USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 824 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot 169:sc= -1.4 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -0.996 F(o=-2.9,f=-2.4) USER MOD Set 3.1: A 34 ASN : amide:sc= 0 X(o=0,f=0.46) USER MOD Set 3.2: A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.206 USER MOD Single : A 17 SER OG : rot -94:sc= 0.298 USER MOD Single : A 18 ASN : amide:sc= -0.479 K(o=-0.48,f=-2.4) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.33 K(o=-2.3,f=-3.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -69:sc= 1.31 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0368 K(o=-0.037,f=-4.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 27:sc= 0.0366 USER MOD Single : A 77 SER OG : rot 180:sc= 0.248 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -63:sc= 0.387! USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= 0.343 (180deg=0.0734) USER MOD Single : A 97 ASN : amide:sc= -0.0494 K(o=-0.049,f=-0.95) USER MOD Single : A 98 MET CE :methyl -158:sc= -0.163 (180deg=-0.809) USER MOD Single : A 99 THR OG1 : rot -34:sc= -1.27! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 108 ASN : amide:sc= -0.635 K(o=-0.64,f=-1.9!) USER MOD Single : A 110 TYR OH : rot -123:sc= -0.224 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 6 3.623 3.949 -9.203 1.00 63.11 N ATOM 47 CA GLY A 6 2.379 3.234 -9.426 1.00 45.43 C ATOM 48 C GLY A 6 1.507 3.901 -10.470 1.00 73.41 C ATOM 49 O GLY A 6 1.624 5.102 -10.712 1.00 23.10 O ATOM 0 HA2 GLY A 6 2.601 2.214 -9.740 1.00 45.43 H new ATOM 0 HA3 GLY A 6 1.829 3.166 -8.487 1.00 45.43 H new ATOM 53 N ARG A 7 0.630 3.120 -11.093 1.00 65.32 N ATOM 54 CA ARG A 7 -0.264 3.640 -12.119 1.00 13.21 C ATOM 55 C ARG A 7 -1.207 4.689 -11.537 1.00 11.24 C ATOM 56 O ARG A 7 -1.371 5.772 -12.099 1.00 54.42 O ATOM 57 CB ARG A 7 -1.072 2.504 -12.747 1.00 33.20 C ATOM 58 CG ARG A 7 -0.332 1.769 -13.853 1.00 24.11 C ATOM 59 CD ARG A 7 -1.281 0.931 -14.696 1.00 55.21 C ATOM 60 NE ARG A 7 -1.178 -0.492 -14.387 1.00 41.23 N ATOM 61 CZ ARG A 7 -1.922 -1.426 -14.969 1.00 24.50 C ATOM 62 NH1 ARG A 7 -2.817 -1.090 -15.886 1.00 55.13 N ATOM 63 NH2 ARG A 7 -1.770 -2.701 -14.632 1.00 15.10 N ATOM 0 H ARG A 7 0.520 2.124 -10.904 1.00 65.32 H new ATOM 0 HA ARG A 7 0.345 4.111 -12.890 1.00 13.21 H new ATOM 0 HB2 ARG A 7 -1.346 1.791 -11.969 1.00 33.20 H new ATOM 0 HB3 ARG A 7 -2.000 2.909 -13.150 1.00 33.20 H new ATOM 0 HG2 ARG A 7 0.182 2.489 -14.489 1.00 24.11 H new ATOM 0 HG3 ARG A 7 0.433 1.126 -13.416 1.00 24.11 H new ATOM 0 HD2 ARG A 7 -2.305 1.265 -14.529 1.00 55.21 H new ATOM 0 HD3 ARG A 7 -1.063 1.089 -15.752 1.00 55.21 H new ATOM 0 HE ARG A 7 -0.498 -0.785 -13.686 1.00 41.23 H new ATOM 0 HH11 ARG A 7 -2.937 -0.111 -16.147 1.00 55.13 H new ATOM 0 HH12 ARG A 7 -3.386 -1.810 -16.331 1.00 55.13 H new ATOM 0 HH21 ARG A 7 -1.082 -2.963 -13.926 1.00 15.10 H new ATOM 0 HH22 ARG A 7 -2.341 -3.418 -15.079 1.00 15.10 H new ATOM 77 N ASP A 8 -1.827 4.359 -10.410 1.00 62.10 N ATOM 78 CA ASP A 8 -2.754 5.271 -9.751 1.00 14.11 C ATOM 79 C ASP A 8 -2.023 6.504 -9.227 1.00 11.05 C ATOM 80 O ASP A 8 -2.606 7.583 -9.120 1.00 24.04 O ATOM 81 CB ASP A 8 -3.472 4.562 -8.601 1.00 71.50 C ATOM 82 CG ASP A 8 -4.725 3.840 -9.059 1.00 1.14 C ATOM 83 OD1 ASP A 8 -5.554 3.485 -8.195 1.00 2.32 O ATOM 84 OD2 ASP A 8 -4.877 3.632 -10.280 1.00 53.43 O ATOM 0 H ASP A 8 -1.704 3.466 -9.933 1.00 62.10 H new ATOM 0 HA ASP A 8 -3.492 5.592 -10.486 1.00 14.11 H new ATOM 0 HB2 ASP A 8 -2.792 3.847 -8.138 1.00 71.50 H new ATOM 0 HB3 ASP A 8 -3.736 5.292 -7.836 1.00 71.50 H new ATOM 89 N TRP A 9 -0.748 6.335 -8.902 1.00 62.41 N ATOM 90 CA TRP A 9 0.063 7.433 -8.389 1.00 2.32 C ATOM 91 C TRP A 9 0.329 8.468 -9.476 1.00 2.35 C ATOM 92 O TRP A 9 0.048 9.654 -9.300 1.00 71.41 O ATOM 93 CB TRP A 9 1.387 6.903 -7.836 1.00 13.43 C ATOM 94 CG TRP A 9 1.916 7.708 -6.688 1.00 61.33 C ATOM 95 CD1 TRP A 9 3.169 8.237 -6.566 1.00 60.12 C ATOM 96 CD2 TRP A 9 1.207 8.072 -5.498 1.00 65.32 C ATOM 97 NE1 TRP A 9 3.282 8.908 -5.373 1.00 53.22 N ATOM 98 CE2 TRP A 9 2.092 8.823 -4.700 1.00 21.32 C ATOM 99 CE3 TRP A 9 -0.089 7.838 -5.030 1.00 53.13 C ATOM 100 CZ2 TRP A 9 1.721 9.339 -3.461 1.00 73.11 C ATOM 101 CZ3 TRP A 9 -0.455 8.351 -3.801 1.00 61.41 C ATOM 102 CH2 TRP A 9 0.447 9.095 -3.028 1.00 1.34 C ATOM 0 H TRP A 9 -0.252 5.447 -8.984 1.00 62.41 H new ATOM 0 HA TRP A 9 -0.491 7.915 -7.583 1.00 2.32 H new ATOM 0 HB2 TRP A 9 1.251 5.871 -7.514 1.00 13.43 H new ATOM 0 HB3 TRP A 9 2.128 6.893 -8.635 1.00 13.43 H new ATOM 0 HD1 TRP A 9 3.956 8.142 -7.300 1.00 60.12 H new ATOM 0 HE1 TRP A 9 4.117 9.391 -5.042 1.00 53.22 H new ATOM 0 HE3 TRP A 9 -0.791 7.267 -5.619 1.00 53.13 H new ATOM 0 HZ2 TRP A 9 2.415 9.912 -2.863 1.00 73.11 H new ATOM 0 HZ3 TRP A 9 -1.454 8.176 -3.429 1.00 61.41 H new ATOM 0 HH2 TRP A 9 0.130 9.483 -2.071 1.00 1.34 H new ATOM 113 N LYS A 10 0.871 8.013 -10.599 1.00 53.04 N ATOM 114 CA LYS A 10 1.175 8.899 -11.717 1.00 33.14 C ATOM 115 C LYS A 10 -0.106 9.455 -12.334 1.00 63.10 C ATOM 116 O LYS A 10 -0.121 10.570 -12.853 1.00 30.05 O ATOM 117 CB LYS A 10 1.984 8.154 -12.781 1.00 31.43 C ATOM 118 CG LYS A 10 3.483 8.197 -12.546 1.00 65.04 C ATOM 119 CD LYS A 10 4.183 9.081 -13.564 1.00 31.14 C ATOM 120 CE LYS A 10 5.461 9.679 -12.999 1.00 42.54 C ATOM 121 NZ LYS A 10 6.318 10.267 -14.065 1.00 52.01 N ATOM 0 H LYS A 10 1.109 7.034 -10.760 1.00 53.04 H new ATOM 0 HA LYS A 10 1.767 9.732 -11.337 1.00 33.14 H new ATOM 0 HB2 LYS A 10 1.659 7.114 -12.810 1.00 31.43 H new ATOM 0 HB3 LYS A 10 1.766 8.584 -13.759 1.00 31.43 H new ATOM 0 HG2 LYS A 10 3.684 8.569 -11.541 1.00 65.04 H new ATOM 0 HG3 LYS A 10 3.889 7.187 -12.600 1.00 65.04 H new ATOM 0 HD2 LYS A 10 4.416 8.497 -14.455 1.00 31.14 H new ATOM 0 HD3 LYS A 10 3.512 9.882 -13.874 1.00 31.14 H new ATOM 0 HE2 LYS A 10 5.210 10.449 -12.269 1.00 42.54 H new ATOM 0 HE3 LYS A 10 6.019 8.907 -12.469 1.00 42.54 H new ATOM 0 HZ1 LYS A 10 7.179 10.664 -13.638 1.00 52.01 H new ATOM 0 HZ2 LYS A 10 6.579 9.527 -14.748 1.00 52.01 H new ATOM 0 HZ3 LYS A 10 5.795 11.021 -14.555 1.00 52.01 H new ATOM 135 N MET A 11 -1.176 8.670 -12.271 1.00 31.43 N ATOM 136 CA MET A 11 -2.462 9.086 -12.821 1.00 71.44 C ATOM 137 C MET A 11 -3.139 10.102 -11.909 1.00 14.42 C ATOM 138 O MET A 11 -3.686 11.101 -12.376 1.00 44.44 O ATOM 139 CB MET A 11 -3.372 7.873 -13.017 1.00 35.54 C ATOM 140 CG MET A 11 -3.120 7.127 -14.319 1.00 45.12 C ATOM 141 SD MET A 11 -4.544 6.159 -14.852 1.00 31.13 S ATOM 142 CE MET A 11 -3.827 5.213 -16.193 1.00 32.15 C ATOM 0 H MET A 11 -1.179 7.743 -11.845 1.00 31.43 H new ATOM 0 HA MET A 11 -2.282 9.556 -13.788 1.00 71.44 H new ATOM 0 HB2 MET A 11 -3.233 7.186 -12.182 1.00 35.54 H new ATOM 0 HB3 MET A 11 -4.411 8.201 -12.991 1.00 35.54 H new ATOM 0 HG2 MET A 11 -2.860 7.843 -15.099 1.00 45.12 H new ATOM 0 HG3 MET A 11 -2.262 6.466 -14.194 1.00 45.12 H new ATOM 0 HE1 MET A 11 -4.587 4.563 -16.627 1.00 32.15 H new ATOM 0 HE2 MET A 11 -3.451 5.893 -16.958 1.00 32.15 H new ATOM 0 HE3 MET A 11 -3.006 4.606 -15.812 1.00 32.15 H new ATOM 152 N ALA A 12 -3.100 9.842 -10.606 1.00 51.02 N ATOM 153 CA ALA A 12 -3.709 10.736 -9.630 1.00 41.13 C ATOM 154 C ALA A 12 -3.111 12.135 -9.718 1.00 13.41 C ATOM 155 O ALA A 12 -3.837 13.130 -9.756 1.00 61.10 O ATOM 156 CB ALA A 12 -3.541 10.176 -8.224 1.00 74.34 C ATOM 0 H ALA A 12 -2.653 9.019 -10.202 1.00 51.02 H new ATOM 0 HA ALA A 12 -4.773 10.809 -9.856 1.00 41.13 H new ATOM 0 HB1 ALA A 12 -4.001 10.854 -7.505 1.00 74.34 H new ATOM 0 HB2 ALA A 12 -4.022 9.200 -8.161 1.00 74.34 H new ATOM 0 HB3 ALA A 12 -2.480 10.073 -7.998 1.00 74.34 H new ATOM 162 N ILE A 13 -1.784 12.206 -9.750 1.00 72.31 N ATOM 163 CA ILE A 13 -1.090 13.484 -9.835 1.00 54.25 C ATOM 164 C ILE A 13 -1.270 14.118 -11.211 1.00 2.43 C ATOM 165 O ILE A 13 -1.523 15.318 -11.325 1.00 72.12 O ATOM 166 CB ILE A 13 0.416 13.328 -9.548 1.00 34.32 C ATOM 167 CG1 ILE A 13 0.632 12.724 -8.159 1.00 55.51 C ATOM 168 CG2 ILE A 13 1.120 14.671 -9.664 1.00 63.21 C ATOM 169 CD1 ILE A 13 2.090 12.523 -7.808 1.00 14.34 C ATOM 0 H ILE A 13 -1.169 11.393 -9.718 1.00 72.31 H new ATOM 0 HA ILE A 13 -1.531 14.132 -9.078 1.00 54.25 H new ATOM 0 HB ILE A 13 0.844 12.652 -10.288 1.00 34.32 H new ATOM 0 HG12 ILE A 13 0.173 13.374 -7.414 1.00 55.51 H new ATOM 0 HG13 ILE A 13 0.118 11.764 -8.105 1.00 55.51 H new ATOM 0 HG21 ILE A 13 2.183 14.544 -9.458 1.00 63.21 H new ATOM 0 HG22 ILE A 13 0.990 15.064 -10.672 1.00 63.21 H new ATOM 0 HG23 ILE A 13 0.692 15.369 -8.945 1.00 63.21 H new ATOM 0 HD11 ILE A 13 2.168 12.092 -6.810 1.00 14.34 H new ATOM 0 HD12 ILE A 13 2.549 11.849 -8.531 1.00 14.34 H new ATOM 0 HD13 ILE A 13 2.605 13.483 -7.829 1.00 14.34 H new ATOM 181 N LYS A 14 -1.141 13.304 -12.253 1.00 52.34 N ATOM 182 CA LYS A 14 -1.292 13.783 -13.621 1.00 15.22 C ATOM 183 C LYS A 14 -2.613 14.526 -13.795 1.00 12.14 C ATOM 184 O LYS A 14 -2.674 15.556 -14.467 1.00 42.14 O ATOM 185 CB LYS A 14 -1.221 12.612 -14.604 1.00 23.13 C ATOM 186 CG LYS A 14 -1.462 13.015 -16.049 1.00 20.41 C ATOM 187 CD LYS A 14 -1.241 11.847 -16.997 1.00 11.32 C ATOM 188 CE LYS A 14 -1.780 12.150 -18.387 1.00 24.33 C ATOM 189 NZ LYS A 14 -2.337 10.934 -19.042 1.00 54.42 N ATOM 0 H LYS A 14 -0.932 12.309 -12.176 1.00 52.34 H new ATOM 0 HA LYS A 14 -0.476 14.475 -13.829 1.00 15.22 H new ATOM 0 HB2 LYS A 14 -0.241 12.142 -14.525 1.00 23.13 H new ATOM 0 HB3 LYS A 14 -1.958 11.862 -14.317 1.00 23.13 H new ATOM 0 HG2 LYS A 14 -2.481 13.387 -16.159 1.00 20.41 H new ATOM 0 HG3 LYS A 14 -0.793 13.833 -16.316 1.00 20.41 H new ATOM 0 HD2 LYS A 14 -0.176 11.623 -17.059 1.00 11.32 H new ATOM 0 HD3 LYS A 14 -1.731 10.957 -16.601 1.00 11.32 H new ATOM 0 HE2 LYS A 14 -2.555 12.913 -18.318 1.00 24.33 H new ATOM 0 HE3 LYS A 14 -0.982 12.562 -19.004 1.00 24.33 H new ATOM 0 HZ1 LYS A 14 -2.694 11.181 -19.987 1.00 54.42 H new ATOM 0 HZ2 LYS A 14 -1.591 10.215 -19.131 1.00 54.42 H new ATOM 0 HZ3 LYS A 14 -3.116 10.555 -18.466 1.00 54.42 H new ATOM 203 N ARG A 15 -3.669 13.997 -13.184 1.00 35.22 N ATOM 204 CA ARG A 15 -4.988 14.611 -13.271 1.00 32.21 C ATOM 205 C ARG A 15 -5.075 15.844 -12.377 1.00 42.32 C ATOM 206 O ARG A 15 -5.643 16.865 -12.765 1.00 2.51 O ATOM 207 CB ARG A 15 -6.070 13.603 -12.875 1.00 51.20 C ATOM 208 CG ARG A 15 -6.662 12.850 -14.055 1.00 31.12 C ATOM 209 CD ARG A 15 -5.586 12.133 -14.855 1.00 20.31 C ATOM 210 NE ARG A 15 -5.243 12.851 -16.080 1.00 1.43 N ATOM 211 CZ ARG A 15 -5.972 12.799 -17.190 1.00 40.25 C ATOM 212 NH1 ARG A 15 -7.077 12.067 -17.228 1.00 54.24 N ATOM 213 NH2 ARG A 15 -5.595 13.481 -18.264 1.00 2.44 N ATOM 0 H ARG A 15 -3.636 13.145 -12.624 1.00 35.22 H new ATOM 0 HA ARG A 15 -5.149 14.921 -14.304 1.00 32.21 H new ATOM 0 HB2 ARG A 15 -5.646 12.885 -12.172 1.00 51.20 H new ATOM 0 HB3 ARG A 15 -6.869 14.128 -12.352 1.00 51.20 H new ATOM 0 HG2 ARG A 15 -7.393 12.126 -13.696 1.00 31.12 H new ATOM 0 HG3 ARG A 15 -7.195 13.547 -14.702 1.00 31.12 H new ATOM 0 HD2 ARG A 15 -4.693 12.019 -14.240 1.00 20.31 H new ATOM 0 HD3 ARG A 15 -5.930 11.130 -15.107 1.00 20.31 H new ATOM 0 HE ARG A 15 -4.399 13.423 -16.084 1.00 1.43 H new ATOM 0 HH11 ARG A 15 -7.370 11.542 -16.404 1.00 54.24 H new ATOM 0 HH12 ARG A 15 -7.634 12.029 -18.081 1.00 54.24 H new ATOM 0 HH21 ARG A 15 -4.746 14.045 -18.238 1.00 2.44 H new ATOM 0 HH22 ARG A 15 -6.155 13.441 -19.116 1.00 2.44 H new ATOM 227 N CYS A 16 -4.509 15.740 -11.180 1.00 5.41 N ATOM 228 CA CYS A 16 -4.523 16.847 -10.229 1.00 62.33 C ATOM 229 C CYS A 16 -3.871 18.088 -10.830 1.00 1.43 C ATOM 230 O CYS A 16 -4.163 19.213 -10.424 1.00 74.15 O ATOM 231 CB CYS A 16 -3.800 16.449 -8.941 1.00 14.24 C ATOM 232 SG CYS A 16 -3.774 17.744 -7.680 1.00 13.54 S ATOM 0 H CYS A 16 -4.035 14.901 -10.845 1.00 5.41 H new ATOM 0 HA CYS A 16 -5.562 17.081 -9.996 1.00 62.33 H new ATOM 0 HB2 CYS A 16 -4.280 15.563 -8.526 1.00 14.24 H new ATOM 0 HB3 CYS A 16 -2.774 16.172 -9.183 1.00 14.24 H new ATOM 0 HG CYS A 16 -3.143 17.313 -6.628 1.00 13.54 H new ATOM 238 N SER A 17 -2.985 17.875 -11.798 1.00 22.41 N ATOM 239 CA SER A 17 -2.287 18.976 -12.451 1.00 43.12 C ATOM 240 C SER A 17 -3.273 19.905 -13.152 1.00 30.13 C ATOM 241 O SER A 17 -2.948 21.048 -13.468 1.00 10.42 O ATOM 242 CB SER A 17 -1.271 18.437 -13.460 1.00 34.31 C ATOM 243 OG SER A 17 -1.812 18.424 -14.770 1.00 53.14 O ATOM 0 H SER A 17 -2.734 16.950 -12.147 1.00 22.41 H new ATOM 0 HA SER A 17 -1.761 19.545 -11.685 1.00 43.12 H new ATOM 0 HB2 SER A 17 -0.372 19.053 -13.440 1.00 34.31 H new ATOM 0 HB3 SER A 17 -0.972 17.428 -13.176 1.00 34.31 H new ATOM 0 HG SER A 17 -2.191 17.540 -14.958 1.00 53.14 H new ATOM 249 N ASN A 18 -4.480 19.404 -13.393 1.00 22.24 N ATOM 250 CA ASN A 18 -5.515 20.187 -14.057 1.00 41.31 C ATOM 251 C ASN A 18 -6.436 20.848 -13.036 1.00 12.25 C ATOM 252 O ASN A 18 -7.597 21.137 -13.326 1.00 20.42 O ATOM 253 CB ASN A 18 -6.332 19.300 -14.998 1.00 63.10 C ATOM 254 CG ASN A 18 -7.135 20.105 -16.001 1.00 4.23 C ATOM 255 OD1 ASN A 18 -7.179 21.333 -15.934 1.00 0.02 O ATOM 256 ND2 ASN A 18 -7.778 19.414 -16.936 1.00 64.34 N ATOM 0 H ASN A 18 -4.765 18.459 -13.138 1.00 22.24 H new ATOM 0 HA ASN A 18 -5.026 20.968 -14.639 1.00 41.31 H new ATOM 0 HB2 ASN A 18 -5.661 18.626 -15.531 1.00 63.10 H new ATOM 0 HB3 ASN A 18 -7.008 18.678 -14.411 1.00 63.10 H new ATOM 0 HD21 ASN A 18 -8.337 19.901 -17.637 1.00 64.34 H new ATOM 0 HD22 ASN A 18 -7.713 18.396 -16.953 1.00 64.34 H new ATOM 263 N VAL A 19 -5.910 21.087 -11.839 1.00 61.03 N ATOM 264 CA VAL A 19 -6.684 21.715 -10.775 1.00 11.10 C ATOM 265 C VAL A 19 -5.965 22.942 -10.224 1.00 35.13 C ATOM 266 O VAL A 19 -4.824 22.855 -9.773 1.00 40.20 O ATOM 267 CB VAL A 19 -6.954 20.731 -9.621 1.00 3.12 C ATOM 268 CG1 VAL A 19 -7.697 21.426 -8.490 1.00 62.41 C ATOM 269 CG2 VAL A 19 -7.734 19.525 -10.121 1.00 15.44 C ATOM 0 H VAL A 19 -4.951 20.855 -11.582 1.00 61.03 H new ATOM 0 HA VAL A 19 -7.635 22.020 -11.213 1.00 11.10 H new ATOM 0 HB VAL A 19 -5.997 20.380 -9.234 1.00 3.12 H new ATOM 0 HG11 VAL A 19 -7.879 20.716 -7.684 1.00 62.41 H new ATOM 0 HG12 VAL A 19 -7.096 22.254 -8.115 1.00 62.41 H new ATOM 0 HG13 VAL A 19 -8.649 21.807 -8.860 1.00 62.41 H new ATOM 0 HG21 VAL A 19 -7.916 18.840 -9.293 1.00 15.44 H new ATOM 0 HG22 VAL A 19 -8.687 19.854 -10.535 1.00 15.44 H new ATOM 0 HG23 VAL A 19 -7.159 19.015 -10.894 1.00 15.44 H new ATOM 279 N ALA A 20 -6.642 24.085 -10.263 1.00 34.22 N ATOM 280 CA ALA A 20 -6.070 25.330 -9.767 1.00 44.33 C ATOM 281 C ALA A 20 -5.640 25.193 -8.310 1.00 60.01 C ATOM 282 O ALA A 20 -6.100 24.300 -7.598 1.00 42.52 O ATOM 283 CB ALA A 20 -7.068 26.468 -9.920 1.00 22.32 C ATOM 0 H ALA A 20 -7.588 24.174 -10.633 1.00 34.22 H new ATOM 0 HA ALA A 20 -5.185 25.557 -10.361 1.00 44.33 H new ATOM 0 HB1 ALA A 20 -6.627 27.392 -9.545 1.00 22.32 H new ATOM 0 HB2 ALA A 20 -7.323 26.589 -10.973 1.00 22.32 H new ATOM 0 HB3 ALA A 20 -7.970 26.240 -9.352 1.00 22.32 H new ATOM 289 N VAL A 21 -4.755 26.083 -7.873 1.00 62.31 N ATOM 290 CA VAL A 21 -4.263 26.061 -6.501 1.00 44.13 C ATOM 291 C VAL A 21 -4.997 27.081 -5.637 1.00 12.30 C ATOM 292 O VAL A 21 -5.108 26.917 -4.423 1.00 13.04 O ATOM 293 CB VAL A 21 -2.750 26.348 -6.442 1.00 3.45 C ATOM 294 CG1 VAL A 21 -2.421 27.632 -7.189 1.00 74.50 C ATOM 295 CG2 VAL A 21 -2.280 26.427 -4.997 1.00 40.31 C ATOM 0 H VAL A 21 -4.364 26.828 -8.449 1.00 62.31 H new ATOM 0 HA VAL A 21 -4.451 25.059 -6.114 1.00 44.13 H new ATOM 0 HB VAL A 21 -2.222 25.528 -6.928 1.00 3.45 H new ATOM 0 HG11 VAL A 21 -1.348 27.819 -7.137 1.00 74.50 H new ATOM 0 HG12 VAL A 21 -2.722 27.533 -8.232 1.00 74.50 H new ATOM 0 HG13 VAL A 21 -2.957 28.465 -6.734 1.00 74.50 H new ATOM 0 HG21 VAL A 21 -1.209 26.630 -4.973 1.00 40.31 H new ATOM 0 HG22 VAL A 21 -2.813 27.228 -4.484 1.00 40.31 H new ATOM 0 HG23 VAL A 21 -2.481 25.480 -4.497 1.00 40.31 H new ATOM 375 N LYS A 28 -2.339 29.234 -10.879 1.00 61.54 N ATOM 376 CA LYS A 28 -1.485 28.078 -11.124 1.00 21.43 C ATOM 377 C LYS A 28 -2.200 26.784 -10.747 1.00 22.33 C ATOM 378 O LYS A 28 -3.247 26.807 -10.100 1.00 23.03 O ATOM 379 CB LYS A 28 -0.182 28.202 -10.333 1.00 73.01 C ATOM 380 CG LYS A 28 1.047 27.763 -11.111 1.00 23.13 C ATOM 381 CD LYS A 28 2.299 28.474 -10.625 1.00 30.14 C ATOM 382 CE LYS A 28 3.134 28.989 -11.787 1.00 32.24 C ATOM 383 NZ LYS A 28 4.375 29.668 -11.320 1.00 22.02 N ATOM 0 HA LYS A 28 -1.254 28.048 -12.189 1.00 21.43 H new ATOM 0 HB2 LYS A 28 -0.053 29.239 -10.022 1.00 73.01 H new ATOM 0 HB3 LYS A 28 -0.260 27.604 -9.425 1.00 73.01 H new ATOM 0 HG2 LYS A 28 1.177 26.686 -11.010 1.00 23.13 H new ATOM 0 HG3 LYS A 28 0.900 27.968 -12.171 1.00 23.13 H new ATOM 0 HD2 LYS A 28 2.019 29.307 -9.980 1.00 30.14 H new ATOM 0 HD3 LYS A 28 2.896 27.790 -10.022 1.00 30.14 H new ATOM 0 HE2 LYS A 28 3.399 28.158 -12.441 1.00 32.24 H new ATOM 0 HE3 LYS A 28 2.541 29.685 -12.380 1.00 32.24 H new ATOM 0 HZ1 LYS A 28 4.917 30.005 -12.141 1.00 22.02 H new ATOM 0 HZ2 LYS A 28 4.122 30.477 -10.717 1.00 22.02 H new ATOM 0 HZ3 LYS A 28 4.954 28.997 -10.775 1.00 22.02 H new ATOM 397 N LYS A 29 -1.626 25.656 -11.153 1.00 3.34 N ATOM 398 CA LYS A 29 -2.207 24.352 -10.854 1.00 51.21 C ATOM 399 C LYS A 29 -1.276 23.533 -9.965 1.00 4.31 C ATOM 400 O LYS A 29 -0.116 23.893 -9.764 1.00 34.04 O ATOM 401 CB LYS A 29 -2.492 23.590 -12.150 1.00 22.50 C ATOM 402 CG LYS A 29 -3.173 24.432 -13.214 1.00 52.52 C ATOM 403 CD LYS A 29 -2.254 24.687 -14.396 1.00 74.23 C ATOM 404 CE LYS A 29 -2.847 25.710 -15.354 1.00 44.21 C ATOM 405 NZ LYS A 29 -2.390 27.093 -15.040 1.00 21.44 N ATOM 0 H LYS A 29 -0.759 25.619 -11.690 1.00 3.34 H new ATOM 0 HA LYS A 29 -3.143 24.512 -10.320 1.00 51.21 H new ATOM 0 HB2 LYS A 29 -1.554 23.205 -12.549 1.00 22.50 H new ATOM 0 HB3 LYS A 29 -3.120 22.728 -11.924 1.00 22.50 H new ATOM 0 HG2 LYS A 29 -4.076 23.926 -13.556 1.00 52.52 H new ATOM 0 HG3 LYS A 29 -3.484 25.383 -12.782 1.00 52.52 H new ATOM 0 HD2 LYS A 29 -1.288 25.041 -14.037 1.00 74.23 H new ATOM 0 HD3 LYS A 29 -2.074 23.752 -14.926 1.00 74.23 H new ATOM 0 HE2 LYS A 29 -2.565 25.457 -16.376 1.00 44.21 H new ATOM 0 HE3 LYS A 29 -3.935 25.667 -15.304 1.00 44.21 H new ATOM 0 HZ1 LYS A 29 -2.815 27.761 -15.714 1.00 21.44 H new ATOM 0 HZ2 LYS A 29 -2.681 27.344 -14.074 1.00 21.44 H new ATOM 0 HZ3 LYS A 29 -1.354 27.141 -15.112 1.00 21.44 H new ATOM 419 N PHE A 30 -1.793 22.430 -9.433 1.00 71.13 N ATOM 420 CA PHE A 30 -1.008 21.560 -8.565 1.00 72.24 C ATOM 421 C PHE A 30 0.025 20.776 -9.370 1.00 21.02 C ATOM 422 O PHE A 30 0.152 20.957 -10.580 1.00 54.44 O ATOM 423 CB PHE A 30 -1.925 20.593 -7.813 1.00 40.44 C ATOM 424 CG PHE A 30 -2.036 20.893 -6.345 1.00 0.33 C ATOM 425 CD1 PHE A 30 -1.946 19.876 -5.408 1.00 52.54 C ATOM 426 CD2 PHE A 30 -2.231 22.192 -5.902 1.00 62.30 C ATOM 427 CE1 PHE A 30 -2.047 20.148 -4.057 1.00 22.32 C ATOM 428 CE2 PHE A 30 -2.333 22.469 -4.552 1.00 10.11 C ATOM 429 CZ PHE A 30 -2.242 21.447 -3.629 1.00 22.22 C ATOM 0 H PHE A 30 -2.752 22.118 -9.588 1.00 71.13 H new ATOM 0 HA PHE A 30 -0.482 22.187 -7.845 1.00 72.24 H new ATOM 0 HB2 PHE A 30 -2.919 20.626 -8.259 1.00 40.44 H new ATOM 0 HB3 PHE A 30 -1.552 19.577 -7.941 1.00 40.44 H new ATOM 0 HD1 PHE A 30 -1.795 18.859 -5.738 1.00 52.54 H new ATOM 0 HD2 PHE A 30 -2.304 22.996 -6.619 1.00 62.30 H new ATOM 0 HE1 PHE A 30 -1.974 19.346 -3.337 1.00 22.32 H new ATOM 0 HE2 PHE A 30 -2.484 23.485 -4.219 1.00 10.11 H new ATOM 0 HZ PHE A 30 -2.323 21.662 -2.574 1.00 22.22 H new ATOM 439 N GLY A 31 0.761 19.904 -8.688 1.00 71.13 N ATOM 440 CA GLY A 31 1.773 19.107 -9.355 1.00 63.41 C ATOM 441 C GLY A 31 2.467 18.144 -8.411 1.00 32.52 C ATOM 442 O GLY A 31 2.195 18.138 -7.211 1.00 44.13 O ATOM 0 H GLY A 31 0.674 19.736 -7.686 1.00 71.13 H new ATOM 0 HA2 GLY A 31 1.312 18.546 -10.168 1.00 63.41 H new ATOM 0 HA3 GLY A 31 2.514 19.768 -9.804 1.00 63.41 H new ATOM 446 N GLU A 32 3.363 17.327 -8.955 1.00 52.32 N ATOM 447 CA GLU A 32 4.096 16.354 -8.153 1.00 2.43 C ATOM 448 C GLU A 32 4.795 17.033 -6.978 1.00 32.23 C ATOM 449 O GLU A 32 5.020 16.419 -5.936 1.00 34.04 O ATOM 450 CB GLU A 32 5.124 15.619 -9.015 1.00 14.11 C ATOM 451 CG GLU A 32 5.722 14.396 -8.340 1.00 32.41 C ATOM 452 CD GLU A 32 7.087 14.034 -8.892 1.00 40.31 C ATOM 453 OE1 GLU A 32 8.086 14.632 -8.439 1.00 64.23 O ATOM 454 OE2 GLU A 32 7.157 13.155 -9.776 1.00 31.44 O ATOM 0 H GLU A 32 3.599 17.319 -9.947 1.00 52.32 H new ATOM 0 HA GLU A 32 3.379 15.633 -7.760 1.00 2.43 H new ATOM 0 HB2 GLU A 32 4.651 15.313 -9.948 1.00 14.11 H new ATOM 0 HB3 GLU A 32 5.927 16.309 -9.275 1.00 14.11 H new ATOM 0 HG2 GLU A 32 5.805 14.581 -7.269 1.00 32.41 H new ATOM 0 HG3 GLU A 32 5.047 13.549 -8.466 1.00 32.41 H new ATOM 461 N GLY A 33 5.134 18.307 -7.156 1.00 64.45 N ATOM 462 CA GLY A 33 5.805 19.048 -6.104 1.00 0.44 C ATOM 463 C GLY A 33 4.865 19.438 -4.980 1.00 15.44 C ATOM 464 O GLY A 33 5.028 18.999 -3.843 1.00 61.23 O ATOM 0 H GLY A 33 4.956 18.838 -8.009 1.00 64.45 H new ATOM 0 HA2 GLY A 33 6.618 18.445 -5.701 1.00 0.44 H new ATOM 0 HA3 GLY A 33 6.254 19.947 -6.526 1.00 0.44 H new ATOM 468 N ASN A 34 3.876 20.269 -5.299 1.00 40.43 N ATOM 469 CA ASN A 34 2.908 20.721 -4.308 1.00 1.24 C ATOM 470 C ASN A 34 2.248 19.533 -3.611 1.00 54.44 C ATOM 471 O ASN A 34 1.948 19.589 -2.419 1.00 23.35 O ATOM 472 CB ASN A 34 1.841 21.596 -4.969 1.00 5.33 C ATOM 473 CG ASN A 34 1.744 22.969 -4.332 1.00 50.23 C ATOM 474 OD1 ASN A 34 0.718 23.328 -3.754 1.00 30.52 O ATOM 475 ND2 ASN A 34 2.816 23.746 -4.437 1.00 44.22 N ATOM 0 H ASN A 34 3.725 20.642 -6.236 1.00 40.43 H new ATOM 0 HA ASN A 34 3.439 21.310 -3.560 1.00 1.24 H new ATOM 0 HB2 ASN A 34 2.070 21.706 -6.029 1.00 5.33 H new ATOM 0 HB3 ASN A 34 0.874 21.098 -4.902 1.00 5.33 H new ATOM 0 HD21 ASN A 34 2.810 24.681 -4.030 1.00 44.22 H new ATOM 0 HD22 ASN A 34 3.645 23.408 -4.925 1.00 44.22 H new ATOM 482 N PHE A 35 2.027 18.462 -4.364 1.00 32.41 N ATOM 483 CA PHE A 35 1.403 17.261 -3.820 1.00 34.20 C ATOM 484 C PHE A 35 2.305 16.602 -2.781 1.00 74.43 C ATOM 485 O PHE A 35 1.937 16.475 -1.614 1.00 35.05 O ATOM 486 CB PHE A 35 1.090 16.270 -4.943 1.00 31.41 C ATOM 487 CG PHE A 35 0.629 14.929 -4.448 1.00 51.42 C ATOM 488 CD1 PHE A 35 -0.489 14.822 -3.637 1.00 4.23 C ATOM 489 CD2 PHE A 35 1.314 13.776 -4.792 1.00 74.53 C ATOM 490 CE1 PHE A 35 -0.916 13.590 -3.179 1.00 35.13 C ATOM 491 CE2 PHE A 35 0.892 12.540 -4.339 1.00 44.40 C ATOM 492 CZ PHE A 35 -0.225 12.447 -3.530 1.00 41.34 C ATOM 0 H PHE A 35 2.270 18.400 -5.353 1.00 32.41 H new ATOM 0 HA PHE A 35 0.473 17.554 -3.334 1.00 34.20 H new ATOM 0 HB2 PHE A 35 0.320 16.695 -5.587 1.00 31.41 H new ATOM 0 HB3 PHE A 35 1.981 16.135 -5.557 1.00 31.41 H new ATOM 0 HD1 PHE A 35 -1.034 15.712 -3.359 1.00 4.23 H new ATOM 0 HD2 PHE A 35 2.189 13.843 -5.422 1.00 74.53 H new ATOM 0 HE1 PHE A 35 -1.789 13.521 -2.547 1.00 35.13 H new ATOM 0 HE2 PHE A 35 1.434 11.648 -4.617 1.00 44.40 H new ATOM 0 HZ PHE A 35 -0.556 11.483 -3.173 1.00 41.34 H new ATOM 502 N ARG A 36 3.490 16.184 -3.216 1.00 3.31 N ATOM 503 CA ARG A 36 4.445 15.537 -2.325 1.00 25.22 C ATOM 504 C ARG A 36 4.802 16.448 -1.155 1.00 41.21 C ATOM 505 O ARG A 36 5.240 15.983 -0.103 1.00 25.21 O ATOM 506 CB ARG A 36 5.712 15.154 -3.092 1.00 71.34 C ATOM 507 CG ARG A 36 5.470 14.141 -4.200 1.00 52.03 C ATOM 508 CD ARG A 36 5.327 12.733 -3.646 1.00 63.00 C ATOM 509 NE ARG A 36 6.571 12.247 -3.054 1.00 52.05 N ATOM 510 CZ ARG A 36 6.762 10.989 -2.673 1.00 10.51 C ATOM 511 NH1 ARG A 36 5.795 10.094 -2.819 1.00 55.12 N ATOM 512 NH2 ARG A 36 7.922 10.625 -2.142 1.00 74.33 N ATOM 0 H ARG A 36 3.811 16.282 -4.179 1.00 3.31 H new ATOM 0 HA ARG A 36 3.980 14.634 -1.930 1.00 25.22 H new ATOM 0 HB2 ARG A 36 6.152 16.053 -3.523 1.00 71.34 H new ATOM 0 HB3 ARG A 36 6.441 14.747 -2.392 1.00 71.34 H new ATOM 0 HG2 ARG A 36 4.568 14.410 -4.750 1.00 52.03 H new ATOM 0 HG3 ARG A 36 6.297 14.172 -4.909 1.00 52.03 H new ATOM 0 HD2 ARG A 36 4.538 12.718 -2.894 1.00 63.00 H new ATOM 0 HD3 ARG A 36 5.019 12.059 -4.445 1.00 63.00 H new ATOM 0 HE ARG A 36 7.335 12.910 -2.926 1.00 52.05 H new ATOM 0 HH11 ARG A 36 4.901 10.371 -3.225 1.00 55.12 H new ATOM 0 HH12 ARG A 36 5.945 9.129 -2.525 1.00 55.12 H new ATOM 0 HH21 ARG A 36 8.668 11.311 -2.026 1.00 74.33 H new ATOM 0 HH22 ARG A 36 8.068 9.659 -1.850 1.00 74.33 H new ATOM 526 N TRP A 37 4.614 17.749 -1.346 1.00 73.24 N ATOM 527 CA TRP A 37 4.917 18.726 -0.308 1.00 43.41 C ATOM 528 C TRP A 37 3.938 18.607 0.854 1.00 14.55 C ATOM 529 O TRP A 37 4.342 18.470 2.008 1.00 50.13 O ATOM 530 CB TRP A 37 4.875 20.142 -0.883 1.00 12.53 C ATOM 531 CG TRP A 37 4.835 21.211 0.168 1.00 63.52 C ATOM 532 CD1 TRP A 37 5.904 21.791 0.788 1.00 41.22 C ATOM 533 CD2 TRP A 37 3.666 21.823 0.724 1.00 10.31 C ATOM 534 NE1 TRP A 37 5.471 22.727 1.696 1.00 34.50 N ATOM 535 CE2 TRP A 37 4.102 22.766 1.674 1.00 1.10 C ATOM 536 CE3 TRP A 37 2.294 21.667 0.510 1.00 15.42 C ATOM 537 CZ2 TRP A 37 3.214 23.548 2.409 1.00 13.10 C ATOM 538 CZ3 TRP A 37 1.414 22.445 1.239 1.00 24.41 C ATOM 539 CH2 TRP A 37 1.877 23.375 2.179 1.00 15.23 C ATOM 0 H TRP A 37 4.253 18.151 -2.211 1.00 73.24 H new ATOM 0 HA TRP A 37 5.921 18.523 0.065 1.00 43.41 H new ATOM 0 HB2 TRP A 37 5.750 20.296 -1.514 1.00 12.53 H new ATOM 0 HB3 TRP A 37 3.999 20.240 -1.524 1.00 12.53 H new ATOM 0 HD1 TRP A 37 6.939 21.550 0.593 1.00 41.22 H new ATOM 0 HE1 TRP A 37 6.071 23.299 2.290 1.00 34.50 H new ATOM 0 HE3 TRP A 37 1.928 20.952 -0.212 1.00 15.42 H new ATOM 0 HZ2 TRP A 37 3.569 24.265 3.134 1.00 13.10 H new ATOM 0 HZ3 TRP A 37 0.351 22.334 1.081 1.00 24.41 H new ATOM 0 HH2 TRP A 37 1.164 23.967 2.733 1.00 15.23 H new ATOM 550 N ALA A 38 2.646 18.660 0.542 1.00 63.31 N ATOM 551 CA ALA A 38 1.609 18.555 1.561 1.00 11.33 C ATOM 552 C ALA A 38 1.526 17.138 2.116 1.00 22.31 C ATOM 553 O ALA A 38 1.244 16.939 3.298 1.00 44.22 O ATOM 554 CB ALA A 38 0.264 18.981 0.991 1.00 33.52 C ATOM 0 H ALA A 38 2.293 18.775 -0.408 1.00 63.31 H new ATOM 0 HA ALA A 38 1.871 19.223 2.381 1.00 11.33 H new ATOM 0 HB1 ALA A 38 -0.501 18.898 1.763 1.00 33.52 H new ATOM 0 HB2 ALA A 38 0.324 20.015 0.650 1.00 33.52 H new ATOM 0 HB3 ALA A 38 0.004 18.336 0.151 1.00 33.52 H new ATOM 560 N ILE A 39 1.771 16.155 1.255 1.00 23.45 N ATOM 561 CA ILE A 39 1.724 14.755 1.661 1.00 52.12 C ATOM 562 C ILE A 39 2.770 14.458 2.730 1.00 30.32 C ATOM 563 O ILE A 39 2.453 13.913 3.788 1.00 61.41 O ATOM 564 CB ILE A 39 1.948 13.814 0.463 1.00 2.22 C ATOM 565 CG1 ILE A 39 0.750 13.868 -0.487 1.00 42.04 C ATOM 566 CG2 ILE A 39 2.186 12.391 0.944 1.00 1.35 C ATOM 567 CD1 ILE A 39 -0.513 13.278 0.099 1.00 61.42 C ATOM 0 H ILE A 39 2.004 16.302 0.273 1.00 23.45 H new ATOM 0 HA ILE A 39 0.729 14.578 2.070 1.00 52.12 H new ATOM 0 HB ILE A 39 2.833 14.146 -0.080 1.00 2.22 H new ATOM 0 HG12 ILE A 39 0.562 14.906 -0.763 1.00 42.04 H new ATOM 0 HG13 ILE A 39 0.999 13.334 -1.404 1.00 42.04 H new ATOM 0 HG21 ILE A 39 2.343 11.738 0.085 1.00 1.35 H new ATOM 0 HG22 ILE A 39 3.068 12.366 1.584 1.00 1.35 H new ATOM 0 HG23 ILE A 39 1.318 12.048 1.508 1.00 1.35 H new ATOM 0 HD11 ILE A 39 -1.320 13.350 -0.630 1.00 61.42 H new ATOM 0 HD12 ILE A 39 -0.343 12.231 0.350 1.00 61.42 H new ATOM 0 HD13 ILE A 39 -0.787 13.827 1.000 1.00 61.42 H new ATOM 579 N ARG A 40 4.016 14.820 2.447 1.00 43.14 N ATOM 580 CA ARG A 40 5.110 14.592 3.386 1.00 15.13 C ATOM 581 C ARG A 40 4.875 15.351 4.688 1.00 23.43 C ATOM 582 O ARG A 40 4.959 14.778 5.775 1.00 52.43 O ATOM 583 CB ARG A 40 6.440 15.022 2.765 1.00 72.42 C ATOM 584 CG ARG A 40 7.653 14.643 3.600 1.00 32.44 C ATOM 585 CD ARG A 40 8.882 14.425 2.731 1.00 14.53 C ATOM 586 NE ARG A 40 9.747 15.601 2.705 1.00 74.35 N ATOM 587 CZ ARG A 40 10.568 15.931 3.696 1.00 31.03 C ATOM 588 NH1 ARG A 40 10.634 15.179 4.785 1.00 23.51 N ATOM 589 NH2 ARG A 40 11.325 17.017 3.598 1.00 61.23 N ATOM 0 H ARG A 40 4.295 15.272 1.576 1.00 43.14 H new ATOM 0 HA ARG A 40 5.149 13.526 3.609 1.00 15.13 H new ATOM 0 HB2 ARG A 40 6.533 14.570 1.778 1.00 72.42 H new ATOM 0 HB3 ARG A 40 6.432 16.102 2.621 1.00 72.42 H new ATOM 0 HG2 ARG A 40 7.855 15.429 4.327 1.00 32.44 H new ATOM 0 HG3 ARG A 40 7.439 13.735 4.163 1.00 32.44 H new ATOM 0 HD2 ARG A 40 9.444 13.569 3.105 1.00 14.53 H new ATOM 0 HD3 ARG A 40 8.570 14.182 1.715 1.00 14.53 H new ATOM 0 HE ARG A 40 9.719 16.202 1.881 1.00 74.35 H new ATOM 0 HH11 ARG A 40 10.053 14.344 4.864 1.00 23.51 H new ATOM 0 HH12 ARG A 40 11.265 15.435 5.544 1.00 23.51 H new ATOM 0 HH21 ARG A 40 11.277 17.599 2.762 1.00 61.23 H new ATOM 0 HH22 ARG A 40 11.955 17.270 4.359 1.00 61.23 H new ATOM 603 N MET A 41 4.581 16.642 4.571 1.00 70.33 N ATOM 604 CA MET A 41 4.333 17.478 5.739 1.00 64.23 C ATOM 605 C MET A 41 3.170 16.933 6.562 1.00 52.24 C ATOM 606 O MET A 41 3.289 16.741 7.772 1.00 71.34 O ATOM 607 CB MET A 41 4.040 18.917 5.311 1.00 72.21 C ATOM 608 CG MET A 41 5.237 19.624 4.695 1.00 23.11 C ATOM 609 SD MET A 41 6.024 20.777 5.835 1.00 44.24 S ATOM 610 CE MET A 41 7.658 20.054 5.973 1.00 42.20 C ATOM 0 H MET A 41 4.509 17.131 3.679 1.00 70.33 H new ATOM 0 HA MET A 41 5.230 17.467 6.359 1.00 64.23 H new ATOM 0 HB2 MET A 41 3.221 18.914 4.592 1.00 72.21 H new ATOM 0 HB3 MET A 41 3.701 19.483 6.178 1.00 72.21 H new ATOM 0 HG2 MET A 41 5.967 18.881 4.374 1.00 23.11 H new ATOM 0 HG3 MET A 41 4.917 20.162 3.803 1.00 23.11 H new ATOM 0 HE1 MET A 41 8.267 20.656 6.648 1.00 42.20 H new ATOM 0 HE2 MET A 41 7.575 19.041 6.366 1.00 42.20 H new ATOM 0 HE3 MET A 41 8.127 20.025 4.990 1.00 42.20 H new ATOM 620 N ALA A 42 2.046 16.687 5.897 1.00 63.35 N ATOM 621 CA ALA A 42 0.862 16.162 6.567 1.00 71.12 C ATOM 622 C ALA A 42 1.193 14.905 7.363 1.00 62.44 C ATOM 623 O ALA A 42 0.651 14.682 8.444 1.00 43.33 O ATOM 624 CB ALA A 42 -0.234 15.874 5.552 1.00 63.45 C ATOM 0 H ALA A 42 1.930 16.843 4.896 1.00 63.35 H new ATOM 0 HA ALA A 42 0.505 16.918 7.266 1.00 71.12 H new ATOM 0 HB1 ALA A 42 -1.112 15.483 6.066 1.00 63.45 H new ATOM 0 HB2 ALA A 42 -0.499 16.794 5.031 1.00 63.45 H new ATOM 0 HB3 ALA A 42 0.122 15.138 4.831 1.00 63.45 H new ATOM 630 N ASN A 43 2.087 14.084 6.820 1.00 54.54 N ATOM 631 CA ASN A 43 2.489 12.848 7.480 1.00 72.44 C ATOM 632 C ASN A 43 3.199 13.140 8.798 1.00 72.52 C ATOM 633 O ASN A 43 2.781 12.673 9.857 1.00 63.54 O ATOM 634 CB ASN A 43 3.405 12.032 6.565 1.00 61.52 C ATOM 635 CG ASN A 43 2.701 11.572 5.302 1.00 60.55 C ATOM 636 OD1 ASN A 43 1.487 11.718 5.167 1.00 11.44 O ATOM 637 ND2 ASN A 43 3.463 11.012 4.370 1.00 52.40 N ATOM 0 H ASN A 43 2.546 14.253 5.925 1.00 54.54 H new ATOM 0 HA ASN A 43 1.589 12.270 7.693 1.00 72.44 H new ATOM 0 HB2 ASN A 43 4.273 12.633 6.295 1.00 61.52 H new ATOM 0 HB3 ASN A 43 3.776 11.163 7.108 1.00 61.52 H new ATOM 0 HD21 ASN A 43 3.045 10.683 3.500 1.00 52.40 H new ATOM 0 HD22 ASN A 43 4.466 10.911 4.524 1.00 52.40 H new ATOM 644 N VAL A 44 4.274 13.917 8.725 1.00 41.34 N ATOM 645 CA VAL A 44 5.042 14.275 9.912 1.00 4.24 C ATOM 646 C VAL A 44 4.184 15.046 10.909 1.00 2.33 C ATOM 647 O VAL A 44 4.302 14.859 12.120 1.00 4.21 O ATOM 648 CB VAL A 44 6.275 15.123 9.549 1.00 62.53 C ATOM 649 CG1 VAL A 44 7.064 15.480 10.800 1.00 53.34 C ATOM 650 CG2 VAL A 44 7.153 14.386 8.548 1.00 5.23 C ATOM 0 H VAL A 44 4.634 14.311 7.856 1.00 41.34 H new ATOM 0 HA VAL A 44 5.374 13.342 10.367 1.00 4.24 H new ATOM 0 HB VAL A 44 5.934 16.049 9.086 1.00 62.53 H new ATOM 0 HG11 VAL A 44 7.932 16.079 10.524 1.00 53.34 H new ATOM 0 HG12 VAL A 44 6.430 16.050 11.479 1.00 53.34 H new ATOM 0 HG13 VAL A 44 7.396 14.567 11.294 1.00 53.34 H new ATOM 0 HG21 VAL A 44 8.020 15.000 8.303 1.00 5.23 H new ATOM 0 HG22 VAL A 44 7.487 13.444 8.982 1.00 5.23 H new ATOM 0 HG23 VAL A 44 6.582 14.186 7.641 1.00 5.23 H new ATOM 660 N SER A 45 3.320 15.913 10.391 1.00 44.52 N ATOM 661 CA SER A 45 2.443 16.716 11.237 1.00 65.15 C ATOM 662 C SER A 45 1.442 15.832 11.975 1.00 63.22 C ATOM 663 O SER A 45 0.923 16.207 13.027 1.00 24.41 O ATOM 664 CB SER A 45 1.700 17.755 10.395 1.00 44.21 C ATOM 665 OG SER A 45 0.369 17.922 10.851 1.00 74.41 O ATOM 0 H SER A 45 3.208 16.078 9.391 1.00 44.52 H new ATOM 0 HA SER A 45 3.060 17.230 11.974 1.00 65.15 H new ATOM 0 HB2 SER A 45 2.226 18.709 10.441 1.00 44.21 H new ATOM 0 HB3 SER A 45 1.694 17.444 9.350 1.00 44.21 H new ATOM 0 HG SER A 45 -0.085 18.592 10.298 1.00 74.41 H new ATOM 671 N THR A 46 1.176 14.655 11.417 1.00 54.12 N ATOM 672 CA THR A 46 0.237 13.718 12.020 1.00 54.44 C ATOM 673 C THR A 46 0.967 12.530 12.636 1.00 2.25 C ATOM 674 O THR A 46 0.341 11.614 13.169 1.00 73.34 O ATOM 675 CB THR A 46 -0.782 13.201 10.986 1.00 3.34 C ATOM 676 OG1 THR A 46 -0.097 12.637 9.863 1.00 1.34 O ATOM 677 CG2 THR A 46 -1.696 14.324 10.519 1.00 45.44 C ATOM 0 H THR A 46 1.598 14.328 10.548 1.00 54.12 H new ATOM 0 HA THR A 46 -0.294 14.260 12.802 1.00 54.44 H new ATOM 0 HB THR A 46 -1.392 12.433 11.462 1.00 3.34 H new ATOM 0 HG1 THR A 46 0.352 13.350 9.362 1.00 1.34 H new ATOM 0 HG21 THR A 46 -2.407 13.935 9.790 1.00 45.44 H new ATOM 0 HG22 THR A 46 -2.238 14.731 11.373 1.00 45.44 H new ATOM 0 HG23 THR A 46 -1.099 15.112 10.060 1.00 45.44 H new ATOM 685 N GLY A 47 2.293 12.551 12.560 1.00 74.25 N ATOM 686 CA GLY A 47 3.086 11.469 13.115 1.00 25.01 C ATOM 687 C GLY A 47 2.633 10.108 12.626 1.00 14.14 C ATOM 688 O GLY A 47 2.663 9.130 13.372 1.00 3.54 O ATOM 0 H GLY A 47 2.833 13.298 12.124 1.00 74.25 H new ATOM 0 HA2 GLY A 47 4.133 11.617 12.850 1.00 25.01 H new ATOM 0 HA3 GLY A 47 3.025 11.499 14.203 1.00 25.01 H new ATOM 692 N ARG A 48 2.210 10.045 11.367 1.00 22.45 N ATOM 693 CA ARG A 48 1.746 8.794 10.779 1.00 30.15 C ATOM 694 C ARG A 48 2.898 8.043 10.118 1.00 12.00 C ATOM 695 O ARG A 48 2.778 7.581 8.984 1.00 70.34 O ATOM 696 CB ARG A 48 0.643 9.065 9.754 1.00 72.03 C ATOM 697 CG ARG A 48 -0.235 7.858 9.470 1.00 54.22 C ATOM 698 CD ARG A 48 -1.561 8.268 8.848 1.00 33.31 C ATOM 699 NE ARG A 48 -2.464 8.863 9.829 1.00 33.54 N ATOM 700 CZ ARG A 48 -3.192 8.153 10.683 1.00 2.52 C ATOM 701 NH1 ARG A 48 -3.122 6.829 10.678 1.00 4.14 N ATOM 702 NH2 ARG A 48 -3.991 8.767 11.547 1.00 15.21 N ATOM 0 H ARG A 48 2.179 10.845 10.735 1.00 22.45 H new ATOM 0 HA ARG A 48 1.343 8.173 11.579 1.00 30.15 H new ATOM 0 HB2 ARG A 48 0.017 9.882 10.114 1.00 72.03 H new ATOM 0 HB3 ARG A 48 1.099 9.399 8.822 1.00 72.03 H new ATOM 0 HG2 ARG A 48 0.288 7.176 8.799 1.00 54.22 H new ATOM 0 HG3 ARG A 48 -0.419 7.314 10.397 1.00 54.22 H new ATOM 0 HD2 ARG A 48 -1.379 8.981 8.043 1.00 33.31 H new ATOM 0 HD3 ARG A 48 -2.036 7.396 8.400 1.00 33.31 H new ATOM 0 HE ARG A 48 -2.540 9.880 9.860 1.00 33.54 H new ATOM 0 HH11 ARG A 48 -2.508 6.353 10.017 1.00 4.14 H new ATOM 0 HH12 ARG A 48 -3.682 6.286 11.335 1.00 4.14 H new ATOM 0 HH21 ARG A 48 -4.046 9.785 11.556 1.00 15.21 H new ATOM 0 HH22 ARG A 48 -4.550 8.220 12.202 1.00 15.21 H new ATOM 716 N GLU A 49 4.011 7.928 10.834 1.00 40.24 N ATOM 717 CA GLU A 49 5.184 7.235 10.314 1.00 43.25 C ATOM 718 C GLU A 49 5.732 7.944 9.079 1.00 45.02 C ATOM 719 O GLU A 49 5.042 8.723 8.422 1.00 53.45 O ATOM 720 CB GLU A 49 4.838 5.785 9.972 1.00 42.12 C ATOM 721 CG GLU A 49 5.338 4.781 10.998 1.00 43.04 C ATOM 722 CD GLU A 49 4.358 4.572 12.136 1.00 32.44 C ATOM 723 OE1 GLU A 49 4.773 4.697 13.307 1.00 13.31 O ATOM 724 OE2 GLU A 49 3.176 4.283 11.855 1.00 24.01 O ATOM 0 H GLU A 49 4.126 8.305 11.775 1.00 40.24 H new ATOM 0 HA GLU A 49 5.952 7.244 11.088 1.00 43.25 H new ATOM 0 HB2 GLU A 49 3.756 5.690 9.881 1.00 42.12 H new ATOM 0 HB3 GLU A 49 5.262 5.539 8.999 1.00 42.12 H new ATOM 0 HG2 GLU A 49 5.526 3.827 10.505 1.00 43.04 H new ATOM 0 HG3 GLU A 49 6.290 5.124 11.402 1.00 43.04 H new ATOM 731 N PRO A 50 7.005 7.669 8.755 1.00 20.01 N ATOM 732 CA PRO A 50 7.675 8.269 7.597 1.00 33.35 C ATOM 733 C PRO A 50 7.121 7.750 6.274 1.00 65.34 C ATOM 734 O PRO A 50 6.809 8.526 5.372 1.00 4.35 O ATOM 735 CB PRO A 50 9.134 7.842 7.771 1.00 33.11 C ATOM 736 CG PRO A 50 9.069 6.592 8.577 1.00 61.41 C ATOM 737 CD PRO A 50 7.887 6.749 9.493 1.00 53.31 C ATOM 0 HA PRO A 50 7.535 9.349 7.559 1.00 33.35 H new ATOM 0 HB2 PRO A 50 9.613 7.667 6.808 1.00 33.11 H new ATOM 0 HB3 PRO A 50 9.714 8.612 8.280 1.00 33.11 H new ATOM 0 HG2 PRO A 50 8.951 5.719 7.934 1.00 61.41 H new ATOM 0 HG3 PRO A 50 9.987 6.447 9.146 1.00 61.41 H new ATOM 0 HD2 PRO A 50 7.399 5.794 9.687 1.00 53.31 H new ATOM 0 HD3 PRO A 50 8.179 7.160 10.459 1.00 53.31 H new ATOM 745 N GLY A 51 7.003 6.430 6.164 1.00 25.01 N ATOM 746 CA GLY A 51 6.487 5.830 4.948 1.00 64.21 C ATOM 747 C GLY A 51 4.974 5.880 4.873 1.00 41.02 C ATOM 748 O GLY A 51 4.299 4.888 5.148 1.00 60.24 O ATOM 0 H GLY A 51 7.256 5.766 6.896 1.00 25.01 H new ATOM 0 HA2 GLY A 51 6.908 6.346 4.085 1.00 64.21 H new ATOM 0 HA3 GLY A 51 6.816 4.793 4.890 1.00 64.21 H new ATOM 752 N ASP A 52 4.440 7.038 4.501 1.00 51.42 N ATOM 753 CA ASP A 52 2.997 7.214 4.392 1.00 41.42 C ATOM 754 C ASP A 52 2.602 7.588 2.967 1.00 13.02 C ATOM 755 O ASP A 52 2.598 8.765 2.602 1.00 31.51 O ATOM 756 CB ASP A 52 2.518 8.291 5.367 1.00 32.12 C ATOM 757 CG ASP A 52 1.544 7.749 6.394 1.00 31.05 C ATOM 758 OD1 ASP A 52 1.719 6.591 6.827 1.00 35.44 O ATOM 759 OD2 ASP A 52 0.605 8.484 6.766 1.00 51.23 O ATOM 0 H ASP A 52 4.985 7.869 4.270 1.00 51.42 H new ATOM 0 HA ASP A 52 2.520 6.267 4.646 1.00 41.42 H new ATOM 0 HB2 ASP A 52 3.378 8.723 5.879 1.00 32.12 H new ATOM 0 HB3 ASP A 52 2.042 9.097 4.809 1.00 32.12 H new ATOM 764 N ILE A 53 2.272 6.580 2.166 1.00 51.52 N ATOM 765 CA ILE A 53 1.876 6.804 0.781 1.00 53.53 C ATOM 766 C ILE A 53 0.411 6.442 0.563 1.00 60.41 C ATOM 767 O ILE A 53 0.082 5.414 -0.031 1.00 61.32 O ATOM 768 CB ILE A 53 2.746 5.989 -0.193 1.00 23.31 C ATOM 769 CG1 ILE A 53 4.231 6.218 0.100 1.00 14.23 C ATOM 770 CG2 ILE A 53 2.421 6.358 -1.632 1.00 1.11 C ATOM 771 CD1 ILE A 53 4.649 7.668 -0.007 1.00 42.43 C ATOM 0 H ILE A 53 2.271 5.601 2.452 1.00 51.52 H new ATOM 0 HA ILE A 53 2.019 7.866 0.580 1.00 53.53 H new ATOM 0 HB ILE A 53 2.526 4.931 -0.053 1.00 23.31 H new ATOM 0 HG12 ILE A 53 4.456 5.856 1.103 1.00 14.23 H new ATOM 0 HG13 ILE A 53 4.826 5.624 -0.594 1.00 14.23 H new ATOM 0 HG21 ILE A 53 3.045 5.773 -2.307 1.00 1.11 H new ATOM 0 HG22 ILE A 53 1.371 6.147 -1.833 1.00 1.11 H new ATOM 0 HG23 ILE A 53 2.614 7.419 -1.788 1.00 1.11 H new ATOM 0 HD11 ILE A 53 5.713 7.757 0.213 1.00 42.43 H new ATOM 0 HD12 ILE A 53 4.456 8.029 -1.017 1.00 42.43 H new ATOM 0 HD13 ILE A 53 4.080 8.264 0.706 1.00 42.43 H new ATOM 783 N PRO A 54 -0.492 7.304 1.052 1.00 40.32 N ATOM 784 CA PRO A 54 -1.937 7.097 0.921 1.00 51.24 C ATOM 785 C PRO A 54 -2.417 7.258 -0.518 1.00 61.20 C ATOM 786 O PRO A 54 -2.048 8.213 -1.202 1.00 24.51 O ATOM 787 CB PRO A 54 -2.535 8.191 1.810 1.00 74.33 C ATOM 788 CG PRO A 54 -1.496 9.258 1.848 1.00 61.22 C ATOM 789 CD PRO A 54 -0.171 8.549 1.771 1.00 70.41 C ATOM 0 HA PRO A 54 -2.232 6.088 1.208 1.00 51.24 H new ATOM 0 HB2 PRO A 54 -3.473 8.566 1.400 1.00 74.33 H new ATOM 0 HB3 PRO A 54 -2.752 7.814 2.809 1.00 74.33 H new ATOM 0 HG2 PRO A 54 -1.617 9.950 1.015 1.00 61.22 H new ATOM 0 HG3 PRO A 54 -1.572 9.844 2.764 1.00 61.22 H new ATOM 0 HD2 PRO A 54 0.572 9.142 1.237 1.00 70.41 H new ATOM 0 HD3 PRO A 54 0.235 8.347 2.762 1.00 70.41 H new ATOM 797 N GLU A 55 -3.243 6.319 -0.970 1.00 13.30 N ATOM 798 CA GLU A 55 -3.774 6.360 -2.328 1.00 63.54 C ATOM 799 C GLU A 55 -5.162 5.730 -2.388 1.00 22.25 C ATOM 800 O GLU A 55 -5.484 4.997 -3.324 1.00 2.05 O ATOM 801 CB GLU A 55 -2.829 5.633 -3.289 1.00 24.45 C ATOM 802 CG GLU A 55 -3.087 5.951 -4.752 1.00 45.31 C ATOM 803 CD GLU A 55 -2.480 4.925 -5.688 1.00 50.45 C ATOM 804 OE1 GLU A 55 -2.882 3.745 -5.616 1.00 4.51 O ATOM 805 OE2 GLU A 55 -1.602 5.301 -6.493 1.00 1.33 O ATOM 0 H GLU A 55 -3.558 5.522 -0.417 1.00 13.30 H new ATOM 0 HA GLU A 55 -3.855 7.404 -2.629 1.00 63.54 H new ATOM 0 HB2 GLU A 55 -1.801 5.898 -3.044 1.00 24.45 H new ATOM 0 HB3 GLU A 55 -2.926 4.558 -3.137 1.00 24.45 H new ATOM 0 HG2 GLU A 55 -4.162 6.003 -4.924 1.00 45.31 H new ATOM 0 HG3 GLU A 55 -2.679 6.935 -4.983 1.00 45.31 H new ATOM 812 N THR A 56 -5.981 6.021 -1.382 1.00 33.50 N ATOM 813 CA THR A 56 -7.335 5.482 -1.319 1.00 1.21 C ATOM 814 C THR A 56 -8.297 6.488 -0.699 1.00 3.32 C ATOM 815 O THR A 56 -7.911 7.291 0.152 1.00 55.04 O ATOM 816 CB THR A 56 -7.382 4.175 -0.506 1.00 73.00 C ATOM 817 OG1 THR A 56 -7.240 4.461 0.890 1.00 23.20 O ATOM 818 CG2 THR A 56 -6.281 3.222 -0.949 1.00 43.44 C ATOM 0 H THR A 56 -5.731 6.626 -0.600 1.00 33.50 H new ATOM 0 HA THR A 56 -7.641 5.274 -2.344 1.00 1.21 H new ATOM 0 HB THR A 56 -8.346 3.698 -0.682 1.00 73.00 H new ATOM 0 HG1 THR A 56 -7.446 3.657 1.411 1.00 23.20 H new ATOM 0 HG21 THR A 56 -6.334 2.306 -0.361 1.00 43.44 H new ATOM 0 HG22 THR A 56 -6.409 2.983 -2.005 1.00 43.44 H new ATOM 0 HG23 THR A 56 -5.310 3.693 -0.799 1.00 43.44 H new ATOM 826 N LEU A 57 -9.553 6.439 -1.128 1.00 4.34 N ATOM 827 CA LEU A 57 -10.574 7.347 -0.613 1.00 61.24 C ATOM 828 C LEU A 57 -10.602 7.324 0.912 1.00 13.40 C ATOM 829 O LEU A 57 -10.804 8.356 1.554 1.00 23.41 O ATOM 830 CB LEU A 57 -11.948 6.966 -1.166 1.00 2.42 C ATOM 831 CG LEU A 57 -12.953 8.110 -1.311 1.00 72.21 C ATOM 832 CD1 LEU A 57 -12.417 9.174 -2.256 1.00 41.42 C ATOM 833 CD2 LEU A 57 -14.293 7.583 -1.804 1.00 44.13 C ATOM 0 H LEU A 57 -9.890 5.781 -1.831 1.00 4.34 H new ATOM 0 HA LEU A 57 -10.326 8.357 -0.938 1.00 61.24 H new ATOM 0 HB2 LEU A 57 -11.809 6.505 -2.144 1.00 2.42 H new ATOM 0 HB3 LEU A 57 -12.382 6.208 -0.515 1.00 2.42 H new ATOM 0 HG LEU A 57 -13.102 8.564 -0.331 1.00 72.21 H new ATOM 0 HD11 LEU A 57 -13.145 9.980 -2.347 1.00 41.42 H new ATOM 0 HD12 LEU A 57 -11.482 9.573 -1.862 1.00 41.42 H new ATOM 0 HD13 LEU A 57 -12.239 8.733 -3.237 1.00 41.42 H new ATOM 0 HD21 LEU A 57 -14.996 8.410 -1.901 1.00 44.13 H new ATOM 0 HD22 LEU A 57 -14.161 7.103 -2.774 1.00 44.13 H new ATOM 0 HD23 LEU A 57 -14.683 6.857 -1.090 1.00 44.13 H new ATOM 845 N ASP A 58 -10.397 6.145 1.486 1.00 33.53 N ATOM 846 CA ASP A 58 -10.397 5.988 2.936 1.00 53.33 C ATOM 847 C ASP A 58 -9.155 6.628 3.550 1.00 5.24 C ATOM 848 O ASP A 58 -9.197 7.135 4.671 1.00 1.25 O ATOM 849 CB ASP A 58 -10.461 4.507 3.311 1.00 61.44 C ATOM 850 CG ASP A 58 -11.885 4.009 3.460 1.00 2.51 C ATOM 851 OD1 ASP A 58 -12.198 3.413 4.513 1.00 54.43 O ATOM 852 OD2 ASP A 58 -12.686 4.215 2.526 1.00 33.24 O ATOM 0 H ASP A 58 -10.228 5.282 0.969 1.00 33.53 H new ATOM 0 HA ASP A 58 -11.279 6.492 3.332 1.00 53.33 H new ATOM 0 HB2 ASP A 58 -9.952 3.919 2.547 1.00 61.44 H new ATOM 0 HB3 ASP A 58 -9.924 4.348 4.246 1.00 61.44 H new ATOM 857 N GLN A 59 -8.053 6.600 2.808 1.00 4.21 N ATOM 858 CA GLN A 59 -6.800 7.176 3.283 1.00 53.25 C ATOM 859 C GLN A 59 -6.886 8.698 3.335 1.00 71.11 C ATOM 860 O GLN A 59 -6.650 9.309 4.378 1.00 21.54 O ATOM 861 CB GLN A 59 -5.644 6.750 2.376 1.00 64.14 C ATOM 862 CG GLN A 59 -4.732 5.707 3.004 1.00 13.32 C ATOM 863 CD GLN A 59 -5.286 4.302 2.889 1.00 33.43 C ATOM 864 OE1 GLN A 59 -4.833 3.567 1.880 1.00 71.23 O flip ATOM 865 NE2 GLN A 59 -6.114 3.879 3.698 1.00 34.51 N flip ATOM 0 H GLN A 59 -8.002 6.186 1.877 1.00 4.21 H new ATOM 0 HA GLN A 59 -6.618 6.806 4.292 1.00 53.25 H new ATOM 0 HB2 GLN A 59 -6.050 6.353 1.446 1.00 64.14 H new ATOM 0 HB3 GLN A 59 -5.053 7.629 2.117 1.00 64.14 H new ATOM 0 HG2 GLN A 59 -3.754 5.748 2.524 1.00 13.32 H new ATOM 0 HG3 GLN A 59 -4.581 5.949 4.056 1.00 13.32 H new ATOM 0 HE21 GLN A 59 -6.435 4.477 4.459 1.00 34.51 H new ATOM 0 HE22 GLN A 59 -6.478 2.931 3.607 1.00 34.51 H new ATOM 874 N LEU A 60 -7.223 9.306 2.202 1.00 25.12 N ATOM 875 CA LEU A 60 -7.340 10.758 2.119 1.00 60.42 C ATOM 876 C LEU A 60 -8.346 11.283 3.138 1.00 60.42 C ATOM 877 O LEU A 60 -8.111 12.301 3.789 1.00 71.11 O ATOM 878 CB LEU A 60 -7.762 11.174 0.708 1.00 61.25 C ATOM 879 CG LEU A 60 -6.633 11.316 -0.315 1.00 30.45 C ATOM 880 CD1 LEU A 60 -5.716 12.469 0.058 1.00 63.23 C ATOM 881 CD2 LEU A 60 -5.846 10.017 -0.423 1.00 1.30 C ATOM 0 H LEU A 60 -7.420 8.816 1.329 1.00 25.12 H new ATOM 0 HA LEU A 60 -6.365 11.190 2.344 1.00 60.42 H new ATOM 0 HB2 LEU A 60 -8.476 10.441 0.333 1.00 61.25 H new ATOM 0 HB3 LEU A 60 -8.288 12.126 0.773 1.00 61.25 H new ATOM 0 HG LEU A 60 -7.074 11.532 -1.288 1.00 30.45 H new ATOM 0 HD11 LEU A 60 -4.919 12.554 -0.681 1.00 63.23 H new ATOM 0 HD12 LEU A 60 -6.289 13.396 0.083 1.00 63.23 H new ATOM 0 HD13 LEU A 60 -5.281 12.285 1.040 1.00 63.23 H new ATOM 0 HD21 LEU A 60 -5.047 10.135 -1.155 1.00 1.30 H new ATOM 0 HD22 LEU A 60 -5.416 9.771 0.548 1.00 1.30 H new ATOM 0 HD23 LEU A 60 -6.511 9.214 -0.739 1.00 1.30 H new ATOM 893 N ARG A 61 -9.467 10.581 3.272 1.00 62.55 N ATOM 894 CA ARG A 61 -10.508 10.975 4.213 1.00 43.14 C ATOM 895 C ARG A 61 -9.963 11.025 5.638 1.00 51.04 C ATOM 896 O ARG A 61 -10.150 12.011 6.351 1.00 3.15 O ATOM 897 CB ARG A 61 -11.686 10.003 4.140 1.00 44.40 C ATOM 898 CG ARG A 61 -12.801 10.322 5.124 1.00 74.55 C ATOM 899 CD ARG A 61 -13.922 9.298 5.046 1.00 34.12 C ATOM 900 NE ARG A 61 -14.918 9.496 6.095 1.00 2.53 N ATOM 901 CZ ARG A 61 -14.699 9.225 7.377 1.00 61.52 C ATOM 902 NH1 ARG A 61 -13.525 8.747 7.766 1.00 51.14 N ATOM 903 NH2 ARG A 61 -15.655 9.433 8.273 1.00 25.32 N ATOM 0 H ARG A 61 -9.677 9.736 2.740 1.00 62.55 H new ATOM 0 HA ARG A 61 -10.852 11.972 3.939 1.00 43.14 H new ATOM 0 HB2 ARG A 61 -12.092 10.013 3.128 1.00 44.40 H new ATOM 0 HB3 ARG A 61 -11.324 8.992 4.329 1.00 44.40 H new ATOM 0 HG2 ARG A 61 -12.398 10.346 6.137 1.00 74.55 H new ATOM 0 HG3 ARG A 61 -13.199 11.315 4.916 1.00 74.55 H new ATOM 0 HD2 ARG A 61 -14.405 9.363 4.071 1.00 34.12 H new ATOM 0 HD3 ARG A 61 -13.503 8.295 5.128 1.00 34.12 H new ATOM 0 HE ARG A 61 -15.832 9.862 5.829 1.00 2.53 H new ATOM 0 HH11 ARG A 61 -12.787 8.586 7.080 1.00 51.14 H new ATOM 0 HH12 ARG A 61 -13.360 8.540 8.751 1.00 51.14 H new ATOM 0 HH21 ARG A 61 -16.559 9.801 7.978 1.00 25.32 H new ATOM 0 HH22 ARG A 61 -15.486 9.225 9.257 1.00 25.32 H new ATOM 917 N LEU A 62 -9.288 9.956 6.045 1.00 74.13 N ATOM 918 CA LEU A 62 -8.716 9.877 7.384 1.00 43.10 C ATOM 919 C LEU A 62 -7.769 11.044 7.642 1.00 71.13 C ATOM 920 O LEU A 62 -7.837 11.696 8.685 1.00 32.31 O ATOM 921 CB LEU A 62 -7.972 8.552 7.566 1.00 73.14 C ATOM 922 CG LEU A 62 -8.436 7.674 8.727 1.00 2.44 C ATOM 923 CD1 LEU A 62 -8.416 8.459 10.031 1.00 14.11 C ATOM 924 CD2 LEU A 62 -9.829 7.123 8.456 1.00 42.14 C ATOM 0 H LEU A 62 -9.123 9.132 5.467 1.00 74.13 H new ATOM 0 HA LEU A 62 -9.533 9.930 8.104 1.00 43.10 H new ATOM 0 HB2 LEU A 62 -8.063 7.978 6.644 1.00 73.14 H new ATOM 0 HB3 LEU A 62 -6.913 8.769 7.702 1.00 73.14 H new ATOM 0 HG LEU A 62 -7.747 6.835 8.821 1.00 2.44 H new ATOM 0 HD11 LEU A 62 -8.750 7.818 10.847 1.00 14.11 H new ATOM 0 HD12 LEU A 62 -7.402 8.804 10.232 1.00 14.11 H new ATOM 0 HD13 LEU A 62 -9.082 9.318 9.949 1.00 14.11 H new ATOM 0 HD21 LEU A 62 -10.143 6.500 9.293 1.00 42.14 H new ATOM 0 HD22 LEU A 62 -10.530 7.949 8.335 1.00 42.14 H new ATOM 0 HD23 LEU A 62 -9.813 6.525 7.545 1.00 42.14 H new ATOM 936 N VAL A 63 -6.885 11.306 6.684 1.00 13.02 N ATOM 937 CA VAL A 63 -5.926 12.397 6.804 1.00 5.34 C ATOM 938 C VAL A 63 -6.636 13.737 6.965 1.00 22.31 C ATOM 939 O VAL A 63 -6.331 14.507 7.876 1.00 0.34 O ATOM 940 CB VAL A 63 -4.995 12.465 5.579 1.00 21.31 C ATOM 941 CG1 VAL A 63 -3.889 13.484 5.806 1.00 74.35 C ATOM 942 CG2 VAL A 63 -4.414 11.092 5.276 1.00 41.14 C ATOM 0 H VAL A 63 -6.814 10.776 5.815 1.00 13.02 H new ATOM 0 HA VAL A 63 -5.328 12.196 7.693 1.00 5.34 H new ATOM 0 HB VAL A 63 -5.579 12.785 4.716 1.00 21.31 H new ATOM 0 HG11 VAL A 63 -3.241 13.519 4.930 1.00 74.35 H new ATOM 0 HG12 VAL A 63 -4.329 14.468 5.971 1.00 74.35 H new ATOM 0 HG13 VAL A 63 -3.304 13.197 6.680 1.00 74.35 H new ATOM 0 HG21 VAL A 63 -3.759 11.158 4.408 1.00 41.14 H new ATOM 0 HG22 VAL A 63 -3.843 10.741 6.136 1.00 41.14 H new ATOM 0 HG23 VAL A 63 -5.223 10.392 5.067 1.00 41.14 H new ATOM 952 N ILE A 64 -7.584 14.008 6.074 1.00 75.44 N ATOM 953 CA ILE A 64 -8.338 15.255 6.117 1.00 4.13 C ATOM 954 C ILE A 64 -8.974 15.465 7.487 1.00 65.34 C ATOM 955 O ILE A 64 -9.103 16.597 7.956 1.00 23.45 O ATOM 956 CB ILE A 64 -9.441 15.283 5.042 1.00 52.35 C ATOM 957 CG1 ILE A 64 -8.827 15.146 3.648 1.00 71.31 C ATOM 958 CG2 ILE A 64 -10.249 16.569 5.146 1.00 65.23 C ATOM 959 CD1 ILE A 64 -9.723 14.429 2.661 1.00 40.43 C ATOM 0 H ILE A 64 -7.848 13.381 5.314 1.00 75.44 H new ATOM 0 HA ILE A 64 -7.630 16.060 5.920 1.00 4.13 H new ATOM 0 HB ILE A 64 -10.112 14.440 5.208 1.00 52.35 H new ATOM 0 HG12 ILE A 64 -8.596 16.139 3.262 1.00 71.31 H new ATOM 0 HG13 ILE A 64 -7.883 14.607 3.727 1.00 71.31 H new ATOM 0 HG21 ILE A 64 -11.025 16.574 4.380 1.00 65.23 H new ATOM 0 HG22 ILE A 64 -10.712 16.629 6.131 1.00 65.23 H new ATOM 0 HG23 ILE A 64 -9.590 17.425 5.001 1.00 65.23 H new ATOM 0 HD11 ILE A 64 -9.224 14.368 1.694 1.00 40.43 H new ATOM 0 HD12 ILE A 64 -9.933 13.423 3.025 1.00 40.43 H new ATOM 0 HD13 ILE A 64 -10.658 14.979 2.553 1.00 40.43 H new ATOM 971 N CYS A 65 -9.367 14.368 8.126 1.00 71.21 N ATOM 972 CA CYS A 65 -9.988 14.432 9.443 1.00 22.23 C ATOM 973 C CYS A 65 -8.988 14.903 10.494 1.00 15.14 C ATOM 974 O CYS A 65 -9.222 15.895 11.186 1.00 71.42 O ATOM 975 CB CYS A 65 -10.548 13.063 9.832 1.00 63.10 C ATOM 976 SG CYS A 65 -11.826 13.123 11.111 1.00 61.13 S ATOM 0 H CYS A 65 -9.266 13.424 7.753 1.00 71.21 H new ATOM 0 HA CYS A 65 -10.805 15.152 9.398 1.00 22.23 H new ATOM 0 HB2 CYS A 65 -10.961 12.586 8.943 1.00 63.10 H new ATOM 0 HB3 CYS A 65 -9.729 12.433 10.181 1.00 63.10 H new ATOM 0 HG CYS A 65 -12.238 11.917 11.370 1.00 61.13 H new ATOM 982 N ASP A 66 -7.877 14.186 10.609 1.00 41.14 N ATOM 983 CA ASP A 66 -6.841 14.531 11.576 1.00 75.44 C ATOM 984 C ASP A 66 -6.264 15.913 11.285 1.00 0.13 C ATOM 985 O ASP A 66 -6.227 16.778 12.161 1.00 41.02 O ATOM 986 CB ASP A 66 -5.725 13.485 11.555 1.00 71.25 C ATOM 987 CG ASP A 66 -6.259 12.070 11.444 1.00 31.22 C ATOM 988 OD1 ASP A 66 -5.875 11.364 10.489 1.00 74.31 O ATOM 989 OD2 ASP A 66 -7.061 11.670 12.313 1.00 32.10 O ATOM 0 H ASP A 66 -7.670 13.362 10.045 1.00 41.14 H new ATOM 0 HA ASP A 66 -7.295 14.548 12.567 1.00 75.44 H new ATOM 0 HB2 ASP A 66 -5.059 13.686 10.716 1.00 71.25 H new ATOM 0 HB3 ASP A 66 -5.129 13.575 12.463 1.00 71.25 H new ATOM 994 N LEU A 67 -5.814 16.114 10.052 1.00 33.45 N ATOM 995 CA LEU A 67 -5.239 17.391 9.645 1.00 62.45 C ATOM 996 C LEU A 67 -6.186 18.543 9.966 1.00 21.42 C ATOM 997 O LEU A 67 -5.752 19.620 10.374 1.00 34.34 O ATOM 998 CB LEU A 67 -4.923 17.377 8.149 1.00 15.30 C ATOM 999 CG LEU A 67 -4.055 18.526 7.635 1.00 12.35 C ATOM 1000 CD1 LEU A 67 -2.580 18.204 7.818 1.00 53.23 C ATOM 1001 CD2 LEU A 67 -4.363 18.815 6.172 1.00 5.44 C ATOM 0 H LEU A 67 -5.836 15.408 9.316 1.00 33.45 H new ATOM 0 HA LEU A 67 -4.315 17.539 10.204 1.00 62.45 H new ATOM 0 HB2 LEU A 67 -4.424 16.437 7.912 1.00 15.30 H new ATOM 0 HB3 LEU A 67 -5.864 17.385 7.599 1.00 15.30 H new ATOM 0 HG LEU A 67 -4.286 19.418 8.217 1.00 12.35 H new ATOM 0 HD11 LEU A 67 -1.978 19.033 7.447 1.00 53.23 H new ATOM 0 HD12 LEU A 67 -2.370 18.049 8.876 1.00 53.23 H new ATOM 0 HD13 LEU A 67 -2.333 17.299 7.263 1.00 53.23 H new ATOM 0 HD21 LEU A 67 -3.736 19.636 5.823 1.00 5.44 H new ATOM 0 HD22 LEU A 67 -4.162 17.925 5.575 1.00 5.44 H new ATOM 0 HD23 LEU A 67 -5.412 19.091 6.069 1.00 5.44 H new ATOM 1013 N GLN A 68 -7.481 18.306 9.782 1.00 21.32 N ATOM 1014 CA GLN A 68 -8.489 19.323 10.054 1.00 2.22 C ATOM 1015 C GLN A 68 -8.480 19.717 11.528 1.00 13.34 C ATOM 1016 O GLN A 68 -8.445 20.901 11.863 1.00 73.52 O ATOM 1017 CB GLN A 68 -9.877 18.815 9.658 1.00 63.54 C ATOM 1018 CG GLN A 68 -11.006 19.746 10.070 1.00 62.53 C ATOM 1019 CD GLN A 68 -11.850 19.176 11.194 1.00 52.32 C ATOM 1020 OE1 GLN A 68 -11.391 19.055 12.330 1.00 22.14 O ATOM 1021 NE2 GLN A 68 -13.091 18.823 10.881 1.00 0.43 N ATOM 0 H GLN A 68 -7.856 17.419 9.446 1.00 21.32 H new ATOM 0 HA GLN A 68 -8.250 20.204 9.459 1.00 2.22 H new ATOM 0 HB2 GLN A 68 -9.909 18.675 8.578 1.00 63.54 H new ATOM 0 HB3 GLN A 68 -10.040 17.837 10.111 1.00 63.54 H new ATOM 0 HG2 GLN A 68 -10.587 20.702 10.384 1.00 62.53 H new ATOM 0 HG3 GLN A 68 -11.642 19.944 9.207 1.00 62.53 H new ATOM 0 HE21 GLN A 68 -13.429 18.941 9.926 1.00 0.43 H new ATOM 0 HE22 GLN A 68 -13.706 18.434 11.595 1.00 0.43 H new ATOM 1030 N GLU A 69 -8.514 18.717 12.403 1.00 33.14 N ATOM 1031 CA GLU A 69 -8.512 18.961 13.841 1.00 11.33 C ATOM 1032 C GLU A 69 -7.332 19.842 14.241 1.00 22.32 C ATOM 1033 O GLU A 69 -7.476 20.765 15.041 1.00 45.41 O ATOM 1034 CB GLU A 69 -8.458 17.637 14.605 1.00 60.31 C ATOM 1035 CG GLU A 69 -9.816 17.157 15.088 1.00 21.35 C ATOM 1036 CD GLU A 69 -9.788 15.722 15.576 1.00 21.00 C ATOM 1037 OE1 GLU A 69 -10.045 14.813 14.759 1.00 22.35 O ATOM 1038 OE2 GLU A 69 -9.509 15.507 16.774 1.00 52.43 O ATOM 0 H GLU A 69 -8.543 17.731 12.142 1.00 33.14 H new ATOM 0 HA GLU A 69 -9.435 19.482 14.097 1.00 11.33 H new ATOM 0 HB2 GLU A 69 -8.020 16.874 13.962 1.00 60.31 H new ATOM 0 HB3 GLU A 69 -7.795 17.749 15.463 1.00 60.31 H new ATOM 0 HG2 GLU A 69 -10.160 17.804 15.895 1.00 21.35 H new ATOM 0 HG3 GLU A 69 -10.538 17.247 14.277 1.00 21.35 H new ATOM 1045 N ARG A 70 -6.164 19.546 13.679 1.00 52.50 N ATOM 1046 CA ARG A 70 -4.958 20.310 13.978 1.00 33.42 C ATOM 1047 C ARG A 70 -5.005 21.683 13.315 1.00 65.03 C ATOM 1048 O ARG A 70 -4.450 22.652 13.834 1.00 54.34 O ATOM 1049 CB ARG A 70 -3.717 19.547 13.508 1.00 10.33 C ATOM 1050 CG ARG A 70 -3.671 18.105 13.988 1.00 53.31 C ATOM 1051 CD ARG A 70 -2.245 17.660 14.274 1.00 32.42 C ATOM 1052 NE ARG A 70 -2.197 16.320 14.853 1.00 73.35 N ATOM 1053 CZ ARG A 70 -2.606 16.036 16.083 1.00 5.13 C ATOM 1054 NH1 ARG A 70 -3.092 16.993 16.861 1.00 23.22 N ATOM 1055 NH2 ARG A 70 -2.530 14.792 16.539 1.00 31.15 N ATOM 0 H ARG A 70 -6.027 18.784 13.015 1.00 52.50 H new ATOM 0 HA ARG A 70 -4.905 20.449 15.058 1.00 33.42 H new ATOM 0 HB2 ARG A 70 -3.684 19.560 12.419 1.00 10.33 H new ATOM 0 HB3 ARG A 70 -2.826 20.067 13.860 1.00 10.33 H new ATOM 0 HG2 ARG A 70 -4.274 18.001 14.890 1.00 53.31 H new ATOM 0 HG3 ARG A 70 -4.112 17.454 13.233 1.00 53.31 H new ATOM 0 HD2 ARG A 70 -1.667 17.677 13.350 1.00 32.42 H new ATOM 0 HD3 ARG A 70 -1.774 18.367 14.957 1.00 32.42 H new ATOM 0 HE ARG A 70 -1.829 15.561 14.280 1.00 73.35 H new ATOM 0 HH11 ARG A 70 -3.152 17.950 16.515 1.00 23.22 H new ATOM 0 HH12 ARG A 70 -3.406 16.772 17.806 1.00 23.22 H new ATOM 0 HH21 ARG A 70 -2.157 14.053 15.944 1.00 31.15 H new ATOM 0 HH22 ARG A 70 -2.845 14.575 17.485 1.00 31.15 H new ATOM 1069 N ARG A 71 -5.671 21.758 12.167 1.00 4.41 N ATOM 1070 CA ARG A 71 -5.789 23.013 11.434 1.00 41.42 C ATOM 1071 C ARG A 71 -6.532 24.059 12.260 1.00 62.12 C ATOM 1072 O ARG A 71 -6.203 25.243 12.219 1.00 14.52 O ATOM 1073 CB ARG A 71 -6.515 22.785 10.107 1.00 14.42 C ATOM 1074 CG ARG A 71 -6.863 24.072 9.375 1.00 24.32 C ATOM 1075 CD ARG A 71 -8.271 24.539 9.706 1.00 23.53 C ATOM 1076 NE ARG A 71 -9.053 24.818 8.505 1.00 73.43 N ATOM 1077 CZ ARG A 71 -10.371 24.979 8.506 1.00 12.44 C ATOM 1078 NH1 ARG A 71 -11.052 24.889 9.641 1.00 34.30 N ATOM 1079 NH2 ARG A 71 -11.011 25.231 7.371 1.00 3.23 N ATOM 0 H ARG A 71 -6.137 20.965 11.725 1.00 4.41 H new ATOM 0 HA ARG A 71 -4.784 23.383 11.233 1.00 41.42 H new ATOM 0 HB2 ARG A 71 -5.890 22.167 9.462 1.00 14.42 H new ATOM 0 HB3 ARG A 71 -7.431 22.225 10.295 1.00 14.42 H new ATOM 0 HG2 ARG A 71 -6.148 24.849 9.644 1.00 24.32 H new ATOM 0 HG3 ARG A 71 -6.774 23.916 8.300 1.00 24.32 H new ATOM 0 HD2 ARG A 71 -8.776 23.776 10.298 1.00 23.53 H new ATOM 0 HD3 ARG A 71 -8.219 25.437 10.321 1.00 23.53 H new ATOM 0 HE ARG A 71 -8.559 24.893 7.616 1.00 73.43 H new ATOM 0 HH11 ARG A 71 -10.563 24.696 10.515 1.00 34.30 H new ATOM 0 HH12 ARG A 71 -12.064 25.013 9.640 1.00 34.30 H new ATOM 0 HH21 ARG A 71 -10.490 25.301 6.497 1.00 3.23 H new ATOM 0 HH22 ARG A 71 -12.023 25.354 7.373 1.00 3.23 H new ATOM 1093 N GLU A 72 -7.535 23.610 13.010 1.00 74.23 N ATOM 1094 CA GLU A 72 -8.325 24.508 13.843 1.00 60.04 C ATOM 1095 C GLU A 72 -7.585 24.841 15.137 1.00 34.10 C ATOM 1096 O GLU A 72 -7.346 26.008 15.446 1.00 12.13 O ATOM 1097 CB GLU A 72 -9.681 23.879 14.166 1.00 2.14 C ATOM 1098 CG GLU A 72 -10.864 24.751 13.780 1.00 30.21 C ATOM 1099 CD GLU A 72 -12.109 24.435 14.585 1.00 32.13 C ATOM 1100 OE1 GLU A 72 -12.089 23.442 15.342 1.00 31.45 O ATOM 1101 OE2 GLU A 72 -13.103 25.180 14.458 1.00 13.24 O ATOM 0 H GLU A 72 -7.818 22.631 13.057 1.00 74.23 H new ATOM 0 HA GLU A 72 -8.485 25.432 13.287 1.00 60.04 H new ATOM 0 HB2 GLU A 72 -9.761 22.923 13.649 1.00 2.14 H new ATOM 0 HB3 GLU A 72 -9.729 23.668 15.234 1.00 2.14 H new ATOM 0 HG2 GLU A 72 -10.600 25.799 13.923 1.00 30.21 H new ATOM 0 HG3 GLU A 72 -11.078 24.618 12.720 1.00 30.21 H new ATOM 1108 N LYS A 73 -7.226 23.806 15.888 1.00 21.31 N ATOM 1109 CA LYS A 73 -6.513 23.986 17.148 1.00 35.43 C ATOM 1110 C LYS A 73 -5.266 24.841 16.950 1.00 31.51 C ATOM 1111 O LYS A 73 -4.826 25.536 17.866 1.00 53.01 O ATOM 1112 CB LYS A 73 -6.125 22.627 17.736 1.00 31.31 C ATOM 1113 CG LYS A 73 -7.246 21.959 18.514 1.00 45.43 C ATOM 1114 CD LYS A 73 -7.094 22.180 20.009 1.00 65.13 C ATOM 1115 CE LYS A 73 -8.005 21.256 20.805 1.00 72.13 C ATOM 1116 NZ LYS A 73 -8.622 21.952 21.967 1.00 41.34 N ATOM 0 H LYS A 73 -7.417 22.834 15.647 1.00 21.31 H new ATOM 0 HA LYS A 73 -7.177 24.500 17.843 1.00 35.43 H new ATOM 0 HB2 LYS A 73 -5.811 21.967 16.927 1.00 31.31 H new ATOM 0 HB3 LYS A 73 -5.265 22.757 18.393 1.00 31.31 H new ATOM 0 HG2 LYS A 73 -8.206 22.354 18.182 1.00 45.43 H new ATOM 0 HG3 LYS A 73 -7.251 20.890 18.302 1.00 45.43 H new ATOM 0 HD2 LYS A 73 -6.057 22.009 20.300 1.00 65.13 H new ATOM 0 HD3 LYS A 73 -7.326 23.217 20.250 1.00 65.13 H new ATOM 0 HE2 LYS A 73 -8.790 20.871 20.154 1.00 72.13 H new ATOM 0 HE3 LYS A 73 -7.433 20.398 21.158 1.00 72.13 H new ATOM 0 HZ1 LYS A 73 -9.235 21.289 22.483 1.00 41.34 H new ATOM 0 HZ2 LYS A 73 -7.874 22.298 22.602 1.00 41.34 H new ATOM 0 HZ3 LYS A 73 -9.189 22.756 21.629 1.00 41.34 H new ATOM 1130 N PHE A 74 -4.701 24.785 15.748 1.00 51.54 N ATOM 1131 CA PHE A 74 -3.504 25.556 15.430 1.00 61.10 C ATOM 1132 C PHE A 74 -3.867 26.862 14.730 1.00 35.35 C ATOM 1133 O PHE A 74 -3.108 27.829 14.762 1.00 24.14 O ATOM 1134 CB PHE A 74 -2.563 24.735 14.546 1.00 23.50 C ATOM 1135 CG PHE A 74 -1.167 25.283 14.484 1.00 51.55 C ATOM 1136 CD1 PHE A 74 -0.205 24.875 15.395 1.00 0.13 C ATOM 1137 CD2 PHE A 74 -0.814 26.210 13.515 1.00 24.32 C ATOM 1138 CE1 PHE A 74 1.081 25.378 15.341 1.00 1.14 C ATOM 1139 CE2 PHE A 74 0.470 26.717 13.456 1.00 63.32 C ATOM 1140 CZ PHE A 74 1.418 26.301 14.371 1.00 53.02 C ATOM 0 H PHE A 74 -5.052 24.214 14.979 1.00 51.54 H new ATOM 0 HA PHE A 74 -2.997 25.795 16.365 1.00 61.10 H new ATOM 0 HB2 PHE A 74 -2.527 23.712 14.920 1.00 23.50 H new ATOM 0 HB3 PHE A 74 -2.972 24.691 13.537 1.00 23.50 H new ATOM 0 HD1 PHE A 74 -0.464 24.155 16.157 1.00 0.13 H new ATOM 0 HD2 PHE A 74 -1.551 26.540 12.798 1.00 24.32 H new ATOM 0 HE1 PHE A 74 1.821 25.050 16.056 1.00 1.14 H new ATOM 0 HE2 PHE A 74 0.732 27.438 12.696 1.00 63.32 H new ATOM 0 HZ PHE A 74 2.422 26.697 14.328 1.00 53.02 H new ATOM 1150 N GLY A 75 -5.036 26.880 14.094 1.00 52.03 N ATOM 1151 CA GLY A 75 -5.480 28.071 13.394 1.00 22.54 C ATOM 1152 C GLY A 75 -5.250 27.983 11.898 1.00 14.55 C ATOM 1153 O GLY A 75 -4.554 27.086 11.422 1.00 13.12 O ATOM 0 H GLY A 75 -5.682 26.092 14.052 1.00 52.03 H new ATOM 0 HA2 GLY A 75 -6.541 28.228 13.587 1.00 22.54 H new ATOM 0 HA3 GLY A 75 -4.953 28.939 13.789 1.00 22.54 H new ATOM 1157 N SER A 76 -5.838 28.915 11.155 1.00 54.34 N ATOM 1158 CA SER A 76 -5.698 28.936 9.704 1.00 13.41 C ATOM 1159 C SER A 76 -4.351 29.526 9.296 1.00 53.42 C ATOM 1160 O SER A 76 -3.954 30.588 9.778 1.00 61.31 O ATOM 1161 CB SER A 76 -6.833 29.745 9.073 1.00 71.52 C ATOM 1162 OG SER A 76 -6.973 31.007 9.702 1.00 5.31 O ATOM 0 H SER A 76 -6.416 29.665 11.534 1.00 54.34 H new ATOM 0 HA SER A 76 -5.749 27.908 9.344 1.00 13.41 H new ATOM 0 HB2 SER A 76 -6.636 29.885 8.010 1.00 71.52 H new ATOM 0 HB3 SER A 76 -7.768 29.190 9.154 1.00 71.52 H new ATOM 0 HG SER A 76 -6.113 31.278 10.087 1.00 5.31 H new ATOM 1168 N SER A 77 -3.652 28.831 8.404 1.00 2.24 N ATOM 1169 CA SER A 77 -2.348 29.282 7.934 1.00 11.24 C ATOM 1170 C SER A 77 -2.120 28.867 6.483 1.00 24.44 C ATOM 1171 O SER A 77 -2.768 27.949 5.979 1.00 74.31 O ATOM 1172 CB SER A 77 -1.239 28.714 8.820 1.00 63.25 C ATOM 1173 OG SER A 77 -0.680 27.544 8.250 1.00 74.22 O ATOM 0 H SER A 77 -3.968 27.953 7.992 1.00 2.24 H new ATOM 0 HA SER A 77 -2.325 30.370 7.990 1.00 11.24 H new ATOM 0 HB2 SER A 77 -0.460 29.463 8.958 1.00 63.25 H new ATOM 0 HB3 SER A 77 -1.639 28.486 9.808 1.00 63.25 H new ATOM 0 HG SER A 77 0.028 27.201 8.835 1.00 74.22 H new ATOM 1179 N LYS A 78 -1.195 29.549 5.818 1.00 43.11 N ATOM 1180 CA LYS A 78 -0.878 29.252 4.426 1.00 23.42 C ATOM 1181 C LYS A 78 -0.392 27.814 4.274 1.00 40.12 C ATOM 1182 O LYS A 78 -0.688 27.152 3.280 1.00 54.13 O ATOM 1183 CB LYS A 78 0.188 30.219 3.907 1.00 73.12 C ATOM 1184 CG LYS A 78 -0.339 31.214 2.886 1.00 30.10 C ATOM 1185 CD LYS A 78 0.785 32.030 2.272 1.00 50.25 C ATOM 1186 CE LYS A 78 0.249 33.085 1.315 1.00 43.12 C ATOM 1187 NZ LYS A 78 0.651 34.459 1.725 1.00 53.33 N ATOM 0 H LYS A 78 -0.651 30.312 6.221 1.00 43.11 H new ATOM 0 HA LYS A 78 -1.788 29.374 3.838 1.00 23.42 H new ATOM 0 HB2 LYS A 78 0.612 30.766 4.749 1.00 73.12 H new ATOM 0 HB3 LYS A 78 0.999 29.646 3.458 1.00 73.12 H new ATOM 0 HG2 LYS A 78 -0.874 30.681 2.100 1.00 30.10 H new ATOM 0 HG3 LYS A 78 -1.056 31.882 3.364 1.00 30.10 H new ATOM 0 HD2 LYS A 78 1.360 32.513 3.063 1.00 50.25 H new ATOM 0 HD3 LYS A 78 1.468 31.368 1.740 1.00 50.25 H new ATOM 0 HE2 LYS A 78 0.617 32.884 0.309 1.00 43.12 H new ATOM 0 HE3 LYS A 78 -0.838 33.021 1.275 1.00 43.12 H new ATOM 0 HZ1 LYS A 78 0.267 35.149 1.049 1.00 53.33 H new ATOM 0 HZ2 LYS A 78 0.279 34.661 2.675 1.00 53.33 H new ATOM 0 HZ3 LYS A 78 1.689 34.528 1.738 1.00 53.33 H new ATOM 1201 N GLU A 79 0.354 27.337 5.266 1.00 13.22 N ATOM 1202 CA GLU A 79 0.879 25.977 5.241 1.00 12.41 C ATOM 1203 C GLU A 79 -0.248 24.956 5.367 1.00 13.42 C ATOM 1204 O GLU A 79 -0.454 24.131 4.477 1.00 33.41 O ATOM 1205 CB GLU A 79 1.892 25.777 6.370 1.00 35.12 C ATOM 1206 CG GLU A 79 2.916 24.692 6.083 1.00 43.14 C ATOM 1207 CD GLU A 79 3.106 23.745 7.252 1.00 3.42 C ATOM 1208 OE1 GLU A 79 3.439 24.226 8.356 1.00 63.22 O ATOM 1209 OE2 GLU A 79 2.922 22.525 7.063 1.00 31.24 O ATOM 0 H GLU A 79 0.608 27.872 6.096 1.00 13.22 H new ATOM 0 HA GLU A 79 1.378 25.825 4.284 1.00 12.41 H new ATOM 0 HB2 GLU A 79 2.412 26.718 6.551 1.00 35.12 H new ATOM 0 HB3 GLU A 79 1.357 25.527 7.287 1.00 35.12 H new ATOM 0 HG2 GLU A 79 2.602 24.124 5.207 1.00 43.14 H new ATOM 0 HG3 GLU A 79 3.871 25.155 5.837 1.00 43.14 H new ATOM 1216 N ILE A 80 -0.973 25.018 6.478 1.00 50.44 N ATOM 1217 CA ILE A 80 -2.079 24.100 6.721 1.00 30.21 C ATOM 1218 C ILE A 80 -3.141 24.219 5.634 1.00 13.44 C ATOM 1219 O ILE A 80 -3.845 23.256 5.329 1.00 21.00 O ATOM 1220 CB ILE A 80 -2.732 24.355 8.092 1.00 54.12 C ATOM 1221 CG1 ILE A 80 -1.699 24.202 9.210 1.00 33.01 C ATOM 1222 CG2 ILE A 80 -3.899 23.404 8.308 1.00 24.40 C ATOM 1223 CD1 ILE A 80 -2.210 24.630 10.568 1.00 33.14 C ATOM 0 H ILE A 80 -0.815 25.695 7.225 1.00 50.44 H new ATOM 0 HA ILE A 80 -1.662 23.093 6.709 1.00 30.21 H new ATOM 0 HB ILE A 80 -3.113 25.376 8.112 1.00 54.12 H new ATOM 0 HG12 ILE A 80 -1.383 23.160 9.262 1.00 33.01 H new ATOM 0 HG13 ILE A 80 -0.816 24.791 8.961 1.00 33.01 H new ATOM 0 HG21 ILE A 80 -4.350 23.597 9.281 1.00 24.40 H new ATOM 0 HG22 ILE A 80 -4.643 23.558 7.526 1.00 24.40 H new ATOM 0 HG23 ILE A 80 -3.541 22.375 8.271 1.00 24.40 H new ATOM 0 HD11 ILE A 80 -1.425 24.494 11.312 1.00 33.14 H new ATOM 0 HD12 ILE A 80 -2.499 25.680 10.533 1.00 33.14 H new ATOM 0 HD13 ILE A 80 -3.075 24.024 10.839 1.00 33.14 H new ATOM 1235 N ASP A 81 -3.252 25.408 5.050 1.00 42.13 N ATOM 1236 CA ASP A 81 -4.226 25.654 3.994 1.00 14.52 C ATOM 1237 C ASP A 81 -3.921 24.805 2.764 1.00 63.14 C ATOM 1238 O ASP A 81 -4.782 24.077 2.270 1.00 43.34 O ATOM 1239 CB ASP A 81 -4.238 27.136 3.617 1.00 54.21 C ATOM 1240 CG ASP A 81 -5.000 27.400 2.332 1.00 5.30 C ATOM 1241 OD1 ASP A 81 -6.150 26.928 2.217 1.00 0.33 O ATOM 1242 OD2 ASP A 81 -4.447 28.080 1.444 1.00 52.53 O ATOM 0 H ASP A 81 -2.679 26.216 5.291 1.00 42.13 H new ATOM 0 HA ASP A 81 -5.210 25.375 4.370 1.00 14.52 H new ATOM 0 HB2 ASP A 81 -4.687 27.710 4.427 1.00 54.21 H new ATOM 0 HB3 ASP A 81 -3.212 27.488 3.507 1.00 54.21 H new ATOM 1247 N MET A 82 -2.689 24.905 2.274 1.00 12.21 N ATOM 1248 CA MET A 82 -2.271 24.146 1.101 1.00 42.20 C ATOM 1249 C MET A 82 -2.269 22.649 1.395 1.00 70.33 C ATOM 1250 O MET A 82 -2.423 21.830 0.490 1.00 23.30 O ATOM 1251 CB MET A 82 -0.878 24.591 0.650 1.00 34.40 C ATOM 1252 CG MET A 82 -0.880 25.897 -0.127 1.00 15.54 C ATOM 1253 SD MET A 82 0.737 26.695 -0.151 1.00 64.31 S ATOM 1254 CE MET A 82 1.048 26.778 -1.913 1.00 3.14 C ATOM 0 H MET A 82 -1.964 25.503 2.670 1.00 12.21 H new ATOM 0 HA MET A 82 -2.984 24.340 0.300 1.00 42.20 H new ATOM 0 HB2 MET A 82 -0.239 24.700 1.526 1.00 34.40 H new ATOM 0 HB3 MET A 82 -0.439 23.809 0.030 1.00 34.40 H new ATOM 0 HG2 MET A 82 -1.201 25.705 -1.151 1.00 15.54 H new ATOM 0 HG3 MET A 82 -1.609 26.576 0.314 1.00 15.54 H new ATOM 0 HE1 MET A 82 2.015 27.249 -2.090 1.00 3.14 H new ATOM 0 HE2 MET A 82 1.053 25.771 -2.329 1.00 3.14 H new ATOM 0 HE3 MET A 82 0.265 27.365 -2.393 1.00 3.14 H new ATOM 1264 N ALA A 83 -2.091 22.300 2.665 1.00 14.14 N ATOM 1265 CA ALA A 83 -2.071 20.902 3.077 1.00 3.10 C ATOM 1266 C ALA A 83 -3.436 20.253 2.884 1.00 32.53 C ATOM 1267 O ALA A 83 -3.577 19.298 2.118 1.00 21.00 O ATOM 1268 CB ALA A 83 -1.630 20.787 4.529 1.00 33.43 C ATOM 0 H ALA A 83 -1.959 22.966 3.426 1.00 14.14 H new ATOM 0 HA ALA A 83 -1.355 20.373 2.448 1.00 3.10 H new ATOM 0 HB1 ALA A 83 -1.619 19.738 4.824 1.00 33.43 H new ATOM 0 HB2 ALA A 83 -0.629 21.205 4.640 1.00 33.43 H new ATOM 0 HB3 ALA A 83 -2.325 21.336 5.165 1.00 33.43 H new ATOM 1274 N ILE A 84 -4.439 20.774 3.581 1.00 4.33 N ATOM 1275 CA ILE A 84 -5.794 20.244 3.485 1.00 14.21 C ATOM 1276 C ILE A 84 -6.276 20.229 2.039 1.00 13.25 C ATOM 1277 O ILE A 84 -6.893 19.264 1.588 1.00 2.03 O ATOM 1278 CB ILE A 84 -6.781 21.065 4.336 1.00 14.44 C ATOM 1279 CG1 ILE A 84 -8.208 20.547 4.143 1.00 25.14 C ATOM 1280 CG2 ILE A 84 -6.695 22.541 3.972 1.00 31.41 C ATOM 1281 CD1 ILE A 84 -8.916 20.230 5.442 1.00 53.43 C ATOM 0 H ILE A 84 -4.339 21.563 4.219 1.00 4.33 H new ATOM 0 HA ILE A 84 -5.762 19.223 3.865 1.00 14.21 H new ATOM 0 HB ILE A 84 -6.512 20.953 5.386 1.00 14.44 H new ATOM 0 HG12 ILE A 84 -8.786 21.292 3.596 1.00 25.14 H new ATOM 0 HG13 ILE A 84 -8.180 19.649 3.525 1.00 25.14 H new ATOM 0 HG21 ILE A 84 -7.398 23.108 4.582 1.00 31.41 H new ATOM 0 HG22 ILE A 84 -5.683 22.902 4.155 1.00 31.41 H new ATOM 0 HG23 ILE A 84 -6.942 22.671 2.918 1.00 31.41 H new ATOM 0 HD11 ILE A 84 -9.922 19.868 5.229 1.00 53.43 H new ATOM 0 HD12 ILE A 84 -8.361 19.462 5.981 1.00 53.43 H new ATOM 0 HD13 ILE A 84 -8.976 21.131 6.053 1.00 53.43 H new ATOM 1293 N VAL A 85 -5.991 21.306 1.314 1.00 54.43 N ATOM 1294 CA VAL A 85 -6.393 21.416 -0.084 1.00 1.42 C ATOM 1295 C VAL A 85 -5.748 20.324 -0.928 1.00 30.32 C ATOM 1296 O VAL A 85 -6.353 19.815 -1.873 1.00 13.50 O ATOM 1297 CB VAL A 85 -6.018 22.791 -0.669 1.00 21.23 C ATOM 1298 CG1 VAL A 85 -6.382 22.861 -2.144 1.00 32.34 C ATOM 1299 CG2 VAL A 85 -6.699 23.906 0.111 1.00 35.33 C ATOM 0 H VAL A 85 -5.483 22.115 1.671 1.00 54.43 H new ATOM 0 HA VAL A 85 -7.477 21.301 -0.112 1.00 1.42 H new ATOM 0 HB VAL A 85 -4.940 22.923 -0.579 1.00 21.23 H new ATOM 0 HG11 VAL A 85 -6.110 23.839 -2.540 1.00 32.34 H new ATOM 0 HG12 VAL A 85 -5.843 22.086 -2.689 1.00 32.34 H new ATOM 0 HG13 VAL A 85 -7.455 22.708 -2.262 1.00 32.34 H new ATOM 0 HG21 VAL A 85 -6.423 24.870 -0.316 1.00 35.33 H new ATOM 0 HG22 VAL A 85 -7.780 23.781 0.055 1.00 35.33 H new ATOM 0 HG23 VAL A 85 -6.382 23.867 1.153 1.00 35.33 H new ATOM 1309 N THR A 86 -4.517 19.965 -0.582 1.00 74.33 N ATOM 1310 CA THR A 86 -3.789 18.932 -1.309 1.00 60.51 C ATOM 1311 C THR A 86 -4.471 17.576 -1.169 1.00 23.10 C ATOM 1312 O THR A 86 -4.715 16.886 -2.160 1.00 1.50 O ATOM 1313 CB THR A 86 -2.335 18.815 -0.814 1.00 22.10 C ATOM 1314 OG1 THR A 86 -1.602 19.995 -1.164 1.00 71.25 O ATOM 1315 CG2 THR A 86 -1.655 17.593 -1.413 1.00 13.15 C ATOM 0 H THR A 86 -4.002 20.374 0.198 1.00 74.33 H new ATOM 0 HA THR A 86 -3.786 19.228 -2.358 1.00 60.51 H new ATOM 0 HB THR A 86 -2.352 18.706 0.270 1.00 22.10 H new ATOM 0 HG1 THR A 86 -1.556 20.074 -2.140 1.00 71.25 H new ATOM 0 HG21 THR A 86 -0.630 17.532 -1.049 1.00 13.15 H new ATOM 0 HG22 THR A 86 -2.198 16.694 -1.120 1.00 13.15 H new ATOM 0 HG23 THR A 86 -1.649 17.676 -2.500 1.00 13.15 H new ATOM 1323 N LEU A 87 -4.778 17.198 0.068 1.00 13.41 N ATOM 1324 CA LEU A 87 -5.435 15.924 0.338 1.00 61.14 C ATOM 1325 C LEU A 87 -6.802 15.862 -0.336 1.00 3.02 C ATOM 1326 O LEU A 87 -7.269 14.790 -0.720 1.00 24.24 O ATOM 1327 CB LEU A 87 -5.586 15.716 1.845 1.00 43.03 C ATOM 1328 CG LEU A 87 -4.324 15.927 2.683 1.00 34.22 C ATOM 1329 CD1 LEU A 87 -4.681 16.112 4.149 1.00 62.11 C ATOM 1330 CD2 LEU A 87 -3.366 14.757 2.507 1.00 25.13 C ATOM 0 H LEU A 87 -4.582 17.756 0.899 1.00 13.41 H new ATOM 0 HA LEU A 87 -4.813 15.128 -0.072 1.00 61.14 H new ATOM 0 HB2 LEU A 87 -6.357 16.395 2.209 1.00 43.03 H new ATOM 0 HB3 LEU A 87 -5.946 14.702 2.017 1.00 43.03 H new ATOM 0 HG LEU A 87 -3.827 16.833 2.336 1.00 34.22 H new ATOM 0 HD11 LEU A 87 -3.770 16.261 4.729 1.00 62.11 H new ATOM 0 HD12 LEU A 87 -5.328 16.983 4.259 1.00 62.11 H new ATOM 0 HD13 LEU A 87 -5.201 15.225 4.511 1.00 62.11 H new ATOM 0 HD21 LEU A 87 -2.474 14.924 3.110 1.00 25.13 H new ATOM 0 HD22 LEU A 87 -3.854 13.836 2.827 1.00 25.13 H new ATOM 0 HD23 LEU A 87 -3.084 14.672 1.458 1.00 25.13 H new ATOM 1342 N LYS A 88 -7.438 17.020 -0.478 1.00 34.42 N ATOM 1343 CA LYS A 88 -8.751 17.099 -1.109 1.00 52.01 C ATOM 1344 C LYS A 88 -8.630 17.036 -2.628 1.00 63.33 C ATOM 1345 O LYS A 88 -9.110 16.095 -3.260 1.00 71.41 O ATOM 1346 CB LYS A 88 -9.460 18.392 -0.697 1.00 23.21 C ATOM 1347 CG LYS A 88 -9.592 18.560 0.807 1.00 32.41 C ATOM 1348 CD LYS A 88 -10.960 18.115 1.300 1.00 73.30 C ATOM 1349 CE LYS A 88 -11.390 18.897 2.532 1.00 72.44 C ATOM 1350 NZ LYS A 88 -12.853 19.174 2.529 1.00 44.21 N ATOM 0 H LYS A 88 -7.066 17.917 -0.165 1.00 34.42 H new ATOM 0 HA LYS A 88 -9.340 16.245 -0.773 1.00 52.01 H new ATOM 0 HB2 LYS A 88 -8.912 19.242 -1.103 1.00 23.21 H new ATOM 0 HB3 LYS A 88 -10.454 18.410 -1.145 1.00 23.21 H new ATOM 0 HG2 LYS A 88 -8.817 17.980 1.308 1.00 32.41 H new ATOM 0 HG3 LYS A 88 -9.430 19.605 1.073 1.00 32.41 H new ATOM 0 HD2 LYS A 88 -11.695 18.250 0.507 1.00 73.30 H new ATOM 0 HD3 LYS A 88 -10.935 17.051 1.534 1.00 73.30 H new ATOM 0 HE2 LYS A 88 -11.128 18.335 3.429 1.00 72.44 H new ATOM 0 HE3 LYS A 88 -10.842 19.838 2.574 1.00 72.44 H new ATOM 0 HZ1 LYS A 88 -13.071 19.898 3.243 1.00 44.21 H new ATOM 0 HZ2 LYS A 88 -13.139 19.517 1.590 1.00 44.21 H new ATOM 0 HZ3 LYS A 88 -13.372 18.301 2.752 1.00 44.21 H new ATOM 1364 N VAL A 89 -7.983 18.042 -3.208 1.00 12.34 N ATOM 1365 CA VAL A 89 -7.796 18.099 -4.652 1.00 55.13 C ATOM 1366 C VAL A 89 -7.220 16.791 -5.185 1.00 42.11 C ATOM 1367 O VAL A 89 -7.528 16.373 -6.301 1.00 55.44 O ATOM 1368 CB VAL A 89 -6.864 19.258 -5.053 1.00 3.10 C ATOM 1369 CG1 VAL A 89 -7.423 20.586 -4.566 1.00 5.34 C ATOM 1370 CG2 VAL A 89 -5.463 19.027 -4.507 1.00 14.52 C ATOM 0 H VAL A 89 -7.580 18.829 -2.699 1.00 12.34 H new ATOM 0 HA VAL A 89 -8.780 18.265 -5.091 1.00 55.13 H new ATOM 0 HB VAL A 89 -6.804 19.294 -6.141 1.00 3.10 H new ATOM 0 HG11 VAL A 89 -6.751 21.393 -4.859 1.00 5.34 H new ATOM 0 HG12 VAL A 89 -8.405 20.752 -5.010 1.00 5.34 H new ATOM 0 HG13 VAL A 89 -7.515 20.566 -3.480 1.00 5.34 H new ATOM 0 HG21 VAL A 89 -4.817 19.855 -4.800 1.00 14.52 H new ATOM 0 HG22 VAL A 89 -5.502 18.964 -3.420 1.00 14.52 H new ATOM 0 HG23 VAL A 89 -5.064 18.096 -4.910 1.00 14.52 H new ATOM 1380 N PHE A 90 -6.383 16.149 -4.377 1.00 72.40 N ATOM 1381 CA PHE A 90 -5.762 14.888 -4.766 1.00 61.21 C ATOM 1382 C PHE A 90 -6.777 13.748 -4.728 1.00 41.13 C ATOM 1383 O PHE A 90 -6.935 13.012 -5.701 1.00 2.10 O ATOM 1384 CB PHE A 90 -4.584 14.568 -3.843 1.00 14.05 C ATOM 1385 CG PHE A 90 -3.924 13.255 -4.147 1.00 73.11 C ATOM 1386 CD1 PHE A 90 -3.228 13.072 -5.331 1.00 75.45 C ATOM 1387 CD2 PHE A 90 -3.998 12.201 -3.249 1.00 13.43 C ATOM 1388 CE1 PHE A 90 -2.618 11.864 -5.615 1.00 63.13 C ATOM 1389 CE2 PHE A 90 -3.390 10.992 -3.527 1.00 1.03 C ATOM 1390 CZ PHE A 90 -2.700 10.823 -4.711 1.00 32.14 C ATOM 0 H PHE A 90 -6.119 16.481 -3.449 1.00 72.40 H new ATOM 0 HA PHE A 90 -5.396 14.992 -5.787 1.00 61.21 H new ATOM 0 HB2 PHE A 90 -3.844 15.364 -3.922 1.00 14.05 H new ATOM 0 HB3 PHE A 90 -4.934 14.559 -2.811 1.00 14.05 H new ATOM 0 HD1 PHE A 90 -3.161 13.883 -6.041 1.00 75.45 H new ATOM 0 HD2 PHE A 90 -4.537 12.327 -2.322 1.00 13.43 H new ATOM 0 HE1 PHE A 90 -2.079 11.735 -6.542 1.00 63.13 H new ATOM 0 HE2 PHE A 90 -3.454 10.179 -2.819 1.00 1.03 H new ATOM 0 HZ PHE A 90 -2.225 9.878 -4.930 1.00 32.14 H new ATOM 1400 N ALA A 91 -7.459 13.610 -3.596 1.00 33.53 N ATOM 1401 CA ALA A 91 -8.459 12.562 -3.431 1.00 73.22 C ATOM 1402 C ALA A 91 -9.441 12.550 -4.598 1.00 51.22 C ATOM 1403 O ALA A 91 -9.880 11.490 -5.042 1.00 24.34 O ATOM 1404 CB ALA A 91 -9.202 12.744 -2.116 1.00 45.13 C ATOM 0 H ALA A 91 -7.338 14.210 -2.780 1.00 33.53 H new ATOM 0 HA ALA A 91 -7.943 11.602 -3.415 1.00 73.22 H new ATOM 0 HB1 ALA A 91 -9.946 11.955 -2.006 1.00 45.13 H new ATOM 0 HB2 ALA A 91 -8.494 12.694 -1.288 1.00 45.13 H new ATOM 0 HB3 ALA A 91 -9.699 13.714 -2.110 1.00 45.13 H new ATOM 1410 N VAL A 92 -9.782 13.736 -5.090 1.00 1.51 N ATOM 1411 CA VAL A 92 -10.712 13.863 -6.206 1.00 64.33 C ATOM 1412 C VAL A 92 -9.994 13.699 -7.541 1.00 70.23 C ATOM 1413 O VAL A 92 -10.554 13.162 -8.497 1.00 4.52 O ATOM 1414 CB VAL A 92 -11.430 15.225 -6.186 1.00 31.05 C ATOM 1415 CG1 VAL A 92 -10.426 16.361 -6.314 1.00 22.12 C ATOM 1416 CG2 VAL A 92 -12.470 15.294 -7.296 1.00 43.45 C ATOM 0 H VAL A 92 -9.428 14.624 -4.733 1.00 1.51 H new ATOM 0 HA VAL A 92 -11.451 13.069 -6.094 1.00 64.33 H new ATOM 0 HB VAL A 92 -11.943 15.332 -5.230 1.00 31.05 H new ATOM 0 HG11 VAL A 92 -10.952 17.315 -6.298 1.00 22.12 H new ATOM 0 HG12 VAL A 92 -9.723 16.320 -5.482 1.00 22.12 H new ATOM 0 HG13 VAL A 92 -9.883 16.262 -7.254 1.00 22.12 H new ATOM 0 HG21 VAL A 92 -12.968 16.263 -7.268 1.00 43.45 H new ATOM 0 HG22 VAL A 92 -11.981 15.165 -8.261 1.00 43.45 H new ATOM 0 HG23 VAL A 92 -13.206 14.503 -7.154 1.00 43.45 H new ATOM 1426 N ALA A 93 -8.750 14.164 -7.599 1.00 32.33 N ATOM 1427 CA ALA A 93 -7.954 14.066 -8.816 1.00 61.02 C ATOM 1428 C ALA A 93 -7.392 12.659 -8.992 1.00 53.54 C ATOM 1429 O ALA A 93 -6.714 12.370 -9.978 1.00 1.40 O ATOM 1430 CB ALA A 93 -6.827 15.088 -8.793 1.00 12.32 C ATOM 0 H ALA A 93 -8.272 14.612 -6.817 1.00 32.33 H new ATOM 0 HA ALA A 93 -8.604 14.278 -9.665 1.00 61.02 H new ATOM 0 HB1 ALA A 93 -6.241 15.004 -9.708 1.00 12.32 H new ATOM 0 HB2 ALA A 93 -7.247 16.091 -8.722 1.00 12.32 H new ATOM 0 HB3 ALA A 93 -6.185 14.902 -7.932 1.00 12.32 H new ATOM 1436 N GLY A 94 -7.676 11.787 -8.029 1.00 15.32 N ATOM 1437 CA GLY A 94 -7.189 10.422 -8.097 1.00 15.20 C ATOM 1438 C GLY A 94 -8.310 9.403 -8.031 1.00 45.41 C ATOM 1439 O GLY A 94 -8.561 8.682 -8.996 1.00 35.44 O ATOM 0 H GLY A 94 -8.235 12.002 -7.203 1.00 15.32 H new ATOM 0 HA2 GLY A 94 -6.631 10.284 -9.023 1.00 15.20 H new ATOM 0 HA3 GLY A 94 -6.493 10.246 -7.276 1.00 15.20 H new ATOM 1443 N LEU A 95 -8.984 9.343 -6.888 1.00 64.51 N ATOM 1444 CA LEU A 95 -10.084 8.403 -6.697 1.00 64.53 C ATOM 1445 C LEU A 95 -11.269 8.764 -7.587 1.00 73.41 C ATOM 1446 O LEU A 95 -12.092 7.910 -7.921 1.00 45.42 O ATOM 1447 CB LEU A 95 -10.518 8.386 -5.231 1.00 3.15 C ATOM 1448 CG LEU A 95 -9.495 7.844 -4.233 1.00 71.51 C ATOM 1449 CD1 LEU A 95 -8.851 6.573 -4.767 1.00 43.33 C ATOM 1450 CD2 LEU A 95 -8.437 8.894 -3.930 1.00 41.45 C ATOM 0 H LEU A 95 -8.789 9.934 -6.080 1.00 64.51 H new ATOM 0 HA LEU A 95 -9.733 7.409 -6.976 1.00 64.53 H new ATOM 0 HB2 LEU A 95 -10.777 9.403 -4.938 1.00 3.15 H new ATOM 0 HB3 LEU A 95 -11.427 7.789 -5.149 1.00 3.15 H new ATOM 0 HG LEU A 95 -10.013 7.602 -3.305 1.00 71.51 H new ATOM 0 HD11 LEU A 95 -8.125 6.201 -4.044 1.00 43.33 H new ATOM 0 HD12 LEU A 95 -9.619 5.817 -4.932 1.00 43.33 H new ATOM 0 HD13 LEU A 95 -8.346 6.789 -5.709 1.00 43.33 H new ATOM 0 HD21 LEU A 95 -7.717 8.490 -3.218 1.00 41.45 H new ATOM 0 HD22 LEU A 95 -7.922 9.168 -4.851 1.00 41.45 H new ATOM 0 HD23 LEU A 95 -8.913 9.777 -3.504 1.00 41.45 H new ATOM 1462 N LEU A 96 -11.349 10.033 -7.971 1.00 5.44 N ATOM 1463 CA LEU A 96 -12.432 10.508 -8.824 1.00 41.10 C ATOM 1464 C LEU A 96 -11.931 10.779 -10.239 1.00 0.21 C ATOM 1465 O LEU A 96 -12.693 11.204 -11.107 1.00 31.23 O ATOM 1466 CB LEU A 96 -13.051 11.777 -8.238 1.00 4.41 C ATOM 1467 CG LEU A 96 -14.568 11.755 -8.037 1.00 61.04 C ATOM 1468 CD1 LEU A 96 -15.268 11.327 -9.317 1.00 32.00 C ATOM 1469 CD2 LEU A 96 -14.939 10.829 -6.888 1.00 54.10 C ATOM 0 H LEU A 96 -10.676 10.752 -7.705 1.00 5.44 H new ATOM 0 HA LEU A 96 -13.193 9.729 -8.870 1.00 41.10 H new ATOM 0 HB2 LEU A 96 -12.580 11.975 -7.275 1.00 4.41 H new ATOM 0 HB3 LEU A 96 -12.804 12.613 -8.892 1.00 4.41 H new ATOM 0 HG LEU A 96 -14.898 12.763 -7.786 1.00 61.04 H new ATOM 0 HD11 LEU A 96 -16.346 11.317 -9.156 1.00 32.00 H new ATOM 0 HD12 LEU A 96 -15.027 12.029 -10.116 1.00 32.00 H new ATOM 0 HD13 LEU A 96 -14.934 10.328 -9.598 1.00 32.00 H new ATOM 0 HD21 LEU A 96 -16.021 10.825 -6.759 1.00 54.10 H new ATOM 0 HD22 LEU A 96 -14.596 9.818 -7.110 1.00 54.10 H new ATOM 0 HD23 LEU A 96 -14.465 11.179 -5.971 1.00 54.10 H new ATOM 1481 N ASN A 97 -10.646 10.529 -10.464 1.00 73.30 N ATOM 1482 CA ASN A 97 -10.043 10.744 -11.775 1.00 52.10 C ATOM 1483 C ASN A 97 -10.297 12.167 -12.262 1.00 74.02 C ATOM 1484 O ASN A 97 -10.732 12.379 -13.394 1.00 64.31 O ATOM 1485 CB ASN A 97 -10.599 9.740 -12.786 1.00 30.41 C ATOM 1486 CG ASN A 97 -10.324 8.304 -12.386 1.00 24.43 C ATOM 1487 OD1 ASN A 97 -10.842 7.818 -11.379 1.00 73.35 O ATOM 1488 ND2 ASN A 97 -9.506 7.616 -13.174 1.00 2.15 N ATOM 0 H ASN A 97 -10.001 10.177 -9.756 1.00 73.30 H new ATOM 0 HA ASN A 97 -8.967 10.597 -11.682 1.00 52.10 H new ATOM 0 HB2 ASN A 97 -11.674 9.887 -12.886 1.00 30.41 H new ATOM 0 HB3 ASN A 97 -10.159 9.932 -13.764 1.00 30.41 H new ATOM 0 HD21 ASN A 97 -9.284 6.645 -12.955 1.00 2.15 H new ATOM 0 HD22 ASN A 97 -9.100 8.059 -13.998 1.00 2.15 H new ATOM 1495 N MET A 98 -10.019 13.140 -11.401 1.00 11.15 N ATOM 1496 CA MET A 98 -10.216 14.544 -11.744 1.00 13.12 C ATOM 1497 C MET A 98 -11.698 14.858 -11.923 1.00 35.51 C ATOM 1498 O MET A 98 -12.368 14.276 -12.778 1.00 23.31 O ATOM 1499 CB MET A 98 -9.452 14.890 -13.023 1.00 61.33 C ATOM 1500 CG MET A 98 -8.522 16.083 -12.872 1.00 71.22 C ATOM 1501 SD MET A 98 -9.408 17.617 -12.537 1.00 30.25 S ATOM 1502 CE MET A 98 -10.408 17.759 -14.016 1.00 4.23 C ATOM 0 H MET A 98 -9.657 12.982 -10.461 1.00 11.15 H new ATOM 0 HA MET A 98 -9.831 15.150 -10.924 1.00 13.12 H new ATOM 0 HB2 MET A 98 -8.870 14.023 -13.334 1.00 61.33 H new ATOM 0 HB3 MET A 98 -10.167 15.096 -13.819 1.00 61.33 H new ATOM 0 HG2 MET A 98 -7.819 15.890 -12.062 1.00 71.22 H new ATOM 0 HG3 MET A 98 -7.935 16.199 -13.783 1.00 71.22 H new ATOM 0 HE1 MET A 98 -10.705 18.798 -14.156 1.00 4.23 H new ATOM 0 HE2 MET A 98 -9.831 17.427 -14.879 1.00 4.23 H new ATOM 0 HE3 MET A 98 -11.298 17.138 -13.914 1.00 4.23 H new ATOM 1512 N THR A 99 -12.205 15.781 -11.113 1.00 15.53 N ATOM 1513 CA THR A 99 -13.608 16.171 -11.181 1.00 52.12 C ATOM 1514 C THR A 99 -13.839 17.516 -10.502 1.00 52.31 C ATOM 1515 O THR A 99 -14.798 17.686 -9.748 1.00 73.14 O ATOM 1516 CB THR A 99 -14.517 15.114 -10.525 1.00 13.20 C ATOM 1517 OG1 THR A 99 -14.068 13.799 -10.870 1.00 34.20 O ATOM 1518 CG2 THR A 99 -15.962 15.294 -10.967 1.00 41.41 C ATOM 0 H THR A 99 -11.665 16.273 -10.401 1.00 15.53 H new ATOM 0 HA THR A 99 -13.862 16.253 -12.238 1.00 52.12 H new ATOM 0 HB THR A 99 -14.465 15.243 -9.444 1.00 13.20 H new ATOM 0 HG1 THR A 99 -13.706 13.805 -11.781 1.00 34.20 H new ATOM 0 HG21 THR A 99 -16.585 14.537 -10.491 1.00 41.41 H new ATOM 0 HG22 THR A 99 -16.310 16.285 -10.677 1.00 41.41 H new ATOM 0 HG23 THR A 99 -16.027 15.189 -12.050 1.00 41.41 H new ATOM 1526 N VAL A 100 -12.954 18.470 -10.773 1.00 31.11 N ATOM 1527 CA VAL A 100 -13.063 19.802 -10.189 1.00 60.13 C ATOM 1528 C VAL A 100 -12.490 20.861 -11.125 1.00 24.42 C ATOM 1529 O VAL A 100 -12.128 20.567 -12.264 1.00 1.14 O ATOM 1530 CB VAL A 100 -12.335 19.881 -8.834 1.00 52.31 C ATOM 1531 CG1 VAL A 100 -12.868 18.825 -7.879 1.00 65.55 C ATOM 1532 CG2 VAL A 100 -10.834 19.730 -9.027 1.00 53.35 C ATOM 0 H VAL A 100 -12.154 18.345 -11.393 1.00 31.11 H new ATOM 0 HA VAL A 100 -14.125 19.995 -10.034 1.00 60.13 H new ATOM 0 HB VAL A 100 -12.525 20.861 -8.395 1.00 52.31 H new ATOM 0 HG11 VAL A 100 -12.342 18.896 -6.927 1.00 65.55 H new ATOM 0 HG12 VAL A 100 -13.934 18.986 -7.717 1.00 65.55 H new ATOM 0 HG13 VAL A 100 -12.711 17.835 -8.307 1.00 65.55 H new ATOM 0 HG21 VAL A 100 -10.335 19.788 -8.060 1.00 53.35 H new ATOM 0 HG22 VAL A 100 -10.622 18.765 -9.487 1.00 53.35 H new ATOM 0 HG23 VAL A 100 -10.468 20.528 -9.673 1.00 53.35 H new ATOM 1542 N SER A 101 -12.410 22.094 -10.635 1.00 63.40 N ATOM 1543 CA SER A 101 -11.884 23.198 -11.429 1.00 44.54 C ATOM 1544 C SER A 101 -10.760 23.915 -10.685 1.00 62.42 C ATOM 1545 O SER A 101 -9.674 24.123 -11.227 1.00 4.11 O ATOM 1546 CB SER A 101 -13.000 24.188 -11.767 1.00 42.35 C ATOM 1547 OG SER A 101 -13.288 24.178 -13.154 1.00 23.55 O ATOM 0 H SER A 101 -12.702 22.353 -9.693 1.00 63.40 H new ATOM 0 HA SER A 101 -11.480 22.788 -12.354 1.00 44.54 H new ATOM 0 HB2 SER A 101 -13.898 23.934 -11.204 1.00 42.35 H new ATOM 0 HB3 SER A 101 -12.705 25.192 -11.461 1.00 42.35 H new ATOM 0 HG SER A 101 -14.006 24.818 -13.344 1.00 23.55 H new ATOM 1553 N THR A 102 -11.030 24.291 -9.438 1.00 61.40 N ATOM 1554 CA THR A 102 -10.045 24.985 -8.619 1.00 72.44 C ATOM 1555 C THR A 102 -9.809 24.252 -7.303 1.00 72.30 C ATOM 1556 O THR A 102 -10.639 23.453 -6.870 1.00 55.41 O ATOM 1557 CB THR A 102 -10.482 26.431 -8.318 1.00 21.24 C ATOM 1558 OG1 THR A 102 -11.531 26.431 -7.342 1.00 55.30 O ATOM 1559 CG2 THR A 102 -10.959 27.127 -9.583 1.00 70.10 C ATOM 0 H THR A 102 -11.923 24.126 -8.974 1.00 61.40 H new ATOM 0 HA THR A 102 -9.117 25.006 -9.191 1.00 72.44 H new ATOM 0 HB THR A 102 -9.622 26.974 -7.927 1.00 21.24 H new ATOM 0 HG1 THR A 102 -11.803 27.354 -7.154 1.00 55.30 H new ATOM 0 HG21 THR A 102 -11.262 28.147 -9.345 1.00 70.10 H new ATOM 0 HG22 THR A 102 -10.150 27.150 -10.313 1.00 70.10 H new ATOM 0 HG23 THR A 102 -11.807 26.584 -9.999 1.00 70.10 H new ATOM 1567 N ALA A 103 -8.674 24.530 -6.672 1.00 43.20 N ATOM 1568 CA ALA A 103 -8.331 23.899 -5.403 1.00 11.14 C ATOM 1569 C ALA A 103 -9.451 24.075 -4.382 1.00 53.11 C ATOM 1570 O ALA A 103 -9.779 23.148 -3.642 1.00 13.22 O ATOM 1571 CB ALA A 103 -7.028 24.471 -4.863 1.00 73.31 C ATOM 0 H ALA A 103 -7.976 25.188 -7.018 1.00 43.20 H new ATOM 0 HA ALA A 103 -8.200 22.832 -5.581 1.00 11.14 H new ATOM 0 HB1 ALA A 103 -6.785 23.990 -3.915 1.00 73.31 H new ATOM 0 HB2 ALA A 103 -6.226 24.289 -5.579 1.00 73.31 H new ATOM 0 HB3 ALA A 103 -7.138 25.544 -4.708 1.00 73.31 H new ATOM 1577 N ALA A 104 -10.033 25.269 -4.349 1.00 40.55 N ATOM 1578 CA ALA A 104 -11.116 25.566 -3.419 1.00 61.34 C ATOM 1579 C ALA A 104 -12.346 24.718 -3.723 1.00 71.11 C ATOM 1580 O ALA A 104 -12.992 24.197 -2.814 1.00 64.43 O ATOM 1581 CB ALA A 104 -11.466 27.046 -3.471 1.00 72.53 C ATOM 0 H ALA A 104 -9.773 26.047 -4.956 1.00 40.55 H new ATOM 0 HA ALA A 104 -10.776 25.320 -2.413 1.00 61.34 H new ATOM 0 HB1 ALA A 104 -12.276 27.253 -2.772 1.00 72.53 H new ATOM 0 HB2 ALA A 104 -10.591 27.637 -3.198 1.00 72.53 H new ATOM 0 HB3 ALA A 104 -11.782 27.310 -4.480 1.00 72.53 H new ATOM 1587 N ALA A 105 -12.665 24.584 -5.006 1.00 32.13 N ATOM 1588 CA ALA A 105 -13.818 23.799 -5.429 1.00 23.02 C ATOM 1589 C ALA A 105 -13.668 22.339 -5.016 1.00 62.54 C ATOM 1590 O ALA A 105 -14.655 21.654 -4.748 1.00 53.00 O ATOM 1591 CB ALA A 105 -14.007 23.907 -6.934 1.00 51.22 C ATOM 0 H ALA A 105 -12.141 25.009 -5.771 1.00 32.13 H new ATOM 0 HA ALA A 105 -14.702 24.201 -4.934 1.00 23.02 H new ATOM 0 HB1 ALA A 105 -14.872 23.316 -7.235 1.00 51.22 H new ATOM 0 HB2 ALA A 105 -14.168 24.950 -7.207 1.00 51.22 H new ATOM 0 HB3 ALA A 105 -13.117 23.533 -7.440 1.00 51.22 H new ATOM 1597 N ALA A 106 -12.426 21.867 -4.969 1.00 20.31 N ATOM 1598 CA ALA A 106 -12.147 20.488 -4.588 1.00 62.31 C ATOM 1599 C ALA A 106 -12.418 20.262 -3.105 1.00 4.33 C ATOM 1600 O ALA A 106 -13.151 19.346 -2.732 1.00 64.00 O ATOM 1601 CB ALA A 106 -10.707 20.129 -4.924 1.00 23.44 C ATOM 0 H ALA A 106 -11.598 22.419 -5.190 1.00 20.31 H new ATOM 0 HA ALA A 106 -12.814 19.839 -5.155 1.00 62.31 H new ATOM 0 HB1 ALA A 106 -10.512 19.096 -4.634 1.00 23.44 H new ATOM 0 HB2 ALA A 106 -10.545 20.242 -5.996 1.00 23.44 H new ATOM 0 HB3 ALA A 106 -10.031 20.791 -4.383 1.00 23.44 H new ATOM 1607 N GLU A 107 -11.823 21.102 -2.265 1.00 44.11 N ATOM 1608 CA GLU A 107 -11.999 20.992 -0.822 1.00 21.05 C ATOM 1609 C GLU A 107 -13.436 21.320 -0.423 1.00 61.11 C ATOM 1610 O GLU A 107 -14.014 20.670 0.447 1.00 32.01 O ATOM 1611 CB GLU A 107 -11.030 21.925 -0.093 1.00 73.11 C ATOM 1612 CG GLU A 107 -11.199 23.388 -0.466 1.00 14.21 C ATOM 1613 CD GLU A 107 -10.174 24.283 0.203 1.00 32.11 C ATOM 1614 OE1 GLU A 107 -9.549 23.836 1.188 1.00 31.13 O ATOM 1615 OE2 GLU A 107 -9.996 25.431 -0.256 1.00 34.41 O ATOM 0 H GLU A 107 -11.215 21.866 -2.559 1.00 44.11 H new ATOM 0 HA GLU A 107 -11.785 19.963 -0.534 1.00 21.05 H new ATOM 0 HB2 GLU A 107 -11.171 21.814 0.982 1.00 73.11 H new ATOM 0 HB3 GLU A 107 -10.008 21.618 -0.314 1.00 73.11 H new ATOM 0 HG2 GLU A 107 -11.118 23.495 -1.548 1.00 14.21 H new ATOM 0 HG3 GLU A 107 -12.200 23.717 -0.187 1.00 14.21 H new ATOM 1622 N ASN A 108 -14.004 22.335 -1.066 1.00 22.32 N ATOM 1623 CA ASN A 108 -15.372 22.752 -0.779 1.00 23.21 C ATOM 1624 C ASN A 108 -16.365 21.658 -1.160 1.00 21.43 C ATOM 1625 O ASN A 108 -17.258 21.318 -0.384 1.00 1.41 O ATOM 1626 CB ASN A 108 -15.703 24.041 -1.531 1.00 12.35 C ATOM 1627 CG ASN A 108 -14.940 25.237 -0.994 1.00 20.01 C ATOM 1628 OD1 ASN A 108 -14.490 25.236 0.152 1.00 22.13 O ATOM 1629 ND2 ASN A 108 -14.792 26.264 -1.821 1.00 53.11 N ATOM 0 H ASN A 108 -13.539 22.884 -1.789 1.00 22.32 H new ATOM 0 HA ASN A 108 -15.453 22.934 0.293 1.00 23.21 H new ATOM 0 HB2 ASN A 108 -15.472 23.911 -2.588 1.00 12.35 H new ATOM 0 HB3 ASN A 108 -16.773 24.235 -1.460 1.00 12.35 H new ATOM 0 HD21 ASN A 108 -14.288 27.097 -1.515 1.00 53.11 H new ATOM 0 HD22 ASN A 108 -15.182 26.221 -2.763 1.00 53.11 H new ATOM 1636 N MET A 109 -16.202 21.111 -2.360 1.00 23.41 N ATOM 1637 CA MET A 109 -17.083 20.054 -2.843 1.00 32.34 C ATOM 1638 C MET A 109 -16.856 18.759 -2.069 1.00 52.52 C ATOM 1639 O MET A 109 -17.806 18.113 -1.627 1.00 14.23 O ATOM 1640 CB MET A 109 -16.856 19.815 -4.337 1.00 23.31 C ATOM 1641 CG MET A 109 -17.899 18.909 -4.973 1.00 54.53 C ATOM 1642 SD MET A 109 -17.492 18.470 -6.673 1.00 32.44 S ATOM 1643 CE MET A 109 -16.859 16.809 -6.451 1.00 42.15 C ATOM 0 H MET A 109 -15.469 21.382 -3.015 1.00 23.41 H new ATOM 0 HA MET A 109 -18.113 20.374 -2.685 1.00 32.34 H new ATOM 0 HB2 MET A 109 -16.856 20.774 -4.854 1.00 23.31 H new ATOM 0 HB3 MET A 109 -15.869 19.376 -4.480 1.00 23.31 H new ATOM 0 HG2 MET A 109 -17.995 18.000 -4.380 1.00 54.53 H new ATOM 0 HG3 MET A 109 -18.868 19.407 -4.952 1.00 54.53 H new ATOM 0 HE1 MET A 109 -16.564 16.400 -7.417 1.00 42.15 H new ATOM 0 HE2 MET A 109 -15.994 16.835 -5.788 1.00 42.15 H new ATOM 0 HE3 MET A 109 -17.634 16.180 -6.012 1.00 42.15 H new ATOM 1653 N TYR A 110 -15.592 18.385 -1.908 1.00 53.53 N ATOM 1654 CA TYR A 110 -15.240 17.166 -1.190 1.00 41.33 C ATOM 1655 C TYR A 110 -15.908 17.130 0.181 1.00 1.05 C ATOM 1656 O TYR A 110 -16.385 16.086 0.624 1.00 32.44 O ATOM 1657 CB TYR A 110 -13.722 17.063 -1.031 1.00 35.22 C ATOM 1658 CG TYR A 110 -13.277 15.853 -0.241 1.00 23.03 C ATOM 1659 CD1 TYR A 110 -12.890 14.683 -0.884 1.00 3.05 C ATOM 1660 CD2 TYR A 110 -13.244 15.880 1.148 1.00 61.45 C ATOM 1661 CE1 TYR A 110 -12.484 13.574 -0.165 1.00 51.32 C ATOM 1662 CE2 TYR A 110 -12.837 14.777 1.874 1.00 61.12 C ATOM 1663 CZ TYR A 110 -12.459 13.627 1.212 1.00 64.13 C ATOM 1664 OH TYR A 110 -12.054 12.525 1.933 1.00 14.50 O ATOM 0 H TYR A 110 -14.793 18.909 -2.265 1.00 53.53 H new ATOM 0 HA TYR A 110 -15.597 16.316 -1.772 1.00 41.33 H new ATOM 0 HB2 TYR A 110 -13.263 17.030 -2.019 1.00 35.22 H new ATOM 0 HB3 TYR A 110 -13.355 17.963 -0.538 1.00 35.22 H new ATOM 0 HD1 TYR A 110 -12.907 14.639 -1.963 1.00 3.05 H new ATOM 0 HD2 TYR A 110 -13.541 16.778 1.669 1.00 61.45 H new ATOM 0 HE1 TYR A 110 -12.188 12.672 -0.679 1.00 51.32 H new ATOM 0 HE2 TYR A 110 -12.815 14.815 2.953 1.00 61.12 H new ATOM 0 HH TYR A 110 -12.762 12.265 2.559 1.00 14.50 H new ATOM 1674 N SER A 111 -15.940 18.279 0.848 1.00 53.31 N ATOM 1675 CA SER A 111 -16.547 18.380 2.170 1.00 13.14 C ATOM 1676 C SER A 111 -18.053 18.600 2.060 1.00 5.13 C ATOM 1677 O SER A 111 -18.817 18.164 2.921 1.00 71.10 O ATOM 1678 CB SER A 111 -15.910 19.525 2.961 1.00 63.12 C ATOM 1679 OG SER A 111 -16.878 20.208 3.739 1.00 51.13 O ATOM 0 H SER A 111 -15.552 19.154 0.494 1.00 53.31 H new ATOM 0 HA SER A 111 -16.371 17.442 2.696 1.00 13.14 H new ATOM 0 HB2 SER A 111 -15.128 19.131 3.611 1.00 63.12 H new ATOM 0 HB3 SER A 111 -15.432 20.224 2.274 1.00 63.12 H new ATOM 0 HG SER A 111 -16.446 20.934 4.236 1.00 51.13 H new ATOM 1685 N GLN A 112 -18.471 19.277 0.996 1.00 71.13 N ATOM 1686 CA GLN A 112 -19.884 19.555 0.774 1.00 22.10 C ATOM 1687 C GLN A 112 -20.649 18.273 0.460 1.00 43.34 C ATOM 1688 O GLN A 112 -21.844 18.170 0.729 1.00 15.33 O ATOM 1689 CB GLN A 112 -20.055 20.558 -0.368 1.00 13.02 C ATOM 1690 CG GLN A 112 -21.506 20.793 -0.758 1.00 11.52 C ATOM 1691 CD GLN A 112 -21.808 22.255 -1.023 1.00 12.31 C ATOM 1692 OE1 GLN A 112 -21.694 22.730 -2.154 1.00 73.44 O ATOM 1693 NE2 GLN A 112 -22.198 22.978 0.020 1.00 15.54 N ATOM 0 H GLN A 112 -17.851 19.643 0.274 1.00 71.13 H new ATOM 0 HA GLN A 112 -20.292 19.984 1.689 1.00 22.10 H new ATOM 0 HB2 GLN A 112 -19.607 21.508 -0.076 1.00 13.02 H new ATOM 0 HB3 GLN A 112 -19.506 20.201 -1.240 1.00 13.02 H new ATOM 0 HG2 GLN A 112 -21.738 20.210 -1.650 1.00 11.52 H new ATOM 0 HG3 GLN A 112 -22.156 20.430 0.038 1.00 11.52 H new ATOM 0 HE21 GLN A 112 -22.279 22.544 0.940 1.00 15.54 H new ATOM 0 HE22 GLN A 112 -22.417 23.967 -0.098 1.00 15.54 H new ATOM 1702 N MET A 113 -19.949 17.298 -0.111 1.00 50.14 N ATOM 1703 CA MET A 113 -20.562 16.022 -0.461 1.00 52.04 C ATOM 1704 C MET A 113 -20.588 15.084 0.741 1.00 34.14 C ATOM 1705 O MET A 113 -21.161 13.997 0.680 1.00 22.11 O ATOM 1706 CB MET A 113 -19.802 15.367 -1.617 1.00 71.11 C ATOM 1707 CG MET A 113 -20.461 15.575 -2.972 1.00 43.45 C ATOM 1708 SD MET A 113 -20.716 14.030 -3.864 1.00 21.03 S ATOM 1709 CE MET A 113 -19.590 14.243 -5.240 1.00 61.44 C ATOM 0 H MET A 113 -18.958 17.367 -0.341 1.00 50.14 H new ATOM 0 HA MET A 113 -21.589 16.214 -0.773 1.00 52.04 H new ATOM 0 HB2 MET A 113 -18.789 15.768 -1.649 1.00 71.11 H new ATOM 0 HB3 MET A 113 -19.715 14.298 -1.425 1.00 71.11 H new ATOM 0 HG2 MET A 113 -21.421 16.072 -2.832 1.00 43.45 H new ATOM 0 HG3 MET A 113 -19.842 16.240 -3.574 1.00 43.45 H new ATOM 0 HE1 MET A 113 -19.634 13.366 -5.885 1.00 61.44 H new ATOM 0 HE2 MET A 113 -19.875 15.127 -5.810 1.00 61.44 H new ATOM 0 HE3 MET A 113 -18.575 14.366 -4.863 1.00 61.44 H new ATOM 1719 N GLY A 114 -19.963 15.511 1.834 1.00 2.11 N ATOM 1720 CA GLY A 114 -19.928 14.697 3.035 1.00 40.04 C ATOM 1721 C GLY A 114 -18.780 13.706 3.029 1.00 21.10 C ATOM 1722 O GLY A 114 -18.792 12.727 3.777 1.00 35.32 O ATOM 0 H GLY A 114 -19.480 16.406 1.909 1.00 2.11 H new ATOM 0 HA2 GLY A 114 -19.840 15.345 3.907 1.00 40.04 H new ATOM 0 HA3 GLY A 114 -20.870 14.157 3.132 1.00 40.04 H new ATOM 1726 N LEU A 115 -17.788 13.959 2.184 1.00 64.43 N ATOM 1727 CA LEU A 115 -16.627 13.080 2.083 1.00 33.13 C ATOM 1728 C LEU A 115 -15.607 13.398 3.171 1.00 60.14 C ATOM 1729 O LEU A 115 -14.812 12.543 3.559 1.00 71.35 O ATOM 1730 CB LEU A 115 -15.979 13.216 0.704 1.00 53.45 C ATOM 1731 CG LEU A 115 -16.935 13.426 -0.470 1.00 33.40 C ATOM 1732 CD1 LEU A 115 -16.159 13.636 -1.761 1.00 71.05 C ATOM 1733 CD2 LEU A 115 -17.883 12.243 -0.603 1.00 43.00 C ATOM 0 H LEU A 115 -17.763 14.765 1.559 1.00 64.43 H new ATOM 0 HA LEU A 115 -16.966 12.053 2.219 1.00 33.13 H new ATOM 0 HB2 LEU A 115 -15.282 14.054 0.733 1.00 53.45 H new ATOM 0 HB3 LEU A 115 -15.391 12.319 0.511 1.00 53.45 H new ATOM 0 HG LEU A 115 -17.526 14.321 -0.276 1.00 33.40 H new ATOM 0 HD11 LEU A 115 -16.857 13.784 -2.585 1.00 71.05 H new ATOM 0 HD12 LEU A 115 -15.521 14.515 -1.663 1.00 71.05 H new ATOM 0 HD13 LEU A 115 -15.542 12.760 -1.961 1.00 71.05 H new ATOM 0 HD21 LEU A 115 -18.557 12.409 -1.444 1.00 43.00 H new ATOM 0 HD22 LEU A 115 -17.308 11.333 -0.773 1.00 43.00 H new ATOM 0 HD23 LEU A 115 -18.465 12.138 0.313 1.00 43.00 H new