USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 641 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 73 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-5.2!) USER MOD Set 1.2: B 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.6!) USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.189 K(o=-1.6,f=-2.6) USER MOD Set 3.2: A 56 GLN : amide:sc= -1.46 K(o=-1.6,f=-5!) USER MOD Set 4.1: A 17 TYR OH : rot -101:sc= -0.4 USER MOD Set 4.2: A 83 SER OG : rot -104:sc= 0.151 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HD1:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.665 X(o=-0.66,f=-0.9) USER MOD Single : A 39 MET CE :methyl 148:sc= 0 (180deg=-0.186) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -4.8! C(o=-4.8!,f=-8.7!) USER MOD Single : A 69 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.021) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.5) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -164:sc= -0.632 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.03 USER MOD Single : B 108 LYS NZ :NH3+ 155:sc= -0.121 (180deg=-0.59) USER MOD ----------------------------------------------------------------- ATOM 28 N MET A 4 -3.278 16.399 -3.595 1.00 1.28 N ATOM 29 CA MET A 4 -3.248 16.498 -5.048 1.00 1.37 C ATOM 30 C MET A 4 -3.932 15.291 -5.680 1.00 1.38 C ATOM 31 O MET A 4 -4.835 15.437 -6.508 1.00 1.57 O ATOM 32 CB MET A 4 -1.805 16.608 -5.549 1.00 1.36 C ATOM 33 CG MET A 4 -1.695 16.698 -7.062 1.00 1.51 C ATOM 34 SD MET A 4 -2.556 18.133 -7.736 1.00 1.75 S ATOM 35 CE MET A 4 -2.508 17.752 -9.484 1.00 1.95 C ATOM 0 HA MET A 4 -3.788 17.398 -5.340 1.00 1.37 H new ATOM 0 HB2 MET A 4 -1.341 17.489 -5.106 1.00 1.36 H new ATOM 0 HB3 MET A 4 -1.241 15.742 -5.202 1.00 1.36 H new ATOM 0 HG2 MET A 4 -0.643 16.745 -7.344 1.00 1.51 H new ATOM 0 HG3 MET A 4 -2.104 15.791 -7.507 1.00 1.51 H new ATOM 0 HE1 MET A 4 -3.002 18.546 -10.043 1.00 1.95 H new ATOM 0 HE2 MET A 4 -1.471 17.669 -9.810 1.00 1.95 H new ATOM 0 HE3 MET A 4 -3.021 16.808 -9.665 1.00 1.95 H new ATOM 45 N ARG A 5 -3.503 14.102 -5.277 1.00 1.21 N ATOM 46 CA ARG A 5 -4.067 12.865 -5.802 1.00 1.23 C ATOM 47 C ARG A 5 -5.307 12.458 -5.016 1.00 1.21 C ATOM 48 O ARG A 5 -5.287 12.429 -3.784 1.00 1.14 O ATOM 49 CB ARG A 5 -3.042 11.730 -5.743 1.00 1.15 C ATOM 50 CG ARG A 5 -1.996 11.769 -6.847 1.00 1.23 C ATOM 51 CD ARG A 5 -0.900 12.772 -6.543 1.00 1.22 C ATOM 52 NE ARG A 5 0.199 12.699 -7.504 1.00 1.29 N ATOM 53 CZ ARG A 5 1.404 13.222 -7.291 1.00 1.34 C ATOM 54 NH1 ARG A 5 1.671 13.829 -6.139 1.00 1.32 N ATOM 55 NH2 ARG A 5 2.344 13.135 -8.225 1.00 1.48 N ATOM 0 H ARG A 5 -2.764 13.968 -4.586 1.00 1.21 H new ATOM 0 HA ARG A 5 -4.343 13.047 -6.841 1.00 1.23 H new ATOM 0 HB2 ARG A 5 -2.536 11.764 -4.778 1.00 1.15 H new ATOM 0 HB3 ARG A 5 -3.570 10.778 -5.793 1.00 1.15 H new ATOM 0 HG2 ARG A 5 -1.559 10.778 -6.970 1.00 1.23 H new ATOM 0 HG3 ARG A 5 -2.474 12.026 -7.792 1.00 1.23 H new ATOM 0 HD2 ARG A 5 -1.319 13.778 -6.549 1.00 1.22 H new ATOM 0 HD3 ARG A 5 -0.515 12.593 -5.539 1.00 1.22 H new ATOM 0 HE ARG A 5 0.033 12.220 -8.389 1.00 1.29 H new ATOM 0 HH11 ARG A 5 0.952 13.894 -5.418 1.00 1.32 H new ATOM 0 HH12 ARG A 5 2.595 14.230 -5.976 1.00 1.32 H new ATOM 0 HH21 ARG A 5 2.143 12.666 -9.108 1.00 1.48 H new ATOM 0 HH22 ARG A 5 3.267 13.537 -8.059 1.00 1.48 H new ATOM 69 N PRO A 6 -6.405 12.151 -5.717 1.00 1.28 N ATOM 70 CA PRO A 6 -7.656 11.730 -5.082 1.00 1.28 C ATOM 71 C PRO A 6 -7.543 10.331 -4.477 1.00 1.20 C ATOM 72 O PRO A 6 -7.124 9.385 -5.154 1.00 1.19 O ATOM 73 CB PRO A 6 -8.654 11.745 -6.240 1.00 1.41 C ATOM 74 CG PRO A 6 -7.835 11.504 -7.443 1.00 1.43 C ATOM 75 CD PRO A 6 -6.526 12.194 -7.187 1.00 1.37 C ATOM 0 HA PRO A 6 -7.943 12.375 -4.252 1.00 1.28 H new ATOM 0 HB2 PRO A 6 -9.414 10.974 -6.118 1.00 1.41 H new ATOM 0 HB3 PRO A 6 -9.176 12.700 -6.301 1.00 1.41 H new ATOM 0 HG2 PRO A 6 -7.689 10.437 -7.610 1.00 1.43 H new ATOM 0 HG3 PRO A 6 -8.320 11.903 -8.334 1.00 1.43 H new ATOM 0 HD2 PRO A 6 -5.698 11.680 -7.675 1.00 1.37 H new ATOM 0 HD3 PRO A 6 -6.530 13.218 -7.561 1.00 1.37 H new ATOM 83 N PRO A 7 -7.890 10.179 -3.185 1.00 1.16 N ATOM 84 CA PRO A 7 -7.825 8.886 -2.513 1.00 1.08 C ATOM 85 C PRO A 7 -8.782 7.870 -3.110 1.00 1.12 C ATOM 86 O PRO A 7 -9.812 8.219 -3.685 1.00 1.23 O ATOM 87 CB PRO A 7 -8.234 9.185 -1.069 1.00 1.05 C ATOM 88 CG PRO A 7 -8.111 10.657 -0.913 1.00 1.12 C ATOM 89 CD PRO A 7 -8.351 11.243 -2.280 1.00 1.20 C ATOM 0 HA PRO A 7 -6.830 8.450 -2.608 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -9.254 8.855 -0.875 1.00 1.05 H new ATOM 0 HB3 PRO A 7 -7.589 8.661 -0.363 1.00 1.05 H new ATOM 0 HG2 PRO A 7 -8.838 11.035 -0.194 1.00 1.12 H new ATOM 0 HG3 PRO A 7 -7.123 10.928 -0.540 1.00 1.12 H new ATOM 0 HD2 PRO A 7 -9.403 11.479 -2.438 1.00 1.20 H new ATOM 0 HD3 PRO A 7 -7.792 12.167 -2.426 1.00 1.20 H new ATOM 97 N ILE A 8 -8.424 6.615 -2.962 1.00 1.04 N ATOM 98 CA ILE A 8 -9.221 5.517 -3.451 1.00 1.07 C ATOM 99 C ILE A 8 -10.142 5.026 -2.342 1.00 1.05 C ATOM 100 O ILE A 8 -9.743 4.190 -1.536 1.00 0.97 O ATOM 101 CB ILE A 8 -8.319 4.359 -3.911 1.00 1.04 C ATOM 102 CG1 ILE A 8 -7.218 4.872 -4.839 1.00 1.08 C ATOM 103 CG2 ILE A 8 -9.138 3.281 -4.594 1.00 1.09 C ATOM 104 CD1 ILE A 8 -7.682 5.181 -6.244 1.00 1.19 C ATOM 0 H ILE A 8 -7.564 6.327 -2.495 1.00 1.04 H new ATOM 0 HA ILE A 8 -9.811 5.864 -4.299 1.00 1.07 H new ATOM 0 HB ILE A 8 -7.848 3.921 -3.031 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -6.785 5.773 -4.406 1.00 1.08 H new ATOM 0 HG13 ILE A 8 -6.423 4.127 -4.887 1.00 1.08 H new ATOM 0 HG21 ILE A 8 -8.481 2.471 -4.912 1.00 1.09 H new ATOM 0 HG22 ILE A 8 -9.882 2.893 -3.898 1.00 1.09 H new ATOM 0 HG23 ILE A 8 -9.641 3.703 -5.464 1.00 1.09 H new ATOM 0 HD11 ILE A 8 -6.839 5.539 -6.835 1.00 1.19 H new ATOM 0 HD12 ILE A 8 -8.088 4.278 -6.700 1.00 1.19 H new ATOM 0 HD13 ILE A 8 -8.454 5.949 -6.211 1.00 1.19 H new ATOM 116 N ILE A 9 -11.343 5.591 -2.261 1.00 1.12 N ATOM 117 CA ILE A 9 -12.306 5.197 -1.245 1.00 1.12 C ATOM 118 C ILE A 9 -12.835 3.795 -1.540 1.00 1.13 C ATOM 119 O ILE A 9 -13.744 3.611 -2.353 1.00 1.21 O ATOM 120 CB ILE A 9 -13.490 6.190 -1.152 1.00 1.23 C ATOM 121 CG1 ILE A 9 -13.070 7.558 -0.603 1.00 1.23 C ATOM 122 CG2 ILE A 9 -14.584 5.620 -0.261 1.00 1.26 C ATOM 123 CD1 ILE A 9 -11.890 8.217 -1.280 1.00 1.20 C ATOM 0 H ILE A 9 -11.670 6.325 -2.890 1.00 1.12 H new ATOM 0 HA ILE A 9 -11.788 5.203 -0.286 1.00 1.12 H new ATOM 0 HB ILE A 9 -13.858 6.332 -2.168 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -13.924 8.231 -0.672 1.00 1.23 H new ATOM 0 HG13 ILE A 9 -12.838 7.445 0.456 1.00 1.23 H new ATOM 0 HG21 ILE A 9 -15.411 6.327 -0.203 1.00 1.26 H new ATOM 0 HG22 ILE A 9 -14.940 4.678 -0.679 1.00 1.26 H new ATOM 0 HG23 ILE A 9 -14.185 5.446 0.738 1.00 1.26 H new ATOM 0 HD11 ILE A 9 -11.688 9.177 -0.805 1.00 1.20 H new ATOM 0 HD12 ILE A 9 -11.013 7.576 -1.189 1.00 1.20 H new ATOM 0 HD13 ILE A 9 -12.117 8.374 -2.335 1.00 1.20 H new ATOM 135 N ILE A 10 -12.236 2.816 -0.893 1.00 1.03 N ATOM 136 CA ILE A 10 -12.603 1.428 -1.062 1.00 1.03 C ATOM 137 C ILE A 10 -13.595 0.977 -0.010 1.00 1.04 C ATOM 138 O ILE A 10 -13.355 1.107 1.190 1.00 0.99 O ATOM 139 CB ILE A 10 -11.358 0.538 -0.997 1.00 0.93 C ATOM 140 CG1 ILE A 10 -10.307 1.062 -1.962 1.00 0.93 C ATOM 141 CG2 ILE A 10 -11.714 -0.892 -1.336 1.00 0.94 C ATOM 142 CD1 ILE A 10 -8.921 0.512 -1.728 1.00 0.84 C ATOM 0 H ILE A 10 -11.475 2.964 -0.230 1.00 1.03 H new ATOM 0 HA ILE A 10 -13.075 1.335 -2.040 1.00 1.03 H new ATOM 0 HB ILE A 10 -10.957 0.560 0.016 1.00 0.93 H new ATOM 0 HG12 ILE A 10 -10.613 0.822 -2.980 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -10.272 2.149 -1.887 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -10.819 -1.512 -1.285 1.00 0.94 H new ATOM 0 HG22 ILE A 10 -12.452 -1.262 -0.624 1.00 0.94 H new ATOM 0 HG23 ILE A 10 -12.128 -0.935 -2.343 1.00 0.94 H new ATOM 0 HD11 ILE A 10 -8.233 0.937 -2.459 1.00 0.84 H new ATOM 0 HD12 ILE A 10 -8.590 0.774 -0.723 1.00 0.84 H new ATOM 0 HD13 ILE A 10 -8.938 -0.573 -1.833 1.00 0.84 H new ATOM 154 N HIS A 11 -14.713 0.464 -0.480 1.00 1.13 N ATOM 155 CA HIS A 11 -15.764 -0.040 0.380 1.00 1.17 C ATOM 156 C HIS A 11 -15.406 -1.432 0.897 1.00 1.10 C ATOM 157 O HIS A 11 -14.724 -2.198 0.214 1.00 1.08 O ATOM 158 CB HIS A 11 -17.067 -0.099 -0.412 1.00 1.31 C ATOM 159 CG HIS A 11 -17.591 1.238 -0.822 1.00 1.40 C ATOM 160 ND1 HIS A 11 -17.672 2.377 -0.106 1.00 1.57 N flip ATOM 161 CD2 HIS A 11 -18.084 1.463 -2.084 1.00 1.41 C flip ATOM 162 CE1 HIS A 11 -18.226 3.325 -0.926 1.00 1.64 C flip ATOM 163 NE2 HIS A 11 -18.456 2.731 -2.103 1.00 1.54 N flip ATOM 0 H HIS A 11 -14.920 0.384 -1.476 1.00 1.13 H new ATOM 0 HA HIS A 11 -15.881 0.625 1.235 1.00 1.17 H new ATOM 0 HB2 HIS A 11 -16.911 -0.705 -1.304 1.00 1.31 H new ATOM 0 HB3 HIS A 11 -17.823 -0.605 0.189 1.00 1.31 H new ATOM 0 HD2 HIS A 11 -18.153 0.751 -2.893 1.00 1.41 H new ATOM 0 HE1 HIS A 11 -18.436 4.353 -0.671 1.00 1.64 H new ATOM 0 HE2 HIS A 11 -18.866 3.198 -2.912 1.00 1.54 H new ATOM 171 N ARG A 12 -15.854 -1.747 2.103 1.00 1.10 N ATOM 172 CA ARG A 12 -15.601 -3.039 2.714 1.00 1.06 C ATOM 173 C ARG A 12 -16.296 -4.156 1.936 1.00 1.10 C ATOM 174 O ARG A 12 -17.409 -3.981 1.441 1.00 1.17 O ATOM 175 CB ARG A 12 -16.102 -3.015 4.158 1.00 1.08 C ATOM 176 CG ARG A 12 -17.563 -2.621 4.279 1.00 1.15 C ATOM 177 CD ARG A 12 -18.066 -2.831 5.689 1.00 1.20 C ATOM 178 NE ARG A 12 -19.456 -2.400 5.847 1.00 1.31 N ATOM 179 CZ ARG A 12 -19.939 -1.795 6.937 1.00 1.44 C ATOM 180 NH1 ARG A 12 -19.161 -1.597 7.999 1.00 1.51 N ATOM 181 NH2 ARG A 12 -21.207 -1.404 6.966 1.00 1.56 N ATOM 0 H ARG A 12 -16.403 -1.113 2.684 1.00 1.10 H new ATOM 0 HA ARG A 12 -14.529 -3.235 2.698 1.00 1.06 H new ATOM 0 HB2 ARG A 12 -15.961 -4.001 4.601 1.00 1.08 H new ATOM 0 HB3 ARG A 12 -15.495 -2.317 4.734 1.00 1.08 H new ATOM 0 HG2 ARG A 12 -17.686 -1.575 3.997 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -18.161 -3.211 3.584 1.00 1.15 H new ATOM 0 HD2 ARG A 12 -17.982 -3.886 5.950 1.00 1.20 H new ATOM 0 HD3 ARG A 12 -17.434 -2.279 6.385 1.00 1.20 H new ATOM 0 HE ARG A 12 -20.099 -2.573 5.074 1.00 1.31 H new ATOM 0 HH11 ARG A 12 -18.190 -1.908 7.985 1.00 1.51 H new ATOM 0 HH12 ARG A 12 -19.536 -1.135 8.827 1.00 1.51 H new ATOM 0 HH21 ARG A 12 -21.809 -1.565 6.159 1.00 1.56 H new ATOM 0 HH22 ARG A 12 -21.579 -0.942 7.796 1.00 1.56 H new ATOM 256 N TYR A 17 -10.430 -5.908 0.829 1.00 0.70 N ATOM 257 CA TYR A 17 -11.016 -4.702 0.258 1.00 0.74 C ATOM 258 C TYR A 17 -10.974 -4.819 -1.252 1.00 0.83 C ATOM 259 O TYR A 17 -11.376 -3.917 -1.982 1.00 0.92 O ATOM 260 CB TYR A 17 -10.241 -3.454 0.685 1.00 0.70 C ATOM 261 CG TYR A 17 -10.463 -3.045 2.119 1.00 0.66 C ATOM 262 CD1 TYR A 17 -11.496 -2.184 2.466 1.00 0.73 C ATOM 263 CD2 TYR A 17 -9.635 -3.513 3.121 1.00 0.60 C ATOM 264 CE1 TYR A 17 -11.691 -1.802 3.778 1.00 0.74 C ATOM 265 CE2 TYR A 17 -9.820 -3.144 4.432 1.00 0.61 C ATOM 266 CZ TYR A 17 -10.852 -2.286 4.759 1.00 0.69 C ATOM 267 OH TYR A 17 -11.038 -1.906 6.067 1.00 0.73 O ATOM 0 HA TYR A 17 -12.041 -4.605 0.615 1.00 0.74 H new ATOM 0 HB2 TYR A 17 -9.177 -3.631 0.531 1.00 0.70 H new ATOM 0 HB3 TYR A 17 -10.523 -2.626 0.035 1.00 0.70 H new ATOM 0 HD1 TYR A 17 -12.156 -1.808 1.698 1.00 0.73 H new ATOM 0 HD2 TYR A 17 -8.826 -4.182 2.869 1.00 0.60 H new ATOM 0 HE1 TYR A 17 -12.495 -1.128 4.034 1.00 0.74 H new ATOM 0 HE2 TYR A 17 -9.163 -3.522 5.201 1.00 0.61 H new ATOM 0 HH TYR A 17 -10.387 -1.212 6.302 1.00 0.73 H new ATOM 277 N GLY A 18 -10.462 -5.947 -1.713 1.00 0.83 N ATOM 278 CA GLY A 18 -10.357 -6.183 -3.124 1.00 0.95 C ATOM 279 C GLY A 18 -8.939 -6.090 -3.606 1.00 0.92 C ATOM 280 O GLY A 18 -8.698 -6.029 -4.807 1.00 1.03 O ATOM 0 H GLY A 18 -10.116 -6.705 -1.125 1.00 0.83 H new ATOM 0 HA2 GLY A 18 -10.755 -7.171 -3.357 1.00 0.95 H new ATOM 0 HA3 GLY A 18 -10.970 -5.458 -3.659 1.00 0.95 H new ATOM 284 N PHE A 19 -7.992 -6.052 -2.687 1.00 0.79 N ATOM 285 CA PHE A 19 -6.601 -5.970 -3.090 1.00 0.79 C ATOM 286 C PHE A 19 -5.632 -6.598 -2.102 1.00 0.72 C ATOM 287 O PHE A 19 -5.942 -6.886 -0.931 1.00 0.65 O ATOM 288 CB PHE A 19 -6.187 -4.524 -3.363 1.00 0.80 C ATOM 289 CG PHE A 19 -5.995 -3.671 -2.137 1.00 0.71 C ATOM 290 CD1 PHE A 19 -7.079 -3.123 -1.471 1.00 0.70 C ATOM 291 CD2 PHE A 19 -4.718 -3.401 -1.664 1.00 0.67 C ATOM 292 CE1 PHE A 19 -6.894 -2.323 -0.357 1.00 0.64 C ATOM 293 CE2 PHE A 19 -4.528 -2.605 -0.551 1.00 0.59 C ATOM 294 CZ PHE A 19 -5.617 -2.065 0.102 1.00 0.58 C ATOM 0 H PHE A 19 -8.154 -6.076 -1.680 1.00 0.79 H new ATOM 0 HA PHE A 19 -6.539 -6.554 -4.009 1.00 0.79 H new ATOM 0 HB2 PHE A 19 -5.257 -4.530 -3.931 1.00 0.80 H new ATOM 0 HB3 PHE A 19 -6.944 -4.059 -3.995 1.00 0.80 H new ATOM 0 HD1 PHE A 19 -8.080 -3.322 -1.825 1.00 0.70 H new ATOM 0 HD2 PHE A 19 -3.862 -3.819 -2.173 1.00 0.67 H new ATOM 0 HE1 PHE A 19 -7.747 -1.901 0.153 1.00 0.64 H new ATOM 0 HE2 PHE A 19 -3.529 -2.406 -0.193 1.00 0.59 H new ATOM 0 HZ PHE A 19 -5.471 -1.441 0.971 1.00 0.58 H new ATOM 304 N THR A 20 -4.442 -6.787 -2.627 1.00 0.76 N ATOM 305 CA THR A 20 -3.329 -7.361 -1.900 1.00 0.74 C ATOM 306 C THR A 20 -2.271 -6.299 -1.670 1.00 0.71 C ATOM 307 O THR A 20 -1.725 -5.737 -2.620 1.00 0.80 O ATOM 308 CB THR A 20 -2.699 -8.538 -2.675 1.00 0.87 C ATOM 309 OG1 THR A 20 -3.659 -9.596 -2.802 1.00 0.92 O ATOM 310 CG2 THR A 20 -1.434 -9.058 -1.988 1.00 0.89 C ATOM 0 H THR A 20 -4.215 -6.541 -3.591 1.00 0.76 H new ATOM 0 HA THR A 20 -3.706 -7.734 -0.948 1.00 0.74 H new ATOM 0 HB THR A 20 -2.412 -8.177 -3.663 1.00 0.87 H new ATOM 0 HG1 THR A 20 -3.260 -10.343 -3.296 1.00 0.92 H new ATOM 0 HG21 THR A 20 -1.021 -9.886 -2.564 1.00 0.89 H new ATOM 0 HG22 THR A 20 -0.698 -8.256 -1.926 1.00 0.89 H new ATOM 0 HG23 THR A 20 -1.681 -9.403 -0.984 1.00 0.89 H new ATOM 318 N LEU A 21 -1.993 -6.017 -0.418 1.00 0.61 N ATOM 319 CA LEU A 21 -0.997 -5.027 -0.076 1.00 0.60 C ATOM 320 C LEU A 21 0.338 -5.716 0.126 1.00 0.67 C ATOM 321 O LEU A 21 0.426 -6.724 0.831 1.00 0.65 O ATOM 322 CB LEU A 21 -1.411 -4.263 1.184 1.00 0.47 C ATOM 323 CG LEU A 21 -0.457 -3.147 1.621 1.00 0.47 C ATOM 324 CD1 LEU A 21 -0.213 -2.162 0.489 1.00 0.52 C ATOM 325 CD2 LEU A 21 -1.013 -2.427 2.836 1.00 0.39 C ATOM 0 H LEU A 21 -2.444 -6.460 0.383 1.00 0.61 H new ATOM 0 HA LEU A 21 -0.908 -4.305 -0.888 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -2.397 -3.830 1.018 1.00 0.47 H new ATOM 0 HB3 LEU A 21 -1.510 -4.975 2.004 1.00 0.47 H new ATOM 0 HG LEU A 21 0.498 -3.601 1.885 1.00 0.47 H new ATOM 0 HD11 LEU A 21 0.468 -1.381 0.827 1.00 0.52 H new ATOM 0 HD12 LEU A 21 0.228 -2.685 -0.360 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -1.159 -1.713 0.187 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -0.326 -1.636 3.137 1.00 0.39 H new ATOM 0 HD22 LEU A 21 -1.981 -1.992 2.589 1.00 0.39 H new ATOM 0 HD23 LEU A 21 -1.132 -3.135 3.656 1.00 0.39 H new ATOM 337 N ARG A 22 1.369 -5.205 -0.516 1.00 0.79 N ATOM 338 CA ARG A 22 2.687 -5.788 -0.398 1.00 0.89 C ATOM 339 C ARG A 22 3.715 -4.720 -0.082 1.00 0.90 C ATOM 340 O ARG A 22 3.745 -3.662 -0.710 1.00 0.94 O ATOM 341 CB ARG A 22 3.070 -6.520 -1.680 1.00 1.03 C ATOM 342 CG ARG A 22 2.284 -7.796 -1.924 1.00 1.03 C ATOM 343 CD ARG A 22 3.130 -8.820 -2.666 1.00 1.21 C ATOM 344 NE ARG A 22 4.416 -9.074 -2.011 1.00 1.31 N ATOM 345 CZ ARG A 22 5.515 -9.442 -2.667 1.00 1.47 C ATOM 346 NH1 ARG A 22 5.503 -9.529 -3.990 1.00 1.60 N ATOM 347 NH2 ARG A 22 6.630 -9.723 -2.005 1.00 1.66 N ATOM 0 H ARG A 22 1.318 -4.388 -1.124 1.00 0.79 H new ATOM 0 HA ARG A 22 2.666 -6.508 0.420 1.00 0.89 H new ATOM 0 HB2 ARG A 22 2.924 -5.849 -2.526 1.00 1.03 H new ATOM 0 HB3 ARG A 22 4.132 -6.762 -1.644 1.00 1.03 H new ATOM 0 HG2 ARG A 22 1.953 -8.212 -0.972 1.00 1.03 H new ATOM 0 HG3 ARG A 22 1.388 -7.571 -2.502 1.00 1.03 H new ATOM 0 HD2 ARG A 22 2.576 -9.755 -2.743 1.00 1.21 H new ATOM 0 HD3 ARG A 22 3.308 -8.470 -3.683 1.00 1.21 H new ATOM 0 HE ARG A 22 4.472 -8.963 -0.999 1.00 1.31 H new ATOM 0 HH11 ARG A 22 4.651 -9.314 -4.508 1.00 1.60 H new ATOM 0 HH12 ARG A 22 6.346 -9.811 -4.490 1.00 1.60 H new ATOM 0 HH21 ARG A 22 6.649 -9.658 -0.987 1.00 1.66 H new ATOM 0 HH22 ARG A 22 7.468 -10.004 -2.514 1.00 1.66 H new ATOM 361 N ALA A 23 4.543 -4.999 0.905 1.00 0.90 N ATOM 362 CA ALA A 23 5.582 -4.076 1.309 1.00 0.92 C ATOM 363 C ALA A 23 6.855 -4.363 0.531 1.00 1.06 C ATOM 364 O ALA A 23 7.593 -5.295 0.858 1.00 1.07 O ATOM 365 CB ALA A 23 5.829 -4.177 2.808 1.00 0.90 C ATOM 0 H ALA A 23 4.515 -5.864 1.445 1.00 0.90 H new ATOM 0 HA ALA A 23 5.260 -3.058 1.089 1.00 0.92 H new ATOM 0 HB1 ALA A 23 6.613 -3.477 3.096 1.00 0.90 H new ATOM 0 HB2 ALA A 23 4.912 -3.935 3.345 1.00 0.90 H new ATOM 0 HB3 ALA A 23 6.139 -5.192 3.058 1.00 0.90 H new ATOM 371 N ILE A 24 7.090 -3.581 -0.511 1.00 1.19 N ATOM 372 CA ILE A 24 8.269 -3.756 -1.343 1.00 1.33 C ATOM 373 C ILE A 24 9.465 -3.045 -0.728 1.00 1.38 C ATOM 374 O ILE A 24 9.323 -2.008 -0.077 1.00 1.29 O ATOM 375 CB ILE A 24 8.047 -3.258 -2.789 1.00 1.38 C ATOM 376 CG1 ILE A 24 7.565 -1.804 -2.805 1.00 1.29 C ATOM 377 CG2 ILE A 24 7.047 -4.155 -3.505 1.00 1.42 C ATOM 378 CD1 ILE A 24 7.801 -1.094 -4.125 1.00 1.35 C ATOM 0 H ILE A 24 6.478 -2.818 -0.801 1.00 1.19 H new ATOM 0 HA ILE A 24 8.467 -4.827 -1.391 1.00 1.33 H new ATOM 0 HB ILE A 24 9.002 -3.301 -3.313 1.00 1.38 H new ATOM 0 HG12 ILE A 24 6.499 -1.782 -2.577 1.00 1.29 H new ATOM 0 HG13 ILE A 24 8.072 -1.254 -2.012 1.00 1.29 H new ATOM 0 HG21 ILE A 24 6.898 -3.794 -4.523 1.00 1.42 H new ATOM 0 HG22 ILE A 24 7.429 -5.175 -3.534 1.00 1.42 H new ATOM 0 HG23 ILE A 24 6.096 -4.138 -2.972 1.00 1.42 H new ATOM 0 HD11 ILE A 24 7.433 -0.070 -4.058 1.00 1.35 H new ATOM 0 HD12 ILE A 24 8.868 -1.083 -4.346 1.00 1.35 H new ATOM 0 HD13 ILE A 24 7.271 -1.618 -4.920 1.00 1.35 H new ATOM 561 N VAL A 36 11.215 0.996 2.586 1.00 1.22 N ATOM 562 CA VAL A 36 10.077 0.100 2.480 1.00 1.15 C ATOM 563 C VAL A 36 8.862 0.870 1.978 1.00 1.08 C ATOM 564 O VAL A 36 8.409 1.824 2.612 1.00 1.07 O ATOM 565 CB VAL A 36 9.764 -0.601 3.828 1.00 1.11 C ATOM 566 CG1 VAL A 36 9.820 0.387 4.984 1.00 1.09 C ATOM 567 CG2 VAL A 36 8.414 -1.305 3.775 1.00 1.04 C ATOM 0 HA VAL A 36 10.329 -0.683 1.765 1.00 1.15 H new ATOM 0 HB VAL A 36 10.530 -1.357 3.998 1.00 1.11 H new ATOM 0 HG11 VAL A 36 9.597 -0.131 5.917 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.817 0.824 5.041 1.00 1.09 H new ATOM 0 HG13 VAL A 36 9.086 1.177 4.823 1.00 1.09 H new ATOM 0 HG21 VAL A 36 8.218 -1.789 4.732 1.00 1.04 H new ATOM 0 HG22 VAL A 36 7.631 -0.575 3.570 1.00 1.04 H new ATOM 0 HG23 VAL A 36 8.426 -2.056 2.985 1.00 1.04 H new ATOM 577 N HIS A 37 8.367 0.474 0.819 1.00 1.06 N ATOM 578 CA HIS A 37 7.220 1.127 0.220 1.00 1.01 C ATOM 579 C HIS A 37 6.003 0.221 0.282 1.00 0.93 C ATOM 580 O HIS A 37 6.110 -0.997 0.138 1.00 0.97 O ATOM 581 CB HIS A 37 7.503 1.503 -1.235 1.00 1.10 C ATOM 582 CG HIS A 37 8.686 2.408 -1.423 1.00 1.18 C ATOM 583 ND1 HIS A 37 8.562 3.776 -1.363 1.00 1.25 N ATOM 584 CD2 HIS A 37 9.979 2.092 -1.682 1.00 1.26 C ATOM 585 CE1 HIS A 37 9.769 4.259 -1.587 1.00 1.33 C ATOM 586 NE2 HIS A 37 10.661 3.278 -1.785 1.00 1.34 N ATOM 0 H HIS A 37 8.744 -0.300 0.273 1.00 1.06 H new ATOM 0 HA HIS A 37 7.021 2.038 0.785 1.00 1.01 H new ATOM 0 HB2 HIS A 37 7.664 0.590 -1.809 1.00 1.10 H new ATOM 0 HB3 HIS A 37 6.620 1.988 -1.650 1.00 1.10 H new ATOM 0 HD2 HIS A 37 10.392 1.100 -1.787 1.00 1.26 H new ATOM 0 HE1 HIS A 37 10.008 5.312 -1.608 1.00 1.33 H new ATOM 0 HE2 HIS A 37 11.657 3.392 -1.976 1.00 1.34 H new ATOM 594 N HIS A 38 4.852 0.823 0.490 1.00 0.82 N ATOM 595 CA HIS A 38 3.609 0.080 0.568 1.00 0.74 C ATOM 596 C HIS A 38 2.886 0.177 -0.767 1.00 0.78 C ATOM 597 O HIS A 38 2.266 1.195 -1.087 1.00 0.77 O ATOM 598 CB HIS A 38 2.739 0.604 1.715 1.00 0.62 C ATOM 599 CG HIS A 38 3.432 0.564 3.045 1.00 0.59 C ATOM 600 ND1 HIS A 38 3.653 -0.622 3.706 1.00 0.60 N ATOM 601 CD2 HIS A 38 3.958 1.581 3.773 1.00 0.59 C ATOM 602 CE1 HIS A 38 4.308 -0.303 4.810 1.00 0.61 C ATOM 603 NE2 HIS A 38 4.515 1.019 4.895 1.00 0.60 N ATOM 0 H HIS A 38 4.749 1.831 0.609 1.00 0.82 H new ATOM 0 HA HIS A 38 3.821 -0.969 0.777 1.00 0.74 H new ATOM 0 HB2 HIS A 38 2.441 1.630 1.498 1.00 0.62 H new ATOM 0 HB3 HIS A 38 1.826 0.012 1.770 1.00 0.62 H new ATOM 0 HD2 HIS A 38 3.942 2.631 3.519 1.00 0.59 H new ATOM 0 HE1 HIS A 38 4.635 -1.018 5.550 1.00 0.61 H new ATOM 0 HE2 HIS A 38 4.994 1.512 5.648 1.00 0.60 H new ATOM 611 N MET A 39 2.982 -0.881 -1.550 1.00 0.84 N ATOM 612 CA MET A 39 2.376 -0.902 -2.866 1.00 0.91 C ATOM 613 C MET A 39 1.347 -2.009 -2.999 1.00 0.88 C ATOM 614 O MET A 39 1.558 -3.134 -2.547 1.00 0.87 O ATOM 615 CB MET A 39 3.463 -1.081 -3.935 1.00 1.05 C ATOM 616 CG MET A 39 2.918 -1.411 -5.321 1.00 1.11 C ATOM 617 SD MET A 39 3.277 -3.103 -5.840 1.00 1.16 S ATOM 618 CE MET A 39 4.826 -2.869 -6.703 1.00 1.33 C ATOM 0 H MET A 39 3.475 -1.737 -1.296 1.00 0.84 H new ATOM 0 HA MET A 39 1.863 0.049 -3.008 1.00 0.91 H new ATOM 0 HB2 MET A 39 4.053 -0.167 -3.996 1.00 1.05 H new ATOM 0 HB3 MET A 39 4.139 -1.877 -3.622 1.00 1.05 H new ATOM 0 HG2 MET A 39 1.839 -1.257 -5.327 1.00 1.11 H new ATOM 0 HG3 MET A 39 3.343 -0.717 -6.046 1.00 1.11 H new ATOM 0 HE1 MET A 39 5.444 -3.759 -6.589 1.00 1.33 H new ATOM 0 HE2 MET A 39 4.630 -2.696 -7.761 1.00 1.33 H new ATOM 0 HE3 MET A 39 5.349 -2.008 -6.286 1.00 1.33 H new ATOM 628 N VAL A 40 0.211 -1.666 -3.585 1.00 0.87 N ATOM 629 CA VAL A 40 -0.827 -2.639 -3.848 1.00 0.87 C ATOM 630 C VAL A 40 -0.308 -3.556 -4.951 1.00 1.00 C ATOM 631 O VAL A 40 -0.032 -3.110 -6.062 1.00 1.10 O ATOM 632 CB VAL A 40 -2.154 -1.958 -4.259 1.00 0.87 C ATOM 633 CG1 VAL A 40 -1.889 -0.683 -5.041 1.00 0.94 C ATOM 634 CG2 VAL A 40 -3.034 -2.900 -5.065 1.00 0.93 C ATOM 0 H VAL A 40 -0.012 -0.718 -3.887 1.00 0.87 H new ATOM 0 HA VAL A 40 -1.050 -3.210 -2.947 1.00 0.87 H new ATOM 0 HB VAL A 40 -2.686 -1.699 -3.344 1.00 0.87 H new ATOM 0 HG11 VAL A 40 -2.837 -0.223 -5.319 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -1.316 0.010 -4.424 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.323 -0.920 -5.942 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -3.958 -2.391 -5.338 1.00 0.93 H new ATOM 0 HG22 VAL A 40 -2.508 -3.205 -5.969 1.00 0.93 H new ATOM 0 HG23 VAL A 40 -3.268 -3.780 -4.467 1.00 0.93 H new ATOM 644 N TRP A 41 -0.163 -4.824 -4.633 1.00 1.00 N ATOM 645 CA TRP A 41 0.400 -5.787 -5.562 1.00 1.13 C ATOM 646 C TRP A 41 -0.615 -6.305 -6.568 1.00 1.19 C ATOM 647 O TRP A 41 -0.269 -6.561 -7.724 1.00 1.30 O ATOM 648 CB TRP A 41 1.001 -6.947 -4.776 1.00 1.14 C ATOM 649 CG TRP A 41 1.693 -7.963 -5.630 1.00 1.32 C ATOM 650 CD1 TRP A 41 1.256 -9.220 -5.930 1.00 1.39 C ATOM 651 CD2 TRP A 41 2.958 -7.808 -6.283 1.00 1.46 C ATOM 652 NE1 TRP A 41 2.169 -9.852 -6.736 1.00 1.56 N ATOM 653 CE2 TRP A 41 3.222 -9.007 -6.969 1.00 1.61 C ATOM 654 CE3 TRP A 41 3.890 -6.769 -6.357 1.00 1.50 C ATOM 655 CZ2 TRP A 41 4.381 -9.196 -7.719 1.00 1.78 C ATOM 656 CZ3 TRP A 41 5.041 -6.957 -7.100 1.00 1.69 C ATOM 657 CH2 TRP A 41 5.277 -8.162 -7.774 1.00 1.82 C ATOM 0 H TRP A 41 -0.429 -5.217 -3.730 1.00 1.00 H new ATOM 0 HA TRP A 41 1.171 -5.276 -6.138 1.00 1.13 H new ATOM 0 HB2 TRP A 41 1.712 -6.552 -4.050 1.00 1.14 H new ATOM 0 HB3 TRP A 41 0.209 -7.440 -4.211 1.00 1.14 H new ATOM 0 HD1 TRP A 41 0.329 -9.653 -5.584 1.00 1.39 H new ATOM 0 HE1 TRP A 41 2.078 -10.799 -7.103 1.00 1.56 H new ATOM 0 HE3 TRP A 41 3.714 -5.836 -5.843 1.00 1.50 H new ATOM 0 HZ2 TRP A 41 4.566 -10.125 -8.238 1.00 1.78 H new ATOM 0 HZ3 TRP A 41 5.770 -6.162 -7.162 1.00 1.69 H new ATOM 0 HH2 TRP A 41 6.184 -8.278 -8.349 1.00 1.82 H new ATOM 668 N HIS A 42 -1.857 -6.456 -6.144 1.00 1.12 N ATOM 669 CA HIS A 42 -2.894 -6.969 -7.027 1.00 1.19 C ATOM 670 C HIS A 42 -4.260 -6.461 -6.597 1.00 1.12 C ATOM 671 O HIS A 42 -4.480 -6.167 -5.421 1.00 1.01 O ATOM 672 CB HIS A 42 -2.862 -8.509 -6.996 1.00 1.23 C ATOM 673 CG HIS A 42 -3.746 -9.184 -8.003 1.00 1.31 C ATOM 674 ND1 HIS A 42 -5.100 -9.309 -7.800 1.00 1.33 N ATOM 675 CD2 HIS A 42 -3.423 -9.760 -9.186 1.00 1.40 C ATOM 676 CE1 HIS A 42 -5.567 -9.952 -8.857 1.00 1.42 C ATOM 677 NE2 HIS A 42 -4.586 -10.244 -9.721 1.00 1.46 N ATOM 0 H HIS A 42 -2.173 -6.233 -5.200 1.00 1.12 H new ATOM 0 HA HIS A 42 -2.709 -6.620 -8.043 1.00 1.19 H new ATOM 0 HB2 HIS A 42 -1.836 -8.839 -7.157 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -3.151 -8.843 -6.000 1.00 1.23 H new ATOM 0 HD2 HIS A 42 -2.437 -9.825 -9.623 1.00 1.40 H new ATOM 0 HE1 HIS A 42 -6.606 -10.209 -9.005 1.00 1.42 H new ATOM 0 HE2 HIS A 42 -4.687 -10.734 -10.610 1.00 1.46 H new ATOM 685 N VAL A 43 -5.158 -6.339 -7.565 1.00 1.20 N ATOM 686 CA VAL A 43 -6.516 -5.890 -7.313 1.00 1.18 C ATOM 687 C VAL A 43 -7.499 -6.883 -7.927 1.00 1.24 C ATOM 688 O VAL A 43 -7.432 -7.171 -9.124 1.00 1.37 O ATOM 689 CB VAL A 43 -6.782 -4.484 -7.899 1.00 1.21 C ATOM 690 CG1 VAL A 43 -8.184 -4.015 -7.549 1.00 1.20 C ATOM 691 CG2 VAL A 43 -5.749 -3.482 -7.406 1.00 1.14 C ATOM 0 H VAL A 43 -4.964 -6.549 -8.544 1.00 1.20 H new ATOM 0 HA VAL A 43 -6.651 -5.833 -6.233 1.00 1.18 H new ATOM 0 HB VAL A 43 -6.699 -4.552 -8.984 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -8.352 -3.024 -7.970 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -8.914 -4.712 -7.960 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -8.293 -3.972 -6.465 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -5.960 -2.502 -7.834 1.00 1.14 H new ATOM 0 HG22 VAL A 43 -5.792 -3.420 -6.319 1.00 1.14 H new ATOM 0 HG23 VAL A 43 -4.754 -3.805 -7.712 1.00 1.14 H new ATOM 701 N GLU A 44 -8.386 -7.421 -7.099 1.00 1.17 N ATOM 702 CA GLU A 44 -9.378 -8.376 -7.531 1.00 1.23 C ATOM 703 C GLU A 44 -10.268 -7.789 -8.622 1.00 1.34 C ATOM 704 O GLU A 44 -10.805 -6.687 -8.473 1.00 1.35 O ATOM 705 CB GLU A 44 -10.229 -8.780 -6.335 1.00 1.16 C ATOM 706 CG GLU A 44 -9.433 -9.208 -5.107 1.00 1.11 C ATOM 707 CD GLU A 44 -8.629 -10.474 -5.321 1.00 1.19 C ATOM 708 OE1 GLU A 44 -9.023 -11.308 -6.162 1.00 1.17 O ATOM 709 OE2 GLU A 44 -7.596 -10.640 -4.641 1.00 1.54 O ATOM 0 H GLU A 44 -8.431 -7.200 -6.104 1.00 1.17 H new ATOM 0 HA GLU A 44 -8.870 -9.248 -7.944 1.00 1.23 H new ATOM 0 HB2 GLU A 44 -10.871 -7.942 -6.062 1.00 1.16 H new ATOM 0 HB3 GLU A 44 -10.884 -9.599 -6.631 1.00 1.16 H new ATOM 0 HG2 GLU A 44 -8.757 -8.401 -4.822 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -10.119 -9.359 -4.273 1.00 1.11 H new ATOM 716 N ASP A 45 -10.420 -8.528 -9.714 1.00 1.44 N ATOM 717 CA ASP A 45 -11.249 -8.091 -10.833 1.00 1.55 C ATOM 718 C ASP A 45 -12.692 -7.935 -10.381 1.00 1.55 C ATOM 719 O ASP A 45 -13.328 -8.906 -9.965 1.00 1.60 O ATOM 720 CB ASP A 45 -11.173 -9.088 -11.995 1.00 1.69 C ATOM 721 CG ASP A 45 -9.843 -9.050 -12.715 1.00 1.81 C ATOM 722 OD1 ASP A 45 -8.907 -9.748 -12.275 1.00 1.92 O ATOM 723 OD2 ASP A 45 -9.726 -8.320 -13.722 1.00 1.94 O ATOM 0 H ASP A 45 -9.978 -9.437 -9.850 1.00 1.44 H new ATOM 0 HA ASP A 45 -10.872 -7.129 -11.180 1.00 1.55 H new ATOM 0 HB2 ASP A 45 -11.347 -10.095 -11.616 1.00 1.69 H new ATOM 0 HB3 ASP A 45 -11.971 -8.873 -12.705 1.00 1.69 H new ATOM 728 N GLY A 46 -13.201 -6.715 -10.448 1.00 1.54 N ATOM 729 CA GLY A 46 -14.561 -6.459 -10.030 1.00 1.56 C ATOM 730 C GLY A 46 -14.667 -6.287 -8.529 1.00 1.46 C ATOM 731 O GLY A 46 -15.763 -6.291 -7.972 1.00 1.49 O ATOM 0 H GLY A 46 -12.695 -5.896 -10.785 1.00 1.54 H new ATOM 0 HA2 GLY A 46 -14.930 -5.561 -10.525 1.00 1.56 H new ATOM 0 HA3 GLY A 46 -15.200 -7.283 -10.347 1.00 1.56 H new ATOM 735 N GLY A 47 -13.520 -6.144 -7.875 1.00 1.37 N ATOM 736 CA GLY A 47 -13.498 -5.970 -6.438 1.00 1.28 C ATOM 737 C GLY A 47 -13.767 -4.532 -6.044 1.00 1.27 C ATOM 738 O GLY A 47 -13.766 -3.651 -6.901 1.00 1.33 O ATOM 0 H GLY A 47 -12.602 -6.146 -8.319 1.00 1.37 H new ATOM 0 HA2 GLY A 47 -14.246 -6.618 -5.981 1.00 1.28 H new ATOM 0 HA3 GLY A 47 -12.528 -6.279 -6.049 1.00 1.28 H new ATOM 742 N PRO A 48 -13.959 -4.258 -4.748 1.00 1.20 N ATOM 743 CA PRO A 48 -14.250 -2.912 -4.244 1.00 1.20 C ATOM 744 C PRO A 48 -13.161 -1.931 -4.606 1.00 1.16 C ATOM 745 O PRO A 48 -13.421 -0.835 -5.089 1.00 1.21 O ATOM 746 CB PRO A 48 -14.276 -3.123 -2.731 1.00 1.13 C ATOM 747 CG PRO A 48 -14.637 -4.536 -2.574 1.00 1.13 C ATOM 748 CD PRO A 48 -13.877 -5.228 -3.647 1.00 1.13 C ATOM 0 HA PRO A 48 -15.169 -2.498 -4.658 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -13.307 -2.907 -2.281 1.00 1.13 H new ATOM 0 HB3 PRO A 48 -15.004 -2.470 -2.250 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -14.363 -4.910 -1.587 1.00 1.13 H new ATOM 0 HG3 PRO A 48 -15.711 -4.687 -2.685 1.00 1.13 H new ATOM 0 HD2 PRO A 48 -12.846 -5.428 -3.354 1.00 1.13 H new ATOM 0 HD3 PRO A 48 -14.324 -6.186 -3.912 1.00 1.13 H new ATOM 756 N ALA A 49 -11.936 -2.345 -4.356 1.00 1.09 N ATOM 757 CA ALA A 49 -10.774 -1.519 -4.658 1.00 1.06 C ATOM 758 C ALA A 49 -10.700 -1.208 -6.142 1.00 1.16 C ATOM 759 O ALA A 49 -10.350 -0.096 -6.539 1.00 1.19 O ATOM 760 CB ALA A 49 -9.489 -2.192 -4.198 1.00 0.97 C ATOM 0 H ALA A 49 -11.714 -3.251 -3.943 1.00 1.09 H new ATOM 0 HA ALA A 49 -10.886 -0.582 -4.113 1.00 1.06 H new ATOM 0 HB1 ALA A 49 -8.638 -1.553 -4.436 1.00 0.97 H new ATOM 0 HB2 ALA A 49 -9.529 -2.356 -3.121 1.00 0.97 H new ATOM 0 HB3 ALA A 49 -9.377 -3.149 -4.707 1.00 0.97 H new ATOM 766 N SER A 50 -11.051 -2.190 -6.954 1.00 1.23 N ATOM 767 CA SER A 50 -11.041 -2.033 -8.397 1.00 1.34 C ATOM 768 C SER A 50 -12.073 -0.998 -8.806 1.00 1.40 C ATOM 769 O SER A 50 -11.858 -0.210 -9.726 1.00 1.46 O ATOM 770 CB SER A 50 -11.378 -3.367 -9.054 1.00 1.41 C ATOM 771 OG SER A 50 -10.698 -3.522 -10.286 1.00 1.45 O ATOM 0 H SER A 50 -11.349 -3.112 -6.634 1.00 1.23 H new ATOM 0 HA SER A 50 -10.052 -1.705 -8.717 1.00 1.34 H new ATOM 0 HB2 SER A 50 -11.109 -4.183 -8.383 1.00 1.41 H new ATOM 0 HB3 SER A 50 -12.453 -3.431 -9.220 1.00 1.41 H new ATOM 0 HG SER A 50 -10.933 -4.387 -10.683 1.00 1.45 H new ATOM 777 N GLU A 51 -13.185 -1.010 -8.086 1.00 1.39 N ATOM 778 CA GLU A 51 -14.290 -0.097 -8.347 1.00 1.46 C ATOM 779 C GLU A 51 -14.003 1.278 -7.764 1.00 1.45 C ATOM 780 O GLU A 51 -14.588 2.281 -8.173 1.00 1.55 O ATOM 781 CB GLU A 51 -15.586 -0.659 -7.763 1.00 1.47 C ATOM 782 CG GLU A 51 -15.932 -2.038 -8.298 1.00 1.50 C ATOM 783 CD GLU A 51 -17.418 -2.308 -8.320 1.00 1.58 C ATOM 784 OE1 GLU A 51 -18.041 -2.345 -7.240 1.00 1.55 O ATOM 785 OE2 GLU A 51 -17.971 -2.490 -9.424 1.00 1.84 O ATOM 0 H GLU A 51 -13.347 -1.649 -7.308 1.00 1.39 H new ATOM 0 HA GLU A 51 -14.403 0.006 -9.426 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -15.497 -0.709 -6.678 1.00 1.47 H new ATOM 0 HB3 GLU A 51 -16.404 0.026 -7.985 1.00 1.47 H new ATOM 0 HG2 GLU A 51 -15.535 -2.140 -9.308 1.00 1.50 H new ATOM 0 HG3 GLU A 51 -15.440 -2.793 -7.685 1.00 1.50 H new ATOM 792 N ALA A 52 -13.112 1.305 -6.793 1.00 1.33 N ATOM 793 CA ALA A 52 -12.720 2.541 -6.150 1.00 1.31 C ATOM 794 C ALA A 52 -11.665 3.259 -6.981 1.00 1.34 C ATOM 795 O ALA A 52 -11.484 4.472 -6.860 1.00 1.36 O ATOM 796 CB ALA A 52 -12.216 2.256 -4.750 1.00 1.20 C ATOM 0 H ALA A 52 -12.642 0.476 -6.430 1.00 1.33 H new ATOM 0 HA ALA A 52 -13.587 3.197 -6.074 1.00 1.31 H new ATOM 0 HB1 ALA A 52 -11.923 3.190 -4.272 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -13.007 1.783 -4.168 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -11.355 1.589 -4.802 1.00 1.20 H new ATOM 802 N GLY A 53 -10.969 2.500 -7.823 1.00 1.35 N ATOM 803 CA GLY A 53 -9.957 3.079 -8.678 1.00 1.39 C ATOM 804 C GLY A 53 -8.541 2.657 -8.332 1.00 1.31 C ATOM 805 O GLY A 53 -7.585 3.167 -8.918 1.00 1.33 O ATOM 0 H GLY A 53 -11.091 1.493 -7.926 1.00 1.35 H new ATOM 0 HA2 GLY A 53 -10.166 2.801 -9.711 1.00 1.39 H new ATOM 0 HA3 GLY A 53 -10.026 4.165 -8.621 1.00 1.39 H new ATOM 809 N LEU A 54 -8.391 1.739 -7.384 1.00 1.22 N ATOM 810 CA LEU A 54 -7.069 1.275 -6.984 1.00 1.14 C ATOM 811 C LEU A 54 -6.450 0.424 -8.080 1.00 1.21 C ATOM 812 O LEU A 54 -7.100 -0.448 -8.657 1.00 1.26 O ATOM 813 CB LEU A 54 -7.141 0.466 -5.691 1.00 1.04 C ATOM 814 CG LEU A 54 -6.140 0.869 -4.598 1.00 0.94 C ATOM 815 CD1 LEU A 54 -5.924 -0.275 -3.623 1.00 0.85 C ATOM 816 CD2 LEU A 54 -4.817 1.303 -5.200 1.00 0.96 C ATOM 0 H LEU A 54 -9.164 1.304 -6.881 1.00 1.22 H new ATOM 0 HA LEU A 54 -6.446 2.153 -6.814 1.00 1.14 H new ATOM 0 HB2 LEU A 54 -8.149 0.553 -5.285 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -6.984 -0.585 -5.932 1.00 1.04 H new ATOM 0 HG LEU A 54 -6.561 1.716 -4.056 1.00 0.94 H new ATOM 0 HD11 LEU A 54 -5.212 0.030 -2.856 1.00 0.85 H new ATOM 0 HD12 LEU A 54 -6.872 -0.537 -3.154 1.00 0.85 H new ATOM 0 HD13 LEU A 54 -5.533 -1.140 -4.158 1.00 0.85 H new ATOM 0 HD21 LEU A 54 -4.129 1.582 -4.402 1.00 0.96 H new ATOM 0 HD22 LEU A 54 -4.392 0.480 -5.775 1.00 0.96 H new ATOM 0 HD23 LEU A 54 -4.979 2.158 -5.856 1.00 0.96 H new ATOM 828 N ARG A 55 -5.195 0.703 -8.362 1.00 1.21 N ATOM 829 CA ARG A 55 -4.447 -0.017 -9.378 1.00 1.28 C ATOM 830 C ARG A 55 -3.208 -0.653 -8.769 1.00 1.23 C ATOM 831 O ARG A 55 -2.515 -0.027 -7.969 1.00 1.18 O ATOM 832 CB ARG A 55 -4.048 0.938 -10.499 1.00 1.36 C ATOM 833 CG ARG A 55 -5.191 1.821 -10.961 1.00 1.41 C ATOM 834 CD ARG A 55 -6.101 1.090 -11.932 1.00 1.51 C ATOM 835 NE ARG A 55 -7.408 1.729 -12.044 1.00 1.57 N ATOM 836 CZ ARG A 55 -8.566 1.088 -11.886 1.00 1.58 C ATOM 837 NH1 ARG A 55 -8.584 -0.212 -11.598 1.00 1.55 N ATOM 838 NH2 ARG A 55 -9.710 1.751 -12.009 1.00 1.68 N ATOM 0 H ARG A 55 -4.662 1.436 -7.894 1.00 1.21 H new ATOM 0 HA ARG A 55 -5.077 -0.806 -9.788 1.00 1.28 H new ATOM 0 HB2 ARG A 55 -3.226 1.567 -10.157 1.00 1.36 H new ATOM 0 HB3 ARG A 55 -3.677 0.361 -11.346 1.00 1.36 H new ATOM 0 HG2 ARG A 55 -5.769 2.152 -10.098 1.00 1.41 H new ATOM 0 HG3 ARG A 55 -4.791 2.716 -11.438 1.00 1.41 H new ATOM 0 HD2 ARG A 55 -5.629 1.055 -12.914 1.00 1.51 H new ATOM 0 HD3 ARG A 55 -6.229 0.059 -11.603 1.00 1.51 H new ATOM 0 HE ARG A 55 -7.437 2.726 -12.256 1.00 1.57 H new ATOM 0 HH11 ARG A 55 -7.708 -0.724 -11.497 1.00 1.55 H new ATOM 0 HH12 ARG A 55 -9.474 -0.696 -11.479 1.00 1.55 H new ATOM 0 HH21 ARG A 55 -9.701 2.748 -12.224 1.00 1.68 H new ATOM 0 HH22 ARG A 55 -10.598 1.263 -11.889 1.00 1.68 H new ATOM 852 N GLN A 56 -2.943 -1.900 -9.127 1.00 1.29 N ATOM 853 CA GLN A 56 -1.776 -2.598 -8.603 1.00 1.27 C ATOM 854 C GLN A 56 -0.485 -2.066 -9.220 1.00 1.33 C ATOM 855 O GLN A 56 -0.359 -1.957 -10.442 1.00 1.41 O ATOM 856 CB GLN A 56 -1.861 -4.113 -8.804 1.00 1.34 C ATOM 857 CG GLN A 56 -2.817 -4.559 -9.876 1.00 1.40 C ATOM 858 CD GLN A 56 -2.352 -5.809 -10.588 1.00 1.53 C ATOM 859 OE1 GLN A 56 -2.674 -6.923 -10.186 1.00 1.56 O ATOM 860 NE2 GLN A 56 -1.589 -5.633 -11.652 1.00 1.78 N ATOM 0 H GLN A 56 -3.513 -2.447 -9.772 1.00 1.29 H new ATOM 0 HA GLN A 56 -1.763 -2.404 -7.531 1.00 1.27 H new ATOM 0 HB2 GLN A 56 -0.867 -4.489 -9.046 1.00 1.34 H new ATOM 0 HB3 GLN A 56 -2.155 -4.574 -7.861 1.00 1.34 H new ATOM 0 HG2 GLN A 56 -3.796 -4.741 -9.432 1.00 1.40 H new ATOM 0 HG3 GLN A 56 -2.942 -3.757 -10.603 1.00 1.40 H new ATOM 0 HE21 GLN A 56 -1.344 -4.690 -11.954 1.00 1.78 H new ATOM 0 HE22 GLN A 56 -1.245 -6.440 -12.172 1.00 1.78 H new ATOM 869 N GLY A 57 0.470 -1.744 -8.359 1.00 1.30 N ATOM 870 CA GLY A 57 1.745 -1.231 -8.812 1.00 1.37 C ATOM 871 C GLY A 57 1.915 0.249 -8.537 1.00 1.33 C ATOM 872 O GLY A 57 2.872 0.863 -9.006 1.00 1.39 O ATOM 0 H GLY A 57 0.382 -1.830 -7.346 1.00 1.30 H new ATOM 0 HA2 GLY A 57 2.548 -1.781 -8.321 1.00 1.37 H new ATOM 0 HA3 GLY A 57 1.844 -1.410 -9.883 1.00 1.37 H new ATOM 876 N ASP A 58 0.977 0.831 -7.796 1.00 1.24 N ATOM 877 CA ASP A 58 1.051 2.253 -7.445 1.00 1.21 C ATOM 878 C ASP A 58 1.849 2.431 -6.169 1.00 1.13 C ATOM 879 O ASP A 58 2.584 1.541 -5.753 1.00 1.13 O ATOM 880 CB ASP A 58 -0.337 2.861 -7.222 1.00 1.16 C ATOM 881 CG ASP A 58 -1.216 2.835 -8.460 1.00 1.26 C ATOM 882 OD1 ASP A 58 -0.699 2.537 -9.556 1.00 1.43 O ATOM 883 OD2 ASP A 58 -2.423 3.139 -8.344 1.00 1.29 O ATOM 0 H ASP A 58 0.159 0.346 -7.427 1.00 1.24 H new ATOM 0 HA ASP A 58 1.531 2.762 -8.281 1.00 1.21 H new ATOM 0 HB2 ASP A 58 -0.837 2.319 -6.419 1.00 1.16 H new ATOM 0 HB3 ASP A 58 -0.224 3.892 -6.888 1.00 1.16 H new ATOM 888 N LEU A 59 1.695 3.581 -5.544 1.00 1.06 N ATOM 889 CA LEU A 59 2.368 3.863 -4.313 1.00 0.99 C ATOM 890 C LEU A 59 1.379 4.453 -3.333 1.00 0.89 C ATOM 891 O LEU A 59 0.830 5.527 -3.567 1.00 0.90 O ATOM 892 CB LEU A 59 3.528 4.841 -4.517 1.00 1.05 C ATOM 893 CG LEU A 59 4.902 4.208 -4.706 1.00 1.13 C ATOM 894 CD1 LEU A 59 5.973 5.284 -4.799 1.00 1.19 C ATOM 895 CD2 LEU A 59 5.211 3.248 -3.567 1.00 1.06 C ATOM 0 H LEU A 59 1.100 4.337 -5.882 1.00 1.06 H new ATOM 0 HA LEU A 59 2.779 2.931 -3.926 1.00 0.99 H new ATOM 0 HB2 LEU A 59 3.310 5.458 -5.389 1.00 1.05 H new ATOM 0 HB3 LEU A 59 3.571 5.509 -3.657 1.00 1.05 H new ATOM 0 HG LEU A 59 4.895 3.643 -5.638 1.00 1.13 H new ATOM 0 HD11 LEU A 59 6.948 4.816 -4.934 1.00 1.19 H new ATOM 0 HD12 LEU A 59 5.762 5.935 -5.648 1.00 1.19 H new ATOM 0 HD13 LEU A 59 5.977 5.874 -3.882 1.00 1.19 H new ATOM 0 HD21 LEU A 59 6.196 2.807 -3.720 1.00 1.06 H new ATOM 0 HD22 LEU A 59 5.199 3.790 -2.621 1.00 1.06 H new ATOM 0 HD23 LEU A 59 4.460 2.459 -3.542 1.00 1.06 H new ATOM 907 N ILE A 60 1.107 3.733 -2.273 1.00 0.80 N ATOM 908 CA ILE A 60 0.195 4.226 -1.267 1.00 0.71 C ATOM 909 C ILE A 60 0.951 5.156 -0.320 1.00 0.68 C ATOM 910 O ILE A 60 1.829 4.719 0.426 1.00 0.66 O ATOM 911 CB ILE A 60 -0.456 3.076 -0.473 1.00 0.62 C ATOM 912 CG1 ILE A 60 -1.320 2.213 -1.404 1.00 0.67 C ATOM 913 CG2 ILE A 60 -1.282 3.628 0.682 1.00 0.54 C ATOM 914 CD1 ILE A 60 -1.621 0.837 -0.855 1.00 0.63 C ATOM 0 H ILE A 60 1.500 2.811 -2.084 1.00 0.80 H new ATOM 0 HA ILE A 60 -0.606 4.771 -1.766 1.00 0.71 H new ATOM 0 HB ILE A 60 0.330 2.447 -0.055 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -2.260 2.731 -1.596 1.00 0.67 H new ATOM 0 HG13 ILE A 60 -0.812 2.108 -2.363 1.00 0.67 H new ATOM 0 HG21 ILE A 60 -1.735 2.803 1.232 1.00 0.54 H new ATOM 0 HG22 ILE A 60 -0.637 4.199 1.350 1.00 0.54 H new ATOM 0 HG23 ILE A 60 -2.066 4.277 0.291 1.00 0.54 H new ATOM 0 HD11 ILE A 60 -2.235 0.287 -1.568 1.00 0.63 H new ATOM 0 HD12 ILE A 60 -0.688 0.299 -0.689 1.00 0.63 H new ATOM 0 HD13 ILE A 60 -2.158 0.931 0.089 1.00 0.63 H new ATOM 926 N THR A 61 0.622 6.438 -0.368 1.00 0.70 N ATOM 927 CA THR A 61 1.298 7.426 0.462 1.00 0.70 C ATOM 928 C THR A 61 0.506 7.757 1.730 1.00 0.61 C ATOM 929 O THR A 61 1.096 8.100 2.759 1.00 0.58 O ATOM 930 CB THR A 61 1.604 8.712 -0.348 1.00 0.80 C ATOM 931 OG1 THR A 61 2.144 9.735 0.501 1.00 0.79 O ATOM 932 CG2 THR A 61 0.360 9.235 -1.053 1.00 0.86 C ATOM 0 H THR A 61 -0.107 6.819 -0.971 1.00 0.70 H new ATOM 0 HA THR A 61 2.242 6.984 0.780 1.00 0.70 H new ATOM 0 HB THR A 61 2.344 8.449 -1.103 1.00 0.80 H new ATOM 0 HG1 THR A 61 2.331 10.537 -0.031 1.00 0.79 H new ATOM 0 HG21 THR A 61 0.610 10.137 -1.611 1.00 0.86 H new ATOM 0 HG22 THR A 61 -0.016 8.476 -1.739 1.00 0.86 H new ATOM 0 HG23 THR A 61 -0.407 9.467 -0.314 1.00 0.86 H new ATOM 940 N HIS A 62 -0.820 7.653 1.671 1.00 0.60 N ATOM 941 CA HIS A 62 -1.655 7.944 2.839 1.00 0.57 C ATOM 942 C HIS A 62 -2.842 6.999 2.896 1.00 0.55 C ATOM 943 O HIS A 62 -3.379 6.596 1.863 1.00 0.59 O ATOM 944 CB HIS A 62 -2.199 9.387 2.841 1.00 0.66 C ATOM 945 CG HIS A 62 -1.193 10.462 2.556 1.00 0.75 C ATOM 946 ND1 HIS A 62 -1.156 11.104 1.343 1.00 0.81 N ATOM 947 CD2 HIS A 62 -0.231 10.978 3.358 1.00 0.86 C ATOM 948 CE1 HIS A 62 -0.175 11.988 1.431 1.00 0.91 C ATOM 949 NE2 HIS A 62 0.412 11.949 2.633 1.00 0.95 N ATOM 0 H HIS A 62 -1.337 7.373 0.838 1.00 0.60 H new ATOM 0 HA HIS A 62 -1.009 7.813 3.707 1.00 0.57 H new ATOM 0 HB2 HIS A 62 -2.996 9.456 2.101 1.00 0.66 H new ATOM 0 HB3 HIS A 62 -2.649 9.585 3.814 1.00 0.66 H new ATOM 0 HD2 HIS A 62 -0.012 10.682 4.373 1.00 0.86 H new ATOM 0 HE1 HIS A 62 0.115 12.656 0.634 1.00 0.91 H new ATOM 0 HE2 HIS A 62 1.189 12.530 2.949 1.00 0.95 H new ATOM 957 N VAL A 63 -3.242 6.652 4.104 1.00 0.51 N ATOM 958 CA VAL A 63 -4.386 5.784 4.320 1.00 0.50 C ATOM 959 C VAL A 63 -5.342 6.467 5.280 1.00 0.58 C ATOM 960 O VAL A 63 -5.003 6.675 6.437 1.00 0.59 O ATOM 961 CB VAL A 63 -3.975 4.414 4.900 1.00 0.42 C ATOM 962 CG1 VAL A 63 -5.207 3.611 5.287 1.00 0.44 C ATOM 963 CG2 VAL A 63 -3.123 3.638 3.907 1.00 0.38 C ATOM 0 H VAL A 63 -2.785 6.962 4.962 1.00 0.51 H new ATOM 0 HA VAL A 63 -4.861 5.604 3.356 1.00 0.50 H new ATOM 0 HB VAL A 63 -3.378 4.588 5.795 1.00 0.42 H new ATOM 0 HG11 VAL A 63 -4.900 2.648 5.694 1.00 0.44 H new ATOM 0 HG12 VAL A 63 -5.777 4.158 6.038 1.00 0.44 H new ATOM 0 HG13 VAL A 63 -5.829 3.451 4.406 1.00 0.44 H new ATOM 0 HG21 VAL A 63 -2.846 2.676 4.339 1.00 0.38 H new ATOM 0 HG22 VAL A 63 -3.690 3.474 2.991 1.00 0.38 H new ATOM 0 HG23 VAL A 63 -2.221 4.206 3.679 1.00 0.38 H new ATOM 973 N ASN A 64 -6.516 6.848 4.787 1.00 0.67 N ATOM 974 CA ASN A 64 -7.524 7.532 5.601 1.00 0.76 C ATOM 975 C ASN A 64 -6.982 8.870 6.085 1.00 0.81 C ATOM 976 O ASN A 64 -7.350 9.360 7.155 1.00 0.90 O ATOM 977 CB ASN A 64 -7.957 6.665 6.794 1.00 0.77 C ATOM 978 CG ASN A 64 -8.602 5.370 6.365 1.00 0.75 C ATOM 979 OD1 ASN A 64 -9.386 5.332 5.417 1.00 0.80 O ATOM 980 ND2 ASN A 64 -8.271 4.297 7.064 1.00 0.70 N ATOM 0 H ASN A 64 -6.798 6.694 3.819 1.00 0.67 H new ATOM 0 HA ASN A 64 -8.403 7.707 4.980 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -7.088 6.446 7.414 1.00 0.77 H new ATOM 0 HB3 ASN A 64 -8.656 7.228 7.413 1.00 0.77 H new ATOM 0 HD21 ASN A 64 -8.670 3.389 6.825 1.00 0.70 H new ATOM 0 HD22 ASN A 64 -7.616 4.377 7.842 1.00 0.70 H new ATOM 987 N GLY A 65 -6.102 9.455 5.279 1.00 0.78 N ATOM 988 CA GLY A 65 -5.507 10.730 5.617 1.00 0.83 C ATOM 989 C GLY A 65 -4.349 10.599 6.588 1.00 0.81 C ATOM 990 O GLY A 65 -3.915 11.587 7.180 1.00 0.90 O ATOM 0 H GLY A 65 -5.790 9.063 4.391 1.00 0.78 H new ATOM 0 HA2 GLY A 65 -5.158 11.216 4.706 1.00 0.83 H new ATOM 0 HA3 GLY A 65 -6.269 11.377 6.052 1.00 0.83 H new ATOM 994 N GLU A 66 -3.835 9.386 6.745 1.00 0.71 N ATOM 995 CA GLU A 66 -2.731 9.141 7.661 1.00 0.71 C ATOM 996 C GLU A 66 -1.437 8.902 6.893 1.00 0.66 C ATOM 997 O GLU A 66 -1.405 8.080 5.976 1.00 0.58 O ATOM 998 CB GLU A 66 -3.016 7.912 8.525 1.00 0.70 C ATOM 999 CG GLU A 66 -4.397 7.891 9.150 1.00 0.77 C ATOM 1000 CD GLU A 66 -4.471 8.633 10.466 1.00 0.95 C ATOM 1001 OE1 GLU A 66 -3.704 9.597 10.658 1.00 1.30 O ATOM 1002 OE2 GLU A 66 -5.296 8.247 11.320 1.00 1.36 O ATOM 0 H GLU A 66 -4.165 8.558 6.250 1.00 0.71 H new ATOM 0 HA GLU A 66 -2.625 10.022 8.293 1.00 0.71 H new ATOM 0 HB2 GLU A 66 -2.894 7.018 7.914 1.00 0.70 H new ATOM 0 HB3 GLU A 66 -2.271 7.860 9.319 1.00 0.70 H new ATOM 0 HG2 GLU A 66 -5.110 8.331 8.453 1.00 0.77 H new ATOM 0 HG3 GLU A 66 -4.701 6.856 9.307 1.00 0.77 H new ATOM 1009 N PRO A 67 -0.363 9.631 7.234 1.00 0.73 N ATOM 1010 CA PRO A 67 0.938 9.453 6.593 1.00 0.72 C ATOM 1011 C PRO A 67 1.542 8.106 6.974 1.00 0.64 C ATOM 1012 O PRO A 67 1.909 7.879 8.127 1.00 0.72 O ATOM 1013 CB PRO A 67 1.789 10.607 7.145 1.00 0.84 C ATOM 1014 CG PRO A 67 0.825 11.535 7.802 1.00 0.90 C ATOM 1015 CD PRO A 67 -0.325 10.689 8.251 1.00 0.84 C ATOM 0 HA PRO A 67 0.876 9.464 5.505 1.00 0.72 H new ATOM 0 HB2 PRO A 67 2.530 10.243 7.857 1.00 0.84 H new ATOM 0 HB3 PRO A 67 2.335 11.109 6.346 1.00 0.84 H new ATOM 0 HG2 PRO A 67 1.288 12.044 8.648 1.00 0.90 H new ATOM 0 HG3 PRO A 67 0.493 12.307 7.108 1.00 0.90 H new ATOM 0 HD2 PRO A 67 -0.164 10.285 9.250 1.00 0.84 H new ATOM 0 HD3 PRO A 67 -1.256 11.255 8.282 1.00 0.84 H new ATOM 1023 N VAL A 68 1.635 7.211 6.006 1.00 0.53 N ATOM 1024 CA VAL A 68 2.163 5.878 6.260 1.00 0.48 C ATOM 1025 C VAL A 68 3.656 5.793 5.972 1.00 0.56 C ATOM 1026 O VAL A 68 4.263 4.731 6.116 1.00 0.60 O ATOM 1027 CB VAL A 68 1.420 4.812 5.434 1.00 0.42 C ATOM 1028 CG1 VAL A 68 -0.071 4.851 5.739 1.00 0.40 C ATOM 1029 CG2 VAL A 68 1.666 4.996 3.943 1.00 0.52 C ATOM 0 H VAL A 68 1.354 7.380 5.040 1.00 0.53 H new ATOM 0 HA VAL A 68 2.004 5.681 7.320 1.00 0.48 H new ATOM 0 HB VAL A 68 1.811 3.834 5.717 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -0.583 4.092 5.148 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -0.231 4.654 6.799 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -0.468 5.835 5.489 1.00 0.40 H new ATOM 0 HG21 VAL A 68 1.128 4.228 3.388 1.00 0.52 H new ATOM 0 HG22 VAL A 68 1.314 5.980 3.635 1.00 0.52 H new ATOM 0 HG23 VAL A 68 2.733 4.912 3.737 1.00 0.52 H new ATOM 1039 N HIS A 69 4.241 6.913 5.569 1.00 0.62 N ATOM 1040 CA HIS A 69 5.662 6.963 5.266 1.00 0.73 C ATOM 1041 C HIS A 69 6.474 6.672 6.521 1.00 0.77 C ATOM 1042 O HIS A 69 6.606 7.524 7.400 1.00 0.84 O ATOM 1043 CB HIS A 69 6.036 8.336 4.694 1.00 0.82 C ATOM 1044 CG HIS A 69 7.468 8.451 4.256 1.00 0.94 C ATOM 1045 ND1 HIS A 69 7.812 8.462 2.925 1.00 1.39 N ATOM 1046 CD2 HIS A 69 8.596 8.558 5.002 1.00 1.09 C ATOM 1047 CE1 HIS A 69 9.130 8.571 2.892 1.00 1.37 C ATOM 1048 NE2 HIS A 69 9.647 8.632 4.127 1.00 1.17 N ATOM 0 H HIS A 69 3.751 7.799 5.445 1.00 0.62 H new ATOM 0 HA HIS A 69 5.889 6.203 4.518 1.00 0.73 H new ATOM 0 HB2 HIS A 69 5.389 8.551 3.843 1.00 0.82 H new ATOM 0 HB3 HIS A 69 5.836 9.098 5.447 1.00 0.82 H new ATOM 0 HD2 HIS A 69 8.654 8.581 6.080 1.00 1.09 H new ATOM 0 HE1 HIS A 69 9.715 8.606 1.985 1.00 1.37 H new ATOM 0 HE2 HIS A 69 10.634 8.717 4.369 1.00 1.17 H new ATOM 1056 N GLY A 70 6.993 5.458 6.609 1.00 0.80 N ATOM 1057 CA GLY A 70 7.789 5.084 7.754 1.00 0.89 C ATOM 1058 C GLY A 70 7.228 3.890 8.492 1.00 0.86 C ATOM 1059 O GLY A 70 7.970 3.174 9.165 1.00 0.98 O ATOM 0 H GLY A 70 6.877 4.727 5.908 1.00 0.80 H new ATOM 0 HA2 GLY A 70 8.804 4.859 7.427 1.00 0.89 H new ATOM 0 HA3 GLY A 70 7.854 5.930 8.438 1.00 0.89 H new ATOM 1063 N LEU A 71 5.922 3.664 8.374 1.00 0.74 N ATOM 1064 CA LEU A 71 5.289 2.548 9.048 1.00 0.72 C ATOM 1065 C LEU A 71 5.723 1.210 8.494 1.00 0.73 C ATOM 1066 O LEU A 71 6.303 1.110 7.412 1.00 0.82 O ATOM 1067 CB LEU A 71 3.785 2.617 8.896 1.00 0.67 C ATOM 1068 CG LEU A 71 3.084 3.698 9.683 1.00 0.57 C ATOM 1069 CD1 LEU A 71 1.606 3.621 9.409 1.00 0.47 C ATOM 1070 CD2 LEU A 71 3.374 3.583 11.173 1.00 0.83 C ATOM 0 H LEU A 71 5.289 4.240 7.819 1.00 0.74 H new ATOM 0 HA LEU A 71 5.592 2.626 10.092 1.00 0.72 H new ATOM 0 HB2 LEU A 71 3.554 2.757 7.840 1.00 0.67 H new ATOM 0 HB3 LEU A 71 3.367 1.654 9.189 1.00 0.67 H new ATOM 0 HG LEU A 71 3.461 4.670 9.365 1.00 0.57 H new ATOM 0 HD11 LEU A 71 1.090 4.398 9.973 1.00 0.47 H new ATOM 0 HD12 LEU A 71 1.425 3.765 8.344 1.00 0.47 H new ATOM 0 HD13 LEU A 71 1.230 2.643 9.711 1.00 0.47 H new ATOM 0 HD21 LEU A 71 2.853 4.377 11.707 1.00 0.83 H new ATOM 0 HD22 LEU A 71 3.030 2.615 11.537 1.00 0.83 H new ATOM 0 HD23 LEU A 71 4.447 3.674 11.343 1.00 0.83 H new ATOM 1082 N VAL A 72 5.397 0.184 9.252 1.00 0.68 N ATOM 1083 CA VAL A 72 5.674 -1.175 8.865 1.00 0.68 C ATOM 1084 C VAL A 72 4.513 -1.667 8.013 1.00 0.59 C ATOM 1085 O VAL A 72 3.504 -0.970 7.879 1.00 0.52 O ATOM 1086 CB VAL A 72 5.833 -2.084 10.096 1.00 0.72 C ATOM 1087 CG1 VAL A 72 6.954 -1.582 10.997 1.00 0.82 C ATOM 1088 CG2 VAL A 72 4.522 -2.165 10.862 1.00 0.69 C ATOM 0 H VAL A 72 4.932 0.274 10.155 1.00 0.68 H new ATOM 0 HA VAL A 72 6.609 -1.208 8.306 1.00 0.68 H new ATOM 0 HB VAL A 72 6.098 -3.085 9.755 1.00 0.72 H new ATOM 0 HG11 VAL A 72 7.049 -2.240 11.861 1.00 0.82 H new ATOM 0 HG12 VAL A 72 7.892 -1.575 10.442 1.00 0.82 H new ATOM 0 HG13 VAL A 72 6.725 -0.571 11.334 1.00 0.82 H new ATOM 0 HG21 VAL A 72 4.648 -2.811 11.731 1.00 0.69 H new ATOM 0 HG22 VAL A 72 4.230 -1.167 11.191 1.00 0.69 H new ATOM 0 HG23 VAL A 72 3.747 -2.575 10.214 1.00 0.69 H new ATOM 1098 N HIS A 73 4.638 -2.858 7.468 1.00 0.60 N ATOM 1099 CA HIS A 73 3.593 -3.418 6.622 1.00 0.53 C ATOM 1100 C HIS A 73 2.266 -3.551 7.369 1.00 0.44 C ATOM 1101 O HIS A 73 1.212 -3.219 6.838 1.00 0.36 O ATOM 1102 CB HIS A 73 4.031 -4.779 6.089 1.00 0.60 C ATOM 1103 CG HIS A 73 3.071 -5.375 5.109 1.00 0.58 C ATOM 1104 ND1 HIS A 73 2.680 -4.757 3.942 1.00 0.58 N ATOM 1105 CD2 HIS A 73 2.427 -6.565 5.138 1.00 0.58 C ATOM 1106 CE1 HIS A 73 1.829 -5.574 3.315 1.00 0.58 C ATOM 1107 NE2 HIS A 73 1.642 -6.686 3.999 1.00 0.58 N ATOM 0 H HIS A 73 5.451 -3.461 7.593 1.00 0.60 H new ATOM 0 HA HIS A 73 3.435 -2.731 5.790 1.00 0.53 H new ATOM 0 HB2 HIS A 73 5.006 -4.677 5.613 1.00 0.60 H new ATOM 0 HB3 HIS A 73 4.155 -5.465 6.927 1.00 0.60 H new ATOM 0 HD1 HIS A 73 2.985 -3.840 3.615 1.00 0.58 H new ATOM 0 HD2 HIS A 73 2.510 -7.303 5.922 1.00 0.58 H new ATOM 0 HE1 HIS A 73 1.355 -5.352 2.370 1.00 0.58 H new ATOM 1115 N THR A 74 2.322 -4.012 8.604 1.00 0.48 N ATOM 1116 CA THR A 74 1.114 -4.208 9.394 1.00 0.44 C ATOM 1117 C THR A 74 0.489 -2.903 9.877 1.00 0.41 C ATOM 1118 O THR A 74 -0.732 -2.809 9.959 1.00 0.39 O ATOM 1119 CB THR A 74 1.397 -5.108 10.599 1.00 0.52 C ATOM 1120 OG1 THR A 74 2.687 -4.792 11.143 1.00 0.57 O ATOM 1121 CG2 THR A 74 1.362 -6.570 10.194 1.00 0.57 C ATOM 0 H THR A 74 3.188 -4.258 9.084 1.00 0.48 H new ATOM 0 HA THR A 74 0.396 -4.685 8.727 1.00 0.44 H new ATOM 0 HB THR A 74 0.627 -4.935 11.351 1.00 0.52 H new ATOM 0 HG1 THR A 74 2.866 -5.368 11.916 1.00 0.57 H new ATOM 0 HG21 THR A 74 1.566 -7.194 11.064 1.00 0.57 H new ATOM 0 HG22 THR A 74 0.377 -6.814 9.795 1.00 0.57 H new ATOM 0 HG23 THR A 74 2.118 -6.754 9.431 1.00 0.57 H new ATOM 1129 N GLU A 75 1.305 -1.892 10.180 1.00 0.45 N ATOM 1130 CA GLU A 75 0.773 -0.628 10.663 1.00 0.46 C ATOM 1131 C GLU A 75 -0.203 -0.037 9.668 1.00 0.37 C ATOM 1132 O GLU A 75 -1.267 0.457 10.039 1.00 0.38 O ATOM 1133 CB GLU A 75 1.885 0.367 10.959 1.00 0.53 C ATOM 1134 CG GLU A 75 2.656 0.014 12.211 1.00 0.66 C ATOM 1135 CD GLU A 75 1.886 0.310 13.475 1.00 0.74 C ATOM 1136 OE1 GLU A 75 1.109 -0.561 13.915 1.00 0.88 O ATOM 1137 OE2 GLU A 75 2.054 1.408 14.039 1.00 0.80 O ATOM 0 H GLU A 75 2.321 -1.927 10.099 1.00 0.45 H new ATOM 0 HA GLU A 75 0.244 -0.833 11.594 1.00 0.46 H new ATOM 0 HB2 GLU A 75 2.570 0.405 10.112 1.00 0.53 H new ATOM 0 HB3 GLU A 75 1.458 1.364 11.068 1.00 0.53 H new ATOM 0 HG2 GLU A 75 2.913 -1.045 12.187 1.00 0.66 H new ATOM 0 HG3 GLU A 75 3.594 0.570 12.224 1.00 0.66 H new ATOM 1144 N VAL A 76 0.158 -0.115 8.401 1.00 0.32 N ATOM 1145 CA VAL A 76 -0.688 0.408 7.347 1.00 0.25 C ATOM 1146 C VAL A 76 -1.856 -0.541 7.090 1.00 0.20 C ATOM 1147 O VAL A 76 -2.971 -0.098 6.829 1.00 0.21 O ATOM 1148 CB VAL A 76 0.115 0.676 6.056 1.00 0.26 C ATOM 1149 CG1 VAL A 76 1.326 1.526 6.385 1.00 0.37 C ATOM 1150 CG2 VAL A 76 0.545 -0.611 5.374 1.00 0.28 C ATOM 0 H VAL A 76 1.030 -0.535 8.078 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.090 1.367 7.676 1.00 0.25 H new ATOM 0 HB VAL A 76 -0.533 1.207 5.359 1.00 0.26 H new ATOM 0 HG11 VAL A 76 1.895 1.717 5.475 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.000 2.473 6.814 1.00 0.37 H new ATOM 0 HG13 VAL A 76 1.956 1.000 7.103 1.00 0.37 H new ATOM 0 HG21 VAL A 76 1.107 -0.374 4.470 1.00 0.28 H new ATOM 0 HG22 VAL A 76 1.174 -1.189 6.051 1.00 0.28 H new ATOM 0 HG23 VAL A 76 -0.337 -1.195 5.110 1.00 0.28 H new ATOM 1160 N VAL A 77 -1.597 -1.846 7.202 1.00 0.21 N ATOM 1161 CA VAL A 77 -2.630 -2.862 7.019 1.00 0.20 C ATOM 1162 C VAL A 77 -3.761 -2.630 8.011 1.00 0.26 C ATOM 1163 O VAL A 77 -4.936 -2.576 7.637 1.00 0.29 O ATOM 1164 CB VAL A 77 -2.038 -4.285 7.195 1.00 0.25 C ATOM 1165 CG1 VAL A 77 -3.104 -5.303 7.567 1.00 0.28 C ATOM 1166 CG2 VAL A 77 -1.322 -4.715 5.924 1.00 0.28 C ATOM 0 H VAL A 77 -0.675 -2.223 7.420 1.00 0.21 H new ATOM 0 HA VAL A 77 -3.024 -2.783 6.006 1.00 0.20 H new ATOM 0 HB VAL A 77 -1.324 -4.244 8.017 1.00 0.25 H new ATOM 0 HG11 VAL A 77 -2.645 -6.285 7.680 1.00 0.28 H new ATOM 0 HG12 VAL A 77 -3.574 -5.011 8.506 1.00 0.28 H new ATOM 0 HG13 VAL A 77 -3.859 -5.343 6.781 1.00 0.28 H new ATOM 0 HG21 VAL A 77 -0.910 -5.715 6.059 1.00 0.28 H new ATOM 0 HG22 VAL A 77 -2.028 -4.722 5.093 1.00 0.28 H new ATOM 0 HG23 VAL A 77 -0.514 -4.016 5.707 1.00 0.28 H new ATOM 1176 N GLU A 78 -3.390 -2.468 9.271 1.00 0.33 N ATOM 1177 CA GLU A 78 -4.352 -2.205 10.323 1.00 0.43 C ATOM 1178 C GLU A 78 -5.050 -0.903 10.064 1.00 0.45 C ATOM 1179 O GLU A 78 -6.266 -0.807 10.150 1.00 0.51 O ATOM 1180 CB GLU A 78 -3.658 -2.148 11.649 1.00 0.52 C ATOM 1181 CG GLU A 78 -2.943 -3.425 11.948 1.00 0.58 C ATOM 1182 CD GLU A 78 -2.543 -3.563 13.394 1.00 0.79 C ATOM 1183 OE1 GLU A 78 -2.187 -2.543 14.013 1.00 1.12 O ATOM 1184 OE2 GLU A 78 -2.592 -4.693 13.924 1.00 1.32 O ATOM 0 H GLU A 78 -2.422 -2.515 9.589 1.00 0.33 H new ATOM 0 HA GLU A 78 -5.087 -3.010 10.338 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -2.947 -1.322 11.653 1.00 0.52 H new ATOM 0 HB3 GLU A 78 -4.387 -1.945 12.434 1.00 0.52 H new ATOM 0 HG2 GLU A 78 -3.583 -4.264 11.674 1.00 0.58 H new ATOM 0 HG3 GLU A 78 -2.051 -3.488 11.325 1.00 0.58 H new ATOM 1191 N LEU A 79 -4.241 0.097 9.775 1.00 0.42 N ATOM 1192 CA LEU A 79 -4.732 1.436 9.449 1.00 0.47 C ATOM 1193 C LEU A 79 -5.909 1.343 8.480 1.00 0.48 C ATOM 1194 O LEU A 79 -6.984 1.891 8.743 1.00 0.58 O ATOM 1195 CB LEU A 79 -3.620 2.270 8.827 1.00 0.42 C ATOM 1196 CG LEU A 79 -3.432 3.656 9.433 1.00 0.50 C ATOM 1197 CD1 LEU A 79 -2.688 3.559 10.755 1.00 0.57 C ATOM 1198 CD2 LEU A 79 -2.693 4.548 8.454 1.00 0.46 C ATOM 0 H LEU A 79 -3.225 0.012 9.758 1.00 0.42 H new ATOM 0 HA LEU A 79 -5.063 1.917 10.369 1.00 0.47 H new ATOM 0 HB2 LEU A 79 -2.682 1.721 8.917 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -3.823 2.381 7.762 1.00 0.42 H new ATOM 0 HG LEU A 79 -4.409 4.097 9.631 1.00 0.50 H new ATOM 0 HD11 LEU A 79 -2.561 4.557 11.175 1.00 0.57 H new ATOM 0 HD12 LEU A 79 -3.259 2.942 11.449 1.00 0.57 H new ATOM 0 HD13 LEU A 79 -1.709 3.108 10.590 1.00 0.57 H new ATOM 0 HD21 LEU A 79 -2.561 5.538 8.892 1.00 0.46 H new ATOM 0 HD22 LEU A 79 -1.717 4.116 8.233 1.00 0.46 H new ATOM 0 HD23 LEU A 79 -3.269 4.633 7.533 1.00 0.46 H new ATOM 1210 N ILE A 80 -5.687 0.666 7.351 1.00 0.40 N ATOM 1211 CA ILE A 80 -6.721 0.433 6.366 1.00 0.45 C ATOM 1212 C ILE A 80 -7.934 -0.231 7.001 1.00 0.52 C ATOM 1213 O ILE A 80 -9.056 0.248 6.872 1.00 0.63 O ATOM 1214 CB ILE A 80 -6.171 -0.482 5.274 1.00 0.37 C ATOM 1215 CG1 ILE A 80 -5.011 0.205 4.579 1.00 0.33 C ATOM 1216 CG2 ILE A 80 -7.260 -0.872 4.295 1.00 0.46 C ATOM 1217 CD1 ILE A 80 -4.004 -0.761 4.022 1.00 0.27 C ATOM 0 H ILE A 80 -4.781 0.268 7.103 1.00 0.40 H new ATOM 0 HA ILE A 80 -7.025 1.392 5.946 1.00 0.45 H new ATOM 0 HB ILE A 80 -5.807 -1.405 5.726 1.00 0.37 H new ATOM 0 HG12 ILE A 80 -5.396 0.826 3.770 1.00 0.33 H new ATOM 0 HG13 ILE A 80 -4.515 0.871 5.285 1.00 0.33 H new ATOM 0 HG21 ILE A 80 -6.843 -1.524 3.527 1.00 0.46 H new ATOM 0 HG22 ILE A 80 -8.054 -1.398 4.825 1.00 0.46 H new ATOM 0 HG23 ILE A 80 -7.667 0.025 3.828 1.00 0.46 H new ATOM 0 HD11 ILE A 80 -3.199 -0.208 3.537 1.00 0.27 H new ATOM 0 HD12 ILE A 80 -3.594 -1.365 4.831 1.00 0.27 H new ATOM 0 HD13 ILE A 80 -4.488 -1.411 3.293 1.00 0.27 H new ATOM 1229 N LEU A 81 -7.690 -1.351 7.661 1.00 0.48 N ATOM 1230 CA LEU A 81 -8.740 -2.104 8.347 1.00 0.56 C ATOM 1231 C LEU A 81 -9.549 -1.229 9.315 1.00 0.68 C ATOM 1232 O LEU A 81 -10.772 -1.345 9.389 1.00 0.78 O ATOM 1233 CB LEU A 81 -8.118 -3.277 9.104 1.00 0.52 C ATOM 1234 CG LEU A 81 -7.640 -4.428 8.221 1.00 0.51 C ATOM 1235 CD1 LEU A 81 -6.687 -5.327 8.987 1.00 0.48 C ATOM 1236 CD2 LEU A 81 -8.826 -5.228 7.703 1.00 0.68 C ATOM 0 H LEU A 81 -6.762 -1.767 7.739 1.00 0.48 H new ATOM 0 HA LEU A 81 -9.431 -2.471 7.588 1.00 0.56 H new ATOM 0 HB2 LEU A 81 -7.273 -2.909 9.686 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -8.850 -3.662 9.814 1.00 0.52 H new ATOM 0 HG LEU A 81 -7.106 -4.009 7.368 1.00 0.51 H new ATOM 0 HD11 LEU A 81 -6.357 -6.141 8.342 1.00 0.48 H new ATOM 0 HD12 LEU A 81 -5.822 -4.748 9.312 1.00 0.48 H new ATOM 0 HD13 LEU A 81 -7.196 -5.738 9.859 1.00 0.48 H new ATOM 0 HD21 LEU A 81 -8.468 -6.044 7.076 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -9.385 -5.636 8.545 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -9.475 -4.578 7.117 1.00 0.68 H new ATOM 1248 N LYS A 82 -8.867 -0.354 10.047 1.00 0.68 N ATOM 1249 CA LYS A 82 -9.511 0.522 11.021 1.00 0.80 C ATOM 1250 C LYS A 82 -10.426 1.580 10.404 1.00 0.87 C ATOM 1251 O LYS A 82 -11.140 2.271 11.134 1.00 1.00 O ATOM 1252 CB LYS A 82 -8.455 1.194 11.877 1.00 0.77 C ATOM 1253 CG LYS A 82 -7.667 0.185 12.666 1.00 0.75 C ATOM 1254 CD LYS A 82 -6.928 0.820 13.832 1.00 0.77 C ATOM 1255 CE LYS A 82 -5.617 1.459 13.399 1.00 0.78 C ATOM 1256 NZ LYS A 82 -4.849 1.974 14.563 1.00 0.88 N ATOM 0 H LYS A 82 -7.856 -0.232 9.983 1.00 0.68 H new ATOM 0 HA LYS A 82 -10.155 -0.117 11.626 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -7.781 1.769 11.242 1.00 0.77 H new ATOM 0 HB3 LYS A 82 -8.931 1.900 12.558 1.00 0.77 H new ATOM 0 HG2 LYS A 82 -8.340 -0.586 13.041 1.00 0.75 H new ATOM 0 HG3 LYS A 82 -6.951 -0.308 12.009 1.00 0.75 H new ATOM 0 HD2 LYS A 82 -7.563 1.575 14.295 1.00 0.77 H new ATOM 0 HD3 LYS A 82 -6.729 0.063 14.590 1.00 0.77 H new ATOM 0 HE2 LYS A 82 -5.015 0.727 12.860 1.00 0.78 H new ATOM 0 HE3 LYS A 82 -5.821 2.276 12.707 1.00 0.78 H new ATOM 0 HZ1 LYS A 82 -3.962 2.403 14.231 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -5.414 2.690 15.062 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -4.633 1.190 15.211 1.00 0.88 H new ATOM 1270 N SER A 83 -10.401 1.724 9.084 1.00 0.82 N ATOM 1271 CA SER A 83 -11.245 2.701 8.405 1.00 0.90 C ATOM 1272 C SER A 83 -12.714 2.568 8.815 1.00 1.02 C ATOM 1273 O SER A 83 -13.294 3.486 9.399 1.00 1.08 O ATOM 1274 CB SER A 83 -11.114 2.533 6.897 1.00 0.85 C ATOM 1275 OG SER A 83 -11.423 1.205 6.501 1.00 0.78 O ATOM 0 H SER A 83 -9.806 1.177 8.462 1.00 0.82 H new ATOM 0 HA SER A 83 -10.907 3.695 8.699 1.00 0.90 H new ATOM 0 HB2 SER A 83 -11.781 3.231 6.391 1.00 0.85 H new ATOM 0 HB3 SER A 83 -10.099 2.781 6.587 1.00 0.85 H new ATOM 0 HG SER A 83 -10.595 0.725 6.293 1.00 0.78 H new ATOM 1281 N GLY A 84 -13.305 1.422 8.507 1.00 1.06 N ATOM 1282 CA GLY A 84 -14.690 1.186 8.842 1.00 1.18 C ATOM 1283 C GLY A 84 -15.611 1.493 7.681 1.00 1.22 C ATOM 1284 O GLY A 84 -15.839 2.662 7.359 1.00 1.29 O ATOM 0 H GLY A 84 -12.844 0.648 8.028 1.00 1.06 H new ATOM 0 HA2 GLY A 84 -14.819 0.146 9.143 1.00 1.18 H new ATOM 0 HA3 GLY A 84 -14.967 1.802 9.698 1.00 1.18 H new ATOM 1288 N ASN A 85 -16.111 0.435 7.038 1.00 1.19 N ATOM 1289 CA ASN A 85 -17.030 0.544 5.894 1.00 1.25 C ATOM 1290 C ASN A 85 -16.298 0.951 4.614 1.00 1.19 C ATOM 1291 O ASN A 85 -16.528 0.369 3.560 1.00 1.19 O ATOM 1292 CB ASN A 85 -18.188 1.512 6.195 1.00 1.40 C ATOM 1293 CG ASN A 85 -18.885 2.018 4.943 1.00 1.45 C ATOM 1294 OD1 ASN A 85 -18.827 3.205 4.628 1.00 1.48 O ATOM 1295 ND2 ASN A 85 -19.549 1.129 4.221 1.00 1.50 N ATOM 0 H ASN A 85 -15.891 -0.527 7.295 1.00 1.19 H new ATOM 0 HA ASN A 85 -17.453 -0.447 5.730 1.00 1.25 H new ATOM 0 HB2 ASN A 85 -18.917 1.010 6.831 1.00 1.40 H new ATOM 0 HB3 ASN A 85 -17.805 2.363 6.759 1.00 1.40 H new ATOM 0 HD21 ASN A 85 -20.034 1.421 3.373 1.00 1.50 H new ATOM 0 HD22 ASN A 85 -19.575 0.152 4.513 1.00 1.50 H new ATOM 1302 N LYS A 86 -15.437 1.949 4.698 1.00 1.14 N ATOM 1303 CA LYS A 86 -14.676 2.399 3.557 1.00 1.10 C ATOM 1304 C LYS A 86 -13.376 2.995 3.997 1.00 1.02 C ATOM 1305 O LYS A 86 -13.260 3.550 5.093 1.00 1.04 O ATOM 1306 CB LYS A 86 -15.434 3.418 2.745 1.00 1.19 C ATOM 1307 CG LYS A 86 -15.888 4.598 3.561 1.00 1.28 C ATOM 1308 CD LYS A 86 -17.060 5.302 2.921 1.00 1.38 C ATOM 1309 CE LYS A 86 -17.234 6.704 3.476 1.00 1.44 C ATOM 1310 NZ LYS A 86 -18.363 7.421 2.833 1.00 1.58 N ATOM 0 H LYS A 86 -15.249 2.466 5.557 1.00 1.14 H new ATOM 0 HA LYS A 86 -14.491 1.525 2.932 1.00 1.10 H new ATOM 0 HB2 LYS A 86 -14.801 3.769 1.930 1.00 1.19 H new ATOM 0 HB3 LYS A 86 -16.303 2.940 2.292 1.00 1.19 H new ATOM 0 HG2 LYS A 86 -16.166 4.264 4.561 1.00 1.28 H new ATOM 0 HG3 LYS A 86 -15.062 5.299 3.678 1.00 1.28 H new ATOM 0 HD2 LYS A 86 -16.912 5.352 1.842 1.00 1.38 H new ATOM 0 HD3 LYS A 86 -17.970 4.726 3.091 1.00 1.38 H new ATOM 0 HE2 LYS A 86 -17.405 6.650 4.551 1.00 1.44 H new ATOM 0 HE3 LYS A 86 -16.314 7.269 3.327 1.00 1.44 H new ATOM 0 HZ1 LYS A 86 -18.447 8.374 3.241 1.00 1.58 H new ATOM 0 HZ2 LYS A 86 -18.189 7.496 1.810 1.00 1.58 H new ATOM 0 HZ3 LYS A 86 -19.246 6.896 2.996 1.00 1.58 H new ATOM 1324 N VAL A 87 -12.420 2.906 3.119 1.00 0.95 N ATOM 1325 CA VAL A 87 -11.093 3.409 3.387 1.00 0.87 C ATOM 1326 C VAL A 87 -10.567 4.230 2.216 1.00 0.88 C ATOM 1327 O VAL A 87 -10.629 3.804 1.067 1.00 0.91 O ATOM 1328 CB VAL A 87 -10.135 2.240 3.696 1.00 0.76 C ATOM 1329 CG1 VAL A 87 -10.190 1.204 2.588 1.00 0.75 C ATOM 1330 CG2 VAL A 87 -8.712 2.735 3.903 1.00 0.68 C ATOM 0 H VAL A 87 -12.532 2.485 2.197 1.00 0.95 H new ATOM 0 HA VAL A 87 -11.148 4.064 4.257 1.00 0.87 H new ATOM 0 HB VAL A 87 -10.461 1.771 4.625 1.00 0.76 H new ATOM 0 HG11 VAL A 87 -9.509 0.386 2.821 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.205 0.817 2.502 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -9.896 1.664 1.645 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.060 1.889 4.119 1.00 0.68 H new ATOM 0 HG22 VAL A 87 -8.367 3.238 3.000 1.00 0.68 H new ATOM 0 HG23 VAL A 87 -8.688 3.434 4.739 1.00 0.68 H new ATOM 1340 N ALA A 88 -10.078 5.419 2.515 1.00 0.87 N ATOM 1341 CA ALA A 88 -9.535 6.295 1.493 1.00 0.89 C ATOM 1342 C ALA A 88 -8.041 6.082 1.377 1.00 0.80 C ATOM 1343 O ALA A 88 -7.278 6.430 2.272 1.00 0.76 O ATOM 1344 CB ALA A 88 -9.837 7.747 1.799 1.00 0.96 C ATOM 0 H ALA A 88 -10.046 5.801 3.460 1.00 0.87 H new ATOM 0 HA ALA A 88 -10.009 6.049 0.543 1.00 0.89 H new ATOM 0 HB1 ALA A 88 -9.418 8.379 1.016 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -10.916 7.893 1.844 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -9.395 8.016 2.758 1.00 0.96 H new ATOM 1350 N ILE A 89 -7.633 5.512 0.273 1.00 0.79 N ATOM 1351 CA ILE A 89 -6.230 5.226 0.044 1.00 0.72 C ATOM 1352 C ILE A 89 -5.627 6.193 -0.966 1.00 0.78 C ATOM 1353 O ILE A 89 -5.963 6.164 -2.144 1.00 0.86 O ATOM 1354 CB ILE A 89 -6.035 3.780 -0.449 1.00 0.70 C ATOM 1355 CG1 ILE A 89 -6.871 2.807 0.398 1.00 0.66 C ATOM 1356 CG2 ILE A 89 -4.571 3.415 -0.411 1.00 0.67 C ATOM 1357 CD1 ILE A 89 -6.237 1.448 0.622 1.00 0.60 C ATOM 0 H ILE A 89 -8.252 5.233 -0.489 1.00 0.79 H new ATOM 0 HA ILE A 89 -5.716 5.349 0.997 1.00 0.72 H new ATOM 0 HB ILE A 89 -6.380 3.706 -1.480 1.00 0.70 H new ATOM 0 HG12 ILE A 89 -7.064 3.266 1.368 1.00 0.66 H new ATOM 0 HG13 ILE A 89 -7.838 2.665 -0.086 1.00 0.66 H new ATOM 0 HG21 ILE A 89 -4.442 2.391 -0.761 1.00 0.67 H new ATOM 0 HG22 ILE A 89 -4.010 4.092 -1.055 1.00 0.67 H new ATOM 0 HG23 ILE A 89 -4.202 3.498 0.611 1.00 0.67 H new ATOM 0 HD11 ILE A 89 -6.901 0.833 1.230 1.00 0.60 H new ATOM 0 HD12 ILE A 89 -6.070 0.962 -0.339 1.00 0.60 H new ATOM 0 HD13 ILE A 89 -5.284 1.571 1.137 1.00 0.60 H new ATOM 1369 N SER A 90 -4.745 7.055 -0.495 1.00 0.75 N ATOM 1370 CA SER A 90 -4.100 8.030 -1.352 1.00 0.81 C ATOM 1371 C SER A 90 -2.983 7.366 -2.150 1.00 0.82 C ATOM 1372 O SER A 90 -1.971 6.937 -1.588 1.00 0.77 O ATOM 1373 CB SER A 90 -3.550 9.177 -0.509 1.00 0.79 C ATOM 1374 OG SER A 90 -4.530 9.649 0.405 1.00 0.82 O ATOM 0 H SER A 90 -4.458 7.099 0.483 1.00 0.75 H new ATOM 0 HA SER A 90 -4.832 8.433 -2.053 1.00 0.81 H new ATOM 0 HB2 SER A 90 -2.669 8.842 0.038 1.00 0.79 H new ATOM 0 HB3 SER A 90 -3.231 9.991 -1.159 1.00 0.79 H new ATOM 0 HG SER A 90 -4.260 10.526 0.750 1.00 0.82 H new ATOM 1380 N THR A 91 -3.178 7.275 -3.455 1.00 0.91 N ATOM 1381 CA THR A 91 -2.208 6.651 -4.327 1.00 0.95 C ATOM 1382 C THR A 91 -1.387 7.692 -5.078 1.00 1.04 C ATOM 1383 O THR A 91 -1.691 8.885 -5.052 1.00 1.09 O ATOM 1384 CB THR A 91 -2.902 5.714 -5.335 1.00 1.02 C ATOM 1385 OG1 THR A 91 -4.091 6.331 -5.851 1.00 1.06 O ATOM 1386 CG2 THR A 91 -3.271 4.390 -4.682 1.00 0.97 C ATOM 0 H THR A 91 -4.007 7.629 -3.933 1.00 0.91 H new ATOM 0 HA THR A 91 -1.536 6.066 -3.699 1.00 0.95 H new ATOM 0 HB THR A 91 -2.203 5.525 -6.150 1.00 1.02 H new ATOM 0 HG1 THR A 91 -4.522 5.727 -6.491 1.00 1.06 H new ATOM 0 HG21 THR A 91 -3.759 3.747 -5.414 1.00 0.97 H new ATOM 0 HG22 THR A 91 -2.369 3.902 -4.314 1.00 0.97 H new ATOM 0 HG23 THR A 91 -3.950 4.572 -3.849 1.00 0.97 H new ATOM 1394 N THR A 92 -0.343 7.218 -5.732 1.00 1.10 N ATOM 1395 CA THR A 92 0.558 8.055 -6.502 1.00 1.19 C ATOM 1396 C THR A 92 1.464 7.136 -7.328 1.00 1.24 C ATOM 1397 O THR A 92 1.680 5.990 -6.933 1.00 1.20 O ATOM 1398 CB THR A 92 1.385 8.982 -5.562 1.00 1.16 C ATOM 1399 OG1 THR A 92 2.339 9.763 -6.295 1.00 1.24 O ATOM 1400 CG2 THR A 92 2.102 8.178 -4.490 1.00 1.08 C ATOM 0 H THR A 92 -0.094 6.229 -5.744 1.00 1.10 H new ATOM 0 HA THR A 92 -0.004 8.708 -7.170 1.00 1.19 H new ATOM 0 HB THR A 92 0.677 9.659 -5.084 1.00 1.16 H new ATOM 0 HG1 THR A 92 2.839 10.334 -5.675 1.00 1.24 H new ATOM 0 HG21 THR A 92 2.671 8.852 -3.849 1.00 1.08 H new ATOM 0 HG22 THR A 92 1.370 7.638 -3.890 1.00 1.08 H new ATOM 0 HG23 THR A 92 2.780 7.467 -4.961 1.00 1.08 H new ATOM 1408 N PRO A 93 1.956 7.591 -8.497 1.00 1.35 N ATOM 1409 CA PRO A 93 2.827 6.778 -9.360 1.00 1.42 C ATOM 1410 C PRO A 93 4.016 6.171 -8.627 1.00 1.38 C ATOM 1411 O PRO A 93 4.547 6.748 -7.678 1.00 1.33 O ATOM 1412 CB PRO A 93 3.337 7.777 -10.389 1.00 1.52 C ATOM 1413 CG PRO A 93 2.266 8.806 -10.476 1.00 1.52 C ATOM 1414 CD PRO A 93 1.689 8.917 -9.090 1.00 1.42 C ATOM 0 HA PRO A 93 2.279 5.930 -9.770 1.00 1.42 H new ATOM 0 HB2 PRO A 93 4.285 8.217 -10.079 1.00 1.52 H new ATOM 0 HB3 PRO A 93 3.508 7.300 -11.354 1.00 1.52 H new ATOM 0 HG2 PRO A 93 2.669 9.762 -10.809 1.00 1.52 H new ATOM 0 HG3 PRO A 93 1.501 8.514 -11.196 1.00 1.52 H new ATOM 0 HD2 PRO A 93 2.165 9.715 -8.520 1.00 1.42 H new ATOM 0 HD3 PRO A 93 0.622 9.137 -9.116 1.00 1.42 H new ATOM 1422 N LEU A 94 4.448 5.021 -9.100 1.00 1.42 N ATOM 1423 CA LEU A 94 5.584 4.331 -8.519 1.00 1.41 C ATOM 1424 C LEU A 94 6.765 4.458 -9.473 1.00 1.50 C ATOM 1425 O LEU A 94 7.249 3.482 -10.049 1.00 1.53 O ATOM 1426 CB LEU A 94 5.244 2.862 -8.221 1.00 1.39 C ATOM 1427 CG LEU A 94 6.434 1.950 -7.879 1.00 1.43 C ATOM 1428 CD1 LEU A 94 7.188 2.457 -6.658 1.00 1.38 C ATOM 1429 CD2 LEU A 94 5.958 0.525 -7.652 1.00 1.46 C ATOM 0 H LEU A 94 4.026 4.539 -9.893 1.00 1.42 H new ATOM 0 HA LEU A 94 5.847 4.786 -7.564 1.00 1.41 H new ATOM 0 HB2 LEU A 94 4.540 2.834 -7.389 1.00 1.39 H new ATOM 0 HB3 LEU A 94 4.730 2.446 -9.088 1.00 1.39 H new ATOM 0 HG LEU A 94 7.121 1.964 -8.725 1.00 1.43 H new ATOM 0 HD11 LEU A 94 8.023 1.790 -6.443 1.00 1.38 H new ATOM 0 HD12 LEU A 94 7.566 3.460 -6.855 1.00 1.38 H new ATOM 0 HD13 LEU A 94 6.516 2.484 -5.801 1.00 1.38 H new ATOM 0 HD21 LEU A 94 6.811 -0.109 -7.411 1.00 1.46 H new ATOM 0 HD22 LEU A 94 5.247 0.506 -6.826 1.00 1.46 H new ATOM 0 HD23 LEU A 94 5.474 0.155 -8.556 1.00 1.46 H new ATOM 1441 N GLU A 95 7.194 5.692 -9.668 1.00 1.54 N ATOM 1442 CA GLU A 95 8.308 5.976 -10.547 1.00 1.63 C ATOM 1443 C GLU A 95 9.610 5.661 -9.835 1.00 1.62 C ATOM 1444 O GLU A 95 9.926 6.243 -8.795 1.00 1.54 O ATOM 1445 CB GLU A 95 8.293 7.434 -10.981 1.00 1.61 C ATOM 1446 CG GLU A 95 6.912 7.950 -11.369 1.00 1.66 C ATOM 1447 CD GLU A 95 6.511 7.534 -12.766 1.00 1.76 C ATOM 1448 OE1 GLU A 95 6.134 6.363 -12.955 1.00 1.89 O ATOM 1449 OE2 GLU A 95 6.569 8.378 -13.683 1.00 1.92 O ATOM 0 H GLU A 95 6.784 6.515 -9.226 1.00 1.54 H new ATOM 0 HA GLU A 95 8.220 5.353 -11.437 1.00 1.63 H new ATOM 0 HB2 GLU A 95 8.685 8.048 -10.170 1.00 1.61 H new ATOM 0 HB3 GLU A 95 8.967 7.557 -11.829 1.00 1.61 H new ATOM 0 HG2 GLU A 95 6.175 7.578 -10.657 1.00 1.66 H new ATOM 0 HG3 GLU A 95 6.901 9.038 -11.300 1.00 1.66 H new ATOM 1612 N ILE B 106 3.673 -9.378 2.319 1.00 0.89 N ATOM 1613 CA ILE B 106 2.478 -9.533 1.501 1.00 0.86 C ATOM 1614 C ILE B 106 1.300 -9.935 2.384 1.00 0.77 C ATOM 1615 O ILE B 106 1.333 -10.976 3.036 1.00 0.81 O ATOM 1616 CB ILE B 106 2.678 -10.578 0.372 1.00 1.01 C ATOM 1617 CG1 ILE B 106 1.333 -10.949 -0.268 1.00 1.40 C ATOM 1618 CG2 ILE B 106 3.383 -11.821 0.893 1.00 1.68 C ATOM 1619 CD1 ILE B 106 1.442 -11.972 -1.383 1.00 1.61 C ATOM 0 HA ILE B 106 2.273 -8.574 1.025 1.00 0.86 H new ATOM 0 HB ILE B 106 3.311 -10.127 -0.392 1.00 1.01 H new ATOM 0 HG12 ILE B 106 0.670 -11.338 0.505 1.00 1.40 H new ATOM 0 HG13 ILE B 106 0.868 -10.045 -0.662 1.00 1.40 H new ATOM 0 HG21 ILE B 106 3.509 -12.536 0.080 1.00 1.68 H new ATOM 0 HG22 ILE B 106 4.360 -11.546 1.289 1.00 1.68 H new ATOM 0 HG23 ILE B 106 2.785 -12.274 1.684 1.00 1.68 H new ATOM 0 HD11 ILE B 106 0.450 -12.181 -1.783 1.00 1.61 H new ATOM 0 HD12 ILE B 106 2.078 -11.579 -2.176 1.00 1.61 H new ATOM 0 HD13 ILE B 106 1.876 -12.892 -0.992 1.00 1.61 H new ATOM 1631 N THR B 107 0.278 -9.097 2.429 1.00 0.68 N ATOM 1632 CA THR B 107 -0.888 -9.378 3.247 1.00 0.63 C ATOM 1633 C THR B 107 -2.174 -8.942 2.559 1.00 0.57 C ATOM 1634 O THR B 107 -2.252 -7.863 1.966 1.00 0.56 O ATOM 1635 CB THR B 107 -0.773 -8.684 4.624 1.00 0.64 C ATOM 1636 OG1 THR B 107 0.403 -9.138 5.304 1.00 0.80 O ATOM 1637 CG2 THR B 107 -1.991 -8.956 5.490 1.00 0.62 C ATOM 0 H THR B 107 0.232 -8.220 1.910 1.00 0.68 H new ATOM 0 HA THR B 107 -0.926 -10.458 3.392 1.00 0.63 H new ATOM 0 HB THR B 107 -0.710 -7.610 4.449 1.00 0.64 H new ATOM 0 HG1 THR B 107 0.470 -8.693 6.175 1.00 0.80 H new ATOM 0 HG21 THR B 107 -1.875 -8.453 6.450 1.00 0.62 H new ATOM 0 HG22 THR B 107 -2.884 -8.582 4.990 1.00 0.62 H new ATOM 0 HG23 THR B 107 -2.089 -10.029 5.653 1.00 0.62 H new ATOM 1645 N LYS B 108 -3.165 -9.816 2.615 1.00 0.65 N ATOM 1646 CA LYS B 108 -4.467 -9.548 2.042 1.00 0.68 C ATOM 1647 C LYS B 108 -5.240 -8.656 3.003 1.00 0.58 C ATOM 1648 O LYS B 108 -5.354 -8.985 4.187 1.00 0.68 O ATOM 1649 CB LYS B 108 -5.217 -10.865 1.829 1.00 0.91 C ATOM 1650 CG LYS B 108 -4.419 -11.912 1.070 1.00 1.20 C ATOM 1651 CD LYS B 108 -5.169 -13.234 1.005 1.00 1.70 C ATOM 1652 CE LYS B 108 -4.226 -14.394 0.742 1.00 2.51 C ATOM 1653 NZ LYS B 108 -3.265 -14.594 1.860 1.00 3.39 N ATOM 0 H LYS B 108 -3.086 -10.731 3.060 1.00 0.65 H new ATOM 0 HA LYS B 108 -4.360 -9.049 1.079 1.00 0.68 H new ATOM 0 HB2 LYS B 108 -5.500 -11.272 2.800 1.00 0.91 H new ATOM 0 HB3 LYS B 108 -6.140 -10.662 1.286 1.00 0.91 H new ATOM 0 HG2 LYS B 108 -4.215 -11.556 0.060 1.00 1.20 H new ATOM 0 HG3 LYS B 108 -3.455 -12.061 1.556 1.00 1.20 H new ATOM 0 HD2 LYS B 108 -5.699 -13.400 1.943 1.00 1.70 H new ATOM 0 HD3 LYS B 108 -5.921 -13.189 0.217 1.00 1.70 H new ATOM 0 HE2 LYS B 108 -4.805 -15.306 0.594 1.00 2.51 H new ATOM 0 HE3 LYS B 108 -3.676 -14.212 -0.181 1.00 2.51 H new ATOM 0 HZ1 LYS B 108 -2.944 -15.583 1.869 1.00 3.39 H new ATOM 0 HZ2 LYS B 108 -2.447 -13.965 1.731 1.00 3.39 H new ATOM 0 HZ3 LYS B 108 -3.732 -14.373 2.763 1.00 3.39 H new ATOM 1667 N VAL B 109 -5.774 -7.545 2.519 1.00 0.51 N ATOM 1668 CA VAL B 109 -6.489 -6.649 3.397 1.00 0.55 C ATOM 1669 C VAL B 109 -7.852 -6.318 2.813 1.00 0.76 C ATOM 1670 O VAL B 109 -7.928 -6.048 1.598 1.00 1.40 O ATOM 1671 CB VAL B 109 -5.665 -5.367 3.674 1.00 0.56 C ATOM 1672 CG1 VAL B 109 -5.328 -4.635 2.385 1.00 0.59 C ATOM 1673 CG2 VAL B 109 -6.393 -4.451 4.641 1.00 1.21 C ATOM 1674 OXT VAL B 109 -8.845 -6.368 3.568 1.00 1.18 O ATOM 0 H VAL B 109 -5.725 -7.251 1.543 1.00 0.51 H new ATOM 0 HA VAL B 109 -6.642 -7.149 4.354 1.00 0.55 H new ATOM 0 HB VAL B 109 -4.727 -5.673 4.137 1.00 0.56 H new ATOM 0 HG11 VAL B 109 -4.750 -3.740 2.615 1.00 0.59 H new ATOM 0 HG12 VAL B 109 -4.743 -5.289 1.738 1.00 0.59 H new ATOM 0 HG13 VAL B 109 -6.249 -4.351 1.877 1.00 0.59 H new ATOM 0 HG21 VAL B 109 -5.793 -3.559 4.818 1.00 1.21 H new ATOM 0 HG22 VAL B 109 -7.354 -4.163 4.216 1.00 1.21 H new ATOM 0 HG23 VAL B 109 -6.555 -4.973 5.584 1.00 1.21 H new