USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 724 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 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 12 ASN : amide:sc= -2.81 X(o=-2.8,f=-2.6!) USER MOD Single : A 1 MET CE :methyl 162:sc= 0 (180deg=-0.507) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.0328 (180deg=-0.278) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.016) USER MOD Single : A 34 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.45) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.1!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00112) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 108:sc= -2.8 USER MOD Single : A 51 HIS : no HD1:sc= -1.59 K(o=-1.5,f=-7!) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.299) USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0377) USER MOD Single : A 55 SER OG : rot -152:sc= 1.26 USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= -0.312 (180deg=-1.35!) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0317) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0566) USER MOD Single : A 72 LYS NZ :NH3+ -109:sc= -0.698 (180deg=-1.75) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00974 USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.00015) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.383 5.838 9.376 1.00 23.32 N ATOM 2 CA MET A 1 27.741 5.889 8.765 1.00 23.89 C ATOM 3 C MET A 1 27.916 7.216 8.023 1.00 24.05 C ATOM 4 O MET A 1 26.971 7.774 7.505 1.00 24.08 O ATOM 5 CB MET A 1 27.902 4.729 7.779 1.00 24.21 C ATOM 6 CG MET A 1 26.752 4.750 6.771 1.00 24.59 C ATOM 7 SD MET A 1 27.267 3.917 5.248 1.00 25.50 S ATOM 8 CE MET A 1 27.543 2.280 5.968 1.00 25.54 C ATOM 0 H1 MET A 1 26.082 4.847 9.470 1.00 23.32 H new ATOM 0 H2 MET A 1 26.408 6.283 10.316 1.00 23.32 H new ATOM 0 H3 MET A 1 25.710 6.348 8.769 1.00 23.32 H new ATOM 0 HA MET A 1 28.495 5.807 9.548 1.00 23.89 H new ATOM 0 HB2 MET A 1 28.856 4.810 7.259 1.00 24.21 H new ATOM 0 HB3 MET A 1 27.911 3.780 8.316 1.00 24.21 H new ATOM 0 HG2 MET A 1 25.877 4.254 7.191 1.00 24.59 H new ATOM 0 HG3 MET A 1 26.462 5.778 6.555 1.00 24.59 H new ATOM 0 HE1 MET A 1 27.558 1.532 5.176 1.00 25.54 H new ATOM 0 HE2 MET A 1 28.498 2.270 6.494 1.00 25.54 H new ATOM 0 HE3 MET A 1 26.740 2.051 6.669 1.00 25.54 H new ATOM 20 N SER A 2 29.125 7.719 7.971 1.00 24.38 N ATOM 21 CA SER A 2 29.385 9.013 7.267 1.00 24.81 C ATOM 22 C SER A 2 28.598 10.144 7.953 1.00 24.43 C ATOM 23 O SER A 2 29.101 10.782 8.858 1.00 24.75 O ATOM 24 CB SER A 2 28.982 8.890 5.792 1.00 25.15 C ATOM 25 OG SER A 2 30.139 8.613 5.012 1.00 26.10 O ATOM 0 H SER A 2 29.948 7.286 8.389 1.00 24.38 H new ATOM 0 HA SER A 2 30.448 9.249 7.318 1.00 24.81 H new ATOM 0 HB2 SER A 2 28.247 8.095 5.669 1.00 25.15 H new ATOM 0 HB3 SER A 2 28.513 9.813 5.453 1.00 25.15 H new ATOM 0 HG SER A 2 29.886 8.532 4.069 1.00 26.10 H new ATOM 31 N LYS A 3 27.376 10.400 7.539 1.00 23.98 N ATOM 32 CA LYS A 3 26.578 11.490 8.178 1.00 23.83 C ATOM 33 C LYS A 3 25.163 11.494 7.593 1.00 23.00 C ATOM 34 O LYS A 3 24.851 12.268 6.708 1.00 23.61 O ATOM 35 CB LYS A 3 27.250 12.843 7.908 1.00 25.11 C ATOM 36 CG LYS A 3 28.030 13.290 9.148 1.00 25.71 C ATOM 37 CD LYS A 3 27.919 14.808 9.305 1.00 26.81 C ATOM 38 CE LYS A 3 28.899 15.285 10.378 1.00 27.66 C ATOM 39 NZ LYS A 3 28.379 14.919 11.725 1.00 27.37 N ATOM 0 H LYS A 3 26.901 9.900 6.787 1.00 23.98 H new ATOM 0 HA LYS A 3 26.526 11.321 9.254 1.00 23.83 H new ATOM 0 HB2 LYS A 3 27.922 12.762 7.054 1.00 25.11 H new ATOM 0 HB3 LYS A 3 26.497 13.589 7.652 1.00 25.11 H new ATOM 0 HG2 LYS A 3 27.638 12.793 10.035 1.00 25.71 H new ATOM 0 HG3 LYS A 3 29.077 12.999 9.056 1.00 25.71 H new ATOM 0 HD2 LYS A 3 28.136 15.299 8.356 1.00 26.81 H new ATOM 0 HD3 LYS A 3 26.901 15.082 9.580 1.00 26.81 H new ATOM 0 HE2 LYS A 3 29.878 14.832 10.219 1.00 27.66 H new ATOM 0 HE3 LYS A 3 29.033 16.365 10.309 1.00 27.66 H new ATOM 0 HZ1 LYS A 3 29.046 15.243 12.454 1.00 27.37 H new ATOM 0 HZ2 LYS A 3 27.455 15.371 11.875 1.00 27.37 H new ATOM 0 HZ3 LYS A 3 28.273 13.886 11.787 1.00 27.37 H new ATOM 53 N ARG A 4 24.306 10.633 8.084 1.00 21.81 N ATOM 54 CA ARG A 4 22.909 10.580 7.565 1.00 21.15 C ATOM 55 C ARG A 4 22.095 11.719 8.184 1.00 20.77 C ATOM 56 O ARG A 4 22.631 12.568 8.872 1.00 21.07 O ATOM 57 CB ARG A 4 22.274 9.237 7.938 1.00 20.40 C ATOM 58 CG ARG A 4 22.390 9.005 9.454 1.00 20.27 C ATOM 59 CD ARG A 4 23.214 7.742 9.733 1.00 20.19 C ATOM 60 NE ARG A 4 22.300 6.604 10.097 1.00 19.78 N ATOM 61 CZ ARG A 4 21.412 6.696 11.064 1.00 19.67 C ATOM 62 NH1 ARG A 4 21.403 7.712 11.893 1.00 19.85 N ATOM 63 NH2 ARG A 4 20.558 5.724 11.238 1.00 19.62 N ATOM 0 H ARG A 4 24.517 9.964 8.824 1.00 21.81 H new ATOM 0 HA ARG A 4 22.919 10.686 6.480 1.00 21.15 H new ATOM 0 HB2 ARG A 4 21.226 9.225 7.639 1.00 20.40 H new ATOM 0 HB3 ARG A 4 22.769 8.429 7.399 1.00 20.40 H new ATOM 0 HG2 ARG A 4 22.861 9.867 9.927 1.00 20.27 H new ATOM 0 HG3 ARG A 4 21.397 8.904 9.891 1.00 20.27 H new ATOM 0 HD2 ARG A 4 23.803 7.480 8.854 1.00 20.19 H new ATOM 0 HD3 ARG A 4 23.918 7.928 10.544 1.00 20.19 H new ATOM 0 HE ARG A 4 22.371 5.730 9.576 1.00 19.78 H new ATOM 0 HH11 ARG A 4 22.095 8.455 11.797 1.00 19.85 H new ATOM 0 HH12 ARG A 4 20.704 7.759 12.634 1.00 19.85 H new ATOM 0 HH21 ARG A 4 20.585 4.907 10.628 1.00 19.62 H new ATOM 0 HH22 ARG A 4 19.864 5.782 11.984 1.00 19.62 H new ATOM 77 N LYS A 5 20.809 11.742 7.945 1.00 20.34 N ATOM 78 CA LYS A 5 19.956 12.825 8.518 1.00 20.22 C ATOM 79 C LYS A 5 18.514 12.328 8.657 1.00 19.21 C ATOM 80 O LYS A 5 17.578 13.103 8.607 1.00 19.80 O ATOM 81 CB LYS A 5 19.987 14.042 7.591 1.00 21.31 C ATOM 82 CG LYS A 5 19.575 15.291 8.373 1.00 22.05 C ATOM 83 CD LYS A 5 20.106 16.538 7.661 1.00 23.32 C ATOM 84 CE LYS A 5 21.546 16.804 8.103 1.00 23.78 C ATOM 85 NZ LYS A 5 21.540 17.660 9.324 1.00 24.46 N ATOM 0 H LYS A 5 20.312 11.056 7.377 1.00 20.34 H new ATOM 0 HA LYS A 5 20.338 13.103 9.500 1.00 20.22 H new ATOM 0 HB2 LYS A 5 20.987 14.172 7.178 1.00 21.31 H new ATOM 0 HB3 LYS A 5 19.312 13.888 6.749 1.00 21.31 H new ATOM 0 HG2 LYS A 5 18.489 15.340 8.454 1.00 22.05 H new ATOM 0 HG3 LYS A 5 19.969 15.244 9.388 1.00 22.05 H new ATOM 0 HD2 LYS A 5 20.066 16.398 6.581 1.00 23.32 H new ATOM 0 HD3 LYS A 5 19.478 17.398 7.894 1.00 23.32 H new ATOM 0 HE2 LYS A 5 22.055 15.862 8.308 1.00 23.78 H new ATOM 0 HE3 LYS A 5 22.098 17.297 7.303 1.00 23.78 H new ATOM 0 HZ1 LYS A 5 22.519 17.842 9.625 1.00 24.46 H new ATOM 0 HZ2 LYS A 5 21.070 18.563 9.113 1.00 24.46 H new ATOM 0 HZ3 LYS A 5 21.027 17.173 10.087 1.00 24.46 H new ATOM 99 N ALA A 6 18.330 11.043 8.832 1.00 17.87 N ATOM 100 CA ALA A 6 16.950 10.495 8.976 1.00 16.99 C ATOM 101 C ALA A 6 16.556 10.487 10.467 1.00 15.89 C ATOM 102 O ALA A 6 17.394 10.225 11.306 1.00 15.37 O ATOM 103 CB ALA A 6 16.910 9.066 8.431 1.00 16.16 C ATOM 0 H ALA A 6 19.078 10.351 8.881 1.00 17.87 H new ATOM 0 HA ALA A 6 16.251 11.117 8.417 1.00 16.99 H new ATOM 0 HB1 ALA A 6 15.902 8.665 8.536 1.00 16.16 H new ATOM 0 HB2 ALA A 6 17.191 9.070 7.378 1.00 16.16 H new ATOM 0 HB3 ALA A 6 17.608 8.444 8.990 1.00 16.16 H new ATOM 109 N PRO A 7 15.296 10.771 10.773 1.00 15.87 N ATOM 110 CA PRO A 7 14.835 10.785 12.174 1.00 15.21 C ATOM 111 C PRO A 7 14.936 9.380 12.779 1.00 13.52 C ATOM 112 O PRO A 7 14.652 8.394 12.125 1.00 12.80 O ATOM 113 CB PRO A 7 13.367 11.238 12.106 1.00 15.83 C ATOM 114 CG PRO A 7 12.996 11.416 10.612 1.00 16.83 C ATOM 115 CD PRO A 7 14.246 11.098 9.779 1.00 16.86 C ATOM 0 HA PRO A 7 15.437 11.444 12.800 1.00 15.21 H new ATOM 0 HB2 PRO A 7 12.717 10.500 12.576 1.00 15.83 H new ATOM 0 HB3 PRO A 7 13.230 12.174 12.648 1.00 15.83 H new ATOM 0 HG2 PRO A 7 12.176 10.751 10.340 1.00 16.83 H new ATOM 0 HG3 PRO A 7 12.658 12.434 10.421 1.00 16.83 H new ATOM 0 HD2 PRO A 7 14.068 10.261 9.103 1.00 16.86 H new ATOM 0 HD3 PRO A 7 14.537 11.949 9.163 1.00 16.86 H new ATOM 123 N GLN A 8 15.334 9.287 14.022 1.00 13.19 N ATOM 124 CA GLN A 8 15.451 7.951 14.679 1.00 11.89 C ATOM 125 C GLN A 8 14.081 7.534 15.218 1.00 11.30 C ATOM 126 O GLN A 8 13.705 7.887 16.320 1.00 11.95 O ATOM 127 CB GLN A 8 16.450 8.033 15.834 1.00 12.32 C ATOM 128 CG GLN A 8 16.922 6.625 16.201 1.00 11.80 C ATOM 129 CD GLN A 8 17.571 6.647 17.586 1.00 12.43 C ATOM 130 OE1 GLN A 8 18.288 7.570 17.919 1.00 13.26 O ATOM 131 NE2 GLN A 8 17.350 5.662 18.413 1.00 12.50 N ATOM 0 H GLN A 8 15.584 10.081 14.611 1.00 13.19 H new ATOM 0 HA GLN A 8 15.799 7.216 13.953 1.00 11.89 H new ATOM 0 HB2 GLN A 8 17.302 8.651 15.549 1.00 12.32 H new ATOM 0 HB3 GLN A 8 15.986 8.509 16.698 1.00 12.32 H new ATOM 0 HG2 GLN A 8 16.079 5.934 16.194 1.00 11.80 H new ATOM 0 HG3 GLN A 8 17.635 6.265 15.460 1.00 11.80 H new ATOM 0 HE21 GLN A 8 16.748 4.887 18.134 1.00 12.50 H new ATOM 0 HE22 GLN A 8 17.779 5.667 19.338 1.00 12.50 H new ATOM 140 N GLU A 9 13.331 6.790 14.443 1.00 10.43 N ATOM 141 CA GLU A 9 11.980 6.351 14.900 1.00 10.12 C ATOM 142 C GLU A 9 11.918 4.822 14.931 1.00 8.64 C ATOM 143 O GLU A 9 12.906 4.146 14.715 1.00 8.30 O ATOM 144 CB GLU A 9 10.920 6.885 13.935 1.00 10.86 C ATOM 145 CG GLU A 9 10.481 8.282 14.381 1.00 12.29 C ATOM 146 CD GLU A 9 9.231 8.171 15.256 1.00 13.13 C ATOM 147 OE1 GLU A 9 9.364 7.748 16.394 1.00 13.21 O ATOM 148 OE2 GLU A 9 8.163 8.508 14.775 1.00 13.97 O ATOM 0 H GLU A 9 13.598 6.468 13.513 1.00 10.43 H new ATOM 0 HA GLU A 9 11.792 6.739 15.901 1.00 10.12 H new ATOM 0 HB2 GLU A 9 11.322 6.924 12.922 1.00 10.86 H new ATOM 0 HB3 GLU A 9 10.062 6.213 13.912 1.00 10.86 H new ATOM 0 HG2 GLU A 9 11.284 8.767 14.936 1.00 12.29 H new ATOM 0 HG3 GLU A 9 10.274 8.905 13.511 1.00 12.29 H new ATOM 155 N THR A 10 10.758 4.276 15.203 1.00 8.19 N ATOM 156 CA THR A 10 10.615 2.791 15.254 1.00 7.16 C ATOM 157 C THR A 10 10.897 2.199 13.871 1.00 5.70 C ATOM 158 O THR A 10 11.293 2.898 12.956 1.00 5.67 O ATOM 159 CB THR A 10 9.190 2.433 15.683 1.00 8.10 C ATOM 160 OG1 THR A 10 8.262 3.179 14.905 1.00 8.55 O ATOM 161 CG2 THR A 10 9.001 2.768 17.163 1.00 9.46 C ATOM 0 H THR A 10 9.902 4.798 15.392 1.00 8.19 H new ATOM 0 HA THR A 10 11.326 2.382 15.972 1.00 7.16 H new ATOM 0 HB THR A 10 9.021 1.367 15.530 1.00 8.10 H new ATOM 0 HG1 THR A 10 7.349 2.950 15.177 1.00 8.55 H new ATOM 0 HG21 THR A 10 7.986 2.513 17.467 1.00 9.46 H new ATOM 0 HG22 THR A 10 9.713 2.197 17.759 1.00 9.46 H new ATOM 0 HG23 THR A 10 9.169 3.834 17.319 1.00 9.46 H new ATOM 169 N LEU A 11 10.697 0.915 13.715 1.00 5.09 N ATOM 170 CA LEU A 11 10.953 0.264 12.396 1.00 4.14 C ATOM 171 C LEU A 11 9.848 0.651 11.409 1.00 3.55 C ATOM 172 O LEU A 11 8.713 0.232 11.539 1.00 4.14 O ATOM 173 CB LEU A 11 10.968 -1.256 12.573 1.00 4.85 C ATOM 174 CG LEU A 11 11.979 -1.872 11.604 1.00 5.51 C ATOM 175 CD1 LEU A 11 12.485 -3.201 12.170 1.00 6.77 C ATOM 176 CD2 LEU A 11 11.303 -2.119 10.254 1.00 6.30 C ATOM 0 H LEU A 11 10.366 0.288 14.448 1.00 5.09 H new ATOM 0 HA LEU A 11 11.916 0.596 12.009 1.00 4.14 H new ATOM 0 HB2 LEU A 11 11.230 -1.511 13.600 1.00 4.85 H new ATOM 0 HB3 LEU A 11 9.975 -1.664 12.387 1.00 4.85 H new ATOM 0 HG LEU A 11 12.819 -1.190 11.473 1.00 5.51 H new ATOM 0 HD11 LEU A 11 13.205 -3.640 11.480 1.00 6.77 H new ATOM 0 HD12 LEU A 11 12.965 -3.027 13.133 1.00 6.77 H new ATOM 0 HD13 LEU A 11 11.646 -3.884 12.301 1.00 6.77 H new ATOM 0 HD21 LEU A 11 12.022 -2.558 9.562 1.00 6.30 H new ATOM 0 HD22 LEU A 11 10.464 -2.802 10.387 1.00 6.30 H new ATOM 0 HD23 LEU A 11 10.941 -1.174 9.850 1.00 6.30 H new ATOM 188 N ASN A 12 10.178 1.446 10.422 1.00 3.03 N ATOM 189 CA ASN A 12 9.158 1.867 9.416 1.00 3.05 C ATOM 190 C ASN A 12 9.473 1.208 8.071 1.00 2.14 C ATOM 191 O ASN A 12 10.518 0.609 7.897 1.00 2.04 O ATOM 192 CB ASN A 12 9.203 3.389 9.255 1.00 4.23 C ATOM 193 CG ASN A 12 8.311 4.047 10.312 1.00 5.41 C ATOM 194 OD1 ASN A 12 7.519 4.913 9.998 1.00 6.77 O ATOM 195 ND2 ASN A 12 8.409 3.675 11.558 1.00 5.60 N ATOM 0 H ASN A 12 11.114 1.822 10.270 1.00 3.03 H new ATOM 0 HA ASN A 12 8.166 1.563 9.751 1.00 3.05 H new ATOM 0 HB2 ASN A 12 10.228 3.745 9.358 1.00 4.23 H new ATOM 0 HB3 ASN A 12 8.867 3.669 8.257 1.00 4.23 H new ATOM 0 HD21 ASN A 12 7.821 4.111 12.268 1.00 5.60 H new ATOM 0 HD22 ASN A 12 9.074 2.948 11.822 1.00 5.60 H new ATOM 202 N GLY A 13 8.582 1.322 7.118 1.00 1.99 N ATOM 203 CA GLY A 13 8.834 0.709 5.777 1.00 1.97 C ATOM 204 C GLY A 13 7.999 -0.564 5.613 1.00 1.51 C ATOM 205 O GLY A 13 7.513 -1.130 6.573 1.00 2.09 O ATOM 0 H GLY A 13 7.692 1.812 7.210 1.00 1.99 H new ATOM 0 HA2 GLY A 13 8.583 1.421 4.991 1.00 1.97 H new ATOM 0 HA3 GLY A 13 9.893 0.475 5.669 1.00 1.97 H new ATOM 209 N GLY A 14 7.828 -1.010 4.392 1.00 1.62 N ATOM 210 CA GLY A 14 7.020 -2.242 4.136 1.00 1.60 C ATOM 211 C GLY A 14 5.735 -1.885 3.371 1.00 1.39 C ATOM 212 O GLY A 14 4.917 -2.739 3.091 1.00 1.53 O ATOM 0 H GLY A 14 8.216 -0.570 3.557 1.00 1.62 H new ATOM 0 HA2 GLY A 14 7.607 -2.958 3.561 1.00 1.60 H new ATOM 0 HA3 GLY A 14 6.768 -2.723 5.081 1.00 1.60 H new ATOM 216 N ILE A 15 5.554 -0.632 3.027 1.00 1.19 N ATOM 217 CA ILE A 15 4.336 -0.213 2.277 1.00 1.09 C ATOM 218 C ILE A 15 4.635 -0.235 0.788 1.00 0.95 C ATOM 219 O ILE A 15 3.920 -0.827 0.010 1.00 1.13 O ATOM 220 CB ILE A 15 3.945 1.204 2.678 1.00 0.98 C ATOM 221 CG1 ILE A 15 3.833 1.289 4.200 1.00 1.12 C ATOM 222 CG2 ILE A 15 2.596 1.552 2.061 1.00 1.09 C ATOM 223 CD1 ILE A 15 5.206 1.562 4.799 1.00 2.00 C ATOM 0 H ILE A 15 6.207 0.123 3.238 1.00 1.19 H new ATOM 0 HA ILE A 15 3.519 -0.897 2.508 1.00 1.09 H new ATOM 0 HB ILE A 15 4.704 1.902 2.324 1.00 0.98 H new ATOM 0 HG12 ILE A 15 3.139 2.081 4.480 1.00 1.12 H new ATOM 0 HG13 ILE A 15 3.430 0.357 4.598 1.00 1.12 H new ATOM 0 HG21 ILE A 15 2.316 2.566 2.347 1.00 1.09 H new ATOM 0 HG22 ILE A 15 2.665 1.488 0.975 1.00 1.09 H new ATOM 0 HG23 ILE A 15 1.841 0.852 2.419 1.00 1.09 H new ATOM 0 HD11 ILE A 15 5.124 1.622 5.884 1.00 2.00 H new ATOM 0 HD12 ILE A 15 5.887 0.754 4.531 1.00 2.00 H new ATOM 0 HD13 ILE A 15 5.591 2.505 4.411 1.00 2.00 H new ATOM 235 N THR A 16 5.686 0.433 0.392 1.00 0.83 N ATOM 236 CA THR A 16 6.044 0.485 -1.048 1.00 0.84 C ATOM 237 C THR A 16 6.699 -0.832 -1.478 1.00 0.81 C ATOM 238 O THR A 16 6.660 -1.199 -2.636 1.00 0.87 O ATOM 239 CB THR A 16 7.019 1.643 -1.290 1.00 0.90 C ATOM 240 OG1 THR A 16 7.417 1.645 -2.654 1.00 0.96 O ATOM 241 CG2 THR A 16 8.255 1.484 -0.397 1.00 1.03 C ATOM 0 H THR A 16 6.313 0.947 1.011 1.00 0.83 H new ATOM 0 HA THR A 16 5.138 0.638 -1.634 1.00 0.84 H new ATOM 0 HB THR A 16 6.525 2.584 -1.049 1.00 0.90 H new ATOM 0 HG1 THR A 16 8.039 2.385 -2.812 1.00 0.96 H new ATOM 0 HG21 THR A 16 8.942 2.311 -0.576 1.00 1.03 H new ATOM 0 HG22 THR A 16 7.950 1.485 0.650 1.00 1.03 H new ATOM 0 HG23 THR A 16 8.753 0.542 -0.629 1.00 1.03 H new ATOM 249 N ASP A 17 7.305 -1.540 -0.557 1.00 0.79 N ATOM 250 CA ASP A 17 7.969 -2.828 -0.914 1.00 0.83 C ATOM 251 C ASP A 17 6.922 -3.939 -1.037 1.00 0.77 C ATOM 252 O ASP A 17 7.013 -4.794 -1.898 1.00 0.97 O ATOM 253 CB ASP A 17 8.978 -3.198 0.176 1.00 0.89 C ATOM 254 CG ASP A 17 9.970 -2.050 0.366 1.00 1.46 C ATOM 255 OD1 ASP A 17 10.451 -1.537 -0.631 1.00 2.25 O ATOM 256 OD2 ASP A 17 10.232 -1.702 1.505 1.00 2.67 O ATOM 0 H ASP A 17 7.368 -1.280 0.427 1.00 0.79 H new ATOM 0 HA ASP A 17 8.483 -2.714 -1.868 1.00 0.83 H new ATOM 0 HB2 ASP A 17 8.459 -3.402 1.112 1.00 0.89 H new ATOM 0 HB3 ASP A 17 9.509 -4.109 -0.100 1.00 0.89 H new ATOM 261 N MET A 18 5.935 -3.938 -0.177 1.00 0.74 N ATOM 262 CA MET A 18 4.884 -4.998 -0.232 1.00 0.76 C ATOM 263 C MET A 18 3.751 -4.581 -1.183 1.00 0.71 C ATOM 264 O MET A 18 2.980 -5.412 -1.631 1.00 0.74 O ATOM 265 CB MET A 18 4.321 -5.220 1.181 1.00 0.84 C ATOM 266 CG MET A 18 4.461 -6.694 1.575 1.00 1.58 C ATOM 267 SD MET A 18 6.175 -7.028 2.051 1.00 2.06 S ATOM 268 CE MET A 18 5.959 -8.776 2.464 1.00 2.21 C ATOM 0 H MET A 18 5.812 -3.247 0.563 1.00 0.74 H new ATOM 0 HA MET A 18 5.326 -5.922 -0.605 1.00 0.76 H new ATOM 0 HB2 MET A 18 4.852 -4.592 1.896 1.00 0.84 H new ATOM 0 HB3 MET A 18 3.272 -4.924 1.214 1.00 0.84 H new ATOM 0 HG2 MET A 18 3.790 -6.926 2.402 1.00 1.58 H new ATOM 0 HG3 MET A 18 4.172 -7.334 0.741 1.00 1.58 H new ATOM 0 HE1 MET A 18 6.912 -9.193 2.790 1.00 2.21 H new ATOM 0 HE2 MET A 18 5.227 -8.873 3.266 1.00 2.21 H new ATOM 0 HE3 MET A 18 5.608 -9.317 1.585 1.00 2.21 H new ATOM 278 N LEU A 19 3.651 -3.313 -1.511 1.00 0.69 N ATOM 279 CA LEU A 19 2.576 -2.866 -2.442 1.00 0.70 C ATOM 280 C LEU A 19 3.085 -3.043 -3.864 1.00 0.66 C ATOM 281 O LEU A 19 2.384 -3.510 -4.742 1.00 0.70 O ATOM 282 CB LEU A 19 2.239 -1.398 -2.193 1.00 0.72 C ATOM 283 CG LEU A 19 1.388 -1.281 -0.927 1.00 0.72 C ATOM 284 CD1 LEU A 19 1.186 0.193 -0.586 1.00 1.67 C ATOM 285 CD2 LEU A 19 0.024 -1.935 -1.162 1.00 1.78 C ATOM 0 H LEU A 19 4.268 -2.574 -1.173 1.00 0.69 H new ATOM 0 HA LEU A 19 1.673 -3.456 -2.283 1.00 0.70 H new ATOM 0 HB2 LEU A 19 3.154 -0.816 -2.084 1.00 0.72 H new ATOM 0 HB3 LEU A 19 1.700 -0.987 -3.047 1.00 0.72 H new ATOM 0 HG LEU A 19 1.896 -1.783 -0.104 1.00 0.72 H new ATOM 0 HD11 LEU A 19 0.580 0.278 0.316 1.00 1.67 H new ATOM 0 HD12 LEU A 19 2.155 0.664 -0.418 1.00 1.67 H new ATOM 0 HD13 LEU A 19 0.679 0.691 -1.412 1.00 1.67 H new ATOM 0 HD21 LEU A 19 -0.580 -1.850 -0.259 1.00 1.78 H new ATOM 0 HD22 LEU A 19 -0.483 -1.433 -1.986 1.00 1.78 H new ATOM 0 HD23 LEU A 19 0.163 -2.988 -1.408 1.00 1.78 H new ATOM 297 N VAL A 20 4.322 -2.687 -4.081 1.00 0.63 N ATOM 298 CA VAL A 20 4.930 -2.841 -5.426 1.00 0.63 C ATOM 299 C VAL A 20 5.168 -4.334 -5.691 1.00 0.64 C ATOM 300 O VAL A 20 5.188 -4.771 -6.824 1.00 0.69 O ATOM 301 CB VAL A 20 6.256 -2.074 -5.460 1.00 0.64 C ATOM 302 CG1 VAL A 20 6.925 -2.243 -6.823 1.00 0.72 C ATOM 303 CG2 VAL A 20 5.985 -0.588 -5.215 1.00 0.64 C ATOM 0 H VAL A 20 4.941 -2.292 -3.373 1.00 0.63 H new ATOM 0 HA VAL A 20 4.269 -2.442 -6.196 1.00 0.63 H new ATOM 0 HB VAL A 20 6.915 -2.466 -4.686 1.00 0.64 H new ATOM 0 HG11 VAL A 20 7.867 -1.694 -6.837 1.00 0.72 H new ATOM 0 HG12 VAL A 20 7.119 -3.300 -7.005 1.00 0.72 H new ATOM 0 HG13 VAL A 20 6.268 -1.856 -7.601 1.00 0.72 H new ATOM 0 HG21 VAL A 20 6.926 -0.038 -5.238 1.00 0.64 H new ATOM 0 HG22 VAL A 20 5.322 -0.206 -5.991 1.00 0.64 H new ATOM 0 HG23 VAL A 20 5.514 -0.460 -4.240 1.00 0.64 H new ATOM 313 N GLU A 21 5.343 -5.116 -4.650 1.00 0.64 N ATOM 314 CA GLU A 21 5.569 -6.578 -4.837 1.00 0.67 C ATOM 315 C GLU A 21 4.281 -7.220 -5.355 1.00 0.65 C ATOM 316 O GLU A 21 4.299 -8.018 -6.281 1.00 0.68 O ATOM 317 CB GLU A 21 5.956 -7.211 -3.499 1.00 0.74 C ATOM 318 CG GLU A 21 6.325 -8.680 -3.715 1.00 1.40 C ATOM 319 CD GLU A 21 6.534 -9.360 -2.360 1.00 1.88 C ATOM 320 OE1 GLU A 21 5.673 -9.214 -1.508 1.00 2.97 O ATOM 321 OE2 GLU A 21 7.551 -10.014 -2.199 1.00 2.59 O ATOM 0 H GLU A 21 5.338 -4.800 -3.680 1.00 0.64 H new ATOM 0 HA GLU A 21 6.373 -6.738 -5.555 1.00 0.67 H new ATOM 0 HB2 GLU A 21 6.798 -6.675 -3.061 1.00 0.74 H new ATOM 0 HB3 GLU A 21 5.127 -7.133 -2.795 1.00 0.74 H new ATOM 0 HG2 GLU A 21 5.535 -9.186 -4.270 1.00 1.40 H new ATOM 0 HG3 GLU A 21 7.233 -8.753 -4.314 1.00 1.40 H new ATOM 328 N LEU A 22 3.153 -6.873 -4.774 1.00 0.69 N ATOM 329 CA LEU A 22 1.867 -7.462 -5.249 1.00 0.76 C ATOM 330 C LEU A 22 1.651 -7.065 -6.708 1.00 0.70 C ATOM 331 O LEU A 22 1.085 -7.808 -7.482 1.00 0.73 O ATOM 332 CB LEU A 22 0.695 -6.962 -4.403 1.00 0.97 C ATOM 333 CG LEU A 22 -0.364 -8.068 -4.306 1.00 1.16 C ATOM 334 CD1 LEU A 22 -1.517 -7.599 -3.426 1.00 1.68 C ATOM 335 CD2 LEU A 22 -0.903 -8.398 -5.702 1.00 1.83 C ATOM 0 H LEU A 22 3.072 -6.214 -4.000 1.00 0.69 H new ATOM 0 HA LEU A 22 1.918 -8.547 -5.156 1.00 0.76 H new ATOM 0 HB2 LEU A 22 1.041 -6.685 -3.407 1.00 0.97 H new ATOM 0 HB3 LEU A 22 0.263 -6.067 -4.851 1.00 0.97 H new ATOM 0 HG LEU A 22 0.093 -8.957 -3.872 1.00 1.16 H new ATOM 0 HD11 LEU A 22 -2.267 -8.387 -3.359 1.00 1.68 H new ATOM 0 HD12 LEU A 22 -1.143 -7.369 -2.428 1.00 1.68 H new ATOM 0 HD13 LEU A 22 -1.966 -6.706 -3.860 1.00 1.68 H new ATOM 0 HD21 LEU A 22 -1.654 -9.184 -5.626 1.00 1.83 H new ATOM 0 HD22 LEU A 22 -1.354 -7.506 -6.138 1.00 1.83 H new ATOM 0 HD23 LEU A 22 -0.085 -8.739 -6.337 1.00 1.83 H new ATOM 347 N ALA A 23 2.125 -5.908 -7.094 1.00 0.72 N ATOM 348 CA ALA A 23 1.980 -5.478 -8.512 1.00 0.78 C ATOM 349 C ALA A 23 2.931 -6.326 -9.363 1.00 0.83 C ATOM 350 O ALA A 23 2.658 -6.630 -10.506 1.00 0.93 O ATOM 351 CB ALA A 23 2.347 -3.997 -8.645 1.00 0.92 C ATOM 0 H ALA A 23 2.606 -5.244 -6.487 1.00 0.72 H new ATOM 0 HA ALA A 23 0.951 -5.612 -8.845 1.00 0.78 H new ATOM 0 HB1 ALA A 23 2.239 -3.687 -9.685 1.00 0.92 H new ATOM 0 HB2 ALA A 23 1.684 -3.400 -8.018 1.00 0.92 H new ATOM 0 HB3 ALA A 23 3.379 -3.848 -8.327 1.00 0.92 H new ATOM 357 N ASN A 24 4.042 -6.726 -8.792 1.00 0.82 N ATOM 358 CA ASN A 24 5.016 -7.574 -9.533 1.00 0.96 C ATOM 359 C ASN A 24 4.499 -9.021 -9.618 1.00 0.93 C ATOM 360 O ASN A 24 5.115 -9.851 -10.256 1.00 1.10 O ATOM 361 CB ASN A 24 6.359 -7.557 -8.799 1.00 1.04 C ATOM 362 CG ASN A 24 7.418 -8.257 -9.653 1.00 1.96 C ATOM 363 OD1 ASN A 24 7.994 -9.244 -9.238 1.00 3.29 O ATOM 364 ND2 ASN A 24 7.701 -7.787 -10.837 1.00 2.77 N ATOM 0 H ASN A 24 4.314 -6.497 -7.836 1.00 0.82 H new ATOM 0 HA ASN A 24 5.139 -7.180 -10.542 1.00 0.96 H new ATOM 0 HB2 ASN A 24 6.661 -6.530 -8.596 1.00 1.04 H new ATOM 0 HB3 ASN A 24 6.265 -8.058 -7.835 1.00 1.04 H new ATOM 0 HD21 ASN A 24 8.405 -8.248 -11.414 1.00 2.77 H new ATOM 0 HD22 ASN A 24 7.218 -6.959 -11.186 1.00 2.77 H new ATOM 371 N PHE A 25 3.375 -9.325 -8.973 1.00 0.80 N ATOM 372 CA PHE A 25 2.779 -10.717 -8.994 1.00 0.89 C ATOM 373 C PHE A 25 2.993 -11.399 -10.358 1.00 1.13 C ATOM 374 O PHE A 25 3.356 -12.557 -10.434 1.00 1.41 O ATOM 375 CB PHE A 25 1.269 -10.606 -8.709 1.00 0.79 C ATOM 376 CG PHE A 25 0.944 -11.131 -7.326 1.00 0.90 C ATOM 377 CD1 PHE A 25 1.727 -10.763 -6.224 1.00 1.87 C ATOM 378 CD2 PHE A 25 -0.154 -11.981 -7.149 1.00 2.04 C ATOM 379 CE1 PHE A 25 1.411 -11.246 -4.949 1.00 2.04 C ATOM 380 CE2 PHE A 25 -0.470 -12.463 -5.874 1.00 2.12 C ATOM 381 CZ PHE A 25 0.313 -12.096 -4.774 1.00 1.35 C ATOM 0 H PHE A 25 2.840 -8.652 -8.425 1.00 0.80 H new ATOM 0 HA PHE A 25 3.274 -11.323 -8.235 1.00 0.89 H new ATOM 0 HB2 PHE A 25 0.954 -9.566 -8.792 1.00 0.79 H new ATOM 0 HB3 PHE A 25 0.711 -11.168 -9.457 1.00 0.79 H new ATOM 0 HD1 PHE A 25 2.574 -10.107 -6.358 1.00 1.87 H new ATOM 0 HD2 PHE A 25 -0.758 -12.265 -7.998 1.00 2.04 H new ATOM 0 HE1 PHE A 25 2.015 -10.963 -4.100 1.00 2.04 H new ATOM 0 HE2 PHE A 25 -1.318 -13.118 -5.739 1.00 2.12 H new ATOM 0 HZ PHE A 25 0.070 -12.469 -3.790 1.00 1.35 H new ATOM 391 N GLU A 26 2.789 -10.673 -11.429 1.00 1.15 N ATOM 392 CA GLU A 26 2.997 -11.244 -12.803 1.00 1.45 C ATOM 393 C GLU A 26 2.285 -12.598 -12.957 1.00 1.56 C ATOM 394 O GLU A 26 2.673 -13.419 -13.768 1.00 1.97 O ATOM 395 CB GLU A 26 4.495 -11.434 -13.045 1.00 1.71 C ATOM 396 CG GLU A 26 5.151 -10.071 -13.279 1.00 2.02 C ATOM 397 CD GLU A 26 5.037 -9.696 -14.758 1.00 2.45 C ATOM 398 OE1 GLU A 26 3.950 -9.327 -15.173 1.00 3.62 O ATOM 399 OE2 GLU A 26 6.038 -9.784 -15.450 1.00 2.86 O ATOM 0 H GLU A 26 2.484 -9.700 -11.414 1.00 1.15 H new ATOM 0 HA GLU A 26 2.577 -10.550 -13.531 1.00 1.45 H new ATOM 0 HB2 GLU A 26 4.953 -11.928 -12.188 1.00 1.71 H new ATOM 0 HB3 GLU A 26 4.656 -12.080 -13.908 1.00 1.71 H new ATOM 0 HG2 GLU A 26 4.668 -9.313 -12.663 1.00 2.02 H new ATOM 0 HG3 GLU A 26 6.199 -10.104 -12.981 1.00 2.02 H new ATOM 406 N LYS A 27 1.250 -12.830 -12.194 1.00 1.40 N ATOM 407 CA LYS A 27 0.506 -14.121 -12.297 1.00 1.62 C ATOM 408 C LYS A 27 -0.963 -13.857 -11.974 1.00 1.48 C ATOM 409 O LYS A 27 -1.816 -13.901 -12.841 1.00 1.56 O ATOM 410 CB LYS A 27 1.087 -15.134 -11.301 1.00 2.00 C ATOM 411 CG LYS A 27 1.140 -16.520 -11.950 1.00 2.55 C ATOM 412 CD LYS A 27 2.210 -17.367 -11.261 1.00 3.07 C ATOM 413 CE LYS A 27 3.544 -17.195 -11.989 1.00 3.22 C ATOM 414 NZ LYS A 27 4.494 -18.253 -11.543 1.00 4.26 N ATOM 0 H LYS A 27 0.886 -12.178 -11.500 1.00 1.40 H new ATOM 0 HA LYS A 27 0.598 -14.529 -13.303 1.00 1.62 H new ATOM 0 HB2 LYS A 27 2.087 -14.826 -10.995 1.00 2.00 H new ATOM 0 HB3 LYS A 27 0.474 -15.166 -10.400 1.00 2.00 H new ATOM 0 HG2 LYS A 27 0.168 -17.008 -11.870 1.00 2.55 H new ATOM 0 HG3 LYS A 27 1.364 -16.427 -13.013 1.00 2.55 H new ATOM 0 HD2 LYS A 27 2.311 -17.066 -10.218 1.00 3.07 H new ATOM 0 HD3 LYS A 27 1.915 -18.416 -11.263 1.00 3.07 H new ATOM 0 HE2 LYS A 27 3.393 -17.258 -13.067 1.00 3.22 H new ATOM 0 HE3 LYS A 27 3.959 -16.208 -11.782 1.00 3.22 H new ATOM 0 HZ1 LYS A 27 5.401 -18.136 -12.038 1.00 4.26 H new ATOM 0 HZ2 LYS A 27 4.646 -18.173 -10.517 1.00 4.26 H new ATOM 0 HZ3 LYS A 27 4.098 -19.190 -11.762 1.00 4.26 H new ATOM 428 N ASN A 28 -1.255 -13.557 -10.737 1.00 1.48 N ATOM 429 CA ASN A 28 -2.659 -13.254 -10.346 1.00 1.65 C ATOM 430 C ASN A 28 -2.944 -11.782 -10.666 1.00 1.46 C ATOM 431 O ASN A 28 -4.063 -11.401 -10.948 1.00 1.89 O ATOM 432 CB ASN A 28 -2.836 -13.502 -8.843 1.00 1.94 C ATOM 433 CG ASN A 28 -4.192 -14.165 -8.587 1.00 2.61 C ATOM 434 OD1 ASN A 28 -5.052 -13.588 -7.952 1.00 3.46 O ATOM 435 ND2 ASN A 28 -4.420 -15.359 -9.060 1.00 2.94 N ATOM 0 H ASN A 28 -0.576 -13.509 -9.977 1.00 1.48 H new ATOM 0 HA ASN A 28 -3.350 -13.895 -10.894 1.00 1.65 H new ATOM 0 HB2 ASN A 28 -2.033 -14.139 -8.472 1.00 1.94 H new ATOM 0 HB3 ASN A 28 -2.772 -12.560 -8.299 1.00 1.94 H new ATOM 0 HD21 ASN A 28 -5.321 -15.809 -8.897 1.00 2.94 H new ATOM 0 HD22 ASN A 28 -3.697 -15.843 -9.593 1.00 2.94 H new ATOM 442 N VAL A 29 -1.926 -10.957 -10.626 1.00 1.16 N ATOM 443 CA VAL A 29 -2.100 -9.511 -10.925 1.00 1.24 C ATOM 444 C VAL A 29 -1.163 -9.164 -12.085 1.00 1.70 C ATOM 445 O VAL A 29 0.039 -9.073 -11.913 1.00 2.98 O ATOM 446 CB VAL A 29 -1.723 -8.655 -9.699 1.00 0.93 C ATOM 447 CG1 VAL A 29 -2.552 -7.364 -9.699 1.00 1.25 C ATOM 448 CG2 VAL A 29 -1.983 -9.417 -8.384 1.00 0.93 C ATOM 0 H VAL A 29 -0.972 -11.233 -10.395 1.00 1.16 H new ATOM 0 HA VAL A 29 -3.140 -9.307 -11.180 1.00 1.24 H new ATOM 0 HB VAL A 29 -0.660 -8.423 -9.763 1.00 0.93 H new ATOM 0 HG11 VAL A 29 -2.285 -6.760 -8.832 1.00 1.25 H new ATOM 0 HG12 VAL A 29 -2.349 -6.801 -10.610 1.00 1.25 H new ATOM 0 HG13 VAL A 29 -3.612 -7.613 -9.655 1.00 1.25 H new ATOM 0 HG21 VAL A 29 -1.707 -8.787 -7.538 1.00 0.93 H new ATOM 0 HG22 VAL A 29 -3.040 -9.675 -8.316 1.00 0.93 H new ATOM 0 HG23 VAL A 29 -1.386 -10.329 -8.368 1.00 0.93 H new ATOM 458 N SER A 30 -1.696 -9.008 -13.265 1.00 1.93 N ATOM 459 CA SER A 30 -0.841 -8.712 -14.450 1.00 2.34 C ATOM 460 C SER A 30 -0.388 -7.241 -14.467 1.00 3.17 C ATOM 461 O SER A 30 0.695 -6.926 -14.011 1.00 4.25 O ATOM 462 CB SER A 30 -1.636 -9.036 -15.708 1.00 3.32 C ATOM 463 OG SER A 30 -0.890 -8.649 -16.854 1.00 3.91 O ATOM 0 H SER A 30 -2.695 -9.073 -13.461 1.00 1.93 H new ATOM 0 HA SER A 30 0.060 -9.324 -14.403 1.00 2.34 H new ATOM 0 HB2 SER A 30 -1.856 -10.103 -15.747 1.00 3.32 H new ATOM 0 HB3 SER A 30 -2.593 -8.514 -15.691 1.00 3.32 H new ATOM 0 HG SER A 30 -1.401 -8.859 -17.663 1.00 3.91 H new ATOM 469 N GLN A 31 -1.182 -6.342 -15.011 1.00 3.79 N ATOM 470 CA GLN A 31 -0.759 -4.910 -15.070 1.00 5.42 C ATOM 471 C GLN A 31 -1.980 -3.988 -15.041 1.00 5.72 C ATOM 472 O GLN A 31 -2.087 -3.118 -14.196 1.00 7.05 O ATOM 473 CB GLN A 31 0.021 -4.671 -16.365 1.00 6.75 C ATOM 474 CG GLN A 31 0.616 -3.260 -16.352 1.00 8.31 C ATOM 475 CD GLN A 31 0.789 -2.766 -17.789 1.00 9.07 C ATOM 476 OE1 GLN A 31 1.883 -2.435 -18.202 1.00 10.15 O ATOM 477 NE2 GLN A 31 -0.250 -2.699 -18.574 1.00 8.95 N ATOM 0 H GLN A 31 -2.098 -6.541 -15.413 1.00 3.79 H new ATOM 0 HA GLN A 31 -0.132 -4.691 -14.206 1.00 5.42 H new ATOM 0 HB2 GLN A 31 0.815 -5.411 -16.465 1.00 6.75 H new ATOM 0 HB3 GLN A 31 -0.637 -4.791 -17.226 1.00 6.75 H new ATOM 0 HG2 GLN A 31 -0.037 -2.584 -15.800 1.00 8.31 H new ATOM 0 HG3 GLN A 31 1.578 -3.264 -15.839 1.00 8.31 H new ATOM 0 HE21 GLN A 31 -1.169 -2.977 -18.229 1.00 8.95 H new ATOM 0 HE22 GLN A 31 -0.144 -2.369 -19.533 1.00 8.95 H new ATOM 486 N ALA A 32 -2.893 -4.163 -15.961 1.00 4.82 N ATOM 487 CA ALA A 32 -4.103 -3.291 -15.996 1.00 5.16 C ATOM 488 C ALA A 32 -5.250 -3.983 -15.262 1.00 3.83 C ATOM 489 O ALA A 32 -6.369 -4.029 -15.738 1.00 4.18 O ATOM 490 CB ALA A 32 -4.500 -3.033 -17.453 1.00 6.41 C ATOM 0 H ALA A 32 -2.852 -4.874 -16.691 1.00 4.82 H new ATOM 0 HA ALA A 32 -3.886 -2.341 -15.507 1.00 5.16 H new ATOM 0 HB1 ALA A 32 -5.384 -2.396 -17.482 1.00 6.41 H new ATOM 0 HB2 ALA A 32 -3.679 -2.538 -17.972 1.00 6.41 H new ATOM 0 HB3 ALA A 32 -4.720 -3.981 -17.944 1.00 6.41 H new ATOM 496 N ILE A 33 -4.977 -4.522 -14.101 1.00 2.76 N ATOM 497 CA ILE A 33 -6.051 -5.217 -13.328 1.00 1.64 C ATOM 498 C ILE A 33 -6.734 -4.210 -12.403 1.00 2.04 C ATOM 499 O ILE A 33 -6.252 -3.109 -12.208 1.00 3.01 O ATOM 500 CB ILE A 33 -5.478 -6.373 -12.485 1.00 1.84 C ATOM 501 CG1 ILE A 33 -4.232 -6.996 -13.144 1.00 2.06 C ATOM 502 CG2 ILE A 33 -6.544 -7.454 -12.333 1.00 2.58 C ATOM 503 CD1 ILE A 33 -4.565 -7.490 -14.558 1.00 1.96 C ATOM 0 H ILE A 33 -4.059 -4.511 -13.656 1.00 2.76 H new ATOM 0 HA ILE A 33 -6.768 -5.633 -14.036 1.00 1.64 H new ATOM 0 HB ILE A 33 -5.187 -5.971 -11.515 1.00 1.84 H new ATOM 0 HG12 ILE A 33 -3.430 -6.259 -13.189 1.00 2.06 H new ATOM 0 HG13 ILE A 33 -3.869 -7.826 -12.538 1.00 2.06 H new ATOM 0 HG21 ILE A 33 -6.146 -8.276 -11.738 1.00 2.58 H new ATOM 0 HG22 ILE A 33 -7.419 -7.035 -11.835 1.00 2.58 H new ATOM 0 HG23 ILE A 33 -6.830 -7.824 -13.318 1.00 2.58 H new ATOM 0 HD11 ILE A 33 -3.675 -7.927 -15.010 1.00 1.96 H new ATOM 0 HD12 ILE A 33 -5.352 -8.243 -14.505 1.00 1.96 H new ATOM 0 HD13 ILE A 33 -4.906 -6.652 -15.166 1.00 1.96 H new ATOM 515 N HIS A 34 -7.846 -4.584 -11.822 1.00 1.68 N ATOM 516 CA HIS A 34 -8.558 -3.649 -10.891 1.00 2.07 C ATOM 517 C HIS A 34 -7.781 -3.626 -9.579 1.00 1.79 C ATOM 518 O HIS A 34 -7.457 -2.581 -9.047 1.00 2.31 O ATOM 519 CB HIS A 34 -10.011 -4.102 -10.600 1.00 2.54 C ATOM 520 CG HIS A 34 -10.566 -4.952 -11.716 1.00 2.72 C ATOM 521 ND1 HIS A 34 -10.623 -6.332 -11.623 1.00 2.88 N ATOM 522 CD2 HIS A 34 -11.087 -4.635 -12.946 1.00 4.15 C ATOM 523 CE1 HIS A 34 -11.160 -6.794 -12.765 1.00 4.04 C ATOM 524 NE2 HIS A 34 -11.462 -5.802 -13.608 1.00 4.91 N ATOM 0 H HIS A 34 -8.292 -5.492 -11.950 1.00 1.68 H new ATOM 0 HA HIS A 34 -8.609 -2.665 -11.357 1.00 2.07 H new ATOM 0 HB2 HIS A 34 -10.036 -4.665 -9.667 1.00 2.54 H new ATOM 0 HB3 HIS A 34 -10.644 -3.226 -10.461 1.00 2.54 H new ATOM 0 HD2 HIS A 34 -11.190 -3.635 -13.340 1.00 4.15 H new ATOM 0 HE1 HIS A 34 -11.327 -7.840 -12.976 1.00 4.04 H new ATOM 0 HE2 HIS A 34 -11.878 -5.882 -14.536 1.00 4.91 H new ATOM 532 N LYS A 35 -7.471 -4.787 -9.068 1.00 1.30 N ATOM 533 CA LYS A 35 -6.701 -4.880 -7.796 1.00 1.29 C ATOM 534 C LYS A 35 -5.224 -4.544 -8.062 1.00 1.11 C ATOM 535 O LYS A 35 -4.468 -4.290 -7.145 1.00 1.20 O ATOM 536 CB LYS A 35 -6.806 -6.306 -7.243 1.00 1.44 C ATOM 537 CG LYS A 35 -8.279 -6.734 -7.158 1.00 1.72 C ATOM 538 CD LYS A 35 -8.801 -6.493 -5.740 1.00 2.02 C ATOM 539 CE LYS A 35 -10.271 -6.071 -5.802 1.00 3.20 C ATOM 540 NZ LYS A 35 -10.587 -5.198 -4.636 1.00 4.37 N ATOM 0 H LYS A 35 -7.722 -5.684 -9.483 1.00 1.30 H new ATOM 0 HA LYS A 35 -7.109 -4.174 -7.072 1.00 1.29 H new ATOM 0 HB2 LYS A 35 -6.256 -6.994 -7.885 1.00 1.44 H new ATOM 0 HB3 LYS A 35 -6.348 -6.356 -6.255 1.00 1.44 H new ATOM 0 HG2 LYS A 35 -8.874 -6.170 -7.876 1.00 1.72 H new ATOM 0 HG3 LYS A 35 -8.378 -7.788 -7.419 1.00 1.72 H new ATOM 0 HD2 LYS A 35 -8.697 -7.399 -5.144 1.00 2.02 H new ATOM 0 HD3 LYS A 35 -8.210 -5.719 -5.250 1.00 2.02 H new ATOM 0 HE2 LYS A 35 -10.469 -5.539 -6.732 1.00 3.20 H new ATOM 0 HE3 LYS A 35 -10.914 -6.951 -5.796 1.00 3.20 H new ATOM 0 HZ1 LYS A 35 -11.586 -4.911 -4.678 1.00 4.37 H new ATOM 0 HZ2 LYS A 35 -10.414 -5.721 -3.754 1.00 4.37 H new ATOM 0 HZ3 LYS A 35 -9.982 -4.352 -4.662 1.00 4.37 H new ATOM 554 N TYR A 36 -4.809 -4.541 -9.310 1.00 0.96 N ATOM 555 CA TYR A 36 -3.390 -4.222 -9.634 1.00 0.87 C ATOM 556 C TYR A 36 -3.131 -2.743 -9.338 1.00 0.84 C ATOM 557 O TYR A 36 -2.193 -2.398 -8.642 1.00 0.89 O ATOM 558 CB TYR A 36 -3.129 -4.525 -11.119 1.00 0.88 C ATOM 559 CG TYR A 36 -1.673 -4.287 -11.445 1.00 0.98 C ATOM 560 CD1 TYR A 36 -1.187 -2.983 -11.572 1.00 1.94 C ATOM 561 CD2 TYR A 36 -0.808 -5.376 -11.617 1.00 2.17 C ATOM 562 CE1 TYR A 36 0.161 -2.762 -11.870 1.00 1.98 C ATOM 563 CE2 TYR A 36 0.541 -5.156 -11.913 1.00 2.40 C ATOM 564 CZ TYR A 36 1.027 -3.849 -12.040 1.00 1.47 C ATOM 565 OH TYR A 36 2.357 -3.632 -12.332 1.00 1.77 O ATOM 0 H TYR A 36 -5.399 -4.747 -10.116 1.00 0.96 H new ATOM 0 HA TYR A 36 -2.719 -4.830 -9.027 1.00 0.87 H new ATOM 0 HB2 TYR A 36 -3.396 -5.558 -11.341 1.00 0.88 H new ATOM 0 HB3 TYR A 36 -3.759 -3.892 -11.744 1.00 0.88 H new ATOM 0 HD1 TYR A 36 -1.854 -2.144 -11.440 1.00 1.94 H new ATOM 0 HD2 TYR A 36 -1.183 -6.384 -11.521 1.00 2.17 H new ATOM 0 HE1 TYR A 36 0.534 -1.753 -11.969 1.00 1.98 H new ATOM 0 HE2 TYR A 36 1.208 -5.995 -12.044 1.00 2.40 H new ATOM 0 HH TYR A 36 2.818 -4.493 -12.417 1.00 1.77 H new ATOM 575 N ASN A 37 -3.958 -1.870 -9.853 1.00 0.85 N ATOM 576 CA ASN A 37 -3.771 -0.411 -9.597 1.00 0.88 C ATOM 577 C ASN A 37 -4.062 -0.090 -8.122 1.00 0.74 C ATOM 578 O ASN A 37 -3.762 0.989 -7.649 1.00 0.76 O ATOM 579 CB ASN A 37 -4.728 0.385 -10.487 1.00 0.99 C ATOM 580 CG ASN A 37 -6.160 -0.106 -10.265 1.00 2.14 C ATOM 581 OD1 ASN A 37 -6.630 -0.155 -9.145 1.00 3.70 O ATOM 582 ND2 ASN A 37 -6.879 -0.472 -11.290 1.00 2.87 N ATOM 0 H ASN A 37 -4.757 -2.106 -10.442 1.00 0.85 H new ATOM 0 HA ASN A 37 -2.740 -0.139 -9.823 1.00 0.88 H new ATOM 0 HB2 ASN A 37 -4.657 1.448 -10.256 1.00 0.99 H new ATOM 0 HB3 ASN A 37 -4.450 0.267 -11.534 1.00 0.99 H new ATOM 0 HD21 ASN A 37 -7.835 -0.799 -11.152 1.00 2.87 H new ATOM 0 HD22 ASN A 37 -6.485 -0.431 -12.230 1.00 2.87 H new ATOM 589 N ALA A 38 -4.648 -1.012 -7.394 1.00 0.69 N ATOM 590 CA ALA A 38 -4.961 -0.758 -5.956 1.00 0.63 C ATOM 591 C ALA A 38 -3.662 -0.607 -5.157 1.00 0.60 C ATOM 592 O ALA A 38 -3.514 0.305 -4.366 1.00 0.55 O ATOM 593 CB ALA A 38 -5.770 -1.940 -5.407 1.00 0.67 C ATOM 0 H ALA A 38 -4.923 -1.932 -7.738 1.00 0.69 H new ATOM 0 HA ALA A 38 -5.539 0.161 -5.865 1.00 0.63 H new ATOM 0 HB1 ALA A 38 -6.004 -1.764 -4.357 1.00 0.67 H new ATOM 0 HB2 ALA A 38 -6.696 -2.041 -5.973 1.00 0.67 H new ATOM 0 HB3 ALA A 38 -5.186 -2.855 -5.500 1.00 0.67 H new ATOM 599 N TYR A 39 -2.729 -1.498 -5.354 1.00 0.71 N ATOM 600 CA TYR A 39 -1.432 -1.419 -4.600 1.00 0.78 C ATOM 601 C TYR A 39 -0.524 -0.407 -5.288 1.00 0.80 C ATOM 602 O TYR A 39 0.259 0.272 -4.653 1.00 0.86 O ATOM 603 CB TYR A 39 -0.719 -2.787 -4.566 1.00 0.90 C ATOM 604 CG TYR A 39 -1.726 -3.909 -4.627 1.00 0.89 C ATOM 605 CD1 TYR A 39 -2.691 -4.033 -3.625 1.00 2.36 C ATOM 606 CD2 TYR A 39 -1.707 -4.804 -5.700 1.00 1.91 C ATOM 607 CE1 TYR A 39 -3.638 -5.056 -3.692 1.00 2.32 C ATOM 608 CE2 TYR A 39 -2.655 -5.826 -5.771 1.00 1.98 C ATOM 609 CZ TYR A 39 -3.623 -5.955 -4.767 1.00 0.94 C ATOM 610 OH TYR A 39 -4.560 -6.966 -4.836 1.00 0.98 O ATOM 0 H TYR A 39 -2.803 -2.281 -6.004 1.00 0.71 H new ATOM 0 HA TYR A 39 -1.646 -1.116 -3.575 1.00 0.78 H new ATOM 0 HB2 TYR A 39 -0.028 -2.865 -5.405 1.00 0.90 H new ATOM 0 HB3 TYR A 39 -0.126 -2.872 -3.656 1.00 0.90 H new ATOM 0 HD1 TYR A 39 -2.704 -3.338 -2.799 1.00 2.36 H new ATOM 0 HD2 TYR A 39 -0.960 -4.705 -6.473 1.00 1.91 H new ATOM 0 HE1 TYR A 39 -4.382 -5.155 -2.916 1.00 2.32 H new ATOM 0 HE2 TYR A 39 -2.642 -6.518 -6.600 1.00 1.98 H new ATOM 0 HH TYR A 39 -4.408 -7.498 -5.645 1.00 0.98 H new ATOM 620 N ARG A 40 -0.632 -0.304 -6.585 1.00 0.88 N ATOM 621 CA ARG A 40 0.208 0.664 -7.341 1.00 0.91 C ATOM 622 C ARG A 40 -0.112 2.087 -6.871 1.00 0.83 C ATOM 623 O ARG A 40 0.732 2.965 -6.894 1.00 0.69 O ATOM 624 CB ARG A 40 -0.106 0.520 -8.831 1.00 0.99 C ATOM 625 CG ARG A 40 1.171 0.729 -9.650 1.00 1.38 C ATOM 626 CD ARG A 40 1.358 2.218 -9.956 1.00 1.27 C ATOM 627 NE ARG A 40 1.645 2.406 -11.421 1.00 1.73 N ATOM 628 CZ ARG A 40 2.608 1.755 -12.040 1.00 2.08 C ATOM 629 NH1 ARG A 40 3.501 1.059 -11.376 1.00 2.55 N ATOM 630 NH2 ARG A 40 2.714 1.855 -13.337 1.00 3.19 N ATOM 0 H ARG A 40 -1.273 -0.855 -7.157 1.00 0.88 H new ATOM 0 HA ARG A 40 1.266 0.465 -7.169 1.00 0.91 H new ATOM 0 HB2 ARG A 40 -0.520 -0.468 -9.031 1.00 0.99 H new ATOM 0 HB3 ARG A 40 -0.862 1.248 -9.125 1.00 0.99 H new ATOM 0 HG2 ARG A 40 2.032 0.351 -9.099 1.00 1.38 H new ATOM 0 HG3 ARG A 40 1.114 0.162 -10.579 1.00 1.38 H new ATOM 0 HD2 ARG A 40 0.461 2.771 -9.678 1.00 1.27 H new ATOM 0 HD3 ARG A 40 2.178 2.621 -9.361 1.00 1.27 H new ATOM 0 HE ARG A 40 1.073 3.061 -11.954 1.00 1.73 H new ATOM 0 HH11 ARG A 40 3.458 1.014 -10.358 1.00 2.55 H new ATOM 0 HH12 ARG A 40 4.238 0.563 -11.878 1.00 2.55 H new ATOM 0 HH21 ARG A 40 2.055 2.432 -13.860 1.00 3.19 H new ATOM 0 HH22 ARG A 40 3.456 1.356 -13.828 1.00 3.19 H new ATOM 644 N LYS A 41 -1.328 2.317 -6.436 1.00 1.01 N ATOM 645 CA LYS A 41 -1.715 3.674 -5.954 1.00 1.00 C ATOM 646 C LYS A 41 -1.162 3.891 -4.544 1.00 0.96 C ATOM 647 O LYS A 41 -0.563 4.911 -4.258 1.00 0.87 O ATOM 648 CB LYS A 41 -3.241 3.791 -5.930 1.00 1.26 C ATOM 649 CG LYS A 41 -3.740 4.233 -7.307 1.00 1.48 C ATOM 650 CD LYS A 41 -5.268 4.181 -7.339 1.00 2.29 C ATOM 651 CE LYS A 41 -5.775 4.888 -8.597 1.00 2.51 C ATOM 652 NZ LYS A 41 -5.829 6.357 -8.352 1.00 2.79 N ATOM 0 H LYS A 41 -2.070 1.618 -6.395 1.00 1.01 H new ATOM 0 HA LYS A 41 -1.305 4.429 -6.624 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -3.686 2.833 -5.660 1.00 1.26 H new ATOM 0 HB3 LYS A 41 -3.549 4.510 -5.171 1.00 1.26 H new ATOM 0 HG2 LYS A 41 -3.396 5.245 -7.522 1.00 1.48 H new ATOM 0 HG3 LYS A 41 -3.328 3.585 -8.080 1.00 1.48 H new ATOM 0 HD2 LYS A 41 -5.608 3.145 -7.329 1.00 2.29 H new ATOM 0 HD3 LYS A 41 -5.678 4.660 -6.450 1.00 2.29 H new ATOM 0 HE2 LYS A 41 -5.117 4.673 -9.439 1.00 2.51 H new ATOM 0 HE3 LYS A 41 -6.764 4.516 -8.863 1.00 2.51 H new ATOM 0 HZ1 LYS A 41 -6.190 6.837 -9.201 1.00 2.79 H new ATOM 0 HZ2 LYS A 41 -6.461 6.552 -7.549 1.00 2.79 H new ATOM 0 HZ3 LYS A 41 -4.874 6.708 -8.135 1.00 2.79 H new ATOM 666 N ALA A 42 -1.348 2.937 -3.664 1.00 1.09 N ATOM 667 CA ALA A 42 -0.821 3.089 -2.272 1.00 1.17 C ATOM 668 C ALA A 42 0.714 3.095 -2.296 1.00 1.07 C ATOM 669 O ALA A 42 1.353 3.473 -1.335 1.00 1.39 O ATOM 670 CB ALA A 42 -1.306 1.929 -1.397 1.00 1.35 C ATOM 0 H ALA A 42 -1.840 2.063 -3.849 1.00 1.09 H new ATOM 0 HA ALA A 42 -1.185 4.030 -1.860 1.00 1.17 H new ATOM 0 HB1 ALA A 42 -0.917 2.049 -0.386 1.00 1.35 H new ATOM 0 HB2 ALA A 42 -2.396 1.925 -1.369 1.00 1.35 H new ATOM 0 HB3 ALA A 42 -0.951 0.986 -1.813 1.00 1.35 H new ATOM 676 N ALA A 43 1.315 2.678 -3.384 1.00 0.83 N ATOM 677 CA ALA A 43 2.800 2.658 -3.463 1.00 0.84 C ATOM 678 C ALA A 43 3.315 4.050 -3.834 1.00 0.80 C ATOM 679 O ALA A 43 4.348 4.485 -3.362 1.00 0.82 O ATOM 680 CB ALA A 43 3.227 1.655 -4.530 1.00 0.83 C ATOM 0 H ALA A 43 0.834 2.350 -4.222 1.00 0.83 H new ATOM 0 HA ALA A 43 3.215 2.369 -2.497 1.00 0.84 H new ATOM 0 HB1 ALA A 43 4.315 1.634 -4.595 1.00 0.83 H new ATOM 0 HB2 ALA A 43 2.860 0.663 -4.265 1.00 0.83 H new ATOM 0 HB3 ALA A 43 2.812 1.950 -5.494 1.00 0.83 H new ATOM 686 N SER A 44 2.604 4.745 -4.684 1.00 0.79 N ATOM 687 CA SER A 44 3.049 6.106 -5.101 1.00 0.79 C ATOM 688 C SER A 44 2.669 7.143 -4.036 1.00 0.57 C ATOM 689 O SER A 44 3.272 8.198 -3.956 1.00 0.56 O ATOM 690 CB SER A 44 2.380 6.472 -6.427 1.00 0.96 C ATOM 691 OG SER A 44 3.001 5.747 -7.480 1.00 2.05 O ATOM 0 H SER A 44 1.732 4.427 -5.108 1.00 0.79 H new ATOM 0 HA SER A 44 4.133 6.103 -5.219 1.00 0.79 H new ATOM 0 HB2 SER A 44 1.316 6.239 -6.388 1.00 0.96 H new ATOM 0 HB3 SER A 44 2.465 7.544 -6.608 1.00 0.96 H new ATOM 0 HG SER A 44 2.574 5.977 -8.332 1.00 2.05 H new ATOM 697 N VAL A 45 1.673 6.864 -3.228 1.00 0.55 N ATOM 698 CA VAL A 45 1.262 7.853 -2.182 1.00 0.41 C ATOM 699 C VAL A 45 2.029 7.610 -0.875 1.00 0.51 C ATOM 700 O VAL A 45 2.534 8.543 -0.279 1.00 0.87 O ATOM 701 CB VAL A 45 -0.257 7.765 -1.934 1.00 0.51 C ATOM 702 CG1 VAL A 45 -0.629 6.390 -1.373 1.00 0.67 C ATOM 703 CG2 VAL A 45 -0.683 8.850 -0.932 1.00 0.50 C ATOM 0 H VAL A 45 1.131 6.000 -3.247 1.00 0.55 H new ATOM 0 HA VAL A 45 1.503 8.854 -2.540 1.00 0.41 H new ATOM 0 HB VAL A 45 -0.772 7.915 -2.883 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -1.705 6.345 -1.204 1.00 0.67 H new ATOM 0 HG12 VAL A 45 -0.341 5.617 -2.085 1.00 0.67 H new ATOM 0 HG13 VAL A 45 -0.106 6.228 -0.430 1.00 0.67 H new ATOM 0 HG21 VAL A 45 -1.757 8.784 -0.760 1.00 0.50 H new ATOM 0 HG22 VAL A 45 -0.155 8.703 0.010 1.00 0.50 H new ATOM 0 HG23 VAL A 45 -0.440 9.833 -1.335 1.00 0.50 H new ATOM 713 N ILE A 46 2.110 6.382 -0.410 1.00 0.58 N ATOM 714 CA ILE A 46 2.833 6.127 0.872 1.00 0.81 C ATOM 715 C ILE A 46 4.338 6.400 0.687 1.00 0.82 C ATOM 716 O ILE A 46 5.004 6.835 1.607 1.00 0.90 O ATOM 717 CB ILE A 46 2.603 4.673 1.354 1.00 1.10 C ATOM 718 CG1 ILE A 46 1.224 4.566 2.032 1.00 1.36 C ATOM 719 CG2 ILE A 46 3.679 4.289 2.384 1.00 2.00 C ATOM 720 CD1 ILE A 46 0.220 3.918 1.081 1.00 1.18 C ATOM 0 H ILE A 46 1.711 5.558 -0.859 1.00 0.58 H new ATOM 0 HA ILE A 46 2.440 6.801 1.633 1.00 0.81 H new ATOM 0 HB ILE A 46 2.654 4.006 0.494 1.00 1.10 H new ATOM 0 HG12 ILE A 46 1.304 3.977 2.945 1.00 1.36 H new ATOM 0 HG13 ILE A 46 0.875 5.557 2.322 1.00 1.36 H new ATOM 0 HG21 ILE A 46 3.513 3.265 2.720 1.00 2.00 H new ATOM 0 HG22 ILE A 46 4.665 4.365 1.926 1.00 2.00 H new ATOM 0 HG23 ILE A 46 3.623 4.964 3.238 1.00 2.00 H new ATOM 0 HD11 ILE A 46 -0.751 3.847 1.570 1.00 1.18 H new ATOM 0 HD12 ILE A 46 0.129 4.524 0.180 1.00 1.18 H new ATOM 0 HD13 ILE A 46 0.565 2.919 0.813 1.00 1.18 H new ATOM 732 N ALA A 47 4.880 6.115 -0.472 1.00 0.83 N ATOM 733 CA ALA A 47 6.351 6.321 -0.701 1.00 0.88 C ATOM 734 C ALA A 47 6.795 7.716 -0.226 1.00 0.96 C ATOM 735 O ALA A 47 7.689 7.835 0.590 1.00 1.03 O ATOM 736 CB ALA A 47 6.650 6.141 -2.183 1.00 1.17 C ATOM 0 H ALA A 47 4.368 5.747 -1.274 1.00 0.83 H new ATOM 0 HA ALA A 47 6.909 5.585 -0.122 1.00 0.88 H new ATOM 0 HB1 ALA A 47 7.715 6.289 -2.360 1.00 1.17 H new ATOM 0 HB2 ALA A 47 6.367 5.135 -2.492 1.00 1.17 H new ATOM 0 HB3 ALA A 47 6.082 6.871 -2.760 1.00 1.17 H new ATOM 742 N LYS A 48 6.159 8.763 -0.691 1.00 1.08 N ATOM 743 CA LYS A 48 6.532 10.132 -0.211 1.00 1.25 C ATOM 744 C LYS A 48 6.090 10.242 1.253 1.00 1.14 C ATOM 745 O LYS A 48 6.750 10.835 2.083 1.00 1.32 O ATOM 746 CB LYS A 48 5.813 11.190 -1.053 1.00 1.46 C ATOM 747 CG LYS A 48 6.733 12.396 -1.254 1.00 2.72 C ATOM 748 CD LYS A 48 7.482 12.251 -2.581 1.00 2.89 C ATOM 749 CE LYS A 48 8.235 13.547 -2.886 1.00 3.81 C ATOM 750 NZ LYS A 48 8.550 13.606 -4.342 1.00 4.17 N ATOM 0 H LYS A 48 5.404 8.731 -1.376 1.00 1.08 H new ATOM 0 HA LYS A 48 7.606 10.293 -0.301 1.00 1.25 H new ATOM 0 HB2 LYS A 48 5.530 10.771 -2.018 1.00 1.46 H new ATOM 0 HB3 LYS A 48 4.893 11.500 -0.558 1.00 1.46 H new ATOM 0 HG2 LYS A 48 6.149 13.316 -1.252 1.00 2.72 H new ATOM 0 HG3 LYS A 48 7.442 12.467 -0.430 1.00 2.72 H new ATOM 0 HD2 LYS A 48 8.181 11.416 -2.527 1.00 2.89 H new ATOM 0 HD3 LYS A 48 6.780 12.028 -3.385 1.00 2.89 H new ATOM 0 HE2 LYS A 48 7.631 14.408 -2.598 1.00 3.81 H new ATOM 0 HE3 LYS A 48 9.154 13.593 -2.302 1.00 3.81 H new ATOM 0 HZ1 LYS A 48 9.062 14.487 -4.551 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 9.142 12.791 -4.602 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 7.666 13.581 -4.890 1.00 4.17 H new ATOM 764 N TYR A 49 4.976 9.633 1.559 1.00 0.96 N ATOM 765 CA TYR A 49 4.426 9.617 2.950 1.00 0.99 C ATOM 766 C TYR A 49 5.493 9.062 3.916 1.00 1.06 C ATOM 767 O TYR A 49 6.420 8.418 3.466 1.00 1.09 O ATOM 768 CB TYR A 49 3.217 8.670 2.910 1.00 1.08 C ATOM 769 CG TYR A 49 2.154 9.033 3.908 1.00 0.97 C ATOM 770 CD1 TYR A 49 1.815 10.368 4.136 1.00 2.01 C ATOM 771 CD2 TYR A 49 1.495 8.014 4.606 1.00 1.64 C ATOM 772 CE1 TYR A 49 0.825 10.686 5.064 1.00 2.26 C ATOM 773 CE2 TYR A 49 0.498 8.334 5.532 1.00 1.73 C ATOM 774 CZ TYR A 49 0.163 9.672 5.763 1.00 1.52 C ATOM 775 OH TYR A 49 -0.820 9.990 6.676 1.00 1.96 O ATOM 0 H TYR A 49 4.405 9.129 0.881 1.00 0.96 H new ATOM 0 HA TYR A 49 4.145 10.614 3.290 1.00 0.99 H new ATOM 0 HB2 TYR A 49 2.787 8.681 1.909 1.00 1.08 H new ATOM 0 HB3 TYR A 49 3.554 7.651 3.101 1.00 1.08 H new ATOM 0 HD1 TYR A 49 2.320 11.154 3.594 1.00 2.01 H new ATOM 0 HD2 TYR A 49 1.757 6.981 4.429 1.00 1.64 H new ATOM 0 HE1 TYR A 49 0.568 11.719 5.244 1.00 2.26 H new ATOM 0 HE2 TYR A 49 -0.013 7.549 6.069 1.00 1.73 H new ATOM 0 HH TYR A 49 -1.696 9.745 6.312 1.00 1.96 H new ATOM 785 N PRO A 50 5.352 9.295 5.219 1.00 1.28 N ATOM 786 CA PRO A 50 6.328 8.775 6.187 1.00 1.45 C ATOM 787 C PRO A 50 6.326 7.237 6.190 1.00 1.32 C ATOM 788 O PRO A 50 7.189 6.640 6.797 1.00 1.51 O ATOM 789 CB PRO A 50 5.890 9.336 7.545 1.00 1.75 C ATOM 790 CG PRO A 50 4.716 10.305 7.285 1.00 1.75 C ATOM 791 CD PRO A 50 4.259 10.080 5.838 1.00 1.52 C ATOM 0 HA PRO A 50 7.347 9.075 5.942 1.00 1.45 H new ATOM 0 HB2 PRO A 50 5.583 8.531 8.212 1.00 1.75 H new ATOM 0 HB3 PRO A 50 6.716 9.855 8.031 1.00 1.75 H new ATOM 0 HG2 PRO A 50 3.899 10.116 7.981 1.00 1.75 H new ATOM 0 HG3 PRO A 50 5.029 11.338 7.434 1.00 1.75 H new ATOM 0 HD2 PRO A 50 3.313 9.540 5.800 1.00 1.52 H new ATOM 0 HD3 PRO A 50 4.107 11.026 5.319 1.00 1.52 H new ATOM 799 N HIS A 51 5.377 6.590 5.503 1.00 1.12 N ATOM 800 CA HIS A 51 5.331 5.086 5.430 1.00 1.16 C ATOM 801 C HIS A 51 4.555 4.507 6.636 1.00 1.64 C ATOM 802 O HIS A 51 3.411 4.858 6.828 1.00 3.01 O ATOM 803 CB HIS A 51 6.751 4.493 5.304 1.00 1.54 C ATOM 804 CG HIS A 51 7.559 5.275 4.303 1.00 1.47 C ATOM 805 ND1 HIS A 51 8.659 6.032 4.673 1.00 2.26 N ATOM 806 CD2 HIS A 51 7.445 5.417 2.943 1.00 2.46 C ATOM 807 CE1 HIS A 51 9.160 6.591 3.557 1.00 2.80 C ATOM 808 NE2 HIS A 51 8.457 6.248 2.473 1.00 3.05 N ATOM 0 H HIS A 51 4.630 7.058 4.989 1.00 1.12 H new ATOM 0 HA HIS A 51 4.790 4.797 4.529 1.00 1.16 H new ATOM 0 HB2 HIS A 51 7.247 4.511 6.275 1.00 1.54 H new ATOM 0 HB3 HIS A 51 6.690 3.449 4.996 1.00 1.54 H new ATOM 0 HD2 HIS A 51 6.685 4.954 2.331 1.00 2.46 H new ATOM 0 HE1 HIS A 51 10.025 7.238 3.539 1.00 2.80 H new ATOM 0 HE2 HIS A 51 8.626 6.534 1.509 1.00 3.05 H new ATOM 816 N LYS A 52 5.133 3.597 7.413 1.00 1.09 N ATOM 817 CA LYS A 52 4.418 2.958 8.582 1.00 1.60 C ATOM 818 C LYS A 52 3.456 3.928 9.285 1.00 1.47 C ATOM 819 O LYS A 52 2.399 3.529 9.726 1.00 2.86 O ATOM 820 CB LYS A 52 5.457 2.472 9.597 1.00 2.23 C ATOM 821 CG LYS A 52 4.771 1.637 10.685 1.00 3.49 C ATOM 822 CD LYS A 52 5.373 1.974 12.051 1.00 3.82 C ATOM 823 CE LYS A 52 4.294 1.850 13.129 1.00 5.45 C ATOM 824 NZ LYS A 52 3.664 0.502 13.050 1.00 7.21 N ATOM 0 H LYS A 52 6.089 3.267 7.280 1.00 1.09 H new ATOM 0 HA LYS A 52 3.827 2.129 8.192 1.00 1.60 H new ATOM 0 HB2 LYS A 52 6.218 1.876 9.094 1.00 2.23 H new ATOM 0 HB3 LYS A 52 5.966 3.325 10.047 1.00 2.23 H new ATOM 0 HG2 LYS A 52 3.700 1.838 10.690 1.00 3.49 H new ATOM 0 HG3 LYS A 52 4.895 0.575 10.474 1.00 3.49 H new ATOM 0 HD2 LYS A 52 6.201 1.301 12.271 1.00 3.82 H new ATOM 0 HD3 LYS A 52 5.778 2.986 12.042 1.00 3.82 H new ATOM 0 HE2 LYS A 52 4.732 2.001 14.116 1.00 5.45 H new ATOM 0 HE3 LYS A 52 3.539 2.624 12.993 1.00 5.45 H new ATOM 0 HZ1 LYS A 52 3.194 0.285 13.952 1.00 7.21 H new ATOM 0 HZ2 LYS A 52 2.962 0.491 12.283 1.00 7.21 H new ATOM 0 HZ3 LYS A 52 4.395 -0.212 12.860 1.00 7.21 H new ATOM 838 N ILE A 53 3.825 5.191 9.372 1.00 1.74 N ATOM 839 CA ILE A 53 2.954 6.239 10.027 1.00 2.20 C ATOM 840 C ILE A 53 2.280 5.701 11.308 1.00 2.46 C ATOM 841 O ILE A 53 2.698 4.704 11.866 1.00 2.71 O ATOM 842 CB ILE A 53 1.887 6.715 9.020 1.00 2.56 C ATOM 843 CG1 ILE A 53 0.970 5.547 8.626 1.00 2.42 C ATOM 844 CG2 ILE A 53 2.573 7.267 7.766 1.00 2.81 C ATOM 845 CD1 ILE A 53 -0.340 6.080 8.043 1.00 3.07 C ATOM 0 H ILE A 53 4.709 5.549 9.011 1.00 1.74 H new ATOM 0 HA ILE A 53 3.586 7.077 10.320 1.00 2.20 H new ATOM 0 HB ILE A 53 1.288 7.497 9.486 1.00 2.56 H new ATOM 0 HG12 ILE A 53 1.471 4.912 7.895 1.00 2.42 H new ATOM 0 HG13 ILE A 53 0.763 4.927 9.498 1.00 2.42 H new ATOM 0 HG21 ILE A 53 1.817 7.603 7.056 1.00 2.81 H new ATOM 0 HG22 ILE A 53 3.212 8.107 8.040 1.00 2.81 H new ATOM 0 HG23 ILE A 53 3.179 6.485 7.308 1.00 2.81 H new ATOM 0 HD11 ILE A 53 -0.982 5.244 7.767 1.00 3.07 H new ATOM 0 HD12 ILE A 53 -0.845 6.696 8.787 1.00 3.07 H new ATOM 0 HD13 ILE A 53 -0.127 6.681 7.159 1.00 3.07 H new ATOM 857 N LYS A 54 1.239 6.354 11.773 1.00 2.79 N ATOM 858 CA LYS A 54 0.535 5.881 13.001 1.00 3.17 C ATOM 859 C LYS A 54 -0.343 4.678 12.643 1.00 2.51 C ATOM 860 O LYS A 54 -0.584 3.808 13.457 1.00 2.60 O ATOM 861 CB LYS A 54 -0.341 7.007 13.555 1.00 4.27 C ATOM 862 CG LYS A 54 0.530 8.227 13.866 1.00 5.19 C ATOM 863 CD LYS A 54 -0.366 9.424 14.188 1.00 6.58 C ATOM 864 CE LYS A 54 0.383 10.389 15.110 1.00 7.14 C ATOM 865 NZ LYS A 54 0.337 9.875 16.509 1.00 6.71 N ATOM 0 H LYS A 54 0.849 7.196 11.351 1.00 2.79 H new ATOM 0 HA LYS A 54 1.267 5.591 13.755 1.00 3.17 H new ATOM 0 HB2 LYS A 54 -1.111 7.272 12.831 1.00 4.27 H new ATOM 0 HB3 LYS A 54 -0.853 6.673 14.457 1.00 4.27 H new ATOM 0 HG2 LYS A 54 1.186 8.013 14.709 1.00 5.19 H new ATOM 0 HG3 LYS A 54 1.170 8.457 13.014 1.00 5.19 H new ATOM 0 HD2 LYS A 54 -0.655 9.933 13.269 1.00 6.58 H new ATOM 0 HD3 LYS A 54 -1.285 9.086 14.667 1.00 6.58 H new ATOM 0 HE2 LYS A 54 1.418 10.492 14.783 1.00 7.14 H new ATOM 0 HE3 LYS A 54 -0.068 11.380 15.060 1.00 7.14 H new ATOM 0 HZ1 LYS A 54 1.183 10.192 17.023 1.00 6.71 H new ATOM 0 HZ2 LYS A 54 -0.514 10.238 16.985 1.00 6.71 H new ATOM 0 HZ3 LYS A 54 0.309 8.835 16.496 1.00 6.71 H new ATOM 879 N SER A 55 -0.823 4.628 11.419 1.00 2.53 N ATOM 880 CA SER A 55 -1.690 3.494 10.958 1.00 2.83 C ATOM 881 C SER A 55 -3.091 3.639 11.550 1.00 1.71 C ATOM 882 O SER A 55 -3.275 3.608 12.752 1.00 2.73 O ATOM 883 CB SER A 55 -1.092 2.142 11.375 1.00 4.15 C ATOM 884 OG SER A 55 -1.413 1.164 10.393 1.00 6.00 O ATOM 0 H SER A 55 -0.646 5.339 10.709 1.00 2.53 H new ATOM 0 HA SER A 55 -1.747 3.527 9.870 1.00 2.83 H new ATOM 0 HB2 SER A 55 -0.010 2.227 11.481 1.00 4.15 H new ATOM 0 HB3 SER A 55 -1.485 1.841 12.346 1.00 4.15 H new ATOM 0 HG SER A 55 -1.447 0.279 10.812 1.00 6.00 H new ATOM 890 N GLY A 56 -4.078 3.794 10.705 1.00 1.82 N ATOM 891 CA GLY A 56 -5.477 3.941 11.196 1.00 2.50 C ATOM 892 C GLY A 56 -6.259 4.856 10.251 1.00 2.18 C ATOM 893 O GLY A 56 -6.642 4.459 9.167 1.00 2.10 O ATOM 0 H GLY A 56 -3.972 3.825 9.691 1.00 1.82 H new ATOM 0 HA2 GLY A 56 -5.958 2.964 11.253 1.00 2.50 H new ATOM 0 HA3 GLY A 56 -5.478 4.356 12.204 1.00 2.50 H new ATOM 897 N ALA A 57 -6.499 6.078 10.656 1.00 2.20 N ATOM 898 CA ALA A 57 -7.259 7.027 9.787 1.00 2.09 C ATOM 899 C ALA A 57 -6.302 7.817 8.878 1.00 1.87 C ATOM 900 O ALA A 57 -6.729 8.683 8.138 1.00 1.91 O ATOM 901 CB ALA A 57 -8.039 8.002 10.671 1.00 2.49 C ATOM 0 H ALA A 57 -6.200 6.460 11.553 1.00 2.20 H new ATOM 0 HA ALA A 57 -7.944 6.457 9.159 1.00 2.09 H new ATOM 0 HB1 ALA A 57 -8.596 8.697 10.043 1.00 2.49 H new ATOM 0 HB2 ALA A 57 -8.734 7.446 11.301 1.00 2.49 H new ATOM 0 HB3 ALA A 57 -7.344 8.558 11.300 1.00 2.49 H new ATOM 907 N GLU A 58 -5.019 7.534 8.923 1.00 1.72 N ATOM 908 CA GLU A 58 -4.056 8.278 8.057 1.00 1.56 C ATOM 909 C GLU A 58 -4.124 7.731 6.628 1.00 1.34 C ATOM 910 O GLU A 58 -4.237 8.477 5.674 1.00 1.33 O ATOM 911 CB GLU A 58 -2.640 8.108 8.606 1.00 1.66 C ATOM 912 CG GLU A 58 -2.455 9.008 9.829 1.00 2.31 C ATOM 913 CD GLU A 58 -1.899 10.364 9.387 1.00 3.29 C ATOM 914 OE1 GLU A 58 -2.600 11.065 8.677 1.00 4.66 O ATOM 915 OE2 GLU A 58 -0.782 10.675 9.765 1.00 3.53 O ATOM 0 H GLU A 58 -4.602 6.821 9.522 1.00 1.72 H new ATOM 0 HA GLU A 58 -4.316 9.337 8.050 1.00 1.56 H new ATOM 0 HB2 GLU A 58 -2.467 7.067 8.878 1.00 1.66 H new ATOM 0 HB3 GLU A 58 -1.908 8.363 7.839 1.00 1.66 H new ATOM 0 HG2 GLU A 58 -3.408 9.143 10.341 1.00 2.31 H new ATOM 0 HG3 GLU A 58 -1.775 8.538 10.540 1.00 2.31 H new ATOM 922 N ALA A 59 -4.065 6.430 6.472 1.00 1.22 N ATOM 923 CA ALA A 59 -4.135 5.828 5.103 1.00 1.06 C ATOM 924 C ALA A 59 -5.410 6.303 4.392 1.00 1.04 C ATOM 925 O ALA A 59 -5.481 6.322 3.178 1.00 0.97 O ATOM 926 CB ALA A 59 -4.151 4.302 5.214 1.00 1.18 C ATOM 0 H ALA A 59 -3.971 5.759 7.234 1.00 1.22 H new ATOM 0 HA ALA A 59 -3.264 6.142 4.528 1.00 1.06 H new ATOM 0 HB1 ALA A 59 -4.202 3.865 4.217 1.00 1.18 H new ATOM 0 HB2 ALA A 59 -3.242 3.964 5.712 1.00 1.18 H new ATOM 0 HB3 ALA A 59 -5.020 3.988 5.792 1.00 1.18 H new ATOM 932 N LYS A 60 -6.413 6.692 5.144 1.00 1.22 N ATOM 933 CA LYS A 60 -7.678 7.174 4.523 1.00 1.32 C ATOM 934 C LYS A 60 -7.505 8.630 4.084 1.00 1.27 C ATOM 935 O LYS A 60 -8.007 9.035 3.052 1.00 1.36 O ATOM 936 CB LYS A 60 -8.816 7.077 5.542 1.00 1.57 C ATOM 937 CG LYS A 60 -9.547 5.744 5.368 1.00 1.66 C ATOM 938 CD LYS A 60 -10.705 5.920 4.386 1.00 3.11 C ATOM 939 CE LYS A 60 -11.776 4.864 4.665 1.00 3.35 C ATOM 940 NZ LYS A 60 -12.317 5.057 6.041 1.00 3.13 N ATOM 0 H LYS A 60 -6.405 6.695 6.164 1.00 1.22 H new ATOM 0 HA LYS A 60 -7.917 6.559 3.655 1.00 1.32 H new ATOM 0 HB2 LYS A 60 -8.419 7.157 6.554 1.00 1.57 H new ATOM 0 HB3 LYS A 60 -9.511 7.905 5.406 1.00 1.57 H new ATOM 0 HG2 LYS A 60 -8.857 4.984 5.000 1.00 1.66 H new ATOM 0 HG3 LYS A 60 -9.922 5.395 6.330 1.00 1.66 H new ATOM 0 HD2 LYS A 60 -11.130 6.919 4.484 1.00 3.11 H new ATOM 0 HD3 LYS A 60 -10.345 5.826 3.362 1.00 3.11 H new ATOM 0 HE2 LYS A 60 -12.579 4.943 3.932 1.00 3.35 H new ATOM 0 HE3 LYS A 60 -11.351 3.865 4.566 1.00 3.35 H new ATOM 0 HZ1 LYS A 60 -13.326 4.807 6.055 1.00 3.13 H new ATOM 0 HZ2 LYS A 60 -11.800 4.447 6.706 1.00 3.13 H new ATOM 0 HZ3 LYS A 60 -12.203 6.052 6.323 1.00 3.13 H new ATOM 954 N LYS A 61 -6.792 9.421 4.856 1.00 1.24 N ATOM 955 CA LYS A 61 -6.582 10.853 4.476 1.00 1.28 C ATOM 956 C LYS A 61 -5.887 10.928 3.105 1.00 1.23 C ATOM 957 O LYS A 61 -5.995 11.907 2.392 1.00 1.32 O ATOM 958 CB LYS A 61 -5.745 11.569 5.565 1.00 1.31 C ATOM 959 CG LYS A 61 -4.243 11.209 5.471 1.00 1.17 C ATOM 960 CD LYS A 61 -3.433 12.463 5.130 1.00 2.14 C ATOM 961 CE LYS A 61 -1.978 12.264 5.554 1.00 2.03 C ATOM 962 NZ LYS A 61 -1.238 13.550 5.409 1.00 3.02 N ATOM 0 H LYS A 61 -6.349 9.135 5.729 1.00 1.24 H new ATOM 0 HA LYS A 61 -7.545 11.357 4.401 1.00 1.28 H new ATOM 0 HB2 LYS A 61 -5.866 12.648 5.465 1.00 1.31 H new ATOM 0 HB3 LYS A 61 -6.122 11.296 6.550 1.00 1.31 H new ATOM 0 HG2 LYS A 61 -3.900 10.788 6.416 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -4.089 10.446 4.708 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -3.486 12.663 4.060 1.00 2.14 H new ATOM 0 HD3 LYS A 61 -3.855 13.330 5.638 1.00 2.14 H new ATOM 0 HE2 LYS A 61 -1.933 11.921 6.588 1.00 2.03 H new ATOM 0 HE3 LYS A 61 -1.512 11.493 4.941 1.00 2.03 H new ATOM 0 HZ1 LYS A 61 -0.277 13.443 5.792 1.00 3.02 H new ATOM 0 HZ2 LYS A 61 -1.183 13.807 4.403 1.00 3.02 H new ATOM 0 HZ3 LYS A 61 -1.737 14.298 5.931 1.00 3.02 H new ATOM 976 N LEU A 62 -5.171 9.889 2.741 1.00 1.18 N ATOM 977 CA LEU A 62 -4.454 9.865 1.428 1.00 1.20 C ATOM 978 C LEU A 62 -5.430 10.239 0.289 1.00 1.57 C ATOM 979 O LEU A 62 -6.628 10.137 0.468 1.00 2.46 O ATOM 980 CB LEU A 62 -3.898 8.451 1.193 1.00 1.44 C ATOM 981 CG LEU A 62 -2.955 8.043 2.340 1.00 1.43 C ATOM 982 CD1 LEU A 62 -2.349 6.673 2.032 1.00 1.79 C ATOM 983 CD2 LEU A 62 -1.820 9.066 2.491 1.00 1.28 C ATOM 0 H LEU A 62 -5.053 9.048 3.306 1.00 1.18 H new ATOM 0 HA LEU A 62 -3.637 10.587 1.441 1.00 1.20 H new ATOM 0 HB2 LEU A 62 -4.720 7.739 1.119 1.00 1.44 H new ATOM 0 HB3 LEU A 62 -3.362 8.418 0.245 1.00 1.44 H new ATOM 0 HG LEU A 62 -3.527 8.004 3.267 1.00 1.43 H new ATOM 0 HD11 LEU A 62 -1.681 6.380 2.842 1.00 1.79 H new ATOM 0 HD12 LEU A 62 -3.146 5.936 1.935 1.00 1.79 H new ATOM 0 HD13 LEU A 62 -1.788 6.725 1.099 1.00 1.79 H new ATOM 0 HD21 LEU A 62 -1.163 8.763 3.306 1.00 1.28 H new ATOM 0 HD22 LEU A 62 -1.249 9.116 1.564 1.00 1.28 H new ATOM 0 HD23 LEU A 62 -2.241 10.047 2.711 1.00 1.28 H new ATOM 995 N PRO A 63 -4.908 10.669 -0.853 1.00 1.36 N ATOM 996 CA PRO A 63 -5.760 11.058 -1.997 1.00 1.76 C ATOM 997 C PRO A 63 -6.762 9.948 -2.340 1.00 2.03 C ATOM 998 O PRO A 63 -7.811 10.207 -2.900 1.00 3.53 O ATOM 999 CB PRO A 63 -4.783 11.301 -3.155 1.00 2.12 C ATOM 1000 CG PRO A 63 -3.347 11.215 -2.583 1.00 2.54 C ATOM 1001 CD PRO A 63 -3.455 10.800 -1.108 1.00 1.76 C ATOM 0 HA PRO A 63 -6.358 11.943 -1.779 1.00 1.76 H new ATOM 0 HB2 PRO A 63 -4.927 10.559 -3.940 1.00 2.12 H new ATOM 0 HB3 PRO A 63 -4.958 12.278 -3.605 1.00 2.12 H new ATOM 0 HG2 PRO A 63 -2.756 10.490 -3.142 1.00 2.54 H new ATOM 0 HG3 PRO A 63 -2.841 12.176 -2.674 1.00 2.54 H new ATOM 0 HD2 PRO A 63 -2.935 9.860 -0.923 1.00 1.76 H new ATOM 0 HD3 PRO A 63 -3.005 11.547 -0.454 1.00 1.76 H new ATOM 1009 N GLY A 64 -6.457 8.722 -1.993 1.00 1.67 N ATOM 1010 CA GLY A 64 -7.406 7.607 -2.285 1.00 2.71 C ATOM 1011 C GLY A 64 -6.687 6.472 -3.015 1.00 1.98 C ATOM 1012 O GLY A 64 -6.164 6.646 -4.099 1.00 2.50 O ATOM 0 H GLY A 64 -5.595 8.447 -1.522 1.00 1.67 H new ATOM 0 HA2 GLY A 64 -7.837 7.235 -1.355 1.00 2.71 H new ATOM 0 HA3 GLY A 64 -8.232 7.974 -2.894 1.00 2.71 H new ATOM 1016 N VAL A 65 -6.678 5.302 -2.428 1.00 2.14 N ATOM 1017 CA VAL A 65 -6.018 4.131 -3.074 1.00 2.67 C ATOM 1018 C VAL A 65 -7.103 3.096 -3.411 1.00 3.95 C ATOM 1019 O VAL A 65 -7.365 2.817 -4.566 1.00 6.01 O ATOM 1020 CB VAL A 65 -4.970 3.538 -2.107 1.00 2.63 C ATOM 1021 CG1 VAL A 65 -4.465 2.173 -2.612 1.00 3.03 C ATOM 1022 CG2 VAL A 65 -3.783 4.504 -2.001 1.00 2.20 C ATOM 0 H VAL A 65 -7.104 5.108 -1.522 1.00 2.14 H new ATOM 0 HA VAL A 65 -5.506 4.428 -3.989 1.00 2.67 H new ATOM 0 HB VAL A 65 -5.436 3.397 -1.132 1.00 2.63 H new ATOM 0 HG11 VAL A 65 -3.728 1.777 -1.914 1.00 3.03 H new ATOM 0 HG12 VAL A 65 -5.303 1.480 -2.687 1.00 3.03 H new ATOM 0 HG13 VAL A 65 -4.006 2.295 -3.593 1.00 3.03 H new ATOM 0 HG21 VAL A 65 -3.038 4.092 -1.320 1.00 2.20 H new ATOM 0 HG22 VAL A 65 -3.337 4.642 -2.986 1.00 2.20 H new ATOM 0 HG23 VAL A 65 -4.129 5.466 -1.622 1.00 2.20 H new ATOM 1032 N GLY A 66 -7.729 2.531 -2.409 1.00 2.99 N ATOM 1033 CA GLY A 66 -8.794 1.517 -2.664 1.00 4.34 C ATOM 1034 C GLY A 66 -9.787 1.508 -1.501 1.00 3.16 C ATOM 1035 O GLY A 66 -10.108 2.540 -0.942 1.00 3.25 O ATOM 0 H GLY A 66 -7.547 2.729 -1.425 1.00 2.99 H new ATOM 0 HA2 GLY A 66 -9.312 1.746 -3.595 1.00 4.34 H new ATOM 0 HA3 GLY A 66 -8.348 0.529 -2.782 1.00 4.34 H new ATOM 1039 N THR A 67 -10.277 0.350 -1.139 1.00 2.93 N ATOM 1040 CA THR A 67 -11.257 0.265 -0.016 1.00 2.18 C ATOM 1041 C THR A 67 -10.744 -0.700 1.057 1.00 1.51 C ATOM 1042 O THR A 67 -10.924 -0.472 2.239 1.00 2.56 O ATOM 1043 CB THR A 67 -12.600 -0.240 -0.551 1.00 3.04 C ATOM 1044 OG1 THR A 67 -12.379 -1.355 -1.404 1.00 4.23 O ATOM 1045 CG2 THR A 67 -13.292 0.876 -1.335 1.00 3.83 C ATOM 0 H THR A 67 -10.040 -0.542 -1.574 1.00 2.93 H new ATOM 0 HA THR A 67 -11.382 1.255 0.423 1.00 2.18 H new ATOM 0 HB THR A 67 -13.234 -0.540 0.283 1.00 3.04 H new ATOM 0 HG1 THR A 67 -13.238 -1.681 -1.746 1.00 4.23 H new ATOM 0 HG21 THR A 67 -14.248 0.515 -1.715 1.00 3.83 H new ATOM 0 HG22 THR A 67 -13.462 1.730 -0.679 1.00 3.83 H new ATOM 0 HG23 THR A 67 -12.661 1.179 -2.170 1.00 3.83 H new ATOM 1053 N LYS A 68 -10.113 -1.779 0.658 1.00 1.31 N ATOM 1054 CA LYS A 68 -9.598 -2.760 1.660 1.00 1.45 C ATOM 1055 C LYS A 68 -8.077 -2.905 1.530 1.00 1.16 C ATOM 1056 O LYS A 68 -7.511 -3.907 1.929 1.00 1.08 O ATOM 1057 CB LYS A 68 -10.263 -4.122 1.429 1.00 2.75 C ATOM 1058 CG LYS A 68 -10.019 -4.582 -0.010 1.00 1.97 C ATOM 1059 CD LYS A 68 -10.738 -5.912 -0.248 1.00 2.61 C ATOM 1060 CE LYS A 68 -9.965 -7.040 0.437 1.00 4.09 C ATOM 1061 NZ LYS A 68 -8.800 -7.429 -0.407 1.00 5.12 N ATOM 0 H LYS A 68 -9.934 -2.021 -0.317 1.00 1.31 H new ATOM 0 HA LYS A 68 -9.834 -2.400 2.661 1.00 1.45 H new ATOM 0 HB2 LYS A 68 -9.862 -4.856 2.128 1.00 2.75 H new ATOM 0 HB3 LYS A 68 -11.334 -4.051 1.621 1.00 2.75 H new ATOM 0 HG2 LYS A 68 -10.382 -3.830 -0.710 1.00 1.97 H new ATOM 0 HG3 LYS A 68 -8.950 -4.696 -0.190 1.00 1.97 H new ATOM 0 HD2 LYS A 68 -11.754 -5.863 0.143 1.00 2.61 H new ATOM 0 HD3 LYS A 68 -10.817 -6.108 -1.317 1.00 2.61 H new ATOM 0 HE2 LYS A 68 -9.623 -6.716 1.420 1.00 4.09 H new ATOM 0 HE3 LYS A 68 -10.617 -7.899 0.593 1.00 4.09 H new ATOM 0 HZ1 LYS A 68 -8.396 -8.319 -0.052 1.00 5.12 H new ATOM 0 HZ2 LYS A 68 -9.112 -7.559 -1.391 1.00 5.12 H new ATOM 0 HZ3 LYS A 68 -8.078 -6.681 -0.368 1.00 5.12 H new ATOM 1075 N ILE A 69 -7.410 -1.915 0.988 1.00 1.18 N ATOM 1076 CA ILE A 69 -5.925 -1.999 0.849 1.00 0.95 C ATOM 1077 C ILE A 69 -5.258 -1.413 2.099 1.00 0.73 C ATOM 1078 O ILE A 69 -4.138 -1.756 2.430 1.00 0.62 O ATOM 1079 CB ILE A 69 -5.475 -1.218 -0.388 1.00 0.98 C ATOM 1080 CG1 ILE A 69 -6.230 -1.730 -1.615 1.00 1.29 C ATOM 1081 CG2 ILE A 69 -3.973 -1.412 -0.600 1.00 1.01 C ATOM 1082 CD1 ILE A 69 -6.174 -0.676 -2.719 1.00 1.88 C ATOM 0 H ILE A 69 -7.830 -1.054 0.637 1.00 1.18 H new ATOM 0 HA ILE A 69 -5.633 -3.043 0.739 1.00 0.95 H new ATOM 0 HB ILE A 69 -5.687 -0.159 -0.243 1.00 0.98 H new ATOM 0 HG12 ILE A 69 -5.788 -2.663 -1.965 1.00 1.29 H new ATOM 0 HG13 ILE A 69 -7.266 -1.946 -1.355 1.00 1.29 H new ATOM 0 HG21 ILE A 69 -3.655 -0.855 -1.481 1.00 1.01 H new ATOM 0 HG22 ILE A 69 -3.432 -1.048 0.274 1.00 1.01 H new ATOM 0 HG23 ILE A 69 -3.760 -2.471 -0.744 1.00 1.01 H new ATOM 0 HD11 ILE A 69 -6.712 -1.038 -3.595 1.00 1.88 H new ATOM 0 HD12 ILE A 69 -6.636 0.246 -2.366 1.00 1.88 H new ATOM 0 HD13 ILE A 69 -5.135 -0.483 -2.985 1.00 1.88 H new ATOM 1094 N ALA A 70 -5.939 -0.535 2.800 1.00 0.77 N ATOM 1095 CA ALA A 70 -5.346 0.067 4.033 1.00 0.71 C ATOM 1096 C ALA A 70 -5.067 -1.044 5.048 1.00 0.77 C ATOM 1097 O ALA A 70 -4.096 -0.997 5.783 1.00 0.76 O ATOM 1098 CB ALA A 70 -6.329 1.076 4.631 1.00 0.86 C ATOM 0 H ALA A 70 -6.878 -0.211 2.570 1.00 0.77 H new ATOM 0 HA ALA A 70 -4.415 0.577 3.784 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -5.897 1.515 5.530 1.00 0.86 H new ATOM 0 HB2 ALA A 70 -6.531 1.862 3.904 1.00 0.86 H new ATOM 0 HB3 ALA A 70 -7.260 0.570 4.886 1.00 0.86 H new ATOM 1104 N GLU A 71 -5.906 -2.050 5.080 1.00 0.95 N ATOM 1105 CA GLU A 71 -5.692 -3.178 6.030 1.00 1.06 C ATOM 1106 C GLU A 71 -4.389 -3.889 5.663 1.00 0.83 C ATOM 1107 O GLU A 71 -3.683 -4.390 6.515 1.00 0.80 O ATOM 1108 CB GLU A 71 -6.859 -4.163 5.932 1.00 1.34 C ATOM 1109 CG GLU A 71 -6.818 -5.124 7.121 1.00 2.16 C ATOM 1110 CD GLU A 71 -7.235 -4.381 8.393 1.00 3.37 C ATOM 1111 OE1 GLU A 71 -8.393 -4.005 8.483 1.00 3.79 O ATOM 1112 OE2 GLU A 71 -6.391 -4.203 9.255 1.00 4.67 O ATOM 0 H GLU A 71 -6.731 -2.136 4.486 1.00 0.95 H new ATOM 0 HA GLU A 71 -5.633 -2.797 7.050 1.00 1.06 H new ATOM 0 HB2 GLU A 71 -7.805 -3.622 5.921 1.00 1.34 H new ATOM 0 HB3 GLU A 71 -6.800 -4.721 4.998 1.00 1.34 H new ATOM 0 HG2 GLU A 71 -7.486 -5.967 6.944 1.00 2.16 H new ATOM 0 HG3 GLU A 71 -5.814 -5.532 7.238 1.00 2.16 H new ATOM 1119 N LYS A 72 -4.064 -3.922 4.394 1.00 0.77 N ATOM 1120 CA LYS A 72 -2.801 -4.582 3.955 1.00 0.70 C ATOM 1121 C LYS A 72 -1.612 -3.787 4.497 1.00 0.58 C ATOM 1122 O LYS A 72 -0.566 -4.337 4.781 1.00 0.66 O ATOM 1123 CB LYS A 72 -2.743 -4.620 2.426 1.00 0.85 C ATOM 1124 CG LYS A 72 -3.726 -5.670 1.905 1.00 1.66 C ATOM 1125 CD LYS A 72 -3.788 -5.597 0.377 1.00 2.11 C ATOM 1126 CE LYS A 72 -2.763 -6.561 -0.222 1.00 2.20 C ATOM 1127 NZ LYS A 72 -1.456 -5.862 -0.381 1.00 3.62 N ATOM 0 H LYS A 72 -4.623 -3.518 3.643 1.00 0.77 H new ATOM 0 HA LYS A 72 -2.766 -5.603 4.336 1.00 0.70 H new ATOM 0 HB2 LYS A 72 -2.990 -3.640 2.017 1.00 0.85 H new ATOM 0 HB3 LYS A 72 -1.732 -4.857 2.095 1.00 0.85 H new ATOM 0 HG2 LYS A 72 -3.412 -6.665 2.220 1.00 1.66 H new ATOM 0 HG3 LYS A 72 -4.716 -5.499 2.328 1.00 1.66 H new ATOM 0 HD2 LYS A 72 -4.789 -5.853 0.030 1.00 2.11 H new ATOM 0 HD3 LYS A 72 -3.585 -4.580 0.042 1.00 2.11 H new ATOM 0 HE2 LYS A 72 -2.646 -7.431 0.424 1.00 2.20 H new ATOM 0 HE3 LYS A 72 -3.112 -6.926 -1.188 1.00 2.20 H new ATOM 0 HZ1 LYS A 72 -1.271 -5.698 -1.391 1.00 3.62 H new ATOM 0 HZ2 LYS A 72 -1.487 -4.950 0.118 1.00 3.62 H new ATOM 0 HZ3 LYS A 72 -0.697 -6.450 0.019 1.00 3.62 H new ATOM 1141 N ILE A 73 -1.772 -2.494 4.654 1.00 0.57 N ATOM 1142 CA ILE A 73 -0.661 -1.650 5.192 1.00 0.54 C ATOM 1143 C ILE A 73 -0.326 -2.148 6.614 1.00 0.69 C ATOM 1144 O ILE A 73 0.806 -2.491 6.916 1.00 1.01 O ATOM 1145 CB ILE A 73 -1.118 -0.156 5.155 1.00 0.64 C ATOM 1146 CG1 ILE A 73 -0.351 0.573 4.046 1.00 1.53 C ATOM 1147 CG2 ILE A 73 -0.872 0.586 6.482 1.00 1.46 C ATOM 1148 CD1 ILE A 73 -1.068 0.376 2.711 1.00 0.85 C ATOM 0 H ILE A 73 -2.628 -1.986 4.431 1.00 0.57 H new ATOM 0 HA ILE A 73 0.248 -1.727 4.595 1.00 0.54 H new ATOM 0 HB ILE A 73 -2.193 -0.158 4.972 1.00 0.64 H new ATOM 0 HG12 ILE A 73 -0.279 1.636 4.278 1.00 1.53 H new ATOM 0 HG13 ILE A 73 0.668 0.191 3.983 1.00 1.53 H new ATOM 0 HG21 ILE A 73 -1.211 1.618 6.390 1.00 1.46 H new ATOM 0 HG22 ILE A 73 -1.424 0.093 7.282 1.00 1.46 H new ATOM 0 HG23 ILE A 73 0.193 0.573 6.714 1.00 1.46 H new ATOM 0 HD11 ILE A 73 -0.521 0.895 1.924 1.00 0.85 H new ATOM 0 HD12 ILE A 73 -1.117 -0.688 2.478 1.00 0.85 H new ATOM 0 HD13 ILE A 73 -2.078 0.780 2.778 1.00 0.85 H new ATOM 1160 N ASP A 74 -1.312 -2.204 7.472 1.00 0.83 N ATOM 1161 CA ASP A 74 -1.073 -2.692 8.861 1.00 1.07 C ATOM 1162 C ASP A 74 -0.608 -4.153 8.812 1.00 0.97 C ATOM 1163 O ASP A 74 0.075 -4.623 9.701 1.00 1.20 O ATOM 1164 CB ASP A 74 -2.370 -2.597 9.666 1.00 1.31 C ATOM 1165 CG ASP A 74 -2.041 -2.396 11.145 1.00 2.36 C ATOM 1166 OD1 ASP A 74 -1.872 -1.256 11.545 1.00 2.92 O ATOM 1167 OD2 ASP A 74 -1.962 -3.386 11.854 1.00 3.54 O ATOM 0 H ASP A 74 -2.274 -1.932 7.269 1.00 0.83 H new ATOM 0 HA ASP A 74 -0.306 -2.080 9.336 1.00 1.07 H new ATOM 0 HB2 ASP A 74 -2.976 -1.768 9.302 1.00 1.31 H new ATOM 0 HB3 ASP A 74 -2.959 -3.504 9.534 1.00 1.31 H new ATOM 1172 N GLU A 75 -0.974 -4.871 7.775 1.00 0.76 N ATOM 1173 CA GLU A 75 -0.558 -6.298 7.658 1.00 0.87 C ATOM 1174 C GLU A 75 0.959 -6.376 7.490 1.00 1.15 C ATOM 1175 O GLU A 75 1.606 -7.253 8.032 1.00 1.43 O ATOM 1176 CB GLU A 75 -1.239 -6.930 6.442 1.00 0.88 C ATOM 1177 CG GLU A 75 -1.490 -8.415 6.709 1.00 1.18 C ATOM 1178 CD GLU A 75 -0.253 -9.222 6.312 1.00 2.36 C ATOM 1179 OE1 GLU A 75 -0.089 -9.473 5.129 1.00 3.22 O ATOM 1180 OE2 GLU A 75 0.510 -9.576 7.196 1.00 3.53 O ATOM 0 H GLU A 75 -1.545 -4.525 7.004 1.00 0.76 H new ATOM 0 HA GLU A 75 -0.851 -6.836 8.559 1.00 0.87 H new ATOM 0 HB2 GLU A 75 -2.182 -6.423 6.236 1.00 0.88 H new ATOM 0 HB3 GLU A 75 -0.612 -6.810 5.558 1.00 0.88 H new ATOM 0 HG2 GLU A 75 -1.717 -8.572 7.763 1.00 1.18 H new ATOM 0 HG3 GLU A 75 -2.357 -8.756 6.142 1.00 1.18 H new ATOM 1187 N PHE A 76 1.535 -5.460 6.748 1.00 1.16 N ATOM 1188 CA PHE A 76 3.016 -5.473 6.548 1.00 1.55 C ATOM 1189 C PHE A 76 3.705 -5.294 7.889 1.00 1.83 C ATOM 1190 O PHE A 76 4.656 -5.982 8.212 1.00 2.29 O ATOM 1191 CB PHE A 76 3.439 -4.324 5.618 1.00 1.49 C ATOM 1192 CG PHE A 76 2.557 -4.257 4.383 1.00 1.41 C ATOM 1193 CD1 PHE A 76 2.077 -5.427 3.772 1.00 2.27 C ATOM 1194 CD2 PHE A 76 2.229 -3.008 3.844 1.00 2.26 C ATOM 1195 CE1 PHE A 76 1.272 -5.341 2.629 1.00 2.51 C ATOM 1196 CE2 PHE A 76 1.426 -2.923 2.702 1.00 2.56 C ATOM 1197 CZ PHE A 76 0.946 -4.089 2.094 1.00 2.13 C ATOM 0 H PHE A 76 1.042 -4.704 6.273 1.00 1.16 H new ATOM 0 HA PHE A 76 3.301 -6.424 6.099 1.00 1.55 H new ATOM 0 HB2 PHE A 76 3.385 -3.378 6.158 1.00 1.49 H new ATOM 0 HB3 PHE A 76 4.478 -4.460 5.318 1.00 1.49 H new ATOM 0 HD1 PHE A 76 2.329 -6.393 4.184 1.00 2.27 H new ATOM 0 HD2 PHE A 76 2.597 -2.107 4.311 1.00 2.26 H new ATOM 0 HE1 PHE A 76 0.903 -6.241 2.160 1.00 2.51 H new ATOM 0 HE2 PHE A 76 1.176 -1.957 2.289 1.00 2.56 H new ATOM 0 HZ PHE A 76 0.325 -4.023 1.213 1.00 2.13 H new ATOM 1207 N LEU A 77 3.244 -4.353 8.655 1.00 1.74 N ATOM 1208 CA LEU A 77 3.875 -4.082 9.975 1.00 2.26 C ATOM 1209 C LEU A 77 3.180 -4.877 11.092 1.00 2.48 C ATOM 1210 O LEU A 77 3.519 -4.737 12.253 1.00 3.12 O ATOM 1211 CB LEU A 77 3.795 -2.579 10.246 1.00 2.36 C ATOM 1212 CG LEU A 77 4.362 -1.819 9.034 1.00 2.09 C ATOM 1213 CD1 LEU A 77 3.523 -0.574 8.766 1.00 1.85 C ATOM 1214 CD2 LEU A 77 5.810 -1.424 9.308 1.00 2.78 C ATOM 0 H LEU A 77 2.451 -3.754 8.424 1.00 1.74 H new ATOM 0 HA LEU A 77 4.917 -4.400 9.956 1.00 2.26 H new ATOM 0 HB2 LEU A 77 2.761 -2.284 10.425 1.00 2.36 H new ATOM 0 HB3 LEU A 77 4.359 -2.328 11.145 1.00 2.36 H new ATOM 0 HG LEU A 77 4.328 -2.464 8.156 1.00 2.09 H new ATOM 0 HD11 LEU A 77 3.929 -0.040 7.907 1.00 1.85 H new ATOM 0 HD12 LEU A 77 2.494 -0.867 8.558 1.00 1.85 H new ATOM 0 HD13 LEU A 77 3.546 0.075 9.641 1.00 1.85 H new ATOM 0 HD21 LEU A 77 6.209 -0.886 8.448 1.00 2.78 H new ATOM 0 HD22 LEU A 77 5.852 -0.783 10.189 1.00 2.78 H new ATOM 0 HD23 LEU A 77 6.405 -2.320 9.483 1.00 2.78 H new ATOM 1226 N ALA A 78 2.223 -5.715 10.760 1.00 2.06 N ATOM 1227 CA ALA A 78 1.527 -6.516 11.811 1.00 2.27 C ATOM 1228 C ALA A 78 2.259 -7.847 11.996 1.00 3.00 C ATOM 1229 O ALA A 78 2.771 -8.144 13.060 1.00 3.67 O ATOM 1230 CB ALA A 78 0.084 -6.786 11.381 1.00 1.63 C ATOM 0 H ALA A 78 1.897 -5.876 9.807 1.00 2.06 H new ATOM 0 HA ALA A 78 1.526 -5.962 12.750 1.00 2.27 H new ATOM 0 HB1 ALA A 78 -0.421 -7.371 12.150 1.00 1.63 H new ATOM 0 HB2 ALA A 78 -0.438 -5.839 11.244 1.00 1.63 H new ATOM 0 HB3 ALA A 78 0.082 -7.341 10.443 1.00 1.63 H new ATOM 1236 N THR A 79 2.310 -8.648 10.963 1.00 3.31 N ATOM 1237 CA THR A 79 3.000 -9.960 11.050 1.00 4.27 C ATOM 1238 C THR A 79 3.634 -10.259 9.679 1.00 5.61 C ATOM 1239 O THR A 79 4.063 -9.352 8.991 1.00 6.03 O ATOM 1240 CB THR A 79 1.972 -11.035 11.433 1.00 4.27 C ATOM 1241 OG1 THR A 79 1.031 -11.187 10.379 1.00 5.11 O ATOM 1242 CG2 THR A 79 1.244 -10.618 12.713 1.00 4.12 C ATOM 0 H THR A 79 1.896 -8.442 10.054 1.00 3.31 H new ATOM 0 HA THR A 79 3.783 -9.949 11.808 1.00 4.27 H new ATOM 0 HB THR A 79 2.485 -11.982 11.602 1.00 4.27 H new ATOM 0 HG1 THR A 79 0.376 -11.874 10.622 1.00 5.11 H new ATOM 0 HG21 THR A 79 0.515 -11.382 12.983 1.00 4.12 H new ATOM 0 HG22 THR A 79 1.966 -10.504 13.522 1.00 4.12 H new ATOM 0 HG23 THR A 79 0.732 -9.670 12.548 1.00 4.12 H new ATOM 1250 N GLY A 80 3.699 -11.505 9.272 1.00 6.93 N ATOM 1251 CA GLY A 80 4.306 -11.831 7.946 1.00 8.42 C ATOM 1252 C GLY A 80 5.782 -12.212 8.116 1.00 9.04 C ATOM 1253 O GLY A 80 6.379 -12.793 7.228 1.00 10.43 O ATOM 0 H GLY A 80 3.358 -12.308 9.801 1.00 6.93 H new ATOM 0 HA2 GLY A 80 3.762 -12.654 7.482 1.00 8.42 H new ATOM 0 HA3 GLY A 80 4.219 -10.974 7.278 1.00 8.42 H new ATOM 1257 N LYS A 81 6.377 -11.891 9.241 1.00 8.40 N ATOM 1258 CA LYS A 81 7.815 -12.238 9.454 1.00 9.53 C ATOM 1259 C LYS A 81 7.930 -13.714 9.840 1.00 10.16 C ATOM 1260 O LYS A 81 7.745 -14.082 10.983 1.00 9.94 O ATOM 1261 CB LYS A 81 8.387 -11.372 10.578 1.00 9.52 C ATOM 1262 CG LYS A 81 8.361 -9.902 10.155 1.00 9.62 C ATOM 1263 CD LYS A 81 9.628 -9.576 9.361 1.00 11.15 C ATOM 1264 CE LYS A 81 9.442 -8.247 8.626 1.00 11.89 C ATOM 1265 NZ LYS A 81 8.698 -8.482 7.356 1.00 13.04 N ATOM 0 H LYS A 81 5.929 -11.405 10.018 1.00 8.40 H new ATOM 0 HA LYS A 81 8.373 -12.057 8.535 1.00 9.53 H new ATOM 0 HB2 LYS A 81 7.805 -11.509 11.489 1.00 9.52 H new ATOM 0 HB3 LYS A 81 9.409 -11.678 10.803 1.00 9.52 H new ATOM 0 HG2 LYS A 81 7.478 -9.703 9.548 1.00 9.62 H new ATOM 0 HG3 LYS A 81 8.295 -9.261 11.034 1.00 9.62 H new ATOM 0 HD2 LYS A 81 10.485 -9.516 10.032 1.00 11.15 H new ATOM 0 HD3 LYS A 81 9.837 -10.372 8.647 1.00 11.15 H new ATOM 0 HE2 LYS A 81 8.896 -7.544 9.255 1.00 11.89 H new ATOM 0 HE3 LYS A 81 10.412 -7.797 8.414 1.00 11.89 H new ATOM 0 HZ1 LYS A 81 8.222 -7.604 7.065 1.00 13.04 H new ATOM 0 HZ2 LYS A 81 9.363 -8.778 6.613 1.00 13.04 H new ATOM 0 HZ3 LYS A 81 7.989 -9.228 7.502 1.00 13.04 H new ATOM 1279 N LEU A 82 8.236 -14.558 8.885 1.00 11.29 N ATOM 1280 CA LEU A 82 8.368 -16.021 9.170 1.00 12.15 C ATOM 1281 C LEU A 82 7.043 -16.566 9.711 1.00 12.32 C ATOM 1282 O LEU A 82 6.186 -15.821 10.145 1.00 11.92 O ATOM 1283 CB LEU A 82 9.481 -16.253 10.199 1.00 12.27 C ATOM 1284 CG LEU A 82 10.819 -15.744 9.640 1.00 12.93 C ATOM 1285 CD1 LEU A 82 11.177 -14.405 10.293 1.00 12.48 C ATOM 1286 CD2 LEU A 82 11.922 -16.765 9.940 1.00 14.01 C ATOM 0 H LEU A 82 8.401 -14.294 7.914 1.00 11.29 H new ATOM 0 HA LEU A 82 8.620 -16.542 8.246 1.00 12.15 H new ATOM 0 HB2 LEU A 82 9.244 -15.735 11.128 1.00 12.27 H new ATOM 0 HB3 LEU A 82 9.555 -17.314 10.436 1.00 12.27 H new ATOM 0 HG LEU A 82 10.729 -15.609 8.562 1.00 12.93 H new ATOM 0 HD11 LEU A 82 12.126 -14.048 9.894 1.00 12.48 H new ATOM 0 HD12 LEU A 82 10.396 -13.675 10.079 1.00 12.48 H new ATOM 0 HD13 LEU A 82 11.264 -14.538 11.371 1.00 12.48 H new ATOM 0 HD21 LEU A 82 12.870 -16.403 9.543 1.00 14.01 H new ATOM 0 HD22 LEU A 82 12.008 -16.901 11.018 1.00 14.01 H new ATOM 0 HD23 LEU A 82 11.673 -17.718 9.472 1.00 14.01 H new ATOM 1298 N ARG A 83 6.874 -17.864 9.684 1.00 13.25 N ATOM 1299 CA ARG A 83 5.608 -18.470 10.193 1.00 13.84 C ATOM 1300 C ARG A 83 5.485 -18.207 11.695 1.00 13.50 C ATOM 1301 O ARG A 83 4.489 -17.687 12.163 1.00 13.15 O ATOM 1302 CB ARG A 83 5.627 -19.978 9.939 1.00 15.05 C ATOM 1303 CG ARG A 83 5.662 -20.243 8.432 1.00 15.91 C ATOM 1304 CD ARG A 83 4.233 -20.375 7.904 1.00 16.49 C ATOM 1305 NE ARG A 83 3.787 -21.797 8.022 1.00 17.59 N ATOM 1306 CZ ARG A 83 2.516 -22.132 7.906 1.00 18.23 C ATOM 1307 NH1 ARG A 83 1.586 -21.233 7.681 1.00 18.04 N ATOM 1308 NH2 ARG A 83 2.176 -23.387 8.016 1.00 19.35 N ATOM 0 H ARG A 83 7.560 -18.531 9.330 1.00 13.25 H new ATOM 0 HA ARG A 83 4.758 -18.025 9.676 1.00 13.84 H new ATOM 0 HB2 ARG A 83 6.497 -20.427 10.418 1.00 15.05 H new ATOM 0 HB3 ARG A 83 4.745 -20.443 10.380 1.00 15.05 H new ATOM 0 HG2 ARG A 83 6.176 -19.429 7.921 1.00 15.91 H new ATOM 0 HG3 ARG A 83 6.223 -21.154 8.225 1.00 15.91 H new ATOM 0 HD2 ARG A 83 3.564 -19.725 8.468 1.00 16.49 H new ATOM 0 HD3 ARG A 83 4.187 -20.054 6.863 1.00 16.49 H new ATOM 0 HE ARG A 83 4.481 -22.524 8.196 1.00 17.59 H new ATOM 0 HH11 ARG A 83 1.839 -20.249 7.592 1.00 18.04 H new ATOM 0 HH12 ARG A 83 0.611 -21.519 7.595 1.00 18.04 H new ATOM 0 HH21 ARG A 83 2.889 -24.095 8.190 1.00 19.35 H new ATOM 0 HH22 ARG A 83 1.197 -23.660 7.928 1.00 19.35 H new ATOM 1322 N LYS A 84 6.492 -18.563 12.450 1.00 14.00 N ATOM 1323 CA LYS A 84 6.447 -18.337 13.926 1.00 14.10 C ATOM 1324 C LYS A 84 7.524 -17.323 14.321 1.00 14.26 C ATOM 1325 O LYS A 84 8.680 -17.664 14.489 1.00 14.94 O ATOM 1326 CB LYS A 84 6.683 -19.661 14.672 1.00 15.02 C ATOM 1327 CG LYS A 84 7.843 -20.435 14.036 1.00 15.94 C ATOM 1328 CD LYS A 84 8.436 -21.401 15.064 1.00 16.90 C ATOM 1329 CE LYS A 84 7.451 -22.545 15.317 1.00 17.80 C ATOM 1330 NZ LYS A 84 7.682 -23.630 14.324 1.00 18.71 N ATOM 0 H LYS A 84 7.346 -19.002 12.107 1.00 14.00 H new ATOM 0 HA LYS A 84 5.465 -17.950 14.197 1.00 14.10 H new ATOM 0 HB2 LYS A 84 6.903 -19.460 15.721 1.00 15.02 H new ATOM 0 HB3 LYS A 84 5.777 -20.266 14.647 1.00 15.02 H new ATOM 0 HG2 LYS A 84 7.492 -20.986 13.164 1.00 15.94 H new ATOM 0 HG3 LYS A 84 8.609 -19.742 13.688 1.00 15.94 H new ATOM 0 HD2 LYS A 84 9.385 -21.797 14.702 1.00 16.90 H new ATOM 0 HD3 LYS A 84 8.645 -20.874 15.995 1.00 16.90 H new ATOM 0 HE2 LYS A 84 7.578 -22.931 16.329 1.00 17.80 H new ATOM 0 HE3 LYS A 84 6.427 -22.180 15.241 1.00 17.80 H new ATOM 0 HZ1 LYS A 84 7.012 -24.407 14.497 1.00 18.71 H new ATOM 0 HZ2 LYS A 84 7.540 -23.257 13.363 1.00 18.71 H new ATOM 0 HZ3 LYS A 84 8.655 -23.985 14.417 1.00 18.71 H new ATOM 1344 N LEU A 85 7.149 -16.078 14.469 1.00 13.99 N ATOM 1345 CA LEU A 85 8.142 -15.029 14.851 1.00 14.59 C ATOM 1346 C LEU A 85 8.763 -15.368 16.211 1.00 15.29 C ATOM 1347 O LEU A 85 9.872 -14.964 16.509 1.00 15.75 O ATOM 1348 CB LEU A 85 7.444 -13.666 14.935 1.00 14.44 C ATOM 1349 CG LEU A 85 6.226 -13.760 15.866 1.00 14.22 C ATOM 1350 CD1 LEU A 85 6.189 -12.539 16.791 1.00 14.42 C ATOM 1351 CD2 LEU A 85 4.939 -13.803 15.033 1.00 14.55 C ATOM 0 H LEU A 85 6.195 -15.742 14.341 1.00 13.99 H new ATOM 0 HA LEU A 85 8.928 -14.991 14.097 1.00 14.59 H new ATOM 0 HB2 LEU A 85 8.140 -12.914 15.306 1.00 14.44 H new ATOM 0 HB3 LEU A 85 7.130 -13.347 13.941 1.00 14.44 H new ATOM 0 HG LEU A 85 6.303 -14.669 16.463 1.00 14.22 H new ATOM 0 HD11 LEU A 85 5.324 -12.608 17.450 1.00 14.42 H new ATOM 0 HD12 LEU A 85 7.100 -12.508 17.389 1.00 14.42 H new ATOM 0 HD13 LEU A 85 6.117 -11.631 16.192 1.00 14.42 H new ATOM 0 HD21 LEU A 85 4.078 -13.870 15.698 1.00 14.55 H new ATOM 0 HD22 LEU A 85 4.864 -12.897 14.432 1.00 14.55 H new ATOM 0 HD23 LEU A 85 4.959 -14.673 14.377 1.00 14.55 H new ATOM 1363 N GLU A 86 8.060 -16.106 17.033 1.00 15.70 N ATOM 1364 CA GLU A 86 8.609 -16.472 18.372 1.00 16.70 C ATOM 1365 C GLU A 86 8.120 -17.869 18.760 1.00 17.37 C ATOM 1366 O GLU A 86 8.903 -18.787 18.918 1.00 17.82 O ATOM 1367 CB GLU A 86 8.134 -15.458 19.414 1.00 16.87 C ATOM 1368 CG GLU A 86 9.221 -15.269 20.474 1.00 17.67 C ATOM 1369 CD GLU A 86 9.047 -13.905 21.147 1.00 18.02 C ATOM 1370 OE1 GLU A 86 9.413 -12.915 20.537 1.00 18.06 O ATOM 1371 OE2 GLU A 86 8.551 -13.876 22.261 1.00 18.49 O ATOM 0 H GLU A 86 7.129 -16.471 16.833 1.00 15.70 H new ATOM 0 HA GLU A 86 9.698 -16.467 18.331 1.00 16.70 H new ATOM 0 HB2 GLU A 86 7.909 -14.505 18.934 1.00 16.87 H new ATOM 0 HB3 GLU A 86 7.212 -15.805 19.881 1.00 16.87 H new ATOM 0 HG2 GLU A 86 9.161 -16.064 21.218 1.00 17.67 H new ATOM 0 HG3 GLU A 86 10.207 -15.337 20.015 1.00 17.67 H new ATOM 1378 N LYS A 87 6.830 -18.035 18.913 1.00 17.70 N ATOM 1379 CA LYS A 87 6.280 -19.369 19.291 1.00 18.66 C ATOM 1380 C LYS A 87 5.288 -19.834 18.223 1.00 19.16 C ATOM 1381 O LYS A 87 5.107 -21.033 18.092 1.00 19.96 O ATOM 1382 CB LYS A 87 5.565 -19.263 20.640 1.00 19.05 C ATOM 1383 CG LYS A 87 6.560 -18.809 21.710 1.00 19.40 C ATOM 1384 CD LYS A 87 5.821 -18.014 22.790 1.00 19.85 C ATOM 1385 CE LYS A 87 5.315 -18.971 23.873 1.00 20.86 C ATOM 1386 NZ LYS A 87 6.300 -19.021 24.990 1.00 21.65 N ATOM 1387 OXT LYS A 87 4.724 -18.982 17.556 1.00 18.97 O ATOM 0 H LYS A 87 6.133 -17.300 18.791 1.00 17.70 H new ATOM 0 HA LYS A 87 7.095 -20.089 19.367 1.00 18.66 H new ATOM 0 HB2 LYS A 87 4.740 -18.554 20.572 1.00 19.05 H new ATOM 0 HB3 LYS A 87 5.136 -20.227 20.913 1.00 19.05 H new ATOM 0 HG2 LYS A 87 7.053 -19.674 22.154 1.00 19.40 H new ATOM 0 HG3 LYS A 87 7.339 -18.194 21.260 1.00 19.40 H new ATOM 0 HD2 LYS A 87 6.487 -17.271 23.229 1.00 19.85 H new ATOM 0 HD3 LYS A 87 4.984 -17.472 22.349 1.00 19.85 H new ATOM 0 HE2 LYS A 87 4.345 -18.638 24.243 1.00 20.86 H new ATOM 0 HE3 LYS A 87 5.172 -19.967 23.455 1.00 20.86 H new ATOM 0 HZ1 LYS A 87 5.957 -19.671 25.726 1.00 21.65 H new ATOM 0 HZ2 LYS A 87 7.216 -19.357 24.630 1.00 21.65 H new ATOM 0 HZ3 LYS A 87 6.415 -18.070 25.394 1.00 21.65 H new TER 1401 LYS A 87