18 16.669 -4.538 4.052 1.00 0.32 C ATOM 260 O GLY A 18 16.675 -5.415 3.188 1.00 0.34 O ATOM 0 H GLY A 18 18.455 -2.554 4.975 1.00 0.36 H new ATOM 0 HA2 GLY A 18 18.659 -4.925 4.737 1.00 0.35 H new ATOM 0 HA3 GLY A 18 17.423 -5.153 5.958 1.00 0.35 H new ATOM 264 N GLN A 19 15.755 -3.572 4.100 1.00 0.28 N ATOM 265 CA GLN A 19 14.681 -3.484 3.116 1.00 0.26 C ATOM 266 C GLN A 19 15.036 -2.475 2.031 1.00 0.20 C ATOM 267 O GLN A 19 15.773 -1.521 2.276 1.00 0.41 O ATOM 268 CB GLN A 19 13.366 -3.087 3.794 1.00 0.40 C ATOM 269 CG GLN A 19 13.236 -3.602 5.219 1.00 0.48 C ATOM 270 CD GLN A 19 11.794 -3.785 5.652 1.00 0.59 C ATOM 271 OE1 GLN A 19 11.488 -4.634 6.488 1.00 1.44 O ATOM 272 NE2 GLN A 19 10.895 -2.992 5.078 1.00 0.53 N ATOM 0 H GLN A 19 15.737 -2.840 4.810 1.00 0.28 H new ATOM 0 HA GLN A 19 14.555 -4.464 2.655 1.00 0.26 H new ATOM 0 HB2 GLN A 19 13.284 -2.000 3.800 1.00 0.40 H new ATOM 0 HB3 GLN A 19 12.533 -3.466 3.202 1.00 0.40 H new ATOM 0 HG2 GLN A 19 13.759 -4.554 5.305 1.00 0.48 H new ATOM 0 HG3 GLN A 19 13.728 -2.906 5.898 1.00 0.48 H new ATOM 0 HE21 GLN A 19 11.191 -2.301 4.389 1.00 0.53 H new ATOM 0 HE22 GLN A 19 9.909 -3.075 5.327 1.00 0.53 H new ATOM 281 N ASN A 20 14.508 -2.688 0.828 1.00 0.19 N ATOM 282 CA ASN A 20 14.784 -1.792 -0.289 1.00 0.21 C ATOM 283 C ASN A 20 13.593 -1.710 -1.242 1.00 0.17 C ATOM 284 O ASN A 20 13.711 -1.186 -2.349 1.00 0.21 O ATOM 285 CB ASN A 20 16.030 -2.263 -1.044 1.00 0.36 C ATOM 286 CG ASN A 20 16.550 -1.225 -2.021 1.00 1.26 C ATOM 287 OD1 ASN A 20 17.308 -0.329 -1.646 1.00 2.05 O ATOM 288 ND2 ASN A 20 16.153 -1.344 -3.282 1.00 2.02 N ATOM 0 H ASN A 20 13.891 -3.468 0.604 1.00 0.19 H new ATOM 0 HA ASN A 20 14.962 -0.795 0.114 1.00 0.21 H new ATOM 0 HB2 ASN A 20 16.814 -2.506 -0.327 1.00 0.36 H new ATOM 0 HB3 ASN A 20 15.797 -3.180 -1.585 1.00 0.36 H new ATOM 0 HD21 ASN A 20 16.477 -0.678 -3.984 1.00 2.02 H new ATOM 0 HD22 ASN A 20 15.524 -2.101 -3.549 1.00 2.02 H new ATOM 295 N LEU A 21 12.446 -2.228 -0.811 1.00 0.18 N ATOM 296 CA LEU A 21 11.249 -2.201 -1.642 1.00 0.18 C ATOM 297 C LEU A 21 10.053 -1.633 -0.896 1.00 0.21 C ATOM 298 O LEU A 21 10.059 -1.504 0.329 1.00 0.39 O ATOM 299 CB LEU A 21 10.901 -3.606 -2.129 1.00 0.21 C ATOM 300 CG LEU A 21 11.790 -4.155 -3.238 1.00 0.70 C ATOM 301 CD1 LEU A 21 11.550 -5.645 -3.404 1.00 1.20 C ATOM 302 CD2 LEU A 21 11.523 -3.423 -4.544 1.00 1.31 C ATOM 0 H LEU A 21 12.322 -2.668 0.101 1.00 0.18 H new ATOM 0 HA LEU A 21 11.470 -1.555 -2.491 1.00 0.18 H new ATOM 0 HB2 LEU A 21 10.947 -4.288 -1.280 1.00 0.21 H new ATOM 0 HB3 LEU A 21 9.870 -3.604 -2.481 1.00 0.21 H new ATOM 0 HG LEU A 21 12.833 -3.996 -2.965 1.00 0.70 H new ATOM 0 HD11 LEU A 21 12.189 -6.030 -4.199 1.00 1.20 H new ATOM 0 HD12 LEU A 21 11.783 -6.157 -2.471 1.00 1.20 H new ATOM 0 HD13 LEU A 21 10.505 -5.819 -3.662 1.00 1.20 H new ATOM 0 HD21 LEU A 21 12.166 -3.827 -5.326 1.00 1.31 H new ATOM 0 HD22 LEU A 21 10.479 -3.555 -4.828 1.00 1.31 H new ATOM 0 HD23 LEU A 21 11.732 -2.361 -4.415 1.00 1.31 H new ATOM 314 N CYS A 22 9.032 -1.294 -1.664 1.00 0.20 N ATOM 315 CA CYS A 22 7.787 -0.769 -1.130 1.00 0.21 C ATOM 316 C CYS A 22 6.652 -1.671 -1.592 1.00 0.20 C ATOM 317 O CYS A 22 6.697 -2.196 -2.705 1.00 0.31 O ATOM 318 CB CYS A 22 7.547 0.664 -1.613 1.00 0.24 C ATOM 319 SG CYS A 22 9.007 1.750 -1.511 1.00 0.35 S ATOM 0 H CYS A 22 9.043 -1.376 -2.681 1.00 0.20 H new ATOM 0 HA CYS A 22 7.837 -0.749 -0.041 1.00 0.21 H new ATOM 0 HB2 CYS A 22 7.205 0.633 -2.647 1.00 0.24 H new ATOM 0 HB3 CYS A 22 6.742 1.103 -1.024 1.00 0.24 H new ATOM 324 N TYR A 23 5.638 -1.860 -0.758 1.00 0.21 N ATOM 325 CA TYR A 23 4.534 -2.726 -1.134 1.00 0.20 C ATOM 326 C TYR A 23 3.196 -2.036 -0.984 1.00 0.19 C ATOM 327 O TYR A 23 2.980 -1.234 -0.073 1.00 0.20 O ATOM 328 CB TYR A 23 4.546 -4.025 -0.324 1.00 0.22 C ATOM 329 CG TYR A 23 4.221 -3.858 1.147 1.00 0.21 C ATOM 330 CD1 TYR A 23 2.904 -3.734 1.587 1.00 0.22 C ATOM 331 CD2 TYR A 23 5.232 -3.834 2.097 1.00 0.22 C ATOM 332 CE1 TYR A 23 2.610 -3.590 2.927 1.00 0.23 C ATOM 333 CE2 TYR A 23 4.946 -3.691 3.441 1.00 0.23 C ATOM 334 CZ TYR A 23 3.635 -3.569 3.851 1.00 0.23 C ATOM 335 OH TYR A 23 3.346 -3.426 5.189 1.00 0.25 O ATOM 0 H TYR A 23 5.558 -1.434 0.165 1.00 0.21 H new ATOM 0 HA TYR A 23 4.672 -2.968 -2.188 1.00 0.20 H new ATOM 0 HB2 TYR A 23 3.829 -4.718 -0.764 1.00 0.22 H new ATOM 0 HB3 TYR A 23 5.530 -4.485 -0.415 1.00 0.22 H new ATOM 0 HD1 TYR A 23 2.100 -3.751 0.866 1.00 0.22 H new ATOM 0 HD2 TYR A 23 6.260 -3.929 1.780 1.00 0.22 H new ATOM 0 HE1 TYR A 23 1.584 -3.494 3.251 1.00 0.23 H new ATOM 0 HE2 TYR A 23 5.745 -3.675 4.167 1.00 0.23 H new ATOM 0 HH TYR A 23 4.179 -3.432 5.706 1.00 0.25 H new ATOM 345 N THR A 24 2.309 -2.363 -1.903 1.00 0.18 N ATOM 346 CA THR A 24 0.962 -1.823 -1.907 1.00 0.18 C ATOM 347 C THR A 24 -0.048 -2.957 -1.801 1.00 0.16 C ATOM 348 O THR A 24 -0.241 -3.721 -2.746 1.00 0.18 O ATOM 349 CB THR A 24 0.681 -1.001 -3.179 1.00 0.22 C ATOM 350 OG1 THR A 24 1.570 0.119 -3.246 1.00 0.26 O ATOM 351 CG2 THR A 24 -0.760 -0.512 -3.209 1.00 0.25 C ATOM 0 H THR A 24 2.501 -3.010 -2.668 1.00 0.18 H new ATOM 0 HA THR A 24 0.868 -1.158 -1.048 1.00 0.18 H new ATOM 0 HB THR A 24 0.844 -1.648 -4.041 1.00 0.22 H new ATOM 0 HG1 THR A 24 2.474 -0.165 -2.994 1.00 0.26 H new ATOM 0 HG21 THR A 24 -0.930 0.065 -4.118 1.00 0.25 H new ATOM 0 HG22 THR A 24 -1.435 -1.368 -3.191 1.00 0.25 H new ATOM 0 HG23 THR A 24 -0.949 0.117 -2.339 1.00 0.25 H new ATOM 359 N LYS A 25 -0.687 -3.055 -0.645 1.00 0.16 N ATOM 360 CA LYS A 25 -1.662 -4.102 -0.393 1.00 0.17 C ATOM 361 C LYS A 25 -3.068 -3.614 -0.699 1.00 0.16 C ATOM 362 O LYS A 25 -3.591 -2.748 -0.009 1.00 0.19 O ATOM 363 CB LYS A 25 -1.583 -4.520 1.075 1.00 0.23 C ATOM 364 CG LYS A 25 -2.059 -5.932 1.347 1.00 0.35 C ATOM 365 CD LYS A 25 -0.891 -6.896 1.395 1.00 0.60 C ATOM 366 CE LYS A 25 -1.299 -8.247 1.958 1.00 0.69 C ATOM 367 NZ LYS A 25 -0.137 -9.168 2.087 1.00 0.75 N ATOM 0 H LYS A 25 -0.545 -2.417 0.138 1.00 0.16 H new ATOM 0 HA LYS A 25 -1.438 -4.950 -1.040 1.00 0.17 H new ATOM 0 HB2 LYS A 25 -0.551 -4.426 1.413 1.00 0.23 H new ATOM 0 HB3 LYS A 25 -2.178 -3.827 1.670 1.00 0.23 H new ATOM 0 HG2 LYS A 25 -2.600 -5.962 2.293 1.00 0.35 H new ATOM 0 HG3 LYS A 25 -2.759 -6.240 0.570 1.00 0.35 H new ATOM 0 HD2 LYS A 25 -0.486 -7.027 0.391 1.00 0.60 H new ATOM 0 HD3 LYS A 25 -0.095 -6.472 2.007 1.00 0.60 H new ATOM 0 HE2 LYS A 25 -1.763 -8.108 2.935 1.00 0.69 H new ATOM 0 HE3 LYS A 25 -2.050 -8.699 1.310 1.00 0.69 H new ATOM 0 HZ1 LYS A 25 -0.478 -10.145 2.193 1.00 0.75 H new ATOM 0 HZ2 LYS A 25 0.457 -9.099 1.236 1.00 0.75 H new ATOM 0 HZ3 LYS A 25 0.424 -8.905 2.922 1.00 0.75 H new ATOM 381 N THR A 26 -3.681 -4.181 -1.728 1.00 0.18 N ATOM 382 CA THR A 26 -5.033 -3.800 -2.102 1.00 0.21 C ATOM 383 C THR A 26 -6.004 -4.908 -1.737 1.00 0.24 C ATOM 384 O THR A 26 -5.843 -6.053 -2.159 1.00 0.28 O ATOM 385 CB THR A 26 -5.149 -3.491 -3.603 1.00 0.26 C ATOM 386 OG1 THR A 26 -5.104 -4.705 -4.363 1.00 0.35 O ATOM 387 CG2 THR A 26 -4.027 -2.567 -4.055 1.00 0.31 C ATOM 0 H THR A 26 -3.265 -4.903 -2.316 1.00 0.18 H new ATOM 0 HA THR A 26 -5.280 -2.892 -1.552 1.00 0.21 H new ATOM 0 HB THR A 26 -6.103 -2.992 -3.772 1.00 0.26 H new ATOM 0 HG1 THR A 26 -5.346 -5.460 -3.787 1.00 0.35 H new ATOM 0 HG21 THR A 26 -4.131 -2.363 -5.121 1.00 0.31 H new ATOM 0 HG22 THR A 26 -4.081 -1.631 -3.499 1.00 0.31 H new ATOM 0 HG23 THR A 26 -3.065 -3.045 -3.869 1.00 0.31 H new ATOM 395 N TRP A 27 -7.015 -4.567 -0.950 1.00 0.25 N ATOM 396 CA TRP A 27 -7.993 -5.555 -0.512 1.00 0.31 C ATOM 397 C TRP A 27 -9.337 -4.919 -0.177 1.00 0.37 C ATOM 398 O TRP A 27 -9.486 -3.693 -0.136 1.00 0.38 O ATOM 399 CB TRP A 27 -7.466 -6.315 0.712 1.00 0.32 C ATOM 400 CG TRP A 27 -6.849 -5.410 1.737 1.00 0.30 C ATOM 401 CD1 TRP A 27 -7.158 -4.104 1.936 1.00 0.31 C ATOM 402 CD2 TRP A 27 -5.833 -5.726 2.700 1.00 0.32 C ATOM 403 NE1 TRP A 27 -6.397 -3.578 2.935 1.00 0.32 N ATOM 404 CE2 TRP A 27 -5.582 -4.549 3.431 1.00 0.32 C ATOM 405 CE3 TRP A 27 -5.110 -6.877 3.020 1.00 0.35 C ATOM 406 CZ2 TRP A 27 -4.647 -4.487 4.453 1.00 0.36 C ATOM 407 CZ3 TRP A 27 -4.179 -6.809 4.041 1.00 0.39 C ATOM 408 CH2 TRP A 27 -3.956 -5.623 4.745 1.00 0.39 C ATOM 0 H TRP A 27 -7.180 -3.622 -0.604 1.00 0.25 H new ATOM 0 HA TRP A 27 -8.146 -6.247 -1.340 1.00 0.31 H new ATOM 0 HB2 TRP A 27 -8.285 -6.870 1.170 1.00 0.32 H new ATOM 0 HB3 TRP A 27 -6.726 -7.047 0.388 1.00 0.32 H new ATOM 0 HD1 TRP A 27 -7.904 -3.557 1.379 1.00 0.31 H new ATOM 0 HE1 TRP A 27 -6.432 -2.612 3.260 1.00 0.32 H new ATOM 0 HE3 TRP A 27 -5.274 -7.799 2.483 1.00 0.35 H new ATOM 0 HZ2 TRP A 27 -4.473 -3.571 4.998 1.00 0.36 H new ATOM 0 HZ3 TRP A 27 -3.613 -7.691 4.299 1.00 0.39 H new ATOM 0 HH2 TRP A 27 -3.221 -5.607 5.536 1.00 0.39 H new ATOM 419 N CYS A 28 -10.304 -5.787 0.069 1.00 0.45 N ATOM 420 CA CYS A 28 -11.661 -5.379 0.408 1.00 0.54 C ATOM 421 C CYS A 28 -12.426 -6.551 1.019 1.00 0.62 C ATOM 422 O CYS A 28 -12.665 -7.556 0.348 1.00 0.64 O ATOM 423 CB CYS A 28 -12.382 -4.883 -0.846 1.00 0.59 C ATOM 424 SG CYS A 28 -13.266 -3.305 -0.631 1.00 1.31 S ATOM 0 H CYS A 28 -10.172 -6.798 0.040 1.00 0.45 H new ATOM 0 HA CYS A 28 -11.615 -4.571 1.138 1.00 0.54 H new ATOM 0 HB2 CYS A 28 -11.653 -4.771 -1.649 1.00 0.59 H new ATOM 0 HB3 CYS A 28 -13.094 -5.644 -1.166 1.00 0.59 H new ATOM 429 N ASP A 29 -12.809 -6.429 2.287 1.00 0.69 N ATOM 430 CA ASP A 29 -13.542 -7.499 2.959 1.00 0.78 C ATOM 431 C ASP A 29 -14.472 -6.952 4.039 1.00 0.90 C ATOM 432 O ASP A 29 -15.569 -6.474 3.747 1.00 0.97 O ATOM 433 CB ASP A 29 -12.565 -8.500 3.580 1.00 0.78 C ATOM 434 CG ASP A 29 -13.254 -9.762 4.062 1.00 1.36 C ATOM 435 OD1 ASP A 29 -13.395 -10.706 3.257 1.00 1.48 O ATOM 436 OD2 ASP A 29 -13.653 -9.805 5.245 1.00 2.22 O ATOM 0 H ASP A 29 -12.627 -5.609 2.865 1.00 0.69 H new ATOM 0 HA ASP A 29 -14.152 -8.001 2.208 1.00 0.78 H new ATOM 0 HB2 ASP A 29 -11.804 -8.763 2.845 1.00 0.78 H new ATOM 0 HB3 ASP A 29 -12.050 -8.029 4.417 1.00 0.78 H new ATOM 441 N ALA A 30 -14.022 -7.033 5.286 1.00 0.94 N ATOM 442 CA ALA A 30 -14.803 -6.559 6.424 1.00 1.07 C ATOM 443 C ALA A 30 -15.038 -5.058 6.347 1.00 1.06 C ATOM 444 O ALA A 30 -16.175 -4.590 6.393 1.00 1.16 O ATOM 445 CB ALA A 30 -14.093 -6.906 7.721 1.00 1.13 C ATOM 0 H ALA A 30 -13.114 -7.425 5.536 1.00 0.94 H new ATOM 0 HA ALA A 30 -15.773 -7.055 6.397 1.00 1.07 H new ATOM 0 HB1 ALA A 30 -14.683 -6.549 8.565 1.00 1.13 H new ATOM 0 HB2 ALA A 30 -13.974 -7.987 7.793 1.00 1.13 H new ATOM 0 HB3 ALA A 30 -13.112 -6.431 7.737 1.00 1.13 H new ATOM 451 N TRP A 31 -13.948 -4.312 6.231 1.00 0.98 N ATOM 452 CA TRP A 31 -14.013 -2.859 6.157 1.00 0.99 C ATOM 453 C TRP A 31 -14.526 -2.409 4.794 1.00 0.98 C ATOM 454 O TRP A 31 -14.694 -1.214 4.546 1.00 1.04 O ATOM 455 CB TRP A 31 -12.633 -2.251 6.418 1.00 0.94 C ATOM 456 CG TRP A 31 -11.681 -3.188 7.099 1.00 0.91 C ATOM 457 CD1 TRP A 31 -11.450 -3.294 8.441 1.00 0.98 C ATOM 458 CD2 TRP A 31 -10.832 -4.156 6.470 1.00 0.86 C ATOM 459 NE1 TRP A 31 -10.507 -4.260 8.683 1.00 0.98 N ATOM 460 CE2 TRP A 31 -10.112 -4.805 7.490 1.00 0.91 C ATOM 461 CE3 TRP A 31 -10.612 -4.536 5.143 1.00 0.81 C ATOM 462 CZ2 TRP A 31 -9.186 -5.812 7.223 1.00 0.92 C ATOM 463 CZ3 TRP A 31 -9.694 -5.535 4.879 1.00 0.81 C ATOM 464 CH2 TRP A 31 -8.991 -6.163 5.915 1.00 0.87 C ATOM 0 H TRP A 31 -13.003 -4.692 6.186 1.00 0.98 H new ATOM 0 HA TRP A 31 -14.707 -2.512 6.923 1.00 0.99 H new ATOM 0 HB2 TRP A 31 -12.200 -1.933 5.469 1.00 0.94 H new ATOM 0 HB3 TRP A 31 -12.750 -1.357 7.030 1.00 0.94 H new ATOM 0 HD1 TRP A 31 -11.939 -2.703 9.201 1.00 0.98 H new ATOM 0 HE1 TRP A 31 -10.157 -4.529 9.602 1.00 0.98 H new ATOM 0 HE3 TRP A 31 -11.150 -4.057 4.338 1.00 0.81 H new ATOM 0 HZ2 TRP A 31 -8.642 -6.298 8.020 1.00 0.92 H new ATOM 0 HZ3 TRP A 31 -9.516 -5.836 3.857 1.00 0.81 H new ATOM 0 HH2 TRP A 31 -8.280 -6.940 5.676 1.00 0.87 H new ATOM 475 N CYS A 32 -14.771 -3.373 3.913 1.00 0.94 N ATOM 476 CA CYS A 32 -15.260 -3.076 2.573 1.00 0.97 C ATOM 477 C CYS A 32 -16.745 -2.733 2.599 1.00 1.10 C ATOM 478 O CYS A 32 -17.186 -1.791 1.940 1.00 1.47 O ATOM 479 CB CYS A 32 -15.014 -4.265 1.645 1.00 0.95 C ATOM 480 SG CYS A 32 -15.150 -3.866 -0.127 1.00 0.97 S ATOM 0 H CYS A 32 -14.639 -4.366 4.103 1.00 0.94 H new ATOM 0 HA CYS A 32 -14.714 -2.211 2.196 1.00 0.97 H new ATOM 0 HB2 CYS A 32 -14.019 -4.665 1.841 1.00 0.95 H new ATOM 0 HB3 CYS A 32 -15.728 -5.053 1.885 1.00 0.95 H new ATOM 485 N GLY A 33 -17.511 -3.504 3.365 1.00 1.28 N ATOM 486 CA GLY A 33 -18.939 -3.265 3.464 1.00 1.47 C ATOM 487 C GLY A 33 -19.283 -2.257 4.544 1.00 2.07 C ATOM 488 O GLY A 33 -20.389 -2.270 5.084 1.00 2.53 O ATOM 0 H GLY A 33 -17.168 -4.289 3.918 1.00 1.28 H new ATOM 0 HA2 GLY A 33 -19.312 -2.907 2.504 1.00 1.47 H new ATOM 0 HA3 GLY A 33 -19.448 -4.206 3.673 1.00 1.47 H new ATOM 492 N SER A 34 -18.332 -1.383 4.857 1.00 2.44 N ATOM 493 CA SER A 34 -18.536 -0.361 5.877 1.00 3.45 C ATOM 494 C SER A 34 -18.138 1.016 5.355 1.00 3.56 C ATOM 495 O SER A 34 -18.939 1.950 5.369 1.00 4.28 O ATOM 496 CB SER A 34 -17.731 -0.697 7.134 1.00 4.13 C ATOM 497 OG SER A 34 -18.122 -1.949 7.671 1.00 4.69 O ATOM 0 H SER A 34 -17.411 -1.362 4.418 1.00 2.44 H new ATOM 0 HA SER A 34 -19.596 -0.341 6.129 1.00 3.45 H new ATOM 0 HB2 SER A 34 -16.668 -0.717 6.894 1.00 4.13 H new ATOM 0 HB3 SER A 34 -17.875 0.084 7.881 1.00 4.13 H new ATOM 0 HG SER A 34 -17.592 -2.141 8.472 1.00 4.69 H new ATOM 503 N ARG A 35 -16.896 1.132 4.894 1.00 3.00 N ATOM 504 CA ARG A 35 -16.392 2.395 4.365 1.00 3.12 C ATOM 505 C ARG A 35 -16.278 2.344 2.849 1.00 2.03 C ATOM 506 O ARG A 35 -17.035 2.998 2.131 1.00 2.11 O ATOM 507 CB ARG A 35 -15.031 2.726 4.985 1.00 3.95 C ATOM 508 CG ARG A 35 -15.068 2.856 6.500 1.00 4.47 C ATOM 509 CD ARG A 35 -13.698 3.189 7.064 1.00 5.52 C ATOM 510 NE ARG A 35 -13.709 3.264 8.522 1.00 6.05 N ATOM 511 CZ ARG A 35 -12.711 3.761 9.244 1.00 7.03 C ATOM 512 NH1 ARG A 35 -11.623 4.231 8.647 1.00 7.53 N ATOM 513 NH2 ARG A 35 -12.800 3.790 10.567 1.00 7.71 N ATOM 0 H ARG A 35 -16.221 0.368 4.876 1.00 3.00 H new ATOM 0 HA ARG A 35 -17.102 3.179 4.628 1.00 3.12 H new ATOM 0 HB2 ARG A 35 -14.318 1.948 4.713 1.00 3.95 H new ATOM 0 HB3 ARG A 35 -14.663 3.659 4.557 1.00 3.95 H new ATOM 0 HG2 ARG A 35 -15.778 3.634 6.782 1.00 4.47 H new ATOM 0 HG3 ARG A 35 -15.426 1.924 6.938 1.00 4.47 H new ATOM 0 HD2 ARG A 35 -12.981 2.432 6.746 1.00 5.52 H new ATOM 0 HD3 ARG A 35 -13.359 4.141 6.655 1.00 5.52 H new ATOM 0 HE ARG A 35 -14.531 2.914 9.015 1.00 6.05 H new ATOM 0 HH11 ARG A 35 -11.551 4.212 7.630 1.00 7.53 H new ATOM 0 HH12 ARG A 35 -10.859 4.612 9.205 1.00 7.53 H new ATOM 0 HH21 ARG A 35 -13.635 3.431 11.030 1.00 7.71 H new ATOM 0 HH22 ARG A 35 -12.034 4.172 11.121 1.00 7.71 H new ATOM 527 N GLY A 36 -15.327 1.560 2.379 1.00 1.30 N ATOM 528 CA GLY A 36 -15.106 1.417 0.951 1.00 1.09 C ATOM 529 C GLY A 36 -14.000 0.429 0.639 1.00 0.99 C ATOM 530 O GLY A 36 -14.190 -0.780 0.753 1.00 1.47 O ATOM 0 H GLY A 36 -14.695 1.013 2.963 1.00 1.30 H new ATOM 0 HA2 GLY A 36 -16.029 1.089 0.473 1.00 1.09 H new ATOM 0 HA3 GLY A 36 -14.854 2.388 0.525 1.00 1.09 H new ATOM 534 N LYS A 37 -12.844 0.944 0.235 1.00 0.68 N ATOM 535 CA LYS A 37 -11.707 0.117 -0.088 1.00 0.57 C ATOM 536 C LYS A 37 -10.563 0.359 0.892 1.00 0.52 C ATOM 537 O LYS A 37 -10.342 1.488 1.330 1.00 0.60 O ATOM 538 CB LYS A 37 -11.248 0.407 -1.513 1.00 0.62 C ATOM 539 CG LYS A 37 -12.281 0.049 -2.569 1.00 0.84 C ATOM 540 CD LYS A 37 -11.739 0.262 -3.973 1.00 1.27 C ATOM 541 CE LYS A 37 -12.812 0.027 -5.025 1.00 1.92 C ATOM 542 NZ LYS A 37 -13.398 -1.338 -4.928 1.00 2.59 N ATOM 0 H LYS A 37 -12.678 1.944 0.125 1.00 0.68 H new ATOM 0 HA LYS A 37 -12.005 -0.929 -0.011 1.00 0.57 H new ATOM 0 HB2 LYS A 37 -11.004 1.466 -1.599 1.00 0.62 H new ATOM 0 HB3 LYS A 37 -10.331 -0.148 -1.711 1.00 0.62 H new ATOM 0 HG2 LYS A 37 -12.581 -0.992 -2.448 1.00 0.84 H new ATOM 0 HG3 LYS A 37 -13.174 0.657 -2.427 1.00 0.84 H new ATOM 0 HD2 LYS A 37 -11.353 1.277 -4.065 1.00 1.27 H new ATOM 0 HD3 LYS A 37 -10.902 -0.414 -4.148 1.00 1.27 H new ATOM 0 HE2 LYS A 37 -13.602 0.770 -4.910 1.00 1.92 H new ATOM 0 HE3 LYS A 37 -12.384 0.168 -6.017 1.00 1.92 H new ATOM 0 HZ1 LYS A 37 -13.997 -1.518 -5.759 1.00 2.59 H new ATOM 0 HZ2 LYS A 37 -12.634 -2.042 -4.893 1.00 2.59 H new ATOM 0 HZ3 LYS A 37 -13.973 -1.408 -4.064 1.00 2.59 H new ATOM 556 N VAL A 38 -9.837 -0.702 1.233 1.00 0.44 N ATOM 557 CA VAL A 38 -8.717 -0.589 2.161 1.00 0.42 C ATOM 558 C VAL A 38 -7.418 -0.949 1.462 1.00 0.33 C ATOM 559 O VAL A 38 -7.414 -1.730 0.514 1.00 0.29 O ATOM 560 CB VAL A 38 -8.911 -1.496 3.395 1.00 0.50 C ATOM 561 CG1 VAL A 38 -7.802 -1.290 4.422 1.00 1.00 C ATOM 562 CG2 VAL A 38 -10.264 -1.229 4.021 1.00 1.21 C ATOM 0 H VAL A 38 -10.003 -1.645 0.882 1.00 0.44 H new ATOM 0 HA VAL A 38 -8.674 0.445 2.502 1.00 0.42 H new ATOM 0 HB VAL A 38 -8.864 -2.533 3.064 1.00 0.50 H new ATOM 0 HG11 VAL A 38 -7.971 -1.945 5.277 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -6.839 -1.526 3.970 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -7.802 -0.252 4.754 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -10.395 -1.872 4.891 1.00 1.21 H new ATOM 0 HG22 VAL A 38 -10.323 -0.185 4.329 1.00 1.21 H new ATOM 0 HG23 VAL A 38 -11.049 -1.438 3.294 1.00 1.21 H new ATOM 572 N ILE A 39 -6.320 -0.353 1.912 1.00 0.33 N ATOM 573 CA ILE A 39 -5.016 -0.622 1.325 1.00 0.28 C ATOM 574 C ILE A 39 -3.895 -0.443 2.352 1.00 0.33 C ATOM 575 O ILE A 39 -3.878 0.536 3.095 1.00 0.55 O ATOM 576 CB ILE A 39 -4.759 0.278 0.094 1.00 0.32 C ATOM 577 CG1 ILE A 39 -5.636 -0.169 -1.081 1.00 0.31 C ATOM 578 CG2 ILE A 39 -3.291 0.251 -0.298 1.00 0.36 C ATOM 579 CD1 ILE A 39 -5.557 0.744 -2.286 1.00 0.40 C ATOM 0 H ILE A 39 -6.308 0.318 2.680 1.00 0.33 H new ATOM 0 HA ILE A 39 -5.019 -1.662 0.998 1.00 0.28 H new ATOM 0 HB ILE A 39 -5.021 1.303 0.357 1.00 0.32 H new ATOM 0 HG12 ILE A 39 -5.342 -1.175 -1.380 1.00 0.31 H new ATOM 0 HG13 ILE A 39 -6.672 -0.226 -0.748 1.00 0.31 H new ATOM 0 HG21 ILE A 39 -3.134 0.891 -1.166 1.00 0.36 H new ATOM 0 HG22 ILE A 39 -2.686 0.612 0.533 1.00 0.36 H new ATOM 0 HG23 ILE A 39 -2.998 -0.770 -0.543 1.00 0.36 H new ATOM 0 HD11 ILE A 39 -6.204 0.362 -3.075 1.00 0.40 H new ATOM 0 HD12 ILE A 39 -5.880 1.746 -2.005 1.00 0.40 H new ATOM 0 HD13 ILE A 39 -4.529 0.782 -2.647 1.00 0.40 H new ATOM 591 N GLU A 40 -2.966 -1.400 2.387 1.00 0.22 N ATOM 592 CA GLU A 40 -1.840 -1.352 3.325 1.00 0.24 C ATOM 593 C GLU A 40 -0.516 -1.094 2.603 1.00 0.26 C ATOM 594 O GLU A 40 -0.071 -1.911 1.800 1.00 0.54 O ATOM 595 CB GLU A 40 -1.744 -2.665 4.107 1.00 0.28 C ATOM 596 CG GLU A 40 -0.695 -2.644 5.207 1.00 0.62 C ATOM 597 CD GLU A 40 -0.595 -3.968 5.940 1.00 1.31 C ATOM 598 OE1 GLU A 40 -1.376 -4.179 6.891 1.00 1.43 O ATOM 599 OE2 GLU A 40 0.264 -4.792 5.562 1.00 2.21 O ATOM 0 H GLU A 40 -2.970 -2.218 1.777 1.00 0.22 H new ATOM 0 HA GLU A 40 -2.023 -0.526 4.013 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -2.716 -2.887 4.548 1.00 0.28 H new ATOM 0 HB3 GLU A 40 -1.515 -3.475 3.414 1.00 0.28 H new ATOM 0 HG2 GLU A 40 0.275 -2.398 4.775 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -0.936 -1.855 5.920 1.00 0.62 H new ATOM 606 N LEU A 41 0.120 0.034 2.909 1.00 0.19 N ATOM 607 CA LEU A 41 1.395 0.391 2.291 1.00 0.22 C ATOM 608 C LEU A 41 2.536 0.210 3.284 1.00 0.21 C ATOM 609 O LEU A 41 2.332 0.296 4.495 1.00 0.29 O ATOM 610 CB LEU A 41 1.378 1.842 1.795 1.00 0.34 C ATOM 611 CG LEU A 41 0.116 2.268 1.041 1.00 0.36 C ATOM 612 CD1 LEU A 41 0.239 3.704 0.554 1.00 1.06 C ATOM 613 CD2 LEU A 41 -0.153 1.332 -0.126 1.00 1.30 C ATOM 0 H LEU A 41 -0.227 0.718 3.582 1.00 0.19 H new ATOM 0 HA LEU A 41 1.548 -0.271 1.438 1.00 0.22 H new ATOM 0 HB2 LEU A 41 1.507 2.502 2.653 1.00 0.34 H new ATOM 0 HB3 LEU A 41 2.238 1.994 1.143 1.00 0.34 H new ATOM 0 HG LEU A 41 -0.727 2.210 1.730 1.00 0.36 H new ATOM 0 HD11 LEU A 41 -0.669 3.986 0.021 1.00 1.06 H new ATOM 0 HD12 LEU A 41 0.379 4.367 1.408 1.00 1.06 H new ATOM 0 HD13 LEU A 41 1.095 3.789 -0.116 1.00 1.06 H new ATOM 0 HD21 LEU A 41 -1.054 1.652 -0.649 1.00 1.30 H new ATOM 0 HD22 LEU A 41 0.693 1.355 -0.813 1.00 1.30 H new ATOM 0 HD23 LEU A 41 -0.291 0.317 0.246 1.00 1.30 H new ATOM 625 N GLY A 42 3.735 -0.040 2.769 1.00 0.21 N ATOM 626 CA GLY A 42 4.883 -0.221 3.640 1.00 0.22 C ATOM 627 C GLY A 42 6.152 -0.568 2.887 1.00 0.20 C ATOM 628 O GLY A 42 6.240 -0.373 1.675 1.00 0.24 O ATOM 0 H GLY A 42 3.933 -0.120 1.772 1.00 0.21 H new ATOM 0 HA2 GLY A 42 5.045 0.693 4.212 1.00 0.22 H new ATOM 0 HA3 GLY A 42 4.666 -1.012 4.358 1.00 0.22 H new ATOM 632 N CYS A 43 7.140 -1.078 3.616 1.00 0.21 N ATOM 633 CA CYS A 43 8.417 -1.461 3.028 1.00 0.21 C ATOM 634 C CYS A 43 8.669 -2.954 3.202 1.00 0.17 C ATOM 635 O CYS A 43 8.023 -3.608 4.022 1.00 0.22 O ATOM 636 CB CYS A 43 9.548 -0.672 3.682 1.00 0.26 C ATOM 637 SG CYS A 43 9.636 1.074 3.177 1.00 1.25 S ATOM 0 H CYS A 43 7.078 -1.236 4.622 1.00 0.21 H new ATOM 0 HA CYS A 43 8.383 -1.236 1.962 1.00 0.21 H new ATOM 0 HB2 CYS A 43 9.429 -0.719 4.764 1.00 0.26 H new ATOM 0 HB3 CYS A 43 10.496 -1.155 3.444 1.00 0.26 H new ATOM 642 N ALA A 44 9.612 -3.490 2.431 1.00 0.19 N ATOM 643 CA ALA A 44 9.945 -4.904 2.513 1.00 0.19 C ATOM 644 C ALA A 44 11.219 -5.218 1.744 1.00 0.18 C ATOM 645 O ALA A 44 11.488 -4.631 0.699 1.00 0.20 O ATOM 646 CB ALA A 44 8.787 -5.745 1.998 1.00 0.23 C ATOM 0 H ALA A 44 10.156 -2.966 1.745 1.00 0.19 H new ATOM 0 HA ALA A 44 10.122 -5.151 3.560 1.00 0.19 H new ATOM 0 HB1 ALA A 44 9.047 -6.801 2.064 1.00 0.23 H new ATOM 0 HB2 ALA A 44 7.900 -5.551 2.601 1.00 0.23 H new ATOM 0 HB3 ALA A 44 8.583 -5.486 0.959 1.00 0.23 H new ATOM 652 N ALA A 45 12.008 -6.143 2.280 1.00 0.19 N ATOM 653 CA ALA A 45 13.253 -6.544 1.643 1.00 0.21 C ATOM 654 C ALA A 45 12.977 -7.217 0.306 1.00 0.20 C ATOM 655 O ALA A 45 13.813 -7.196 -0.598 1.00 0.22 O ATOM 656 CB ALA A 45 14.033 -7.477 2.555 1.00 0.24 C ATOM 0 H ALA A 45 11.806 -6.628 3.154 1.00 0.19 H new ATOM 0 HA ALA A 45 13.852 -5.652 1.461 1.00 0.21 H new ATOM 0 HB1 ALA A 45 14.963 -7.770 2.067 1.00 0.24 H new ATOM 0 HB2 ALA A 45 14.260 -6.966 3.490 1.00 0.24 H new ATOM 0 HB3 ALA A 45 13.437 -8.365 2.763 1.00 0.24 H new ATOM 662 N THR A 46 11.793 -7.810 0.191 1.00 0.19 N ATOM 663 CA THR A 46 11.394 -8.496 -1.031 1.00 0.21 C ATOM 664 C THR A 46 9.888 -8.404 -1.252 1.00 0.20 C ATOM 665 O THR A 46 9.107 -8.490 -0.305 1.00 0.22 O ATOM 666 CB THR A 46 11.800 -9.980 -0.996 1.00 0.24 C ATOM 667 OG1 THR A 46 11.462 -10.552 0.274 1.00 0.25 O ATOM 668 CG2 THR A 46 13.290 -10.142 -1.253 1.00 0.31 C ATOM 0 H THR A 46 11.092 -7.829 0.932 1.00 0.19 H new ATOM 0 HA THR A 46 11.910 -7.999 -1.853 1.00 0.21 H new ATOM 0 HB THR A 46 11.255 -10.500 -1.784 1.00 0.24 H new ATOM 0 HG1 THR A 46 11.722 -11.497 0.287 1.00 0.25 H new ATOM 0 HG21 THR A 46 13.552 -11.200 -1.223 1.00 0.31 H new ATOM 0 HG22 THR A 46 13.536 -9.735 -2.234 1.00 0.31 H new ATOM 0 HG23 THR A 46 13.852 -9.608 -0.487 1.00 0.31 H new ATOM 676 N CYS A 47 9.494 -8.218 -2.512 1.00 0.21 N ATOM 677 CA CYS A 47 8.085 -8.119 -2.885 1.00 0.24 C ATOM 678 C CYS A 47 7.225 -9.157 -2.154 1.00 0.25 C ATOM 679 O CYS A 47 7.275 -10.345 -2.475 1.00 0.32 O ATOM 680 CB CYS A 47 7.937 -8.308 -4.393 1.00 0.29 C ATOM 681 SG CYS A 47 6.210 -8.414 -4.961 1.00 0.32 S ATOM 0 H CYS A 47 10.139 -8.132 -3.298 1.00 0.21 H new ATOM 0 HA CYS A 47 7.735 -7.129 -2.594 1.00 0.24 H new ATOM 0 HB2 CYS A 47 8.426 -7.478 -4.902 1.00 0.29 H new ATOM 0 HB3 CYS A 47 8.462 -9.216 -4.688 1.00 0.29 H new ATOM 686 N PRO A 48 6.428 -8.720 -1.156 1.00 0.27 N ATOM 687 CA PRO A 48 5.546 -9.603 -0.380 1.00 0.33 C ATOM 688 C PRO A 48 4.667 -10.504 -1.233 1.00 0.36 C ATOM 689 O PRO A 48 4.509 -10.297 -2.436 1.00 0.36 O ATOM 690 CB PRO A 48 4.677 -8.608 0.378 1.00 0.38 C ATOM 691 CG PRO A 48 5.600 -7.494 0.634 1.00 0.49 C ATOM 692 CD PRO A 48 6.327 -7.327 -0.667 1.00 0.35 C ATOM 0 HA PRO A 48 6.119 -10.294 0.238 1.00 0.33 H new ATOM 0 HB2 PRO A 48 3.816 -8.292 -0.212 1.00 0.38 H new ATOM 0 HB3 PRO A 48 4.290 -9.033 1.304 1.00 0.38 H new ATOM 0 HG2 PRO A 48 5.064 -6.586 0.913 1.00 0.49 H new ATOM 0 HG3 PRO A 48 6.286 -7.722 1.450 1.00 0.49 H new ATOM 0 HD2 PRO A 48 5.777 -6.692 -1.361 1.00 0.35 H new ATOM 0 HD3 PRO A 48 7.308 -6.873 -0.529 1.00 0.35 H new ATOM 700 N THR A 49 4.100 -11.506 -0.579 1.00 0.42 N ATOM 701 CA THR A 49 3.213 -12.459 -1.235 1.00 0.49 C ATOM 702 C THR A 49 1.797 -12.340 -0.689 1.00 0.50 C ATOM 703 O THR A 49 1.592 -11.886 0.438 1.00 0.54 O ATOM 704 CB THR A 49 3.700 -13.908 -1.058 1.00 0.63 C ATOM 705 OG1 THR A 49 4.205 -14.101 0.268 1.00 0.69 O ATOM 706 CG2 THR A 49 4.776 -14.243 -2.077 1.00 0.68 C ATOM 0 H THR A 49 4.239 -11.683 0.416 1.00 0.42 H new ATOM 0 HA THR A 49 3.219 -12.218 -2.298 1.00 0.49 H new ATOM 0 HB THR A 49 2.853 -14.575 -1.218 1.00 0.63 H new ATOM 0 HG1 THR A 49 4.510 -15.027 0.370 1.00 0.69 H new ATOM 0 HG21 THR A 49 5.105 -15.272 -1.933 1.00 0.68 H new ATOM 0 HG22 THR A 49 4.373 -14.128 -3.083 1.00 0.68 H new ATOM 0 HG23 THR A 49 5.623 -13.569 -1.947 1.00 0.68 H new ATOM 714 N VAL A 50 0.822 -12.748 -1.491 1.00 0.54 N ATOM 715 CA VAL A 50 -0.578 -12.678 -1.084 1.00 0.58 C ATOM 716 C VAL A 50 -1.364 -13.896 -1.553 1.00 0.75 C ATOM 717 O VAL A 50 -0.808 -14.810 -2.163 1.00 0.84 O ATOM 718 CB VAL A 50 -1.256 -11.407 -1.625 1.00 0.50 C ATOM 719 CG1 VAL A 50 -0.745 -10.177 -0.893 1.00 0.42 C ATOM 720 CG2 VAL A 50 -1.033 -11.280 -3.125 1.00 0.57 C ATOM 0 H VAL A 50 0.973 -13.130 -2.425 1.00 0.54 H new ATOM 0 HA VAL A 50 -0.581 -12.653 0.006 1.00 0.58 H new ATOM 0 HB VAL A 50 -2.329 -11.485 -1.448 1.00 0.50 H new ATOM 0 HG11 VAL A 50 -1.236 -9.288 -1.289 1.00 0.42 H new ATOM 0 HG12 VAL A 50 -0.965 -10.269 0.171 1.00 0.42 H new ATOM 0 HG13 VAL A 50 0.332 -10.091 -1.035 1.00 0.42 H new ATOM 0 HG21 VAL A 50 -1.520 -10.375 -3.490 1.00 0.57 H new ATOM 0 HG22 VAL A 50 0.036 -11.225 -3.331 1.00 0.57 H new ATOM 0 HG23 VAL A 50 -1.456 -12.148 -3.630 1.00 0.57 H new ATOM 730 N GLU A 51 -2.662 -13.898 -1.263 1.00 0.81 N ATOM 731 CA GLU A 51 -3.531 -15.002 -1.650 1.00 0.98 C ATOM 732 C GLU A 51 -4.630 -14.533 -2.609 1.00 0.93 C ATOM 733 O GLU A 51 -4.343 -13.888 -3.618 1.00 0.92 O ATOM 734 CB GLU A 51 -4.136 -15.658 -0.406 1.00 1.09 C ATOM 735 CG GLU A 51 -4.769 -14.673 0.561 1.00 0.99 C ATOM 736 CD GLU A 51 -5.311 -15.348 1.805 1.00 1.22 C ATOM 737 OE1 GLU A 51 -6.409 -15.939 1.730 1.00 1.39 O ATOM 738 OE2 GLU A 51 -4.637 -15.290 2.856 1.00 1.31 O ATOM 0 H GLU A 51 -3.134 -13.146 -0.761 1.00 0.81 H new ATOM 0 HA GLU A 51 -2.929 -15.742 -2.177 1.00 0.98 H new ATOM 0 HB2 GLU A 51 -4.889 -16.381 -0.718 1.00 1.09 H new ATOM 0 HB3 GLU A 51 -3.357 -16.214 0.115 1.00 1.09 H new ATOM 0 HG2 GLU A 51 -4.030 -13.926 0.850 1.00 0.99 H new ATOM 0 HG3 GLU A 51 -5.578 -14.143 0.057 1.00 0.99 H new ATOM 745 N SER A 52 -5.884 -14.857 -2.295 1.00 0.98 N ATOM 746 CA SER A 52 -7.004 -14.486 -3.150 1.00 0.97 C ATOM 747 C SER A 52 -7.620 -13.139 -2.773 1.00 0.78 C ATOM 748 O SER A 52 -7.412 -12.140 -3.461 1.00 0.75 O ATOM 749 CB SER A 52 -8.078 -15.574 -3.111 1.00 1.11 C ATOM 750 OG SER A 52 -9.155 -15.261 -3.977 1.00 1.15 O ATOM 0 H SER A 52 -6.146 -15.374 -1.456 1.00 0.98 H new ATOM 0 HA SER A 52 -6.608 -14.386 -4.161 1.00 0.97 H new ATOM 0 HB2 SER A 52 -7.642 -16.530 -3.400 1.00 1.11 H new ATOM 0 HB3 SER A 52 -8.448 -15.687 -2.092 1.00 1.11 H new ATOM 0 HG SER A 52 -9.827 -15.973 -3.934 1.00 1.15 H new ATOM 756 N TYR A 53 -8.380 -13.118 -1.680 1.00 0.73 N ATOM 757 CA TYR A 53 -9.056 -11.899 -1.239 1.00 0.62 C ATOM 758 C TYR A 53 -8.085 -10.736 -1.050 1.00 0.57 C ATOM 759 O TYR A 53 -8.487 -9.573 -1.108 1.00 0.72 O ATOM 760 CB TYR A 53 -9.844 -12.151 0.054 1.00 0.64 C ATOM 761 CG TYR A 53 -9.008 -12.144 1.316 1.00 0.69 C ATOM 762 CD1 TYR A 53 -8.338 -13.289 1.732 1.00 0.93 C ATOM 763 CD2 TYR A 53 -8.877 -10.994 2.083 1.00 0.66 C ATOM 764 CE1 TYR A 53 -7.564 -13.288 2.878 1.00 1.05 C ATOM 765 CE2 TYR A 53 -8.102 -10.984 3.228 1.00 0.77 C ATOM 766 CZ TYR A 53 -7.495 -12.129 3.651 1.00 0.94 C ATOM 767 OH TYR A 53 -6.677 -12.125 4.759 1.00 1.10 O ATOM 0 H TYR A 53 -8.543 -13.930 -1.084 1.00 0.73 H new ATOM 0 HA TYR A 53 -9.752 -11.618 -2.029 1.00 0.62 H new ATOM 0 HB2 TYR A 53 -10.620 -11.391 0.144 1.00 0.64 H new ATOM 0 HB3 TYR A 53 -10.349 -13.114 -0.026 1.00 0.64 H new ATOM 0 HD1 TYR A 53 -8.423 -14.195 1.150 1.00 0.93 H new ATOM 0 HD2 TYR A 53 -9.389 -10.092 1.780 1.00 0.66 H new ATOM 0 HE1 TYR A 53 -7.020 -14.174 3.171 1.00 1.05 H new ATOM 0 HE2 TYR A 53 -7.977 -10.069 3.788 1.00 0.77 H new ATOM 0 HH TYR A 53 -6.728 -11.251 5.200 1.00 1.10 H new ATOM 777 N GLN A 54 -6.810 -11.041 -0.828 1.00 0.61 N ATOM 778 CA GLN A 54 -5.812 -9.995 -0.637 1.00 0.70 C ATOM 779 C GLN A 54 -4.859 -9.920 -1.829 1.00 0.66 C ATOM 780 O GLN A 54 -4.521 -10.939 -2.432 1.00 0.81 O ATOM 781 CB GLN A 54 -5.038 -10.231 0.663 1.00 0.85 C ATOM 782 CG GLN A 54 -3.898 -11.226 0.536 1.00 0.89 C ATOM 783 CD GLN A 54 -3.525 -11.853 1.863 1.00 1.62 C ATOM 784 OE1 GLN A 54 -2.353 -12.110 2.136 1.00 2.37 O ATOM 785 NE2 GLN A 54 -4.529 -12.123 2.687 1.00 1.90 N ATOM 0 H GLN A 54 -6.447 -11.993 -0.776 1.00 0.61 H new ATOM 0 HA GLN A 54 -6.329 -9.038 -0.565 1.00 0.70 H new ATOM 0 HB2 GLN A 54 -4.638 -9.279 1.012 1.00 0.85 H new ATOM 0 HB3 GLN A 54 -5.731 -10.585 1.426 1.00 0.85 H new ATOM 0 HG2 GLN A 54 -4.181 -12.010 -0.166 1.00 0.89 H new ATOM 0 HG3 GLN A 54 -3.026 -10.723 0.118 1.00 0.89 H new ATOM 0 HE21 GLN A 54 -5.485 -11.892 2.418 1.00 1.90 H new ATOM 0 HE22 GLN A 54 -4.344 -12.562 3.589 1.00 1.90 H new ATOM 794 N ASP A 55 -4.434 -8.704 -2.163 1.00 0.50 N ATOM 795 CA ASP A 55 -3.526 -8.486 -3.285 1.00 0.46 C ATOM 796 C ASP A 55 -2.374 -7.572 -2.878 1.00 0.40 C ATOM 797 O ASP A 55 -2.483 -6.819 -1.910 1.00 0.38 O ATOM 798 CB ASP A 55 -4.281 -7.877 -4.467 1.00 0.49 C ATOM 799 CG ASP A 55 -4.355 -8.816 -5.655 1.00 0.70 C ATOM 800 OD1 ASP A 55 -3.408 -8.815 -6.470 1.00 0.84 O ATOM 801 OD2 ASP A 55 -5.357 -9.552 -5.770 1.00 0.90 O ATOM 0 H ASP A 55 -4.705 -7.853 -1.671 1.00 0.50 H new ATOM 0 HA ASP A 55 -3.116 -9.451 -3.583 1.00 0.46 H new ATOM 0 HB2 ASP A 55 -5.291 -7.614 -4.152 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -3.791 -6.952 -4.769 1.00 0.49 H new ATOM 806 N ILE A 56 -1.271 -7.641 -3.620 1.00 0.38 N ATOM 807 CA ILE A 56 -0.105 -6.816 -3.320 1.00 0.34 C ATOM 808 C ILE A 56 0.698 -6.487 -4.576 1.00 0.33 C ATOM 809 O ILE A 56 0.676 -7.232 -5.555 1.00 0.36 O ATOM 810 CB ILE A 56 0.827 -7.518 -2.311 1.00 0.37 C ATOM 811 CG1 ILE A 56 1.900 -6.552 -1.808 1.00 0.62 C ATOM 812 CG2 ILE A 56 1.474 -8.741 -2.945 1.00 0.49 C ATOM 813 CD1 ILE A 56 1.964 -6.460 -0.301 1.00 0.55 C ATOM 0 H ILE A 56 -1.161 -8.255 -4.427 1.00 0.38 H new ATOM 0 HA ILE A 56 -0.486 -5.890 -2.889 1.00 0.34 H new ATOM 0 HB ILE A 56 0.228 -7.843 -1.461 1.00 0.37 H new ATOM 0 HG12 ILE A 56 2.871 -6.870 -2.187 1.00 0.62 H new ATOM 0 HG13 ILE A 56 1.707 -5.560 -2.218 1.00 0.62 H new ATOM 0 HG21 ILE A 56 2.128 -9.224 -2.219 1.00 0.49 H new ATOM 0 HG22 ILE A 56 0.700 -9.441 -3.258 1.00 0.49 H new ATOM 0 HG23 ILE A 56 2.058 -8.435 -3.813 1.00 0.49 H new ATOM 0 HD11 ILE A 56 2.746 -5.758 -0.012 1.00 0.55 H new ATOM 0 HD12 ILE A 56 1.005 -6.113 0.083 1.00 0.55 H new ATOM 0 HD13 ILE A 56 2.187 -7.443 0.114 1.00 0.55 H new ATOM 825 N LYS A 57 1.401 -5.361 -4.533 1.00 0.34 N ATOM 826 CA LYS A 57 2.243 -4.934 -5.642 1.00 0.36 C ATOM 827 C LYS A 57 3.613 -4.542 -5.106 1.00 0.33 C ATOM 828 O LYS A 57 3.745 -4.170 -3.940 1.00 0.53 O ATOM 829 CB LYS A 57 1.600 -3.768 -6.408 1.00 0.40 C ATOM 830 CG LYS A 57 2.254 -2.413 -6.161 1.00 1.32 C ATOM 831 CD LYS A 57 1.694 -1.341 -7.085 1.00 1.62 C ATOM 832 CE LYS A 57 0.210 -1.105 -6.847 1.00 2.06 C ATOM 833 NZ LYS A 57 -0.342 -0.071 -7.765 1.00 2.48 N ATOM 0 H LYS A 57 1.403 -4.724 -3.736 1.00 0.34 H new ATOM 0 HA LYS A 57 2.354 -5.760 -6.344 1.00 0.36 H new ATOM 0 HB2 LYS A 57 1.637 -3.986 -7.475 1.00 0.40 H new ATOM 0 HB3 LYS A 57 0.547 -3.705 -6.132 1.00 0.40 H new ATOM 0 HG2 LYS A 57 2.098 -2.117 -5.124 1.00 1.32 H new ATOM 0 HG3 LYS A 57 3.331 -2.496 -6.310 1.00 1.32 H new ATOM 0 HD2 LYS A 57 2.239 -0.409 -6.932 1.00 1.62 H new ATOM 0 HD3 LYS A 57 1.853 -1.637 -8.122 1.00 1.62 H new ATOM 0 HE2 LYS A 57 -0.333 -2.040 -6.985 1.00 2.06 H new ATOM 0 HE3 LYS A 57 0.053 -0.795 -5.814 1.00 2.06 H new ATOM 0 HZ1 LYS A 57 -1.355 0.060 -7.571 1.00 2.48 H new ATOM 0 HZ2 LYS A 57 0.159 0.828 -7.616 1.00 2.48 H new ATOM 0 HZ3 LYS A 57 -0.215 -0.378 -8.750 1.00 2.48 H new ATOM 847 N CYS A 58 4.629 -4.625 -5.951 1.00 0.23 N ATOM 848 CA CYS A 58 5.979 -4.291 -5.529 1.00 0.21 C ATOM 849 C CYS A 58 6.583 -3.181 -6.375 1.00 0.17 C ATOM 850 O CYS A 58 6.365 -3.105 -7.584 1.00 0.29 O ATOM 851 CB CYS A 58 6.869 -5.526 -5.591 1.00 0.31 C ATOM 852 SG CYS A 58 6.083 -6.970 -6.377 1.00 1.04 S ATOM 0 H CYS A 58 4.546 -4.918 -6.924 1.00 0.23 H new ATOM 0 HA CYS A 58 5.918 -3.932 -4.502 1.00 0.21 H new ATOM 0 HB2 CYS A 58 7.779 -5.278 -6.138 1.00 0.31 H new ATOM 0 HB3 CYS A 58 7.169 -5.795 -4.578 1.00 0.31 H new ATOM 857 N CYS A 59 7.351 -2.329 -5.712 1.00 0.20 N ATOM 858 CA CYS A 59 8.022 -1.211 -6.359 1.00 0.22 C ATOM 859 C CYS A 59 9.267 -0.839 -5.566 1.00 0.18 C ATOM 860 O CYS A 59 9.474 -1.337 -4.462 1.00 0.30 O ATOM 861 CB CYS A 59 7.099 0.008 -6.452 1.00 0.38 C ATOM 862 SG CYS A 59 5.467 -0.324 -7.193 1.00 0.68 S ATOM 0 H CYS A 59 7.527 -2.393 -4.709 1.00 0.20 H new ATOM 0 HA CYS A 59 8.296 -1.515 -7.369 1.00 0.22 H new ATOM 0 HB2 CYS A 59 6.952 0.412 -5.450 1.00 0.38 H new ATOM 0 HB3 CYS A 59 7.598 0.780 -7.037 1.00 0.38 H new ATOM 867 N SER A 60 10.087 0.038 -6.124 1.00 0.20 N ATOM 868 CA SER A 60 11.303 0.469 -5.449 1.00 0.21 C ATOM 869 C SER A 60 11.365 1.994 -5.384 1.00 0.16 C ATOM 870 O SER A 60 12.438 2.594 -5.450 1.00 0.22 O ATOM 871 CB SER A 60 12.535 -0.104 -6.156 1.00 0.31 C ATOM 872 OG SER A 60 13.733 0.441 -5.630 1.00 1.22 O ATOM 0 H SER A 60 9.935 0.464 -7.038 1.00 0.20 H new ATOM 0 HA SER A 60 11.292 0.089 -4.427 1.00 0.21 H new ATOM 0 HB2 SER A 60 12.548 -1.188 -6.046 1.00 0.31 H new ATOM 0 HB3 SER A 60 12.475 0.108 -7.224 1.00 0.31 H new ATOM 0 HG SER A 60 13.661 1.418 -5.596 1.00 1.22 H new ATOM 878 N THR A 61 10.193 2.608 -5.240 1.00 0.17 N ATOM 879 CA THR A 61 10.083 4.060 -5.153 1.00 0.18 C ATOM 880 C THR A 61 8.662 4.475 -4.777 1.00 0.15 C ATOM 881 O THR A 61 7.693 3.866 -5.229 1.00 0.15 O ATOM 882 CB THR A 61 10.469 4.738 -6.482 1.00 0.24 C ATOM 883 OG1 THR A 61 10.210 6.147 -6.409 1.00 1.25 O ATOM 884 CG2 THR A 61 9.694 4.133 -7.644 1.00 1.07 C ATOM 0 H THR A 61 9.301 2.117 -5.181 1.00 0.17 H new ATOM 0 HA THR A 61 10.777 4.385 -4.378 1.00 0.18 H new ATOM 0 HB THR A 61 11.533 4.574 -6.652 1.00 0.24 H new ATOM 0 HG1 THR A 61 10.460 6.570 -7.257 1.00 1.25 H new ATOM 0 HG21 THR A 61 9.983 4.628 -8.571 1.00 1.07 H new ATOM 0 HG22 THR A 61 9.918 3.069 -7.716 1.00 1.07 H new ATOM 0 HG23 THR A 61 8.625 4.269 -7.479 1.00 1.07 H new ATOM 892 N ASP A 62 8.547 5.503 -3.939 1.00 0.17 N ATOM 893 CA ASP A 62 7.247 6.001 -3.504 1.00 0.18 C ATOM 894 C ASP A 62 6.355 6.337 -4.694 1.00 0.17 C ATOM 895 O ASP A 62 5.137 6.189 -4.627 1.00 0.18 O ATOM 896 CB ASP A 62 7.418 7.238 -2.623 1.00 0.23 C ATOM 897 CG ASP A 62 8.181 8.344 -3.324 1.00 0.25 C ATOM 898 OD1 ASP A 62 7.557 9.096 -4.103 1.00 0.28 O ATOM 899 OD2 ASP A 62 9.403 8.462 -3.092 1.00 0.29 O ATOM 0 H ASP A 62 9.342 6.008 -3.547 1.00 0.17 H new ATOM 0 HA ASP A 62 6.767 5.211 -2.927 1.00 0.18 H new ATOM 0 HB2 ASP A 62 6.437 7.608 -2.327 1.00 0.23 H new ATOM 0 HB3 ASP A 62 7.943 6.960 -1.709 1.00 0.23 H new ATOM 904 N ASP A 63 6.965 6.783 -5.787 1.00 0.22 N ATOM 905 CA ASP A 63 6.217 7.138 -6.989 1.00 0.27 C ATOM 906 C ASP A 63 5.445 5.932 -7.527 1.00 0.25 C ATOM 907 O ASP A 63 4.687 6.046 -8.491 1.00 0.32 O ATOM 908 CB ASP A 63 7.164 7.676 -8.064 1.00 0.36 C ATOM 909 CG ASP A 63 6.425 8.201 -9.279 1.00 1.08 C ATOM 910 OD1 ASP A 63 5.973 9.365 -9.241 1.00 1.39 O ATOM 911 OD2 ASP A 63 6.299 7.449 -10.268 1.00 1.76 O ATOM 0 H ASP A 63 7.974 6.907 -5.866 1.00 0.22 H new ATOM 0 HA ASP A 63 5.500 7.916 -6.725 1.00 0.27 H new ATOM 0 HB2 ASP A 63 7.773 8.474 -7.640 1.00 0.36 H new ATOM 0 HB3 ASP A 63 7.846 6.884 -8.372 1.00 0.36 H new ATOM 916 N CYS A 64 5.641 4.783 -6.891 1.00 0.25 N ATOM 917 CA CYS A 64 4.973 3.553 -7.296 1.00 0.28 C ATOM 918 C CYS A 64 4.302 2.878 -6.101 1.00 0.25 C ATOM 919 O CYS A 64 3.735 1.794 -6.232 1.00 0.31 O ATOM 920 CB CYS A 64 5.990 2.602 -7.934 1.00 0.32 C ATOM 921 SG CYS A 64 5.271 1.085 -8.653 1.00 0.41 S ATOM 0 H CYS A 64 6.261 4.678 -6.088 1.00 0.25 H new ATOM 0 HA CYS A 64 4.200 3.800 -8.024 1.00 0.28 H new ATOM 0 HB2 CYS A 64 6.528 3.138 -8.716 1.00 0.32 H new ATOM 0 HB3 CYS A 64 6.724 2.318 -7.180 1.00 0.32 H new ATOM 926 N ASN A 65 4.352 3.527 -4.936 1.00 0.24 N ATOM 927 CA ASN A 65 3.750 2.958 -3.732 1.00 0.24 C ATOM 928 C ASN A 65 2.886 3.964 -2.957 1.00 0.25 C ATOM 929 O ASN A 65 3.089 4.148 -1.754 1.00 0.35 O ATOM 930 CB ASN A 65 4.838 2.413 -2.810 1.00 0.25 C ATOM 931 CG ASN A 65 4.321 1.323 -1.893 1.00 0.67 C ATOM 932 OD1 ASN A 65 4.406 0.140 -2.217 1.00 1.59 O ATOM 933 ND2 ASN A 65 3.773 1.712 -0.745 1.00 0.46 N ATOM 0 H ASN A 65 4.797 4.435 -4.802 1.00 0.24 H new ATOM 0 HA ASN A 65 3.093 2.154 -4.065 1.00 0.24 H new ATOM 0 HB2 ASN A 65 5.658 2.020 -3.411 1.00 0.25 H new ATOM 0 HB3 ASN A 65 5.244 3.227 -2.210 1.00 0.25 H new ATOM 0 HD21 ASN A 65 3.404 1.018 -0.095 1.00 0.46 H new ATOM 0 HD22 ASN A 65 3.722 2.704 -0.514 1.00 0.46 H new ATOM 940 N PRO A 66 1.927 4.646 -3.624 1.00 0.25 N ATOM 941 CA PRO A 66 1.012 5.582 -2.997 1.00 0.29 C ATOM 942 C PRO A 66 -0.332 4.912 -2.707 1.00 0.31 C ATOM 943 O PRO A 66 -0.389 3.703 -2.483 1.00 0.64 O ATOM 944 CB PRO A 66 0.860 6.663 -4.082 1.00 0.34 C ATOM 945 CG PRO A 66 1.373 6.065 -5.345 1.00 0.46 C ATOM 946 CD PRO A 66 1.658 4.621 -5.055 1.00 0.30 C ATOM 0 HA PRO A 66 1.363 5.967 -2.039 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -0.183 6.962 -4.189 1.00 0.34 H new ATOM 0 HB3 PRO A 66 1.423 7.559 -3.820 1.00 0.34 H new ATOM 0 HG2 PRO A 66 0.639 6.161 -6.145 1.00 0.46 H new ATOM 0 HG3 PRO A 66 2.275 6.578 -5.677 1.00 0.46 H new ATOM 0 HD2 PRO A 66 0.810 3.981 -5.300 1.00 0.30 H new ATOM 0 HD3 PRO A 66 2.511 4.251 -5.624 1.00 0.30 H new ATOM 954 N HIS A 67 -1.406 5.695 -2.707 1.00 0.26 N ATOM 955 CA HIS A 67 -2.743 5.165 -2.472 1.00 0.30 C ATOM 956 C HIS A 67 -3.498 5.029 -3.799 1.00 0.39 C ATOM 957 O HIS A 67 -4.007 6.016 -4.330 1.00 0.56 O ATOM 958 CB HIS A 67 -3.517 6.077 -1.523 1.00 0.39 C ATOM 959 CG HIS A 67 -4.493 5.342 -0.662 1.00 0.44 C ATOM 960 ND1 HIS A 67 -5.835 5.241 -0.955 1.00 0.59 N ATOM 961 CD2 HIS A 67 -4.308 4.667 0.494 1.00 0.46 C ATOM 962 CE1 HIS A 67 -6.436 4.534 -0.014 1.00 0.64 C ATOM 963 NE2 HIS A 67 -5.531 4.174 0.877 1.00 0.56 N ATOM 0 H HIS A 67 -1.375 6.702 -2.868 1.00 0.26 H new ATOM 0 HA HIS A 67 -2.650 4.180 -2.014 1.00 0.30 H new ATOM 0 HB2 HIS A 67 -2.811 6.610 -0.886 1.00 0.39 H new ATOM 0 HB3 HIS A 67 -4.051 6.828 -2.106 1.00 0.39 H new ATOM 0 HD1 HIS A 67 -6.293 5.648 -1.770 1.00 0.59 H new ATOM 0 HD2 HIS A 67 -3.373 4.539 1.019 1.00 0.46 H new ATOM 0 HE1 HIS A 67 -7.488 4.292 0.020 1.00 0.64 H new ATOM 972 N PRO A 68 -3.574 3.803 -4.356 1.00 0.43 N ATOM 973 CA PRO A 68 -4.258 3.544 -5.633 1.00 0.57 C ATOM 974 C PRO A 68 -5.698 4.056 -5.677 1.00 0.75 C ATOM 975 O PRO A 68 -6.257 4.243 -6.758 1.00 0.94 O ATOM 976 CB PRO A 68 -4.238 2.017 -5.727 1.00 0.71 C ATOM 977 CG PRO A 68 -3.029 1.625 -4.964 1.00 0.86 C ATOM 978 CD PRO A 68 -2.996 2.564 -3.798 1.00 0.53 C ATOM 0 HA PRO A 68 -3.766 4.060 -6.457 1.00 0.57 H new ATOM 0 HB2 PRO A 68 -5.140 1.579 -5.298 1.00 0.71 H new ATOM 0 HB3 PRO A 68 -4.182 1.682 -6.763 1.00 0.71 H new ATOM 0 HG2 PRO A 68 -3.087 0.587 -4.636 1.00 0.86 H new ATOM 0 HG3 PRO A 68 -2.129 1.717 -5.572 1.00 0.86 H new ATOM 0 HD2 PRO A 68 -3.581 2.187 -2.959 1.00 0.53 H new ATOM 0 HD3 PRO A 68 -1.981 2.720 -3.434 1.00 0.53 H new ATOM 986 N LYS A 69 -6.297 4.284 -4.512 1.00 0.84 N ATOM 987 CA LYS A 69 -7.677 4.763 -4.455 1.00 1.10 C ATOM 988 C LYS A 69 -7.804 6.031 -3.615 1.00 1.38 C ATOM 989 O LYS A 69 -8.090 5.963 -2.419 1.00 2.19 O ATOM 990 CB LYS A 69 -8.593 3.671 -3.893 1.00 1.36 C ATOM 991 CG LYS A 69 -10.069 4.042 -3.905 1.00 1.66 C ATOM 992 CD LYS A 69 -10.587 4.232 -5.322 1.00 2.44 C ATOM 993 CE LYS A 69 -12.064 4.589 -5.331 1.00 2.83 C ATOM 994 NZ LYS A 69 -12.904 3.498 -4.762 1.00 3.36 N ATOM 0 H LYS A 69 -5.855 4.147 -3.603 1.00 0.84 H new ATOM 0 HA LYS A 69 -7.982 5.006 -5.473 1.00 1.10 H new ATOM 0 HB2 LYS A 69 -8.453 2.758 -4.472 1.00 1.36 H new ATOM 0 HB3 LYS A 69 -8.292 3.449 -2.869 1.00 1.36 H new ATOM 0 HG2 LYS A 69 -10.645 3.261 -3.408 1.00 1.66 H new ATOM 0 HG3 LYS A 69 -10.219 4.960 -3.336 1.00 1.66 H new ATOM 0 HD2 LYS A 69 -10.018 5.020 -5.816 1.00 2.44 H new ATOM 0 HD3 LYS A 69 -10.429 3.318 -5.894 1.00 2.44 H new ATOM 0 HE2 LYS A 69 -12.220 5.503 -4.758 1.00 2.83 H new ATOM 0 HE3 LYS A 69 -12.381 4.795 -6.353 1.00 2.83 H new ATOM 0 HZ1 LYS A 69 -13.907 3.696 -4.954 1.00 3.36 H new ATOM 0 HZ2 LYS A 69 -12.640 2.592 -5.200 1.00 3.36 H new ATOM 0 HZ3 LYS A 69 -12.753 3.443 -3.735 1.00 3.36 H new ATOM 1008 N GLN A 70 -7.605 7.184 -4.261 1.00 1.57 N ATOM 1009 CA GLN A 70 -7.696 8.484 -3.610 1.00 2.17 C ATOM 1010 C GLN A 70 -7.183 8.448 -2.168 1.00 2.55 C ATOM 1011 O GLN A 70 -6.280 7.680 -1.840 1.00 3.19 O ATOM 1012 CB GLN A 70 -9.142 8.974 -3.665 1.00 2.94 C ATOM 1013 CG GLN A 70 -10.098 8.196 -2.773 1.00 3.68 C ATOM 1014 CD GLN A 70 -11.523 8.709 -2.858 1.00 4.63 C ATOM 1015 OE1 GLN A 70 -11.755 9.893 -3.098 1.00 5.09 O ATOM 1016 NE2 GLN A 70 -12.486 7.816 -2.660 1.00 5.32 N ATOM 0 H GLN A 70 -7.376 7.237 -5.254 1.00 1.57 H new ATOM 0 HA GLN A 70 -7.053 9.181 -4.148 1.00 2.17 H new ATOM 0 HB2 GLN A 70 -9.169 10.025 -3.378 1.00 2.94 H new ATOM 0 HB3 GLN A 70 -9.495 8.916 -4.695 1.00 2.94 H new ATOM 0 HG2 GLN A 70 -10.077 7.143 -3.055 1.00 3.68 H new ATOM 0 HG3 GLN A 70 -9.755 8.256 -1.740 1.00 3.68 H new ATOM 0 HE21 GLN A 70 -12.248 6.844 -2.464 1.00 5.32 H new ATOM 0 HE22 GLN A 70 -13.464 8.102 -2.704 1.00 5.32 H new ATOM 1025 N LYS A 71 -7.750 9.300 -1.316 1.00 2.93 N ATOM 1026 CA LYS A 71 -7.352 9.359 0.086 1.00 3.85 C ATOM 1027 C LYS A 71 -8.381 8.661 0.970 1.00 4.58 C ATOM 1028 O LYS A 71 -9.586 8.770 0.737 1.00 4.73 O ATOM 1029 CB LYS A 71 -7.188 10.815 0.528 1.00 4.52 C ATOM 1030 CG LYS A 71 -6.166 11.591 -0.287 1.00 4.94 C ATOM 1031 CD LYS A 71 -4.757 11.061 -0.072 1.00 5.74 C ATOM 1032 CE LYS A 71 -3.755 11.752 -0.983 1.00 6.70 C ATOM 1033 NZ LYS A 71 -3.772 13.231 -0.809 1.00 7.04 N ATOM 0 H LYS A 71 -8.486 9.958 -1.573 1.00 2.93 H new ATOM 0 HA LYS A 71 -6.397 8.844 0.192 1.00 3.85 H new ATOM 0 HB2 LYS A 71 -8.153 11.317 0.457 1.00 4.52 H new ATOM 0 HB3 LYS A 71 -6.894 10.836 1.577 1.00 4.52 H new ATOM 0 HG2 LYS A 71 -6.421 11.529 -1.345 1.00 4.94 H new ATOM 0 HG3 LYS A 71 -6.205 12.645 -0.011 1.00 4.94 H new ATOM 0 HD2 LYS A 71 -4.467 11.209 0.968 1.00 5.74 H new ATOM 0 HD3 LYS A 71 -4.739 9.987 -0.258 1.00 5.74 H new ATOM 0 HE2 LYS A 71 -2.754 11.374 -0.775 1.00 6.70 H new ATOM 0 HE3 LYS A 71 -3.979 11.506 -2.021 1.00 6.70 H new ATOM 0 HZ1 LYS A 71 -2.967 13.650 -1.317 1.00 7.04 H new ATOM 0 HZ2 LYS A 71 -4.660 13.615 -1.191 1.00 7.04 H new ATOM 0 HZ3 LYS A 71 -3.702 13.462 0.203 1.00 7.04 H new ATOM 1047 N ARG A 72 -7.904 7.945 1.984 1.00 5.45 N ATOM 1048 CA ARG A 72 -8.792 7.234 2.897 1.00 6.44 C ATOM 1049 C ARG A 72 -9.338 8.177 3.970 1.00 7.13 C ATOM 1050 O ARG A 72 -8.634 9.079 4.426 1.00 7.26 O ATOM 1051 CB ARG A 72 -8.061 6.063 3.557 1.00 7.19 C ATOM 1052 CG ARG A 72 -6.809 6.470 4.315 1.00 7.48 C ATOM 1053 CD ARG A 72 -6.313 5.348 5.212 1.00 8.35 C ATOM 1054 NE ARG A 72 -6.117 4.102 4.476 1.00 8.63 N ATOM 1055 CZ ARG A 72 -6.152 2.899 5.042 1.00 9.54 C ATOM 1056 NH1 ARG A 72 -6.367 2.782 6.346 1.00 10.19 N ATOM 1057 NH2 ARG A 72 -5.971 1.813 4.305 1.00 9.98 N ATOM 0 H ARG A 72 -6.911 7.842 2.193 1.00 5.45 H new ATOM 0 HA ARG A 72 -9.628 6.846 2.316 1.00 6.44 H new ATOM 0 HB2 ARG A 72 -8.743 5.562 4.244 1.00 7.19 H new ATOM 0 HB3 ARG A 72 -7.790 5.337 2.790 1.00 7.19 H new ATOM 0 HG2 ARG A 72 -6.027 6.745 3.607 1.00 7.48 H new ATOM 0 HG3 ARG A 72 -7.018 7.354 4.918 1.00 7.48 H new ATOM 0 HD2 ARG A 72 -5.373 5.645 5.677 1.00 8.35 H new ATOM 0 HD3 ARG A 72 -7.030 5.184 6.017 1.00 8.35 H new ATOM 0 HE ARG A 72 -5.944 4.157 3.472 1.00 8.63 H new ATOM 0 HH11 ARG A 72 -6.506 3.616 6.917 1.00 10.19 H new ATOM 0 HH12 ARG A 72 -6.393 1.858 6.778 1.00 10.19 H new ATOM 0 HH21 ARG A 72 -5.805 1.899 3.302 1.00 9.98 H new ATOM 0 HH22 ARG A 72 -5.998 0.891 4.740 1.00 9.98 H new ATOM 1071 N PRO A 73 -10.604 7.983 4.389 1.00 7.88 N ATOM 1072 CA PRO A 73 -11.232 8.824 5.411 1.00 8.80 C ATOM 1073 C PRO A 73 -10.707 8.526 6.813 1.00 9.54 C ATOM 1074 O PRO A 73 -9.720 9.173 7.223 1.00 9.91 O ATOM 1075 CB PRO A 73 -12.713 8.463 5.303 1.00 9.55 C ATOM 1076 CG PRO A 73 -12.723 7.063 4.795 1.00 9.27 C ATOM 1077 CD PRO A 73 -11.520 6.931 3.901 1.00 8.18 C ATOM 1078 OXT PRO A 73 -11.287 7.649 7.488 1.00 9.93 O ATOM 0 HA PRO A 73 -11.025 9.882 5.253 1.00 8.80 H new ATOM 0 HB2 PRO A 73 -13.211 8.537 6.270 1.00 9.55 H new ATOM 0 HB3 PRO A 73 -13.236 9.135 4.623 1.00 9.55 H new ATOM 0 HG2 PRO A 73 -12.676 6.350 5.618 1.00 9.27 H new ATOM 0 HG3 PRO A 73 -13.641 6.855 4.245 1.00 9.27 H new ATOM 0 HD2 PRO A 73 -11.070 5.941 3.978 1.00 8.18 H new ATOM 0 HD3 PRO A 73 -11.781 7.082 2.853 1.00 8.18 H new TER 1086 PRO A 73