USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 605 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 Single : A 1 LEU N :NH3+ -162:sc= -0.127 (180deg=-0.696) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0855 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00257 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.257 (180deg=-0.379) USER MOD Single : A 13 GLN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -119:sc= 0.177 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.905 K(o=-0.91,f=-5.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -20.9! C(o=-21!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 149:sc= -1.52! USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= -2.88! (180deg=-4.14!) USER MOD Single : A 46 TYR OH : rot -15:sc= -3.12! USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= -2.17 (180deg=-5.21!) USER MOD Single : A 49 GLN : amide:sc= -5.01 K(o=-5,f=-10!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.989 K(o=-0.99,f=-2.8!) USER MOD Single : A 61 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -7.625 -22.468 5.179 1.00 0.00 N ATOM 2 CA LEU A 1 -7.978 -21.648 6.366 1.00 0.00 C ATOM 3 C LEU A 1 -9.352 -21.003 6.203 1.00 0.00 C ATOM 4 O LEU A 1 -10.274 -21.283 6.969 1.00 0.00 O ATOM 5 CB LEU A 1 -6.908 -20.570 6.550 1.00 0.00 C ATOM 6 CG LEU A 1 -5.485 -21.096 6.737 1.00 0.00 C ATOM 7 CD1 LEU A 1 -4.471 -19.981 6.528 1.00 0.00 C ATOM 8 CD2 LEU A 1 -5.324 -21.713 8.119 1.00 0.00 C ATOM 0 H1 LEU A 1 -6.857 -23.124 5.426 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.458 -23.009 4.871 1.00 0.00 H new ATOM 0 H3 LEU A 1 -7.312 -21.845 4.407 1.00 0.00 H new ATOM 0 HA LEU A 1 -8.019 -22.291 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -6.924 -19.911 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.171 -19.962 7.416 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.302 -21.869 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -3.464 -20.375 6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -4.571 -19.583 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -4.651 -19.185 7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -4.305 -22.083 8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -5.526 -20.959 8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -6.025 -22.540 8.232 1.00 0.00 H new ATOM 22 N LYS A 2 -9.479 -20.141 5.202 1.00 0.00 N ATOM 23 CA LYS A 2 -10.739 -19.455 4.938 1.00 0.00 C ATOM 24 C LYS A 2 -11.793 -20.430 4.424 1.00 0.00 C ATOM 25 O LYS A 2 -11.603 -21.081 3.396 1.00 0.00 O ATOM 26 CB LYS A 2 -10.530 -18.331 3.923 1.00 0.00 C ATOM 27 CG LYS A 2 -9.392 -17.390 4.283 1.00 0.00 C ATOM 28 CD LYS A 2 -9.722 -16.559 5.512 1.00 0.00 C ATOM 29 CE LYS A 2 -9.145 -17.178 6.775 1.00 0.00 C ATOM 30 NZ LYS A 2 -8.637 -16.144 7.718 1.00 0.00 N ATOM 0 H LYS A 2 -8.725 -19.900 4.559 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.093 -19.027 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.333 -18.769 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.452 -17.756 3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.486 -17.967 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.185 -16.729 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.328 -15.550 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.804 -16.468 5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.911 -17.775 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.334 -17.856 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.252 -16.607 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.888 -15.590 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.416 -15.512 7.992 1.00 0.00 H new ATOM 44 N LYS A 3 -12.904 -20.528 5.147 1.00 0.00 N ATOM 45 CA LYS A 3 -13.989 -21.423 4.764 1.00 0.00 C ATOM 46 C LYS A 3 -15.313 -20.669 4.672 1.00 0.00 C ATOM 47 O LYS A 3 -16.073 -20.843 3.721 1.00 0.00 O ATOM 48 CB LYS A 3 -14.113 -22.569 5.770 1.00 0.00 C ATOM 49 CG LYS A 3 -13.060 -23.651 5.591 1.00 0.00 C ATOM 50 CD LYS A 3 -12.626 -24.234 6.927 1.00 0.00 C ATOM 51 CE LYS A 3 -13.262 -25.593 7.176 1.00 0.00 C ATOM 52 NZ LYS A 3 -14.746 -25.505 7.259 1.00 0.00 N ATOM 0 H LYS A 3 -13.076 -19.998 6.001 1.00 0.00 H new ATOM 0 HA LYS A 3 -13.756 -21.833 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.039 -22.165 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.102 -23.017 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.457 -24.445 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.194 -23.235 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.540 -24.330 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.901 -23.550 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.983 -26.277 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.871 -26.012 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.136 -26.439 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.013 -24.821 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.127 -25.193 6.343 1.00 0.00 H new ATOM 66 N THR A 4 -15.578 -19.830 5.669 1.00 0.00 N ATOM 67 CA THR A 4 -16.809 -19.048 5.701 1.00 0.00 C ATOM 68 C THR A 4 -16.646 -17.743 4.930 1.00 0.00 C ATOM 69 O THR A 4 -17.304 -17.525 3.914 1.00 0.00 O ATOM 70 CB THR A 4 -17.212 -18.756 7.148 1.00 0.00 C ATOM 71 OG1 THR A 4 -16.069 -18.685 7.981 1.00 0.00 O ATOM 72 CG2 THR A 4 -18.144 -19.795 7.732 1.00 0.00 C ATOM 0 H THR A 4 -14.958 -19.675 6.464 1.00 0.00 H new ATOM 0 HA THR A 4 -17.595 -19.632 5.223 1.00 0.00 H new ATOM 0 HB THR A 4 -17.737 -17.801 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.346 -18.496 8.902 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.390 -19.527 8.760 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.058 -19.838 7.140 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.657 -20.770 7.718 1.00 0.00 H new ATOM 80 N SER A 5 -15.765 -16.878 5.420 1.00 0.00 N ATOM 81 CA SER A 5 -15.516 -15.591 4.778 1.00 0.00 C ATOM 82 C SER A 5 -14.085 -15.127 5.025 1.00 0.00 C ATOM 83 O SER A 5 -13.537 -15.319 6.110 1.00 0.00 O ATOM 84 CB SER A 5 -16.502 -14.543 5.291 1.00 0.00 C ATOM 85 OG SER A 5 -17.841 -14.925 5.026 1.00 0.00 O ATOM 0 H SER A 5 -15.211 -17.044 6.260 1.00 0.00 H new ATOM 0 HA SER A 5 -15.656 -15.715 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.366 -14.406 6.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.295 -13.583 4.818 1.00 0.00 H new ATOM 0 HG SER A 5 -18.451 -14.237 5.366 1.00 0.00 H new ATOM 91 N SER A 6 -13.484 -14.515 4.009 1.00 0.00 N ATOM 92 CA SER A 6 -12.115 -14.023 4.117 1.00 0.00 C ATOM 93 C SER A 6 -12.087 -12.499 4.191 1.00 0.00 C ATOM 94 O SER A 6 -11.303 -11.919 4.943 1.00 0.00 O ATOM 95 CB SER A 6 -11.286 -14.502 2.925 1.00 0.00 C ATOM 96 OG SER A 6 -12.043 -14.467 1.727 1.00 0.00 O ATOM 0 H SER A 6 -13.923 -14.348 3.103 1.00 0.00 H new ATOM 0 HA SER A 6 -11.684 -14.420 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.402 -13.874 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.935 -15.518 3.107 1.00 0.00 H new ATOM 0 HG SER A 6 -11.489 -14.777 0.981 1.00 0.00 H new ATOM 102 N SER A 7 -12.947 -11.857 3.406 1.00 0.00 N ATOM 103 CA SER A 7 -13.020 -10.400 3.382 1.00 0.00 C ATOM 104 C SER A 7 -11.714 -9.798 2.873 1.00 0.00 C ATOM 105 O SER A 7 -10.638 -10.101 3.384 1.00 0.00 O ATOM 106 CB SER A 7 -13.334 -9.859 4.778 1.00 0.00 C ATOM 107 OG SER A 7 -13.661 -8.481 4.730 1.00 0.00 O ATOM 0 H SER A 7 -13.603 -12.322 2.778 1.00 0.00 H new ATOM 0 HA SER A 7 -13.822 -10.114 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.164 -10.418 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.475 -10.009 5.431 1.00 0.00 H new ATOM 0 HG SER A 7 -13.859 -8.160 5.635 1.00 0.00 H new ATOM 113 N GLY A 8 -11.819 -8.943 1.860 1.00 0.00 N ATOM 114 CA GLY A 8 -10.637 -8.313 1.297 1.00 0.00 C ATOM 115 C GLY A 8 -10.143 -7.151 2.136 1.00 0.00 C ATOM 116 O GLY A 8 -10.643 -6.915 3.236 1.00 0.00 O ATOM 0 H GLY A 8 -12.699 -8.675 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.843 -9.054 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.862 -7.960 0.290 1.00 0.00 H new ATOM 120 N LEU A 9 -9.161 -6.421 1.616 1.00 0.00 N ATOM 121 CA LEU A 9 -8.601 -5.277 2.318 1.00 0.00 C ATOM 122 C LEU A 9 -8.255 -4.181 1.331 1.00 0.00 C ATOM 123 O LEU A 9 -7.761 -4.452 0.238 1.00 0.00 O ATOM 124 CB LEU A 9 -7.353 -5.686 3.106 1.00 0.00 C ATOM 125 CG LEU A 9 -7.613 -6.251 4.505 1.00 0.00 C ATOM 126 CD1 LEU A 9 -8.539 -5.336 5.292 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.194 -7.657 4.417 1.00 0.00 C ATOM 0 H LEU A 9 -8.737 -6.605 0.707 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.346 -4.903 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.808 -6.432 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.702 -4.816 3.199 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.661 -6.307 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.710 -5.757 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.081 -4.352 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.490 -5.243 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.372 -8.041 5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.135 -7.628 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.491 -8.309 3.898 1.00 0.00 H new ATOM 139 N TYR A 10 -8.505 -2.942 1.722 1.00 0.00 N ATOM 140 CA TYR A 10 -8.206 -1.814 0.864 1.00 0.00 C ATOM 141 C TYR A 10 -6.919 -1.148 1.313 1.00 0.00 C ATOM 142 O TYR A 10 -6.882 -0.461 2.334 1.00 0.00 O ATOM 143 CB TYR A 10 -9.366 -0.820 0.872 1.00 0.00 C ATOM 144 CG TYR A 10 -10.706 -1.468 0.603 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.037 -1.915 -0.666 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.632 -1.639 1.619 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.256 -2.512 -0.920 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.857 -2.235 1.376 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.163 -2.670 0.105 1.00 0.00 C ATOM 150 OH TYR A 10 -14.379 -3.264 -0.142 1.00 0.00 O ATOM 0 H TYR A 10 -8.912 -2.695 2.624 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.072 -2.169 -0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.400 -0.318 1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.183 -0.052 0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.328 -1.794 -1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.394 -1.302 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.497 -2.853 -1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.569 -2.359 2.178 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.900 -3.299 0.687 1.00 0.00 H new ATOM 160 N LYS A 11 -5.862 -1.357 0.541 1.00 0.00 N ATOM 161 CA LYS A 11 -4.562 -0.774 0.856 1.00 0.00 C ATOM 162 C LYS A 11 -4.028 0.022 -0.328 1.00 0.00 C ATOM 163 O LYS A 11 -4.367 -0.263 -1.477 1.00 0.00 O ATOM 164 CB LYS A 11 -3.569 -1.873 1.239 1.00 0.00 C ATOM 165 CG LYS A 11 -4.139 -2.894 2.209 1.00 0.00 C ATOM 166 CD LYS A 11 -3.238 -4.112 2.329 1.00 0.00 C ATOM 167 CE LYS A 11 -4.044 -5.384 2.546 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.453 -6.545 1.825 1.00 0.00 N ATOM 0 H LYS A 11 -5.877 -1.924 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.686 -0.097 1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.241 -2.386 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.686 -1.415 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.265 -2.435 3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.129 -3.204 1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.637 -4.211 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.546 -3.973 3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.093 -5.605 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.068 -5.228 2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.154 -7.311 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.179 -6.254 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.613 -6.881 2.338 1.00 0.00 H new ATOM 182 N VAL A 12 -3.191 1.019 -0.052 1.00 0.00 N ATOM 183 CA VAL A 12 -2.623 1.837 -1.117 1.00 0.00 C ATOM 184 C VAL A 12 -1.156 1.475 -1.333 1.00 0.00 C ATOM 185 O VAL A 12 -0.420 1.283 -0.376 1.00 0.00 O ATOM 186 CB VAL A 12 -2.743 3.357 -0.827 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.106 4.114 -2.089 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.777 3.657 0.251 1.00 0.00 C ATOM 0 H VAL A 12 -2.894 1.277 0.889 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.198 1.626 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.768 3.685 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.185 5.178 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.333 3.958 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.061 3.751 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.825 4.733 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.754 3.296 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.493 3.157 1.177 1.00 0.00 H new ATOM 198 N GLN A 13 -0.740 1.361 -2.590 1.00 0.00 N ATOM 199 CA GLN A 13 0.642 1.002 -2.910 1.00 0.00 C ATOM 200 C GLN A 13 1.242 1.971 -3.921 1.00 0.00 C ATOM 201 O GLN A 13 0.600 2.331 -4.906 1.00 0.00 O ATOM 202 CB GLN A 13 0.705 -0.427 -3.458 1.00 0.00 C ATOM 203 CG GLN A 13 2.108 -1.010 -3.477 1.00 0.00 C ATOM 204 CD GLN A 13 2.374 -1.848 -4.711 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.203 -3.066 -4.697 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.795 -1.197 -5.789 1.00 0.00 N ATOM 0 H GLN A 13 -1.336 1.511 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 13 1.225 1.061 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.063 -1.068 -2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.303 -0.437 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.835 -0.199 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.255 -1.623 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.923 -0.186 -5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.990 -1.708 -6.650 1.00 0.00 H new ATOM 215 N ILE A 14 2.471 2.410 -3.662 1.00 0.00 N ATOM 216 CA ILE A 14 3.134 3.362 -4.547 1.00 0.00 C ATOM 217 C ILE A 14 4.236 2.729 -5.395 1.00 0.00 C ATOM 218 O ILE A 14 4.780 3.392 -6.279 1.00 0.00 O ATOM 219 CB ILE A 14 3.730 4.544 -3.762 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.661 4.028 -2.658 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.618 5.417 -3.197 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.173 4.299 -1.253 1.00 0.00 C ATOM 0 H ILE A 14 3.024 2.124 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 14 2.353 3.719 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 14 4.323 5.161 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.792 2.953 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.642 4.486 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.054 6.249 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.008 5.804 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.994 4.824 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.891 3.901 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.070 5.374 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.206 3.818 -1.104 1.00 0.00 H new ATOM 234 N GLY A 15 4.562 1.454 -5.164 1.00 0.00 N ATOM 235 CA GLY A 15 5.595 0.834 -5.984 1.00 0.00 C ATOM 236 C GLY A 15 6.208 -0.422 -5.398 1.00 0.00 C ATOM 237 O GLY A 15 5.963 -0.781 -4.246 1.00 0.00 O ATOM 0 H GLY A 15 4.146 0.857 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.169 0.592 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.388 1.562 -6.155 1.00 0.00 H new ATOM 241 N ALA A 16 7.047 -1.068 -6.212 1.00 0.00 N ATOM 242 CA ALA A 16 7.765 -2.277 -5.820 1.00 0.00 C ATOM 243 C ALA A 16 9.085 -2.358 -6.589 1.00 0.00 C ATOM 244 O ALA A 16 9.124 -2.073 -7.788 1.00 0.00 O ATOM 245 CB ALA A 16 6.914 -3.521 -6.056 1.00 0.00 C ATOM 0 H ALA A 16 7.246 -0.763 -7.165 1.00 0.00 H new ATOM 0 HA ALA A 16 7.980 -2.231 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.473 -4.407 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.999 -3.453 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.661 -3.593 -7.114 1.00 0.00 H new ATOM 251 N PHE A 17 10.161 -2.734 -5.907 1.00 0.00 N ATOM 252 CA PHE A 17 11.470 -2.834 -6.547 1.00 0.00 C ATOM 253 C PHE A 17 12.288 -3.968 -5.945 1.00 0.00 C ATOM 254 O PHE A 17 12.150 -4.286 -4.766 1.00 0.00 O ATOM 255 CB PHE A 17 12.236 -1.515 -6.412 1.00 0.00 C ATOM 256 CG PHE A 17 11.369 -0.295 -6.530 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.729 0.225 -5.417 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.195 0.333 -7.754 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.932 1.349 -5.522 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.398 1.457 -7.864 1.00 0.00 C ATOM 261 CZ PHE A 17 9.767 1.965 -6.748 1.00 0.00 C ATOM 0 H PHE A 17 10.155 -2.974 -4.916 1.00 0.00 H new ATOM 0 HA PHE A 17 11.308 -3.046 -7.604 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.743 -1.497 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.010 -1.475 -7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.854 -0.253 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.688 -0.060 -8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.439 1.746 -4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.270 1.937 -8.823 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.144 2.843 -6.832 1.00 0.00 H new ATOM 271 N LYS A 18 13.145 -4.570 -6.760 1.00 0.00 N ATOM 272 CA LYS A 18 13.990 -5.671 -6.312 1.00 0.00 C ATOM 273 C LYS A 18 14.903 -5.254 -5.158 1.00 0.00 C ATOM 274 O LYS A 18 15.488 -6.104 -4.490 1.00 0.00 O ATOM 275 CB LYS A 18 14.834 -6.195 -7.474 1.00 0.00 C ATOM 276 CG LYS A 18 15.653 -7.427 -7.125 1.00 0.00 C ATOM 277 CD LYS A 18 15.697 -8.415 -8.280 1.00 0.00 C ATOM 278 CE LYS A 18 16.226 -9.769 -7.835 1.00 0.00 C ATOM 279 NZ LYS A 18 15.837 -10.856 -8.775 1.00 0.00 N ATOM 0 H LYS A 18 13.274 -4.313 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 18 13.332 -6.462 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.177 -6.431 -8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.506 -5.405 -7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.668 -7.128 -6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.226 -7.912 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.697 -8.533 -8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.329 -8.019 -9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.313 -9.727 -7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.846 -9.997 -6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.218 -11.762 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.800 -10.914 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.221 -10.652 -9.720 1.00 0.00 H new ATOM 293 N VAL A 19 15.033 -3.947 -4.932 1.00 0.00 N ATOM 294 CA VAL A 19 15.890 -3.448 -3.861 1.00 0.00 C ATOM 295 C VAL A 19 15.082 -2.897 -2.691 1.00 0.00 C ATOM 296 O VAL A 19 14.171 -2.088 -2.872 1.00 0.00 O ATOM 297 CB VAL A 19 16.837 -2.347 -4.374 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.864 -1.988 -3.312 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.520 -2.785 -5.660 1.00 0.00 C ATOM 0 H VAL A 19 14.560 -3.222 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 19 16.473 -4.301 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 19 16.245 -1.457 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.524 -1.209 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.353 -1.627 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.452 -2.871 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.185 -1.994 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.099 -3.690 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.767 -2.986 -6.422 1.00 0.00 H new ATOM 309 N LYS A 20 15.431 -3.344 -1.489 1.00 0.00 N ATOM 310 CA LYS A 20 14.760 -2.913 -0.273 1.00 0.00 C ATOM 311 C LYS A 20 15.132 -1.478 0.064 1.00 0.00 C ATOM 312 O LYS A 20 14.277 -0.690 0.464 1.00 0.00 O ATOM 313 CB LYS A 20 15.134 -3.832 0.891 1.00 0.00 C ATOM 314 CG LYS A 20 14.296 -3.606 2.140 1.00 0.00 C ATOM 315 CD LYS A 20 15.008 -2.702 3.134 1.00 0.00 C ATOM 316 CE LYS A 20 14.031 -2.056 4.102 1.00 0.00 C ATOM 317 NZ LYS A 20 14.523 -2.105 5.506 1.00 0.00 N ATOM 0 H LYS A 20 16.185 -4.013 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 20 13.684 -2.966 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.025 -4.869 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.185 -3.683 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.340 -3.161 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.077 -4.564 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.744 -3.282 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.554 -1.927 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.866 -1.018 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.068 -2.563 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.855 -2.648 6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.456 -2.564 5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.603 -1.138 5.880 1.00 0.00 H new ATOM 331 N ALA A 21 16.406 -1.129 -0.114 1.00 0.00 N ATOM 332 CA ALA A 21 16.861 0.229 0.159 1.00 0.00 C ATOM 333 C ALA A 21 16.001 1.223 -0.604 1.00 0.00 C ATOM 334 O ALA A 21 15.708 2.318 -0.122 1.00 0.00 O ATOM 335 CB ALA A 21 18.326 0.386 -0.217 1.00 0.00 C ATOM 0 H ALA A 21 17.134 -1.763 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 21 16.764 0.427 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.648 1.406 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.928 -0.312 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.453 0.177 -1.279 1.00 0.00 H new ATOM 341 N ASN A 22 15.570 0.810 -1.791 1.00 0.00 N ATOM 342 CA ASN A 22 14.712 1.637 -2.619 1.00 0.00 C ATOM 343 C ASN A 22 13.302 1.623 -2.049 1.00 0.00 C ATOM 344 O ASN A 22 12.576 2.615 -2.130 1.00 0.00 O ATOM 345 CB ASN A 22 14.705 1.129 -4.062 1.00 0.00 C ATOM 346 CG ASN A 22 15.963 1.511 -4.816 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.726 0.649 -5.253 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.186 2.810 -4.972 1.00 0.00 N ATOM 0 H ASN A 22 15.804 -0.095 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 22 15.093 2.658 -2.621 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.600 0.044 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.836 1.533 -4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.017 3.129 -5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.527 3.490 -4.593 1.00 0.00 H new ATOM 355 N ALA A 23 12.926 0.490 -1.455 1.00 0.00 N ATOM 356 CA ALA A 23 11.607 0.353 -0.852 1.00 0.00 C ATOM 357 C ALA A 23 11.516 1.143 0.455 1.00 0.00 C ATOM 358 O ALA A 23 10.424 1.465 0.923 1.00 0.00 O ATOM 359 CB ALA A 23 11.288 -1.114 -0.607 1.00 0.00 C ATOM 0 H ALA A 23 13.515 -0.340 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 23 10.873 0.762 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.299 -1.201 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.303 -1.653 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.032 -1.541 0.065 1.00 0.00 H new ATOM 365 N ASP A 24 12.674 1.451 1.037 1.00 0.00 N ATOM 366 CA ASP A 24 12.733 2.200 2.288 1.00 0.00 C ATOM 367 C ASP A 24 12.633 3.697 2.024 1.00 0.00 C ATOM 368 O ASP A 24 11.977 4.426 2.770 1.00 0.00 O ATOM 369 CB ASP A 24 14.032 1.888 3.033 1.00 0.00 C ATOM 370 CG ASP A 24 13.833 1.816 4.535 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.166 2.714 5.088 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.346 0.861 5.157 1.00 0.00 O ATOM 0 H ASP A 24 13.586 1.192 0.660 1.00 0.00 H new ATOM 0 HA ASP A 24 11.888 1.898 2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.434 0.939 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.773 2.654 2.803 1.00 0.00 H new ATOM 377 N SER A 25 13.269 4.149 0.948 1.00 0.00 N ATOM 378 CA SER A 25 13.229 5.558 0.581 1.00 0.00 C ATOM 379 C SER A 25 11.814 5.940 0.171 1.00 0.00 C ATOM 380 O SER A 25 11.327 7.027 0.487 1.00 0.00 O ATOM 381 CB SER A 25 14.204 5.841 -0.563 1.00 0.00 C ATOM 382 OG SER A 25 14.778 7.131 -0.437 1.00 0.00 O ATOM 0 H SER A 25 13.816 3.562 0.318 1.00 0.00 H new ATOM 0 HA SER A 25 13.527 6.156 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.992 5.088 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.683 5.763 -1.517 1.00 0.00 H new ATOM 0 HG SER A 25 15.399 7.287 -1.179 1.00 0.00 H new ATOM 388 N LEU A 26 11.155 5.019 -0.525 1.00 0.00 N ATOM 389 CA LEU A 26 9.789 5.223 -0.979 1.00 0.00 C ATOM 390 C LEU A 26 8.846 5.321 0.218 1.00 0.00 C ATOM 391 O LEU A 26 8.064 6.266 0.336 1.00 0.00 O ATOM 392 CB LEU A 26 9.377 4.070 -1.896 1.00 0.00 C ATOM 393 CG LEU A 26 7.987 4.181 -2.520 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.861 5.448 -3.349 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.692 2.960 -3.379 1.00 0.00 C ATOM 0 H LEU A 26 11.552 4.117 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 26 9.730 6.157 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.110 3.990 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.426 3.142 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 26 7.257 4.228 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.862 5.502 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.028 6.317 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.602 5.435 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.698 3.054 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.433 2.887 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.733 2.062 -2.762 1.00 0.00 H new ATOM 407 N ALA A 27 8.937 4.343 1.116 1.00 0.00 N ATOM 408 CA ALA A 27 8.104 4.331 2.313 1.00 0.00 C ATOM 409 C ALA A 27 8.339 5.589 3.142 1.00 0.00 C ATOM 410 O ALA A 27 7.471 6.020 3.901 1.00 0.00 O ATOM 411 CB ALA A 27 8.388 3.087 3.142 1.00 0.00 C ATOM 0 H ALA A 27 9.577 3.552 1.037 1.00 0.00 H new ATOM 0 HA ALA A 27 7.058 4.313 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.759 3.092 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.172 2.198 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.437 3.079 3.439 1.00 0.00 H new ATOM 417 N SER A 28 9.521 6.180 2.980 1.00 0.00 N ATOM 418 CA SER A 28 9.877 7.394 3.702 1.00 0.00 C ATOM 419 C SER A 28 9.075 8.580 3.175 1.00 0.00 C ATOM 420 O SER A 28 8.585 9.407 3.949 1.00 0.00 O ATOM 421 CB SER A 28 11.374 7.675 3.572 1.00 0.00 C ATOM 422 OG SER A 28 11.810 8.598 4.556 1.00 0.00 O ATOM 0 H SER A 28 10.248 5.835 2.353 1.00 0.00 H new ATOM 0 HA SER A 28 9.639 7.249 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.931 6.744 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.588 8.070 2.579 1.00 0.00 H new ATOM 0 HG SER A 28 12.771 8.759 4.451 1.00 0.00 H new ATOM 428 N ASN A 29 8.936 8.653 1.855 1.00 0.00 N ATOM 429 CA ASN A 29 8.185 9.735 1.228 1.00 0.00 C ATOM 430 C ASN A 29 6.746 9.742 1.727 1.00 0.00 C ATOM 431 O ASN A 29 6.209 10.787 2.093 1.00 0.00 O ATOM 432 CB ASN A 29 8.231 9.600 -0.304 1.00 0.00 C ATOM 433 CG ASN A 29 7.089 8.784 -0.884 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.916 9.099 -0.691 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.430 7.732 -1.612 1.00 0.00 N ATOM 0 H ASN A 29 9.332 7.978 1.201 1.00 0.00 H new ATOM 0 HA ASN A 29 8.645 10.684 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.215 10.596 -0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.176 9.139 -0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.708 7.150 -2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.415 7.504 -1.749 1.00 0.00 H new ATOM 442 N ALA A 30 6.132 8.565 1.740 1.00 0.00 N ATOM 443 CA ALA A 30 4.758 8.432 2.196 1.00 0.00 C ATOM 444 C ALA A 30 4.619 8.924 3.628 1.00 0.00 C ATOM 445 O ALA A 30 3.662 9.615 3.972 1.00 0.00 O ATOM 446 CB ALA A 30 4.307 6.987 2.087 1.00 0.00 C ATOM 0 H ALA A 30 6.565 7.691 1.440 1.00 0.00 H new ATOM 0 HA ALA A 30 4.121 9.046 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.276 6.901 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.371 6.663 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.949 6.358 2.703 1.00 0.00 H new ATOM 452 N GLU A 31 5.587 8.558 4.461 1.00 0.00 N ATOM 453 CA GLU A 31 5.578 8.962 5.860 1.00 0.00 C ATOM 454 C GLU A 31 5.482 10.479 5.972 1.00 0.00 C ATOM 455 O GLU A 31 4.810 11.009 6.858 1.00 0.00 O ATOM 456 CB GLU A 31 6.833 8.457 6.573 1.00 0.00 C ATOM 457 CG GLU A 31 6.833 8.724 8.069 1.00 0.00 C ATOM 458 CD GLU A 31 8.232 8.796 8.649 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.159 8.225 8.036 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.402 9.425 9.714 1.00 0.00 O ATOM 0 H GLU A 31 6.386 7.984 4.192 1.00 0.00 H new ATOM 0 HA GLU A 31 4.706 8.519 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.930 7.385 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.708 8.930 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.313 9.661 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.274 7.937 8.575 1.00 0.00 H new ATOM 467 N ALA A 32 6.153 11.169 5.056 1.00 0.00 N ATOM 468 CA ALA A 32 6.143 12.627 5.031 1.00 0.00 C ATOM 469 C ALA A 32 4.713 13.145 5.039 1.00 0.00 C ATOM 470 O ALA A 32 4.346 13.971 5.873 1.00 0.00 O ATOM 471 CB ALA A 32 6.890 13.142 3.808 1.00 0.00 C ATOM 0 H ALA A 32 6.712 10.740 4.319 1.00 0.00 H new ATOM 0 HA ALA A 32 6.649 12.994 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.874 14.232 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.923 12.795 3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.409 12.768 2.904 1.00 0.00 H new ATOM 477 N LYS A 33 3.898 12.630 4.122 1.00 0.00 N ATOM 478 CA LYS A 33 2.501 13.027 4.056 1.00 0.00 C ATOM 479 C LYS A 33 1.800 12.614 5.342 1.00 0.00 C ATOM 480 O LYS A 33 0.845 13.253 5.780 1.00 0.00 O ATOM 481 CB LYS A 33 1.811 12.376 2.859 1.00 0.00 C ATOM 482 CG LYS A 33 2.047 13.104 1.548 1.00 0.00 C ATOM 483 CD LYS A 33 1.312 14.435 1.508 1.00 0.00 C ATOM 484 CE LYS A 33 2.260 15.604 1.724 1.00 0.00 C ATOM 485 NZ LYS A 33 1.541 16.823 2.187 1.00 0.00 N ATOM 0 H LYS A 33 4.180 11.944 3.422 1.00 0.00 H new ATOM 0 HA LYS A 33 2.447 14.109 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.163 11.349 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.739 12.329 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.115 13.273 1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.715 12.479 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.810 14.546 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.538 14.447 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.016 15.327 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.784 15.823 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.222 17.597 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.837 17.102 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.061 16.622 3.088 1.00 0.00 H new ATOM 499 N GLY A 34 2.305 11.541 5.946 1.00 0.00 N ATOM 500 CA GLY A 34 1.750 11.049 7.184 1.00 0.00 C ATOM 501 C GLY A 34 1.009 9.740 7.008 1.00 0.00 C ATOM 502 O GLY A 34 0.026 9.475 7.700 1.00 0.00 O ATOM 0 H GLY A 34 3.096 11.003 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.552 10.914 7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.070 11.795 7.595 1.00 0.00 H new ATOM 506 N PHE A 35 1.488 8.914 6.083 1.00 0.00 N ATOM 507 CA PHE A 35 0.871 7.624 5.828 1.00 0.00 C ATOM 508 C PHE A 35 1.671 6.505 6.476 1.00 0.00 C ATOM 509 O PHE A 35 2.853 6.666 6.779 1.00 0.00 O ATOM 510 CB PHE A 35 0.764 7.381 4.326 1.00 0.00 C ATOM 511 CG PHE A 35 0.222 8.553 3.566 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.732 9.387 4.132 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.670 8.824 2.288 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.225 10.469 3.431 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.181 9.906 1.582 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.769 10.729 2.154 1.00 0.00 C ATOM 0 H PHE A 35 2.300 9.118 5.500 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.129 7.632 6.263 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.750 7.130 3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.123 6.517 4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.092 9.188 5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.411 8.182 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.967 11.112 3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.541 10.108 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.155 11.574 1.603 1.00 0.00 H new ATOM 526 N ASP A 36 1.024 5.366 6.669 1.00 0.00 N ATOM 527 CA ASP A 36 1.680 4.214 7.262 1.00 0.00 C ATOM 528 C ASP A 36 2.330 3.374 6.172 1.00 0.00 C ATOM 529 O ASP A 36 1.673 2.539 5.548 1.00 0.00 O ATOM 530 CB ASP A 36 0.675 3.370 8.049 1.00 0.00 C ATOM 531 CG ASP A 36 1.352 2.376 8.973 1.00 0.00 C ATOM 532 OD1 ASP A 36 2.352 2.752 9.618 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.879 1.222 9.052 1.00 0.00 O ATOM 0 H ASP A 36 0.045 5.216 6.423 1.00 0.00 H new ATOM 0 HA ASP A 36 2.449 4.564 7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.033 4.028 8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.031 2.834 7.352 1.00 0.00 H new ATOM 538 N SER A 37 3.614 3.610 5.926 1.00 0.00 N ATOM 539 CA SER A 37 4.329 2.884 4.888 1.00 0.00 C ATOM 540 C SER A 37 4.761 1.515 5.385 1.00 0.00 C ATOM 541 O SER A 37 4.858 1.276 6.589 1.00 0.00 O ATOM 542 CB SER A 37 5.547 3.684 4.422 1.00 0.00 C ATOM 543 OG SER A 37 5.217 5.049 4.229 1.00 0.00 O ATOM 0 H SER A 37 4.177 4.295 6.430 1.00 0.00 H new ATOM 0 HA SER A 37 3.654 2.745 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.345 3.600 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.928 3.264 3.491 1.00 0.00 H new ATOM 0 HG SER A 37 6.002 5.605 4.418 1.00 0.00 H new ATOM 549 N ILE A 38 4.992 0.609 4.446 1.00 0.00 N ATOM 550 CA ILE A 38 5.385 -0.752 4.775 1.00 0.00 C ATOM 551 C ILE A 38 6.102 -1.407 3.597 1.00 0.00 C ATOM 552 O ILE A 38 5.716 -1.223 2.443 1.00 0.00 O ATOM 553 CB ILE A 38 4.142 -1.587 5.158 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.453 -3.088 5.131 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.987 -1.257 4.223 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.781 -3.864 6.244 1.00 0.00 C ATOM 0 H ILE A 38 4.913 0.794 3.446 1.00 0.00 H new ATOM 0 HA ILE A 38 6.069 -0.714 5.623 1.00 0.00 H new ATOM 0 HB ILE A 38 3.854 -1.330 6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.139 -3.499 4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.532 -3.229 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.115 -1.849 4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.746 -0.197 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.272 -1.488 3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.045 -4.918 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.114 -3.479 7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.700 -3.754 6.163 1.00 0.00 H new ATOM 568 N VAL A 39 7.148 -2.169 3.895 1.00 0.00 N ATOM 569 CA VAL A 39 7.915 -2.844 2.857 1.00 0.00 C ATOM 570 C VAL A 39 7.796 -4.360 2.978 1.00 0.00 C ATOM 571 O VAL A 39 8.293 -4.954 3.936 1.00 0.00 O ATOM 572 CB VAL A 39 9.403 -2.454 2.914 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.147 -3.006 1.707 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.555 -0.941 2.998 1.00 0.00 C ATOM 0 H VAL A 39 7.483 -2.334 4.844 1.00 0.00 H new ATOM 0 HA VAL A 39 7.498 -2.525 1.902 1.00 0.00 H new ATOM 0 HB VAL A 39 9.841 -2.891 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.197 -2.720 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.067 -4.093 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.711 -2.601 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.613 -0.683 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.102 -0.481 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.059 -0.575 3.897 1.00 0.00 H new ATOM 584 N LEU A 40 7.142 -4.986 2.003 1.00 0.00 N ATOM 585 CA LEU A 40 6.973 -6.437 2.008 1.00 0.00 C ATOM 586 C LEU A 40 7.905 -7.091 0.998 1.00 0.00 C ATOM 587 O LEU A 40 7.858 -6.791 -0.195 1.00 0.00 O ATOM 588 CB LEU A 40 5.516 -6.815 1.697 1.00 0.00 C ATOM 589 CG LEU A 40 5.324 -8.112 0.895 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.101 -9.265 1.525 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.845 -8.456 0.791 1.00 0.00 C ATOM 0 H LEU A 40 6.722 -4.514 1.202 1.00 0.00 H new ATOM 0 HA LEU A 40 7.225 -6.801 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.974 -6.907 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.057 -5.996 1.144 1.00 0.00 H new ATOM 0 HG LEU A 40 5.716 -7.953 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.948 -10.171 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.163 -9.020 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.748 -9.428 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.725 -9.377 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.432 -8.592 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.318 -7.646 0.288 1.00 0.00 H new ATOM 603 N LEU A 41 8.753 -7.982 1.485 1.00 0.00 N ATOM 604 CA LEU A 41 9.699 -8.680 0.631 1.00 0.00 C ATOM 605 C LEU A 41 9.059 -9.905 -0.022 1.00 0.00 C ATOM 606 O LEU A 41 8.787 -10.907 0.640 1.00 0.00 O ATOM 607 CB LEU A 41 10.938 -9.090 1.438 1.00 0.00 C ATOM 608 CG LEU A 41 11.701 -10.311 0.914 1.00 0.00 C ATOM 609 CD1 LEU A 41 12.006 -10.160 -0.568 1.00 0.00 C ATOM 610 CD2 LEU A 41 12.984 -10.518 1.706 1.00 0.00 C ATOM 0 H LEU A 41 8.805 -8.239 2.471 1.00 0.00 H new ATOM 0 HA LEU A 41 10.003 -7.999 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.624 -8.243 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.630 -9.291 2.464 1.00 0.00 H new ATOM 0 HG LEU A 41 11.070 -11.190 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.548 -11.038 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.073 -10.063 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.616 -9.270 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.513 -11.389 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.618 -9.636 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.741 -10.677 2.757 1.00 0.00 H new ATOM 622 N LYS A 42 8.856 -9.819 -1.330 1.00 0.00 N ATOM 623 CA LYS A 42 8.287 -10.913 -2.098 1.00 0.00 C ATOM 624 C LYS A 42 9.418 -11.750 -2.683 1.00 0.00 C ATOM 625 O LYS A 42 10.572 -11.332 -2.661 1.00 0.00 O ATOM 626 CB LYS A 42 7.357 -10.383 -3.202 1.00 0.00 C ATOM 627 CG LYS A 42 8.043 -10.155 -4.536 1.00 0.00 C ATOM 628 CD LYS A 42 7.896 -11.361 -5.449 1.00 0.00 C ATOM 629 CE LYS A 42 8.948 -11.386 -6.541 1.00 0.00 C ATOM 630 NZ LYS A 42 8.394 -10.942 -7.850 1.00 0.00 N ATOM 0 H LYS A 42 9.081 -8.993 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 42 7.682 -11.540 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.539 -11.090 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.914 -9.445 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.617 -9.276 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.100 -9.948 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.968 -12.273 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.905 -11.352 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.780 -10.740 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.347 -12.395 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.171 -10.632 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.889 -11.732 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.735 -10.152 -7.698 1.00 0.00 H new ATOM 644 N ASP A 43 9.088 -12.938 -3.174 1.00 0.00 N ATOM 645 CA ASP A 43 10.087 -13.841 -3.737 1.00 0.00 C ATOM 646 C ASP A 43 10.883 -13.212 -4.890 1.00 0.00 C ATOM 647 O ASP A 43 10.830 -13.695 -6.022 1.00 0.00 O ATOM 648 CB ASP A 43 9.414 -15.128 -4.218 1.00 0.00 C ATOM 649 CG ASP A 43 10.399 -16.268 -4.383 1.00 0.00 C ATOM 650 OD1 ASP A 43 11.600 -15.991 -4.594 1.00 0.00 O ATOM 651 OD2 ASP A 43 9.973 -17.438 -4.301 1.00 0.00 O ATOM 0 H ASP A 43 8.135 -13.300 -3.194 1.00 0.00 H new ATOM 0 HA ASP A 43 10.798 -14.060 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.642 -15.419 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.916 -14.941 -5.169 1.00 0.00 H new ATOM 656 N GLY A 44 11.649 -12.158 -4.596 1.00 0.00 N ATOM 657 CA GLY A 44 12.461 -11.525 -5.626 1.00 0.00 C ATOM 658 C GLY A 44 12.243 -10.024 -5.764 1.00 0.00 C ATOM 659 O GLY A 44 12.986 -9.359 -6.484 1.00 0.00 O ATOM 0 H GLY A 44 11.721 -11.735 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.513 -11.709 -5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.248 -12.001 -6.583 1.00 0.00 H new ATOM 663 N LEU A 45 11.230 -9.484 -5.091 1.00 0.00 N ATOM 664 CA LEU A 45 10.943 -8.047 -5.178 1.00 0.00 C ATOM 665 C LEU A 45 10.455 -7.471 -3.854 1.00 0.00 C ATOM 666 O LEU A 45 9.838 -8.161 -3.053 1.00 0.00 O ATOM 667 CB LEU A 45 9.876 -7.768 -6.243 1.00 0.00 C ATOM 668 CG LEU A 45 10.121 -8.397 -7.615 1.00 0.00 C ATOM 669 CD1 LEU A 45 8.994 -8.037 -8.570 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.461 -7.947 -8.177 1.00 0.00 C ATOM 0 H LEU A 45 10.599 -10.009 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 45 11.884 -7.566 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.916 -8.122 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.790 -6.689 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 45 10.145 -9.481 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.182 -8.492 -9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.049 -8.407 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.942 -6.954 -8.680 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.618 -8.405 -9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.467 -6.862 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.260 -8.252 -7.501 1.00 0.00 H new ATOM 682 N TYR A 46 10.707 -6.181 -3.661 1.00 0.00 N ATOM 683 CA TYR A 46 10.264 -5.472 -2.466 1.00 0.00 C ATOM 684 C TYR A 46 9.170 -4.477 -2.842 1.00 0.00 C ATOM 685 O TYR A 46 9.295 -3.764 -3.831 1.00 0.00 O ATOM 686 CB TYR A 46 11.431 -4.733 -1.805 1.00 0.00 C ATOM 687 CG TYR A 46 12.315 -5.627 -0.972 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.134 -6.570 -1.571 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.322 -5.534 0.414 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.940 -7.397 -0.815 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.128 -6.355 1.179 1.00 0.00 C ATOM 692 CZ TYR A 46 13.934 -7.286 0.560 1.00 0.00 C ATOM 693 OH TYR A 46 14.736 -8.109 1.317 1.00 0.00 O ATOM 0 H TYR A 46 11.221 -5.600 -4.324 1.00 0.00 H new ATOM 0 HA TYR A 46 9.873 -6.199 -1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.034 -4.258 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.036 -3.937 -1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.142 -6.660 -2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.687 -4.809 0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.572 -8.127 -1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.126 -6.268 2.255 1.00 0.00 H new ATOM 0 HH TYR A 46 15.052 -8.855 0.766 1.00 0.00 H new ATOM 703 N LYS A 47 8.099 -4.434 -2.062 1.00 0.00 N ATOM 704 CA LYS A 47 6.998 -3.519 -2.351 1.00 0.00 C ATOM 705 C LYS A 47 6.811 -2.509 -1.239 1.00 0.00 C ATOM 706 O LYS A 47 7.184 -2.753 -0.094 1.00 0.00 O ATOM 707 CB LYS A 47 5.697 -4.287 -2.575 1.00 0.00 C ATOM 708 CG LYS A 47 5.896 -5.629 -3.251 1.00 0.00 C ATOM 709 CD LYS A 47 6.051 -6.744 -2.232 1.00 0.00 C ATOM 710 CE LYS A 47 5.062 -7.862 -2.489 1.00 0.00 C ATOM 711 NZ LYS A 47 3.690 -7.512 -2.029 1.00 0.00 N ATOM 0 H LYS A 47 7.967 -5.014 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 47 7.255 -2.982 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.206 -4.442 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.026 -3.679 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.046 -5.842 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.780 -5.590 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.067 -7.137 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.902 -6.346 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.040 -8.088 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.396 -8.765 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.225 -8.360 -1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.747 -6.786 -1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.138 -7.145 -2.831 1.00 0.00 H new ATOM 725 N VAL A 48 6.228 -1.374 -1.591 1.00 0.00 N ATOM 726 CA VAL A 48 5.984 -0.313 -0.632 1.00 0.00 C ATOM 727 C VAL A 48 4.513 0.083 -0.620 1.00 0.00 C ATOM 728 O VAL A 48 4.006 0.674 -1.573 1.00 0.00 O ATOM 729 CB VAL A 48 6.861 0.912 -0.938 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.615 2.027 0.070 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.330 0.513 -0.953 1.00 0.00 C ATOM 0 H VAL A 48 5.914 -1.165 -2.539 1.00 0.00 H new ATOM 0 HA VAL A 48 6.247 -0.690 0.356 1.00 0.00 H new ATOM 0 HB VAL A 48 6.591 1.291 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.248 2.881 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.568 2.329 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.852 1.670 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.942 1.388 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.607 0.109 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.494 -0.244 -1.720 1.00 0.00 H new ATOM 741 N GLN A 49 3.835 -0.257 0.471 1.00 0.00 N ATOM 742 CA GLN A 49 2.419 0.049 0.623 1.00 0.00 C ATOM 743 C GLN A 49 2.202 1.126 1.682 1.00 0.00 C ATOM 744 O GLN A 49 2.879 1.145 2.709 1.00 0.00 O ATOM 745 CB GLN A 49 1.648 -1.216 1.001 1.00 0.00 C ATOM 746 CG GLN A 49 0.157 -1.128 0.727 1.00 0.00 C ATOM 747 CD GLN A 49 -0.556 -2.446 0.964 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.842 -2.814 2.103 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.845 -3.162 -0.117 1.00 0.00 N ATOM 0 H GLN A 49 4.246 -0.747 1.266 1.00 0.00 H new ATOM 0 HA GLN A 49 2.048 0.427 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.060 -2.061 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.802 -1.422 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.282 -0.361 1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.002 -0.813 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.588 -2.816 -1.042 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.324 -4.058 -0.022 1.00 0.00 H new ATOM 758 N ILE A 50 1.248 2.012 1.425 1.00 0.00 N ATOM 759 CA ILE A 50 0.932 3.082 2.353 1.00 0.00 C ATOM 760 C ILE A 50 -0.575 3.247 2.525 1.00 0.00 C ATOM 761 O ILE A 50 -1.312 3.468 1.567 1.00 0.00 O ATOM 762 CB ILE A 50 1.576 4.406 1.920 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.263 4.729 0.455 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.077 4.316 2.138 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.239 5.823 0.285 1.00 0.00 C ATOM 0 H ILE A 50 0.680 2.008 0.578 1.00 0.00 H new ATOM 0 HA ILE A 50 1.351 2.803 3.320 1.00 0.00 H new ATOM 0 HB ILE A 50 1.162 5.214 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.184 5.023 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.904 3.826 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.546 5.252 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.281 4.134 3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.483 3.497 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.067 5.999 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.696 5.524 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.604 6.739 0.750 1.00 0.00 H new ATOM 777 N GLY A 51 -1.008 3.135 3.773 1.00 0.00 N ATOM 778 CA GLY A 51 -2.411 3.271 4.112 1.00 0.00 C ATOM 779 C GLY A 51 -3.204 2.003 3.856 1.00 0.00 C ATOM 780 O GLY A 51 -3.508 1.673 2.710 1.00 0.00 O ATOM 0 H GLY A 51 -0.400 2.949 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.501 3.544 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.843 4.087 3.532 1.00 0.00 H new ATOM 784 N ALA A 52 -3.543 1.295 4.929 1.00 0.00 N ATOM 785 CA ALA A 52 -4.312 0.061 4.823 1.00 0.00 C ATOM 786 C ALA A 52 -5.520 0.105 5.753 1.00 0.00 C ATOM 787 O ALA A 52 -5.372 0.123 6.975 1.00 0.00 O ATOM 788 CB ALA A 52 -3.435 -1.139 5.146 1.00 0.00 C ATOM 0 H ALA A 52 -3.296 1.556 5.884 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.669 -0.038 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.023 -2.053 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.601 -1.179 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.051 -1.046 6.162 1.00 0.00 H new ATOM 794 N PHE A 53 -6.715 0.134 5.170 1.00 0.00 N ATOM 795 CA PHE A 53 -7.941 0.193 5.960 1.00 0.00 C ATOM 796 C PHE A 53 -8.961 -0.836 5.482 1.00 0.00 C ATOM 797 O PHE A 53 -8.766 -1.504 4.466 1.00 0.00 O ATOM 798 CB PHE A 53 -8.553 1.595 5.891 1.00 0.00 C ATOM 799 CG PHE A 53 -7.535 2.698 5.807 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.824 2.912 4.638 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.292 3.520 6.896 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.887 3.926 4.555 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.355 4.535 6.819 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.654 4.737 5.648 1.00 0.00 C ATOM 0 H PHE A 53 -6.860 0.118 4.161 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.679 -0.037 6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.210 1.652 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.175 1.754 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.003 2.280 3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.840 3.367 7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.339 4.083 3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.173 5.168 7.675 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.923 5.530 5.586 1.00 0.00 H new ATOM 814 N SER A 54 -10.057 -0.950 6.229 1.00 0.00 N ATOM 815 CA SER A 54 -11.122 -1.887 5.895 1.00 0.00 C ATOM 816 C SER A 54 -12.073 -1.292 4.859 1.00 0.00 C ATOM 817 O SER A 54 -12.849 -2.010 4.233 1.00 0.00 O ATOM 818 CB SER A 54 -11.899 -2.277 7.153 1.00 0.00 C ATOM 819 OG SER A 54 -12.273 -3.643 7.119 1.00 0.00 O ATOM 0 H SER A 54 -10.229 -0.402 7.072 1.00 0.00 H new ATOM 0 HA SER A 54 -10.663 -2.778 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.288 -2.086 8.035 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.790 -1.655 7.241 1.00 0.00 H new ATOM 0 HG SER A 54 -12.767 -3.867 7.935 1.00 0.00 H new ATOM 825 N SER A 55 -12.010 0.029 4.682 1.00 0.00 N ATOM 826 CA SER A 55 -12.871 0.713 3.721 1.00 0.00 C ATOM 827 C SER A 55 -12.055 1.288 2.563 1.00 0.00 C ATOM 828 O SER A 55 -11.062 1.984 2.774 1.00 0.00 O ATOM 829 CB SER A 55 -13.655 1.829 4.413 1.00 0.00 C ATOM 830 OG SER A 55 -15.038 1.521 4.469 1.00 0.00 O ATOM 0 H SER A 55 -11.374 0.643 5.190 1.00 0.00 H new ATOM 0 HA SER A 55 -13.571 -0.018 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.271 1.976 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.509 2.767 3.877 1.00 0.00 H new ATOM 0 HG SER A 55 -15.517 2.249 4.917 1.00 0.00 H new ATOM 836 N LYS A 56 -12.486 0.989 1.338 1.00 0.00 N ATOM 837 CA LYS A 56 -11.803 1.471 0.143 1.00 0.00 C ATOM 838 C LYS A 56 -11.689 2.992 0.147 1.00 0.00 C ATOM 839 O LYS A 56 -10.698 3.550 -0.323 1.00 0.00 O ATOM 840 CB LYS A 56 -12.541 1.007 -1.113 1.00 0.00 C ATOM 841 CG LYS A 56 -11.718 1.147 -2.381 1.00 0.00 C ATOM 842 CD LYS A 56 -12.023 2.450 -3.101 1.00 0.00 C ATOM 843 CE LYS A 56 -11.630 2.380 -4.568 1.00 0.00 C ATOM 844 NZ LYS A 56 -12.655 1.673 -5.384 1.00 0.00 N ATOM 0 H LYS A 56 -13.307 0.414 1.149 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.796 1.054 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.831 -0.036 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.460 1.583 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.657 1.106 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.923 0.307 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.087 2.672 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.488 3.268 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.491 3.389 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.673 1.867 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.350 1.647 -6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.770 0.701 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.562 2.176 -5.314 1.00 0.00 H new ATOM 858 N ASP A 57 -12.711 3.659 0.677 1.00 0.00 N ATOM 859 CA ASP A 57 -12.721 5.118 0.738 1.00 0.00 C ATOM 860 C ASP A 57 -11.441 5.648 1.377 1.00 0.00 C ATOM 861 O ASP A 57 -10.962 6.727 1.028 1.00 0.00 O ATOM 862 CB ASP A 57 -13.939 5.607 1.525 1.00 0.00 C ATOM 863 CG ASP A 57 -14.323 7.031 1.171 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.588 7.959 1.565 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.360 7.216 0.498 1.00 0.00 O ATOM 0 H ASP A 57 -13.541 3.214 1.069 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.778 5.498 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.784 4.947 1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.727 5.545 2.592 1.00 0.00 H new ATOM 870 N ASN A 58 -10.893 4.880 2.311 1.00 0.00 N ATOM 871 CA ASN A 58 -9.666 5.269 2.997 1.00 0.00 C ATOM 872 C ASN A 58 -8.474 5.189 2.049 1.00 0.00 C ATOM 873 O ASN A 58 -7.691 6.133 1.936 1.00 0.00 O ATOM 874 CB ASN A 58 -9.429 4.375 4.213 1.00 0.00 C ATOM 875 CG ASN A 58 -10.597 4.391 5.179 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.575 3.664 5.001 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.503 5.224 6.210 1.00 0.00 N ATOM 0 H ASN A 58 -11.278 3.984 2.611 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.775 6.300 3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.251 3.353 3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.528 4.703 4.731 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.259 5.279 6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.674 5.809 6.319 1.00 0.00 H new ATOM 884 N ALA A 59 -8.346 4.057 1.366 1.00 0.00 N ATOM 885 CA ALA A 59 -7.256 3.848 0.422 1.00 0.00 C ATOM 886 C ALA A 59 -7.281 4.896 -0.681 1.00 0.00 C ATOM 887 O ALA A 59 -6.240 5.403 -1.086 1.00 0.00 O ATOM 888 CB ALA A 59 -7.339 2.450 -0.169 1.00 0.00 C ATOM 0 H ALA A 59 -8.987 3.268 1.449 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.313 3.949 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.520 2.304 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.267 1.712 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.290 2.330 -0.688 1.00 0.00 H new ATOM 894 N ASP A 60 -8.474 5.216 -1.172 1.00 0.00 N ATOM 895 CA ASP A 60 -8.620 6.207 -2.232 1.00 0.00 C ATOM 896 C ASP A 60 -8.083 7.564 -1.786 1.00 0.00 C ATOM 897 O ASP A 60 -7.280 8.183 -2.485 1.00 0.00 O ATOM 898 CB ASP A 60 -10.089 6.338 -2.639 1.00 0.00 C ATOM 899 CG ASP A 60 -10.490 5.319 -3.688 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.807 4.279 -3.795 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.486 5.562 -4.402 1.00 0.00 O ATOM 0 H ASP A 60 -9.351 4.805 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.040 5.870 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.720 6.217 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.269 7.342 -3.024 1.00 0.00 H new ATOM 906 N THR A 61 -8.530 8.020 -0.620 1.00 0.00 N ATOM 907 CA THR A 61 -8.092 9.301 -0.081 1.00 0.00 C ATOM 908 C THR A 61 -6.578 9.326 0.104 1.00 0.00 C ATOM 909 O THR A 61 -5.930 10.347 -0.128 1.00 0.00 O ATOM 910 CB THR A 61 -8.785 9.583 1.253 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.151 9.215 1.195 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.717 11.036 1.669 1.00 0.00 C ATOM 0 H THR A 61 -9.196 7.520 -0.031 1.00 0.00 H new ATOM 0 HA THR A 61 -8.365 10.078 -0.795 1.00 0.00 H new ATOM 0 HB THR A 61 -8.246 8.987 1.990 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.251 8.284 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.228 11.166 2.623 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.674 11.337 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.200 11.654 0.912 1.00 0.00 H new ATOM 920 N LEU A 62 -6.019 8.189 0.507 1.00 0.00 N ATOM 921 CA LEU A 62 -4.581 8.064 0.712 1.00 0.00 C ATOM 922 C LEU A 62 -3.861 8.134 -0.607 1.00 0.00 C ATOM 923 O LEU A 62 -2.897 8.880 -0.782 1.00 0.00 O ATOM 924 CB LEU A 62 -4.256 6.705 1.317 1.00 0.00 C ATOM 925 CG LEU A 62 -3.033 6.676 2.230 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.874 7.410 1.575 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.360 7.289 3.583 1.00 0.00 C ATOM 0 H LEU A 62 -6.545 7.336 0.699 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.268 8.873 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.121 6.361 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.102 5.992 0.507 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.742 5.638 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.007 7.383 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.626 6.928 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.157 8.446 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.476 7.259 4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.674 8.324 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.165 6.724 4.053 1.00 0.00 H new ATOM 939 N ALA A 63 -4.328 7.305 -1.524 1.00 0.00 N ATOM 940 CA ALA A 63 -3.729 7.211 -2.825 1.00 0.00 C ATOM 941 C ALA A 63 -3.659 8.578 -3.498 1.00 0.00 C ATOM 942 O ALA A 63 -2.579 9.072 -3.816 1.00 0.00 O ATOM 943 CB ALA A 63 -4.486 6.219 -3.697 1.00 0.00 C ATOM 0 H ALA A 63 -5.127 6.687 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.709 6.847 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.015 6.164 -4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.467 5.235 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.519 6.547 -3.809 1.00 0.00 H new ATOM 949 N ALA A 64 -4.826 9.188 -3.700 1.00 0.00 N ATOM 950 CA ALA A 64 -4.904 10.506 -4.321 1.00 0.00 C ATOM 951 C ALA A 64 -3.960 11.478 -3.627 1.00 0.00 C ATOM 952 O ALA A 64 -3.333 12.321 -4.269 1.00 0.00 O ATOM 953 CB ALA A 64 -6.335 11.028 -4.281 1.00 0.00 C ATOM 0 H ALA A 64 -5.729 8.790 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.599 10.417 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.377 12.012 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.988 10.342 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.666 11.104 -3.245 1.00 0.00 H new ATOM 959 N ARG A 65 -3.850 11.338 -2.309 1.00 0.00 N ATOM 960 CA ARG A 65 -2.967 12.183 -1.523 1.00 0.00 C ATOM 961 C ARG A 65 -1.519 11.918 -1.910 1.00 0.00 C ATOM 962 O ARG A 65 -0.712 12.841 -2.011 1.00 0.00 O ATOM 963 CB ARG A 65 -3.171 11.911 -0.034 1.00 0.00 C ATOM 964 CG ARG A 65 -2.893 13.110 0.851 1.00 0.00 C ATOM 965 CD ARG A 65 -3.358 12.862 2.277 1.00 0.00 C ATOM 966 NE ARG A 65 -4.130 13.983 2.808 1.00 0.00 N ATOM 967 CZ ARG A 65 -3.583 15.107 3.267 1.00 0.00 C ATOM 968 NH1 ARG A 65 -2.265 15.263 3.265 1.00 0.00 N ATOM 969 NH2 ARG A 65 -4.357 16.079 3.732 1.00 0.00 N ATOM 0 H ARG A 65 -4.364 10.645 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.202 13.228 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.197 11.582 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.521 11.090 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.825 13.328 0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.399 13.987 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.966 11.958 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.492 12.685 2.914 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.146 13.900 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.664 14.519 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.853 16.127 3.618 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.371 15.965 3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.938 16.940 4.084 1.00 0.00 H new ATOM 983 N ALA A 66 -1.204 10.647 -2.144 1.00 0.00 N ATOM 984 CA ALA A 66 0.138 10.257 -2.542 1.00 0.00 C ATOM 985 C ALA A 66 0.461 10.852 -3.900 1.00 0.00 C ATOM 986 O ALA A 66 1.558 11.362 -4.122 1.00 0.00 O ATOM 987 CB ALA A 66 0.276 8.744 -2.560 1.00 0.00 C ATOM 0 H ALA A 66 -1.863 9.872 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 66 0.851 10.643 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.288 8.475 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.076 8.349 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.437 8.322 -3.268 1.00 0.00 H new ATOM 993 N LYS A 67 -0.514 10.807 -4.802 1.00 0.00 N ATOM 994 CA LYS A 67 -0.339 11.367 -6.131 1.00 0.00 C ATOM 995 C LYS A 67 -0.074 12.860 -6.027 1.00 0.00 C ATOM 996 O LYS A 67 0.854 13.386 -6.642 1.00 0.00 O ATOM 997 CB LYS A 67 -1.576 11.106 -6.992 1.00 0.00 C ATOM 998 CG LYS A 67 -1.797 9.636 -7.308 1.00 0.00 C ATOM 999 CD LYS A 67 -3.246 9.229 -7.088 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.622 8.024 -7.935 1.00 0.00 C ATOM 1001 NZ LYS A 67 -4.976 8.171 -8.540 1.00 0.00 N ATOM 0 H LYS A 67 -1.429 10.389 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 67 0.515 10.885 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.455 11.495 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.482 11.660 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.516 9.439 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.148 9.026 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.404 8.998 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.901 10.065 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.884 7.891 -8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.595 7.125 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.195 7.329 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.684 8.272 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.995 9.015 -9.148 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.883 13.533 -5.216 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.728 14.963 -4.994 1.00 0.00 C ATOM 1017 C ASN A 68 0.544 15.224 -4.192 1.00 0.00 C ATOM 1018 O ASN A 68 1.135 16.302 -4.271 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.943 15.515 -4.248 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.150 16.996 -4.494 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.906 17.823 -3.615 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.604 17.338 -5.693 1.00 0.00 N ATOM 0 H ASN A 68 -1.654 13.108 -4.701 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.652 15.467 -5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.835 14.970 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.819 15.341 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.764 18.320 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.793 16.619 -6.391 1.00 0.00 H new ATOM 1029 N ALA A 69 0.955 14.220 -3.422 1.00 0.00 N ATOM 1030 CA ALA A 69 2.152 14.308 -2.598 1.00 0.00 C ATOM 1031 C ALA A 69 3.417 14.147 -3.435 1.00 0.00 C ATOM 1032 O ALA A 69 4.497 14.576 -3.034 1.00 0.00 O ATOM 1033 CB ALA A 69 2.108 13.244 -1.515 1.00 0.00 C ATOM 0 H ALA A 69 0.468 13.326 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 69 2.177 15.297 -2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.006 13.313 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.228 13.397 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.059 12.257 -1.976 1.00 0.00 H new ATOM 1039 N GLY A 70 3.276 13.513 -4.594 1.00 0.00 N ATOM 1040 CA GLY A 70 4.413 13.291 -5.463 1.00 0.00 C ATOM 1041 C GLY A 70 4.771 11.822 -5.537 1.00 0.00 C ATOM 1042 O GLY A 70 5.915 11.463 -5.822 1.00 0.00 O ATOM 0 H GLY A 70 2.391 13.148 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.188 13.663 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.269 13.858 -5.097 1.00 0.00 H new ATOM 1046 N PHE A 71 3.787 10.972 -5.264 1.00 0.00 N ATOM 1047 CA PHE A 71 3.980 9.533 -5.282 1.00 0.00 C ATOM 1048 C PHE A 71 2.886 8.873 -6.108 1.00 0.00 C ATOM 1049 O PHE A 71 1.758 9.356 -6.150 1.00 0.00 O ATOM 1050 CB PHE A 71 3.946 8.990 -3.852 1.00 0.00 C ATOM 1051 CG PHE A 71 4.459 9.961 -2.823 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.695 10.569 -2.982 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.701 10.275 -1.703 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.167 11.468 -2.044 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.167 11.175 -0.763 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.402 11.771 -0.934 1.00 0.00 C ATOM 0 H PHE A 71 2.839 11.263 -5.026 1.00 0.00 H new ATOM 0 HA PHE A 71 4.948 9.309 -5.730 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.921 8.716 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.540 8.077 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.296 10.337 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.736 9.811 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.132 11.933 -2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.567 11.412 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.769 12.473 -0.200 1.00 0.00 H new ATOM 1066 N ASP A 72 3.208 7.766 -6.758 1.00 0.00 N ATOM 1067 CA ASP A 72 2.228 7.060 -7.570 1.00 0.00 C ATOM 1068 C ASP A 72 1.518 5.988 -6.753 1.00 0.00 C ATOM 1069 O ASP A 72 1.758 4.796 -6.943 1.00 0.00 O ATOM 1070 CB ASP A 72 2.903 6.429 -8.790 1.00 0.00 C ATOM 1071 CG ASP A 72 1.911 5.757 -9.718 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.808 6.312 -9.910 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.234 4.674 -10.250 1.00 0.00 O ATOM 0 H ASP A 72 4.134 7.339 -6.740 1.00 0.00 H new ATOM 0 HA ASP A 72 1.486 7.782 -7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.446 7.198 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.638 5.696 -8.456 1.00 0.00 H new ATOM 1078 N ALA A 73 0.640 6.411 -5.843 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.096 5.470 -5.007 1.00 0.00 C ATOM 1080 C ALA A 73 -1.347 4.954 -5.706 1.00 0.00 C ATOM 1081 O ALA A 73 -2.048 5.701 -6.388 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.473 6.119 -3.686 1.00 0.00 C ATOM 0 H ALA A 73 0.424 7.393 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 73 0.559 4.619 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.022 5.404 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.431 6.428 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.099 6.991 -3.875 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.627 3.673 -5.511 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.799 3.037 -6.094 1.00 0.00 C ATOM 1090 C ILE A 74 -3.517 2.202 -5.041 1.00 0.00 C ATOM 1091 O ILE A 74 -2.892 1.714 -4.103 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.424 2.135 -7.286 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.386 1.095 -6.862 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.900 2.976 -8.441 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.452 -0.186 -7.663 1.00 0.00 C ATOM 0 H ILE A 74 -1.051 3.048 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.455 3.828 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.319 1.610 -7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.390 1.526 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.527 0.862 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.639 2.325 -9.276 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.670 3.680 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.015 3.525 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.688 -0.877 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.436 -0.640 -7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.280 0.034 -8.717 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.823 2.032 -5.197 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.597 1.247 -4.244 1.00 0.00 C ATOM 1109 C VAL A 75 -5.923 -0.130 -4.807 1.00 0.00 C ATOM 1110 O VAL A 75 -6.303 -0.263 -5.971 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.903 1.964 -3.844 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.745 1.087 -2.925 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.588 3.295 -3.176 1.00 0.00 C ATOM 0 H VAL A 75 -5.365 2.423 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.980 1.131 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.482 2.155 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.660 1.615 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.998 0.159 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.180 0.859 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.518 3.792 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.989 3.121 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.032 3.927 -3.868 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.768 -1.152 -3.975 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.040 -2.518 -4.391 1.00 0.00 C ATOM 1125 C ILE A 76 -6.765 -3.298 -3.297 1.00 0.00 C ATOM 1126 O ILE A 76 -6.464 -3.152 -2.107 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.740 -3.258 -4.765 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -5.049 -4.677 -5.246 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.783 -3.287 -3.581 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.818 -5.473 -5.618 1.00 0.00 C ATOM 0 H ILE A 76 -5.455 -1.059 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.682 -2.459 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.258 -2.719 -5.581 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.591 -5.207 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.711 -4.622 -6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.871 -3.813 -3.863 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.537 -2.267 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.255 -3.802 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.115 -6.468 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.286 -4.966 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.165 -5.560 -4.750 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.719 -4.124 -3.715 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.495 -4.939 -2.794 1.00 0.00 C ATOM 1144 C LEU A 77 -7.943 -6.363 -2.759 1.00 0.00 C ATOM 1145 O LEU A 77 -8.163 -7.147 -3.683 1.00 0.00 O ATOM 1146 CB LEU A 77 -9.969 -4.942 -3.216 1.00 0.00 C ATOM 1147 CG LEU A 77 -10.823 -6.068 -2.629 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -11.011 -5.871 -1.134 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.168 -6.137 -3.335 1.00 0.00 C ATOM 0 H LEU A 77 -7.973 -4.245 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.420 -4.516 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.412 -3.988 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.017 -5.003 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.304 -7.014 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.621 -6.681 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.038 -5.872 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.509 -4.919 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.763 -6.943 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.694 -5.191 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.012 -6.327 -4.397 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.221 -6.690 -1.692 1.00 0.00 N ATOM 1162 CA GLU A 78 -6.633 -8.019 -1.546 1.00 0.00 C ATOM 1163 C GLU A 78 -7.558 -8.943 -0.764 1.00 0.00 C ATOM 1164 O GLU A 78 -7.817 -8.720 0.420 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.276 -7.924 -0.847 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.188 -7.304 -1.711 1.00 0.00 C ATOM 1167 CD GLU A 78 -2.794 -7.645 -1.226 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -2.547 -8.828 -0.911 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -1.947 -6.729 -1.158 1.00 0.00 O ATOM 0 H GLU A 78 -7.029 -6.055 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.493 -8.438 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.386 -7.334 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.962 -8.923 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.305 -7.648 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.310 -6.221 -1.721 1.00 0.00 H new ATOM 1176 N SER A 79 -8.048 -9.985 -1.430 1.00 0.00 N ATOM 1177 CA SER A 79 -8.941 -10.947 -0.796 1.00 0.00 C ATOM 1178 C SER A 79 -8.280 -12.318 -0.697 1.00 0.00 C ATOM 1179 O SER A 79 -7.418 -12.621 -1.547 1.00 0.00 O ATOM 1180 CB SER A 79 -10.249 -11.054 -1.582 1.00 0.00 C ATOM 1181 OG SER A 79 -10.734 -9.773 -1.943 1.00 0.00 O ATOM 1182 OXT SER A 79 -8.631 -13.077 0.231 1.00 0.00 O ATOM 0 H SER A 79 -7.841 -10.184 -2.409 1.00 0.00 H new ATOM 0 HA SER A 79 -9.159 -10.595 0.212 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.090 -11.652 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.996 -11.573 -0.982 1.00 0.00 H new ATOM 0 HG SER A 79 -11.570 -9.869 -2.446 1.00 0.00 H new TER 1188 SER A 79