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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.938 X(o=-0.94,f=-1.4) USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.0564 K(o=-2.3,f=-2.8) USER MOD Set 2.2: A 56 GLN : amide:sc= -2.28! C(o=-2.3!,f=-6.1!) USER MOD Set 3.1: A 17 TYR OH : rot 131:sc= -0.335 USER MOD Set 3.2: A 83 SER OG : rot 109:sc= -0.863! 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=-0.54,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 :FLIP no HE2:sc= -0.61 F(o=-1.3,f=-0.61) USER MOD Single : A 39 MET CE :methyl 153:sc=-0.00924 (180deg=-0.0912) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -4.32! C(o=-4.3!,f=-6.8!) USER MOD Single : A 69 HIS : no HD1:sc=-0.00715 X(o=-0.0072,f=-0.016) USER MOD Single : A 73 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-5.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.654 K(o=-0.65,f=-2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -150:sc= -0.906 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00451 USER MOD Single : A 92 THR OG1 : rot -70:sc= -1.41 USER MOD Single : B 107 THR OG1 : rot 5:sc= 1.09 USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N MET A 4 -2.728 15.824 -4.245 1.00 1.28 N ATOM 29 CA MET A 4 -2.806 16.034 -5.686 1.00 1.37 C ATOM 30 C MET A 4 -3.520 14.862 -6.352 1.00 1.38 C ATOM 31 O MET A 4 -4.356 15.046 -7.235 1.00 1.57 O ATOM 32 CB MET A 4 -1.401 16.201 -6.276 1.00 1.36 C ATOM 33 CG MET A 4 -1.382 16.334 -7.792 1.00 1.51 C ATOM 34 SD MET A 4 -2.312 17.764 -8.378 1.00 1.75 S ATOM 35 CE MET A 4 -2.052 17.628 -10.148 1.00 1.95 C ATOM 0 HA MET A 4 -3.375 16.944 -5.875 1.00 1.37 H new ATOM 0 HB2 MET A 4 -0.936 17.084 -5.838 1.00 1.36 H new ATOM 0 HB3 MET A 4 -0.792 15.344 -5.988 1.00 1.36 H new ATOM 0 HG2 MET A 4 -0.350 16.413 -8.133 1.00 1.51 H new ATOM 0 HG3 MET A 4 -1.796 15.429 -8.237 1.00 1.51 H new ATOM 0 HE1 MET A 4 -2.567 18.444 -10.655 1.00 1.95 H new ATOM 0 HE2 MET A 4 -0.985 17.682 -10.364 1.00 1.95 H new ATOM 0 HE3 MET A 4 -2.446 16.675 -10.502 1.00 1.95 H new ATOM 45 N ARG A 5 -3.178 13.655 -5.922 1.00 1.21 N ATOM 46 CA ARG A 5 -3.781 12.449 -6.470 1.00 1.23 C ATOM 47 C ARG A 5 -5.023 12.072 -5.671 1.00 1.21 C ATOM 48 O ARG A 5 -4.973 11.983 -4.443 1.00 1.14 O ATOM 49 CB ARG A 5 -2.774 11.295 -6.468 1.00 1.15 C ATOM 50 CG ARG A 5 -1.803 11.323 -7.642 1.00 1.23 C ATOM 51 CD ARG A 5 -0.744 12.406 -7.476 1.00 1.22 C ATOM 52 NE ARG A 5 0.046 12.596 -8.692 1.00 1.29 N ATOM 53 CZ ARG A 5 1.021 13.497 -8.816 1.00 1.34 C ATOM 54 NH1 ARG A 5 1.385 14.241 -7.776 1.00 1.32 N ATOM 55 NH2 ARG A 5 1.645 13.644 -9.978 1.00 1.48 N ATOM 0 H ARG A 5 -2.484 13.486 -5.194 1.00 1.21 H new ATOM 0 HA ARG A 5 -4.075 12.646 -7.501 1.00 1.23 H new ATOM 0 HB2 ARG A 5 -2.206 11.323 -5.538 1.00 1.15 H new ATOM 0 HB3 ARG A 5 -3.318 10.351 -6.481 1.00 1.15 H new ATOM 0 HG2 ARG A 5 -1.318 10.352 -7.735 1.00 1.23 H new ATOM 0 HG3 ARG A 5 -2.355 11.493 -8.566 1.00 1.23 H new ATOM 0 HD2 ARG A 5 -1.227 13.346 -7.208 1.00 1.22 H new ATOM 0 HD3 ARG A 5 -0.082 12.141 -6.652 1.00 1.22 H new ATOM 0 HE ARG A 5 -0.162 12.002 -9.495 1.00 1.29 H new ATOM 0 HH11 ARG A 5 0.918 14.124 -6.877 1.00 1.32 H new ATOM 0 HH12 ARG A 5 2.132 14.929 -7.877 1.00 1.32 H new ATOM 0 HH21 ARG A 5 1.379 13.068 -10.776 1.00 1.48 H new ATOM 0 HH22 ARG A 5 2.391 14.333 -10.073 1.00 1.48 H new ATOM 69 N PRO A 6 -6.158 11.861 -6.355 1.00 1.28 N ATOM 70 CA PRO A 6 -7.418 11.496 -5.703 1.00 1.28 C ATOM 71 C PRO A 6 -7.355 10.105 -5.070 1.00 1.20 C ATOM 72 O PRO A 6 -6.896 9.148 -5.702 1.00 1.19 O ATOM 73 CB PRO A 6 -8.428 11.526 -6.851 1.00 1.41 C ATOM 74 CG PRO A 6 -7.622 11.266 -8.059 1.00 1.43 C ATOM 75 CD PRO A 6 -6.308 11.949 -7.819 1.00 1.37 C ATOM 0 HA PRO A 6 -7.671 12.168 -4.883 1.00 1.28 H new ATOM 0 HB2 PRO A 6 -9.201 10.769 -6.719 1.00 1.41 H new ATOM 0 HB3 PRO A 6 -8.933 12.490 -6.911 1.00 1.41 H new ATOM 0 HG2 PRO A 6 -7.485 10.196 -8.217 1.00 1.43 H new ATOM 0 HG3 PRO A 6 -8.112 11.659 -8.950 1.00 1.43 H new ATOM 0 HD2 PRO A 6 -5.491 11.450 -8.340 1.00 1.37 H new ATOM 0 HD3 PRO A 6 -6.321 12.983 -8.163 1.00 1.37 H new ATOM 83 N PRO A 7 -7.801 9.969 -3.810 1.00 1.16 N ATOM 84 CA PRO A 7 -7.783 8.689 -3.106 1.00 1.08 C ATOM 85 C PRO A 7 -8.765 7.675 -3.687 1.00 1.12 C ATOM 86 O PRO A 7 -9.781 8.033 -4.286 1.00 1.23 O ATOM 87 CB PRO A 7 -8.192 9.039 -1.669 1.00 1.05 C ATOM 88 CG PRO A 7 -8.105 10.523 -1.574 1.00 1.12 C ATOM 89 CD PRO A 7 -8.340 11.045 -2.963 1.00 1.20 C ATOM 0 HA PRO A 7 -6.802 8.221 -3.185 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -9.203 8.692 -1.454 1.00 1.05 H new ATOM 0 HB3 PRO A 7 -7.530 8.561 -0.946 1.00 1.05 H new ATOM 0 HG2 PRO A 7 -8.850 10.913 -0.880 1.00 1.12 H new ATOM 0 HG3 PRO A 7 -7.129 10.833 -1.201 1.00 1.12 H new ATOM 0 HD2 PRO A 7 -9.398 11.220 -3.156 1.00 1.20 H new ATOM 0 HD3 PRO A 7 -7.824 11.990 -3.133 1.00 1.20 H new ATOM 97 N ILE A 8 -8.433 6.413 -3.510 1.00 1.04 N ATOM 98 CA ILE A 8 -9.248 5.308 -3.964 1.00 1.07 C ATOM 99 C ILE A 8 -10.154 4.852 -2.824 1.00 1.05 C ATOM 100 O ILE A 8 -9.737 4.067 -1.976 1.00 0.97 O ATOM 101 CB ILE A 8 -8.355 4.133 -4.410 1.00 1.04 C ATOM 102 CG1 ILE A 8 -7.364 4.590 -5.485 1.00 1.08 C ATOM 103 CG2 ILE A 8 -9.193 2.969 -4.909 1.00 1.09 C ATOM 104 CD1 ILE A 8 -7.937 4.612 -6.885 1.00 1.19 C ATOM 0 H ILE A 8 -7.576 6.123 -3.039 1.00 1.04 H new ATOM 0 HA ILE A 8 -9.851 5.634 -4.812 1.00 1.07 H new ATOM 0 HB ILE A 8 -7.789 3.789 -3.544 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -7.008 5.589 -5.234 1.00 1.08 H new ATOM 0 HG13 ILE A 8 -6.497 3.929 -5.469 1.00 1.08 H new ATOM 0 HG21 ILE A 8 -8.537 2.154 -5.217 1.00 1.09 H new ATOM 0 HG22 ILE A 8 -9.849 2.624 -4.110 1.00 1.09 H new ATOM 0 HG23 ILE A 8 -9.795 3.292 -5.759 1.00 1.09 H new ATOM 0 HD11 ILE A 8 -7.172 4.946 -7.586 1.00 1.19 H new ATOM 0 HD12 ILE A 8 -8.267 3.610 -7.159 1.00 1.19 H new ATOM 0 HD13 ILE A 8 -8.785 5.296 -6.920 1.00 1.19 H new ATOM 116 N ILE A 9 -11.362 5.400 -2.765 1.00 1.12 N ATOM 117 CA ILE A 9 -12.312 5.049 -1.722 1.00 1.12 C ATOM 118 C ILE A 9 -12.834 3.626 -1.922 1.00 1.13 C ATOM 119 O ILE A 9 -13.736 3.383 -2.724 1.00 1.21 O ATOM 120 CB ILE A 9 -13.502 6.039 -1.679 1.00 1.23 C ATOM 121 CG1 ILE A 9 -13.094 7.421 -1.159 1.00 1.23 C ATOM 122 CG2 ILE A 9 -14.621 5.494 -0.805 1.00 1.26 C ATOM 123 CD1 ILE A 9 -11.868 8.042 -1.790 1.00 1.20 C ATOM 0 H ILE A 9 -11.706 6.092 -3.431 1.00 1.12 H new ATOM 0 HA ILE A 9 -11.783 5.107 -0.771 1.00 1.12 H new ATOM 0 HB ILE A 9 -13.849 6.150 -2.706 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -13.934 8.101 -1.302 1.00 1.23 H new ATOM 0 HG13 ILE A 9 -12.924 7.345 -0.085 1.00 1.23 H new ATOM 0 HG21 ILE A 9 -15.448 6.204 -0.788 1.00 1.26 H new ATOM 0 HG22 ILE A 9 -14.968 4.543 -1.209 1.00 1.26 H new ATOM 0 HG23 ILE A 9 -14.250 5.344 0.209 1.00 1.26 H new ATOM 0 HD11 ILE A 9 -11.681 9.017 -1.340 1.00 1.20 H new ATOM 0 HD12 ILE A 9 -11.007 7.395 -1.625 1.00 1.20 H new ATOM 0 HD13 ILE A 9 -12.031 8.163 -2.861 1.00 1.20 H new ATOM 135 N ILE A 10 -12.237 2.694 -1.208 1.00 1.03 N ATOM 136 CA ILE A 10 -12.611 1.299 -1.279 1.00 1.03 C ATOM 137 C ILE A 10 -13.579 0.934 -0.174 1.00 1.04 C ATOM 138 O ILE A 10 -13.378 1.292 0.982 1.00 0.99 O ATOM 139 CB ILE A 10 -11.374 0.406 -1.153 1.00 0.93 C ATOM 140 CG1 ILE A 10 -10.315 0.840 -2.154 1.00 0.93 C ATOM 141 CG2 ILE A 10 -11.746 -1.043 -1.374 1.00 0.94 C ATOM 142 CD1 ILE A 10 -8.930 0.322 -1.846 1.00 0.84 C ATOM 0 H ILE A 10 -11.474 2.886 -0.559 1.00 1.03 H new ATOM 0 HA ILE A 10 -13.090 1.142 -2.245 1.00 1.03 H new ATOM 0 HB ILE A 10 -10.968 0.507 -0.146 1.00 0.93 H new ATOM 0 HG12 ILE A 10 -10.607 0.499 -3.147 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -10.285 1.929 -2.187 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -10.856 -1.665 -1.281 1.00 0.94 H new ATOM 0 HG22 ILE A 10 -12.481 -1.348 -0.629 1.00 0.94 H new ATOM 0 HG23 ILE A 10 -12.169 -1.162 -2.371 1.00 0.94 H new ATOM 0 HD11 ILE A 10 -8.232 0.675 -2.605 1.00 0.84 H new ATOM 0 HD12 ILE A 10 -8.615 0.685 -0.867 1.00 0.84 H new ATOM 0 HD13 ILE A 10 -8.942 -0.768 -1.843 1.00 0.84 H new ATOM 154 N HIS A 11 -14.617 0.212 -0.538 1.00 1.13 N ATOM 155 CA HIS A 11 -15.618 -0.222 0.416 1.00 1.17 C ATOM 156 C HIS A 11 -15.141 -1.471 1.153 1.00 1.10 C ATOM 157 O HIS A 11 -14.305 -2.220 0.644 1.00 1.08 O ATOM 158 CB HIS A 11 -16.928 -0.514 -0.307 1.00 1.31 C ATOM 159 CG HIS A 11 -17.672 0.706 -0.748 1.00 1.40 C ATOM 160 ND1 HIS A 11 -17.428 2.007 -0.477 1.00 1.57 N flip ATOM 161 CD2 HIS A 11 -18.784 0.613 -1.548 1.00 1.41 C flip ATOM 162 CE1 HIS A 11 -18.400 2.735 -1.116 1.00 1.64 C flip ATOM 163 NE2 HIS A 11 -19.193 1.855 -1.746 1.00 1.54 N flip ATOM 0 H HIS A 11 -14.791 -0.090 -1.497 1.00 1.13 H new ATOM 0 HA HIS A 11 -15.779 0.573 1.144 1.00 1.17 H new ATOM 0 HB2 HIS A 11 -16.718 -1.133 -1.180 1.00 1.31 H new ATOM 0 HB3 HIS A 11 -17.570 -1.099 0.351 1.00 1.31 H new ATOM 0 HD2 HIS A 11 -19.233 -0.289 -1.936 1.00 1.41 H new ATOM 0 HE1 HIS A 11 -18.506 3.810 -1.112 1.00 1.64 H new ATOM 0 HE2 HIS A 11 -20.007 2.111 -2.306 1.00 1.54 H new ATOM 171 N ARG A 12 -15.671 -1.681 2.349 1.00 1.10 N ATOM 172 CA ARG A 12 -15.323 -2.831 3.165 1.00 1.06 C ATOM 173 C ARG A 12 -15.866 -4.119 2.547 1.00 1.10 C ATOM 174 O ARG A 12 -16.681 -4.082 1.621 1.00 1.17 O ATOM 175 CB ARG A 12 -15.889 -2.630 4.568 1.00 1.08 C ATOM 176 CG ARG A 12 -17.390 -2.413 4.583 1.00 1.15 C ATOM 177 CD ARG A 12 -17.919 -2.390 5.997 1.00 1.20 C ATOM 178 NE ARG A 12 -19.317 -1.970 6.056 1.00 1.31 N ATOM 179 CZ ARG A 12 -19.844 -1.232 7.037 1.00 1.44 C ATOM 180 NH1 ARG A 12 -19.096 -0.837 8.064 1.00 1.51 N ATOM 181 NH2 ARG A 12 -21.123 -0.887 6.990 1.00 1.56 N ATOM 0 H ARG A 12 -16.354 -1.058 2.780 1.00 1.10 H new ATOM 0 HA ARG A 12 -14.238 -2.922 3.218 1.00 1.06 H new ATOM 0 HB2 ARG A 12 -15.649 -3.501 5.178 1.00 1.08 H new ATOM 0 HB3 ARG A 12 -15.400 -1.772 5.030 1.00 1.08 H new ATOM 0 HG2 ARG A 12 -17.630 -1.473 4.086 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -17.881 -3.206 4.020 1.00 1.15 H new ATOM 0 HD2 ARG A 12 -17.821 -3.383 6.436 1.00 1.20 H new ATOM 0 HD3 ARG A 12 -17.312 -1.714 6.599 1.00 1.20 H new ATOM 0 HE ARG A 12 -19.933 -2.260 5.296 1.00 1.31 H new ATOM 0 HH11 ARG A 12 -18.111 -1.097 8.107 1.00 1.51 H new ATOM 0 HH12 ARG A 12 -19.508 -0.274 8.808 1.00 1.51 H new ATOM 0 HH21 ARG A 12 -21.703 -1.185 6.206 1.00 1.56 H new ATOM 0 HH22 ARG A 12 -21.527 -0.324 7.738 1.00 1.56 H new ATOM 256 N TYR A 17 -10.407 -5.809 1.454 1.00 0.70 N ATOM 257 CA TYR A 17 -11.154 -4.810 0.704 1.00 0.74 C ATOM 258 C TYR A 17 -11.153 -5.185 -0.764 1.00 0.83 C ATOM 259 O TYR A 17 -11.621 -4.434 -1.618 1.00 0.92 O ATOM 260 CB TYR A 17 -10.529 -3.427 0.864 1.00 0.70 C ATOM 261 CG TYR A 17 -10.676 -2.832 2.240 1.00 0.66 C ATOM 262 CD1 TYR A 17 -9.749 -3.107 3.225 1.00 0.60 C ATOM 263 CD2 TYR A 17 -11.735 -1.991 2.551 1.00 0.73 C ATOM 264 CE1 TYR A 17 -9.863 -2.574 4.486 1.00 0.61 C ATOM 265 CE2 TYR A 17 -11.864 -1.447 3.814 1.00 0.74 C ATOM 266 CZ TYR A 17 -10.924 -1.741 4.781 1.00 0.69 C ATOM 267 OH TYR A 17 -11.050 -1.203 6.040 1.00 0.73 O ATOM 0 HA TYR A 17 -12.173 -4.780 1.089 1.00 0.74 H new ATOM 0 HB2 TYR A 17 -9.468 -3.491 0.621 1.00 0.70 H new ATOM 0 HB3 TYR A 17 -10.982 -2.751 0.139 1.00 0.70 H new ATOM 0 HD1 TYR A 17 -8.915 -3.756 2.999 1.00 0.60 H new ATOM 0 HD2 TYR A 17 -12.469 -1.758 1.794 1.00 0.73 H new ATOM 0 HE1 TYR A 17 -9.127 -2.805 5.242 1.00 0.61 H new ATOM 0 HE2 TYR A 17 -12.695 -0.796 4.043 1.00 0.74 H new ATOM 0 HH TYR A 17 -11.215 -0.240 5.969 1.00 0.73 H new ATOM 277 N GLY A 18 -10.585 -6.343 -1.056 1.00 0.83 N ATOM 278 CA GLY A 18 -10.538 -6.805 -2.416 1.00 0.95 C ATOM 279 C GLY A 18 -9.163 -6.711 -3.008 1.00 0.92 C ATOM 280 O GLY A 18 -9.000 -6.791 -4.221 1.00 1.03 O ATOM 0 H GLY A 18 -10.157 -6.968 -0.373 1.00 0.83 H new ATOM 0 HA2 GLY A 18 -10.877 -7.840 -2.457 1.00 0.95 H new ATOM 0 HA3 GLY A 18 -11.231 -6.219 -3.020 1.00 0.95 H new ATOM 284 N PHE A 19 -8.169 -6.511 -2.168 1.00 0.79 N ATOM 285 CA PHE A 19 -6.811 -6.430 -2.663 1.00 0.79 C ATOM 286 C PHE A 19 -5.784 -6.970 -1.690 1.00 0.72 C ATOM 287 O PHE A 19 -5.998 -7.078 -0.468 1.00 0.65 O ATOM 288 CB PHE A 19 -6.437 -5.008 -3.082 1.00 0.80 C ATOM 289 CG PHE A 19 -6.205 -4.049 -1.944 1.00 0.71 C ATOM 290 CD1 PHE A 19 -7.268 -3.432 -1.302 1.00 0.70 C ATOM 291 CD2 PHE A 19 -4.915 -3.755 -1.527 1.00 0.67 C ATOM 292 CE1 PHE A 19 -7.048 -2.545 -0.264 1.00 0.64 C ATOM 293 CE2 PHE A 19 -4.691 -2.871 -0.490 1.00 0.59 C ATOM 294 CZ PHE A 19 -5.758 -2.266 0.141 1.00 0.58 C ATOM 0 H PHE A 19 -8.271 -6.403 -1.159 1.00 0.79 H new ATOM 0 HA PHE A 19 -6.792 -7.072 -3.544 1.00 0.79 H new ATOM 0 HB2 PHE A 19 -5.534 -5.051 -3.691 1.00 0.80 H new ATOM 0 HB3 PHE A 19 -7.231 -4.611 -3.715 1.00 0.80 H new ATOM 0 HD1 PHE A 19 -8.279 -3.646 -1.616 1.00 0.70 H new ATOM 0 HD2 PHE A 19 -4.076 -4.223 -2.019 1.00 0.67 H new ATOM 0 HE1 PHE A 19 -7.884 -2.071 0.229 1.00 0.64 H new ATOM 0 HE2 PHE A 19 -3.682 -2.654 -0.173 1.00 0.59 H new ATOM 0 HZ PHE A 19 -5.584 -1.574 0.952 1.00 0.58 H new ATOM 304 N THR A 20 -4.663 -7.298 -2.282 1.00 0.76 N ATOM 305 CA THR A 20 -3.523 -7.843 -1.573 1.00 0.74 C ATOM 306 C THR A 20 -2.435 -6.794 -1.473 1.00 0.71 C ATOM 307 O THR A 20 -1.901 -6.339 -2.486 1.00 0.80 O ATOM 308 CB THR A 20 -2.964 -9.091 -2.289 1.00 0.87 C ATOM 309 OG1 THR A 20 -3.935 -10.148 -2.247 1.00 0.92 O ATOM 310 CG2 THR A 20 -1.655 -9.566 -1.655 1.00 0.89 C ATOM 0 H THR A 20 -4.510 -7.194 -3.285 1.00 0.76 H new ATOM 0 HA THR A 20 -3.853 -8.135 -0.576 1.00 0.74 H new ATOM 0 HB THR A 20 -2.755 -8.820 -3.324 1.00 0.87 H new ATOM 0 HG1 THR A 20 -3.578 -10.938 -2.704 1.00 0.92 H new ATOM 0 HG21 THR A 20 -1.292 -10.446 -2.186 1.00 0.89 H new ATOM 0 HG22 THR A 20 -0.911 -8.772 -1.718 1.00 0.89 H new ATOM 0 HG23 THR A 20 -1.828 -9.819 -0.609 1.00 0.89 H new ATOM 318 N LEU A 21 -2.122 -6.399 -0.259 1.00 0.61 N ATOM 319 CA LEU A 21 -1.094 -5.411 -0.036 1.00 0.60 C ATOM 320 C LEU A 21 0.228 -6.121 0.194 1.00 0.67 C ATOM 321 O LEU A 21 0.301 -7.065 0.982 1.00 0.65 O ATOM 322 CB LEU A 21 -1.446 -4.525 1.160 1.00 0.47 C ATOM 323 CG LEU A 21 -0.416 -3.446 1.501 1.00 0.47 C ATOM 324 CD1 LEU A 21 -0.323 -2.418 0.387 1.00 0.52 C ATOM 325 CD2 LEU A 21 -0.770 -2.772 2.813 1.00 0.39 C ATOM 0 H LEU A 21 -2.567 -6.749 0.590 1.00 0.61 H new ATOM 0 HA LEU A 21 -1.013 -4.767 -0.912 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -2.403 -4.041 0.963 1.00 0.47 H new ATOM 0 HB3 LEU A 21 -1.584 -5.161 2.034 1.00 0.47 H new ATOM 0 HG LEU A 21 0.557 -3.925 1.606 1.00 0.47 H new ATOM 0 HD11 LEU A 21 0.415 -1.661 0.651 1.00 0.52 H new ATOM 0 HD12 LEU A 21 -0.023 -2.910 -0.538 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -1.295 -1.944 0.247 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -0.028 -2.007 3.041 1.00 0.39 H new ATOM 0 HD22 LEU A 21 -1.754 -2.310 2.731 1.00 0.39 H new ATOM 0 HD23 LEU A 21 -0.783 -3.514 3.611 1.00 0.39 H new ATOM 337 N ARG A 22 1.256 -5.702 -0.518 1.00 0.79 N ATOM 338 CA ARG A 22 2.563 -6.308 -0.376 1.00 0.89 C ATOM 339 C ARG A 22 3.613 -5.235 -0.150 1.00 0.90 C ATOM 340 O ARG A 22 3.688 -4.250 -0.888 1.00 0.94 O ATOM 341 CB ARG A 22 2.903 -7.158 -1.601 1.00 1.03 C ATOM 342 CG ARG A 22 2.043 -8.408 -1.742 1.00 1.03 C ATOM 343 CD ARG A 22 2.819 -9.550 -2.384 1.00 1.21 C ATOM 344 NE ARG A 22 3.896 -10.053 -1.533 1.00 1.31 N ATOM 345 CZ ARG A 22 4.562 -11.184 -1.779 1.00 1.47 C ATOM 346 NH1 ARG A 22 4.270 -11.910 -2.851 1.00 1.60 N ATOM 347 NH2 ARG A 22 5.517 -11.592 -0.955 1.00 1.66 N ATOM 0 H ARG A 22 1.210 -4.945 -1.200 1.00 0.79 H new ATOM 0 HA ARG A 22 2.550 -6.967 0.492 1.00 0.89 H new ATOM 0 HB2 ARG A 22 2.790 -6.548 -2.497 1.00 1.03 H new ATOM 0 HB3 ARG A 22 3.951 -7.454 -1.547 1.00 1.03 H new ATOM 0 HG2 ARG A 22 1.685 -8.717 -0.760 1.00 1.03 H new ATOM 0 HG3 ARG A 22 1.164 -8.180 -2.345 1.00 1.03 H new ATOM 0 HD2 ARG A 22 2.133 -10.365 -2.614 1.00 1.21 H new ATOM 0 HD3 ARG A 22 3.239 -9.211 -3.331 1.00 1.21 H new ATOM 0 HE ARG A 22 4.152 -9.511 -0.708 1.00 1.31 H new ATOM 0 HH11 ARG A 22 3.535 -11.604 -3.489 1.00 1.60 H new ATOM 0 HH12 ARG A 22 4.780 -12.773 -3.037 1.00 1.60 H new ATOM 0 HH21 ARG A 22 5.747 -11.041 -0.128 1.00 1.66 H new ATOM 0 HH22 ARG A 22 6.022 -12.457 -1.148 1.00 1.66 H new ATOM 361 N ALA A 23 4.402 -5.423 0.888 1.00 0.90 N ATOM 362 CA ALA A 23 5.444 -4.481 1.238 1.00 0.92 C ATOM 363 C ALA A 23 6.740 -4.827 0.523 1.00 1.06 C ATOM 364 O ALA A 23 7.472 -5.725 0.948 1.00 1.07 O ATOM 365 CB ALA A 23 5.648 -4.469 2.742 1.00 0.90 C ATOM 0 H ALA A 23 4.339 -6.229 1.510 1.00 0.90 H new ATOM 0 HA ALA A 23 5.138 -3.485 0.919 1.00 0.92 H new ATOM 0 HB1 ALA A 23 6.434 -3.758 2.997 1.00 0.90 H new ATOM 0 HB2 ALA A 23 4.720 -4.176 3.233 1.00 0.90 H new ATOM 0 HB3 ALA A 23 5.937 -5.465 3.078 1.00 0.90 H new ATOM 371 N ILE A 24 7.008 -4.125 -0.566 1.00 1.19 N ATOM 372 CA ILE A 24 8.218 -4.352 -1.339 1.00 1.33 C ATOM 373 C ILE A 24 9.385 -3.610 -0.702 1.00 1.38 C ATOM 374 O ILE A 24 9.273 -2.431 -0.354 1.00 1.29 O ATOM 375 CB ILE A 24 8.062 -3.925 -2.819 1.00 1.38 C ATOM 376 CG1 ILE A 24 7.410 -2.543 -2.932 1.00 1.29 C ATOM 377 CG2 ILE A 24 7.247 -4.960 -3.579 1.00 1.42 C ATOM 378 CD1 ILE A 24 7.557 -1.914 -4.301 1.00 1.35 C ATOM 0 H ILE A 24 6.403 -3.392 -0.935 1.00 1.19 H new ATOM 0 HA ILE A 24 8.412 -5.424 -1.332 1.00 1.33 H new ATOM 0 HB ILE A 24 9.056 -3.862 -3.261 1.00 1.38 H new ATOM 0 HG12 ILE A 24 6.350 -2.630 -2.693 1.00 1.29 H new ATOM 0 HG13 ILE A 24 7.851 -1.880 -2.188 1.00 1.29 H new ATOM 0 HG21 ILE A 24 7.143 -4.650 -4.619 1.00 1.42 H new ATOM 0 HG22 ILE A 24 7.753 -5.924 -3.537 1.00 1.42 H new ATOM 0 HG23 ILE A 24 6.259 -5.049 -3.127 1.00 1.42 H new ATOM 0 HD11 ILE A 24 7.072 -0.938 -4.307 1.00 1.35 H new ATOM 0 HD12 ILE A 24 8.615 -1.795 -4.535 1.00 1.35 H new ATOM 0 HD13 ILE A 24 7.090 -2.556 -5.048 1.00 1.35 H new ATOM 561 N VAL A 36 10.974 0.434 2.817 1.00 1.22 N ATOM 562 CA VAL A 36 9.835 -0.420 2.539 1.00 1.15 C ATOM 563 C VAL A 36 8.670 0.381 1.967 1.00 1.08 C ATOM 564 O VAL A 36 8.227 1.370 2.553 1.00 1.07 O ATOM 565 CB VAL A 36 9.388 -1.192 3.806 1.00 1.11 C ATOM 566 CG1 VAL A 36 9.183 -0.248 4.983 1.00 1.09 C ATOM 567 CG2 VAL A 36 8.126 -1.998 3.538 1.00 1.04 C ATOM 0 HA VAL A 36 10.150 -1.147 1.790 1.00 1.15 H new ATOM 0 HB VAL A 36 10.186 -1.887 4.067 1.00 1.11 H new ATOM 0 HG11 VAL A 36 8.870 -0.819 5.857 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.118 0.268 5.203 1.00 1.09 H new ATOM 0 HG13 VAL A 36 8.415 0.484 4.733 1.00 1.09 H new ATOM 0 HG21 VAL A 36 7.835 -2.530 4.444 1.00 1.04 H new ATOM 0 HG22 VAL A 36 7.322 -1.326 3.237 1.00 1.04 H new ATOM 0 HG23 VAL A 36 8.316 -2.717 2.741 1.00 1.04 H new ATOM 577 N HIS A 37 8.204 -0.037 0.801 1.00 1.06 N ATOM 578 CA HIS A 37 7.083 0.616 0.151 1.00 1.01 C ATOM 579 C HIS A 37 5.857 -0.271 0.252 1.00 0.93 C ATOM 580 O HIS A 37 5.968 -1.498 0.301 1.00 0.97 O ATOM 581 CB HIS A 37 7.381 0.912 -1.319 1.00 1.10 C ATOM 582 CG HIS A 37 8.367 2.021 -1.537 1.00 1.18 C ATOM 583 ND1 HIS A 37 7.957 3.293 -1.859 1.00 1.25 N ATOM 584 CD2 HIS A 37 9.719 1.991 -1.495 1.00 1.26 C ATOM 585 CE1 HIS A 37 9.064 4.001 -2.007 1.00 1.33 C ATOM 586 NE2 HIS A 37 10.157 3.256 -1.796 1.00 1.34 N ATOM 0 H HIS A 37 8.588 -0.829 0.285 1.00 1.06 H new ATOM 0 HA HIS A 37 6.903 1.565 0.655 1.00 1.01 H new ATOM 0 HB2 HIS A 37 7.761 0.006 -1.790 1.00 1.10 H new ATOM 0 HB3 HIS A 37 6.448 1.166 -1.823 1.00 1.10 H new ATOM 0 HD2 HIS A 37 10.336 1.134 -1.268 1.00 1.26 H new ATOM 0 HE1 HIS A 37 9.084 5.049 -2.266 1.00 1.33 H new ATOM 0 HE2 HIS A 37 11.127 3.568 -1.849 1.00 1.34 H new ATOM 594 N HIS A 38 4.698 0.349 0.275 1.00 0.82 N ATOM 595 CA HIS A 38 3.449 -0.382 0.379 1.00 0.74 C ATOM 596 C HIS A 38 2.708 -0.314 -0.941 1.00 0.78 C ATOM 597 O HIS A 38 2.119 0.711 -1.293 1.00 0.77 O ATOM 598 CB HIS A 38 2.597 0.173 1.522 1.00 0.62 C ATOM 599 CG HIS A 38 3.312 0.161 2.838 1.00 0.59 C ATOM 600 ND1 HIS A 38 3.815 1.195 3.556 1.00 0.60 N flip ATOM 601 CD2 HIS A 38 3.599 -1.018 3.485 1.00 0.59 C flip ATOM 602 CE1 HIS A 38 4.424 0.651 4.658 1.00 0.61 C flip ATOM 603 NE2 HIS A 38 4.271 -0.677 4.569 1.00 0.60 N flip ATOM 0 H HIS A 38 4.592 1.362 0.223 1.00 0.82 H new ATOM 0 HA HIS A 38 3.661 -1.427 0.603 1.00 0.74 H new ATOM 0 HB2 HIS A 38 2.300 1.194 1.285 1.00 0.62 H new ATOM 0 HB3 HIS A 38 1.682 -0.414 1.605 1.00 0.62 H new ATOM 0 HD1 HIS A 38 3.753 2.186 3.322 1.00 0.60 H new ATOM 0 HD2 HIS A 38 3.330 -2.016 3.171 1.00 0.59 H new ATOM 0 HE1 HIS A 38 4.930 1.190 5.446 1.00 0.61 H new ATOM 611 N MET A 39 2.756 -1.406 -1.679 1.00 0.84 N ATOM 612 CA MET A 39 2.117 -1.468 -2.979 1.00 0.91 C ATOM 613 C MET A 39 1.087 -2.581 -3.048 1.00 0.88 C ATOM 614 O MET A 39 1.301 -3.683 -2.542 1.00 0.87 O ATOM 615 CB MET A 39 3.177 -1.673 -4.074 1.00 1.05 C ATOM 616 CG MET A 39 2.619 -2.211 -5.386 1.00 1.11 C ATOM 617 SD MET A 39 2.929 -3.974 -5.616 1.00 1.16 S ATOM 618 CE MET A 39 4.402 -3.919 -6.626 1.00 1.33 C ATOM 0 H MET A 39 3.232 -2.264 -1.400 1.00 0.84 H new ATOM 0 HA MET A 39 1.599 -0.522 -3.139 1.00 0.91 H new ATOM 0 HB2 MET A 39 3.675 -0.722 -4.266 1.00 1.05 H new ATOM 0 HB3 MET A 39 3.937 -2.362 -3.705 1.00 1.05 H new ATOM 0 HG2 MET A 39 1.545 -2.030 -5.419 1.00 1.11 H new ATOM 0 HG3 MET A 39 3.061 -1.659 -6.216 1.00 1.11 H new ATOM 0 HE1 MET A 39 4.985 -4.827 -6.469 1.00 1.33 H new ATOM 0 HE2 MET A 39 4.120 -3.846 -7.676 1.00 1.33 H new ATOM 0 HE3 MET A 39 5.001 -3.051 -6.349 1.00 1.33 H new ATOM 628 N VAL A 40 -0.053 -2.267 -3.644 1.00 0.87 N ATOM 629 CA VAL A 40 -1.093 -3.251 -3.848 1.00 0.87 C ATOM 630 C VAL A 40 -0.590 -4.216 -4.916 1.00 1.00 C ATOM 631 O VAL A 40 -0.326 -3.820 -6.048 1.00 1.10 O ATOM 632 CB VAL A 40 -2.428 -2.589 -4.266 1.00 0.87 C ATOM 633 CG1 VAL A 40 -2.169 -1.361 -5.122 1.00 0.94 C ATOM 634 CG2 VAL A 40 -3.329 -3.573 -4.997 1.00 0.93 C ATOM 0 H VAL A 40 -0.277 -1.335 -3.994 1.00 0.87 H new ATOM 0 HA VAL A 40 -1.302 -3.783 -2.920 1.00 0.87 H new ATOM 0 HB VAL A 40 -2.945 -2.277 -3.359 1.00 0.87 H new ATOM 0 HG11 VAL A 40 -3.119 -0.909 -5.406 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -1.579 -0.640 -4.555 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.622 -1.652 -6.019 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -4.258 -3.077 -5.277 1.00 0.93 H new ATOM 0 HG22 VAL A 40 -2.824 -3.931 -5.894 1.00 0.93 H new ATOM 0 HG23 VAL A 40 -3.551 -4.417 -4.344 1.00 0.93 H new ATOM 644 N TRP A 41 -0.439 -5.467 -4.544 1.00 1.00 N ATOM 645 CA TRP A 41 0.108 -6.475 -5.439 1.00 1.13 C ATOM 646 C TRP A 41 -0.941 -7.074 -6.361 1.00 1.19 C ATOM 647 O TRP A 41 -0.648 -7.416 -7.507 1.00 1.30 O ATOM 648 CB TRP A 41 0.759 -7.579 -4.611 1.00 1.14 C ATOM 649 CG TRP A 41 1.395 -8.660 -5.429 1.00 1.32 C ATOM 650 CD1 TRP A 41 0.883 -9.899 -5.693 1.00 1.39 C ATOM 651 CD2 TRP A 41 2.662 -8.599 -6.090 1.00 1.46 C ATOM 652 NE1 TRP A 41 1.757 -10.610 -6.478 1.00 1.56 N ATOM 653 CE2 TRP A 41 2.858 -9.836 -6.734 1.00 1.61 C ATOM 654 CE3 TRP A 41 3.653 -7.619 -6.197 1.00 1.50 C ATOM 655 CZ2 TRP A 41 4.000 -10.113 -7.479 1.00 1.78 C ATOM 656 CZ3 TRP A 41 4.786 -7.898 -6.938 1.00 1.69 C ATOM 657 CH2 TRP A 41 4.954 -9.137 -7.568 1.00 1.82 C ATOM 0 H TRP A 41 -0.689 -5.818 -3.619 1.00 1.00 H new ATOM 0 HA TRP A 41 0.846 -5.985 -6.075 1.00 1.13 H new ATOM 0 HB2 TRP A 41 1.515 -7.135 -3.963 1.00 1.14 H new ATOM 0 HB3 TRP A 41 0.005 -8.025 -3.962 1.00 1.14 H new ATOM 0 HD1 TRP A 41 -0.069 -10.265 -5.337 1.00 1.39 H new ATOM 0 HE1 TRP A 41 1.610 -11.561 -6.816 1.00 1.56 H new ATOM 0 HE3 TRP A 41 3.536 -6.662 -5.710 1.00 1.50 H new ATOM 0 HZ2 TRP A 41 4.129 -11.066 -7.970 1.00 1.78 H new ATOM 0 HZ3 TRP A 41 5.556 -7.146 -7.033 1.00 1.69 H new ATOM 0 HH2 TRP A 41 5.854 -9.326 -8.135 1.00 1.82 H new ATOM 668 N HIS A 42 -2.158 -7.206 -5.871 1.00 1.12 N ATOM 669 CA HIS A 42 -3.221 -7.797 -6.667 1.00 1.19 C ATOM 670 C HIS A 42 -4.572 -7.262 -6.226 1.00 1.12 C ATOM 671 O HIS A 42 -4.742 -6.859 -5.075 1.00 1.01 O ATOM 672 CB HIS A 42 -3.169 -9.327 -6.508 1.00 1.23 C ATOM 673 CG HIS A 42 -4.108 -10.093 -7.390 1.00 1.31 C ATOM 674 ND1 HIS A 42 -5.418 -10.305 -7.030 1.00 1.33 N ATOM 675 CD2 HIS A 42 -3.872 -10.698 -8.576 1.00 1.40 C ATOM 676 CE1 HIS A 42 -5.948 -11.028 -8.001 1.00 1.42 C ATOM 677 NE2 HIS A 42 -5.047 -11.289 -8.958 1.00 1.46 N ATOM 0 H HIS A 42 -2.436 -6.915 -4.934 1.00 1.12 H new ATOM 0 HA HIS A 42 -3.082 -7.535 -7.716 1.00 1.19 H new ATOM 0 HB2 HIS A 42 -2.152 -9.663 -6.709 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -3.387 -9.576 -5.469 1.00 1.23 H new ATOM 0 HD2 HIS A 42 -2.938 -10.712 -9.117 1.00 1.40 H new ATOM 0 HE1 HIS A 42 -6.974 -11.365 -8.021 1.00 1.42 H new ATOM 0 HE2 HIS A 42 -5.206 -11.826 -9.810 1.00 1.46 H new ATOM 685 N VAL A 43 -5.519 -7.247 -7.154 1.00 1.20 N ATOM 686 CA VAL A 43 -6.864 -6.773 -6.882 1.00 1.18 C ATOM 687 C VAL A 43 -7.876 -7.795 -7.393 1.00 1.24 C ATOM 688 O VAL A 43 -7.815 -8.201 -8.555 1.00 1.37 O ATOM 689 CB VAL A 43 -7.141 -5.404 -7.550 1.00 1.21 C ATOM 690 CG1 VAL A 43 -8.515 -4.885 -7.155 1.00 1.20 C ATOM 691 CG2 VAL A 43 -6.070 -4.389 -7.181 1.00 1.14 C ATOM 0 H VAL A 43 -5.375 -7.563 -8.113 1.00 1.20 H new ATOM 0 HA VAL A 43 -6.960 -6.647 -5.804 1.00 1.18 H new ATOM 0 HB VAL A 43 -7.117 -5.548 -8.630 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -8.692 -3.922 -7.634 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -9.278 -5.595 -7.475 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -8.561 -4.766 -6.073 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -6.289 -3.437 -7.664 1.00 1.14 H new ATOM 0 HG22 VAL A 43 -6.055 -4.253 -6.100 1.00 1.14 H new ATOM 0 HG23 VAL A 43 -5.097 -4.749 -7.515 1.00 1.14 H new ATOM 701 N GLU A 44 -8.782 -8.223 -6.520 1.00 1.17 N ATOM 702 CA GLU A 44 -9.798 -9.192 -6.867 1.00 1.23 C ATOM 703 C GLU A 44 -10.672 -8.682 -8.009 1.00 1.34 C ATOM 704 O GLU A 44 -11.089 -7.521 -8.010 1.00 1.35 O ATOM 705 CB GLU A 44 -10.665 -9.469 -5.648 1.00 1.16 C ATOM 706 CG GLU A 44 -9.888 -9.783 -4.378 1.00 1.11 C ATOM 707 CD GLU A 44 -9.147 -11.100 -4.440 1.00 1.19 C ATOM 708 OE1 GLU A 44 -9.671 -12.061 -5.039 1.00 1.17 O ATOM 709 OE2 GLU A 44 -8.041 -11.186 -3.870 1.00 1.54 O ATOM 0 H GLU A 44 -8.827 -7.903 -5.552 1.00 1.17 H new ATOM 0 HA GLU A 44 -9.307 -10.109 -7.193 1.00 1.23 H new ATOM 0 HB2 GLU A 44 -11.300 -8.602 -5.465 1.00 1.16 H new ATOM 0 HB3 GLU A 44 -11.326 -10.307 -5.871 1.00 1.16 H new ATOM 0 HG2 GLU A 44 -9.174 -8.981 -4.189 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -10.577 -9.801 -3.534 1.00 1.11 H new ATOM 716 N ASP A 45 -10.954 -9.558 -8.966 1.00 1.44 N ATOM 717 CA ASP A 45 -11.779 -9.206 -10.119 1.00 1.55 C ATOM 718 C ASP A 45 -13.184 -8.825 -9.675 1.00 1.55 C ATOM 719 O ASP A 45 -13.936 -9.659 -9.169 1.00 1.60 O ATOM 720 CB ASP A 45 -11.842 -10.371 -11.116 1.00 1.69 C ATOM 721 CG ASP A 45 -10.606 -10.466 -11.990 1.00 1.81 C ATOM 722 OD1 ASP A 45 -10.522 -9.729 -12.993 1.00 1.94 O ATOM 723 OD2 ASP A 45 -9.711 -11.284 -11.682 1.00 1.92 O ATOM 0 H ASP A 45 -10.622 -10.523 -8.967 1.00 1.44 H new ATOM 0 HA ASP A 45 -11.322 -8.348 -10.613 1.00 1.55 H new ATOM 0 HB2 ASP A 45 -11.966 -11.305 -10.568 1.00 1.69 H new ATOM 0 HB3 ASP A 45 -12.721 -10.253 -11.750 1.00 1.69 H new ATOM 728 N GLY A 46 -13.528 -7.555 -9.842 1.00 1.54 N ATOM 729 CA GLY A 46 -14.841 -7.088 -9.452 1.00 1.56 C ATOM 730 C GLY A 46 -14.930 -6.805 -7.966 1.00 1.46 C ATOM 731 O GLY A 46 -16.025 -6.646 -7.420 1.00 1.49 O ATOM 0 H GLY A 46 -12.920 -6.840 -10.241 1.00 1.54 H new ATOM 0 HA2 GLY A 46 -15.082 -6.182 -10.008 1.00 1.56 H new ATOM 0 HA3 GLY A 46 -15.586 -7.836 -9.723 1.00 1.56 H new ATOM 735 N GLY A 47 -13.778 -6.745 -7.310 1.00 1.37 N ATOM 736 CA GLY A 47 -13.745 -6.480 -5.888 1.00 1.28 C ATOM 737 C GLY A 47 -14.022 -5.025 -5.578 1.00 1.27 C ATOM 738 O GLY A 47 -14.050 -4.197 -6.485 1.00 1.33 O ATOM 0 H GLY A 47 -12.863 -6.876 -7.741 1.00 1.37 H new ATOM 0 HA2 GLY A 47 -14.483 -7.105 -5.385 1.00 1.28 H new ATOM 0 HA3 GLY A 47 -12.769 -6.756 -5.490 1.00 1.28 H new ATOM 742 N PRO A 48 -14.207 -4.680 -4.299 1.00 1.20 N ATOM 743 CA PRO A 48 -14.488 -3.306 -3.868 1.00 1.20 C ATOM 744 C PRO A 48 -13.399 -2.364 -4.313 1.00 1.16 C ATOM 745 O PRO A 48 -13.659 -1.276 -4.825 1.00 1.21 O ATOM 746 CB PRO A 48 -14.487 -3.432 -2.344 1.00 1.13 C ATOM 747 CG PRO A 48 -14.891 -4.821 -2.115 1.00 1.13 C ATOM 748 CD PRO A 48 -14.147 -5.588 -3.149 1.00 1.13 C ATOM 0 HA PRO A 48 -15.415 -2.907 -4.281 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -13.502 -3.226 -1.925 1.00 1.13 H new ATOM 0 HB3 PRO A 48 -15.182 -2.731 -1.883 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -14.631 -5.151 -1.109 1.00 1.13 H new ATOM 0 HG3 PRO A 48 -15.968 -4.946 -2.223 1.00 1.13 H new ATOM 0 HD2 PRO A 48 -13.121 -5.795 -2.845 1.00 1.13 H new ATOM 0 HD3 PRO A 48 -14.616 -6.549 -3.362 1.00 1.13 H new ATOM 756 N ALA A 49 -12.176 -2.803 -4.106 1.00 1.09 N ATOM 757 CA ALA A 49 -11.009 -2.025 -4.500 1.00 1.06 C ATOM 758 C ALA A 49 -10.966 -1.851 -6.009 1.00 1.16 C ATOM 759 O ALA A 49 -10.605 -0.787 -6.510 1.00 1.19 O ATOM 760 CB ALA A 49 -9.728 -2.673 -4.002 1.00 0.97 C ATOM 0 H ALA A 49 -11.958 -3.697 -3.666 1.00 1.09 H new ATOM 0 HA ALA A 49 -11.091 -1.040 -4.040 1.00 1.06 H new ATOM 0 HB1 ALA A 49 -8.873 -2.072 -4.310 1.00 0.97 H new ATOM 0 HB2 ALA A 49 -9.753 -2.739 -2.914 1.00 0.97 H new ATOM 0 HB3 ALA A 49 -9.639 -3.674 -4.424 1.00 0.97 H new ATOM 766 N SER A 50 -11.356 -2.895 -6.719 1.00 1.23 N ATOM 767 CA SER A 50 -11.385 -2.872 -8.168 1.00 1.34 C ATOM 768 C SER A 50 -12.387 -1.828 -8.636 1.00 1.40 C ATOM 769 O SER A 50 -12.157 -1.112 -9.610 1.00 1.46 O ATOM 770 CB SER A 50 -11.792 -4.249 -8.686 1.00 1.41 C ATOM 771 OG SER A 50 -11.149 -4.564 -9.906 1.00 1.45 O ATOM 0 H SER A 50 -11.660 -3.778 -6.308 1.00 1.23 H new ATOM 0 HA SER A 50 -10.397 -2.619 -8.553 1.00 1.34 H new ATOM 0 HB2 SER A 50 -11.546 -5.005 -7.940 1.00 1.41 H new ATOM 0 HB3 SER A 50 -12.872 -4.279 -8.826 1.00 1.41 H new ATOM 0 HG SER A 50 -11.433 -5.453 -10.205 1.00 1.45 H new ATOM 777 N GLU A 51 -13.485 -1.736 -7.899 1.00 1.39 N ATOM 778 CA GLU A 51 -14.551 -0.796 -8.206 1.00 1.46 C ATOM 779 C GLU A 51 -14.146 0.619 -7.828 1.00 1.45 C ATOM 780 O GLU A 51 -14.578 1.592 -8.442 1.00 1.55 O ATOM 781 CB GLU A 51 -15.823 -1.188 -7.456 1.00 1.47 C ATOM 782 CG GLU A 51 -16.342 -2.564 -7.818 1.00 1.50 C ATOM 783 CD GLU A 51 -17.789 -2.756 -7.423 1.00 1.58 C ATOM 784 OE1 GLU A 51 -18.658 -2.045 -7.968 1.00 1.84 O ATOM 785 OE2 GLU A 51 -18.066 -3.615 -6.563 1.00 1.55 O ATOM 0 H GLU A 51 -13.661 -2.310 -7.074 1.00 1.39 H new ATOM 0 HA GLU A 51 -14.740 -0.828 -9.279 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -15.628 -1.153 -6.384 1.00 1.47 H new ATOM 0 HB3 GLU A 51 -16.598 -0.451 -7.663 1.00 1.47 H new ATOM 0 HG2 GLU A 51 -16.238 -2.718 -8.892 1.00 1.50 H new ATOM 0 HG3 GLU A 51 -15.730 -3.321 -7.327 1.00 1.50 H new ATOM 792 N ALA A 52 -13.317 0.714 -6.807 1.00 1.33 N ATOM 793 CA ALA A 52 -12.835 1.994 -6.320 1.00 1.31 C ATOM 794 C ALA A 52 -11.778 2.571 -7.254 1.00 1.34 C ATOM 795 O ALA A 52 -11.528 3.776 -7.259 1.00 1.36 O ATOM 796 CB ALA A 52 -12.285 1.825 -4.921 1.00 1.20 C ATOM 0 H ALA A 52 -12.959 -0.090 -6.292 1.00 1.33 H new ATOM 0 HA ALA A 52 -13.666 2.699 -6.293 1.00 1.31 H new ATOM 0 HB1 ALA A 52 -11.923 2.785 -4.554 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -13.072 1.458 -4.262 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -11.463 1.109 -4.937 1.00 1.20 H new ATOM 802 N GLY A 53 -11.156 1.704 -8.038 1.00 1.35 N ATOM 803 CA GLY A 53 -10.150 2.148 -8.970 1.00 1.39 C ATOM 804 C GLY A 53 -8.746 1.753 -8.567 1.00 1.31 C ATOM 805 O GLY A 53 -7.776 2.186 -9.190 1.00 1.33 O ATOM 0 H GLY A 53 -11.333 0.699 -8.043 1.00 1.35 H new ATOM 0 HA2 GLY A 53 -10.368 1.734 -9.954 1.00 1.39 H new ATOM 0 HA3 GLY A 53 -10.203 3.233 -9.062 1.00 1.39 H new ATOM 809 N LEU A 54 -8.622 0.944 -7.524 1.00 1.22 N ATOM 810 CA LEU A 54 -7.315 0.508 -7.070 1.00 1.14 C ATOM 811 C LEU A 54 -6.715 -0.441 -8.090 1.00 1.21 C ATOM 812 O LEU A 54 -7.361 -1.385 -8.543 1.00 1.26 O ATOM 813 CB LEU A 54 -7.406 -0.183 -5.714 1.00 1.04 C ATOM 814 CG LEU A 54 -6.368 0.254 -4.671 1.00 0.94 C ATOM 815 CD1 LEU A 54 -6.123 -0.854 -3.665 1.00 0.85 C ATOM 816 CD2 LEU A 54 -5.063 0.658 -5.334 1.00 0.96 C ATOM 0 H LEU A 54 -9.406 0.580 -6.982 1.00 1.22 H new ATOM 0 HA LEU A 54 -6.678 1.386 -6.962 1.00 1.14 H new ATOM 0 HB2 LEU A 54 -8.401 -0.008 -5.304 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -7.309 -1.258 -5.868 1.00 1.04 H new ATOM 0 HG LEU A 54 -6.767 1.122 -4.147 1.00 0.94 H new ATOM 0 HD11 LEU A 54 -5.384 -0.525 -2.934 1.00 0.85 H new ATOM 0 HD12 LEU A 54 -7.056 -1.095 -3.155 1.00 0.85 H new ATOM 0 HD13 LEU A 54 -5.753 -1.739 -4.182 1.00 0.85 H new ATOM 0 HD21 LEU A 54 -4.346 0.963 -4.571 1.00 0.96 H new ATOM 0 HD22 LEU A 54 -4.661 -0.188 -5.892 1.00 0.96 H new ATOM 0 HD23 LEU A 54 -5.243 1.489 -6.015 1.00 0.96 H new ATOM 828 N ARG A 55 -5.481 -0.173 -8.449 1.00 1.21 N ATOM 829 CA ARG A 55 -4.769 -0.977 -9.423 1.00 1.28 C ATOM 830 C ARG A 55 -3.521 -1.569 -8.802 1.00 1.23 C ATOM 831 O ARG A 55 -2.791 -0.886 -8.090 1.00 1.18 O ATOM 832 CB ARG A 55 -4.394 -0.115 -10.625 1.00 1.36 C ATOM 833 CG ARG A 55 -5.559 0.692 -11.162 1.00 1.41 C ATOM 834 CD ARG A 55 -6.476 -0.162 -12.021 1.00 1.51 C ATOM 835 NE ARG A 55 -7.802 0.434 -12.171 1.00 1.57 N ATOM 836 CZ ARG A 55 -8.945 -0.240 -12.036 1.00 1.58 C ATOM 837 NH1 ARG A 55 -8.927 -1.539 -11.752 1.00 1.55 N ATOM 838 NH2 ARG A 55 -10.109 0.388 -12.181 1.00 1.68 N ATOM 0 H ARG A 55 -4.940 0.607 -8.076 1.00 1.21 H new ATOM 0 HA ARG A 55 -5.415 -1.791 -9.752 1.00 1.28 H new ATOM 0 HB2 ARG A 55 -3.589 0.563 -10.342 1.00 1.36 H new ATOM 0 HB3 ARG A 55 -4.007 -0.755 -11.418 1.00 1.36 H new ATOM 0 HG2 ARG A 55 -6.125 1.114 -10.331 1.00 1.41 H new ATOM 0 HG3 ARG A 55 -5.183 1.530 -11.750 1.00 1.41 H new ATOM 0 HD2 ARG A 55 -6.027 -0.298 -13.005 1.00 1.51 H new ATOM 0 HD3 ARG A 55 -6.572 -1.152 -11.575 1.00 1.51 H new ATOM 0 HE ARG A 55 -7.857 1.428 -12.393 1.00 1.57 H new ATOM 0 HH11 ARG A 55 -8.037 -2.024 -11.637 1.00 1.55 H new ATOM 0 HH12 ARG A 55 -9.803 -2.051 -11.650 1.00 1.55 H new ATOM 0 HH21 ARG A 55 -10.127 1.385 -12.395 1.00 1.68 H new ATOM 0 HH22 ARG A 55 -10.983 -0.128 -12.078 1.00 1.68 H new ATOM 852 N GLN A 56 -3.284 -2.841 -9.061 1.00 1.29 N ATOM 853 CA GLN A 56 -2.111 -3.496 -8.518 1.00 1.27 C ATOM 854 C GLN A 56 -0.856 -2.983 -9.214 1.00 1.33 C ATOM 855 O GLN A 56 -0.838 -2.802 -10.434 1.00 1.41 O ATOM 856 CB GLN A 56 -2.208 -5.021 -8.629 1.00 1.34 C ATOM 857 CG GLN A 56 -3.236 -5.509 -9.616 1.00 1.40 C ATOM 858 CD GLN A 56 -2.932 -6.886 -10.158 1.00 1.53 C ATOM 859 OE1 GLN A 56 -3.521 -7.877 -9.738 1.00 1.56 O ATOM 860 NE2 GLN A 56 -2.001 -6.957 -11.093 1.00 1.78 N ATOM 0 H GLN A 56 -3.881 -3.435 -9.637 1.00 1.29 H new ATOM 0 HA GLN A 56 -2.053 -3.253 -7.457 1.00 1.27 H new ATOM 0 HB2 GLN A 56 -1.233 -5.415 -8.914 1.00 1.34 H new ATOM 0 HB3 GLN A 56 -2.442 -5.430 -7.646 1.00 1.34 H new ATOM 0 HG2 GLN A 56 -4.214 -5.522 -9.136 1.00 1.40 H new ATOM 0 HG3 GLN A 56 -3.298 -4.804 -10.445 1.00 1.40 H new ATOM 0 HE21 GLN A 56 -1.535 -6.108 -11.414 1.00 1.78 H new ATOM 0 HE22 GLN A 56 -1.748 -7.860 -11.493 1.00 1.78 H new ATOM 869 N GLY A 57 0.177 -2.728 -8.432 1.00 1.30 N ATOM 870 CA GLY A 57 1.426 -2.235 -8.975 1.00 1.37 C ATOM 871 C GLY A 57 1.597 -0.737 -8.805 1.00 1.33 C ATOM 872 O GLY A 57 2.518 -0.155 -9.373 1.00 1.39 O ATOM 0 H GLY A 57 0.174 -2.854 -7.420 1.00 1.30 H new ATOM 0 HA2 GLY A 57 2.255 -2.747 -8.487 1.00 1.37 H new ATOM 0 HA3 GLY A 57 1.478 -2.483 -10.035 1.00 1.37 H new ATOM 876 N ASP A 58 0.701 -0.106 -8.051 1.00 1.24 N ATOM 877 CA ASP A 58 0.802 1.333 -7.786 1.00 1.21 C ATOM 878 C ASP A 58 1.625 1.547 -6.528 1.00 1.13 C ATOM 879 O ASP A 58 2.358 0.661 -6.098 1.00 1.13 O ATOM 880 CB ASP A 58 -0.571 1.985 -7.566 1.00 1.16 C ATOM 881 CG ASP A 58 -1.478 1.943 -8.785 1.00 1.26 C ATOM 882 OD1 ASP A 58 -0.959 1.768 -9.912 1.00 1.43 O ATOM 883 OD2 ASP A 58 -2.711 2.058 -8.624 1.00 1.29 O ATOM 0 H ASP A 58 -0.100 -0.562 -7.613 1.00 1.24 H new ATOM 0 HA ASP A 58 1.266 1.792 -8.659 1.00 1.21 H new ATOM 0 HB2 ASP A 58 -1.071 1.484 -6.737 1.00 1.16 H new ATOM 0 HB3 ASP A 58 -0.425 3.024 -7.270 1.00 1.16 H new ATOM 888 N LEU A 59 1.498 2.717 -5.935 1.00 1.06 N ATOM 889 CA LEU A 59 2.192 3.025 -4.717 1.00 0.99 C ATOM 890 C LEU A 59 1.253 3.747 -3.778 1.00 0.89 C ATOM 891 O LEU A 59 0.784 4.843 -4.076 1.00 0.90 O ATOM 892 CB LEU A 59 3.431 3.885 -4.973 1.00 1.05 C ATOM 893 CG LEU A 59 4.741 3.118 -5.107 1.00 1.13 C ATOM 894 CD1 LEU A 59 5.901 4.080 -5.309 1.00 1.19 C ATOM 895 CD2 LEU A 59 4.990 2.243 -3.885 1.00 1.06 C ATOM 0 H LEU A 59 0.912 3.473 -6.288 1.00 1.06 H new ATOM 0 HA LEU A 59 2.526 2.089 -4.269 1.00 0.99 H new ATOM 0 HB2 LEU A 59 3.271 4.460 -5.885 1.00 1.05 H new ATOM 0 HB3 LEU A 59 3.530 4.601 -4.157 1.00 1.05 H new ATOM 0 HG LEU A 59 4.664 2.470 -5.980 1.00 1.13 H new ATOM 0 HD11 LEU A 59 6.829 3.516 -5.403 1.00 1.19 H new ATOM 0 HD12 LEU A 59 5.737 4.662 -6.216 1.00 1.19 H new ATOM 0 HD13 LEU A 59 5.970 4.752 -4.453 1.00 1.19 H new ATOM 0 HD21 LEU A 59 5.931 1.707 -4.007 1.00 1.06 H new ATOM 0 HD22 LEU A 59 5.042 2.869 -2.994 1.00 1.06 H new ATOM 0 HD23 LEU A 59 4.176 1.526 -3.779 1.00 1.06 H new ATOM 907 N ILE A 60 0.939 3.115 -2.674 1.00 0.80 N ATOM 908 CA ILE A 60 0.066 3.727 -1.698 1.00 0.71 C ATOM 909 C ILE A 60 0.872 4.698 -0.838 1.00 0.68 C ATOM 910 O ILE A 60 1.767 4.293 -0.098 1.00 0.66 O ATOM 911 CB ILE A 60 -0.620 2.667 -0.812 1.00 0.62 C ATOM 912 CG1 ILE A 60 -1.518 1.763 -1.669 1.00 0.67 C ATOM 913 CG2 ILE A 60 -1.423 3.336 0.297 1.00 0.54 C ATOM 914 CD1 ILE A 60 -1.832 0.430 -1.030 1.00 0.63 C ATOM 0 H ILE A 60 1.272 2.183 -2.428 1.00 0.80 H new ATOM 0 HA ILE A 60 -0.719 4.269 -2.226 1.00 0.71 H new ATOM 0 HB ILE A 60 0.147 2.049 -0.346 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -2.452 2.285 -1.875 1.00 0.67 H new ATOM 0 HG13 ILE A 60 -1.032 1.589 -2.629 1.00 0.67 H new ATOM 0 HG21 ILE A 60 -1.900 2.573 0.912 1.00 0.54 H new ATOM 0 HG22 ILE A 60 -0.757 3.937 0.916 1.00 0.54 H new ATOM 0 HG23 ILE A 60 -2.187 3.977 -0.143 1.00 0.54 H new ATOM 0 HD11 ILE A 60 -2.470 -0.151 -1.696 1.00 0.63 H new ATOM 0 HD12 ILE A 60 -0.905 -0.114 -0.849 1.00 0.63 H new ATOM 0 HD13 ILE A 60 -2.348 0.593 -0.084 1.00 0.63 H new ATOM 926 N THR A 61 0.561 5.978 -0.954 1.00 0.70 N ATOM 927 CA THR A 61 1.281 6.998 -0.212 1.00 0.70 C ATOM 928 C THR A 61 0.553 7.395 1.074 1.00 0.61 C ATOM 929 O THR A 61 1.191 7.748 2.071 1.00 0.58 O ATOM 930 CB THR A 61 1.549 8.241 -1.096 1.00 0.80 C ATOM 931 OG1 THR A 61 2.061 9.322 -0.307 1.00 0.79 O ATOM 932 CG2 THR A 61 0.286 8.686 -1.820 1.00 0.86 C ATOM 0 H THR A 61 -0.183 6.335 -1.553 1.00 0.70 H new ATOM 0 HA THR A 61 2.239 6.566 0.078 1.00 0.70 H new ATOM 0 HB THR A 61 2.293 7.959 -1.841 1.00 0.80 H new ATOM 0 HG1 THR A 61 2.225 10.098 -0.883 1.00 0.79 H new ATOM 0 HG21 THR A 61 0.507 9.560 -2.432 1.00 0.86 H new ATOM 0 HG22 THR A 61 -0.072 7.878 -2.458 1.00 0.86 H new ATOM 0 HG23 THR A 61 -0.482 8.939 -1.089 1.00 0.86 H new ATOM 940 N HIS A 62 -0.775 7.338 1.066 1.00 0.60 N ATOM 941 CA HIS A 62 -1.544 7.693 2.256 1.00 0.57 C ATOM 942 C HIS A 62 -2.755 6.794 2.402 1.00 0.55 C ATOM 943 O HIS A 62 -3.329 6.336 1.414 1.00 0.59 O ATOM 944 CB HIS A 62 -2.037 9.149 2.235 1.00 0.66 C ATOM 945 CG HIS A 62 -0.967 10.186 2.068 1.00 0.75 C ATOM 946 ND1 HIS A 62 -0.613 10.664 0.830 1.00 0.81 N ATOM 947 CD2 HIS A 62 -0.228 10.816 3.012 1.00 0.86 C ATOM 948 CE1 HIS A 62 0.325 11.569 1.047 1.00 0.91 C ATOM 949 NE2 HIS A 62 0.591 11.692 2.353 1.00 0.95 N ATOM 0 H HIS A 62 -1.335 7.054 0.262 1.00 0.60 H new ATOM 0 HA HIS A 62 -0.862 7.566 3.097 1.00 0.57 H new ATOM 0 HB2 HIS A 62 -2.757 9.260 1.424 1.00 0.66 H new ATOM 0 HB3 HIS A 62 -2.571 9.348 3.164 1.00 0.66 H new ATOM 0 HD2 HIS A 62 -0.276 10.658 4.079 1.00 0.86 H new ATOM 0 HE1 HIS A 62 0.815 12.137 0.270 1.00 0.91 H new ATOM 0 HE2 HIS A 62 1.274 12.320 2.777 1.00 0.95 H new ATOM 957 N VAL A 63 -3.136 6.552 3.641 1.00 0.51 N ATOM 958 CA VAL A 63 -4.298 5.740 3.948 1.00 0.50 C ATOM 959 C VAL A 63 -5.241 6.549 4.822 1.00 0.58 C ATOM 960 O VAL A 63 -4.908 6.862 5.959 1.00 0.59 O ATOM 961 CB VAL A 63 -3.912 4.435 4.673 1.00 0.42 C ATOM 962 CG1 VAL A 63 -5.154 3.726 5.188 1.00 0.44 C ATOM 963 CG2 VAL A 63 -3.122 3.524 3.745 1.00 0.38 C ATOM 0 H VAL A 63 -2.650 6.912 4.462 1.00 0.51 H new ATOM 0 HA VAL A 63 -4.782 5.464 3.011 1.00 0.50 H new ATOM 0 HB VAL A 63 -3.281 4.687 5.526 1.00 0.42 H new ATOM 0 HG11 VAL A 63 -4.864 2.807 5.697 1.00 0.44 H new ATOM 0 HG12 VAL A 63 -5.681 4.376 5.886 1.00 0.44 H new ATOM 0 HG13 VAL A 63 -5.809 3.486 4.351 1.00 0.44 H new ATOM 0 HG21 VAL A 63 -2.858 2.608 4.273 1.00 0.38 H new ATOM 0 HG22 VAL A 63 -3.728 3.279 2.873 1.00 0.38 H new ATOM 0 HG23 VAL A 63 -2.213 4.032 3.423 1.00 0.38 H new ATOM 973 N ASN A 64 -6.394 6.918 4.270 1.00 0.67 N ATOM 974 CA ASN A 64 -7.392 7.714 4.992 1.00 0.76 C ATOM 975 C ASN A 64 -6.847 9.110 5.280 1.00 0.81 C ATOM 976 O ASN A 64 -7.353 9.825 6.149 1.00 0.90 O ATOM 977 CB ASN A 64 -7.815 7.024 6.300 1.00 0.77 C ATOM 978 CG ASN A 64 -8.555 5.728 6.063 1.00 0.75 C ATOM 979 OD1 ASN A 64 -9.357 5.618 5.135 1.00 0.80 O ATOM 980 ND2 ASN A 64 -8.287 4.738 6.900 1.00 0.70 N ATOM 0 H ASN A 64 -6.665 6.677 3.317 1.00 0.67 H new ATOM 0 HA ASN A 64 -8.275 7.803 4.359 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -6.930 6.827 6.905 1.00 0.77 H new ATOM 0 HB3 ASN A 64 -8.449 7.700 6.874 1.00 0.77 H new ATOM 0 HD21 ASN A 64 -8.753 3.837 6.790 1.00 0.70 H new ATOM 0 HD22 ASN A 64 -7.615 4.876 7.655 1.00 0.70 H new ATOM 987 N GLY A 65 -5.819 9.499 4.530 1.00 0.78 N ATOM 988 CA GLY A 65 -5.210 10.802 4.711 1.00 0.83 C ATOM 989 C GLY A 65 -4.063 10.765 5.700 1.00 0.81 C ATOM 990 O GLY A 65 -3.579 11.809 6.141 1.00 0.90 O ATOM 0 H GLY A 65 -5.396 8.930 3.797 1.00 0.78 H new ATOM 0 HA2 GLY A 65 -4.848 11.168 3.751 1.00 0.83 H new ATOM 0 HA3 GLY A 65 -5.964 11.509 5.058 1.00 0.83 H new ATOM 994 N GLU A 66 -3.614 9.565 6.038 1.00 0.71 N ATOM 995 CA GLU A 66 -2.527 9.402 6.990 1.00 0.71 C ATOM 996 C GLU A 66 -1.228 9.086 6.263 1.00 0.66 C ATOM 997 O GLU A 66 -1.197 8.194 5.413 1.00 0.58 O ATOM 998 CB GLU A 66 -2.836 8.261 7.961 1.00 0.70 C ATOM 999 CG GLU A 66 -4.244 8.280 8.535 1.00 0.77 C ATOM 1000 CD GLU A 66 -4.402 9.240 9.694 1.00 0.95 C ATOM 1001 OE1 GLU A 66 -3.916 8.933 10.800 1.00 1.30 O ATOM 1002 OE2 GLU A 66 -5.009 10.317 9.499 1.00 1.36 O ATOM 0 H GLU A 66 -3.986 8.691 5.667 1.00 0.71 H new ATOM 0 HA GLU A 66 -2.421 10.336 7.542 1.00 0.71 H new ATOM 0 HB2 GLU A 66 -2.680 7.312 7.447 1.00 0.70 H new ATOM 0 HB3 GLU A 66 -2.122 8.299 8.784 1.00 0.70 H new ATOM 0 HG2 GLU A 66 -4.947 8.552 7.748 1.00 0.77 H new ATOM 0 HG3 GLU A 66 -4.509 7.275 8.865 1.00 0.77 H new ATOM 1009 N PRO A 67 -0.142 9.816 6.567 1.00 0.73 N ATOM 1010 CA PRO A 67 1.160 9.569 5.953 1.00 0.72 C ATOM 1011 C PRO A 67 1.725 8.236 6.424 1.00 0.64 C ATOM 1012 O PRO A 67 2.160 8.100 7.571 1.00 0.72 O ATOM 1013 CB PRO A 67 2.040 10.727 6.436 1.00 0.84 C ATOM 1014 CG PRO A 67 1.110 11.712 7.067 1.00 0.90 C ATOM 1015 CD PRO A 67 -0.095 10.939 7.515 1.00 0.84 C ATOM 0 HA PRO A 67 1.104 9.518 4.866 1.00 0.72 H new ATOM 0 HB2 PRO A 67 2.785 10.379 7.152 1.00 0.84 H new ATOM 0 HB3 PRO A 67 2.582 11.178 5.605 1.00 0.84 H new ATOM 0 HG2 PRO A 67 1.587 12.209 7.912 1.00 0.90 H new ATOM 0 HG3 PRO A 67 0.829 12.490 6.357 1.00 0.90 H new ATOM 0 HD2 PRO A 67 0.007 10.594 8.544 1.00 0.84 H new ATOM 0 HD3 PRO A 67 -1.001 11.543 7.470 1.00 0.84 H new ATOM 1023 N VAL A 68 1.709 7.252 5.543 1.00 0.53 N ATOM 1024 CA VAL A 68 2.185 5.921 5.886 1.00 0.48 C ATOM 1025 C VAL A 68 3.632 5.711 5.467 1.00 0.56 C ATOM 1026 O VAL A 68 4.195 4.636 5.671 1.00 0.60 O ATOM 1027 CB VAL A 68 1.310 4.825 5.251 1.00 0.42 C ATOM 1028 CG1 VAL A 68 -0.139 4.972 5.695 1.00 0.40 C ATOM 1029 CG2 VAL A 68 1.413 4.850 3.731 1.00 0.52 C ATOM 0 H VAL A 68 1.372 7.348 4.585 1.00 0.53 H new ATOM 0 HA VAL A 68 2.120 5.845 6.971 1.00 0.48 H new ATOM 0 HB VAL A 68 1.680 3.859 5.595 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -0.742 4.188 5.236 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -0.198 4.886 6.780 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -0.517 5.947 5.388 1.00 0.40 H new ATOM 0 HG21 VAL A 68 0.784 4.065 3.311 1.00 0.52 H new ATOM 0 HG22 VAL A 68 1.080 5.819 3.360 1.00 0.52 H new ATOM 0 HG23 VAL A 68 2.448 4.684 3.434 1.00 0.52 H new ATOM 1039 N HIS A 69 4.228 6.746 4.892 1.00 0.62 N ATOM 1040 CA HIS A 69 5.610 6.681 4.443 1.00 0.73 C ATOM 1041 C HIS A 69 6.541 6.546 5.643 1.00 0.77 C ATOM 1042 O HIS A 69 6.936 7.542 6.252 1.00 0.84 O ATOM 1043 CB HIS A 69 5.956 7.931 3.630 1.00 0.82 C ATOM 1044 CG HIS A 69 7.253 7.839 2.880 1.00 0.94 C ATOM 1045 ND1 HIS A 69 7.281 7.577 1.531 1.00 1.39 N ATOM 1046 CD2 HIS A 69 8.525 7.989 3.326 1.00 1.09 C ATOM 1047 CE1 HIS A 69 8.558 7.574 1.188 1.00 1.37 C ATOM 1048 NE2 HIS A 69 9.350 7.821 2.242 1.00 1.17 N ATOM 0 H HIS A 69 3.773 7.644 4.725 1.00 0.62 H new ATOM 0 HA HIS A 69 5.738 5.807 3.804 1.00 0.73 H new ATOM 0 HB2 HIS A 69 5.152 8.123 2.920 1.00 0.82 H new ATOM 0 HB3 HIS A 69 5.998 8.788 4.303 1.00 0.82 H new ATOM 0 HD2 HIS A 69 8.830 8.200 4.340 1.00 1.09 H new ATOM 0 HE1 HIS A 69 8.918 7.395 0.186 1.00 1.37 H new ATOM 0 HE2 HIS A 69 10.369 7.874 2.239 1.00 1.17 H new ATOM 1056 N GLY A 70 6.851 5.307 5.997 1.00 0.80 N ATOM 1057 CA GLY A 70 7.723 5.048 7.120 1.00 0.89 C ATOM 1058 C GLY A 70 7.233 3.897 7.975 1.00 0.86 C ATOM 1059 O GLY A 70 8.031 3.227 8.636 1.00 0.98 O ATOM 0 H GLY A 70 6.510 4.472 5.521 1.00 0.80 H new ATOM 0 HA2 GLY A 70 8.726 4.825 6.755 1.00 0.89 H new ATOM 0 HA3 GLY A 70 7.799 5.946 7.733 1.00 0.89 H new ATOM 1063 N LEU A 71 5.922 3.653 7.956 1.00 0.74 N ATOM 1064 CA LEU A 71 5.337 2.579 8.741 1.00 0.72 C ATOM 1065 C LEU A 71 5.724 1.206 8.239 1.00 0.73 C ATOM 1066 O LEU A 71 6.321 1.046 7.171 1.00 0.82 O ATOM 1067 CB LEU A 71 3.825 2.642 8.681 1.00 0.67 C ATOM 1068 CG LEU A 71 3.169 3.754 9.466 1.00 0.57 C ATOM 1069 CD1 LEU A 71 1.682 3.709 9.232 1.00 0.47 C ATOM 1070 CD2 LEU A 71 3.496 3.657 10.947 1.00 0.83 C ATOM 0 H LEU A 71 5.250 4.187 7.404 1.00 0.74 H new ATOM 0 HA LEU A 71 5.715 2.720 9.754 1.00 0.72 H new ATOM 0 HB2 LEU A 71 3.528 2.739 7.637 1.00 0.67 H new ATOM 0 HB3 LEU A 71 3.429 1.691 9.038 1.00 0.67 H new ATOM 0 HG LEU A 71 3.559 4.711 9.120 1.00 0.57 H new ATOM 0 HD11 LEU A 71 1.201 4.509 9.795 1.00 0.47 H new ATOM 0 HD12 LEU A 71 1.477 3.839 8.169 1.00 0.47 H new ATOM 0 HD13 LEU A 71 1.291 2.747 9.562 1.00 0.47 H new ATOM 0 HD21 LEU A 71 3.008 4.472 11.481 1.00 0.83 H new ATOM 0 HD22 LEU A 71 3.140 2.703 11.336 1.00 0.83 H new ATOM 0 HD23 LEU A 71 4.575 3.726 11.087 1.00 0.83 H new ATOM 1082 N VAL A 72 5.350 0.217 9.029 1.00 0.68 N ATOM 1083 CA VAL A 72 5.571 -1.166 8.690 1.00 0.68 C ATOM 1084 C VAL A 72 4.383 -1.659 7.881 1.00 0.59 C ATOM 1085 O VAL A 72 3.382 -0.947 7.748 1.00 0.52 O ATOM 1086 CB VAL A 72 5.728 -2.045 9.947 1.00 0.72 C ATOM 1087 CG1 VAL A 72 6.945 -1.624 10.753 1.00 0.82 C ATOM 1088 CG2 VAL A 72 4.467 -1.988 10.799 1.00 0.69 C ATOM 0 H VAL A 72 4.883 0.356 9.925 1.00 0.68 H new ATOM 0 HA VAL A 72 6.495 -1.238 8.116 1.00 0.68 H new ATOM 0 HB VAL A 72 5.878 -3.076 9.627 1.00 0.72 H new ATOM 0 HG11 VAL A 72 7.035 -2.259 11.635 1.00 0.82 H new ATOM 0 HG12 VAL A 72 7.840 -1.726 10.140 1.00 0.82 H new ATOM 0 HG13 VAL A 72 6.834 -0.585 11.063 1.00 0.82 H new ATOM 0 HG21 VAL A 72 4.596 -2.614 11.682 1.00 0.69 H new ATOM 0 HG22 VAL A 72 4.283 -0.959 11.108 1.00 0.69 H new ATOM 0 HG23 VAL A 72 3.619 -2.350 10.218 1.00 0.69 H new ATOM 1098 N HIS A 73 4.480 -2.867 7.368 1.00 0.60 N ATOM 1099 CA HIS A 73 3.416 -3.449 6.567 1.00 0.53 C ATOM 1100 C HIS A 73 2.099 -3.519 7.343 1.00 0.44 C ATOM 1101 O HIS A 73 1.051 -3.140 6.835 1.00 0.36 O ATOM 1102 CB HIS A 73 3.833 -4.844 6.101 1.00 0.60 C ATOM 1103 CG HIS A 73 2.834 -5.510 5.203 1.00 0.58 C ATOM 1104 ND1 HIS A 73 2.414 -4.990 3.998 1.00 0.58 N ATOM 1105 CD2 HIS A 73 2.169 -6.681 5.359 1.00 0.58 C ATOM 1106 CE1 HIS A 73 1.528 -5.843 3.474 1.00 0.58 C ATOM 1107 NE2 HIS A 73 1.344 -6.885 4.259 1.00 0.58 N ATOM 0 H HIS A 73 5.292 -3.473 7.491 1.00 0.60 H new ATOM 0 HA HIS A 73 3.250 -2.808 5.701 1.00 0.53 H new ATOM 0 HB2 HIS A 73 4.786 -4.771 5.577 1.00 0.60 H new ATOM 0 HB3 HIS A 73 3.997 -5.474 6.975 1.00 0.60 H new ATOM 0 HD1 HIS A 73 2.723 -4.112 3.581 1.00 0.58 H new ATOM 0 HD2 HIS A 73 2.265 -7.348 6.203 1.00 0.58 H new ATOM 0 HE1 HIS A 73 1.027 -5.697 2.528 1.00 0.58 H new ATOM 1115 N THR A 74 2.166 -3.968 8.581 1.00 0.48 N ATOM 1116 CA THR A 74 0.973 -4.114 9.401 1.00 0.44 C ATOM 1117 C THR A 74 0.389 -2.781 9.874 1.00 0.41 C ATOM 1118 O THR A 74 -0.829 -2.671 10.010 1.00 0.39 O ATOM 1119 CB THR A 74 1.266 -5.001 10.612 1.00 0.52 C ATOM 1120 OG1 THR A 74 2.517 -4.620 11.205 1.00 0.57 O ATOM 1121 CG2 THR A 74 1.318 -6.462 10.202 1.00 0.57 C ATOM 0 H THR A 74 3.033 -4.239 9.044 1.00 0.48 H new ATOM 0 HA THR A 74 0.223 -4.580 8.761 1.00 0.44 H new ATOM 0 HB THR A 74 0.465 -4.870 11.340 1.00 0.52 H new ATOM 0 HG1 THR A 74 2.698 -5.190 11.981 1.00 0.57 H new ATOM 0 HG21 THR A 74 1.528 -7.078 11.076 1.00 0.57 H new ATOM 0 HG22 THR A 74 0.359 -6.754 9.774 1.00 0.57 H new ATOM 0 HG23 THR A 74 2.105 -6.604 9.461 1.00 0.57 H new ATOM 1129 N GLU A 75 1.229 -1.768 10.115 1.00 0.45 N ATOM 1130 CA GLU A 75 0.728 -0.481 10.575 1.00 0.46 C ATOM 1131 C GLU A 75 -0.237 0.099 9.565 1.00 0.37 C ATOM 1132 O GLU A 75 -1.306 0.592 9.920 1.00 0.38 O ATOM 1133 CB GLU A 75 1.858 0.510 10.837 1.00 0.53 C ATOM 1134 CG GLU A 75 2.599 0.245 12.135 1.00 0.66 C ATOM 1135 CD GLU A 75 1.932 0.898 13.330 1.00 0.74 C ATOM 1136 OE1 GLU A 75 0.915 0.364 13.816 1.00 0.88 O ATOM 1137 OE2 GLU A 75 2.433 1.942 13.799 1.00 0.80 O ATOM 0 H GLU A 75 2.241 -1.818 10.000 1.00 0.45 H new ATOM 0 HA GLU A 75 0.209 -0.654 11.518 1.00 0.46 H new ATOM 0 HB2 GLU A 75 2.565 0.472 10.008 1.00 0.53 H new ATOM 0 HB3 GLU A 75 1.448 1.520 10.860 1.00 0.53 H new ATOM 0 HG2 GLU A 75 2.661 -0.831 12.301 1.00 0.66 H new ATOM 0 HG3 GLU A 75 3.621 0.613 12.048 1.00 0.66 H new ATOM 1144 N VAL A 76 0.140 0.019 8.303 1.00 0.32 N ATOM 1145 CA VAL A 76 -0.699 0.531 7.237 1.00 0.25 C ATOM 1146 C VAL A 76 -1.895 -0.394 7.016 1.00 0.20 C ATOM 1147 O VAL A 76 -3.001 0.076 6.772 1.00 0.21 O ATOM 1148 CB VAL A 76 0.097 0.742 5.930 1.00 0.26 C ATOM 1149 CG1 VAL A 76 1.364 1.522 6.228 1.00 0.37 C ATOM 1150 CG2 VAL A 76 0.433 -0.573 5.248 1.00 0.28 C ATOM 0 H VAL A 76 1.019 -0.394 7.992 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.070 1.510 7.541 1.00 0.25 H new ATOM 0 HB VAL A 76 -0.530 1.308 5.242 1.00 0.26 H new ATOM 0 HG11 VAL A 76 1.925 1.671 5.305 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.103 2.491 6.654 1.00 0.37 H new ATOM 0 HG13 VAL A 76 1.975 0.966 6.939 1.00 0.37 H new ATOM 0 HG21 VAL A 76 0.993 -0.376 4.334 1.00 0.28 H new ATOM 0 HG22 VAL A 76 1.036 -1.186 5.917 1.00 0.28 H new ATOM 0 HG23 VAL A 76 -0.488 -1.102 5.003 1.00 0.28 H new ATOM 1160 N VAL A 77 -1.670 -1.707 7.143 1.00 0.21 N ATOM 1161 CA VAL A 77 -2.734 -2.699 6.989 1.00 0.20 C ATOM 1162 C VAL A 77 -3.861 -2.401 7.964 1.00 0.26 C ATOM 1163 O VAL A 77 -5.027 -2.307 7.577 1.00 0.29 O ATOM 1164 CB VAL A 77 -2.193 -4.133 7.219 1.00 0.25 C ATOM 1165 CG1 VAL A 77 -3.300 -5.100 7.607 1.00 0.28 C ATOM 1166 CG2 VAL A 77 -1.478 -4.636 5.978 1.00 0.28 C ATOM 0 H VAL A 77 -0.755 -2.106 7.353 1.00 0.21 H new ATOM 0 HA VAL A 77 -3.115 -2.641 5.970 1.00 0.20 H new ATOM 0 HB VAL A 77 -1.486 -4.084 8.047 1.00 0.25 H new ATOM 0 HG11 VAL A 77 -2.878 -6.094 7.759 1.00 0.28 H new ATOM 0 HG12 VAL A 77 -3.772 -4.761 8.529 1.00 0.28 H new ATOM 0 HG13 VAL A 77 -4.044 -5.139 6.811 1.00 0.28 H new ATOM 0 HG21 VAL A 77 -1.104 -5.644 6.157 1.00 0.28 H new ATOM 0 HG22 VAL A 77 -2.173 -4.650 5.138 1.00 0.28 H new ATOM 0 HG23 VAL A 77 -0.643 -3.975 5.746 1.00 0.28 H new ATOM 1176 N GLU A 78 -3.499 -2.237 9.225 1.00 0.33 N ATOM 1177 CA GLU A 78 -4.468 -1.923 10.254 1.00 0.43 C ATOM 1178 C GLU A 78 -5.108 -0.593 9.978 1.00 0.45 C ATOM 1179 O GLU A 78 -6.320 -0.445 10.066 1.00 0.51 O ATOM 1180 CB GLU A 78 -3.807 -1.919 11.599 1.00 0.52 C ATOM 1181 CG GLU A 78 -3.312 -3.282 11.954 1.00 0.58 C ATOM 1182 CD GLU A 78 -3.169 -3.512 13.441 1.00 0.79 C ATOM 1183 OE1 GLU A 78 -3.896 -2.866 14.224 1.00 1.32 O ATOM 1184 OE2 GLU A 78 -2.332 -4.349 13.833 1.00 1.12 O ATOM 0 H GLU A 78 -2.538 -2.317 9.559 1.00 0.33 H new ATOM 0 HA GLU A 78 -5.246 -2.687 10.251 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -2.975 -1.215 11.598 1.00 0.52 H new ATOM 0 HB3 GLU A 78 -4.514 -1.576 12.355 1.00 0.52 H new ATOM 0 HG2 GLU A 78 -3.997 -4.025 11.545 1.00 0.58 H new ATOM 0 HG3 GLU A 78 -2.345 -3.443 11.476 1.00 0.58 H new ATOM 1191 N LEU A 79 -4.263 0.367 9.666 1.00 0.42 N ATOM 1192 CA LEU A 79 -4.703 1.719 9.317 1.00 0.47 C ATOM 1193 C LEU A 79 -5.863 1.652 8.325 1.00 0.48 C ATOM 1194 O LEU A 79 -6.921 2.242 8.556 1.00 0.58 O ATOM 1195 CB LEU A 79 -3.551 2.514 8.712 1.00 0.42 C ATOM 1196 CG LEU A 79 -3.320 3.891 9.322 1.00 0.50 C ATOM 1197 CD1 LEU A 79 -2.547 3.773 10.626 1.00 0.57 C ATOM 1198 CD2 LEU A 79 -2.589 4.777 8.333 1.00 0.46 C ATOM 0 H LEU A 79 -3.251 0.241 9.645 1.00 0.42 H new ATOM 0 HA LEU A 79 -5.037 2.221 10.225 1.00 0.47 H new ATOM 0 HB2 LEU A 79 -2.636 1.931 8.814 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -3.735 2.634 7.644 1.00 0.42 H new ATOM 0 HG LEU A 79 -4.284 4.347 9.546 1.00 0.50 H new ATOM 0 HD11 LEU A 79 -2.391 4.766 11.048 1.00 0.57 H new ATOM 0 HD12 LEU A 79 -3.113 3.164 11.331 1.00 0.57 H new ATOM 0 HD13 LEU A 79 -1.582 3.304 10.436 1.00 0.57 H new ATOM 0 HD21 LEU A 79 -2.427 5.760 8.776 1.00 0.46 H new ATOM 0 HD22 LEU A 79 -1.627 4.328 8.084 1.00 0.46 H new ATOM 0 HD23 LEU A 79 -3.186 4.881 7.427 1.00 0.46 H new ATOM 1210 N ILE A 80 -5.643 0.950 7.212 1.00 0.40 N ATOM 1211 CA ILE A 80 -6.669 0.747 6.212 1.00 0.45 C ATOM 1212 C ILE A 80 -7.922 0.159 6.845 1.00 0.52 C ATOM 1213 O ILE A 80 -9.014 0.699 6.708 1.00 0.63 O ATOM 1214 CB ILE A 80 -6.150 -0.213 5.140 1.00 0.37 C ATOM 1215 CG1 ILE A 80 -4.924 0.388 4.472 1.00 0.33 C ATOM 1216 CG2 ILE A 80 -7.231 -0.528 4.131 1.00 0.46 C ATOM 1217 CD1 ILE A 80 -3.962 -0.643 3.953 1.00 0.27 C ATOM 0 H ILE A 80 -4.750 0.512 6.988 1.00 0.40 H new ATOM 0 HA ILE A 80 -6.917 1.709 5.764 1.00 0.45 H new ATOM 0 HB ILE A 80 -5.864 -1.154 5.609 1.00 0.37 H new ATOM 0 HG12 ILE A 80 -5.244 1.024 3.646 1.00 0.33 H new ATOM 0 HG13 ILE A 80 -4.408 1.029 5.186 1.00 0.33 H new ATOM 0 HG21 ILE A 80 -6.838 -1.212 3.379 1.00 0.46 H new ATOM 0 HG22 ILE A 80 -8.077 -0.992 4.637 1.00 0.46 H new ATOM 0 HG23 ILE A 80 -7.558 0.393 3.648 1.00 0.46 H new ATOM 0 HD11 ILE A 80 -3.111 -0.145 3.489 1.00 0.27 H new ATOM 0 HD12 ILE A 80 -3.614 -1.264 4.778 1.00 0.27 H new ATOM 0 HD13 ILE A 80 -4.463 -1.269 3.215 1.00 0.27 H new ATOM 1229 N LEU A 81 -7.739 -0.959 7.530 1.00 0.48 N ATOM 1230 CA LEU A 81 -8.830 -1.649 8.221 1.00 0.56 C ATOM 1231 C LEU A 81 -9.629 -0.712 9.143 1.00 0.68 C ATOM 1232 O LEU A 81 -10.855 -0.794 9.205 1.00 0.78 O ATOM 1233 CB LEU A 81 -8.268 -2.817 9.039 1.00 0.52 C ATOM 1234 CG LEU A 81 -7.747 -3.997 8.217 1.00 0.51 C ATOM 1235 CD1 LEU A 81 -6.988 -4.971 9.103 1.00 0.48 C ATOM 1236 CD2 LEU A 81 -8.892 -4.706 7.512 1.00 0.68 C ATOM 0 H LEU A 81 -6.833 -1.418 7.626 1.00 0.48 H new ATOM 0 HA LEU A 81 -9.515 -2.017 7.457 1.00 0.56 H new ATOM 0 HB2 LEU A 81 -7.457 -2.444 9.665 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -9.048 -3.178 9.710 1.00 0.52 H new ATOM 0 HG LEU A 81 -7.063 -3.611 7.461 1.00 0.51 H new ATOM 0 HD11 LEU A 81 -6.625 -5.804 8.501 1.00 0.48 H new ATOM 0 HD12 LEU A 81 -6.142 -4.461 9.564 1.00 0.48 H new ATOM 0 HD13 LEU A 81 -7.652 -5.348 9.881 1.00 0.48 H new ATOM 0 HD21 LEU A 81 -8.501 -5.542 6.933 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -9.601 -5.078 8.252 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -9.397 -4.007 6.845 1.00 0.68 H new ATOM 1248 N LYS A 82 -8.929 0.175 9.853 1.00 0.68 N ATOM 1249 CA LYS A 82 -9.558 1.113 10.786 1.00 0.80 C ATOM 1250 C LYS A 82 -10.472 2.148 10.128 1.00 0.87 C ATOM 1251 O LYS A 82 -11.200 2.851 10.830 1.00 1.00 O ATOM 1252 CB LYS A 82 -8.487 1.836 11.583 1.00 0.77 C ATOM 1253 CG LYS A 82 -7.665 0.880 12.401 1.00 0.75 C ATOM 1254 CD LYS A 82 -6.798 1.594 13.427 1.00 0.77 C ATOM 1255 CE LYS A 82 -5.395 1.854 12.902 1.00 0.78 C ATOM 1256 NZ LYS A 82 -4.439 2.154 14.001 1.00 0.88 N ATOM 0 H LYS A 82 -7.914 0.264 9.798 1.00 0.68 H new ATOM 0 HA LYS A 82 -10.195 0.505 11.429 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -7.836 2.386 10.903 1.00 0.77 H new ATOM 0 HB3 LYS A 82 -8.955 2.569 12.240 1.00 0.77 H new ATOM 0 HG2 LYS A 82 -8.327 0.181 12.912 1.00 0.75 H new ATOM 0 HG3 LYS A 82 -7.030 0.292 11.739 1.00 0.75 H new ATOM 0 HD2 LYS A 82 -7.264 2.540 13.700 1.00 0.77 H new ATOM 0 HD3 LYS A 82 -6.740 0.993 14.335 1.00 0.77 H new ATOM 0 HE2 LYS A 82 -5.048 0.983 12.346 1.00 0.78 H new ATOM 0 HE3 LYS A 82 -5.418 2.690 12.203 1.00 0.78 H new ATOM 0 HZ1 LYS A 82 -3.494 2.325 13.602 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -4.756 3.000 14.516 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -4.397 1.346 14.655 1.00 0.88 H new ATOM 1270 N SER A 83 -10.421 2.265 8.805 1.00 0.82 N ATOM 1271 CA SER A 83 -11.248 3.229 8.081 1.00 0.90 C ATOM 1272 C SER A 83 -12.722 3.163 8.502 1.00 1.02 C ATOM 1273 O SER A 83 -13.270 4.134 9.032 1.00 1.08 O ATOM 1274 CB SER A 83 -11.125 2.991 6.579 1.00 0.85 C ATOM 1275 OG SER A 83 -11.557 1.687 6.221 1.00 0.78 O ATOM 0 H SER A 83 -9.814 1.703 8.209 1.00 0.82 H new ATOM 0 HA SER A 83 -10.883 4.225 8.330 1.00 0.90 H new ATOM 0 HB2 SER A 83 -11.718 3.732 6.043 1.00 0.85 H new ATOM 0 HB3 SER A 83 -10.088 3.129 6.272 1.00 0.85 H new ATOM 0 HG SER A 83 -12.407 1.745 5.737 1.00 0.78 H new ATOM 1281 N GLY A 84 -13.353 2.018 8.277 1.00 1.06 N ATOM 1282 CA GLY A 84 -14.748 1.854 8.628 1.00 1.18 C ATOM 1283 C GLY A 84 -15.664 2.068 7.442 1.00 1.22 C ATOM 1284 O GLY A 84 -15.857 3.204 6.998 1.00 1.29 O ATOM 0 H GLY A 84 -12.920 1.196 7.855 1.00 1.06 H new ATOM 0 HA2 GLY A 84 -14.905 0.853 9.030 1.00 1.18 H new ATOM 0 HA3 GLY A 84 -15.008 2.559 9.418 1.00 1.18 H new ATOM 1288 N ASN A 85 -16.197 0.966 6.914 1.00 1.19 N ATOM 1289 CA ASN A 85 -17.115 0.978 5.766 1.00 1.25 C ATOM 1290 C ASN A 85 -16.375 1.233 4.452 1.00 1.19 C ATOM 1291 O ASN A 85 -16.617 0.549 3.461 1.00 1.19 O ATOM 1292 CB ASN A 85 -18.254 1.991 5.970 1.00 1.40 C ATOM 1293 CG ASN A 85 -18.907 2.424 4.668 1.00 1.45 C ATOM 1294 OD1 ASN A 85 -18.741 3.559 4.226 1.00 1.48 O ATOM 1295 ND2 ASN A 85 -19.651 1.528 4.042 1.00 1.50 N ATOM 0 H ASN A 85 -16.005 0.030 7.271 1.00 1.19 H new ATOM 0 HA ASN A 85 -17.561 -0.014 5.700 1.00 1.25 H new ATOM 0 HB2 ASN A 85 -19.010 1.552 6.620 1.00 1.40 H new ATOM 0 HB3 ASN A 85 -17.863 2.870 6.483 1.00 1.40 H new ATOM 0 HD21 ASN A 85 -20.109 1.770 3.163 1.00 1.50 H new ATOM 0 HD22 ASN A 85 -19.767 0.595 4.438 1.00 1.50 H new ATOM 1302 N LYS A 86 -15.492 2.214 4.441 1.00 1.14 N ATOM 1303 CA LYS A 86 -14.713 2.525 3.272 1.00 1.10 C ATOM 1304 C LYS A 86 -13.412 3.147 3.681 1.00 1.02 C ATOM 1305 O LYS A 86 -13.290 3.701 4.772 1.00 1.04 O ATOM 1306 CB LYS A 86 -15.442 3.465 2.344 1.00 1.19 C ATOM 1307 CG LYS A 86 -15.874 4.737 3.018 1.00 1.28 C ATOM 1308 CD LYS A 86 -17.030 5.375 2.287 1.00 1.38 C ATOM 1309 CE LYS A 86 -17.254 6.810 2.724 1.00 1.44 C ATOM 1310 NZ LYS A 86 -18.341 7.455 1.945 1.00 1.58 N ATOM 0 H LYS A 86 -15.300 2.813 5.244 1.00 1.14 H new ATOM 0 HA LYS A 86 -14.535 1.592 2.738 1.00 1.10 H new ATOM 0 HB2 LYS A 86 -14.796 3.708 1.501 1.00 1.19 H new ATOM 0 HB3 LYS A 86 -16.318 2.959 1.938 1.00 1.19 H new ATOM 0 HG2 LYS A 86 -16.163 4.526 4.048 1.00 1.28 H new ATOM 0 HG3 LYS A 86 -15.036 5.433 3.058 1.00 1.28 H new ATOM 0 HD2 LYS A 86 -16.840 5.348 1.214 1.00 1.38 H new ATOM 0 HD3 LYS A 86 -17.936 4.796 2.465 1.00 1.38 H new ATOM 0 HE2 LYS A 86 -17.503 6.833 3.785 1.00 1.44 H new ATOM 0 HE3 LYS A 86 -16.331 7.377 2.600 1.00 1.44 H new ATOM 0 HZ1 LYS A 86 -18.467 8.435 2.270 1.00 1.58 H new ATOM 0 HZ2 LYS A 86 -18.092 7.455 0.935 1.00 1.58 H new ATOM 0 HZ3 LYS A 86 -19.227 6.928 2.083 1.00 1.58 H new ATOM 1324 N VAL A 87 -12.461 3.067 2.796 1.00 0.95 N ATOM 1325 CA VAL A 87 -11.142 3.600 3.056 1.00 0.87 C ATOM 1326 C VAL A 87 -10.609 4.371 1.859 1.00 0.88 C ATOM 1327 O VAL A 87 -10.691 3.910 0.723 1.00 0.91 O ATOM 1328 CB VAL A 87 -10.177 2.459 3.433 1.00 0.76 C ATOM 1329 CG1 VAL A 87 -10.203 1.365 2.379 1.00 0.75 C ATOM 1330 CG2 VAL A 87 -8.762 2.977 3.645 1.00 0.68 C ATOM 0 H VAL A 87 -12.570 2.635 1.878 1.00 0.95 H new ATOM 0 HA VAL A 87 -11.217 4.296 3.892 1.00 0.87 H new ATOM 0 HB VAL A 87 -10.516 2.033 4.377 1.00 0.76 H new ATOM 0 HG11 VAL A 87 -9.515 0.569 2.664 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.212 0.961 2.299 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -9.900 1.779 1.417 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.107 2.147 3.910 1.00 0.68 H new ATOM 0 HG22 VAL A 87 -8.404 3.444 2.727 1.00 0.68 H new ATOM 0 HG23 VAL A 87 -8.760 3.712 4.450 1.00 0.68 H new ATOM 1340 N ALA A 88 -10.088 5.557 2.117 1.00 0.87 N ATOM 1341 CA ALA A 88 -9.533 6.380 1.061 1.00 0.89 C ATOM 1342 C ALA A 88 -8.048 6.121 0.944 1.00 0.80 C ATOM 1343 O ALA A 88 -7.252 6.574 1.765 1.00 0.76 O ATOM 1344 CB ALA A 88 -9.795 7.846 1.311 1.00 0.96 C ATOM 0 H ALA A 88 -10.038 5.970 3.048 1.00 0.87 H new ATOM 0 HA ALA A 88 -10.022 6.114 0.124 1.00 0.89 H new ATOM 0 HB1 ALA A 88 -9.366 8.436 0.501 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -10.870 8.021 1.357 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -9.339 8.141 2.256 1.00 0.96 H new ATOM 1350 N ILE A 89 -7.686 5.387 -0.075 1.00 0.79 N ATOM 1351 CA ILE A 89 -6.299 5.027 -0.304 1.00 0.72 C ATOM 1352 C ILE A 89 -5.679 5.901 -1.385 1.00 0.78 C ATOM 1353 O ILE A 89 -6.048 5.816 -2.553 1.00 0.86 O ATOM 1354 CB ILE A 89 -6.170 3.545 -0.704 1.00 0.70 C ATOM 1355 CG1 ILE A 89 -6.888 2.648 0.313 1.00 0.66 C ATOM 1356 CG2 ILE A 89 -4.716 3.159 -0.822 1.00 0.67 C ATOM 1357 CD1 ILE A 89 -6.319 1.248 0.432 1.00 0.60 C ATOM 0 H ILE A 89 -8.336 5.020 -0.770 1.00 0.79 H new ATOM 0 HA ILE A 89 -5.764 5.188 0.632 1.00 0.72 H new ATOM 0 HB ILE A 89 -6.644 3.405 -1.676 1.00 0.70 H new ATOM 0 HG12 ILE A 89 -6.848 3.127 1.292 1.00 0.66 H new ATOM 0 HG13 ILE A 89 -7.940 2.576 0.036 1.00 0.66 H new ATOM 0 HG21 ILE A 89 -4.640 2.109 -1.105 1.00 0.67 H new ATOM 0 HG22 ILE A 89 -4.236 3.776 -1.582 1.00 0.67 H new ATOM 0 HG23 ILE A 89 -4.220 3.313 0.136 1.00 0.67 H new ATOM 0 HD11 ILE A 89 -6.888 0.686 1.173 1.00 0.60 H new ATOM 0 HD12 ILE A 89 -6.384 0.746 -0.533 1.00 0.60 H new ATOM 0 HD13 ILE A 89 -5.276 1.304 0.742 1.00 0.60 H new ATOM 1369 N SER A 90 -4.744 6.741 -0.989 1.00 0.75 N ATOM 1370 CA SER A 90 -4.074 7.629 -1.919 1.00 0.81 C ATOM 1371 C SER A 90 -3.017 6.858 -2.706 1.00 0.82 C ATOM 1372 O SER A 90 -2.015 6.407 -2.142 1.00 0.77 O ATOM 1373 CB SER A 90 -3.441 8.791 -1.156 1.00 0.79 C ATOM 1374 OG SER A 90 -4.332 9.296 -0.172 1.00 0.82 O ATOM 0 H SER A 90 -4.429 6.828 -0.023 1.00 0.75 H new ATOM 0 HA SER A 90 -4.801 8.031 -2.624 1.00 0.81 H new ATOM 0 HB2 SER A 90 -2.518 8.459 -0.681 1.00 0.79 H new ATOM 0 HB3 SER A 90 -3.173 9.586 -1.852 1.00 0.79 H new ATOM 0 HG SER A 90 -4.162 10.252 -0.037 1.00 0.82 H new ATOM 1380 N THR A 91 -3.251 6.701 -3.999 1.00 0.91 N ATOM 1381 CA THR A 91 -2.336 5.973 -4.856 1.00 0.95 C ATOM 1382 C THR A 91 -1.497 6.916 -5.710 1.00 1.04 C ATOM 1383 O THR A 91 -1.735 8.125 -5.740 1.00 1.09 O ATOM 1384 CB THR A 91 -3.103 5.003 -5.775 1.00 1.02 C ATOM 1385 OG1 THR A 91 -4.252 5.663 -6.328 1.00 1.06 O ATOM 1386 CG2 THR A 91 -3.544 3.768 -5.006 1.00 0.97 C ATOM 0 H THR A 91 -4.072 7.071 -4.478 1.00 0.91 H new ATOM 0 HA THR A 91 -1.670 5.407 -4.205 1.00 0.95 H new ATOM 0 HB THR A 91 -2.438 4.692 -6.580 1.00 1.02 H new ATOM 0 HG1 THR A 91 -4.735 5.043 -6.913 1.00 1.06 H new ATOM 0 HG21 THR A 91 -4.084 3.097 -5.674 1.00 0.97 H new ATOM 0 HG22 THR A 91 -2.668 3.256 -4.607 1.00 0.97 H new ATOM 0 HG23 THR A 91 -4.197 4.064 -4.185 1.00 0.97 H new ATOM 1394 N THR A 92 -0.516 6.341 -6.388 1.00 1.10 N ATOM 1395 CA THR A 92 0.389 7.071 -7.257 1.00 1.19 C ATOM 1396 C THR A 92 1.285 6.048 -7.961 1.00 1.24 C ATOM 1397 O THR A 92 1.453 4.943 -7.446 1.00 1.20 O ATOM 1398 CB THR A 92 1.227 8.095 -6.440 1.00 1.16 C ATOM 1399 OG1 THR A 92 2.153 8.799 -7.276 1.00 1.24 O ATOM 1400 CG2 THR A 92 1.982 7.410 -5.309 1.00 1.08 C ATOM 0 H THR A 92 -0.325 5.340 -6.348 1.00 1.10 H new ATOM 0 HA THR A 92 -0.169 7.643 -7.998 1.00 1.19 H new ATOM 0 HB THR A 92 0.525 8.812 -6.014 1.00 1.16 H new ATOM 0 HG1 THR A 92 2.862 8.188 -7.566 1.00 1.24 H new ATOM 0 HG21 THR A 92 2.559 8.151 -4.755 1.00 1.08 H new ATOM 0 HG22 THR A 92 1.272 6.927 -4.637 1.00 1.08 H new ATOM 0 HG23 THR A 92 2.656 6.661 -5.723 1.00 1.08 H new ATOM 1408 N PRO A 93 1.803 6.355 -9.168 1.00 1.35 N ATOM 1409 CA PRO A 93 2.678 5.442 -9.915 1.00 1.42 C ATOM 1410 C PRO A 93 3.803 4.848 -9.081 1.00 1.38 C ATOM 1411 O PRO A 93 4.293 5.460 -8.130 1.00 1.33 O ATOM 1412 CB PRO A 93 3.281 6.340 -10.986 1.00 1.52 C ATOM 1413 CG PRO A 93 2.223 7.352 -11.249 1.00 1.52 C ATOM 1414 CD PRO A 93 1.553 7.599 -9.921 1.00 1.42 C ATOM 0 HA PRO A 93 2.114 4.585 -10.284 1.00 1.42 H new ATOM 0 HB2 PRO A 93 4.203 6.808 -10.641 1.00 1.52 H new ATOM 0 HB3 PRO A 93 3.527 5.777 -11.886 1.00 1.52 H new ATOM 0 HG2 PRO A 93 2.652 8.271 -11.648 1.00 1.52 H new ATOM 0 HG3 PRO A 93 1.508 6.988 -11.986 1.00 1.52 H new ATOM 0 HD2 PRO A 93 1.976 8.466 -9.414 1.00 1.42 H new ATOM 0 HD3 PRO A 93 0.486 7.788 -10.039 1.00 1.42 H new ATOM 1422 N LEU A 94 4.219 3.663 -9.471 1.00 1.42 N ATOM 1423 CA LEU A 94 5.300 2.969 -8.801 1.00 1.41 C ATOM 1424 C LEU A 94 6.537 3.053 -9.682 1.00 1.50 C ATOM 1425 O LEU A 94 6.832 2.148 -10.463 1.00 1.53 O ATOM 1426 CB LEU A 94 4.920 1.510 -8.497 1.00 1.39 C ATOM 1427 CG LEU A 94 6.091 0.555 -8.217 1.00 1.43 C ATOM 1428 CD1 LEU A 94 6.758 0.872 -6.889 1.00 1.38 C ATOM 1429 CD2 LEU A 94 5.617 -0.888 -8.243 1.00 1.46 C ATOM 0 H LEU A 94 3.820 3.153 -10.259 1.00 1.42 H new ATOM 0 HA LEU A 94 5.505 3.441 -7.840 1.00 1.41 H new ATOM 0 HB2 LEU A 94 4.255 1.501 -7.634 1.00 1.39 H new ATOM 0 HB3 LEU A 94 4.352 1.119 -9.341 1.00 1.39 H new ATOM 0 HG LEU A 94 6.832 0.695 -9.004 1.00 1.43 H new ATOM 0 HD11 LEU A 94 7.582 0.179 -6.721 1.00 1.38 H new ATOM 0 HD12 LEU A 94 7.141 1.892 -6.908 1.00 1.38 H new ATOM 0 HD13 LEU A 94 6.030 0.773 -6.084 1.00 1.38 H new ATOM 0 HD21 LEU A 94 6.459 -1.551 -8.043 1.00 1.46 H new ATOM 0 HD22 LEU A 94 4.851 -1.033 -7.481 1.00 1.46 H new ATOM 0 HD23 LEU A 94 5.200 -1.116 -9.224 1.00 1.46 H new ATOM 1441 N GLU A 95 7.219 4.177 -9.593 1.00 1.54 N ATOM 1442 CA GLU A 95 8.420 4.398 -10.370 1.00 1.63 C ATOM 1443 C GLU A 95 9.636 4.231 -9.475 1.00 1.62 C ATOM 1444 O GLU A 95 9.782 4.928 -8.467 1.00 1.54 O ATOM 1445 CB GLU A 95 8.410 5.789 -10.988 1.00 1.61 C ATOM 1446 CG GLU A 95 7.077 6.179 -11.623 1.00 1.66 C ATOM 1447 CD GLU A 95 7.046 5.891 -13.106 1.00 1.76 C ATOM 1448 OE1 GLU A 95 6.710 4.755 -13.493 1.00 1.89 O ATOM 1449 OE2 GLU A 95 7.362 6.805 -13.900 1.00 1.92 O ATOM 0 H GLU A 95 6.959 4.955 -8.987 1.00 1.54 H new ATOM 0 HA GLU A 95 8.460 3.667 -11.178 1.00 1.63 H new ATOM 0 HB2 GLU A 95 8.661 6.519 -10.218 1.00 1.61 H new ATOM 0 HB3 GLU A 95 9.191 5.844 -11.746 1.00 1.61 H new ATOM 0 HG2 GLU A 95 6.270 5.636 -11.132 1.00 1.66 H new ATOM 0 HG3 GLU A 95 6.894 7.241 -11.457 1.00 1.66 H new ATOM 1612 N ILE B 106 3.345 -9.657 2.717 1.00 0.89 N ATOM 1613 CA ILE B 106 2.072 -9.825 2.033 1.00 0.86 C ATOM 1614 C ILE B 106 0.951 -10.109 3.026 1.00 0.77 C ATOM 1615 O ILE B 106 1.096 -10.943 3.923 1.00 0.81 O ATOM 1616 CB ILE B 106 2.146 -10.963 0.988 1.00 1.01 C ATOM 1617 CG1 ILE B 106 0.746 -11.339 0.492 1.00 1.40 C ATOM 1618 CG2 ILE B 106 2.861 -12.182 1.560 1.00 1.68 C ATOM 1619 CD1 ILE B 106 0.740 -12.430 -0.556 1.00 1.61 C ATOM 0 HA ILE B 106 1.855 -8.890 1.516 1.00 0.86 H new ATOM 0 HB ILE B 106 2.723 -10.601 0.137 1.00 1.01 H new ATOM 0 HG12 ILE B 106 0.145 -11.662 1.342 1.00 1.40 H new ATOM 0 HG13 ILE B 106 0.266 -10.451 0.081 1.00 1.40 H new ATOM 0 HG21 ILE B 106 2.900 -12.968 0.806 1.00 1.68 H new ATOM 0 HG22 ILE B 106 3.875 -11.906 1.850 1.00 1.68 H new ATOM 0 HG23 ILE B 106 2.320 -12.544 2.434 1.00 1.68 H new ATOM 0 HD11 ILE B 106 -0.286 -12.640 -0.857 1.00 1.61 H new ATOM 0 HD12 ILE B 106 1.313 -12.104 -1.424 1.00 1.61 H new ATOM 0 HD13 ILE B 106 1.189 -13.333 -0.143 1.00 1.61 H new ATOM 1631 N THR B 107 -0.154 -9.392 2.875 1.00 0.68 N ATOM 1632 CA THR B 107 -1.307 -9.564 3.741 1.00 0.63 C ATOM 1633 C THR B 107 -2.568 -9.031 3.078 1.00 0.57 C ATOM 1634 O THR B 107 -2.559 -7.970 2.450 1.00 0.56 O ATOM 1635 CB THR B 107 -1.085 -8.864 5.108 1.00 0.64 C ATOM 1636 OG1 THR B 107 -0.148 -9.618 5.892 1.00 0.80 O ATOM 1637 CG2 THR B 107 -2.383 -8.708 5.891 1.00 0.62 C ATOM 0 H THR B 107 -0.274 -8.681 2.154 1.00 0.68 H new ATOM 0 HA THR B 107 -1.432 -10.632 3.917 1.00 0.63 H new ATOM 0 HB THR B 107 -0.695 -7.867 4.904 1.00 0.64 H new ATOM 0 HG1 THR B 107 0.206 -10.358 5.356 1.00 0.80 H new ATOM 0 HG21 THR B 107 -2.178 -8.213 6.840 1.00 0.62 H new ATOM 0 HG22 THR B 107 -3.086 -8.108 5.314 1.00 0.62 H new ATOM 0 HG23 THR B 107 -2.814 -9.691 6.080 1.00 0.62 H new ATOM 1645 N LYS B 108 -3.636 -9.809 3.180 1.00 0.65 N ATOM 1646 CA LYS B 108 -4.923 -9.424 2.636 1.00 0.68 C ATOM 1647 C LYS B 108 -5.522 -8.368 3.546 1.00 0.58 C ATOM 1648 O LYS B 108 -5.651 -8.596 4.749 1.00 0.68 O ATOM 1649 CB LYS B 108 -5.845 -10.642 2.559 1.00 0.91 C ATOM 1650 CG LYS B 108 -5.295 -11.772 1.703 1.00 1.20 C ATOM 1651 CD LYS B 108 -6.190 -13.001 1.755 1.00 1.70 C ATOM 1652 CE LYS B 108 -6.202 -13.631 3.140 1.00 2.51 C ATOM 1653 NZ LYS B 108 -7.008 -14.877 3.178 1.00 3.39 N ATOM 0 H LYS B 108 -3.632 -10.719 3.640 1.00 0.65 H new ATOM 0 HA LYS B 108 -4.804 -9.025 1.629 1.00 0.68 H new ATOM 0 HB2 LYS B 108 -6.024 -11.016 3.567 1.00 0.91 H new ATOM 0 HB3 LYS B 108 -6.810 -10.331 2.159 1.00 0.91 H new ATOM 0 HG2 LYS B 108 -5.200 -11.434 0.671 1.00 1.20 H new ATOM 0 HG3 LYS B 108 -4.294 -12.035 2.046 1.00 1.20 H new ATOM 0 HD2 LYS B 108 -7.206 -12.724 1.473 1.00 1.70 H new ATOM 0 HD3 LYS B 108 -5.845 -13.733 1.025 1.00 1.70 H new ATOM 0 HE2 LYS B 108 -5.180 -13.851 3.447 1.00 2.51 H new ATOM 0 HE3 LYS B 108 -6.604 -12.917 3.859 1.00 2.51 H new ATOM 0 HZ1 LYS B 108 -6.989 -15.273 4.139 1.00 3.39 H new ATOM 0 HZ2 LYS B 108 -7.990 -14.663 2.910 1.00 3.39 H new ATOM 0 HZ3 LYS B 108 -6.610 -15.568 2.511 1.00 3.39 H new ATOM 1667 N VAL B 109 -5.883 -7.224 3.000 1.00 0.51 N ATOM 1668 CA VAL B 109 -6.423 -6.168 3.821 1.00 0.55 C ATOM 1669 C VAL B 109 -7.762 -5.714 3.279 1.00 0.76 C ATOM 1670 O VAL B 109 -7.847 -5.414 2.069 1.00 1.40 O ATOM 1671 CB VAL B 109 -5.431 -4.986 3.928 1.00 0.56 C ATOM 1672 CG1 VAL B 109 -4.956 -4.541 2.556 1.00 0.59 C ATOM 1673 CG2 VAL B 109 -6.049 -3.827 4.692 1.00 1.21 C ATOM 1674 OXT VAL B 109 -8.739 -5.709 4.054 1.00 1.18 O ATOM 0 H VAL B 109 -5.813 -7.007 2.006 1.00 0.51 H new ATOM 0 HA VAL B 109 -6.577 -6.557 4.827 1.00 0.55 H new ATOM 0 HB VAL B 109 -4.560 -5.332 4.485 1.00 0.56 H new ATOM 0 HG11 VAL B 109 -4.260 -3.709 2.664 1.00 0.59 H new ATOM 0 HG12 VAL B 109 -4.455 -5.371 2.058 1.00 0.59 H new ATOM 0 HG13 VAL B 109 -5.812 -4.223 1.960 1.00 0.59 H new ATOM 0 HG21 VAL B 109 -5.332 -3.008 4.754 1.00 1.21 H new ATOM 0 HG22 VAL B 109 -6.945 -3.486 4.174 1.00 1.21 H new ATOM 0 HG23 VAL B 109 -6.314 -4.154 5.698 1.00 1.21 H new