USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=12 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= -1.93! C(o=-1.6!,f=-6.6!) USER MOD Set 1.2: B 107 THR OG1 : rot 68:sc= 0.336 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-1.6) USER MOD Set 3.1: A 42 HIS : no HD1:sc= 0 X(o=-0.92,f=-0.95) USER MOD Set 3.2: A 56 GLN : amide:sc= -0.916! C(o=-0.92!,f=-6.8!) USER MOD Set 4.1: A 17 TYR OH : rot -23:sc= -0.177 USER MOD Set 4.2: A 83 SER OG : rot -82:sc= 0.717 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.105 F(o=-0.85,f=-0.1) 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= -0.372 X(o=-0.37,f=-0.062) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.19! C(o=-3.2!,f=-5.5!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0892 X(o=-0.089,f=-0.011) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.5) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -150:sc= -0.573 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.807 USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N MET A 4 -3.451 16.538 -2.659 1.00 1.28 N ATOM 29 CA MET A 4 -3.465 16.790 -4.092 1.00 1.37 C ATOM 30 C MET A 4 -4.225 15.694 -4.826 1.00 1.38 C ATOM 31 O MET A 4 -5.143 15.972 -5.592 1.00 1.57 O ATOM 32 CB MET A 4 -2.034 16.895 -4.633 1.00 1.36 C ATOM 33 CG MET A 4 -1.952 17.393 -6.068 1.00 1.51 C ATOM 34 SD MET A 4 -2.676 19.033 -6.269 1.00 1.75 S ATOM 35 CE MET A 4 -2.197 19.415 -7.952 1.00 1.95 C ATOM 0 HA MET A 4 -3.975 17.738 -4.264 1.00 1.37 H new ATOM 0 HB2 MET A 4 -1.462 17.567 -3.993 1.00 1.36 H new ATOM 0 HB3 MET A 4 -1.560 15.915 -4.571 1.00 1.36 H new ATOM 0 HG2 MET A 4 -0.908 17.419 -6.382 1.00 1.51 H new ATOM 0 HG3 MET A 4 -2.465 16.689 -6.724 1.00 1.51 H new ATOM 0 HE1 MET A 4 -2.573 20.402 -8.222 1.00 1.95 H new ATOM 0 HE2 MET A 4 -1.110 19.407 -8.032 1.00 1.95 H new ATOM 0 HE3 MET A 4 -2.616 18.669 -8.628 1.00 1.95 H new ATOM 45 N ARG A 5 -3.841 14.449 -4.582 1.00 1.21 N ATOM 46 CA ARG A 5 -4.486 13.313 -5.228 1.00 1.23 C ATOM 47 C ARG A 5 -5.672 12.830 -4.405 1.00 1.21 C ATOM 48 O ARG A 5 -5.547 12.615 -3.199 1.00 1.14 O ATOM 49 CB ARG A 5 -3.494 12.165 -5.423 1.00 1.15 C ATOM 50 CG ARG A 5 -2.596 12.319 -6.640 1.00 1.23 C ATOM 51 CD ARG A 5 -1.559 13.411 -6.436 1.00 1.22 C ATOM 52 NE ARG A 5 -0.479 13.329 -7.414 1.00 1.29 N ATOM 53 CZ ARG A 5 0.729 13.856 -7.231 1.00 1.34 C ATOM 54 NH1 ARG A 5 1.015 14.493 -6.100 1.00 1.32 N ATOM 55 NH2 ARG A 5 1.655 13.729 -8.174 1.00 1.48 N ATOM 0 H ARG A 5 -3.087 14.199 -3.942 1.00 1.21 H new ATOM 0 HA ARG A 5 -4.842 13.642 -6.205 1.00 1.23 H new ATOM 0 HB2 ARG A 5 -2.870 12.083 -4.533 1.00 1.15 H new ATOM 0 HB3 ARG A 5 -4.049 11.231 -5.510 1.00 1.15 H new ATOM 0 HG2 ARG A 5 -2.094 11.373 -6.844 1.00 1.23 H new ATOM 0 HG3 ARG A 5 -3.204 12.552 -7.514 1.00 1.23 H new ATOM 0 HD2 ARG A 5 -2.040 14.386 -6.509 1.00 1.22 H new ATOM 0 HD3 ARG A 5 -1.144 13.334 -5.431 1.00 1.22 H new ATOM 0 HE ARG A 5 -0.661 12.839 -8.290 1.00 1.29 H new ATOM 0 HH11 ARG A 5 0.308 14.579 -5.370 1.00 1.32 H new ATOM 0 HH12 ARG A 5 1.942 14.896 -5.962 1.00 1.32 H new ATOM 0 HH21 ARG A 5 1.440 13.228 -9.036 1.00 1.48 H new ATOM 0 HH22 ARG A 5 2.582 14.132 -8.036 1.00 1.48 H new ATOM 69 N PRO A 6 -6.842 12.669 -5.040 1.00 1.28 N ATOM 70 CA PRO A 6 -8.050 12.193 -4.363 1.00 1.28 C ATOM 71 C PRO A 6 -7.900 10.743 -3.903 1.00 1.20 C ATOM 72 O PRO A 6 -7.399 9.898 -4.652 1.00 1.19 O ATOM 73 CB PRO A 6 -9.130 12.316 -5.440 1.00 1.41 C ATOM 74 CG PRO A 6 -8.395 12.249 -6.716 1.00 1.43 C ATOM 75 CD PRO A 6 -7.088 12.941 -6.467 1.00 1.37 C ATOM 0 HA PRO A 6 -8.277 12.760 -3.460 1.00 1.28 H new ATOM 0 HB2 PRO A 6 -9.861 11.511 -5.361 1.00 1.41 H new ATOM 0 HB3 PRO A 6 -9.677 13.254 -5.347 1.00 1.41 H new ATOM 0 HG2 PRO A 6 -8.238 11.215 -7.024 1.00 1.43 H new ATOM 0 HG3 PRO A 6 -8.952 12.739 -7.515 1.00 1.43 H new ATOM 0 HD2 PRO A 6 -6.293 12.543 -7.098 1.00 1.37 H new ATOM 0 HD3 PRO A 6 -7.151 14.010 -6.670 1.00 1.37 H new ATOM 83 N PRO A 7 -8.308 10.433 -2.664 1.00 1.16 N ATOM 84 CA PRO A 7 -8.201 9.080 -2.124 1.00 1.08 C ATOM 85 C PRO A 7 -9.101 8.077 -2.835 1.00 1.12 C ATOM 86 O PRO A 7 -10.119 8.436 -3.431 1.00 1.23 O ATOM 87 CB PRO A 7 -8.643 9.221 -0.663 1.00 1.05 C ATOM 88 CG PRO A 7 -8.629 10.680 -0.375 1.00 1.12 C ATOM 89 CD PRO A 7 -8.890 11.366 -1.685 1.00 1.20 C ATOM 0 HA PRO A 7 -7.188 8.697 -2.248 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -9.638 8.802 -0.513 1.00 1.05 H new ATOM 0 HB3 PRO A 7 -7.968 8.684 0.003 1.00 1.05 H new ATOM 0 HG2 PRO A 7 -9.391 10.940 0.359 1.00 1.12 H new ATOM 0 HG3 PRO A 7 -7.669 10.986 0.041 1.00 1.12 H new ATOM 0 HD2 PRO A 7 -9.956 11.519 -1.856 1.00 1.20 H new ATOM 0 HD3 PRO A 7 -8.416 12.347 -1.730 1.00 1.20 H new ATOM 97 N ILE A 8 -8.697 6.822 -2.766 1.00 1.04 N ATOM 98 CA ILE A 8 -9.428 5.722 -3.356 1.00 1.07 C ATOM 99 C ILE A 8 -10.339 5.114 -2.300 1.00 1.05 C ATOM 100 O ILE A 8 -9.902 4.275 -1.516 1.00 0.97 O ATOM 101 CB ILE A 8 -8.468 4.634 -3.875 1.00 1.04 C ATOM 102 CG1 ILE A 8 -7.438 5.233 -4.839 1.00 1.08 C ATOM 103 CG2 ILE A 8 -9.243 3.514 -4.547 1.00 1.09 C ATOM 104 CD1 ILE A 8 -7.942 5.409 -6.253 1.00 1.19 C ATOM 0 H ILE A 8 -7.840 6.537 -2.292 1.00 1.04 H new ATOM 0 HA ILE A 8 -10.010 6.101 -4.196 1.00 1.07 H new ATOM 0 HB ILE A 8 -7.933 4.217 -3.022 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -7.119 6.202 -4.456 1.00 1.08 H new ATOM 0 HG13 ILE A 8 -6.557 4.591 -4.856 1.00 1.08 H new ATOM 0 HG21 ILE A 8 -8.548 2.755 -4.907 1.00 1.09 H new ATOM 0 HG22 ILE A 8 -9.930 3.065 -3.829 1.00 1.09 H new ATOM 0 HG23 ILE A 8 -9.808 3.916 -5.388 1.00 1.09 H new ATOM 0 HD11 ILE A 8 -7.152 5.838 -6.870 1.00 1.19 H new ATOM 0 HD12 ILE A 8 -8.234 4.440 -6.659 1.00 1.19 H new ATOM 0 HD13 ILE A 8 -8.804 6.076 -6.252 1.00 1.19 H new ATOM 116 N ILE A 9 -11.578 5.585 -2.236 1.00 1.12 N ATOM 117 CA ILE A 9 -12.536 5.088 -1.262 1.00 1.12 C ATOM 118 C ILE A 9 -12.973 3.668 -1.613 1.00 1.13 C ATOM 119 O ILE A 9 -13.854 3.456 -2.448 1.00 1.21 O ATOM 120 CB ILE A 9 -13.781 6.004 -1.164 1.00 1.23 C ATOM 121 CG1 ILE A 9 -13.480 7.333 -0.469 1.00 1.23 C ATOM 122 CG2 ILE A 9 -14.904 5.307 -0.412 1.00 1.26 C ATOM 123 CD1 ILE A 9 -12.196 8.023 -0.875 1.00 1.20 C ATOM 0 H ILE A 9 -11.942 6.313 -2.850 1.00 1.12 H new ATOM 0 HA ILE A 9 -12.037 5.084 -0.293 1.00 1.12 H new ATOM 0 HB ILE A 9 -14.085 6.214 -2.190 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -14.310 8.014 -0.658 1.00 1.23 H new ATOM 0 HG13 ILE A 9 -13.450 7.158 0.606 1.00 1.23 H new ATOM 0 HG21 ILE A 9 -15.769 5.968 -0.355 1.00 1.26 H new ATOM 0 HG22 ILE A 9 -15.181 4.393 -0.937 1.00 1.26 H new ATOM 0 HG23 ILE A 9 -14.569 5.060 0.595 1.00 1.26 H new ATOM 0 HD11 ILE A 9 -12.091 8.953 -0.317 1.00 1.20 H new ATOM 0 HD12 ILE A 9 -11.349 7.372 -0.658 1.00 1.20 H new ATOM 0 HD13 ILE A 9 -12.222 8.241 -1.943 1.00 1.20 H new ATOM 135 N ILE A 10 -12.323 2.700 -0.996 1.00 1.03 N ATOM 136 CA ILE A 10 -12.630 1.305 -1.217 1.00 1.03 C ATOM 137 C ILE A 10 -13.619 0.810 -0.186 1.00 1.04 C ATOM 138 O ILE A 10 -13.452 1.040 1.007 1.00 0.99 O ATOM 139 CB ILE A 10 -11.364 0.445 -1.135 1.00 0.93 C ATOM 140 CG1 ILE A 10 -10.293 1.005 -2.056 1.00 0.93 C ATOM 141 CG2 ILE A 10 -11.681 -0.989 -1.507 1.00 0.94 C ATOM 142 CD1 ILE A 10 -8.902 0.516 -1.741 1.00 0.84 C ATOM 0 H ILE A 10 -11.569 2.861 -0.329 1.00 1.03 H new ATOM 0 HA ILE A 10 -13.061 1.219 -2.214 1.00 1.03 H new ATOM 0 HB ILE A 10 -10.990 0.464 -0.111 1.00 0.93 H new ATOM 0 HG12 ILE A 10 -10.537 0.740 -3.085 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -10.308 2.093 -1.995 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -10.774 -1.590 -1.445 1.00 0.94 H new ATOM 0 HG22 ILE A 10 -12.427 -1.387 -0.819 1.00 0.94 H new ATOM 0 HG23 ILE A 10 -12.070 -1.023 -2.525 1.00 0.94 H new ATOM 0 HD11 ILE A 10 -8.193 0.959 -2.441 1.00 0.84 H new ATOM 0 HD12 ILE A 10 -8.636 0.805 -0.724 1.00 0.84 H new ATOM 0 HD13 ILE A 10 -8.869 -0.570 -1.830 1.00 0.84 H new ATOM 154 N HIS A 11 -14.648 0.145 -0.657 1.00 1.13 N ATOM 155 CA HIS A 11 -15.663 -0.400 0.217 1.00 1.17 C ATOM 156 C HIS A 11 -15.272 -1.807 0.653 1.00 1.10 C ATOM 157 O HIS A 11 -14.512 -2.486 -0.032 1.00 1.08 O ATOM 158 CB HIS A 11 -17.003 -0.423 -0.509 1.00 1.31 C ATOM 159 CG HIS A 11 -17.642 0.924 -0.649 1.00 1.40 C ATOM 160 ND1 HIS A 11 -17.209 2.126 -0.214 1.00 1.57 N flip ATOM 161 CD2 HIS A 11 -18.842 1.087 -1.299 1.00 1.41 C flip ATOM 162 CE1 HIS A 11 -18.146 3.051 -0.595 1.00 1.64 C flip ATOM 163 NE2 HIS A 11 -19.109 2.380 -1.244 1.00 1.54 N flip ATOM 0 H HIS A 11 -14.806 -0.033 -1.649 1.00 1.13 H new ATOM 0 HA HIS A 11 -15.752 0.227 1.104 1.00 1.17 H new ATOM 0 HB2 HIS A 11 -16.860 -0.851 -1.501 1.00 1.31 H new ATOM 0 HB3 HIS A 11 -17.684 -1.083 0.028 1.00 1.31 H new ATOM 0 HD2 HIS A 11 -19.443 0.317 -1.760 1.00 1.41 H new ATOM 0 HE1 HIS A 11 -18.115 4.114 -0.409 1.00 1.64 H new ATOM 0 HE2 HIS A 11 -19.941 2.813 -1.644 1.00 1.54 H new ATOM 171 N ARG A 12 -15.763 -2.230 1.804 1.00 1.10 N ATOM 172 CA ARG A 12 -15.471 -3.550 2.319 1.00 1.06 C ATOM 173 C ARG A 12 -16.191 -4.615 1.496 1.00 1.10 C ATOM 174 O ARG A 12 -17.252 -4.359 0.922 1.00 1.17 O ATOM 175 CB ARG A 12 -15.903 -3.628 3.779 1.00 1.08 C ATOM 176 CG ARG A 12 -17.381 -3.339 3.979 1.00 1.15 C ATOM 177 CD ARG A 12 -17.825 -3.744 5.364 1.00 1.20 C ATOM 178 NE ARG A 12 -19.274 -3.648 5.540 1.00 1.31 N ATOM 179 CZ ARG A 12 -19.897 -3.879 6.697 1.00 1.44 C ATOM 180 NH1 ARG A 12 -19.193 -4.188 7.784 1.00 1.51 N ATOM 181 NH2 ARG A 12 -21.221 -3.790 6.770 1.00 1.56 N ATOM 0 H ARG A 12 -16.371 -1.671 2.402 1.00 1.10 H new ATOM 0 HA ARG A 12 -14.399 -3.733 2.249 1.00 1.06 H new ATOM 0 HB2 ARG A 12 -15.678 -4.622 4.166 1.00 1.08 H new ATOM 0 HB3 ARG A 12 -15.318 -2.918 4.363 1.00 1.08 H new ATOM 0 HG2 ARG A 12 -17.572 -2.277 3.827 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -17.965 -3.878 3.233 1.00 1.15 H new ATOM 0 HD2 ARG A 12 -17.506 -4.768 5.559 1.00 1.20 H new ATOM 0 HD3 ARG A 12 -17.330 -3.110 6.100 1.00 1.20 H new ATOM 0 HE ARG A 12 -19.840 -3.390 4.732 1.00 1.31 H new ATOM 0 HH11 ARG A 12 -18.176 -4.248 7.733 1.00 1.51 H new ATOM 0 HH12 ARG A 12 -19.671 -4.364 8.668 1.00 1.51 H new ATOM 0 HH21 ARG A 12 -21.762 -3.545 5.941 1.00 1.56 H new ATOM 0 HH22 ARG A 12 -21.696 -3.967 7.655 1.00 1.56 H new ATOM 256 N TYR A 17 -10.482 -6.081 0.669 1.00 0.70 N ATOM 257 CA TYR A 17 -11.063 -4.854 0.143 1.00 0.74 C ATOM 258 C TYR A 17 -10.955 -4.903 -1.365 1.00 0.83 C ATOM 259 O TYR A 17 -11.393 -4.004 -2.076 1.00 0.92 O ATOM 260 CB TYR A 17 -10.329 -3.610 0.651 1.00 0.70 C ATOM 261 CG TYR A 17 -10.606 -3.255 2.092 1.00 0.66 C ATOM 262 CD1 TYR A 17 -11.651 -2.408 2.440 1.00 0.73 C ATOM 263 CD2 TYR A 17 -9.807 -3.755 3.099 1.00 0.60 C ATOM 264 CE1 TYR A 17 -11.886 -2.074 3.762 1.00 0.74 C ATOM 265 CE2 TYR A 17 -10.030 -3.436 4.419 1.00 0.61 C ATOM 266 CZ TYR A 17 -11.073 -2.594 4.750 1.00 0.69 C ATOM 267 OH TYR A 17 -11.297 -2.264 6.069 1.00 0.73 O ATOM 0 HA TYR A 17 -12.099 -4.786 0.474 1.00 0.74 H new ATOM 0 HB2 TYR A 17 -9.257 -3.763 0.529 1.00 0.70 H new ATOM 0 HB3 TYR A 17 -10.603 -2.762 0.023 1.00 0.70 H new ATOM 0 HD1 TYR A 17 -12.289 -2.005 1.668 1.00 0.73 H new ATOM 0 HD2 TYR A 17 -8.988 -4.412 2.846 1.00 0.60 H new ATOM 0 HE1 TYR A 17 -12.699 -1.412 4.019 1.00 0.74 H new ATOM 0 HE2 TYR A 17 -9.393 -3.842 5.191 1.00 0.61 H new ATOM 0 HH TYR A 17 -11.785 -1.416 6.116 1.00 0.73 H new ATOM 277 N GLY A 18 -10.340 -5.967 -1.843 1.00 0.83 N ATOM 278 CA GLY A 18 -10.166 -6.144 -3.256 1.00 0.95 C ATOM 279 C GLY A 18 -8.734 -5.980 -3.678 1.00 0.92 C ATOM 280 O GLY A 18 -8.447 -5.892 -4.867 1.00 1.03 O ATOM 0 H GLY A 18 -9.956 -6.717 -1.268 1.00 0.83 H new ATOM 0 HA2 GLY A 18 -10.515 -7.136 -3.542 1.00 0.95 H new ATOM 0 HA3 GLY A 18 -10.785 -5.422 -3.789 1.00 0.95 H new ATOM 284 N PHE A 19 -7.824 -5.911 -2.720 1.00 0.79 N ATOM 285 CA PHE A 19 -6.424 -5.760 -3.067 1.00 0.79 C ATOM 286 C PHE A 19 -5.467 -6.403 -2.079 1.00 0.72 C ATOM 287 O PHE A 19 -5.808 -6.757 -0.941 1.00 0.65 O ATOM 288 CB PHE A 19 -6.050 -4.289 -3.261 1.00 0.80 C ATOM 289 CG PHE A 19 -5.902 -3.491 -1.990 1.00 0.71 C ATOM 290 CD1 PHE A 19 -7.010 -2.969 -1.345 1.00 0.70 C ATOM 291 CD2 PHE A 19 -4.643 -3.247 -1.459 1.00 0.67 C ATOM 292 CE1 PHE A 19 -6.866 -2.217 -0.191 1.00 0.64 C ATOM 293 CE2 PHE A 19 -4.494 -2.502 -0.306 1.00 0.59 C ATOM 294 CZ PHE A 19 -5.607 -1.985 0.326 1.00 0.58 C ATOM 0 H PHE A 19 -8.023 -5.956 -1.721 1.00 0.79 H new ATOM 0 HA PHE A 19 -6.312 -6.296 -4.010 1.00 0.79 H new ATOM 0 HB2 PHE A 19 -5.112 -4.239 -3.814 1.00 0.80 H new ATOM 0 HB3 PHE A 19 -6.811 -3.816 -3.882 1.00 0.80 H new ATOM 0 HD1 PHE A 19 -7.996 -3.150 -1.746 1.00 0.70 H new ATOM 0 HD2 PHE A 19 -3.769 -3.645 -1.954 1.00 0.67 H new ATOM 0 HE1 PHE A 19 -7.737 -1.813 0.304 1.00 0.64 H new ATOM 0 HE2 PHE A 19 -3.509 -2.324 0.100 1.00 0.59 H new ATOM 0 HZ PHE A 19 -5.493 -1.399 1.226 1.00 0.58 H new ATOM 304 N THR A 20 -4.250 -6.522 -2.563 1.00 0.76 N ATOM 305 CA THR A 20 -3.148 -7.095 -1.819 1.00 0.74 C ATOM 306 C THR A 20 -2.106 -6.030 -1.548 1.00 0.71 C ATOM 307 O THR A 20 -1.618 -5.379 -2.473 1.00 0.80 O ATOM 308 CB THR A 20 -2.490 -8.250 -2.605 1.00 0.87 C ATOM 309 OG1 THR A 20 -3.412 -9.343 -2.732 1.00 0.92 O ATOM 310 CG2 THR A 20 -1.201 -8.733 -1.932 1.00 0.89 C ATOM 0 H THR A 20 -3.993 -6.218 -3.502 1.00 0.76 H new ATOM 0 HA THR A 20 -3.541 -7.486 -0.880 1.00 0.74 H new ATOM 0 HB THR A 20 -2.229 -7.872 -3.593 1.00 0.87 H new ATOM 0 HG1 THR A 20 -2.989 -10.071 -3.233 1.00 0.92 H new ATOM 0 HG21 THR A 20 -0.769 -9.546 -2.515 1.00 0.89 H new ATOM 0 HG22 THR A 20 -0.490 -7.909 -1.875 1.00 0.89 H new ATOM 0 HG23 THR A 20 -1.427 -9.088 -0.926 1.00 0.89 H new ATOM 318 N LEU A 21 -1.783 -5.834 -0.290 1.00 0.61 N ATOM 319 CA LEU A 21 -0.793 -4.852 0.078 1.00 0.60 C ATOM 320 C LEU A 21 0.542 -5.543 0.287 1.00 0.67 C ATOM 321 O LEU A 21 0.644 -6.491 1.070 1.00 0.65 O ATOM 322 CB LEU A 21 -1.232 -4.107 1.339 1.00 0.47 C ATOM 323 CG LEU A 21 -0.345 -2.932 1.754 1.00 0.47 C ATOM 324 CD1 LEU A 21 -0.144 -1.968 0.593 1.00 0.52 C ATOM 325 CD2 LEU A 21 -0.960 -2.209 2.937 1.00 0.39 C ATOM 0 H LEU A 21 -2.192 -6.342 0.494 1.00 0.61 H new ATOM 0 HA LEU A 21 -0.687 -4.119 -0.721 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -2.246 -3.738 1.187 1.00 0.47 H new ATOM 0 HB3 LEU A 21 -1.272 -4.818 2.164 1.00 0.47 H new ATOM 0 HG LEU A 21 0.630 -3.323 2.044 1.00 0.47 H new ATOM 0 HD11 LEU A 21 0.490 -1.141 0.912 1.00 0.52 H new ATOM 0 HD12 LEU A 21 0.332 -2.491 -0.236 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -1.110 -1.581 0.270 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -0.321 -1.374 3.225 1.00 0.39 H new ATOM 0 HD22 LEU A 21 -1.946 -1.834 2.662 1.00 0.39 H new ATOM 0 HD23 LEU A 21 -1.056 -2.899 3.775 1.00 0.39 H new ATOM 337 N ARG A 22 1.553 -5.102 -0.437 1.00 0.79 N ATOM 338 CA ARG A 22 2.870 -5.693 -0.320 1.00 0.89 C ATOM 339 C ARG A 22 3.897 -4.627 0.020 1.00 0.90 C ATOM 340 O ARG A 22 4.059 -3.647 -0.706 1.00 0.94 O ATOM 341 CB ARG A 22 3.261 -6.420 -1.610 1.00 1.03 C ATOM 342 CG ARG A 22 2.450 -7.679 -1.877 1.00 1.03 C ATOM 343 CD ARG A 22 3.228 -8.675 -2.732 1.00 1.21 C ATOM 344 NE ARG A 22 4.507 -9.074 -2.135 1.00 1.31 N ATOM 345 CZ ARG A 22 5.680 -9.032 -2.778 1.00 1.47 C ATOM 346 NH1 ARG A 22 5.766 -8.511 -3.997 1.00 1.60 N ATOM 347 NH2 ARG A 22 6.766 -9.512 -2.190 1.00 1.66 N ATOM 0 H ARG A 22 1.487 -4.339 -1.110 1.00 0.79 H new ATOM 0 HA ARG A 22 2.844 -6.426 0.487 1.00 0.89 H new ATOM 0 HB2 ARG A 22 3.141 -5.737 -2.451 1.00 1.03 H new ATOM 0 HB3 ARG A 22 4.318 -6.684 -1.561 1.00 1.03 H new ATOM 0 HG2 ARG A 22 2.178 -8.145 -0.930 1.00 1.03 H new ATOM 0 HG3 ARG A 22 1.520 -7.414 -2.380 1.00 1.03 H new ATOM 0 HD2 ARG A 22 2.616 -9.563 -2.891 1.00 1.21 H new ATOM 0 HD3 ARG A 22 3.413 -8.236 -3.712 1.00 1.21 H new ATOM 0 HE ARG A 22 4.502 -9.404 -1.170 1.00 1.31 H new ATOM 0 HH11 ARG A 22 4.933 -8.138 -4.452 1.00 1.60 H new ATOM 0 HH12 ARG A 22 6.665 -8.484 -4.478 1.00 1.60 H new ATOM 0 HH21 ARG A 22 6.705 -9.910 -1.253 1.00 1.66 H new ATOM 0 HH22 ARG A 22 7.663 -9.483 -2.674 1.00 1.66 H new ATOM 361 N ALA A 23 4.567 -4.819 1.141 1.00 0.90 N ATOM 362 CA ALA A 23 5.584 -3.893 1.598 1.00 0.92 C ATOM 363 C ALA A 23 6.888 -4.170 0.870 1.00 1.06 C ATOM 364 O ALA A 23 7.583 -5.142 1.180 1.00 1.07 O ATOM 365 CB ALA A 23 5.771 -4.019 3.101 1.00 0.90 C ATOM 0 H ALA A 23 4.422 -5.618 1.758 1.00 0.90 H new ATOM 0 HA ALA A 23 5.268 -2.873 1.379 1.00 0.92 H new ATOM 0 HB1 ALA A 23 6.537 -3.318 3.432 1.00 0.90 H new ATOM 0 HB2 ALA A 23 4.831 -3.793 3.605 1.00 0.90 H new ATOM 0 HB3 ALA A 23 6.079 -5.036 3.345 1.00 0.90 H new ATOM 371 N ILE A 24 7.199 -3.333 -0.109 1.00 1.19 N ATOM 372 CA ILE A 24 8.412 -3.496 -0.889 1.00 1.33 C ATOM 373 C ILE A 24 9.584 -2.806 -0.204 1.00 1.38 C ATOM 374 O ILE A 24 9.506 -1.632 0.164 1.00 1.29 O ATOM 375 CB ILE A 24 8.250 -2.981 -2.339 1.00 1.38 C ATOM 376 CG1 ILE A 24 7.697 -1.552 -2.374 1.00 1.29 C ATOM 377 CG2 ILE A 24 7.329 -3.910 -3.116 1.00 1.42 C ATOM 378 CD1 ILE A 24 7.950 -0.837 -3.686 1.00 1.35 C ATOM 0 H ILE A 24 6.626 -2.534 -0.381 1.00 1.19 H new ATOM 0 HA ILE A 24 8.615 -4.565 -0.949 1.00 1.33 H new ATOM 0 HB ILE A 24 9.237 -2.968 -2.801 1.00 1.38 H new ATOM 0 HG12 ILE A 24 6.624 -1.582 -2.187 1.00 1.29 H new ATOM 0 HG13 ILE A 24 8.146 -0.977 -1.564 1.00 1.29 H new ATOM 0 HG21 ILE A 24 7.218 -3.543 -4.136 1.00 1.42 H new ATOM 0 HG22 ILE A 24 7.756 -4.913 -3.136 1.00 1.42 H new ATOM 0 HG23 ILE A 24 6.352 -3.941 -2.634 1.00 1.42 H new ATOM 0 HD11 ILE A 24 7.532 0.168 -3.639 1.00 1.35 H new ATOM 0 HD12 ILE A 24 9.023 -0.775 -3.866 1.00 1.35 H new ATOM 0 HD13 ILE A 24 7.477 -1.389 -4.498 1.00 1.35 H new ATOM 561 N VAL A 36 11.221 1.350 2.731 1.00 1.22 N ATOM 562 CA VAL A 36 10.057 0.483 2.644 1.00 1.15 C ATOM 563 C VAL A 36 8.855 1.261 2.120 1.00 1.08 C ATOM 564 O VAL A 36 8.439 2.263 2.705 1.00 1.07 O ATOM 565 CB VAL A 36 9.727 -0.170 4.010 1.00 1.11 C ATOM 566 CG1 VAL A 36 9.617 0.873 5.113 1.00 1.09 C ATOM 567 CG2 VAL A 36 8.451 -0.998 3.921 1.00 1.04 C ATOM 0 HA VAL A 36 10.292 -0.319 1.944 1.00 1.15 H new ATOM 0 HB VAL A 36 10.551 -0.836 4.265 1.00 1.11 H new ATOM 0 HG11 VAL A 36 9.385 0.381 6.057 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.563 1.407 5.205 1.00 1.09 H new ATOM 0 HG13 VAL A 36 8.824 1.580 4.868 1.00 1.09 H new ATOM 0 HG21 VAL A 36 8.240 -1.446 4.892 1.00 1.04 H new ATOM 0 HG22 VAL A 36 7.620 -0.356 3.630 1.00 1.04 H new ATOM 0 HG23 VAL A 36 8.579 -1.785 3.178 1.00 1.04 H new ATOM 577 N HIS A 37 8.325 0.819 0.994 1.00 1.06 N ATOM 578 CA HIS A 37 7.175 1.465 0.393 1.00 1.01 C ATOM 579 C HIS A 37 5.955 0.569 0.506 1.00 0.93 C ATOM 580 O HIS A 37 6.061 -0.657 0.419 1.00 0.97 O ATOM 581 CB HIS A 37 7.435 1.787 -1.079 1.00 1.10 C ATOM 582 CG HIS A 37 8.587 2.713 -1.324 1.00 1.18 C ATOM 583 ND1 HIS A 37 8.395 4.060 -1.512 1.00 1.25 N ATOM 584 CD2 HIS A 37 9.908 2.436 -1.430 1.00 1.26 C ATOM 585 CE1 HIS A 37 9.596 4.568 -1.731 1.00 1.33 C ATOM 586 NE2 HIS A 37 10.543 3.624 -1.690 1.00 1.34 N ATOM 0 H HIS A 37 8.675 0.013 0.477 1.00 1.06 H new ATOM 0 HA HIS A 37 6.995 2.397 0.928 1.00 1.01 H new ATOM 0 HB2 HIS A 37 7.616 0.855 -1.614 1.00 1.10 H new ATOM 0 HB3 HIS A 37 6.534 2.229 -1.505 1.00 1.10 H new ATOM 0 HD2 HIS A 37 10.373 1.466 -1.329 1.00 1.26 H new ATOM 0 HE1 HIS A 37 9.788 5.614 -1.919 1.00 1.33 H new ATOM 0 HE2 HIS A 37 11.545 3.761 -1.826 1.00 1.34 H new ATOM 594 N HIS A 38 4.803 1.186 0.693 1.00 0.82 N ATOM 595 CA HIS A 38 3.549 0.458 0.807 1.00 0.74 C ATOM 596 C HIS A 38 2.795 0.579 -0.502 1.00 0.78 C ATOM 597 O HIS A 38 2.125 1.581 -0.765 1.00 0.77 O ATOM 598 CB HIS A 38 2.710 0.990 1.973 1.00 0.62 C ATOM 599 CG HIS A 38 3.405 0.893 3.295 1.00 0.59 C ATOM 600 ND1 HIS A 38 3.654 -0.323 3.888 1.00 0.60 N ATOM 601 CD2 HIS A 38 3.899 1.878 4.082 1.00 0.59 C ATOM 602 CE1 HIS A 38 4.293 -0.050 5.010 1.00 0.61 C ATOM 603 NE2 HIS A 38 4.464 1.269 5.172 1.00 0.60 N ATOM 0 H HIS A 38 4.708 2.199 0.770 1.00 0.82 H new ATOM 0 HA HIS A 38 3.756 -0.592 1.012 1.00 0.74 H new ATOM 0 HB2 HIS A 38 2.453 2.032 1.781 1.00 0.62 H new ATOM 0 HB3 HIS A 38 1.774 0.434 2.021 1.00 0.62 H new ATOM 0 HD2 HIS A 38 3.856 2.940 3.888 1.00 0.59 H new ATOM 0 HE1 HIS A 38 4.636 -0.797 5.711 1.00 0.61 H new ATOM 0 HE2 HIS A 38 4.926 1.731 5.956 1.00 0.60 H new ATOM 611 N MET A 39 2.926 -0.436 -1.334 1.00 0.84 N ATOM 612 CA MET A 39 2.290 -0.426 -2.635 1.00 0.91 C ATOM 613 C MET A 39 1.304 -1.571 -2.791 1.00 0.88 C ATOM 614 O MET A 39 1.552 -2.693 -2.344 1.00 0.87 O ATOM 615 CB MET A 39 3.357 -0.508 -3.738 1.00 1.05 C ATOM 616 CG MET A 39 2.818 -0.948 -5.094 1.00 1.11 C ATOM 617 SD MET A 39 3.273 -2.643 -5.514 1.00 1.16 S ATOM 618 CE MET A 39 4.822 -2.367 -6.361 1.00 1.33 C ATOM 0 H MET A 39 3.467 -1.277 -1.132 1.00 0.84 H new ATOM 0 HA MET A 39 1.734 0.508 -2.724 1.00 0.91 H new ATOM 0 HB2 MET A 39 3.828 0.469 -3.846 1.00 1.05 H new ATOM 0 HB3 MET A 39 4.135 -1.204 -3.425 1.00 1.05 H new ATOM 0 HG2 MET A 39 1.732 -0.858 -5.094 1.00 1.11 H new ATOM 0 HG3 MET A 39 3.194 -0.275 -5.865 1.00 1.11 H new ATOM 0 HE1 MET A 39 5.234 -3.322 -6.686 1.00 1.33 H new ATOM 0 HE2 MET A 39 4.653 -1.731 -7.230 1.00 1.33 H new ATOM 0 HE3 MET A 39 5.525 -1.880 -5.685 1.00 1.33 H new ATOM 628 N VAL A 40 0.163 -1.261 -3.390 1.00 0.87 N ATOM 629 CA VAL A 40 -0.838 -2.264 -3.677 1.00 0.87 C ATOM 630 C VAL A 40 -0.269 -3.148 -4.781 1.00 1.00 C ATOM 631 O VAL A 40 -0.004 -2.679 -5.884 1.00 1.10 O ATOM 632 CB VAL A 40 -2.182 -1.624 -4.104 1.00 0.87 C ATOM 633 CG1 VAL A 40 -1.946 -0.329 -4.863 1.00 0.94 C ATOM 634 CG2 VAL A 40 -3.011 -2.586 -4.939 1.00 0.93 C ATOM 0 H VAL A 40 -0.088 -0.318 -3.685 1.00 0.87 H new ATOM 0 HA VAL A 40 -1.058 -2.851 -2.785 1.00 0.87 H new ATOM 0 HB VAL A 40 -2.742 -1.397 -3.197 1.00 0.87 H new ATOM 0 HG11 VAL A 40 -2.904 0.103 -5.153 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -1.409 0.374 -4.226 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.355 -0.533 -5.756 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -3.948 -2.107 -5.223 1.00 0.93 H new ATOM 0 HG22 VAL A 40 -2.457 -2.859 -5.837 1.00 0.93 H new ATOM 0 HG23 VAL A 40 -3.224 -3.483 -4.357 1.00 0.93 H new ATOM 644 N TRP A 41 -0.068 -4.411 -4.475 1.00 1.00 N ATOM 645 CA TRP A 41 0.549 -5.337 -5.413 1.00 1.13 C ATOM 646 C TRP A 41 -0.422 -5.845 -6.467 1.00 1.19 C ATOM 647 O TRP A 41 -0.060 -5.979 -7.640 1.00 1.30 O ATOM 648 CB TRP A 41 1.140 -6.519 -4.651 1.00 1.14 C ATOM 649 CG TRP A 41 1.890 -7.473 -5.526 1.00 1.32 C ATOM 650 CD1 TRP A 41 1.489 -8.718 -5.916 1.00 1.39 C ATOM 651 CD2 TRP A 41 3.176 -7.261 -6.115 1.00 1.46 C ATOM 652 NE1 TRP A 41 2.450 -9.291 -6.714 1.00 1.56 N ATOM 653 CE2 TRP A 41 3.494 -8.414 -6.850 1.00 1.61 C ATOM 654 CE3 TRP A 41 4.091 -6.206 -6.087 1.00 1.50 C ATOM 655 CZ2 TRP A 41 4.687 -8.541 -7.556 1.00 1.78 C ATOM 656 CZ3 TRP A 41 5.271 -6.330 -6.790 1.00 1.69 C ATOM 657 CH2 TRP A 41 5.561 -7.490 -7.515 1.00 1.82 C ATOM 0 H TRP A 41 -0.323 -4.827 -3.579 1.00 1.00 H new ATOM 0 HA TRP A 41 1.332 -4.789 -5.936 1.00 1.13 H new ATOM 0 HB2 TRP A 41 1.809 -6.145 -3.876 1.00 1.14 H new ATOM 0 HB3 TRP A 41 0.336 -7.055 -4.146 1.00 1.14 H new ATOM 0 HD1 TRP A 41 0.555 -9.184 -5.639 1.00 1.39 H new ATOM 0 HE1 TRP A 41 2.395 -10.218 -7.136 1.00 1.56 H new ATOM 0 HE3 TRP A 41 3.878 -5.309 -5.525 1.00 1.50 H new ATOM 0 HZ2 TRP A 41 4.914 -9.436 -8.115 1.00 1.78 H new ATOM 0 HZ3 TRP A 41 5.983 -5.518 -6.780 1.00 1.69 H new ATOM 0 HH2 TRP A 41 6.495 -7.557 -8.054 1.00 1.82 H new ATOM 668 N HIS A 42 -1.642 -6.128 -6.059 1.00 1.12 N ATOM 669 CA HIS A 42 -2.632 -6.654 -6.981 1.00 1.19 C ATOM 670 C HIS A 42 -4.030 -6.216 -6.579 1.00 1.12 C ATOM 671 O HIS A 42 -4.325 -6.059 -5.392 1.00 1.01 O ATOM 672 CB HIS A 42 -2.549 -8.186 -6.990 1.00 1.23 C ATOM 673 CG HIS A 42 -3.316 -8.845 -8.096 1.00 1.31 C ATOM 674 ND1 HIS A 42 -4.632 -9.206 -7.940 1.00 1.33 N ATOM 675 CD2 HIS A 42 -2.904 -9.196 -9.335 1.00 1.40 C ATOM 676 CE1 HIS A 42 -4.990 -9.767 -9.082 1.00 1.42 C ATOM 677 NE2 HIS A 42 -3.976 -9.784 -9.956 1.00 1.46 N ATOM 0 H HIS A 42 -1.972 -6.004 -5.102 1.00 1.12 H new ATOM 0 HA HIS A 42 -2.427 -6.266 -7.979 1.00 1.19 H new ATOM 0 HB2 HIS A 42 -1.502 -8.480 -7.066 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -2.917 -8.562 -6.036 1.00 1.23 H new ATOM 0 HD2 HIS A 42 -1.921 -9.043 -9.755 1.00 1.40 H new ATOM 0 HE1 HIS A 42 -5.975 -10.161 -9.284 1.00 1.42 H new ATOM 0 HE2 HIS A 42 -3.997 -10.162 -10.903 1.00 1.46 H new ATOM 685 N VAL A 43 -4.869 -5.998 -7.577 1.00 1.20 N ATOM 686 CA VAL A 43 -6.245 -5.603 -7.364 1.00 1.18 C ATOM 687 C VAL A 43 -7.158 -6.661 -7.963 1.00 1.24 C ATOM 688 O VAL A 43 -7.108 -6.927 -9.168 1.00 1.37 O ATOM 689 CB VAL A 43 -6.570 -4.234 -8.002 1.00 1.21 C ATOM 690 CG1 VAL A 43 -7.937 -3.744 -7.548 1.00 1.20 C ATOM 691 CG2 VAL A 43 -5.499 -3.207 -7.669 1.00 1.14 C ATOM 0 H VAL A 43 -4.611 -6.091 -8.560 1.00 1.20 H new ATOM 0 HA VAL A 43 -6.403 -5.510 -6.289 1.00 1.18 H new ATOM 0 HB VAL A 43 -6.589 -4.363 -9.084 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -8.149 -2.779 -8.008 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -8.699 -4.463 -7.848 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -7.944 -3.639 -6.463 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -5.753 -2.253 -8.131 1.00 1.14 H new ATOM 0 HG22 VAL A 43 -5.438 -3.082 -6.588 1.00 1.14 H new ATOM 0 HG23 VAL A 43 -4.536 -3.549 -8.049 1.00 1.14 H new ATOM 701 N GLU A 44 -7.972 -7.272 -7.117 1.00 1.17 N ATOM 702 CA GLU A 44 -8.893 -8.295 -7.525 1.00 1.23 C ATOM 703 C GLU A 44 -9.824 -7.776 -8.613 1.00 1.34 C ATOM 704 O GLU A 44 -10.504 -6.761 -8.431 1.00 1.35 O ATOM 705 CB GLU A 44 -9.705 -8.726 -6.312 1.00 1.16 C ATOM 706 CG GLU A 44 -8.867 -9.169 -5.117 1.00 1.11 C ATOM 707 CD GLU A 44 -8.017 -10.390 -5.404 1.00 1.19 C ATOM 708 OE1 GLU A 44 -8.460 -11.264 -6.179 1.00 1.17 O ATOM 709 OE2 GLU A 44 -6.908 -10.490 -4.840 1.00 1.54 O ATOM 0 H GLU A 44 -8.004 -7.062 -6.119 1.00 1.17 H new ATOM 0 HA GLU A 44 -8.339 -9.143 -7.929 1.00 1.23 H new ATOM 0 HB2 GLU A 44 -10.344 -7.898 -6.005 1.00 1.16 H new ATOM 0 HB3 GLU A 44 -10.363 -9.545 -6.603 1.00 1.16 H new ATOM 0 HG2 GLU A 44 -8.220 -8.347 -4.811 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -9.528 -9.384 -4.277 1.00 1.11 H new ATOM 716 N ASP A 45 -9.841 -8.461 -9.748 1.00 1.44 N ATOM 717 CA ASP A 45 -10.699 -8.068 -10.852 1.00 1.55 C ATOM 718 C ASP A 45 -12.152 -8.150 -10.422 1.00 1.55 C ATOM 719 O ASP A 45 -12.633 -9.212 -10.024 1.00 1.60 O ATOM 720 CB ASP A 45 -10.453 -8.943 -12.081 1.00 1.69 C ATOM 721 CG ASP A 45 -9.499 -8.298 -13.066 1.00 1.81 C ATOM 722 OD1 ASP A 45 -9.742 -7.139 -13.465 1.00 1.94 O ATOM 723 OD2 ASP A 45 -8.501 -8.942 -13.448 1.00 1.92 O ATOM 0 H ASP A 45 -9.272 -9.288 -9.926 1.00 1.44 H new ATOM 0 HA ASP A 45 -10.463 -7.040 -11.126 1.00 1.55 H new ATOM 0 HB2 ASP A 45 -10.049 -9.905 -11.764 1.00 1.69 H new ATOM 0 HB3 ASP A 45 -11.403 -9.144 -12.577 1.00 1.69 H new ATOM 728 N GLY A 46 -12.837 -7.023 -10.472 1.00 1.54 N ATOM 729 CA GLY A 46 -14.221 -6.985 -10.060 1.00 1.56 C ATOM 730 C GLY A 46 -14.350 -6.795 -8.565 1.00 1.46 C ATOM 731 O GLY A 46 -15.414 -7.027 -7.987 1.00 1.49 O ATOM 0 H GLY A 46 -12.459 -6.131 -10.791 1.00 1.54 H new ATOM 0 HA2 GLY A 46 -14.733 -6.173 -10.576 1.00 1.56 H new ATOM 0 HA3 GLY A 46 -14.715 -7.911 -10.354 1.00 1.56 H new ATOM 735 N GLY A 47 -13.255 -6.393 -7.931 1.00 1.37 N ATOM 736 CA GLY A 47 -13.262 -6.173 -6.504 1.00 1.28 C ATOM 737 C GLY A 47 -13.601 -4.739 -6.160 1.00 1.27 C ATOM 738 O GLY A 47 -13.612 -3.882 -7.042 1.00 1.33 O ATOM 0 H GLY A 47 -12.360 -6.216 -8.386 1.00 1.37 H new ATOM 0 HA2 GLY A 47 -13.986 -6.840 -6.037 1.00 1.28 H new ATOM 0 HA3 GLY A 47 -12.285 -6.425 -6.092 1.00 1.28 H new ATOM 742 N PRO A 48 -13.846 -4.442 -4.878 1.00 1.20 N ATOM 743 CA PRO A 48 -14.203 -3.095 -4.414 1.00 1.20 C ATOM 744 C PRO A 48 -13.139 -2.080 -4.750 1.00 1.16 C ATOM 745 O PRO A 48 -13.427 -0.978 -5.214 1.00 1.21 O ATOM 746 CB PRO A 48 -14.278 -3.280 -2.902 1.00 1.13 C ATOM 747 CG PRO A 48 -14.610 -4.696 -2.733 1.00 1.13 C ATOM 748 CD PRO A 48 -13.782 -5.387 -3.754 1.00 1.13 C ATOM 0 HA PRO A 48 -15.118 -2.723 -4.875 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -13.331 -3.032 -2.422 1.00 1.13 H new ATOM 0 HB3 PRO A 48 -15.038 -2.636 -2.459 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -14.374 -5.043 -1.727 1.00 1.13 H new ATOM 0 HG3 PRO A 48 -15.673 -4.878 -2.892 1.00 1.13 H new ATOM 0 HD2 PRO A 48 -12.760 -5.548 -3.412 1.00 1.13 H new ATOM 0 HD3 PRO A 48 -14.187 -6.364 -4.017 1.00 1.13 H new ATOM 756 N ALA A 49 -11.906 -2.465 -4.497 1.00 1.09 N ATOM 757 CA ALA A 49 -10.763 -1.603 -4.770 1.00 1.06 C ATOM 758 C ALA A 49 -10.695 -1.234 -6.244 1.00 1.16 C ATOM 759 O ALA A 49 -10.373 -0.099 -6.590 1.00 1.19 O ATOM 760 CB ALA A 49 -9.463 -2.260 -4.319 1.00 0.97 C ATOM 0 H ALA A 49 -11.663 -3.373 -4.101 1.00 1.09 H new ATOM 0 HA ALA A 49 -10.896 -0.685 -4.198 1.00 1.06 H new ATOM 0 HB1 ALA A 49 -8.626 -1.596 -4.534 1.00 0.97 H new ATOM 0 HB2 ALA A 49 -9.506 -2.454 -3.247 1.00 0.97 H new ATOM 0 HB3 ALA A 49 -9.326 -3.201 -4.853 1.00 0.97 H new ATOM 766 N SER A 50 -11.026 -2.185 -7.104 1.00 1.23 N ATOM 767 CA SER A 50 -11.018 -1.947 -8.539 1.00 1.34 C ATOM 768 C SER A 50 -12.088 -0.923 -8.880 1.00 1.40 C ATOM 769 O SER A 50 -11.897 -0.044 -9.721 1.00 1.46 O ATOM 770 CB SER A 50 -11.296 -3.249 -9.285 1.00 1.41 C ATOM 771 OG SER A 50 -10.603 -3.293 -10.520 1.00 1.45 O ATOM 0 H SER A 50 -11.303 -3.128 -6.833 1.00 1.23 H new ATOM 0 HA SER A 50 -10.040 -1.571 -8.839 1.00 1.34 H new ATOM 0 HB2 SER A 50 -10.997 -4.096 -8.667 1.00 1.41 H new ATOM 0 HB3 SER A 50 -12.367 -3.347 -9.463 1.00 1.41 H new ATOM 0 HG SER A 50 -10.799 -4.139 -10.975 1.00 1.45 H new ATOM 777 N GLU A 51 -13.204 -1.030 -8.176 1.00 1.39 N ATOM 778 CA GLU A 51 -14.332 -0.134 -8.383 1.00 1.46 C ATOM 779 C GLU A 51 -14.032 1.242 -7.808 1.00 1.45 C ATOM 780 O GLU A 51 -14.556 2.258 -8.269 1.00 1.55 O ATOM 781 CB GLU A 51 -15.590 -0.714 -7.737 1.00 1.47 C ATOM 782 CG GLU A 51 -15.891 -2.136 -8.173 1.00 1.50 C ATOM 783 CD GLU A 51 -17.254 -2.610 -7.718 1.00 1.58 C ATOM 784 OE1 GLU A 51 -17.471 -2.735 -6.495 1.00 1.55 O ATOM 785 OE2 GLU A 51 -18.115 -2.864 -8.584 1.00 1.84 O ATOM 0 H GLU A 51 -13.353 -1.733 -7.452 1.00 1.39 H new ATOM 0 HA GLU A 51 -14.502 -0.031 -9.455 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -15.477 -0.691 -6.653 1.00 1.47 H new ATOM 0 HB3 GLU A 51 -16.441 -0.079 -7.982 1.00 1.47 H new ATOM 0 HG2 GLU A 51 -15.833 -2.198 -9.260 1.00 1.50 H new ATOM 0 HG3 GLU A 51 -15.127 -2.803 -7.774 1.00 1.50 H new ATOM 792 N ALA A 52 -13.184 1.260 -6.798 1.00 1.33 N ATOM 793 CA ALA A 52 -12.787 2.491 -6.146 1.00 1.31 C ATOM 794 C ALA A 52 -11.749 3.232 -6.981 1.00 1.34 C ATOM 795 O ALA A 52 -11.613 4.454 -6.885 1.00 1.36 O ATOM 796 CB ALA A 52 -12.251 2.182 -4.764 1.00 1.20 C ATOM 0 H ALA A 52 -12.752 0.423 -6.407 1.00 1.33 H new ATOM 0 HA ALA A 52 -13.657 3.140 -6.049 1.00 1.31 H new ATOM 0 HB1 ALA A 52 -11.952 3.109 -4.274 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -13.026 1.693 -4.174 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -11.388 1.522 -4.848 1.00 1.20 H new ATOM 802 N GLY A 53 -11.024 2.487 -7.806 1.00 1.35 N ATOM 803 CA GLY A 53 -10.022 3.091 -8.653 1.00 1.39 C ATOM 804 C GLY A 53 -8.601 2.755 -8.254 1.00 1.31 C ATOM 805 O GLY A 53 -7.655 3.309 -8.812 1.00 1.33 O ATOM 0 H GLY A 53 -11.114 1.475 -7.901 1.00 1.35 H new ATOM 0 HA2 GLY A 53 -10.187 2.769 -9.681 1.00 1.39 H new ATOM 0 HA3 GLY A 53 -10.148 4.173 -8.634 1.00 1.39 H new ATOM 809 N LEU A 54 -8.439 1.859 -7.289 1.00 1.22 N ATOM 810 CA LEU A 54 -7.110 1.468 -6.838 1.00 1.14 C ATOM 811 C LEU A 54 -6.406 0.690 -7.934 1.00 1.21 C ATOM 812 O LEU A 54 -6.979 -0.221 -8.535 1.00 1.26 O ATOM 813 CB LEU A 54 -7.194 0.611 -5.577 1.00 1.04 C ATOM 814 CG LEU A 54 -6.271 1.013 -4.420 1.00 0.94 C ATOM 815 CD1 LEU A 54 -5.984 -0.188 -3.533 1.00 0.85 C ATOM 816 CD2 LEU A 54 -4.972 1.611 -4.935 1.00 0.96 C ATOM 0 H LEU A 54 -9.206 1.392 -6.806 1.00 1.22 H new ATOM 0 HA LEU A 54 -6.546 2.371 -6.607 1.00 1.14 H new ATOM 0 HB2 LEU A 54 -8.223 0.632 -5.217 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -6.972 -0.421 -5.849 1.00 1.04 H new ATOM 0 HG LEU A 54 -6.782 1.775 -3.831 1.00 0.94 H new ATOM 0 HD11 LEU A 54 -5.328 0.112 -2.716 1.00 0.85 H new ATOM 0 HD12 LEU A 54 -6.919 -0.571 -3.125 1.00 0.85 H new ATOM 0 HD13 LEU A 54 -5.499 -0.967 -4.121 1.00 0.85 H new ATOM 0 HD21 LEU A 54 -4.339 1.886 -4.092 1.00 0.96 H new ATOM 0 HD22 LEU A 54 -4.454 0.878 -5.554 1.00 0.96 H new ATOM 0 HD23 LEU A 54 -5.190 2.498 -5.529 1.00 0.96 H new ATOM 828 N ARG A 55 -5.172 1.062 -8.191 1.00 1.21 N ATOM 829 CA ARG A 55 -4.377 0.416 -9.214 1.00 1.28 C ATOM 830 C ARG A 55 -3.151 -0.234 -8.602 1.00 1.23 C ATOM 831 O ARG A 55 -2.419 0.388 -7.831 1.00 1.18 O ATOM 832 CB ARG A 55 -3.978 1.434 -10.277 1.00 1.36 C ATOM 833 CG ARG A 55 -5.145 2.290 -10.728 1.00 1.41 C ATOM 834 CD ARG A 55 -6.143 1.487 -11.553 1.00 1.51 C ATOM 835 NE ARG A 55 -7.396 2.215 -11.773 1.00 1.57 N ATOM 836 CZ ARG A 55 -8.600 1.639 -11.820 1.00 1.58 C ATOM 837 NH1 ARG A 55 -8.726 0.325 -11.666 1.00 1.55 N ATOM 838 NH2 ARG A 55 -9.686 2.382 -12.013 1.00 1.68 N ATOM 0 H ARG A 55 -4.692 1.817 -7.700 1.00 1.21 H new ATOM 0 HA ARG A 55 -4.972 -0.366 -9.686 1.00 1.28 H new ATOM 0 HB2 ARG A 55 -3.191 2.077 -9.883 1.00 1.36 H new ATOM 0 HB3 ARG A 55 -3.561 0.911 -11.138 1.00 1.36 H new ATOM 0 HG2 ARG A 55 -5.647 2.710 -9.857 1.00 1.41 H new ATOM 0 HG3 ARG A 55 -4.775 3.129 -11.318 1.00 1.41 H new ATOM 0 HD2 ARG A 55 -5.697 1.237 -12.516 1.00 1.51 H new ATOM 0 HD3 ARG A 55 -6.356 0.546 -11.046 1.00 1.51 H new ATOM 0 HE ARG A 55 -7.345 3.226 -11.898 1.00 1.57 H new ATOM 0 HH11 ARG A 55 -7.899 -0.252 -11.510 1.00 1.55 H new ATOM 0 HH12 ARG A 55 -9.649 -0.107 -11.703 1.00 1.55 H new ATOM 0 HH21 ARG A 55 -9.600 3.392 -12.125 1.00 1.68 H new ATOM 0 HH22 ARG A 55 -10.605 1.942 -12.049 1.00 1.68 H new ATOM 852 N GLN A 56 -2.941 -1.493 -8.935 1.00 1.29 N ATOM 853 CA GLN A 56 -1.815 -2.241 -8.408 1.00 1.27 C ATOM 854 C GLN A 56 -0.510 -1.775 -9.041 1.00 1.33 C ATOM 855 O GLN A 56 -0.365 -1.772 -10.264 1.00 1.41 O ATOM 856 CB GLN A 56 -2.016 -3.742 -8.614 1.00 1.34 C ATOM 857 CG GLN A 56 -2.640 -4.066 -9.936 1.00 1.40 C ATOM 858 CD GLN A 56 -2.627 -5.536 -10.279 1.00 1.53 C ATOM 859 OE1 GLN A 56 -3.585 -6.254 -10.004 1.00 1.56 O ATOM 860 NE2 GLN A 56 -1.548 -5.993 -10.891 1.00 1.78 N ATOM 0 H GLN A 56 -3.538 -2.022 -9.571 1.00 1.29 H new ATOM 0 HA GLN A 56 -1.755 -2.052 -7.336 1.00 1.27 H new ATOM 0 HB2 GLN A 56 -1.053 -4.247 -8.538 1.00 1.34 H new ATOM 0 HB3 GLN A 56 -2.645 -4.133 -7.814 1.00 1.34 H new ATOM 0 HG2 GLN A 56 -3.671 -3.713 -9.935 1.00 1.40 H new ATOM 0 HG3 GLN A 56 -2.116 -3.517 -10.718 1.00 1.40 H new ATOM 0 HE21 GLN A 56 -0.775 -5.362 -11.101 1.00 1.78 H new ATOM 0 HE22 GLN A 56 -1.489 -6.977 -11.154 1.00 1.78 H new ATOM 869 N GLY A 57 0.433 -1.391 -8.194 1.00 1.30 N ATOM 870 CA GLY A 57 1.720 -0.919 -8.662 1.00 1.37 C ATOM 871 C GLY A 57 1.928 0.569 -8.440 1.00 1.33 C ATOM 872 O GLY A 57 2.892 1.143 -8.946 1.00 1.39 O ATOM 0 H GLY A 57 0.328 -1.398 -7.179 1.00 1.30 H new ATOM 0 HA2 GLY A 57 2.510 -1.470 -8.151 1.00 1.37 H new ATOM 0 HA3 GLY A 57 1.815 -1.138 -9.726 1.00 1.37 H new ATOM 876 N ASP A 58 1.016 1.201 -7.708 1.00 1.24 N ATOM 877 CA ASP A 58 1.138 2.629 -7.404 1.00 1.21 C ATOM 878 C ASP A 58 1.885 2.802 -6.098 1.00 1.13 C ATOM 879 O ASP A 58 2.712 1.975 -5.726 1.00 1.13 O ATOM 880 CB ASP A 58 -0.231 3.303 -7.267 1.00 1.16 C ATOM 881 CG ASP A 58 -1.030 3.317 -8.558 1.00 1.26 C ATOM 882 OD1 ASP A 58 -0.432 3.119 -9.638 1.00 1.43 O ATOM 883 OD2 ASP A 58 -2.252 3.574 -8.502 1.00 1.29 O ATOM 0 H ASP A 58 0.188 0.753 -7.315 1.00 1.24 H new ATOM 0 HA ASP A 58 1.675 3.096 -8.230 1.00 1.21 H new ATOM 0 HB2 ASP A 58 -0.806 2.787 -6.498 1.00 1.16 H new ATOM 0 HB3 ASP A 58 -0.090 4.328 -6.925 1.00 1.16 H new ATOM 888 N LEU A 59 1.581 3.875 -5.396 1.00 1.06 N ATOM 889 CA LEU A 59 2.189 4.147 -4.126 1.00 0.99 C ATOM 890 C LEU A 59 1.158 4.724 -3.185 1.00 0.89 C ATOM 891 O LEU A 59 0.601 5.791 -3.440 1.00 0.90 O ATOM 892 CB LEU A 59 3.350 5.128 -4.258 1.00 1.05 C ATOM 893 CG LEU A 59 4.727 4.493 -4.396 1.00 1.13 C ATOM 894 CD1 LEU A 59 5.795 5.569 -4.480 1.00 1.19 C ATOM 895 CD2 LEU A 59 5.008 3.552 -3.231 1.00 1.06 C ATOM 0 H LEU A 59 0.905 4.577 -5.697 1.00 1.06 H new ATOM 0 HA LEU A 59 2.578 3.207 -3.733 1.00 0.99 H new ATOM 0 HB2 LEU A 59 3.172 5.761 -5.127 1.00 1.05 H new ATOM 0 HB3 LEU A 59 3.355 5.779 -3.384 1.00 1.05 H new ATOM 0 HG LEU A 59 4.746 3.909 -5.316 1.00 1.13 H new ATOM 0 HD11 LEU A 59 6.775 5.102 -4.578 1.00 1.19 H new ATOM 0 HD12 LEU A 59 5.606 6.202 -5.347 1.00 1.19 H new ATOM 0 HD13 LEU A 59 5.772 6.176 -3.575 1.00 1.19 H new ATOM 0 HD21 LEU A 59 5.997 3.110 -3.351 1.00 1.06 H new ATOM 0 HD22 LEU A 59 4.971 4.110 -2.295 1.00 1.06 H new ATOM 0 HD23 LEU A 59 4.257 2.762 -3.212 1.00 1.06 H new ATOM 907 N ILE A 60 0.861 3.997 -2.137 1.00 0.80 N ATOM 908 CA ILE A 60 -0.081 4.471 -1.151 1.00 0.71 C ATOM 909 C ILE A 60 0.629 5.456 -0.224 1.00 0.68 C ATOM 910 O ILE A 60 1.492 5.067 0.562 1.00 0.66 O ATOM 911 CB ILE A 60 -0.680 3.313 -0.330 1.00 0.62 C ATOM 912 CG1 ILE A 60 -1.492 2.382 -1.237 1.00 0.67 C ATOM 913 CG2 ILE A 60 -1.538 3.856 0.802 1.00 0.54 C ATOM 914 CD1 ILE A 60 -1.754 1.021 -0.633 1.00 0.63 C ATOM 0 H ILE A 60 1.256 3.077 -1.944 1.00 0.80 H new ATOM 0 HA ILE A 60 -0.905 4.963 -1.668 1.00 0.71 H new ATOM 0 HB ILE A 60 0.133 2.735 0.109 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -2.446 2.856 -1.469 1.00 0.67 H new ATOM 0 HG13 ILE A 60 -0.961 2.255 -2.181 1.00 0.67 H new ATOM 0 HG21 ILE A 60 -1.954 3.026 1.373 1.00 0.54 H new ATOM 0 HG22 ILE A 60 -0.926 4.476 1.457 1.00 0.54 H new ATOM 0 HG23 ILE A 60 -2.349 4.455 0.388 1.00 0.54 H new ATOM 0 HD11 ILE A 60 -2.333 0.418 -1.332 1.00 0.63 H new ATOM 0 HD12 ILE A 60 -0.805 0.526 -0.427 1.00 0.63 H new ATOM 0 HD13 ILE A 60 -2.313 1.137 0.296 1.00 0.63 H new ATOM 926 N THR A 61 0.281 6.728 -0.335 1.00 0.70 N ATOM 927 CA THR A 61 0.917 7.753 0.477 1.00 0.70 C ATOM 928 C THR A 61 0.198 7.945 1.815 1.00 0.61 C ATOM 929 O THR A 61 0.842 8.194 2.835 1.00 0.58 O ATOM 930 CB THR A 61 1.026 9.098 -0.285 1.00 0.80 C ATOM 931 OG1 THR A 61 1.538 10.124 0.574 1.00 0.79 O ATOM 932 CG2 THR A 61 -0.318 9.535 -0.854 1.00 0.86 C ATOM 0 H THR A 61 -0.434 7.074 -0.975 1.00 0.70 H new ATOM 0 HA THR A 61 1.928 7.405 0.690 1.00 0.70 H new ATOM 0 HB THR A 61 1.715 8.942 -1.115 1.00 0.80 H new ATOM 0 HG1 THR A 61 1.601 10.966 0.076 1.00 0.79 H new ATOM 0 HG21 THR A 61 -0.200 10.482 -1.381 1.00 0.86 H new ATOM 0 HG22 THR A 61 -0.683 8.777 -1.547 1.00 0.86 H new ATOM 0 HG23 THR A 61 -1.034 9.659 -0.042 1.00 0.86 H new ATOM 940 N HIS A 62 -1.123 7.816 1.827 1.00 0.60 N ATOM 941 CA HIS A 62 -1.882 7.982 3.066 1.00 0.57 C ATOM 942 C HIS A 62 -3.053 7.020 3.103 1.00 0.55 C ATOM 943 O HIS A 62 -3.635 6.691 2.070 1.00 0.59 O ATOM 944 CB HIS A 62 -2.414 9.416 3.236 1.00 0.66 C ATOM 945 CG HIS A 62 -1.363 10.489 3.247 1.00 0.75 C ATOM 946 ND1 HIS A 62 -0.977 11.133 2.095 1.00 0.81 N ATOM 947 CD2 HIS A 62 -0.675 11.006 4.293 1.00 0.86 C ATOM 948 CE1 HIS A 62 -0.073 12.024 2.464 1.00 0.91 C ATOM 949 NE2 HIS A 62 0.143 11.982 3.784 1.00 0.95 N ATOM 0 H HIS A 62 -1.688 7.600 1.006 1.00 0.60 H new ATOM 0 HA HIS A 62 -1.194 7.771 3.884 1.00 0.57 H new ATOM 0 HB2 HIS A 62 -3.116 9.625 2.428 1.00 0.66 H new ATOM 0 HB3 HIS A 62 -2.976 9.470 4.168 1.00 0.66 H new ATOM 0 HD2 HIS A 62 -0.755 10.707 5.328 1.00 0.86 H new ATOM 0 HE1 HIS A 62 0.428 12.700 1.786 1.00 0.91 H new ATOM 0 HE2 HIS A 62 0.793 12.565 4.311 1.00 0.95 H new ATOM 957 N VAL A 63 -3.390 6.569 4.296 1.00 0.51 N ATOM 958 CA VAL A 63 -4.509 5.666 4.489 1.00 0.50 C ATOM 959 C VAL A 63 -5.481 6.290 5.469 1.00 0.58 C ATOM 960 O VAL A 63 -5.129 6.532 6.620 1.00 0.59 O ATOM 961 CB VAL A 63 -4.061 4.291 5.026 1.00 0.42 C ATOM 962 CG1 VAL A 63 -5.269 3.427 5.357 1.00 0.44 C ATOM 963 CG2 VAL A 63 -3.164 3.586 4.023 1.00 0.38 C ATOM 0 H VAL A 63 -2.899 6.816 5.155 1.00 0.51 H new ATOM 0 HA VAL A 63 -4.981 5.505 3.520 1.00 0.50 H new ATOM 0 HB VAL A 63 -3.490 4.454 5.940 1.00 0.42 H new ATOM 0 HG11 VAL A 63 -4.933 2.461 5.734 1.00 0.44 H new ATOM 0 HG12 VAL A 63 -5.874 3.923 6.116 1.00 0.44 H new ATOM 0 HG13 VAL A 63 -5.867 3.277 4.458 1.00 0.44 H new ATOM 0 HG21 VAL A 63 -2.861 2.619 4.423 1.00 0.38 H new ATOM 0 HG22 VAL A 63 -3.707 3.438 3.090 1.00 0.38 H new ATOM 0 HG23 VAL A 63 -2.279 4.195 3.835 1.00 0.38 H new ATOM 973 N ASN A 64 -6.687 6.582 4.996 1.00 0.67 N ATOM 974 CA ASN A 64 -7.725 7.195 5.823 1.00 0.76 C ATOM 975 C ASN A 64 -7.271 8.567 6.312 1.00 0.81 C ATOM 976 O ASN A 64 -7.698 9.045 7.367 1.00 0.90 O ATOM 977 CB ASN A 64 -8.089 6.287 7.006 1.00 0.77 C ATOM 978 CG ASN A 64 -8.835 5.048 6.569 1.00 0.75 C ATOM 979 OD1 ASN A 64 -9.706 5.103 5.698 1.00 0.80 O ATOM 980 ND2 ASN A 64 -8.489 3.916 7.159 1.00 0.70 N ATOM 0 H ASN A 64 -6.974 6.403 4.034 1.00 0.67 H new ATOM 0 HA ASN A 64 -8.619 7.324 5.213 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -7.179 5.995 7.530 1.00 0.77 H new ATOM 0 HB3 ASN A 64 -8.700 6.845 7.715 1.00 0.77 H new ATOM 0 HD21 ASN A 64 -8.948 3.044 6.898 1.00 0.70 H new ATOM 0 HD22 ASN A 64 -7.763 3.915 7.875 1.00 0.70 H new ATOM 987 N GLY A 65 -6.403 9.194 5.522 1.00 0.78 N ATOM 988 CA GLY A 65 -5.888 10.506 5.857 1.00 0.83 C ATOM 989 C GLY A 65 -4.790 10.457 6.900 1.00 0.81 C ATOM 990 O GLY A 65 -4.515 11.458 7.563 1.00 0.90 O ATOM 0 H GLY A 65 -6.046 8.810 4.647 1.00 0.78 H new ATOM 0 HA2 GLY A 65 -5.505 10.982 4.955 1.00 0.83 H new ATOM 0 HA3 GLY A 65 -6.704 11.129 6.224 1.00 0.83 H new ATOM 994 N GLU A 66 -4.157 9.300 7.053 1.00 0.71 N ATOM 995 CA GLU A 66 -3.093 9.146 8.029 1.00 0.71 C ATOM 996 C GLU A 66 -1.758 8.918 7.333 1.00 0.66 C ATOM 997 O GLU A 66 -1.692 8.179 6.347 1.00 0.58 O ATOM 998 CB GLU A 66 -3.392 7.963 8.941 1.00 0.70 C ATOM 999 CG GLU A 66 -4.812 7.946 9.474 1.00 0.77 C ATOM 1000 CD GLU A 66 -5.014 8.855 10.671 1.00 0.95 C ATOM 1001 OE1 GLU A 66 -4.060 9.558 11.063 1.00 1.30 O ATOM 1002 OE2 GLU A 66 -6.130 8.862 11.233 1.00 1.36 O ATOM 0 H GLU A 66 -4.363 8.459 6.514 1.00 0.71 H new ATOM 0 HA GLU A 66 -3.035 10.060 8.620 1.00 0.71 H new ATOM 0 HB2 GLU A 66 -3.208 7.038 8.394 1.00 0.70 H new ATOM 0 HB3 GLU A 66 -2.698 7.979 9.782 1.00 0.70 H new ATOM 0 HG2 GLU A 66 -5.495 8.246 8.679 1.00 0.77 H new ATOM 0 HG3 GLU A 66 -5.076 6.926 9.753 1.00 0.77 H new ATOM 1009 N PRO A 67 -0.679 9.551 7.827 1.00 0.73 N ATOM 1010 CA PRO A 67 0.655 9.391 7.257 1.00 0.72 C ATOM 1011 C PRO A 67 1.199 7.994 7.509 1.00 0.64 C ATOM 1012 O PRO A 67 1.419 7.598 8.654 1.00 0.72 O ATOM 1013 CB PRO A 67 1.511 10.435 7.989 1.00 0.84 C ATOM 1014 CG PRO A 67 0.549 11.304 8.727 1.00 0.90 C ATOM 1015 CD PRO A 67 -0.670 10.471 8.973 1.00 0.84 C ATOM 0 HA PRO A 67 0.654 9.527 6.175 1.00 0.72 H new ATOM 0 HB2 PRO A 67 2.211 9.956 8.674 1.00 0.84 H new ATOM 0 HB3 PRO A 67 2.104 11.018 7.284 1.00 0.84 H new ATOM 0 HG2 PRO A 67 0.980 11.649 9.667 1.00 0.90 H new ATOM 0 HG3 PRO A 67 0.302 12.192 8.145 1.00 0.90 H new ATOM 0 HD2 PRO A 67 -0.608 9.935 9.920 1.00 0.84 H new ATOM 0 HD3 PRO A 67 -1.574 11.079 9.009 1.00 0.84 H new ATOM 1023 N VAL A 68 1.403 7.246 6.442 1.00 0.53 N ATOM 1024 CA VAL A 68 1.912 5.889 6.557 1.00 0.48 C ATOM 1025 C VAL A 68 3.405 5.846 6.279 1.00 0.56 C ATOM 1026 O VAL A 68 4.054 4.812 6.457 1.00 0.60 O ATOM 1027 CB VAL A 68 1.185 4.923 5.604 1.00 0.42 C ATOM 1028 CG1 VAL A 68 -0.308 4.916 5.892 1.00 0.40 C ATOM 1029 CG2 VAL A 68 1.452 5.278 4.148 1.00 0.52 C ATOM 0 H VAL A 68 1.225 7.553 5.486 1.00 0.53 H new ATOM 0 HA VAL A 68 1.726 5.566 7.581 1.00 0.48 H new ATOM 0 HB VAL A 68 1.576 3.921 5.777 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -0.807 4.228 5.210 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -0.479 4.595 6.920 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -0.710 5.920 5.754 1.00 0.40 H new ATOM 0 HG21 VAL A 68 0.925 4.578 3.500 1.00 0.52 H new ATOM 0 HG22 VAL A 68 1.100 6.291 3.950 1.00 0.52 H new ATOM 0 HG23 VAL A 68 2.522 5.220 3.950 1.00 0.52 H new ATOM 1039 N HIS A 69 3.945 6.978 5.854 1.00 0.62 N ATOM 1040 CA HIS A 69 5.361 7.087 5.546 1.00 0.73 C ATOM 1041 C HIS A 69 6.181 7.052 6.831 1.00 0.77 C ATOM 1042 O HIS A 69 6.458 8.091 7.437 1.00 0.84 O ATOM 1043 CB HIS A 69 5.629 8.382 4.776 1.00 0.82 C ATOM 1044 CG HIS A 69 6.919 8.393 4.016 1.00 0.94 C ATOM 1045 ND1 HIS A 69 7.595 9.565 3.779 1.00 1.39 N ATOM 1046 CD2 HIS A 69 7.599 7.366 3.450 1.00 1.09 C ATOM 1047 CE1 HIS A 69 8.664 9.229 3.078 1.00 1.37 C ATOM 1048 NE2 HIS A 69 8.709 7.908 2.854 1.00 1.17 N ATOM 0 H HIS A 69 3.418 7.840 5.714 1.00 0.62 H new ATOM 0 HA HIS A 69 5.656 6.242 4.923 1.00 0.73 H new ATOM 0 HB2 HIS A 69 4.809 8.552 4.079 1.00 0.82 H new ATOM 0 HB3 HIS A 69 5.628 9.215 5.479 1.00 0.82 H new ATOM 0 HD2 HIS A 69 7.321 6.323 3.465 1.00 1.09 H new ATOM 0 HE1 HIS A 69 9.408 9.930 2.730 1.00 1.37 H new ATOM 0 HE2 HIS A 69 9.430 7.403 2.339 1.00 1.17 H new ATOM 1056 N GLY A 70 6.540 5.849 7.256 1.00 0.80 N ATOM 1057 CA GLY A 70 7.324 5.694 8.460 1.00 0.89 C ATOM 1058 C GLY A 70 6.926 4.478 9.269 1.00 0.86 C ATOM 1059 O GLY A 70 7.734 3.953 10.039 1.00 0.98 O ATOM 0 H GLY A 70 6.300 4.976 6.785 1.00 0.80 H new ATOM 0 HA2 GLY A 70 8.378 5.618 8.194 1.00 0.89 H new ATOM 0 HA3 GLY A 70 7.214 6.586 9.076 1.00 0.89 H new ATOM 1063 N LEU A 71 5.686 4.016 9.109 1.00 0.74 N ATOM 1064 CA LEU A 71 5.221 2.852 9.856 1.00 0.72 C ATOM 1065 C LEU A 71 5.761 1.562 9.270 1.00 0.73 C ATOM 1066 O LEU A 71 6.654 1.557 8.419 1.00 0.82 O ATOM 1067 CB LEU A 71 3.700 2.739 9.844 1.00 0.67 C ATOM 1068 CG LEU A 71 2.917 4.025 10.010 1.00 0.57 C ATOM 1069 CD1 LEU A 71 1.462 3.782 9.669 1.00 0.47 C ATOM 1070 CD2 LEU A 71 3.062 4.577 11.422 1.00 0.83 C ATOM 0 H LEU A 71 4.996 4.424 8.478 1.00 0.74 H new ATOM 0 HA LEU A 71 5.583 2.995 10.874 1.00 0.72 H new ATOM 0 HB2 LEU A 71 3.401 2.279 8.902 1.00 0.67 H new ATOM 0 HB3 LEU A 71 3.404 2.056 10.640 1.00 0.67 H new ATOM 0 HG LEU A 71 3.320 4.772 9.326 1.00 0.57 H new ATOM 0 HD11 LEU A 71 0.901 4.708 9.789 1.00 0.47 H new ATOM 0 HD12 LEU A 71 1.382 3.441 8.637 1.00 0.47 H new ATOM 0 HD13 LEU A 71 1.054 3.022 10.335 1.00 0.47 H new ATOM 0 HD21 LEU A 71 2.490 5.500 11.512 1.00 0.83 H new ATOM 0 HD22 LEU A 71 2.687 3.846 12.139 1.00 0.83 H new ATOM 0 HD23 LEU A 71 4.113 4.780 11.627 1.00 0.83 H new ATOM 1082 N VAL A 72 5.188 0.474 9.743 1.00 0.68 N ATOM 1083 CA VAL A 72 5.529 -0.853 9.289 1.00 0.68 C ATOM 1084 C VAL A 72 4.435 -1.341 8.351 1.00 0.59 C ATOM 1085 O VAL A 72 3.477 -0.614 8.087 1.00 0.52 O ATOM 1086 CB VAL A 72 5.648 -1.828 10.472 1.00 0.72 C ATOM 1087 CG1 VAL A 72 6.717 -1.365 11.449 1.00 0.82 C ATOM 1088 CG2 VAL A 72 4.299 -1.972 11.168 1.00 0.69 C ATOM 0 H VAL A 72 4.464 0.490 10.462 1.00 0.68 H new ATOM 0 HA VAL A 72 6.491 -0.814 8.777 1.00 0.68 H new ATOM 0 HB VAL A 72 5.948 -2.804 10.091 1.00 0.72 H new ATOM 0 HG11 VAL A 72 6.783 -2.070 12.277 1.00 0.82 H new ATOM 0 HG12 VAL A 72 7.679 -1.314 10.939 1.00 0.82 H new ATOM 0 HG13 VAL A 72 6.457 -0.378 11.832 1.00 0.82 H new ATOM 0 HG21 VAL A 72 4.393 -2.664 12.004 1.00 0.69 H new ATOM 0 HG22 VAL A 72 3.974 -0.999 11.537 1.00 0.69 H new ATOM 0 HG23 VAL A 72 3.564 -2.355 10.461 1.00 0.69 H new ATOM 1098 N HIS A 73 4.554 -2.566 7.876 1.00 0.60 N ATOM 1099 CA HIS A 73 3.565 -3.125 6.970 1.00 0.53 C ATOM 1100 C HIS A 73 2.211 -3.306 7.660 1.00 0.44 C ATOM 1101 O HIS A 73 1.175 -2.944 7.110 1.00 0.36 O ATOM 1102 CB HIS A 73 4.053 -4.462 6.421 1.00 0.60 C ATOM 1103 CG HIS A 73 3.133 -5.066 5.406 1.00 0.58 C ATOM 1104 ND1 HIS A 73 2.747 -4.436 4.242 1.00 0.58 N ATOM 1105 CD2 HIS A 73 2.525 -6.274 5.396 1.00 0.58 C ATOM 1106 CE1 HIS A 73 1.936 -5.264 3.578 1.00 0.58 C ATOM 1107 NE2 HIS A 73 1.769 -6.396 4.235 1.00 0.58 N ATOM 0 H HIS A 73 5.325 -3.194 8.102 1.00 0.60 H new ATOM 0 HA HIS A 73 3.432 -2.423 6.147 1.00 0.53 H new ATOM 0 HB2 HIS A 73 5.036 -4.323 5.971 1.00 0.60 H new ATOM 0 HB3 HIS A 73 4.177 -5.161 7.248 1.00 0.60 H new ATOM 0 HD1 HIS A 73 3.030 -3.503 3.941 1.00 0.58 H new ATOM 0 HD2 HIS A 73 2.613 -7.025 6.167 1.00 0.58 H new ATOM 0 HE1 HIS A 73 1.477 -5.037 2.627 1.00 0.58 H new ATOM 1115 N THR A 74 2.223 -3.853 8.864 1.00 0.48 N ATOM 1116 CA THR A 74 0.992 -4.097 9.603 1.00 0.44 C ATOM 1117 C THR A 74 0.312 -2.807 10.056 1.00 0.41 C ATOM 1118 O THR A 74 -0.912 -2.746 10.097 1.00 0.39 O ATOM 1119 CB THR A 74 1.259 -4.989 10.823 1.00 0.52 C ATOM 1120 OG1 THR A 74 2.512 -4.629 11.417 1.00 0.57 O ATOM 1121 CG2 THR A 74 1.288 -6.451 10.418 1.00 0.57 C ATOM 0 H THR A 74 3.072 -4.137 9.353 1.00 0.48 H new ATOM 0 HA THR A 74 0.316 -4.605 8.915 1.00 0.44 H new ATOM 0 HB THR A 74 0.456 -4.843 11.545 1.00 0.52 H new ATOM 0 HG1 THR A 74 2.680 -5.198 12.197 1.00 0.57 H new ATOM 0 HG21 THR A 74 1.479 -7.068 11.296 1.00 0.57 H new ATOM 0 HG22 THR A 74 0.328 -6.727 9.982 1.00 0.57 H new ATOM 0 HG23 THR A 74 2.079 -6.610 9.685 1.00 0.57 H new ATOM 1129 N GLU A 75 1.094 -1.772 10.369 1.00 0.45 N ATOM 1130 CA GLU A 75 0.527 -0.513 10.825 1.00 0.46 C ATOM 1131 C GLU A 75 -0.444 0.050 9.809 1.00 0.37 C ATOM 1132 O GLU A 75 -1.522 0.534 10.158 1.00 0.38 O ATOM 1133 CB GLU A 75 1.615 0.508 11.125 1.00 0.53 C ATOM 1134 CG GLU A 75 2.341 0.214 12.417 1.00 0.66 C ATOM 1135 CD GLU A 75 1.516 0.571 13.629 1.00 0.74 C ATOM 1136 OE1 GLU A 75 0.606 -0.203 13.983 1.00 0.88 O ATOM 1137 OE2 GLU A 75 1.772 1.627 14.235 1.00 0.80 O ATOM 0 H GLU A 75 2.112 -1.785 10.314 1.00 0.45 H new ATOM 0 HA GLU A 75 -0.016 -0.720 11.747 1.00 0.46 H new ATOM 0 HB2 GLU A 75 2.332 0.523 10.304 1.00 0.53 H new ATOM 0 HB3 GLU A 75 1.171 1.502 11.179 1.00 0.53 H new ATOM 0 HG2 GLU A 75 2.599 -0.844 12.454 1.00 0.66 H new ATOM 0 HG3 GLU A 75 3.278 0.771 12.440 1.00 0.66 H new ATOM 1144 N VAL A 76 -0.061 -0.025 8.550 1.00 0.32 N ATOM 1145 CA VAL A 76 -0.906 0.470 7.480 1.00 0.25 C ATOM 1146 C VAL A 76 -2.041 -0.517 7.213 1.00 0.20 C ATOM 1147 O VAL A 76 -3.160 -0.111 6.907 1.00 0.21 O ATOM 1148 CB VAL A 76 -0.092 0.757 6.198 1.00 0.26 C ATOM 1149 CG1 VAL A 76 1.084 1.654 6.534 1.00 0.37 C ATOM 1150 CG2 VAL A 76 0.399 -0.520 5.538 1.00 0.28 C ATOM 0 H VAL A 76 0.827 -0.422 8.243 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.340 1.419 7.796 1.00 0.25 H new ATOM 0 HB VAL A 76 -0.750 1.258 5.488 1.00 0.26 H new ATOM 0 HG11 VAL A 76 1.658 1.856 5.629 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.718 2.593 6.949 1.00 0.37 H new ATOM 0 HG13 VAL A 76 1.722 1.158 7.265 1.00 0.37 H new ATOM 0 HG21 VAL A 76 0.966 -0.271 4.641 1.00 0.28 H new ATOM 0 HG22 VAL A 76 1.038 -1.066 6.232 1.00 0.28 H new ATOM 0 HG23 VAL A 76 -0.455 -1.141 5.267 1.00 0.28 H new ATOM 1160 N VAL A 77 -1.751 -1.809 7.368 1.00 0.21 N ATOM 1161 CA VAL A 77 -2.747 -2.862 7.178 1.00 0.20 C ATOM 1162 C VAL A 77 -3.894 -2.661 8.159 1.00 0.26 C ATOM 1163 O VAL A 77 -5.069 -2.667 7.776 1.00 0.29 O ATOM 1164 CB VAL A 77 -2.110 -4.261 7.371 1.00 0.25 C ATOM 1165 CG1 VAL A 77 -3.158 -5.328 7.642 1.00 0.28 C ATOM 1166 CG2 VAL A 77 -1.278 -4.631 6.151 1.00 0.28 C ATOM 0 H VAL A 77 -0.826 -2.153 7.627 1.00 0.21 H new ATOM 0 HA VAL A 77 -3.131 -2.805 6.160 1.00 0.20 H new ATOM 0 HB VAL A 77 -1.462 -4.212 8.246 1.00 0.25 H new ATOM 0 HG11 VAL A 77 -2.669 -6.294 7.771 1.00 0.28 H new ATOM 0 HG12 VAL A 77 -3.708 -5.076 8.548 1.00 0.28 H new ATOM 0 HG13 VAL A 77 -3.849 -5.381 6.801 1.00 0.28 H new ATOM 0 HG21 VAL A 77 -0.835 -5.616 6.298 1.00 0.28 H new ATOM 0 HG22 VAL A 77 -1.916 -4.648 5.267 1.00 0.28 H new ATOM 0 HG23 VAL A 77 -0.487 -3.894 6.013 1.00 0.28 H new ATOM 1176 N GLU A 78 -3.537 -2.472 9.421 1.00 0.33 N ATOM 1177 CA GLU A 78 -4.510 -2.217 10.468 1.00 0.43 C ATOM 1178 C GLU A 78 -5.279 -0.970 10.142 1.00 0.45 C ATOM 1179 O GLU A 78 -6.500 -0.949 10.186 1.00 0.51 O ATOM 1180 CB GLU A 78 -3.820 -2.031 11.796 1.00 0.52 C ATOM 1181 CG GLU A 78 -2.980 -3.211 12.195 1.00 0.58 C ATOM 1182 CD GLU A 78 -2.357 -3.064 13.568 1.00 0.79 C ATOM 1183 OE1 GLU A 78 -2.763 -2.154 14.321 1.00 1.32 O ATOM 1184 OE2 GLU A 78 -1.453 -3.855 13.902 1.00 1.12 O ATOM 0 H GLU A 78 -2.570 -2.491 9.745 1.00 0.33 H new ATOM 0 HA GLU A 78 -5.185 -3.071 10.531 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -3.190 -1.143 11.750 1.00 0.52 H new ATOM 0 HB3 GLU A 78 -4.570 -1.850 12.566 1.00 0.52 H new ATOM 0 HG2 GLU A 78 -3.596 -4.110 12.177 1.00 0.58 H new ATOM 0 HG3 GLU A 78 -2.190 -3.352 11.458 1.00 0.58 H new ATOM 1191 N LEU A 79 -4.524 0.069 9.848 1.00 0.42 N ATOM 1192 CA LEU A 79 -5.081 1.366 9.468 1.00 0.47 C ATOM 1193 C LEU A 79 -6.228 1.179 8.476 1.00 0.48 C ATOM 1194 O LEU A 79 -7.338 1.663 8.706 1.00 0.58 O ATOM 1195 CB LEU A 79 -3.999 2.249 8.860 1.00 0.42 C ATOM 1196 CG LEU A 79 -3.902 3.654 9.444 1.00 0.50 C ATOM 1197 CD1 LEU A 79 -3.311 3.613 10.845 1.00 0.57 C ATOM 1198 CD2 LEU A 79 -3.068 4.533 8.532 1.00 0.46 C ATOM 0 H LEU A 79 -3.504 0.045 9.864 1.00 0.42 H new ATOM 0 HA LEU A 79 -5.468 1.854 10.363 1.00 0.47 H new ATOM 0 HB2 LEU A 79 -3.036 1.754 8.985 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -4.179 2.330 7.788 1.00 0.42 H new ATOM 0 HG LEU A 79 -4.904 4.077 9.517 1.00 0.50 H new ATOM 0 HD11 LEU A 79 -3.250 4.626 11.244 1.00 0.57 H new ATOM 0 HD12 LEU A 79 -3.946 3.006 11.490 1.00 0.57 H new ATOM 0 HD13 LEU A 79 -2.312 3.178 10.806 1.00 0.57 H new ATOM 0 HD21 LEU A 79 -3.002 5.536 8.954 1.00 0.46 H new ATOM 0 HD22 LEU A 79 -2.067 4.112 8.437 1.00 0.46 H new ATOM 0 HD23 LEU A 79 -3.535 4.583 7.548 1.00 0.46 H new ATOM 1210 N ILE A 80 -5.944 0.493 7.367 1.00 0.40 N ATOM 1211 CA ILE A 80 -6.948 0.186 6.370 1.00 0.45 C ATOM 1212 C ILE A 80 -8.142 -0.515 7.000 1.00 0.52 C ATOM 1213 O ILE A 80 -9.282 -0.107 6.817 1.00 0.63 O ATOM 1214 CB ILE A 80 -6.342 -0.727 5.307 1.00 0.37 C ATOM 1215 CG1 ILE A 80 -5.204 -0.001 4.616 1.00 0.33 C ATOM 1216 CG2 ILE A 80 -7.398 -1.185 4.323 1.00 0.46 C ATOM 1217 CD1 ILE A 80 -4.132 -0.925 4.120 1.00 0.27 C ATOM 0 H ILE A 80 -5.013 0.140 7.144 1.00 0.40 H new ATOM 0 HA ILE A 80 -7.285 1.120 5.921 1.00 0.45 H new ATOM 0 HB ILE A 80 -5.944 -1.624 5.781 1.00 0.37 H new ATOM 0 HG12 ILE A 80 -5.601 0.569 3.776 1.00 0.33 H new ATOM 0 HG13 ILE A 80 -4.765 0.717 5.309 1.00 0.33 H new ATOM 0 HG21 ILE A 80 -6.942 -1.834 3.576 1.00 0.46 H new ATOM 0 HG22 ILE A 80 -8.176 -1.734 4.854 1.00 0.46 H new ATOM 0 HG23 ILE A 80 -7.837 -0.317 3.831 1.00 0.46 H new ATOM 0 HD11 ILE A 80 -3.347 -0.345 3.636 1.00 0.27 H new ATOM 0 HD12 ILE A 80 -3.710 -1.477 4.960 1.00 0.27 H new ATOM 0 HD13 ILE A 80 -4.559 -1.626 3.403 1.00 0.27 H new ATOM 1229 N LEU A 81 -7.862 -1.588 7.718 1.00 0.48 N ATOM 1230 CA LEU A 81 -8.898 -2.360 8.403 1.00 0.56 C ATOM 1231 C LEU A 81 -9.758 -1.486 9.333 1.00 0.68 C ATOM 1232 O LEU A 81 -10.980 -1.638 9.377 1.00 0.78 O ATOM 1233 CB LEU A 81 -8.252 -3.499 9.197 1.00 0.52 C ATOM 1234 CG LEU A 81 -7.821 -4.703 8.361 1.00 0.51 C ATOM 1235 CD1 LEU A 81 -6.962 -5.646 9.187 1.00 0.48 C ATOM 1236 CD2 LEU A 81 -9.036 -5.437 7.813 1.00 0.68 C ATOM 0 H LEU A 81 -6.918 -1.952 7.846 1.00 0.48 H new ATOM 0 HA LEU A 81 -9.562 -2.769 7.642 1.00 0.56 H new ATOM 0 HB2 LEU A 81 -7.380 -3.108 9.721 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -8.956 -3.837 9.958 1.00 0.52 H new ATOM 0 HG LEU A 81 -7.228 -4.341 7.521 1.00 0.51 H new ATOM 0 HD11 LEU A 81 -6.665 -6.497 8.575 1.00 0.48 H new ATOM 0 HD12 LEU A 81 -6.073 -5.119 9.533 1.00 0.48 H new ATOM 0 HD13 LEU A 81 -7.532 -5.999 10.047 1.00 0.48 H new ATOM 0 HD21 LEU A 81 -8.708 -6.291 7.220 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -9.655 -5.785 8.640 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -9.617 -4.761 7.185 1.00 0.68 H new ATOM 1248 N LYS A 82 -9.116 -0.571 10.061 1.00 0.68 N ATOM 1249 CA LYS A 82 -9.801 0.318 11.001 1.00 0.80 C ATOM 1250 C LYS A 82 -10.701 1.363 10.329 1.00 0.87 C ATOM 1251 O LYS A 82 -11.373 2.129 11.021 1.00 1.00 O ATOM 1252 CB LYS A 82 -8.775 1.026 11.874 1.00 0.77 C ATOM 1253 CG LYS A 82 -7.925 0.048 12.643 1.00 0.75 C ATOM 1254 CD LYS A 82 -7.060 0.730 13.693 1.00 0.77 C ATOM 1255 CE LYS A 82 -5.702 1.122 13.131 1.00 0.78 C ATOM 1256 NZ LYS A 82 -4.779 1.605 14.191 1.00 0.88 N ATOM 0 H LYS A 82 -8.107 -0.425 10.016 1.00 0.68 H new ATOM 0 HA LYS A 82 -10.455 -0.317 11.598 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -8.136 1.651 11.250 1.00 0.77 H new ATOM 0 HB3 LYS A 82 -9.287 1.689 12.571 1.00 0.77 H new ATOM 0 HG2 LYS A 82 -8.569 -0.686 13.128 1.00 0.75 H new ATOM 0 HG3 LYS A 82 -7.286 -0.498 11.949 1.00 0.75 H new ATOM 0 HD2 LYS A 82 -7.571 1.618 14.065 1.00 0.77 H new ATOM 0 HD3 LYS A 82 -6.923 0.061 14.543 1.00 0.77 H new ATOM 0 HE2 LYS A 82 -5.257 0.264 12.626 1.00 0.78 H new ATOM 0 HE3 LYS A 82 -5.832 1.902 12.380 1.00 0.78 H new ATOM 0 HZ1 LYS A 82 -3.865 1.862 13.765 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -5.191 2.439 14.656 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -4.634 0.853 14.894 1.00 0.88 H new ATOM 1270 N SER A 83 -10.696 1.415 9.004 1.00 0.82 N ATOM 1271 CA SER A 83 -11.513 2.375 8.265 1.00 0.90 C ATOM 1272 C SER A 83 -12.991 2.315 8.665 1.00 1.02 C ATOM 1273 O SER A 83 -13.549 3.299 9.159 1.00 1.08 O ATOM 1274 CB SER A 83 -11.374 2.120 6.773 1.00 0.85 C ATOM 1275 OG SER A 83 -11.658 0.769 6.458 1.00 0.78 O ATOM 0 H SER A 83 -10.133 0.802 8.414 1.00 0.82 H new ATOM 0 HA SER A 83 -11.150 3.373 8.513 1.00 0.90 H new ATOM 0 HB2 SER A 83 -12.051 2.775 6.224 1.00 0.85 H new ATOM 0 HB3 SER A 83 -10.362 2.367 6.451 1.00 0.85 H new ATOM 0 HG SER A 83 -10.862 0.221 6.619 1.00 0.78 H new ATOM 1281 N GLY A 84 -13.624 1.174 8.432 1.00 1.06 N ATOM 1282 CA GLY A 84 -15.022 1.018 8.775 1.00 1.18 C ATOM 1283 C GLY A 84 -15.923 1.089 7.558 1.00 1.22 C ATOM 1284 O GLY A 84 -16.371 2.173 7.180 1.00 1.29 O ATOM 0 H GLY A 84 -13.192 0.352 8.010 1.00 1.06 H new ATOM 0 HA2 GLY A 84 -15.166 0.061 9.276 1.00 1.18 H new ATOM 0 HA3 GLY A 84 -15.309 1.795 9.483 1.00 1.18 H new ATOM 1288 N ASN A 85 -16.149 -0.069 6.935 1.00 1.19 N ATOM 1289 CA ASN A 85 -17.003 -0.201 5.745 1.00 1.25 C ATOM 1290 C ASN A 85 -16.313 0.321 4.482 1.00 1.19 C ATOM 1291 O ASN A 85 -16.482 -0.248 3.410 1.00 1.19 O ATOM 1292 CB ASN A 85 -18.371 0.474 5.958 1.00 1.40 C ATOM 1293 CG ASN A 85 -18.931 1.125 4.702 1.00 1.45 C ATOM 1294 OD1 ASN A 85 -18.786 2.327 4.498 1.00 1.48 O ATOM 1295 ND2 ASN A 85 -19.584 0.343 3.859 1.00 1.50 N ATOM 0 H ASN A 85 -15.742 -0.952 7.243 1.00 1.19 H new ATOM 0 HA ASN A 85 -17.179 -1.266 5.595 1.00 1.25 H new ATOM 0 HB2 ASN A 85 -19.081 -0.270 6.319 1.00 1.40 H new ATOM 0 HB3 ASN A 85 -18.276 1.230 6.738 1.00 1.40 H new ATOM 0 HD21 ASN A 85 -19.986 0.735 3.007 1.00 1.50 H new ATOM 0 HD22 ASN A 85 -19.685 -0.652 4.060 1.00 1.50 H new ATOM 1302 N LYS A 86 -15.554 1.397 4.604 1.00 1.14 N ATOM 1303 CA LYS A 86 -14.838 1.958 3.484 1.00 1.10 C ATOM 1304 C LYS A 86 -13.566 2.591 3.955 1.00 1.02 C ATOM 1305 O LYS A 86 -13.488 3.116 5.065 1.00 1.04 O ATOM 1306 CB LYS A 86 -15.657 2.988 2.752 1.00 1.19 C ATOM 1307 CG LYS A 86 -16.153 4.089 3.650 1.00 1.28 C ATOM 1308 CD LYS A 86 -17.326 4.816 3.039 1.00 1.38 C ATOM 1309 CE LYS A 86 -17.386 6.260 3.499 1.00 1.44 C ATOM 1310 NZ LYS A 86 -18.512 6.993 2.869 1.00 1.58 N ATOM 0 H LYS A 86 -15.421 1.900 5.481 1.00 1.14 H new ATOM 0 HA LYS A 86 -14.621 1.141 2.796 1.00 1.10 H new ATOM 0 HB2 LYS A 86 -15.056 3.421 1.953 1.00 1.19 H new ATOM 0 HB3 LYS A 86 -16.509 2.499 2.281 1.00 1.19 H new ATOM 0 HG2 LYS A 86 -16.445 3.670 4.613 1.00 1.28 H new ATOM 0 HG3 LYS A 86 -15.345 4.796 3.841 1.00 1.28 H new ATOM 0 HD2 LYS A 86 -17.250 4.782 1.952 1.00 1.38 H new ATOM 0 HD3 LYS A 86 -18.251 4.308 3.310 1.00 1.38 H new ATOM 0 HE2 LYS A 86 -17.493 6.292 4.583 1.00 1.44 H new ATOM 0 HE3 LYS A 86 -16.447 6.758 3.257 1.00 1.44 H new ATOM 0 HZ1 LYS A 86 -18.519 7.976 3.208 1.00 1.58 H new ATOM 0 HZ2 LYS A 86 -18.397 6.984 1.835 1.00 1.58 H new ATOM 0 HZ3 LYS A 86 -19.410 6.533 3.121 1.00 1.58 H new ATOM 1324 N VAL A 87 -12.598 2.567 3.092 1.00 0.95 N ATOM 1325 CA VAL A 87 -11.295 3.106 3.400 1.00 0.87 C ATOM 1326 C VAL A 87 -10.799 4.023 2.293 1.00 0.88 C ATOM 1327 O VAL A 87 -10.873 3.689 1.113 1.00 0.91 O ATOM 1328 CB VAL A 87 -10.293 1.959 3.644 1.00 0.76 C ATOM 1329 CG1 VAL A 87 -10.289 0.994 2.472 1.00 0.75 C ATOM 1330 CG2 VAL A 87 -8.893 2.490 3.909 1.00 0.68 C ATOM 0 H VAL A 87 -12.681 2.176 2.154 1.00 0.95 H new ATOM 0 HA VAL A 87 -11.380 3.702 4.309 1.00 0.87 H new ATOM 0 HB VAL A 87 -10.616 1.420 4.535 1.00 0.76 H new ATOM 0 HG11 VAL A 87 -9.576 0.192 2.663 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.286 0.571 2.346 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.003 1.525 1.564 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.213 1.655 4.077 1.00 0.68 H new ATOM 0 HG22 VAL A 87 -8.554 3.067 3.049 1.00 0.68 H new ATOM 0 HG23 VAL A 87 -8.907 3.129 4.792 1.00 0.68 H new ATOM 1340 N ALA A 88 -10.324 5.189 2.685 1.00 0.87 N ATOM 1341 CA ALA A 88 -9.804 6.155 1.735 1.00 0.89 C ATOM 1342 C ALA A 88 -8.307 5.973 1.594 1.00 0.80 C ATOM 1343 O ALA A 88 -7.551 6.213 2.531 1.00 0.76 O ATOM 1344 CB ALA A 88 -10.121 7.570 2.168 1.00 0.96 C ATOM 0 H ALA A 88 -10.287 5.492 3.658 1.00 0.87 H new ATOM 0 HA ALA A 88 -10.283 5.985 0.771 1.00 0.89 H new ATOM 0 HB1 ALA A 88 -9.720 8.273 1.438 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -11.202 7.696 2.237 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -9.671 7.762 3.142 1.00 0.96 H new ATOM 1350 N ILE A 89 -7.885 5.548 0.428 1.00 0.79 N ATOM 1351 CA ILE A 89 -6.474 5.307 0.179 1.00 0.72 C ATOM 1352 C ILE A 89 -5.896 6.324 -0.793 1.00 0.78 C ATOM 1353 O ILE A 89 -6.223 6.323 -1.978 1.00 0.86 O ATOM 1354 CB ILE A 89 -6.241 3.890 -0.368 1.00 0.70 C ATOM 1355 CG1 ILE A 89 -7.028 2.858 0.455 1.00 0.66 C ATOM 1356 CG2 ILE A 89 -4.764 3.578 -0.365 1.00 0.67 C ATOM 1357 CD1 ILE A 89 -6.292 1.560 0.725 1.00 0.60 C ATOM 0 H ILE A 89 -8.495 5.360 -0.368 1.00 0.79 H new ATOM 0 HA ILE A 89 -5.963 5.409 1.136 1.00 0.72 H new ATOM 0 HB ILE A 89 -6.603 3.840 -1.395 1.00 0.70 H new ATOM 0 HG12 ILE A 89 -7.302 3.308 1.409 1.00 0.66 H new ATOM 0 HG13 ILE A 89 -7.957 2.630 -0.068 1.00 0.66 H new ATOM 0 HG21 ILE A 89 -4.604 2.572 -0.754 1.00 0.67 H new ATOM 0 HG22 ILE A 89 -4.239 4.298 -0.993 1.00 0.67 H new ATOM 0 HG23 ILE A 89 -4.381 3.638 0.654 1.00 0.67 H new ATOM 0 HD11 ILE A 89 -6.928 0.897 1.312 1.00 0.60 H new ATOM 0 HD12 ILE A 89 -6.042 1.080 -0.221 1.00 0.60 H new ATOM 0 HD13 ILE A 89 -5.377 1.769 1.279 1.00 0.60 H new ATOM 1369 N SER A 90 -5.040 7.191 -0.290 1.00 0.75 N ATOM 1370 CA SER A 90 -4.414 8.209 -1.112 1.00 0.81 C ATOM 1371 C SER A 90 -3.311 7.574 -1.953 1.00 0.82 C ATOM 1372 O SER A 90 -2.350 7.016 -1.417 1.00 0.77 O ATOM 1373 CB SER A 90 -3.861 9.319 -0.221 1.00 0.79 C ATOM 1374 OG SER A 90 -4.779 9.631 0.820 1.00 0.82 O ATOM 0 H SER A 90 -4.760 7.211 0.691 1.00 0.75 H new ATOM 0 HA SER A 90 -5.149 8.649 -1.786 1.00 0.81 H new ATOM 0 HB2 SER A 90 -2.909 9.007 0.208 1.00 0.79 H new ATOM 0 HB3 SER A 90 -3.665 10.209 -0.819 1.00 0.79 H new ATOM 0 HG SER A 90 -4.684 10.574 1.068 1.00 0.82 H new ATOM 1380 N THR A 91 -3.457 7.654 -3.267 1.00 0.91 N ATOM 1381 CA THR A 91 -2.500 7.058 -4.180 1.00 0.95 C ATOM 1382 C THR A 91 -1.640 8.104 -4.882 1.00 1.04 C ATOM 1383 O THR A 91 -1.987 9.283 -4.938 1.00 1.09 O ATOM 1384 CB THR A 91 -3.232 6.208 -5.237 1.00 1.02 C ATOM 1385 OG1 THR A 91 -4.534 6.757 -5.479 1.00 1.06 O ATOM 1386 CG2 THR A 91 -3.370 4.766 -4.778 1.00 0.97 C ATOM 0 H THR A 91 -4.235 8.129 -3.725 1.00 0.91 H new ATOM 0 HA THR A 91 -1.840 6.428 -3.583 1.00 0.95 H new ATOM 0 HB THR A 91 -2.645 6.224 -6.155 1.00 1.02 H new ATOM 0 HG1 THR A 91 -4.997 6.216 -6.152 1.00 1.06 H new ATOM 0 HG21 THR A 91 -3.890 4.189 -5.543 1.00 0.97 H new ATOM 0 HG22 THR A 91 -2.380 4.340 -4.613 1.00 0.97 H new ATOM 0 HG23 THR A 91 -3.939 4.733 -3.849 1.00 0.97 H new ATOM 1394 N THR A 92 -0.512 7.647 -5.399 1.00 1.10 N ATOM 1395 CA THR A 92 0.426 8.482 -6.123 1.00 1.19 C ATOM 1396 C THR A 92 1.329 7.562 -6.946 1.00 1.24 C ATOM 1397 O THR A 92 1.523 6.408 -6.564 1.00 1.20 O ATOM 1398 CB THR A 92 1.263 9.368 -5.156 1.00 1.16 C ATOM 1399 OG1 THR A 92 2.296 10.074 -5.861 1.00 1.24 O ATOM 1400 CG2 THR A 92 1.885 8.536 -4.044 1.00 1.08 C ATOM 0 H THR A 92 -0.220 6.672 -5.326 1.00 1.10 H new ATOM 0 HA THR A 92 -0.115 9.165 -6.778 1.00 1.19 H new ATOM 0 HB THR A 92 0.579 10.092 -4.714 1.00 1.16 H new ATOM 0 HG1 THR A 92 2.805 10.624 -5.230 1.00 1.24 H new ATOM 0 HG21 THR A 92 2.463 9.184 -3.385 1.00 1.08 H new ATOM 0 HG22 THR A 92 1.097 8.047 -3.472 1.00 1.08 H new ATOM 0 HG23 THR A 92 2.541 7.781 -4.478 1.00 1.08 H new ATOM 1408 N PRO A 93 1.840 8.024 -8.104 1.00 1.35 N ATOM 1409 CA PRO A 93 2.719 7.215 -8.961 1.00 1.42 C ATOM 1410 C PRO A 93 3.898 6.594 -8.222 1.00 1.38 C ATOM 1411 O PRO A 93 4.375 7.124 -7.212 1.00 1.33 O ATOM 1412 CB PRO A 93 3.242 8.220 -9.980 1.00 1.52 C ATOM 1413 CG PRO A 93 2.169 9.248 -10.074 1.00 1.52 C ATOM 1414 CD PRO A 93 1.572 9.350 -8.695 1.00 1.42 C ATOM 0 HA PRO A 93 2.173 6.371 -9.381 1.00 1.42 H new ATOM 0 HB2 PRO A 93 4.185 8.659 -9.656 1.00 1.52 H new ATOM 0 HB3 PRO A 93 3.425 7.748 -10.945 1.00 1.52 H new ATOM 0 HG2 PRO A 93 2.574 10.207 -10.396 1.00 1.52 H new ATOM 0 HG3 PRO A 93 1.415 8.959 -10.806 1.00 1.52 H new ATOM 0 HD2 PRO A 93 2.035 10.149 -8.115 1.00 1.42 H new ATOM 0 HD3 PRO A 93 0.504 9.563 -8.735 1.00 1.42 H new ATOM 1422 N LEU A 94 4.366 5.476 -8.747 1.00 1.42 N ATOM 1423 CA LEU A 94 5.503 4.770 -8.187 1.00 1.41 C ATOM 1424 C LEU A 94 6.680 4.890 -9.144 1.00 1.50 C ATOM 1425 O LEU A 94 6.986 3.971 -9.904 1.00 1.53 O ATOM 1426 CB LEU A 94 5.168 3.293 -7.920 1.00 1.39 C ATOM 1427 CG LEU A 94 6.372 2.381 -7.627 1.00 1.43 C ATOM 1428 CD1 LEU A 94 7.061 2.775 -6.333 1.00 1.38 C ATOM 1429 CD2 LEU A 94 5.939 0.928 -7.575 1.00 1.46 C ATOM 0 H LEU A 94 3.968 5.032 -9.574 1.00 1.42 H new ATOM 0 HA LEU A 94 5.763 5.220 -7.229 1.00 1.41 H new ATOM 0 HB2 LEU A 94 4.482 3.242 -7.075 1.00 1.39 H new ATOM 0 HB3 LEU A 94 4.637 2.897 -8.786 1.00 1.39 H new ATOM 0 HG LEU A 94 7.088 2.504 -8.439 1.00 1.43 H new ATOM 0 HD11 LEU A 94 7.907 2.111 -6.155 1.00 1.38 H new ATOM 0 HD12 LEU A 94 7.415 3.803 -6.408 1.00 1.38 H new ATOM 0 HD13 LEU A 94 6.356 2.694 -5.506 1.00 1.38 H new ATOM 0 HD21 LEU A 94 6.804 0.298 -7.367 1.00 1.46 H new ATOM 0 HD22 LEU A 94 5.197 0.797 -6.787 1.00 1.46 H new ATOM 0 HD23 LEU A 94 5.505 0.643 -8.533 1.00 1.46 H new ATOM 1441 N GLU A 95 7.303 6.051 -9.145 1.00 1.54 N ATOM 1442 CA GLU A 95 8.445 6.288 -9.998 1.00 1.63 C ATOM 1443 C GLU A 95 9.705 6.297 -9.153 1.00 1.62 C ATOM 1444 O GLU A 95 9.818 7.057 -8.191 1.00 1.54 O ATOM 1445 CB GLU A 95 8.313 7.616 -10.736 1.00 1.61 C ATOM 1446 CG GLU A 95 6.966 7.817 -11.424 1.00 1.66 C ATOM 1447 CD GLU A 95 6.847 7.015 -12.704 1.00 1.76 C ATOM 1448 OE1 GLU A 95 7.742 7.126 -13.565 1.00 1.92 O ATOM 1449 OE2 GLU A 95 5.863 6.264 -12.857 1.00 1.89 O ATOM 0 H GLU A 95 7.036 6.845 -8.563 1.00 1.54 H new ATOM 0 HA GLU A 95 8.497 5.491 -10.740 1.00 1.63 H new ATOM 0 HB2 GLU A 95 8.472 8.430 -10.028 1.00 1.61 H new ATOM 0 HB3 GLU A 95 9.104 7.684 -11.483 1.00 1.61 H new ATOM 0 HG2 GLU A 95 6.166 7.529 -10.742 1.00 1.66 H new ATOM 0 HG3 GLU A 95 6.829 8.875 -11.647 1.00 1.66 H new ATOM 1612 N ILE B 106 3.807 -9.419 2.545 1.00 0.89 N ATOM 1613 CA ILE B 106 2.559 -9.419 1.797 1.00 0.86 C ATOM 1614 C ILE B 106 1.379 -9.763 2.696 1.00 0.77 C ATOM 1615 O ILE B 106 1.408 -10.757 3.424 1.00 0.81 O ATOM 1616 CB ILE B 106 2.610 -10.411 0.612 1.00 1.01 C ATOM 1617 CG1 ILE B 106 1.203 -10.661 0.052 1.00 1.40 C ATOM 1618 CG2 ILE B 106 3.268 -11.718 1.030 1.00 1.68 C ATOM 1619 CD1 ILE B 106 1.159 -11.654 -1.087 1.00 1.61 C ATOM 0 HA ILE B 106 2.424 -8.411 1.404 1.00 0.86 H new ATOM 0 HB ILE B 106 3.215 -9.967 -0.178 1.00 1.01 H new ATOM 0 HG12 ILE B 106 0.562 -11.019 0.857 1.00 1.40 H new ATOM 0 HG13 ILE B 106 0.786 -9.714 -0.290 1.00 1.40 H new ATOM 0 HG21 ILE B 106 3.293 -12.401 0.181 1.00 1.68 H new ATOM 0 HG22 ILE B 106 4.286 -11.521 1.368 1.00 1.68 H new ATOM 0 HG23 ILE B 106 2.697 -12.169 1.842 1.00 1.68 H new ATOM 0 HD11 ILE B 106 0.130 -11.774 -1.425 1.00 1.61 H new ATOM 0 HD12 ILE B 106 1.772 -11.289 -1.911 1.00 1.61 H new ATOM 0 HD13 ILE B 106 1.544 -12.615 -0.747 1.00 1.61 H new ATOM 1631 N THR B 107 0.351 -8.930 2.648 1.00 0.68 N ATOM 1632 CA THR B 107 -0.841 -9.142 3.444 1.00 0.63 C ATOM 1633 C THR B 107 -2.089 -8.770 2.660 1.00 0.57 C ATOM 1634 O THR B 107 -2.161 -7.711 2.031 1.00 0.56 O ATOM 1635 CB THR B 107 -0.790 -8.336 4.759 1.00 0.64 C ATOM 1636 OG1 THR B 107 0.445 -8.593 5.438 1.00 0.80 O ATOM 1637 CG2 THR B 107 -1.955 -8.691 5.675 1.00 0.62 C ATOM 0 H THR B 107 0.322 -8.096 2.061 1.00 0.68 H new ATOM 0 HA THR B 107 -0.881 -10.203 3.691 1.00 0.63 H new ATOM 0 HB THR B 107 -0.863 -7.278 4.507 1.00 0.64 H new ATOM 0 HG1 THR B 107 1.186 -8.209 4.925 1.00 0.80 H new ATOM 0 HG21 THR B 107 -1.888 -8.105 6.592 1.00 0.62 H new ATOM 0 HG22 THR B 107 -2.895 -8.469 5.170 1.00 0.62 H new ATOM 0 HG23 THR B 107 -1.916 -9.753 5.919 1.00 0.62 H new ATOM 1645 N LYS B 108 -3.054 -9.671 2.679 1.00 0.65 N ATOM 1646 CA LYS B 108 -4.314 -9.460 2.002 1.00 0.68 C ATOM 1647 C LYS B 108 -5.232 -8.677 2.925 1.00 0.58 C ATOM 1648 O LYS B 108 -5.402 -9.050 4.086 1.00 0.68 O ATOM 1649 CB LYS B 108 -4.937 -10.806 1.630 1.00 0.91 C ATOM 1650 CG LYS B 108 -4.207 -11.512 0.497 1.00 1.20 C ATOM 1651 CD LYS B 108 -3.328 -12.642 1.005 1.00 1.70 C ATOM 1652 CE LYS B 108 -4.160 -13.826 1.469 1.00 2.51 C ATOM 1653 NZ LYS B 108 -3.315 -14.999 1.807 1.00 3.39 N ATOM 0 H LYS B 108 -2.984 -10.566 3.163 1.00 0.65 H new ATOM 0 HA LYS B 108 -4.159 -8.896 1.082 1.00 0.68 H new ATOM 0 HB2 LYS B 108 -4.942 -11.452 2.508 1.00 0.91 H new ATOM 0 HB3 LYS B 108 -5.977 -10.651 1.342 1.00 0.91 H new ATOM 0 HG2 LYS B 108 -4.934 -11.909 -0.212 1.00 1.20 H new ATOM 0 HG3 LYS B 108 -3.594 -10.791 -0.045 1.00 1.20 H new ATOM 0 HD2 LYS B 108 -2.649 -12.960 0.214 1.00 1.70 H new ATOM 0 HD3 LYS B 108 -2.712 -12.283 1.829 1.00 1.70 H new ATOM 0 HE2 LYS B 108 -4.746 -13.538 2.341 1.00 2.51 H new ATOM 0 HE3 LYS B 108 -4.867 -14.102 0.687 1.00 2.51 H new ATOM 0 HZ1 LYS B 108 -3.921 -15.785 2.119 1.00 3.39 H new ATOM 0 HZ2 LYS B 108 -2.774 -15.291 0.968 1.00 3.39 H new ATOM 0 HZ3 LYS B 108 -2.657 -14.744 2.571 1.00 3.39 H new ATOM 1667 N VAL B 109 -5.817 -7.597 2.436 1.00 0.51 N ATOM 1668 CA VAL B 109 -6.671 -6.794 3.272 1.00 0.55 C ATOM 1669 C VAL B 109 -7.979 -6.497 2.560 1.00 0.76 C ATOM 1670 O VAL B 109 -7.945 -6.237 1.339 1.00 1.40 O ATOM 1671 CB VAL B 109 -5.948 -5.492 3.691 1.00 0.56 C ATOM 1672 CG1 VAL B 109 -5.579 -4.650 2.478 1.00 0.59 C ATOM 1673 CG2 VAL B 109 -6.786 -4.694 4.677 1.00 1.21 C ATOM 1674 OXT VAL B 109 -9.038 -6.571 3.213 1.00 1.18 O ATOM 0 H VAL B 109 -5.714 -7.265 1.477 1.00 0.51 H new ATOM 0 HA VAL B 109 -6.903 -7.352 4.179 1.00 0.55 H new ATOM 0 HB VAL B 109 -5.022 -5.774 4.191 1.00 0.56 H new ATOM 0 HG11 VAL B 109 -5.073 -3.742 2.806 1.00 0.59 H new ATOM 0 HG12 VAL B 109 -4.916 -5.220 1.827 1.00 0.59 H new ATOM 0 HG13 VAL B 109 -6.484 -4.384 1.931 1.00 0.59 H new ATOM 0 HG21 VAL B 109 -6.254 -3.784 4.954 1.00 1.21 H new ATOM 0 HG22 VAL B 109 -7.738 -4.431 4.216 1.00 1.21 H new ATOM 0 HG23 VAL B 109 -6.968 -5.294 5.569 1.00 1.21 H new