USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=15 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 38 HIS : no HD1:sc= -1.22 X(o=-3.9,f=-3.6) USER MOD Set 1.2: A 73 HIS : no HE2:sc= -2.63 K(o=-3.9,f=-7.1!) USER MOD Set 1.3: B 107 THR OG1 : rot 180:sc= -0.0618 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.723 X(o=-0.72,f=-1.1) USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.0718 X(o=-2.2,f=-2.6) USER MOD Set 3.2: A 56 GLN :FLIP amide:sc= -2.15! C(o=-3.6!,f=-2.2!) USER MOD Set 4.1: A 17 TYR OH : rot -108:sc= -0.939! USER MOD Set 4.2: A 83 SER OG : rot -91:sc= 0.0541 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=-0.73,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 155:sc= -0.0542 (180deg=-0.217) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.47! C(o=-3.5!,f=-6.2!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.829 K(o=-0.83,f=-2.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -170:sc=-0.00316 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.991 USER MOD Single : B 108 LYS NZ :NH3+ -159:sc= 1.31 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 28 N MET A 4 -3.445 16.384 -3.590 1.00 1.28 N ATOM 29 CA MET A 4 -3.567 16.407 -5.041 1.00 1.37 C ATOM 30 C MET A 4 -4.234 15.132 -5.543 1.00 1.38 C ATOM 31 O MET A 4 -5.279 15.180 -6.193 1.00 1.57 O ATOM 32 CB MET A 4 -2.186 16.562 -5.688 1.00 1.36 C ATOM 33 CG MET A 4 -2.222 16.601 -7.205 1.00 1.51 C ATOM 34 SD MET A 4 -3.243 17.943 -7.842 1.00 1.75 S ATOM 35 CE MET A 4 -3.151 17.617 -9.600 1.00 1.95 C ATOM 0 HA MET A 4 -4.187 17.259 -5.319 1.00 1.37 H new ATOM 0 HB2 MET A 4 -1.724 17.478 -5.321 1.00 1.36 H new ATOM 0 HB3 MET A 4 -1.551 15.735 -5.370 1.00 1.36 H new ATOM 0 HG2 MET A 4 -1.207 16.710 -7.586 1.00 1.51 H new ATOM 0 HG3 MET A 4 -2.603 15.651 -7.580 1.00 1.51 H new ATOM 0 HE1 MET A 4 -3.734 18.363 -10.139 1.00 1.95 H new ATOM 0 HE2 MET A 4 -2.112 17.664 -9.925 1.00 1.95 H new ATOM 0 HE3 MET A 4 -3.551 16.625 -9.807 1.00 1.95 H new ATOM 45 N ARG A 5 -3.628 13.998 -5.227 1.00 1.21 N ATOM 46 CA ARG A 5 -4.151 12.705 -5.647 1.00 1.23 C ATOM 47 C ARG A 5 -5.361 12.320 -4.805 1.00 1.21 C ATOM 48 O ARG A 5 -5.257 12.205 -3.582 1.00 1.14 O ATOM 49 CB ARG A 5 -3.075 11.620 -5.537 1.00 1.15 C ATOM 50 CG ARG A 5 -2.128 11.552 -6.730 1.00 1.23 C ATOM 51 CD ARG A 5 -1.225 12.771 -6.801 1.00 1.22 C ATOM 52 NE ARG A 5 -0.071 12.547 -7.661 1.00 1.29 N ATOM 53 CZ ARG A 5 1.183 12.845 -7.325 1.00 1.34 C ATOM 54 NH1 ARG A 5 1.450 13.379 -6.138 1.00 1.32 N ATOM 55 NH2 ARG A 5 2.169 12.610 -8.179 1.00 1.48 N ATOM 0 H ARG A 5 -2.770 13.946 -4.679 1.00 1.21 H new ATOM 0 HA ARG A 5 -4.456 12.789 -6.690 1.00 1.23 H new ATOM 0 HB2 ARG A 5 -2.491 11.795 -4.634 1.00 1.15 H new ATOM 0 HB3 ARG A 5 -3.562 10.652 -5.419 1.00 1.15 H new ATOM 0 HG2 ARG A 5 -1.518 10.651 -6.660 1.00 1.23 H new ATOM 0 HG3 ARG A 5 -2.707 11.474 -7.650 1.00 1.23 H new ATOM 0 HD2 ARG A 5 -1.794 13.623 -7.173 1.00 1.22 H new ATOM 0 HD3 ARG A 5 -0.885 13.029 -5.798 1.00 1.22 H new ATOM 0 HE ARG A 5 -0.234 12.135 -8.580 1.00 1.29 H new ATOM 0 HH11 ARG A 5 0.693 13.562 -5.479 1.00 1.32 H new ATOM 0 HH12 ARG A 5 2.412 13.605 -5.885 1.00 1.32 H new ATOM 0 HH21 ARG A 5 1.967 12.202 -9.092 1.00 1.48 H new ATOM 0 HH22 ARG A 5 3.130 12.837 -7.924 1.00 1.48 H new ATOM 69 N PRO A 6 -6.520 12.121 -5.448 1.00 1.28 N ATOM 70 CA PRO A 6 -7.756 11.752 -4.757 1.00 1.28 C ATOM 71 C PRO A 6 -7.688 10.340 -4.185 1.00 1.20 C ATOM 72 O PRO A 6 -7.245 9.410 -4.863 1.00 1.19 O ATOM 73 CB PRO A 6 -8.810 11.836 -5.860 1.00 1.41 C ATOM 74 CG PRO A 6 -8.064 11.589 -7.105 1.00 1.43 C ATOM 75 CD PRO A 6 -6.720 12.224 -6.905 1.00 1.37 C ATOM 0 HA PRO A 6 -7.964 12.397 -3.903 1.00 1.28 H new ATOM 0 HB2 PRO A 6 -9.596 11.095 -5.715 1.00 1.41 H new ATOM 0 HB3 PRO A 6 -9.292 12.813 -5.874 1.00 1.41 H new ATOM 0 HG2 PRO A 6 -7.967 10.521 -7.298 1.00 1.43 H new ATOM 0 HG3 PRO A 6 -8.578 12.023 -7.962 1.00 1.43 H new ATOM 0 HD2 PRO A 6 -5.940 11.701 -7.458 1.00 1.37 H new ATOM 0 HD3 PRO A 6 -6.709 13.261 -7.242 1.00 1.37 H new ATOM 83 N PRO A 7 -8.102 10.157 -2.924 1.00 1.16 N ATOM 84 CA PRO A 7 -8.076 8.848 -2.281 1.00 1.08 C ATOM 85 C PRO A 7 -9.090 7.878 -2.879 1.00 1.12 C ATOM 86 O PRO A 7 -10.158 8.272 -3.352 1.00 1.23 O ATOM 87 CB PRO A 7 -8.425 9.135 -0.818 1.00 1.05 C ATOM 88 CG PRO A 7 -8.344 10.615 -0.661 1.00 1.12 C ATOM 89 CD PRO A 7 -8.610 11.197 -2.020 1.00 1.20 C ATOM 0 HA PRO A 7 -7.105 8.369 -2.412 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -9.423 8.771 -0.576 1.00 1.05 H new ATOM 0 HB3 PRO A 7 -7.730 8.632 -0.145 1.00 1.05 H new ATOM 0 HG2 PRO A 7 -9.076 10.970 0.064 1.00 1.12 H new ATOM 0 HG3 PRO A 7 -7.362 10.914 -0.295 1.00 1.12 H new ATOM 0 HD2 PRO A 7 -9.672 11.387 -2.178 1.00 1.20 H new ATOM 0 HD3 PRO A 7 -8.092 12.145 -2.162 1.00 1.20 H new ATOM 97 N ILE A 8 -8.735 6.610 -2.853 1.00 1.04 N ATOM 98 CA ILE A 8 -9.572 5.545 -3.354 1.00 1.07 C ATOM 99 C ILE A 8 -10.468 5.036 -2.229 1.00 1.05 C ATOM 100 O ILE A 8 -10.056 4.190 -1.440 1.00 0.97 O ATOM 101 CB ILE A 8 -8.701 4.389 -3.886 1.00 1.04 C ATOM 102 CG1 ILE A 8 -7.724 4.894 -4.953 1.00 1.08 C ATOM 103 CG2 ILE A 8 -9.559 3.267 -4.435 1.00 1.09 C ATOM 104 CD1 ILE A 8 -8.347 5.104 -6.317 1.00 1.19 C ATOM 0 H ILE A 8 -7.843 6.288 -2.477 1.00 1.04 H new ATOM 0 HA ILE A 8 -10.186 5.926 -4.169 1.00 1.07 H new ATOM 0 HB ILE A 8 -8.124 3.993 -3.051 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -7.290 5.835 -4.616 1.00 1.08 H new ATOM 0 HG13 ILE A 8 -6.905 4.181 -5.046 1.00 1.08 H new ATOM 0 HG21 ILE A 8 -8.918 2.466 -4.803 1.00 1.09 H new ATOM 0 HG22 ILE A 8 -10.204 2.882 -3.645 1.00 1.09 H new ATOM 0 HG23 ILE A 8 -10.173 3.645 -5.252 1.00 1.09 H new ATOM 0 HD11 ILE A 8 -7.588 5.462 -7.013 1.00 1.19 H new ATOM 0 HD12 ILE A 8 -8.756 4.161 -6.679 1.00 1.19 H new ATOM 0 HD13 ILE A 8 -9.147 5.841 -6.242 1.00 1.19 H new ATOM 116 N ILE A 9 -11.665 5.604 -2.116 1.00 1.12 N ATOM 117 CA ILE A 9 -12.606 5.209 -1.077 1.00 1.12 C ATOM 118 C ILE A 9 -13.144 3.800 -1.332 1.00 1.13 C ATOM 119 O ILE A 9 -14.063 3.599 -2.131 1.00 1.21 O ATOM 120 CB ILE A 9 -13.785 6.208 -0.972 1.00 1.23 C ATOM 121 CG1 ILE A 9 -13.380 7.528 -0.313 1.00 1.23 C ATOM 122 CG2 ILE A 9 -14.932 5.605 -0.178 1.00 1.26 C ATOM 123 CD1 ILE A 9 -12.054 8.114 -0.746 1.00 1.20 C ATOM 0 H ILE A 9 -12.005 6.341 -2.734 1.00 1.12 H new ATOM 0 HA ILE A 9 -12.063 5.215 -0.132 1.00 1.12 H new ATOM 0 HB ILE A 9 -14.098 6.415 -1.995 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -14.160 8.263 -0.511 1.00 1.23 H new ATOM 0 HG13 ILE A 9 -13.351 7.377 0.766 1.00 1.23 H new ATOM 0 HG21 ILE A 9 -15.749 6.324 -0.117 1.00 1.26 H new ATOM 0 HG22 ILE A 9 -15.281 4.699 -0.674 1.00 1.26 H new ATOM 0 HG23 ILE A 9 -14.589 5.359 0.827 1.00 1.26 H new ATOM 0 HD11 ILE A 9 -11.877 9.047 -0.211 1.00 1.20 H new ATOM 0 HD12 ILE A 9 -11.254 7.409 -0.521 1.00 1.20 H new ATOM 0 HD13 ILE A 9 -12.075 8.309 -1.818 1.00 1.20 H new ATOM 135 N ILE A 10 -12.539 2.832 -0.666 1.00 1.03 N ATOM 136 CA ILE A 10 -12.926 1.437 -0.780 1.00 1.03 C ATOM 137 C ILE A 10 -13.873 1.044 0.334 1.00 1.04 C ATOM 138 O ILE A 10 -13.627 1.336 1.502 1.00 0.99 O ATOM 139 CB ILE A 10 -11.691 0.530 -0.717 1.00 0.93 C ATOM 140 CG1 ILE A 10 -10.663 1.003 -1.732 1.00 0.93 C ATOM 141 CG2 ILE A 10 -12.070 -0.916 -0.981 1.00 0.94 C ATOM 142 CD1 ILE A 10 -9.273 0.456 -1.509 1.00 0.84 C ATOM 0 H ILE A 10 -11.761 2.993 -0.027 1.00 1.03 H new ATOM 0 HA ILE A 10 -13.427 1.314 -1.740 1.00 1.03 H new ATOM 0 HB ILE A 10 -11.262 0.587 0.283 1.00 0.93 H new ATOM 0 HG12 ILE A 10 -10.997 0.719 -2.730 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -10.621 2.092 -1.708 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -11.178 -1.541 -0.931 1.00 0.94 H new ATOM 0 HG22 ILE A 10 -12.787 -1.247 -0.230 1.00 0.94 H new ATOM 0 HG23 ILE A 10 -12.517 -1.000 -1.972 1.00 0.94 H new ATOM 0 HD11 ILE A 10 -8.602 0.843 -2.276 1.00 0.84 H new ATOM 0 HD12 ILE A 10 -8.915 0.762 -0.526 1.00 0.84 H new ATOM 0 HD13 ILE A 10 -9.297 -0.632 -1.563 1.00 0.84 H new ATOM 154 N HIS A 11 -14.949 0.387 -0.041 1.00 1.13 N ATOM 155 CA HIS A 11 -15.944 -0.069 0.911 1.00 1.17 C ATOM 156 C HIS A 11 -15.546 -1.430 1.478 1.00 1.10 C ATOM 157 O HIS A 11 -14.848 -2.205 0.822 1.00 1.08 O ATOM 158 CB HIS A 11 -17.303 -0.164 0.218 1.00 1.31 C ATOM 159 CG HIS A 11 -17.917 1.164 -0.102 1.00 1.40 C ATOM 160 ND1 HIS A 11 -17.512 2.399 0.256 1.00 1.57 N flip ATOM 161 CD2 HIS A 11 -19.058 1.266 -0.859 1.00 1.41 C flip ATOM 162 CE1 HIS A 11 -18.408 3.284 -0.281 1.00 1.64 C flip ATOM 163 NE2 HIS A 11 -19.318 2.559 -0.942 1.00 1.54 N flip ATOM 0 H HIS A 11 -15.160 0.153 -1.011 1.00 1.13 H new ATOM 0 HA HIS A 11 -16.008 0.643 1.734 1.00 1.17 H new ATOM 0 HB2 HIS A 11 -17.190 -0.732 -0.705 1.00 1.31 H new ATOM 0 HB3 HIS A 11 -17.986 -0.725 0.856 1.00 1.31 H new ATOM 0 HD2 HIS A 11 -19.625 0.457 -1.296 1.00 1.41 H new ATOM 0 HE1 HIS A 11 -18.385 4.360 -0.189 1.00 1.64 H new ATOM 0 HE2 HIS A 11 -20.112 2.954 -1.446 1.00 1.54 H new ATOM 171 N ARG A 12 -15.980 -1.710 2.696 1.00 1.10 N ATOM 172 CA ARG A 12 -15.675 -2.962 3.352 1.00 1.06 C ATOM 173 C ARG A 12 -16.496 -4.109 2.761 1.00 1.10 C ATOM 174 O ARG A 12 -17.690 -3.959 2.490 1.00 1.17 O ATOM 175 CB ARG A 12 -15.952 -2.819 4.848 1.00 1.08 C ATOM 176 CG ARG A 12 -17.392 -2.469 5.179 1.00 1.15 C ATOM 177 CD ARG A 12 -17.641 -2.633 6.659 1.00 1.20 C ATOM 178 NE ARG A 12 -18.995 -2.251 7.056 1.00 1.31 N ATOM 179 CZ ARG A 12 -19.392 -2.142 8.326 1.00 1.44 C ATOM 180 NH1 ARG A 12 -18.535 -2.371 9.316 1.00 1.51 N ATOM 181 NH2 ARG A 12 -20.641 -1.796 8.601 1.00 1.56 N ATOM 0 H ARG A 12 -16.552 -1.075 3.253 1.00 1.10 H new ATOM 0 HA ARG A 12 -14.623 -3.199 3.195 1.00 1.06 H new ATOM 0 HB2 ARG A 12 -15.692 -3.753 5.346 1.00 1.08 H new ATOM 0 HB3 ARG A 12 -15.298 -2.048 5.256 1.00 1.08 H new ATOM 0 HG2 ARG A 12 -17.603 -1.443 4.879 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -18.069 -3.111 4.615 1.00 1.15 H new ATOM 0 HD2 ARG A 12 -17.466 -3.672 6.938 1.00 1.20 H new ATOM 0 HD3 ARG A 12 -16.922 -2.029 7.212 1.00 1.20 H new ATOM 0 HE ARG A 12 -19.675 -2.057 6.321 1.00 1.31 H new ATOM 0 HH11 ARG A 12 -17.571 -2.631 9.106 1.00 1.51 H new ATOM 0 HH12 ARG A 12 -18.841 -2.287 10.285 1.00 1.51 H new ATOM 0 HH21 ARG A 12 -21.298 -1.613 7.843 1.00 1.56 H new ATOM 0 HH22 ARG A 12 -20.945 -1.712 9.571 1.00 1.56 H new ATOM 256 N TYR A 17 -11.123 -5.884 1.633 1.00 0.70 N ATOM 257 CA TYR A 17 -11.486 -4.736 0.816 1.00 0.74 C ATOM 258 C TYR A 17 -11.423 -5.113 -0.653 1.00 0.83 C ATOM 259 O TYR A 17 -11.797 -4.335 -1.534 1.00 0.92 O ATOM 260 CB TYR A 17 -10.569 -3.552 1.105 1.00 0.70 C ATOM 261 CG TYR A 17 -10.701 -3.040 2.516 1.00 0.66 C ATOM 262 CD1 TYR A 17 -11.700 -2.142 2.863 1.00 0.73 C ATOM 263 CD2 TYR A 17 -9.831 -3.470 3.498 1.00 0.60 C ATOM 264 CE1 TYR A 17 -11.824 -1.685 4.159 1.00 0.74 C ATOM 265 CE2 TYR A 17 -9.944 -3.023 4.795 1.00 0.61 C ATOM 266 CZ TYR A 17 -10.944 -2.128 5.123 1.00 0.69 C ATOM 267 OH TYR A 17 -11.066 -1.671 6.416 1.00 0.73 O ATOM 0 HA TYR A 17 -12.505 -4.438 1.064 1.00 0.74 H new ATOM 0 HB2 TYR A 17 -9.535 -3.847 0.926 1.00 0.70 H new ATOM 0 HB3 TYR A 17 -10.795 -2.745 0.408 1.00 0.70 H new ATOM 0 HD1 TYR A 17 -12.390 -1.796 2.108 1.00 0.73 H new ATOM 0 HD2 TYR A 17 -9.048 -4.169 3.244 1.00 0.60 H new ATOM 0 HE1 TYR A 17 -12.605 -0.985 4.416 1.00 0.74 H new ATOM 0 HE2 TYR A 17 -9.255 -3.370 5.551 1.00 0.61 H new ATOM 0 HH TYR A 17 -10.327 -1.060 6.618 1.00 0.73 H new ATOM 277 N GLY A 18 -10.929 -6.312 -0.912 1.00 0.83 N ATOM 278 CA GLY A 18 -10.859 -6.794 -2.267 1.00 0.95 C ATOM 279 C GLY A 18 -9.510 -6.624 -2.915 1.00 0.92 C ATOM 280 O GLY A 18 -9.404 -6.710 -4.135 1.00 1.03 O ATOM 0 H GLY A 18 -10.576 -6.958 -0.206 1.00 0.83 H new ATOM 0 HA2 GLY A 18 -11.124 -7.851 -2.279 1.00 0.95 H new ATOM 0 HA3 GLY A 18 -11.605 -6.271 -2.865 1.00 0.95 H new ATOM 284 N PHE A 19 -8.483 -6.359 -2.136 1.00 0.79 N ATOM 285 CA PHE A 19 -7.159 -6.211 -2.721 1.00 0.79 C ATOM 286 C PHE A 19 -6.055 -6.768 -1.851 1.00 0.72 C ATOM 287 O PHE A 19 -6.233 -7.074 -0.667 1.00 0.65 O ATOM 288 CB PHE A 19 -6.843 -4.757 -3.088 1.00 0.80 C ATOM 289 CG PHE A 19 -6.556 -3.839 -1.928 1.00 0.71 C ATOM 290 CD1 PHE A 19 -7.583 -3.207 -1.243 1.00 0.70 C ATOM 291 CD2 PHE A 19 -5.247 -3.588 -1.541 1.00 0.67 C ATOM 292 CE1 PHE A 19 -7.308 -2.344 -0.197 1.00 0.64 C ATOM 293 CE2 PHE A 19 -4.968 -2.732 -0.495 1.00 0.59 C ATOM 294 CZ PHE A 19 -5.999 -2.109 0.178 1.00 0.58 C ATOM 0 H PHE A 19 -8.530 -6.243 -1.124 1.00 0.79 H new ATOM 0 HA PHE A 19 -7.192 -6.804 -3.635 1.00 0.79 H new ATOM 0 HB2 PHE A 19 -5.982 -4.749 -3.756 1.00 0.80 H new ATOM 0 HB3 PHE A 19 -7.685 -4.352 -3.649 1.00 0.80 H new ATOM 0 HD1 PHE A 19 -8.608 -3.390 -1.529 1.00 0.70 H new ATOM 0 HD2 PHE A 19 -4.435 -4.069 -2.066 1.00 0.67 H new ATOM 0 HE1 PHE A 19 -8.116 -1.854 0.326 1.00 0.64 H new ATOM 0 HE2 PHE A 19 -3.944 -2.550 -0.204 1.00 0.59 H new ATOM 0 HZ PHE A 19 -5.783 -1.439 0.997 1.00 0.58 H new ATOM 304 N THR A 20 -4.909 -6.875 -2.483 1.00 0.76 N ATOM 305 CA THR A 20 -3.702 -7.383 -1.858 1.00 0.74 C ATOM 306 C THR A 20 -2.700 -6.268 -1.646 1.00 0.71 C ATOM 307 O THR A 20 -2.284 -5.610 -2.598 1.00 0.80 O ATOM 308 CB THR A 20 -3.037 -8.454 -2.737 1.00 0.87 C ATOM 309 OG1 THR A 20 -3.974 -9.498 -3.024 1.00 0.92 O ATOM 310 CG2 THR A 20 -1.789 -9.040 -2.070 1.00 0.89 C ATOM 0 H THR A 20 -4.784 -6.609 -3.460 1.00 0.76 H new ATOM 0 HA THR A 20 -3.994 -7.815 -0.901 1.00 0.74 H new ATOM 0 HB THR A 20 -2.724 -7.977 -3.666 1.00 0.87 H new ATOM 0 HG1 THR A 20 -3.545 -10.177 -3.586 1.00 0.92 H new ATOM 0 HG21 THR A 20 -1.348 -9.793 -2.722 1.00 0.89 H new ATOM 0 HG22 THR A 20 -1.065 -8.245 -1.891 1.00 0.89 H new ATOM 0 HG23 THR A 20 -2.065 -9.499 -1.121 1.00 0.89 H new ATOM 318 N LEU A 21 -2.317 -6.052 -0.410 1.00 0.61 N ATOM 319 CA LEU A 21 -1.340 -5.038 -0.101 1.00 0.60 C ATOM 320 C LEU A 21 0.010 -5.716 0.027 1.00 0.67 C ATOM 321 O LEU A 21 0.161 -6.672 0.790 1.00 0.65 O ATOM 322 CB LEU A 21 -1.713 -4.296 1.182 1.00 0.47 C ATOM 323 CG LEU A 21 -0.767 -3.164 1.583 1.00 0.47 C ATOM 324 CD1 LEU A 21 -0.665 -2.132 0.472 1.00 0.52 C ATOM 325 CD2 LEU A 21 -1.238 -2.518 2.873 1.00 0.39 C ATOM 0 H LEU A 21 -2.668 -6.566 0.398 1.00 0.61 H new ATOM 0 HA LEU A 21 -1.305 -4.293 -0.896 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -2.716 -3.885 1.065 1.00 0.47 H new ATOM 0 HB3 LEU A 21 -1.757 -5.017 1.999 1.00 0.47 H new ATOM 0 HG LEU A 21 0.225 -3.583 1.748 1.00 0.47 H new ATOM 0 HD11 LEU A 21 0.013 -1.335 0.777 1.00 0.52 H new ATOM 0 HD12 LEU A 21 -0.283 -2.607 -0.432 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -1.651 -1.713 0.273 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -0.556 -1.714 3.147 1.00 0.39 H new ATOM 0 HD22 LEU A 21 -2.240 -2.112 2.732 1.00 0.39 H new ATOM 0 HD23 LEU A 21 -1.258 -3.264 3.667 1.00 0.39 H new ATOM 337 N ARG A 22 0.977 -5.263 -0.743 1.00 0.79 N ATOM 338 CA ARG A 22 2.290 -5.863 -0.712 1.00 0.89 C ATOM 339 C ARG A 22 3.358 -4.854 -0.338 1.00 0.90 C ATOM 340 O ARG A 22 3.410 -3.743 -0.869 1.00 0.94 O ATOM 341 CB ARG A 22 2.614 -6.503 -2.059 1.00 1.03 C ATOM 342 CG ARG A 22 1.954 -7.853 -2.264 1.00 1.03 C ATOM 343 CD ARG A 22 2.885 -8.804 -2.997 1.00 1.21 C ATOM 344 NE ARG A 22 4.293 -8.577 -2.653 1.00 1.31 N ATOM 345 CZ ARG A 22 5.317 -8.960 -3.416 1.00 1.47 C ATOM 346 NH1 ARG A 22 5.103 -9.651 -4.527 1.00 1.60 N ATOM 347 NH2 ARG A 22 6.559 -8.664 -3.055 1.00 1.66 N ATOM 0 H ARG A 22 0.878 -4.485 -1.395 1.00 0.79 H new ATOM 0 HA ARG A 22 2.281 -6.636 0.056 1.00 0.89 H new ATOM 0 HB2 ARG A 22 2.300 -5.830 -2.857 1.00 1.03 H new ATOM 0 HB3 ARG A 22 3.694 -6.619 -2.146 1.00 1.03 H new ATOM 0 HG2 ARG A 22 1.679 -8.278 -1.299 1.00 1.03 H new ATOM 0 HG3 ARG A 22 1.032 -7.729 -2.832 1.00 1.03 H new ATOM 0 HD2 ARG A 22 2.615 -9.832 -2.755 1.00 1.21 H new ATOM 0 HD3 ARG A 22 2.752 -8.684 -4.072 1.00 1.21 H new ATOM 0 HE ARG A 22 4.501 -8.097 -1.777 1.00 1.31 H new ATOM 0 HH11 ARG A 22 4.151 -9.892 -4.802 1.00 1.60 H new ATOM 0 HH12 ARG A 22 5.890 -9.941 -5.107 1.00 1.60 H new ATOM 0 HH21 ARG A 22 6.730 -8.144 -2.194 1.00 1.66 H new ATOM 0 HH22 ARG A 22 7.343 -8.957 -3.638 1.00 1.66 H new ATOM 361 N ALA A 23 4.203 -5.265 0.584 1.00 0.90 N ATOM 362 CA ALA A 23 5.296 -4.446 1.060 1.00 0.92 C ATOM 363 C ALA A 23 6.540 -4.736 0.239 1.00 1.06 C ATOM 364 O ALA A 23 7.191 -5.766 0.437 1.00 1.07 O ATOM 365 CB ALA A 23 5.551 -4.736 2.531 1.00 0.90 C ATOM 0 H ALA A 23 4.150 -6.182 1.027 1.00 0.90 H new ATOM 0 HA ALA A 23 5.039 -3.392 0.952 1.00 0.92 H new ATOM 0 HB1 ALA A 23 6.375 -4.117 2.886 1.00 0.90 H new ATOM 0 HB2 ALA A 23 4.654 -4.511 3.107 1.00 0.90 H new ATOM 0 HB3 ALA A 23 5.807 -5.788 2.655 1.00 0.90 H new ATOM 371 N ILE A 24 6.845 -3.853 -0.699 1.00 1.19 N ATOM 372 CA ILE A 24 8.009 -4.021 -1.554 1.00 1.33 C ATOM 373 C ILE A 24 9.203 -3.276 -0.976 1.00 1.38 C ATOM 374 O ILE A 24 9.094 -2.117 -0.576 1.00 1.29 O ATOM 375 CB ILE A 24 7.745 -3.551 -3.005 1.00 1.38 C ATOM 376 CG1 ILE A 24 7.060 -2.181 -3.023 1.00 1.29 C ATOM 377 CG2 ILE A 24 6.904 -4.580 -3.749 1.00 1.42 C ATOM 378 CD1 ILE A 24 7.167 -1.464 -4.350 1.00 1.35 C ATOM 0 H ILE A 24 6.301 -3.011 -0.888 1.00 1.19 H new ATOM 0 HA ILE A 24 8.228 -5.088 -1.590 1.00 1.33 H new ATOM 0 HB ILE A 24 8.705 -3.453 -3.511 1.00 1.38 H new ATOM 0 HG12 ILE A 24 6.007 -2.308 -2.773 1.00 1.29 H new ATOM 0 HG13 ILE A 24 7.499 -1.555 -2.246 1.00 1.29 H new ATOM 0 HG21 ILE A 24 6.726 -4.236 -4.768 1.00 1.42 H new ATOM 0 HG22 ILE A 24 7.433 -5.533 -3.774 1.00 1.42 H new ATOM 0 HG23 ILE A 24 5.950 -4.708 -3.238 1.00 1.42 H new ATOM 0 HD11 ILE A 24 6.659 -0.502 -4.286 1.00 1.35 H new ATOM 0 HD12 ILE A 24 8.217 -1.304 -4.593 1.00 1.35 H new ATOM 0 HD13 ILE A 24 6.702 -2.069 -5.129 1.00 1.35 H new ATOM 561 N VAL A 36 11.084 0.850 1.995 1.00 1.22 N ATOM 562 CA VAL A 36 9.926 -0.026 2.007 1.00 1.15 C ATOM 563 C VAL A 36 8.682 0.731 1.550 1.00 1.08 C ATOM 564 O VAL A 36 8.289 1.730 2.155 1.00 1.07 O ATOM 565 CB VAL A 36 9.699 -0.661 3.403 1.00 1.11 C ATOM 566 CG1 VAL A 36 9.678 0.397 4.500 1.00 1.09 C ATOM 567 CG2 VAL A 36 8.417 -1.485 3.424 1.00 1.04 C ATOM 0 HA VAL A 36 10.119 -0.840 1.308 1.00 1.15 H new ATOM 0 HB VAL A 36 10.538 -1.328 3.601 1.00 1.11 H new ATOM 0 HG11 VAL A 36 9.517 -0.083 5.465 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.630 0.927 4.513 1.00 1.09 H new ATOM 0 HG13 VAL A 36 8.872 1.105 4.308 1.00 1.09 H new ATOM 0 HG21 VAL A 36 8.280 -1.920 4.414 1.00 1.04 H new ATOM 0 HG22 VAL A 36 7.568 -0.843 3.189 1.00 1.04 H new ATOM 0 HG23 VAL A 36 8.485 -2.282 2.684 1.00 1.04 H new ATOM 577 N HIS A 37 8.091 0.271 0.460 1.00 1.06 N ATOM 578 CA HIS A 37 6.901 0.898 -0.082 1.00 1.01 C ATOM 579 C HIS A 37 5.700 -0.019 0.079 1.00 0.93 C ATOM 580 O HIS A 37 5.835 -1.244 0.079 1.00 0.97 O ATOM 581 CB HIS A 37 7.086 1.229 -1.564 1.00 1.10 C ATOM 582 CG HIS A 37 8.082 2.315 -1.849 1.00 1.18 C ATOM 583 ND1 HIS A 37 7.683 3.588 -2.183 1.00 1.25 N ATOM 584 CD2 HIS A 37 9.434 2.256 -1.876 1.00 1.26 C ATOM 585 CE1 HIS A 37 8.794 4.267 -2.407 1.00 1.33 C ATOM 586 NE2 HIS A 37 9.879 3.504 -2.235 1.00 1.34 N ATOM 0 H HIS A 37 8.419 -0.538 -0.068 1.00 1.06 H new ATOM 0 HA HIS A 37 6.730 1.822 0.470 1.00 1.01 H new ATOM 0 HB2 HIS A 37 7.397 0.325 -2.087 1.00 1.10 H new ATOM 0 HB3 HIS A 37 6.122 1.522 -1.979 1.00 1.10 H new ATOM 0 HD2 HIS A 37 10.045 1.393 -1.657 1.00 1.26 H new ATOM 0 HE1 HIS A 37 8.823 5.308 -2.693 1.00 1.33 H new ATOM 0 HE2 HIS A 37 10.850 3.794 -2.349 1.00 1.34 H new ATOM 594 N HIS A 38 4.530 0.579 0.203 1.00 0.82 N ATOM 595 CA HIS A 38 3.295 -0.174 0.353 1.00 0.74 C ATOM 596 C HIS A 38 2.491 -0.055 -0.932 1.00 0.78 C ATOM 597 O HIS A 38 1.858 0.970 -1.195 1.00 0.77 O ATOM 598 CB HIS A 38 2.493 0.339 1.556 1.00 0.62 C ATOM 599 CG HIS A 38 3.255 0.270 2.846 1.00 0.59 C ATOM 600 ND1 HIS A 38 3.516 -0.932 3.466 1.00 0.60 N ATOM 601 CD2 HIS A 38 3.811 1.270 3.574 1.00 0.59 C ATOM 602 CE1 HIS A 38 4.224 -0.637 4.542 1.00 0.61 C ATOM 603 NE2 HIS A 38 4.426 0.683 4.650 1.00 0.60 N ATOM 0 H HIS A 38 4.407 1.592 0.203 1.00 0.82 H new ATOM 0 HA HIS A 38 3.523 -1.224 0.538 1.00 0.74 H new ATOM 0 HB2 HIS A 38 2.195 1.371 1.372 1.00 0.62 H new ATOM 0 HB3 HIS A 38 1.578 -0.245 1.650 1.00 0.62 H new ATOM 0 HD2 HIS A 38 3.776 2.326 3.349 1.00 0.59 H new ATOM 0 HE1 HIS A 38 4.593 -1.368 5.246 1.00 0.61 H new ATOM 0 HE2 HIS A 38 4.939 1.160 5.391 1.00 0.60 H new ATOM 611 N MET A 39 2.530 -1.099 -1.739 1.00 0.84 N ATOM 612 CA MET A 39 1.845 -1.093 -3.016 1.00 0.91 C ATOM 613 C MET A 39 0.814 -2.207 -3.116 1.00 0.88 C ATOM 614 O MET A 39 1.045 -3.330 -2.671 1.00 0.87 O ATOM 615 CB MET A 39 2.870 -1.234 -4.152 1.00 1.05 C ATOM 616 CG MET A 39 2.279 -1.737 -5.464 1.00 1.11 C ATOM 617 SD MET A 39 2.666 -3.468 -5.793 1.00 1.16 S ATOM 618 CE MET A 39 4.141 -3.289 -6.785 1.00 1.33 C ATOM 0 H MET A 39 3.030 -1.963 -1.531 1.00 0.84 H new ATOM 0 HA MET A 39 1.316 -0.144 -3.103 1.00 0.91 H new ATOM 0 HB2 MET A 39 3.340 -0.266 -4.325 1.00 1.05 H new ATOM 0 HB3 MET A 39 3.657 -1.918 -3.834 1.00 1.05 H new ATOM 0 HG2 MET A 39 1.197 -1.610 -5.441 1.00 1.11 H new ATOM 0 HG3 MET A 39 2.654 -1.124 -6.284 1.00 1.11 H new ATOM 0 HE1 MET A 39 4.745 -4.192 -6.705 1.00 1.33 H new ATOM 0 HE2 MET A 39 3.862 -3.131 -7.827 1.00 1.33 H new ATOM 0 HE3 MET A 39 4.717 -2.434 -6.430 1.00 1.33 H new ATOM 628 N VAL A 40 -0.340 -1.871 -3.669 1.00 0.87 N ATOM 629 CA VAL A 40 -1.387 -2.846 -3.896 1.00 0.87 C ATOM 630 C VAL A 40 -0.928 -3.745 -5.045 1.00 1.00 C ATOM 631 O VAL A 40 -0.681 -3.271 -6.150 1.00 1.10 O ATOM 632 CB VAL A 40 -2.734 -2.156 -4.224 1.00 0.87 C ATOM 633 CG1 VAL A 40 -2.500 -0.862 -4.983 1.00 0.94 C ATOM 634 CG2 VAL A 40 -3.656 -3.074 -5.013 1.00 0.93 C ATOM 0 H VAL A 40 -0.573 -0.925 -3.969 1.00 0.87 H new ATOM 0 HA VAL A 40 -1.558 -3.438 -2.997 1.00 0.87 H new ATOM 0 HB VAL A 40 -3.224 -1.925 -3.278 1.00 0.87 H new ATOM 0 HG11 VAL A 40 -3.458 -0.392 -5.204 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -1.897 -0.188 -4.375 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.977 -1.076 -5.915 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -4.591 -2.556 -5.225 1.00 0.93 H new ATOM 0 HG22 VAL A 40 -3.176 -3.354 -5.951 1.00 0.93 H new ATOM 0 HG23 VAL A 40 -3.862 -3.971 -4.429 1.00 0.93 H new ATOM 644 N TRP A 41 -0.798 -5.028 -4.768 1.00 1.00 N ATOM 645 CA TRP A 41 -0.299 -5.981 -5.753 1.00 1.13 C ATOM 646 C TRP A 41 -1.390 -6.512 -6.671 1.00 1.19 C ATOM 647 O TRP A 41 -1.138 -6.777 -7.846 1.00 1.30 O ATOM 648 CB TRP A 41 0.383 -7.135 -5.028 1.00 1.14 C ATOM 649 CG TRP A 41 0.956 -8.179 -5.937 1.00 1.32 C ATOM 650 CD1 TRP A 41 0.419 -9.399 -6.226 1.00 1.39 C ATOM 651 CD2 TRP A 41 2.187 -8.099 -6.663 1.00 1.46 C ATOM 652 NE1 TRP A 41 1.238 -10.079 -7.094 1.00 1.56 N ATOM 653 CE2 TRP A 41 2.332 -9.304 -7.374 1.00 1.61 C ATOM 654 CE3 TRP A 41 3.182 -7.125 -6.778 1.00 1.50 C ATOM 655 CZ2 TRP A 41 3.428 -9.555 -8.195 1.00 1.78 C ATOM 656 CZ3 TRP A 41 4.268 -7.376 -7.592 1.00 1.69 C ATOM 657 CH2 TRP A 41 4.386 -8.585 -8.289 1.00 1.82 C ATOM 0 H TRP A 41 -1.031 -5.441 -3.865 1.00 1.00 H new ATOM 0 HA TRP A 41 0.412 -5.455 -6.390 1.00 1.13 H new ATOM 0 HB2 TRP A 41 1.182 -6.735 -4.403 1.00 1.14 H new ATOM 0 HB3 TRP A 41 -0.338 -7.607 -4.360 1.00 1.14 H new ATOM 0 HD1 TRP A 41 -0.513 -9.775 -5.831 1.00 1.39 H new ATOM 0 HE1 TRP A 41 1.060 -11.011 -7.469 1.00 1.56 H new ATOM 0 HE3 TRP A 41 3.103 -6.192 -6.239 1.00 1.50 H new ATOM 0 HZ2 TRP A 41 3.518 -10.484 -8.739 1.00 1.78 H new ATOM 0 HZ3 TRP A 41 5.040 -6.627 -7.693 1.00 1.69 H new ATOM 0 HH2 TRP A 41 5.251 -8.754 -8.913 1.00 1.82 H new ATOM 668 N HIS A 42 -2.594 -6.662 -6.152 1.00 1.12 N ATOM 669 CA HIS A 42 -3.690 -7.182 -6.955 1.00 1.19 C ATOM 670 C HIS A 42 -5.022 -6.707 -6.405 1.00 1.12 C ATOM 671 O HIS A 42 -5.135 -6.402 -5.218 1.00 1.01 O ATOM 672 CB HIS A 42 -3.642 -8.717 -6.967 1.00 1.23 C ATOM 673 CG HIS A 42 -4.484 -9.352 -8.034 1.00 1.31 C ATOM 674 ND1 HIS A 42 -5.817 -9.628 -7.829 1.00 1.33 N ATOM 675 CD2 HIS A 42 -4.144 -9.731 -9.287 1.00 1.40 C ATOM 676 CE1 HIS A 42 -6.253 -10.162 -8.958 1.00 1.42 C ATOM 677 NE2 HIS A 42 -5.275 -10.243 -9.869 1.00 1.46 N ATOM 0 H HIS A 42 -2.839 -6.435 -5.188 1.00 1.12 H new ATOM 0 HA HIS A 42 -3.585 -6.812 -7.975 1.00 1.19 H new ATOM 0 HB2 HIS A 42 -2.608 -9.036 -7.099 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -3.968 -9.087 -5.995 1.00 1.23 H new ATOM 0 HD2 HIS A 42 -3.168 -9.647 -9.742 1.00 1.40 H new ATOM 0 HE1 HIS A 42 -7.268 -10.491 -9.124 1.00 1.42 H new ATOM 0 HE2 HIS A 42 -5.356 -10.615 -10.815 1.00 1.46 H new ATOM 685 N VAL A 43 -6.013 -6.630 -7.279 1.00 1.20 N ATOM 686 CA VAL A 43 -7.350 -6.205 -6.902 1.00 1.18 C ATOM 687 C VAL A 43 -8.373 -7.175 -7.485 1.00 1.24 C ATOM 688 O VAL A 43 -8.389 -7.404 -8.697 1.00 1.37 O ATOM 689 CB VAL A 43 -7.669 -4.779 -7.411 1.00 1.21 C ATOM 690 CG1 VAL A 43 -9.002 -4.299 -6.864 1.00 1.20 C ATOM 691 CG2 VAL A 43 -6.563 -3.803 -7.039 1.00 1.14 C ATOM 0 H VAL A 43 -5.913 -6.860 -8.268 1.00 1.20 H new ATOM 0 HA VAL A 43 -7.399 -6.197 -5.813 1.00 1.18 H new ATOM 0 HB VAL A 43 -7.734 -4.821 -8.498 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -9.207 -3.294 -7.234 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -9.793 -4.974 -7.190 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -8.964 -4.283 -5.775 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -6.815 -2.809 -7.410 1.00 1.14 H new ATOM 0 HG22 VAL A 43 -6.457 -3.770 -5.955 1.00 1.14 H new ATOM 0 HG23 VAL A 43 -5.624 -4.130 -7.486 1.00 1.14 H new ATOM 701 N GLU A 44 -9.205 -7.753 -6.624 1.00 1.17 N ATOM 702 CA GLU A 44 -10.223 -8.687 -7.039 1.00 1.23 C ATOM 703 C GLU A 44 -11.100 -8.085 -8.136 1.00 1.34 C ATOM 704 O GLU A 44 -11.573 -6.952 -8.013 1.00 1.35 O ATOM 705 CB GLU A 44 -11.065 -9.061 -5.827 1.00 1.16 C ATOM 706 CG GLU A 44 -10.273 -9.695 -4.691 1.00 1.11 C ATOM 707 CD GLU A 44 -9.581 -10.982 -5.092 1.00 1.19 C ATOM 708 OE1 GLU A 44 -10.238 -11.853 -5.707 1.00 1.17 O ATOM 709 OE2 GLU A 44 -8.383 -11.140 -4.782 1.00 1.54 O ATOM 0 H GLU A 44 -9.185 -7.581 -5.619 1.00 1.17 H new ATOM 0 HA GLU A 44 -9.751 -9.579 -7.449 1.00 1.23 H new ATOM 0 HB2 GLU A 44 -11.562 -8.166 -5.453 1.00 1.16 H new ATOM 0 HB3 GLU A 44 -11.847 -9.753 -6.141 1.00 1.16 H new ATOM 0 HG2 GLU A 44 -9.527 -8.984 -4.336 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -10.945 -9.896 -3.856 1.00 1.11 H new ATOM 716 N ASP A 45 -11.305 -8.846 -9.205 1.00 1.44 N ATOM 717 CA ASP A 45 -12.111 -8.394 -10.339 1.00 1.55 C ATOM 718 C ASP A 45 -13.527 -8.055 -9.903 1.00 1.55 C ATOM 719 O ASP A 45 -14.285 -8.930 -9.477 1.00 1.60 O ATOM 720 CB ASP A 45 -12.156 -9.461 -11.435 1.00 1.69 C ATOM 721 CG ASP A 45 -10.875 -9.530 -12.238 1.00 1.81 C ATOM 722 OD1 ASP A 45 -10.705 -8.717 -13.173 1.00 1.94 O ATOM 723 OD2 ASP A 45 -10.037 -10.408 -11.947 1.00 1.92 O ATOM 0 H ASP A 45 -10.922 -9.785 -9.313 1.00 1.44 H new ATOM 0 HA ASP A 45 -11.640 -7.495 -10.736 1.00 1.55 H new ATOM 0 HB2 ASP A 45 -12.348 -10.433 -10.982 1.00 1.69 H new ATOM 0 HB3 ASP A 45 -12.989 -9.252 -12.106 1.00 1.69 H new ATOM 728 N GLY A 46 -13.874 -6.778 -9.998 1.00 1.54 N ATOM 729 CA GLY A 46 -15.198 -6.336 -9.613 1.00 1.56 C ATOM 730 C GLY A 46 -15.349 -6.181 -8.111 1.00 1.46 C ATOM 731 O GLY A 46 -16.465 -6.052 -7.604 1.00 1.49 O ATOM 0 H GLY A 46 -13.258 -6.038 -10.336 1.00 1.54 H new ATOM 0 HA2 GLY A 46 -15.413 -5.383 -10.096 1.00 1.56 H new ATOM 0 HA3 GLY A 46 -15.936 -7.051 -9.976 1.00 1.56 H new ATOM 735 N GLY A 47 -14.226 -6.198 -7.398 1.00 1.37 N ATOM 736 CA GLY A 47 -14.252 -6.059 -5.955 1.00 1.28 C ATOM 737 C GLY A 47 -14.480 -4.622 -5.525 1.00 1.27 C ATOM 738 O GLY A 47 -14.536 -3.728 -6.367 1.00 1.33 O ATOM 0 H GLY A 47 -13.294 -6.306 -7.798 1.00 1.37 H new ATOM 0 HA2 GLY A 47 -15.041 -6.689 -5.544 1.00 1.28 H new ATOM 0 HA3 GLY A 47 -13.310 -6.416 -5.540 1.00 1.28 H new ATOM 742 N PRO A 48 -14.579 -4.366 -4.215 1.00 1.20 N ATOM 743 CA PRO A 48 -14.819 -3.026 -3.671 1.00 1.20 C ATOM 744 C PRO A 48 -13.745 -2.061 -4.098 1.00 1.16 C ATOM 745 O PRO A 48 -14.021 -0.973 -4.597 1.00 1.21 O ATOM 746 CB PRO A 48 -14.730 -3.253 -2.167 1.00 1.13 C ATOM 747 CG PRO A 48 -15.101 -4.660 -2.002 1.00 1.13 C ATOM 748 CD PRO A 48 -14.434 -5.349 -3.137 1.00 1.13 C ATOM 0 HA PRO A 48 -15.764 -2.599 -4.007 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -13.725 -3.058 -1.792 1.00 1.13 H new ATOM 0 HB3 PRO A 48 -15.407 -2.595 -1.623 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -14.761 -5.052 -1.043 1.00 1.13 H new ATOM 0 HG3 PRO A 48 -16.182 -4.793 -2.035 1.00 1.13 H new ATOM 0 HD2 PRO A 48 -13.388 -5.569 -2.923 1.00 1.13 H new ATOM 0 HD3 PRO A 48 -14.916 -6.296 -3.380 1.00 1.13 H new ATOM 756 N ALA A 49 -12.512 -2.480 -3.889 1.00 1.09 N ATOM 757 CA ALA A 49 -11.361 -1.669 -4.259 1.00 1.06 C ATOM 758 C ALA A 49 -11.346 -1.404 -5.755 1.00 1.16 C ATOM 759 O ALA A 49 -10.983 -0.316 -6.199 1.00 1.19 O ATOM 760 CB ALA A 49 -10.066 -2.340 -3.820 1.00 0.97 C ATOM 0 H ALA A 49 -12.278 -3.378 -3.465 1.00 1.09 H new ATOM 0 HA ALA A 49 -11.442 -0.711 -3.745 1.00 1.06 H new ATOM 0 HB1 ALA A 49 -9.218 -1.717 -4.106 1.00 0.97 H new ATOM 0 HB2 ALA A 49 -10.072 -2.469 -2.738 1.00 0.97 H new ATOM 0 HB3 ALA A 49 -9.980 -3.314 -4.301 1.00 0.97 H new ATOM 766 N SER A 50 -11.765 -2.396 -6.519 1.00 1.23 N ATOM 767 CA SER A 50 -11.832 -2.276 -7.965 1.00 1.34 C ATOM 768 C SER A 50 -12.865 -1.220 -8.338 1.00 1.40 C ATOM 769 O SER A 50 -12.689 -0.450 -9.282 1.00 1.46 O ATOM 770 CB SER A 50 -12.227 -3.617 -8.568 1.00 1.41 C ATOM 771 OG SER A 50 -11.398 -3.959 -9.663 1.00 1.45 O ATOM 0 H SER A 50 -12.067 -3.301 -6.159 1.00 1.23 H new ATOM 0 HA SER A 50 -10.857 -1.980 -8.353 1.00 1.34 H new ATOM 0 HB2 SER A 50 -12.162 -4.393 -7.805 1.00 1.41 H new ATOM 0 HB3 SER A 50 -13.266 -3.578 -8.895 1.00 1.41 H new ATOM 0 HG SER A 50 -11.677 -4.826 -10.026 1.00 1.45 H new ATOM 777 N GLU A 51 -13.944 -1.197 -7.567 1.00 1.39 N ATOM 778 CA GLU A 51 -15.036 -0.249 -7.771 1.00 1.46 C ATOM 779 C GLU A 51 -14.621 1.142 -7.323 1.00 1.45 C ATOM 780 O GLU A 51 -15.103 2.152 -7.837 1.00 1.55 O ATOM 781 CB GLU A 51 -16.276 -0.682 -6.988 1.00 1.47 C ATOM 782 CG GLU A 51 -16.829 -2.032 -7.402 1.00 1.50 C ATOM 783 CD GLU A 51 -18.286 -2.188 -7.030 1.00 1.58 C ATOM 784 OE1 GLU A 51 -19.077 -1.273 -7.331 1.00 1.84 O ATOM 785 OE2 GLU A 51 -18.650 -3.225 -6.437 1.00 1.55 O ATOM 0 H GLU A 51 -14.089 -1.833 -6.783 1.00 1.39 H new ATOM 0 HA GLU A 51 -15.272 -0.230 -8.835 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -16.030 -0.712 -5.927 1.00 1.47 H new ATOM 0 HB3 GLU A 51 -17.054 0.071 -7.114 1.00 1.47 H new ATOM 0 HG2 GLU A 51 -16.715 -2.155 -8.479 1.00 1.50 H new ATOM 0 HG3 GLU A 51 -16.247 -2.822 -6.928 1.00 1.50 H new ATOM 792 N ALA A 52 -13.732 1.177 -6.349 1.00 1.33 N ATOM 793 CA ALA A 52 -13.230 2.420 -5.805 1.00 1.31 C ATOM 794 C ALA A 52 -12.203 3.041 -6.740 1.00 1.34 C ATOM 795 O ALA A 52 -11.958 4.246 -6.697 1.00 1.36 O ATOM 796 CB ALA A 52 -12.643 2.166 -4.432 1.00 1.20 C ATOM 0 H ALA A 52 -13.338 0.343 -5.914 1.00 1.33 H new ATOM 0 HA ALA A 52 -14.051 3.130 -5.708 1.00 1.31 H new ATOM 0 HB1 ALA A 52 -12.264 3.101 -4.020 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -13.415 1.766 -3.775 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -11.827 1.448 -4.512 1.00 1.20 H new ATOM 802 N GLY A 53 -11.603 2.212 -7.583 1.00 1.35 N ATOM 803 CA GLY A 53 -10.628 2.707 -8.525 1.00 1.39 C ATOM 804 C GLY A 53 -9.199 2.357 -8.171 1.00 1.31 C ATOM 805 O GLY A 53 -8.268 2.881 -8.780 1.00 1.33 O ATOM 0 H GLY A 53 -11.776 1.208 -7.629 1.00 1.35 H new ATOM 0 HA2 GLY A 53 -10.856 2.306 -9.513 1.00 1.39 H new ATOM 0 HA3 GLY A 53 -10.720 3.791 -8.592 1.00 1.39 H new ATOM 809 N LEU A 54 -9.010 1.494 -7.183 1.00 1.22 N ATOM 810 CA LEU A 54 -7.668 1.092 -6.781 1.00 1.14 C ATOM 811 C LEU A 54 -7.017 0.283 -7.891 1.00 1.21 C ATOM 812 O LEU A 54 -7.617 -0.639 -8.441 1.00 1.26 O ATOM 813 CB LEU A 54 -7.705 0.269 -5.495 1.00 1.04 C ATOM 814 CG LEU A 54 -6.684 0.667 -4.421 1.00 0.94 C ATOM 815 CD1 LEU A 54 -6.446 -0.478 -3.456 1.00 0.85 C ATOM 816 CD2 LEU A 54 -5.373 1.102 -5.049 1.00 0.96 C ATOM 0 H LEU A 54 -9.762 1.061 -6.648 1.00 1.22 H new ATOM 0 HA LEU A 54 -7.083 1.993 -6.595 1.00 1.14 H new ATOM 0 HB2 LEU A 54 -8.704 0.344 -5.066 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -7.546 -0.779 -5.751 1.00 1.04 H new ATOM 0 HG LEU A 54 -7.096 1.511 -3.868 1.00 0.94 H new ATOM 0 HD11 LEU A 54 -5.719 -0.174 -2.703 1.00 0.85 H new ATOM 0 HD12 LEU A 54 -7.384 -0.744 -2.968 1.00 0.85 H new ATOM 0 HD13 LEU A 54 -6.064 -1.341 -4.002 1.00 0.85 H new ATOM 0 HD21 LEU A 54 -4.668 1.378 -4.265 1.00 0.96 H new ATOM 0 HD22 LEU A 54 -4.960 0.281 -5.635 1.00 0.96 H new ATOM 0 HD23 LEU A 54 -5.548 1.960 -5.699 1.00 0.96 H new ATOM 828 N ARG A 55 -5.790 0.633 -8.209 1.00 1.21 N ATOM 829 CA ARG A 55 -5.052 -0.042 -9.260 1.00 1.28 C ATOM 830 C ARG A 55 -3.825 -0.732 -8.690 1.00 1.23 C ATOM 831 O ARG A 55 -3.065 -0.135 -7.929 1.00 1.18 O ATOM 832 CB ARG A 55 -4.642 0.965 -10.330 1.00 1.36 C ATOM 833 CG ARG A 55 -5.781 1.872 -10.762 1.00 1.41 C ATOM 834 CD ARG A 55 -6.737 1.156 -11.704 1.00 1.51 C ATOM 835 NE ARG A 55 -8.016 1.856 -11.836 1.00 1.57 N ATOM 836 CZ ARG A 55 -9.201 1.241 -11.871 1.00 1.58 C ATOM 837 NH1 ARG A 55 -9.271 -0.083 -11.771 1.00 1.55 N ATOM 838 NH2 ARG A 55 -10.314 1.954 -12.004 1.00 1.68 N ATOM 0 H ARG A 55 -5.277 1.387 -7.752 1.00 1.21 H new ATOM 0 HA ARG A 55 -5.693 -0.800 -9.710 1.00 1.28 H new ATOM 0 HB2 ARG A 55 -3.823 1.576 -9.951 1.00 1.36 H new ATOM 0 HB3 ARG A 55 -4.263 0.428 -11.200 1.00 1.36 H new ATOM 0 HG2 ARG A 55 -6.325 2.218 -9.883 1.00 1.41 H new ATOM 0 HG3 ARG A 55 -5.377 2.756 -11.255 1.00 1.41 H new ATOM 0 HD2 ARG A 55 -6.274 1.062 -12.686 1.00 1.51 H new ATOM 0 HD3 ARG A 55 -6.915 0.145 -11.338 1.00 1.51 H new ATOM 0 HE ARG A 55 -8.001 2.874 -11.905 1.00 1.57 H new ATOM 0 HH11 ARG A 55 -8.418 -0.632 -11.667 1.00 1.55 H new ATOM 0 HH12 ARG A 55 -10.178 -0.549 -11.798 1.00 1.55 H new ATOM 0 HH21 ARG A 55 -10.263 2.970 -12.079 1.00 1.68 H new ATOM 0 HH22 ARG A 55 -11.220 1.485 -12.031 1.00 1.68 H new ATOM 852 N GLN A 56 -3.647 -1.993 -9.049 1.00 1.29 N ATOM 853 CA GLN A 56 -2.507 -2.760 -8.567 1.00 1.27 C ATOM 854 C GLN A 56 -1.229 -2.322 -9.269 1.00 1.33 C ATOM 855 O GLN A 56 -1.196 -2.186 -10.493 1.00 1.41 O ATOM 856 CB GLN A 56 -2.708 -4.269 -8.743 1.00 1.34 C ATOM 857 CG GLN A 56 -3.849 -4.657 -9.647 1.00 1.40 C ATOM 858 CD GLN A 56 -3.699 -6.044 -10.248 1.00 1.53 C ATOM 859 OE1 GLN A 56 -2.469 -6.443 -10.543 1.00 1.56 O flip ATOM 860 NE2 GLN A 56 -4.685 -6.748 -10.456 1.00 1.78 N flip ATOM 0 H GLN A 56 -4.273 -2.506 -9.669 1.00 1.29 H new ATOM 0 HA GLN A 56 -2.419 -2.560 -7.499 1.00 1.27 H new ATOM 0 HB2 GLN A 56 -1.788 -4.699 -9.139 1.00 1.34 H new ATOM 0 HB3 GLN A 56 -2.873 -4.715 -7.762 1.00 1.34 H new ATOM 0 HG2 GLN A 56 -4.781 -4.613 -9.083 1.00 1.40 H new ATOM 0 HG3 GLN A 56 -3.929 -3.927 -10.452 1.00 1.40 H new ATOM 0 HE21 GLN A 56 -5.615 -6.406 -10.216 1.00 1.78 H new ATOM 0 HE22 GLN A 56 -4.573 -7.674 -10.869 1.00 1.78 H new ATOM 869 N GLY A 57 -0.186 -2.110 -8.480 1.00 1.30 N ATOM 870 CA GLY A 57 1.092 -1.690 -9.012 1.00 1.37 C ATOM 871 C GLY A 57 1.360 -0.216 -8.786 1.00 1.33 C ATOM 872 O GLY A 57 2.364 0.311 -9.259 1.00 1.39 O ATOM 0 H GLY A 57 -0.205 -2.224 -7.467 1.00 1.30 H new ATOM 0 HA2 GLY A 57 1.885 -2.275 -8.547 1.00 1.37 H new ATOM 0 HA3 GLY A 57 1.124 -1.902 -10.081 1.00 1.37 H new ATOM 876 N ASP A 58 0.446 0.458 -8.092 1.00 1.24 N ATOM 877 CA ASP A 58 0.613 1.878 -7.789 1.00 1.21 C ATOM 878 C ASP A 58 1.429 2.036 -6.517 1.00 1.13 C ATOM 879 O ASP A 58 2.226 1.172 -6.164 1.00 1.13 O ATOM 880 CB ASP A 58 -0.736 2.574 -7.581 1.00 1.16 C ATOM 881 CG ASP A 58 -1.626 2.588 -8.815 1.00 1.26 C ATOM 882 OD1 ASP A 58 -1.316 1.885 -9.801 1.00 1.43 O ATOM 883 OD2 ASP A 58 -2.638 3.323 -8.804 1.00 1.29 O ATOM 0 H ASP A 58 -0.414 0.047 -7.730 1.00 1.24 H new ATOM 0 HA ASP A 58 1.120 2.336 -8.638 1.00 1.21 H new ATOM 0 HB2 ASP A 58 -1.267 2.077 -6.769 1.00 1.16 H new ATOM 0 HB3 ASP A 58 -0.557 3.601 -7.264 1.00 1.16 H new ATOM 888 N LEU A 59 1.219 3.137 -5.824 1.00 1.06 N ATOM 889 CA LEU A 59 1.902 3.399 -4.591 1.00 0.99 C ATOM 890 C LEU A 59 0.956 4.059 -3.620 1.00 0.89 C ATOM 891 O LEU A 59 0.450 5.149 -3.878 1.00 0.90 O ATOM 892 CB LEU A 59 3.108 4.307 -4.804 1.00 1.05 C ATOM 893 CG LEU A 59 4.435 3.594 -5.017 1.00 1.13 C ATOM 894 CD1 LEU A 59 5.571 4.601 -5.096 1.00 1.19 C ATOM 895 CD2 LEU A 59 4.690 2.586 -3.903 1.00 1.06 C ATOM 0 H LEU A 59 0.568 3.870 -6.107 1.00 1.06 H new ATOM 0 HA LEU A 59 2.252 2.447 -4.193 1.00 0.99 H new ATOM 0 HB2 LEU A 59 2.914 4.943 -5.668 1.00 1.05 H new ATOM 0 HB3 LEU A 59 3.203 4.964 -3.940 1.00 1.05 H new ATOM 0 HG LEU A 59 4.386 3.052 -5.962 1.00 1.13 H new ATOM 0 HD11 LEU A 59 6.513 4.075 -5.248 1.00 1.19 H new ATOM 0 HD12 LEU A 59 5.396 5.282 -5.929 1.00 1.19 H new ATOM 0 HD13 LEU A 59 5.619 5.169 -4.167 1.00 1.19 H new ATOM 0 HD21 LEU A 59 5.644 2.087 -4.075 1.00 1.06 H new ATOM 0 HD22 LEU A 59 4.718 3.103 -2.944 1.00 1.06 H new ATOM 0 HD23 LEU A 59 3.890 1.845 -3.892 1.00 1.06 H new ATOM 907 N ILE A 60 0.674 3.382 -2.535 1.00 0.80 N ATOM 908 CA ILE A 60 -0.186 3.943 -1.520 1.00 0.71 C ATOM 909 C ILE A 60 0.642 4.868 -0.635 1.00 0.68 C ATOM 910 O ILE A 60 1.573 4.426 0.038 1.00 0.66 O ATOM 911 CB ILE A 60 -0.856 2.852 -0.663 1.00 0.62 C ATOM 912 CG1 ILE A 60 -1.753 1.968 -1.539 1.00 0.67 C ATOM 913 CG2 ILE A 60 -1.652 3.483 0.470 1.00 0.54 C ATOM 914 CD1 ILE A 60 -2.125 0.652 -0.893 1.00 0.63 C ATOM 0 H ILE A 60 1.025 2.446 -2.331 1.00 0.80 H new ATOM 0 HA ILE A 60 -0.984 4.499 -2.012 1.00 0.71 H new ATOM 0 HB ILE A 60 -0.082 2.223 -0.223 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -2.664 2.515 -1.779 1.00 0.67 H new ATOM 0 HG13 ILE A 60 -1.243 1.769 -2.482 1.00 0.67 H new ATOM 0 HG21 ILE A 60 -2.119 2.700 1.067 1.00 0.54 H new ATOM 0 HG22 ILE A 60 -0.984 4.070 1.101 1.00 0.54 H new ATOM 0 HG23 ILE A 60 -2.423 4.132 0.055 1.00 0.54 H new ATOM 0 HD11 ILE A 60 -2.760 0.081 -1.570 1.00 0.63 H new ATOM 0 HD12 ILE A 60 -1.220 0.084 -0.678 1.00 0.63 H new ATOM 0 HD13 ILE A 60 -2.664 0.842 0.035 1.00 0.63 H new ATOM 926 N THR A 61 0.324 6.150 -0.659 1.00 0.70 N ATOM 927 CA THR A 61 1.068 7.119 0.121 1.00 0.70 C ATOM 928 C THR A 61 0.383 7.430 1.451 1.00 0.61 C ATOM 929 O THR A 61 1.053 7.649 2.462 1.00 0.58 O ATOM 930 CB THR A 61 1.315 8.418 -0.684 1.00 0.80 C ATOM 931 OG1 THR A 61 1.918 9.417 0.147 1.00 0.79 O ATOM 932 CG2 THR A 61 0.024 8.960 -1.284 1.00 0.86 C ATOM 0 H THR A 61 -0.441 6.542 -1.208 1.00 0.70 H new ATOM 0 HA THR A 61 2.034 6.668 0.347 1.00 0.70 H new ATOM 0 HB THR A 61 1.993 8.170 -1.501 1.00 0.80 H new ATOM 0 HG1 THR A 61 2.069 10.231 -0.377 1.00 0.79 H new ATOM 0 HG21 THR A 61 0.237 9.872 -1.842 1.00 0.86 H new ATOM 0 HG22 THR A 61 -0.406 8.216 -1.955 1.00 0.86 H new ATOM 0 HG23 THR A 61 -0.684 9.180 -0.485 1.00 0.86 H new ATOM 940 N HIS A 62 -0.943 7.427 1.468 1.00 0.60 N ATOM 941 CA HIS A 62 -1.671 7.717 2.702 1.00 0.57 C ATOM 942 C HIS A 62 -2.900 6.836 2.822 1.00 0.55 C ATOM 943 O HIS A 62 -3.506 6.450 1.819 1.00 0.59 O ATOM 944 CB HIS A 62 -2.103 9.190 2.789 1.00 0.66 C ATOM 945 CG HIS A 62 -0.973 10.180 2.796 1.00 0.75 C ATOM 946 ND1 HIS A 62 -0.523 10.772 1.635 1.00 0.81 N ATOM 947 CD2 HIS A 62 -0.248 10.653 3.839 1.00 0.86 C ATOM 948 CE1 HIS A 62 0.457 11.585 2.000 1.00 0.91 C ATOM 949 NE2 HIS A 62 0.655 11.543 3.322 1.00 0.95 N ATOM 0 H HIS A 62 -1.531 7.231 0.658 1.00 0.60 H new ATOM 0 HA HIS A 62 -0.984 7.510 3.523 1.00 0.57 H new ATOM 0 HB2 HIS A 62 -2.757 9.412 1.946 1.00 0.66 H new ATOM 0 HB3 HIS A 62 -2.693 9.328 3.695 1.00 0.66 H new ATOM 0 HD2 HIS A 62 -0.361 10.380 4.878 1.00 0.86 H new ATOM 0 HE1 HIS A 62 1.023 12.202 1.318 1.00 0.91 H new ATOM 0 HE2 HIS A 62 1.349 12.075 3.847 1.00 0.95 H new ATOM 957 N VAL A 63 -3.253 6.518 4.054 1.00 0.51 N ATOM 958 CA VAL A 63 -4.419 5.701 4.339 1.00 0.50 C ATOM 959 C VAL A 63 -5.299 6.415 5.350 1.00 0.58 C ATOM 960 O VAL A 63 -4.871 6.670 6.475 1.00 0.59 O ATOM 961 CB VAL A 63 -4.027 4.320 4.898 1.00 0.42 C ATOM 962 CG1 VAL A 63 -5.259 3.566 5.369 1.00 0.44 C ATOM 963 CG2 VAL A 63 -3.270 3.509 3.853 1.00 0.38 C ATOM 0 H VAL A 63 -2.741 6.818 4.884 1.00 0.51 H new ATOM 0 HA VAL A 63 -4.956 5.548 3.403 1.00 0.50 H new ATOM 0 HB VAL A 63 -3.369 4.473 5.753 1.00 0.42 H new ATOM 0 HG11 VAL A 63 -4.962 2.593 5.761 1.00 0.44 H new ATOM 0 HG12 VAL A 63 -5.757 4.136 6.153 1.00 0.44 H new ATOM 0 HG13 VAL A 63 -5.943 3.427 4.532 1.00 0.44 H new ATOM 0 HG21 VAL A 63 -3.003 2.538 4.269 1.00 0.38 H new ATOM 0 HG22 VAL A 63 -3.901 3.367 2.976 1.00 0.38 H new ATOM 0 HG23 VAL A 63 -2.364 4.042 3.565 1.00 0.38 H new ATOM 973 N ASN A 64 -6.515 6.758 4.934 1.00 0.67 N ATOM 974 CA ASN A 64 -7.471 7.460 5.794 1.00 0.76 C ATOM 975 C ASN A 64 -6.936 8.836 6.169 1.00 0.81 C ATOM 976 O ASN A 64 -7.355 9.432 7.162 1.00 0.90 O ATOM 977 CB ASN A 64 -7.777 6.650 7.058 1.00 0.77 C ATOM 978 CG ASN A 64 -8.549 5.383 6.765 1.00 0.75 C ATOM 979 OD1 ASN A 64 -9.401 5.352 5.876 1.00 0.80 O ATOM 980 ND2 ASN A 64 -8.254 4.326 7.509 1.00 0.70 N ATOM 0 H ASN A 64 -6.867 6.560 3.997 1.00 0.67 H new ATOM 0 HA ASN A 64 -8.399 7.581 5.235 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -6.842 6.394 7.556 1.00 0.77 H new ATOM 0 HB3 ASN A 64 -8.349 7.267 7.751 1.00 0.77 H new ATOM 0 HD21 ASN A 64 -8.740 3.443 7.355 1.00 0.70 H new ATOM 0 HD22 ASN A 64 -7.541 4.396 8.235 1.00 0.70 H new ATOM 987 N GLY A 65 -6.010 9.331 5.358 1.00 0.78 N ATOM 988 CA GLY A 65 -5.413 10.626 5.596 1.00 0.83 C ATOM 989 C GLY A 65 -4.237 10.560 6.550 1.00 0.81 C ATOM 990 O GLY A 65 -3.890 11.559 7.182 1.00 0.90 O ATOM 0 H GLY A 65 -5.660 8.849 4.530 1.00 0.78 H new ATOM 0 HA2 GLY A 65 -5.083 11.050 4.647 1.00 0.83 H new ATOM 0 HA3 GLY A 65 -6.167 11.301 6.001 1.00 0.83 H new ATOM 994 N GLU A 66 -3.622 9.390 6.661 1.00 0.71 N ATOM 995 CA GLU A 66 -2.488 9.209 7.553 1.00 0.71 C ATOM 996 C GLU A 66 -1.229 8.842 6.775 1.00 0.66 C ATOM 997 O GLU A 66 -1.296 8.082 5.809 1.00 0.58 O ATOM 998 CB GLU A 66 -2.790 8.091 8.544 1.00 0.70 C ATOM 999 CG GLU A 66 -4.170 8.172 9.165 1.00 0.77 C ATOM 1000 CD GLU A 66 -4.229 9.126 10.338 1.00 0.95 C ATOM 1001 OE1 GLU A 66 -4.413 10.341 10.111 1.00 1.36 O ATOM 1002 OE2 GLU A 66 -4.089 8.671 11.491 1.00 1.30 O ATOM 0 H GLU A 66 -3.891 8.553 6.144 1.00 0.71 H new ATOM 0 HA GLU A 66 -2.319 10.150 8.077 1.00 0.71 H new ATOM 0 HB2 GLU A 66 -2.687 7.132 8.036 1.00 0.70 H new ATOM 0 HB3 GLU A 66 -2.044 8.112 9.338 1.00 0.70 H new ATOM 0 HG2 GLU A 66 -4.886 8.490 8.407 1.00 0.77 H new ATOM 0 HG3 GLU A 66 -4.474 7.179 9.495 1.00 0.77 H new ATOM 1009 N PRO A 67 -0.069 9.376 7.186 1.00 0.73 N ATOM 1010 CA PRO A 67 1.200 9.078 6.536 1.00 0.72 C ATOM 1011 C PRO A 67 1.701 7.688 6.917 1.00 0.64 C ATOM 1012 O PRO A 67 2.093 7.440 8.062 1.00 0.72 O ATOM 1013 CB PRO A 67 2.142 10.164 7.051 1.00 0.84 C ATOM 1014 CG PRO A 67 1.562 10.617 8.349 1.00 0.90 C ATOM 1015 CD PRO A 67 0.086 10.309 8.315 1.00 0.84 C ATOM 0 HA PRO A 67 1.122 9.073 5.449 1.00 0.72 H new ATOM 0 HB2 PRO A 67 3.151 9.775 7.187 1.00 0.84 H new ATOM 0 HB3 PRO A 67 2.212 10.990 6.343 1.00 0.84 H new ATOM 0 HG2 PRO A 67 2.042 10.105 9.183 1.00 0.90 H new ATOM 0 HG3 PRO A 67 1.728 11.685 8.492 1.00 0.90 H new ATOM 0 HD2 PRO A 67 -0.247 9.859 9.250 1.00 0.84 H new ATOM 0 HD3 PRO A 67 -0.505 11.213 8.167 1.00 0.84 H new ATOM 1023 N VAL A 68 1.680 6.786 5.956 1.00 0.53 N ATOM 1024 CA VAL A 68 2.103 5.413 6.185 1.00 0.48 C ATOM 1025 C VAL A 68 3.596 5.236 5.946 1.00 0.56 C ATOM 1026 O VAL A 68 4.168 4.197 6.281 1.00 0.60 O ATOM 1027 CB VAL A 68 1.322 4.431 5.294 1.00 0.42 C ATOM 1028 CG1 VAL A 68 -0.172 4.557 5.544 1.00 0.40 C ATOM 1029 CG2 VAL A 68 1.642 4.646 3.819 1.00 0.52 C ATOM 0 H VAL A 68 1.373 6.978 5.002 1.00 0.53 H new ATOM 0 HA VAL A 68 1.889 5.191 7.231 1.00 0.48 H new ATOM 0 HB VAL A 68 1.633 3.420 5.557 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -0.708 3.855 4.905 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -0.386 4.333 6.589 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -0.494 5.573 5.317 1.00 0.40 H new ATOM 0 HG21 VAL A 68 1.074 3.937 3.216 1.00 0.52 H new ATOM 0 HG22 VAL A 68 1.373 5.663 3.533 1.00 0.52 H new ATOM 0 HG23 VAL A 68 2.708 4.492 3.652 1.00 0.52 H new ATOM 1039 N HIS A 69 4.222 6.252 5.370 1.00 0.62 N ATOM 1040 CA HIS A 69 5.646 6.203 5.099 1.00 0.73 C ATOM 1041 C HIS A 69 6.428 6.239 6.406 1.00 0.77 C ATOM 1042 O HIS A 69 6.582 7.292 7.028 1.00 0.84 O ATOM 1043 CB HIS A 69 6.062 7.362 4.196 1.00 0.82 C ATOM 1044 CG HIS A 69 7.429 7.201 3.609 1.00 0.94 C ATOM 1045 ND1 HIS A 69 7.664 6.331 2.572 1.00 1.39 N ATOM 1046 CD2 HIS A 69 8.587 7.811 3.945 1.00 1.09 C ATOM 1047 CE1 HIS A 69 8.955 6.430 2.304 1.00 1.37 C ATOM 1048 NE2 HIS A 69 9.557 7.316 3.111 1.00 1.17 N ATOM 0 H HIS A 69 3.765 7.117 5.083 1.00 0.62 H new ATOM 0 HA HIS A 69 5.870 5.270 4.581 1.00 0.73 H new ATOM 0 HB2 HIS A 69 5.337 7.460 3.388 1.00 0.82 H new ATOM 0 HB3 HIS A 69 6.028 8.289 4.769 1.00 0.82 H new ATOM 0 HD2 HIS A 69 8.723 8.548 4.722 1.00 1.09 H new ATOM 0 HE1 HIS A 69 9.461 5.868 1.533 1.00 1.37 H new ATOM 0 HE2 HIS A 69 10.544 7.572 3.106 1.00 1.17 H new ATOM 1056 N GLY A 70 6.896 5.076 6.826 1.00 0.80 N ATOM 1057 CA GLY A 70 7.647 4.980 8.055 1.00 0.89 C ATOM 1058 C GLY A 70 7.204 3.807 8.899 1.00 0.86 C ATOM 1059 O GLY A 70 8.005 3.218 9.627 1.00 0.98 O ATOM 0 H GLY A 70 6.767 4.192 6.333 1.00 0.80 H new ATOM 0 HA2 GLY A 70 8.708 4.881 7.825 1.00 0.89 H new ATOM 0 HA3 GLY A 70 7.529 5.902 8.625 1.00 0.89 H new ATOM 1063 N LEU A 71 5.930 3.450 8.794 1.00 0.74 N ATOM 1064 CA LEU A 71 5.401 2.337 9.566 1.00 0.72 C ATOM 1065 C LEU A 71 5.764 1.010 8.927 1.00 0.73 C ATOM 1066 O LEU A 71 6.413 0.954 7.878 1.00 0.82 O ATOM 1067 CB LEU A 71 3.879 2.389 9.663 1.00 0.67 C ATOM 1068 CG LEU A 71 3.236 3.754 9.703 1.00 0.57 C ATOM 1069 CD1 LEU A 71 1.748 3.602 9.474 1.00 0.47 C ATOM 1070 CD2 LEU A 71 3.522 4.460 11.019 1.00 0.83 C ATOM 0 H LEU A 71 5.251 3.911 8.188 1.00 0.74 H new ATOM 0 HA LEU A 71 5.842 2.421 10.559 1.00 0.72 H new ATOM 0 HB2 LEU A 71 3.468 1.847 8.812 1.00 0.67 H new ATOM 0 HB3 LEU A 71 3.579 1.848 10.561 1.00 0.67 H new ATOM 0 HG LEU A 71 3.660 4.375 8.914 1.00 0.57 H new ATOM 0 HD11 LEU A 71 1.274 4.583 9.501 1.00 0.47 H new ATOM 0 HD12 LEU A 71 1.575 3.142 8.501 1.00 0.47 H new ATOM 0 HD13 LEU A 71 1.322 2.972 10.255 1.00 0.47 H new ATOM 0 HD21 LEU A 71 3.046 5.440 11.017 1.00 0.83 H new ATOM 0 HD22 LEU A 71 3.127 3.866 11.844 1.00 0.83 H new ATOM 0 HD23 LEU A 71 4.598 4.580 11.141 1.00 0.83 H new ATOM 1082 N VAL A 72 5.335 -0.054 9.577 1.00 0.68 N ATOM 1083 CA VAL A 72 5.543 -1.396 9.081 1.00 0.68 C ATOM 1084 C VAL A 72 4.393 -1.762 8.160 1.00 0.59 C ATOM 1085 O VAL A 72 3.451 -0.982 7.997 1.00 0.52 O ATOM 1086 CB VAL A 72 5.606 -2.424 10.225 1.00 0.72 C ATOM 1087 CG1 VAL A 72 6.847 -2.213 11.081 1.00 0.82 C ATOM 1088 CG2 VAL A 72 4.343 -2.346 11.070 1.00 0.69 C ATOM 0 H VAL A 72 4.833 -0.010 10.464 1.00 0.68 H new ATOM 0 HA VAL A 72 6.495 -1.417 8.550 1.00 0.68 H new ATOM 0 HB VAL A 72 5.671 -3.421 9.790 1.00 0.72 H new ATOM 0 HG11 VAL A 72 6.867 -2.952 11.882 1.00 0.82 H new ATOM 0 HG12 VAL A 72 7.738 -2.323 10.463 1.00 0.82 H new ATOM 0 HG13 VAL A 72 6.826 -1.212 11.512 1.00 0.82 H new ATOM 0 HG21 VAL A 72 4.399 -3.078 11.876 1.00 0.69 H new ATOM 0 HG22 VAL A 72 4.250 -1.346 11.493 1.00 0.69 H new ATOM 0 HG23 VAL A 72 3.474 -2.558 10.447 1.00 0.69 H new ATOM 1098 N HIS A 73 4.452 -2.943 7.580 1.00 0.60 N ATOM 1099 CA HIS A 73 3.403 -3.395 6.684 1.00 0.53 C ATOM 1100 C HIS A 73 2.075 -3.544 7.427 1.00 0.44 C ATOM 1101 O HIS A 73 1.024 -3.161 6.925 1.00 0.36 O ATOM 1102 CB HIS A 73 3.809 -4.718 6.041 1.00 0.60 C ATOM 1103 CG HIS A 73 2.820 -5.245 5.050 1.00 0.58 C ATOM 1104 ND1 HIS A 73 2.459 -4.591 3.892 1.00 0.58 N ATOM 1105 CD2 HIS A 73 2.117 -6.404 5.059 1.00 0.58 C ATOM 1106 CE1 HIS A 73 1.574 -5.360 3.249 1.00 0.58 C ATOM 1107 NE2 HIS A 73 1.334 -6.472 3.914 1.00 0.58 N ATOM 0 H HIS A 73 5.214 -3.608 7.712 1.00 0.60 H new ATOM 0 HA HIS A 73 3.265 -2.647 5.903 1.00 0.53 H new ATOM 0 HB2 HIS A 73 4.771 -4.588 5.544 1.00 0.60 H new ATOM 0 HB3 HIS A 73 3.953 -5.461 6.825 1.00 0.60 H new ATOM 0 HD1 HIS A 73 2.805 -3.683 3.581 1.00 0.58 H new ATOM 0 HD2 HIS A 73 2.159 -7.155 5.834 1.00 0.58 H new ATOM 0 HE1 HIS A 73 1.115 -5.103 2.306 1.00 0.58 H new ATOM 1115 N THR A 74 2.135 -4.067 8.637 1.00 0.48 N ATOM 1116 CA THR A 74 0.937 -4.279 9.434 1.00 0.44 C ATOM 1117 C THR A 74 0.346 -2.974 9.965 1.00 0.41 C ATOM 1118 O THR A 74 -0.868 -2.875 10.120 1.00 0.39 O ATOM 1119 CB THR A 74 1.226 -5.223 10.602 1.00 0.52 C ATOM 1120 OG1 THR A 74 2.540 -4.968 11.116 1.00 0.57 O ATOM 1121 CG2 THR A 74 1.127 -6.669 10.155 1.00 0.57 C ATOM 0 H THR A 74 3.002 -4.354 9.092 1.00 0.48 H new ATOM 0 HA THR A 74 0.199 -4.730 8.770 1.00 0.44 H new ATOM 0 HB THR A 74 0.487 -5.046 11.383 1.00 0.52 H new ATOM 0 HG1 THR A 74 2.721 -5.573 11.865 1.00 0.57 H new ATOM 0 HG21 THR A 74 1.336 -7.326 10.999 1.00 0.57 H new ATOM 0 HG22 THR A 74 0.122 -6.866 9.781 1.00 0.57 H new ATOM 0 HG23 THR A 74 1.852 -6.855 9.362 1.00 0.57 H new ATOM 1129 N GLU A 75 1.183 -1.968 10.234 1.00 0.45 N ATOM 1130 CA GLU A 75 0.683 -0.696 10.737 1.00 0.46 C ATOM 1131 C GLU A 75 -0.275 -0.082 9.737 1.00 0.37 C ATOM 1132 O GLU A 75 -1.345 0.409 10.091 1.00 0.38 O ATOM 1133 CB GLU A 75 1.817 0.284 11.026 1.00 0.53 C ATOM 1134 CG GLU A 75 2.568 -0.024 12.308 1.00 0.66 C ATOM 1135 CD GLU A 75 1.893 0.555 13.535 1.00 0.74 C ATOM 1136 OE1 GLU A 75 2.090 1.758 13.814 1.00 0.80 O ATOM 1137 OE2 GLU A 75 1.157 -0.183 14.220 1.00 0.88 O ATOM 0 H GLU A 75 2.195 -2.012 10.113 1.00 0.45 H new ATOM 0 HA GLU A 75 0.162 -0.896 11.674 1.00 0.46 H new ATOM 0 HB2 GLU A 75 2.518 0.273 10.191 1.00 0.53 H new ATOM 0 HB3 GLU A 75 1.409 1.293 11.086 1.00 0.53 H new ATOM 0 HG2 GLU A 75 2.655 -1.104 12.422 1.00 0.66 H new ATOM 0 HG3 GLU A 75 3.581 0.372 12.235 1.00 0.66 H new ATOM 1144 N VAL A 76 0.115 -0.140 8.477 1.00 0.32 N ATOM 1145 CA VAL A 76 -0.703 0.402 7.411 1.00 0.25 C ATOM 1146 C VAL A 76 -1.905 -0.511 7.162 1.00 0.20 C ATOM 1147 O VAL A 76 -3.000 -0.036 6.874 1.00 0.21 O ATOM 1148 CB VAL A 76 0.123 0.630 6.124 1.00 0.26 C ATOM 1149 CG1 VAL A 76 1.470 1.237 6.481 1.00 0.37 C ATOM 1150 CG2 VAL A 76 0.319 -0.652 5.334 1.00 0.28 C ATOM 0 H VAL A 76 0.993 -0.557 8.168 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.075 1.379 7.719 1.00 0.25 H new ATOM 0 HB VAL A 76 -0.435 1.318 5.489 1.00 0.26 H new ATOM 0 HG11 VAL A 76 2.050 1.396 5.572 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.317 2.191 6.986 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.011 0.560 7.142 1.00 0.37 H new ATOM 0 HG21 VAL A 76 0.905 -0.442 4.439 1.00 0.28 H new ATOM 0 HG22 VAL A 76 0.846 -1.382 5.949 1.00 0.28 H new ATOM 0 HG23 VAL A 76 -0.652 -1.054 5.046 1.00 0.28 H new ATOM 1160 N VAL A 77 -1.697 -1.822 7.316 1.00 0.21 N ATOM 1161 CA VAL A 77 -2.765 -2.805 7.150 1.00 0.20 C ATOM 1162 C VAL A 77 -3.863 -2.531 8.163 1.00 0.26 C ATOM 1163 O VAL A 77 -5.048 -2.473 7.819 1.00 0.29 O ATOM 1164 CB VAL A 77 -2.223 -4.245 7.320 1.00 0.25 C ATOM 1165 CG1 VAL A 77 -3.328 -5.228 7.667 1.00 0.28 C ATOM 1166 CG2 VAL A 77 -1.504 -4.692 6.058 1.00 0.28 C ATOM 0 H VAL A 77 -0.792 -2.226 7.557 1.00 0.21 H new ATOM 0 HA VAL A 77 -3.171 -2.718 6.142 1.00 0.20 H new ATOM 0 HB VAL A 77 -1.518 -4.232 8.151 1.00 0.25 H new ATOM 0 HG11 VAL A 77 -2.905 -6.227 7.778 1.00 0.28 H new ATOM 0 HG12 VAL A 77 -3.801 -4.929 8.602 1.00 0.28 H new ATOM 0 HG13 VAL A 77 -4.072 -5.235 6.870 1.00 0.28 H new ATOM 0 HG21 VAL A 77 -1.129 -5.706 6.193 1.00 0.28 H new ATOM 0 HG22 VAL A 77 -2.197 -4.671 5.217 1.00 0.28 H new ATOM 0 HG23 VAL A 77 -0.670 -4.020 5.857 1.00 0.28 H new ATOM 1176 N GLU A 78 -3.453 -2.345 9.409 1.00 0.33 N ATOM 1177 CA GLU A 78 -4.382 -2.040 10.475 1.00 0.43 C ATOM 1178 C GLU A 78 -5.071 -0.739 10.190 1.00 0.45 C ATOM 1179 O GLU A 78 -6.284 -0.633 10.295 1.00 0.51 O ATOM 1180 CB GLU A 78 -3.669 -1.970 11.796 1.00 0.52 C ATOM 1181 CG GLU A 78 -3.171 -3.311 12.217 1.00 0.58 C ATOM 1182 CD GLU A 78 -2.989 -3.431 13.710 1.00 0.79 C ATOM 1183 OE1 GLU A 78 -4.006 -3.484 14.433 1.00 1.32 O ATOM 1184 OE2 GLU A 78 -1.826 -3.465 14.169 1.00 1.12 O ATOM 0 H GLU A 78 -2.478 -2.401 9.703 1.00 0.33 H new ATOM 0 HA GLU A 78 -5.125 -2.835 10.529 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -2.832 -1.276 11.723 1.00 0.52 H new ATOM 0 HB3 GLU A 78 -4.344 -1.576 12.555 1.00 0.52 H new ATOM 0 HG2 GLU A 78 -3.872 -4.075 11.880 1.00 0.58 H new ATOM 0 HG3 GLU A 78 -2.220 -3.510 11.724 1.00 0.58 H new ATOM 1191 N LEU A 79 -4.264 0.244 9.844 1.00 0.42 N ATOM 1192 CA LEU A 79 -4.755 1.575 9.485 1.00 0.47 C ATOM 1193 C LEU A 79 -5.953 1.456 8.551 1.00 0.48 C ATOM 1194 O LEU A 79 -7.021 2.003 8.830 1.00 0.58 O ATOM 1195 CB LEU A 79 -3.654 2.386 8.812 1.00 0.42 C ATOM 1196 CG LEU A 79 -3.480 3.802 9.346 1.00 0.50 C ATOM 1197 CD1 LEU A 79 -2.855 3.772 10.728 1.00 0.57 C ATOM 1198 CD2 LEU A 79 -2.641 4.620 8.385 1.00 0.46 C ATOM 0 H LEU A 79 -3.249 0.151 9.801 1.00 0.42 H new ATOM 0 HA LEU A 79 -5.061 2.088 10.397 1.00 0.47 H new ATOM 0 HB2 LEU A 79 -2.710 1.853 8.925 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -3.864 2.440 7.744 1.00 0.42 H new ATOM 0 HG LEU A 79 -4.459 4.273 9.431 1.00 0.50 H new ATOM 0 HD11 LEU A 79 -2.737 4.791 11.096 1.00 0.57 H new ATOM 0 HD12 LEU A 79 -3.499 3.213 11.407 1.00 0.57 H new ATOM 0 HD13 LEU A 79 -1.879 3.290 10.675 1.00 0.57 H new ATOM 0 HD21 LEU A 79 -2.522 5.631 8.775 1.00 0.46 H new ATOM 0 HD22 LEU A 79 -1.661 4.157 8.273 1.00 0.46 H new ATOM 0 HD23 LEU A 79 -3.136 4.662 7.415 1.00 0.46 H new ATOM 1210 N ILE A 80 -5.759 0.748 7.437 1.00 0.40 N ATOM 1211 CA ILE A 80 -6.817 0.497 6.485 1.00 0.45 C ATOM 1212 C ILE A 80 -8.031 -0.110 7.172 1.00 0.52 C ATOM 1213 O ILE A 80 -9.141 0.392 7.054 1.00 0.63 O ATOM 1214 CB ILE A 80 -6.306 -0.468 5.416 1.00 0.37 C ATOM 1215 CG1 ILE A 80 -5.138 0.169 4.686 1.00 0.33 C ATOM 1216 CG2 ILE A 80 -7.416 -0.859 4.466 1.00 0.46 C ATOM 1217 CD1 ILE A 80 -4.147 -0.832 4.166 1.00 0.27 C ATOM 0 H ILE A 80 -4.862 0.337 7.179 1.00 0.40 H new ATOM 0 HA ILE A 80 -7.113 1.443 6.032 1.00 0.45 H new ATOM 0 HB ILE A 80 -5.960 -1.386 5.890 1.00 0.37 H new ATOM 0 HG12 ILE A 80 -5.518 0.761 3.853 1.00 0.33 H new ATOM 0 HG13 ILE A 80 -4.629 0.858 5.360 1.00 0.33 H new ATOM 0 HG21 ILE A 80 -7.027 -1.546 3.715 1.00 0.46 H new ATOM 0 HG22 ILE A 80 -8.217 -1.346 5.023 1.00 0.46 H new ATOM 0 HG23 ILE A 80 -7.806 0.033 3.975 1.00 0.46 H new ATOM 0 HD11 ILE A 80 -3.338 -0.311 3.655 1.00 0.27 H new ATOM 0 HD12 ILE A 80 -3.740 -1.407 4.998 1.00 0.27 H new ATOM 0 HD13 ILE A 80 -4.643 -1.506 3.467 1.00 0.27 H new ATOM 1229 N LEU A 81 -7.804 -1.208 7.874 1.00 0.48 N ATOM 1230 CA LEU A 81 -8.864 -1.900 8.610 1.00 0.56 C ATOM 1231 C LEU A 81 -9.606 -0.973 9.587 1.00 0.68 C ATOM 1232 O LEU A 81 -10.826 -1.055 9.718 1.00 0.78 O ATOM 1233 CB LEU A 81 -8.275 -3.092 9.369 1.00 0.52 C ATOM 1234 CG LEU A 81 -8.123 -4.372 8.549 1.00 0.51 C ATOM 1235 CD1 LEU A 81 -7.274 -5.385 9.298 1.00 0.48 C ATOM 1236 CD2 LEU A 81 -9.488 -4.959 8.229 1.00 0.68 C ATOM 0 H LEU A 81 -6.887 -1.648 7.953 1.00 0.48 H new ATOM 0 HA LEU A 81 -9.593 -2.246 7.878 1.00 0.56 H new ATOM 0 HB2 LEU A 81 -7.296 -2.809 9.756 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -8.909 -3.304 10.230 1.00 0.52 H new ATOM 0 HG LEU A 81 -7.622 -4.126 7.613 1.00 0.51 H new ATOM 0 HD11 LEU A 81 -7.176 -6.291 8.700 1.00 0.48 H new ATOM 0 HD12 LEU A 81 -6.286 -4.965 9.485 1.00 0.48 H new ATOM 0 HD13 LEU A 81 -7.750 -5.628 10.248 1.00 0.48 H new ATOM 0 HD21 LEU A 81 -9.364 -5.871 7.644 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -10.011 -5.191 9.157 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -10.069 -4.237 7.656 1.00 0.68 H new ATOM 1248 N LYS A 82 -8.868 -0.097 10.265 1.00 0.68 N ATOM 1249 CA LYS A 82 -9.444 0.827 11.240 1.00 0.80 C ATOM 1250 C LYS A 82 -10.322 1.920 10.620 1.00 0.87 C ATOM 1251 O LYS A 82 -10.902 2.731 11.346 1.00 1.00 O ATOM 1252 CB LYS A 82 -8.329 1.467 12.045 1.00 0.77 C ATOM 1253 CG LYS A 82 -7.502 0.434 12.763 1.00 0.75 C ATOM 1254 CD LYS A 82 -6.563 1.043 13.796 1.00 0.77 C ATOM 1255 CE LYS A 82 -5.377 1.745 13.150 1.00 0.78 C ATOM 1256 NZ LYS A 82 -4.391 2.215 14.159 1.00 0.88 N ATOM 0 H LYS A 82 -7.858 -0.007 10.155 1.00 0.68 H new ATOM 0 HA LYS A 82 -10.100 0.234 11.878 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -7.689 2.050 11.382 1.00 0.77 H new ATOM 0 HB3 LYS A 82 -8.755 2.161 12.770 1.00 0.77 H new ATOM 0 HG2 LYS A 82 -8.165 -0.277 13.256 1.00 0.75 H new ATOM 0 HG3 LYS A 82 -6.918 -0.128 12.034 1.00 0.75 H new ATOM 0 HD2 LYS A 82 -7.114 1.755 14.411 1.00 0.77 H new ATOM 0 HD3 LYS A 82 -6.201 0.260 14.462 1.00 0.77 H new ATOM 0 HE2 LYS A 82 -4.887 1.064 12.454 1.00 0.78 H new ATOM 0 HE3 LYS A 82 -5.732 2.595 12.567 1.00 0.78 H new ATOM 0 HZ1 LYS A 82 -3.600 2.687 13.677 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -4.851 2.885 14.808 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -4.032 1.402 14.699 1.00 0.88 H new ATOM 1270 N SER A 83 -10.404 1.958 9.294 1.00 0.82 N ATOM 1271 CA SER A 83 -11.210 2.955 8.596 1.00 0.90 C ATOM 1272 C SER A 83 -12.669 2.944 9.057 1.00 1.02 C ATOM 1273 O SER A 83 -13.205 3.970 9.494 1.00 1.08 O ATOM 1274 CB SER A 83 -11.151 2.705 7.093 1.00 0.85 C ATOM 1275 OG SER A 83 -11.645 1.415 6.761 1.00 0.78 O ATOM 0 H SER A 83 -9.919 1.306 8.678 1.00 0.82 H new ATOM 0 HA SER A 83 -10.794 3.934 8.833 1.00 0.90 H new ATOM 0 HB2 SER A 83 -11.735 3.465 6.573 1.00 0.85 H new ATOM 0 HB3 SER A 83 -10.122 2.802 6.747 1.00 0.85 H new ATOM 0 HG SER A 83 -10.906 0.772 6.761 1.00 0.78 H new ATOM 1281 N GLY A 84 -13.308 1.789 8.951 1.00 1.06 N ATOM 1282 CA GLY A 84 -14.692 1.665 9.350 1.00 1.18 C ATOM 1283 C GLY A 84 -15.644 1.869 8.186 1.00 1.22 C ATOM 1284 O GLY A 84 -15.897 3.005 7.779 1.00 1.29 O ATOM 0 H GLY A 84 -12.889 0.931 8.593 1.00 1.06 H new ATOM 0 HA2 GLY A 84 -14.857 0.678 9.783 1.00 1.18 H new ATOM 0 HA3 GLY A 84 -14.911 2.396 10.129 1.00 1.18 H new ATOM 1288 N ASN A 85 -16.135 0.758 7.637 1.00 1.19 N ATOM 1289 CA ASN A 85 -17.085 0.758 6.511 1.00 1.25 C ATOM 1290 C ASN A 85 -16.405 1.086 5.177 1.00 1.19 C ATOM 1291 O ASN A 85 -16.664 0.424 4.175 1.00 1.19 O ATOM 1292 CB ASN A 85 -18.272 1.699 6.793 1.00 1.40 C ATOM 1293 CG ASN A 85 -18.910 2.264 5.537 1.00 1.45 C ATOM 1294 OD1 ASN A 85 -18.637 3.395 5.149 1.00 1.48 O ATOM 1295 ND2 ASN A 85 -19.775 1.487 4.908 1.00 1.50 N ATOM 0 H ASN A 85 -15.886 -0.177 7.959 1.00 1.19 H new ATOM 0 HA ASN A 85 -17.476 -0.255 6.416 1.00 1.25 H new ATOM 0 HB2 ASN A 85 -19.027 1.157 7.362 1.00 1.40 H new ATOM 0 HB3 ASN A 85 -17.931 2.523 7.420 1.00 1.40 H new ATOM 0 HD21 ASN A 85 -20.244 1.822 4.066 1.00 1.50 H new ATOM 0 HD22 ASN A 85 -19.974 0.552 5.264 1.00 1.50 H new ATOM 1302 N LYS A 86 -15.556 2.101 5.152 1.00 1.14 N ATOM 1303 CA LYS A 86 -14.838 2.468 3.956 1.00 1.10 C ATOM 1304 C LYS A 86 -13.525 3.078 4.329 1.00 1.02 C ATOM 1305 O LYS A 86 -13.369 3.645 5.410 1.00 1.04 O ATOM 1306 CB LYS A 86 -15.613 3.427 3.084 1.00 1.19 C ATOM 1307 CG LYS A 86 -16.010 4.699 3.783 1.00 1.28 C ATOM 1308 CD LYS A 86 -17.217 5.323 3.124 1.00 1.38 C ATOM 1309 CE LYS A 86 -17.319 6.808 3.417 1.00 1.44 C ATOM 1310 NZ LYS A 86 -18.457 7.438 2.693 1.00 1.58 N ATOM 0 H LYS A 86 -15.350 2.688 5.961 1.00 1.14 H new ATOM 0 HA LYS A 86 -14.685 1.557 3.377 1.00 1.10 H new ATOM 0 HB2 LYS A 86 -15.011 3.676 2.210 1.00 1.19 H new ATOM 0 HB3 LYS A 86 -16.511 2.928 2.720 1.00 1.19 H new ATOM 0 HG2 LYS A 86 -16.230 4.490 4.830 1.00 1.28 H new ATOM 0 HG3 LYS A 86 -15.178 5.403 3.767 1.00 1.28 H new ATOM 0 HD2 LYS A 86 -17.162 5.169 2.046 1.00 1.38 H new ATOM 0 HD3 LYS A 86 -18.120 4.822 3.472 1.00 1.38 H new ATOM 0 HE2 LYS A 86 -17.442 6.959 4.489 1.00 1.44 H new ATOM 0 HE3 LYS A 86 -16.389 7.300 3.131 1.00 1.44 H new ATOM 0 HZ1 LYS A 86 -18.493 8.452 2.919 1.00 1.58 H new ATOM 0 HZ2 LYS A 86 -18.327 7.316 1.668 1.00 1.58 H new ATOM 0 HZ3 LYS A 86 -19.347 6.986 2.985 1.00 1.58 H new ATOM 1324 N VAL A 87 -12.601 2.979 3.422 1.00 0.95 N ATOM 1325 CA VAL A 87 -11.267 3.484 3.650 1.00 0.87 C ATOM 1326 C VAL A 87 -10.778 4.325 2.485 1.00 0.88 C ATOM 1327 O VAL A 87 -10.978 3.976 1.324 1.00 0.91 O ATOM 1328 CB VAL A 87 -10.306 2.308 3.913 1.00 0.76 C ATOM 1329 CG1 VAL A 87 -10.394 1.281 2.795 1.00 0.75 C ATOM 1330 CG2 VAL A 87 -8.877 2.792 4.097 1.00 0.68 C ATOM 0 H VAL A 87 -12.741 2.550 2.507 1.00 0.95 H new ATOM 0 HA VAL A 87 -11.293 4.132 4.526 1.00 0.87 H new ATOM 0 HB VAL A 87 -10.612 1.827 4.842 1.00 0.76 H new ATOM 0 HG11 VAL A 87 -9.708 0.460 3.001 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.412 0.896 2.733 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.125 1.750 1.848 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.225 1.938 4.281 1.00 0.68 H new ATOM 0 HG22 VAL A 87 -8.550 3.311 3.196 1.00 0.68 H new ATOM 0 HG23 VAL A 87 -8.830 3.474 4.946 1.00 0.68 H new ATOM 1340 N ALA A 88 -10.163 5.450 2.806 1.00 0.87 N ATOM 1341 CA ALA A 88 -9.625 6.332 1.793 1.00 0.89 C ATOM 1342 C ALA A 88 -8.161 6.004 1.573 1.00 0.80 C ATOM 1343 O ALA A 88 -7.346 6.118 2.485 1.00 0.76 O ATOM 1344 CB ALA A 88 -9.792 7.785 2.191 1.00 0.96 C ATOM 0 H ALA A 88 -10.025 5.772 3.764 1.00 0.87 H new ATOM 0 HA ALA A 88 -10.174 6.181 0.864 1.00 0.89 H new ATOM 0 HB1 ALA A 88 -9.379 8.425 1.412 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -10.851 8.007 2.320 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -9.266 7.968 3.128 1.00 0.96 H new ATOM 1350 N ILE A 89 -7.832 5.583 0.371 1.00 0.79 N ATOM 1351 CA ILE A 89 -6.464 5.210 0.052 1.00 0.72 C ATOM 1352 C ILE A 89 -5.867 6.134 -1.002 1.00 0.78 C ATOM 1353 O ILE A 89 -6.254 6.092 -2.165 1.00 0.86 O ATOM 1354 CB ILE A 89 -6.389 3.754 -0.448 1.00 0.70 C ATOM 1355 CG1 ILE A 89 -7.156 2.819 0.497 1.00 0.66 C ATOM 1356 CG2 ILE A 89 -4.949 3.320 -0.586 1.00 0.67 C ATOM 1357 CD1 ILE A 89 -6.537 1.442 0.675 1.00 0.60 C ATOM 0 H ILE A 89 -8.490 5.489 -0.403 1.00 0.79 H new ATOM 0 HA ILE A 89 -5.886 5.304 0.971 1.00 0.72 H new ATOM 0 HB ILE A 89 -6.858 3.698 -1.430 1.00 0.70 H new ATOM 0 HG12 ILE A 89 -7.232 3.296 1.474 1.00 0.66 H new ATOM 0 HG13 ILE A 89 -8.172 2.699 0.121 1.00 0.66 H new ATOM 0 HG21 ILE A 89 -4.912 2.290 -0.940 1.00 0.67 H new ATOM 0 HG22 ILE A 89 -4.441 3.968 -1.300 1.00 0.67 H new ATOM 0 HG23 ILE A 89 -4.454 3.389 0.383 1.00 0.67 H new ATOM 0 HD11 ILE A 89 -7.149 0.854 1.359 1.00 0.60 H new ATOM 0 HD12 ILE A 89 -6.486 0.938 -0.290 1.00 0.60 H new ATOM 0 HD13 ILE A 89 -5.532 1.545 1.084 1.00 0.60 H new ATOM 1369 N SER A 90 -4.928 6.965 -0.589 1.00 0.75 N ATOM 1370 CA SER A 90 -4.279 7.893 -1.499 1.00 0.81 C ATOM 1371 C SER A 90 -3.242 7.155 -2.337 1.00 0.82 C ATOM 1372 O SER A 90 -2.237 6.673 -1.811 1.00 0.77 O ATOM 1373 CB SER A 90 -3.623 9.024 -0.708 1.00 0.79 C ATOM 1374 OG SER A 90 -4.558 9.648 0.157 1.00 0.82 O ATOM 0 H SER A 90 -4.596 7.017 0.374 1.00 0.75 H new ATOM 0 HA SER A 90 -5.025 8.324 -2.167 1.00 0.81 H new ATOM 0 HB2 SER A 90 -2.790 8.630 -0.126 1.00 0.79 H new ATOM 0 HB3 SER A 90 -3.210 9.762 -1.396 1.00 0.79 H new ATOM 0 HG SER A 90 -4.163 10.462 0.533 1.00 0.82 H new ATOM 1380 N THR A 91 -3.490 7.066 -3.635 1.00 0.91 N ATOM 1381 CA THR A 91 -2.591 6.364 -4.531 1.00 0.95 C ATOM 1382 C THR A 91 -1.808 7.319 -5.430 1.00 1.04 C ATOM 1383 O THR A 91 -2.254 8.430 -5.725 1.00 1.09 O ATOM 1384 CB THR A 91 -3.377 5.371 -5.411 1.00 1.02 C ATOM 1385 OG1 THR A 91 -4.567 5.996 -5.915 1.00 1.06 O ATOM 1386 CG2 THR A 91 -3.757 4.123 -4.629 1.00 0.97 C ATOM 0 H THR A 91 -4.308 7.472 -4.089 1.00 0.91 H new ATOM 0 HA THR A 91 -1.878 5.826 -3.905 1.00 0.95 H new ATOM 0 HB THR A 91 -2.733 5.078 -6.241 1.00 1.02 H new ATOM 0 HG1 THR A 91 -5.059 5.359 -6.474 1.00 1.06 H new ATOM 0 HG21 THR A 91 -4.310 3.442 -5.276 1.00 0.97 H new ATOM 0 HG22 THR A 91 -2.854 3.629 -4.270 1.00 0.97 H new ATOM 0 HG23 THR A 91 -4.380 4.402 -3.779 1.00 0.97 H new ATOM 1394 N THR A 92 -0.643 6.867 -5.859 1.00 1.10 N ATOM 1395 CA THR A 92 0.230 7.632 -6.731 1.00 1.19 C ATOM 1396 C THR A 92 1.060 6.650 -7.564 1.00 1.24 C ATOM 1397 O THR A 92 1.250 5.514 -7.138 1.00 1.20 O ATOM 1398 CB THR A 92 1.147 8.574 -5.900 1.00 1.16 C ATOM 1399 OG1 THR A 92 2.160 9.161 -6.723 1.00 1.24 O ATOM 1400 CG2 THR A 92 1.799 7.829 -4.746 1.00 1.08 C ATOM 0 H THR A 92 -0.273 5.950 -5.609 1.00 1.10 H new ATOM 0 HA THR A 92 -0.364 8.262 -7.393 1.00 1.19 H new ATOM 0 HB THR A 92 0.516 9.365 -5.496 1.00 1.16 H new ATOM 0 HG1 THR A 92 2.723 9.750 -6.179 1.00 1.24 H new ATOM 0 HG21 THR A 92 2.434 8.513 -4.183 1.00 1.08 H new ATOM 0 HG22 THR A 92 1.027 7.428 -4.089 1.00 1.08 H new ATOM 0 HG23 THR A 92 2.404 7.011 -5.137 1.00 1.08 H new ATOM 1408 N PRO A 93 1.507 7.032 -8.778 1.00 1.35 N ATOM 1409 CA PRO A 93 2.324 6.157 -9.635 1.00 1.42 C ATOM 1410 C PRO A 93 3.525 5.552 -8.913 1.00 1.38 C ATOM 1411 O PRO A 93 4.103 6.160 -8.007 1.00 1.33 O ATOM 1412 CB PRO A 93 2.823 7.094 -10.727 1.00 1.52 C ATOM 1413 CG PRO A 93 1.773 8.147 -10.827 1.00 1.52 C ATOM 1414 CD PRO A 93 1.220 8.322 -9.435 1.00 1.42 C ATOM 0 HA PRO A 93 1.739 5.308 -9.988 1.00 1.42 H new ATOM 0 HB2 PRO A 93 3.791 7.523 -10.469 1.00 1.52 H new ATOM 0 HB3 PRO A 93 2.949 6.568 -11.674 1.00 1.52 H new ATOM 0 HG2 PRO A 93 2.193 9.081 -11.200 1.00 1.52 H new ATOM 0 HG3 PRO A 93 0.989 7.850 -11.523 1.00 1.52 H new ATOM 0 HD2 PRO A 93 1.700 9.151 -8.915 1.00 1.42 H new ATOM 0 HD3 PRO A 93 0.151 8.533 -9.453 1.00 1.42 H new ATOM 1422 N LEU A 94 3.912 4.368 -9.354 1.00 1.42 N ATOM 1423 CA LEU A 94 5.048 3.663 -8.784 1.00 1.41 C ATOM 1424 C LEU A 94 6.224 3.739 -9.751 1.00 1.50 C ATOM 1425 O LEU A 94 6.619 2.752 -10.375 1.00 1.53 O ATOM 1426 CB LEU A 94 4.691 2.200 -8.462 1.00 1.39 C ATOM 1427 CG LEU A 94 5.878 1.269 -8.149 1.00 1.43 C ATOM 1428 CD1 LEU A 94 6.614 1.711 -6.893 1.00 1.38 C ATOM 1429 CD2 LEU A 94 5.400 -0.168 -8.003 1.00 1.46 C ATOM 0 H LEU A 94 3.450 3.869 -10.114 1.00 1.42 H new ATOM 0 HA LEU A 94 5.326 4.140 -7.844 1.00 1.41 H new ATOM 0 HB2 LEU A 94 4.013 2.192 -7.608 1.00 1.39 H new ATOM 0 HB3 LEU A 94 4.143 1.786 -9.308 1.00 1.39 H new ATOM 0 HG LEU A 94 6.576 1.327 -8.984 1.00 1.43 H new ATOM 0 HD11 LEU A 94 7.445 1.033 -6.701 1.00 1.38 H new ATOM 0 HD12 LEU A 94 6.995 2.723 -7.032 1.00 1.38 H new ATOM 0 HD13 LEU A 94 5.929 1.695 -6.045 1.00 1.38 H new ATOM 0 HD21 LEU A 94 6.250 -0.814 -7.782 1.00 1.46 H new ATOM 0 HD22 LEU A 94 4.676 -0.230 -7.190 1.00 1.46 H new ATOM 0 HD23 LEU A 94 4.931 -0.491 -8.932 1.00 1.46 H new ATOM 1441 N GLU A 95 6.752 4.935 -9.910 1.00 1.54 N ATOM 1442 CA GLU A 95 7.883 5.143 -10.786 1.00 1.63 C ATOM 1443 C GLU A 95 9.162 5.012 -9.990 1.00 1.62 C ATOM 1444 O GLU A 95 9.375 5.718 -9.001 1.00 1.54 O ATOM 1445 CB GLU A 95 7.816 6.507 -11.448 1.00 1.61 C ATOM 1446 CG GLU A 95 6.528 6.742 -12.225 1.00 1.66 C ATOM 1447 CD GLU A 95 6.391 5.793 -13.396 1.00 1.76 C ATOM 1448 OE1 GLU A 95 7.210 5.878 -14.333 1.00 1.92 O ATOM 1449 OE2 GLU A 95 5.476 4.945 -13.375 1.00 1.89 O ATOM 0 H GLU A 95 6.415 5.777 -9.443 1.00 1.54 H new ATOM 0 HA GLU A 95 7.861 4.388 -11.572 1.00 1.63 H new ATOM 0 HB2 GLU A 95 7.916 7.278 -10.684 1.00 1.61 H new ATOM 0 HB3 GLU A 95 8.664 6.616 -12.124 1.00 1.61 H new ATOM 0 HG2 GLU A 95 5.675 6.620 -11.558 1.00 1.66 H new ATOM 0 HG3 GLU A 95 6.505 7.770 -12.587 1.00 1.66 H new ATOM 1612 N ILE B 106 3.614 -9.564 2.603 1.00 0.89 N ATOM 1613 CA ILE B 106 2.421 -9.713 1.783 1.00 0.86 C ATOM 1614 C ILE B 106 1.203 -9.987 2.656 1.00 0.77 C ATOM 1615 O ILE B 106 1.181 -10.969 3.401 1.00 0.81 O ATOM 1616 CB ILE B 106 2.588 -10.880 0.788 1.00 1.01 C ATOM 1617 CG1 ILE B 106 3.807 -10.663 -0.111 1.00 1.40 C ATOM 1618 CG2 ILE B 106 1.329 -11.060 -0.052 1.00 1.68 C ATOM 1619 CD1 ILE B 106 4.218 -11.896 -0.887 1.00 1.61 C ATOM 0 HA ILE B 106 2.278 -8.782 1.234 1.00 0.86 H new ATOM 0 HB ILE B 106 2.749 -11.791 1.364 1.00 1.01 H new ATOM 0 HG12 ILE B 106 3.591 -9.858 -0.813 1.00 1.40 H new ATOM 0 HG13 ILE B 106 4.646 -10.334 0.502 1.00 1.40 H new ATOM 0 HG21 ILE B 106 1.470 -11.888 -0.746 1.00 1.68 H new ATOM 0 HG22 ILE B 106 0.483 -11.274 0.601 1.00 1.68 H new ATOM 0 HG23 ILE B 106 1.132 -10.146 -0.613 1.00 1.68 H new ATOM 0 HD11 ILE B 106 5.088 -11.666 -1.502 1.00 1.61 H new ATOM 0 HD12 ILE B 106 4.467 -12.698 -0.191 1.00 1.61 H new ATOM 0 HD13 ILE B 106 3.395 -12.214 -1.528 1.00 1.61 H new ATOM 1631 N THR B 107 0.196 -9.129 2.571 1.00 0.68 N ATOM 1632 CA THR B 107 -1.013 -9.303 3.360 1.00 0.63 C ATOM 1633 C THR B 107 -2.236 -8.730 2.648 1.00 0.57 C ATOM 1634 O THR B 107 -2.271 -7.544 2.310 1.00 0.56 O ATOM 1635 CB THR B 107 -0.886 -8.615 4.740 1.00 0.64 C ATOM 1636 OG1 THR B 107 0.341 -8.994 5.380 1.00 0.80 O ATOM 1637 CG2 THR B 107 -2.060 -8.968 5.643 1.00 0.62 C ATOM 0 H THR B 107 0.193 -8.308 1.965 1.00 0.68 H new ATOM 0 HA THR B 107 -1.142 -10.377 3.494 1.00 0.63 H new ATOM 0 HB THR B 107 -0.888 -7.538 4.571 1.00 0.64 H new ATOM 0 HG1 THR B 107 0.407 -8.549 6.251 1.00 0.80 H new ATOM 0 HG21 THR B 107 -1.942 -8.469 6.605 1.00 0.62 H new ATOM 0 HG22 THR B 107 -2.989 -8.641 5.176 1.00 0.62 H new ATOM 0 HG23 THR B 107 -2.091 -10.047 5.795 1.00 0.62 H new ATOM 1645 N LYS B 108 -3.221 -9.579 2.381 1.00 0.65 N ATOM 1646 CA LYS B 108 -4.457 -9.121 1.773 1.00 0.68 C ATOM 1647 C LYS B 108 -5.275 -8.447 2.863 1.00 0.58 C ATOM 1648 O LYS B 108 -5.320 -8.940 3.991 1.00 0.68 O ATOM 1649 CB LYS B 108 -5.240 -10.280 1.149 1.00 0.91 C ATOM 1650 CG LYS B 108 -4.537 -10.925 -0.034 1.00 1.20 C ATOM 1651 CD LYS B 108 -5.464 -11.864 -0.794 1.00 1.70 C ATOM 1652 CE LYS B 108 -6.347 -11.108 -1.777 1.00 2.51 C ATOM 1653 NZ LYS B 108 -7.174 -12.028 -2.600 1.00 3.39 N ATOM 0 H LYS B 108 -3.186 -10.580 2.575 1.00 0.65 H new ATOM 0 HA LYS B 108 -4.238 -8.423 0.965 1.00 0.68 H new ATOM 0 HB2 LYS B 108 -5.419 -11.038 1.911 1.00 0.91 H new ATOM 0 HB3 LYS B 108 -6.215 -9.916 0.826 1.00 0.91 H new ATOM 0 HG2 LYS B 108 -4.172 -10.150 -0.708 1.00 1.20 H new ATOM 0 HG3 LYS B 108 -3.666 -11.478 0.317 1.00 1.20 H new ATOM 0 HD2 LYS B 108 -4.871 -12.604 -1.332 1.00 1.70 H new ATOM 0 HD3 LYS B 108 -6.090 -12.409 -0.087 1.00 1.70 H new ATOM 0 HE2 LYS B 108 -6.998 -10.426 -1.230 1.00 2.51 H new ATOM 0 HE3 LYS B 108 -5.723 -10.498 -2.430 1.00 2.51 H new ATOM 0 HZ1 LYS B 108 -7.479 -11.540 -3.466 1.00 3.39 H new ATOM 0 HZ2 LYS B 108 -6.613 -12.866 -2.854 1.00 3.39 H new ATOM 0 HZ3 LYS B 108 -8.010 -12.323 -2.056 1.00 3.39 H new ATOM 1667 N VAL B 109 -5.919 -7.342 2.547 1.00 0.51 N ATOM 1668 CA VAL B 109 -6.667 -6.618 3.545 1.00 0.55 C ATOM 1669 C VAL B 109 -8.127 -6.462 3.131 1.00 0.76 C ATOM 1670 O VAL B 109 -8.998 -6.523 4.022 1.00 1.40 O ATOM 1671 CB VAL B 109 -6.001 -5.249 3.800 1.00 0.56 C ATOM 1672 CG1 VAL B 109 -5.912 -4.449 2.510 1.00 0.59 C ATOM 1673 CG2 VAL B 109 -6.723 -4.476 4.894 1.00 1.21 C ATOM 1674 OXT VAL B 109 -8.397 -6.333 1.918 1.00 1.18 O ATOM 0 H VAL B 109 -5.938 -6.931 1.614 1.00 0.51 H new ATOM 0 HA VAL B 109 -6.659 -7.186 4.475 1.00 0.55 H new ATOM 0 HB VAL B 109 -4.985 -5.426 4.153 1.00 0.56 H new ATOM 0 HG11 VAL B 109 -5.440 -3.487 2.710 1.00 0.59 H new ATOM 0 HG12 VAL B 109 -5.318 -5.000 1.780 1.00 0.59 H new ATOM 0 HG13 VAL B 109 -6.914 -4.286 2.113 1.00 0.59 H new ATOM 0 HG21 VAL B 109 -6.229 -3.517 5.049 1.00 1.21 H new ATOM 0 HG22 VAL B 109 -7.758 -4.307 4.598 1.00 1.21 H new ATOM 0 HG23 VAL B 109 -6.700 -5.050 5.821 1.00 1.21 H new