USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 591 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 6 THR OG1 : rot 51:sc= 0.0453 USER MOD Set 1.2: A 17 GLN :FLIP amide:sc= -0.0742 F(o=-0.55!,f=-0.029) USER MOD Single : A 2 SER OG : rot -143:sc= 1.29 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -176:sc= 0 (180deg=-0.0586) USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 1.25 (180deg=0.855) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 1.12 (180deg=0.775) USER MOD Single : A 11 TYR OH : rot 0:sc= 0.00501 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0.12 (180deg=-0.366) USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= 1.31 (180deg=0.468) USER MOD Single : A 21 SER OG : rot -81:sc= 1.1 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0425 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= 1.24 (180deg=0.62) USER MOD Single : A 34 HIS : no HE2:sc= 0.098 K(o=0.098,f=-4.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= 0.165 (180deg=-0.26) USER MOD Single : A 46 MET CE :methyl 147:sc= -0.845 (180deg=-1.87) USER MOD Single : A 48 MET CE :methyl 159:sc= -1.02 (180deg=-2.52!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.274 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.189 F(o=-1.1,f=-0.19) USER MOD Single : A 61 MET CE :methyl 166:sc=-0.00683 (180deg=-0.208) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.065) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.13) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.17) USER MOD Single : B 12 TYR OH : rot 15:sc= 0.784 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.698 3.039 -4.652 1.00 10.00 N ATOM 9 CA SER A 2 -17.010 3.759 -3.596 1.00 10.00 C ATOM 10 C SER A 2 -16.909 5.237 -3.951 1.00 10.00 C ATOM 11 O SER A 2 -16.615 5.595 -5.095 1.00 10.00 O ATOM 12 CB SER A 2 -15.615 3.167 -3.375 1.00 10.00 C ATOM 13 OG SER A 2 -14.955 3.770 -2.273 1.00 10.00 O ATOM 0 HA SER A 2 -17.580 3.660 -2.672 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.698 2.093 -3.206 1.00 10.00 H new ATOM 0 HB3 SER A 2 -15.016 3.302 -4.276 1.00 10.00 H new ATOM 0 HG SER A 2 -14.000 3.863 -2.474 1.00 10.00 H new ATOM 19 N HIS A 3 -17.163 6.091 -2.972 1.00 10.00 N ATOM 20 CA HIS A 3 -17.102 7.531 -3.180 1.00 10.00 C ATOM 21 C HIS A 3 -15.786 8.092 -2.659 1.00 10.00 C ATOM 22 O HIS A 3 -15.572 9.304 -2.655 1.00 10.00 O ATOM 23 CB HIS A 3 -18.278 8.231 -2.487 1.00 10.00 C ATOM 24 CG HIS A 3 -19.586 8.076 -3.209 1.00 10.00 C ATOM 25 ND1 HIS A 3 -20.346 9.169 -3.555 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.231 6.948 -3.612 1.00 10.00 C ATOM 27 CE1 HIS A 3 -21.426 8.688 -4.155 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.395 7.353 -4.209 1.00 10.00 N ATOM 0 H HIS A 3 -17.414 5.812 -2.023 1.00 10.00 H new ATOM 0 HA HIS A 3 -17.166 7.719 -4.252 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.382 7.833 -1.477 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -18.051 9.293 -2.390 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -19.891 5.931 -3.486 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -22.227 9.296 -4.549 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -22.106 6.748 -4.619 1.00 10.00 H new ATOM 36 N MET A 4 -14.902 7.203 -2.229 1.00 10.00 N ATOM 37 CA MET A 4 -13.606 7.610 -1.700 1.00 10.00 C ATOM 38 C MET A 4 -12.556 7.671 -2.804 1.00 10.00 C ATOM 39 O MET A 4 -12.881 7.622 -3.993 1.00 10.00 O ATOM 40 CB MET A 4 -13.151 6.652 -0.594 1.00 10.00 C ATOM 41 CG MET A 4 -13.853 6.866 0.737 1.00 10.00 C ATOM 42 SD MET A 4 -13.936 8.605 1.218 1.00 10.00 S ATOM 43 CE MET A 4 -12.196 9.017 1.346 1.00 10.00 C ATOM 0 H MET A 4 -15.058 6.195 -2.236 1.00 10.00 H new ATOM 0 HA MET A 4 -13.718 8.609 -1.278 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.322 5.627 -0.923 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.077 6.765 -0.449 1.00 10.00 H new ATOM 0 HG2 MET A 4 -14.864 6.462 0.678 1.00 10.00 H new ATOM 0 HG3 MET A 4 -13.331 6.305 1.512 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.090 10.041 1.705 1.00 10.00 H new ATOM 0 HE2 MET A 4 -11.711 8.335 2.045 1.00 10.00 H new ATOM 0 HE3 MET A 4 -11.727 8.926 0.366 1.00 10.00 H new ATOM 53 N ALA A 5 -11.298 7.794 -2.405 1.00 10.00 N ATOM 54 CA ALA A 5 -10.198 7.862 -3.348 1.00 10.00 C ATOM 55 C ALA A 5 -9.386 6.572 -3.320 1.00 10.00 C ATOM 56 O ALA A 5 -9.104 6.021 -2.252 1.00 10.00 O ATOM 57 CB ALA A 5 -9.309 9.056 -3.038 1.00 10.00 C ATOM 0 H ALA A 5 -11.016 7.849 -1.426 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.610 7.986 -4.350 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.488 9.094 -3.754 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.894 9.973 -3.108 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.907 8.958 -2.030 1.00 10.00 H new ATOM 63 N THR A 6 -9.024 6.090 -4.494 1.00 10.00 N ATOM 64 CA THR A 6 -8.247 4.871 -4.612 1.00 10.00 C ATOM 65 C THR A 6 -6.765 5.179 -4.791 1.00 10.00 C ATOM 66 O THR A 6 -6.399 6.111 -5.508 1.00 10.00 O ATOM 67 CB THR A 6 -8.742 4.028 -5.794 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.296 4.888 -6.803 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.788 3.021 -5.339 1.00 10.00 C ATOM 0 H THR A 6 -9.258 6.528 -5.385 1.00 10.00 H new ATOM 0 HA THR A 6 -8.377 4.307 -3.689 1.00 10.00 H new ATOM 0 HB THR A 6 -7.896 3.480 -6.208 1.00 10.00 H new ATOM 0 HG1 THR A 6 -8.658 5.602 -7.010 1.00 10.00 H new ATOM 0 HG21 THR A 6 -10.125 2.434 -6.194 1.00 10.00 H new ATOM 0 HG22 THR A 6 -9.353 2.357 -4.592 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.637 3.549 -4.905 1.00 10.00 H new ATOM 77 N VAL A 7 -5.919 4.411 -4.125 1.00 10.00 N ATOM 78 CA VAL A 7 -4.480 4.600 -4.218 1.00 10.00 C ATOM 79 C VAL A 7 -3.865 3.503 -5.077 1.00 10.00 C ATOM 80 O VAL A 7 -4.201 2.326 -4.928 1.00 10.00 O ATOM 81 CB VAL A 7 -3.811 4.596 -2.824 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.394 5.148 -2.903 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.646 5.381 -1.818 1.00 10.00 C ATOM 0 H VAL A 7 -6.205 3.648 -3.512 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.305 5.573 -4.676 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.753 3.564 -2.479 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -1.943 5.136 -1.911 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.801 4.532 -3.579 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.423 6.172 -3.276 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.155 5.364 -0.845 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.747 6.413 -2.155 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.634 4.929 -1.734 1.00 10.00 H new ATOM 93 N LYS A 8 -2.990 3.895 -5.993 1.00 10.00 N ATOM 94 CA LYS A 8 -2.331 2.943 -6.877 1.00 10.00 C ATOM 95 C LYS A 8 -0.908 2.665 -6.412 1.00 10.00 C ATOM 96 O LYS A 8 -0.193 3.578 -5.995 1.00 10.00 O ATOM 97 CB LYS A 8 -2.313 3.464 -8.315 1.00 10.00 C ATOM 98 CG LYS A 8 -3.550 3.085 -9.112 1.00 10.00 C ATOM 99 CD LYS A 8 -3.294 3.215 -10.602 1.00 10.00 C ATOM 100 CE LYS A 8 -4.506 2.802 -11.423 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.145 2.526 -12.838 1.00 10.00 N ATOM 0 H LYS A 8 -2.720 4.867 -6.144 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.897 2.012 -6.845 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -2.220 4.550 -8.299 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.430 3.076 -8.823 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.840 2.061 -8.877 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.383 3.726 -8.825 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -3.031 4.246 -10.837 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.440 2.597 -10.879 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.958 1.913 -10.983 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.256 3.592 -11.387 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.012 2.431 -13.405 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.572 3.311 -13.210 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.598 1.643 -12.891 1.00 10.00 H new ATOM 115 N PHE A 9 -0.502 1.407 -6.483 1.00 10.00 N ATOM 116 CA PHE A 9 0.835 1.014 -6.067 1.00 10.00 C ATOM 117 C PHE A 9 1.529 0.205 -7.158 1.00 10.00 C ATOM 118 O PHE A 9 0.915 -0.165 -8.161 1.00 10.00 O ATOM 119 CB PHE A 9 0.773 0.191 -4.776 1.00 10.00 C ATOM 120 CG PHE A 9 0.157 0.915 -3.614 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.185 0.749 -3.313 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.918 1.763 -2.825 1.00 10.00 C ATOM 123 CE1 PHE A 9 -1.755 1.407 -2.243 1.00 10.00 C ATOM 124 CE2 PHE A 9 0.354 2.426 -1.753 1.00 10.00 C ATOM 125 CZ PHE A 9 -0.986 2.252 -1.464 1.00 10.00 C ATOM 0 H PHE A 9 -1.080 0.640 -6.825 1.00 10.00 H new ATOM 0 HA PHE A 9 1.410 1.922 -5.886 1.00 10.00 H new ATOM 0 HB2 PHE A 9 0.204 -0.719 -4.966 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.783 -0.115 -4.505 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.792 0.097 -3.923 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.964 1.907 -3.051 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -2.800 1.262 -2.014 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.959 3.079 -1.142 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.432 2.775 -0.631 1.00 10.00 H new ATOM 135 N LYS A 10 2.812 -0.054 -6.955 1.00 10.00 N ATOM 136 CA LYS A 10 3.607 -0.832 -7.892 1.00 10.00 C ATOM 137 C LYS A 10 4.337 -1.929 -7.127 1.00 10.00 C ATOM 138 O LYS A 10 5.518 -2.204 -7.369 1.00 10.00 O ATOM 139 CB LYS A 10 4.609 0.065 -8.624 1.00 10.00 C ATOM 140 CG LYS A 10 4.925 -0.403 -10.035 1.00 10.00 C ATOM 141 CD LYS A 10 5.952 0.497 -10.706 1.00 10.00 C ATOM 142 CE LYS A 10 7.361 -0.050 -10.548 1.00 10.00 C ATOM 143 NZ LYS A 10 8.394 0.970 -10.877 1.00 10.00 N ATOM 0 H LYS A 10 3.330 0.269 -6.138 1.00 10.00 H new ATOM 0 HA LYS A 10 2.951 -1.280 -8.639 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.213 1.079 -8.667 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.534 0.108 -8.049 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.301 -1.426 -10.004 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.010 -0.418 -10.628 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.715 0.594 -11.766 1.00 10.00 H new ATOM 0 HD3 LYS A 10 5.898 1.497 -10.275 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.504 -0.394 -9.524 1.00 10.00 H new ATOM 0 HE3 LYS A 10 7.488 -0.917 -11.196 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 9.332 0.617 -10.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 8.385 1.155 -11.900 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.188 1.851 -10.364 1.00 10.00 H new ATOM 157 N TYR A 11 3.613 -2.539 -6.194 1.00 10.00 N ATOM 158 CA TYR A 11 4.146 -3.597 -5.346 1.00 10.00 C ATOM 159 C TYR A 11 4.604 -4.795 -6.179 1.00 10.00 C ATOM 160 O TYR A 11 3.844 -5.342 -6.984 1.00 10.00 O ATOM 161 CB TYR A 11 3.092 -3.992 -4.288 1.00 10.00 C ATOM 162 CG TYR A 11 2.735 -5.464 -4.236 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.488 -6.350 -3.484 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.629 -5.958 -4.919 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.162 -7.689 -3.421 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.298 -7.298 -4.864 1.00 10.00 C ATOM 167 CZ TYR A 11 2.066 -8.160 -4.108 1.00 10.00 C ATOM 168 OH TYR A 11 1.739 -9.501 -4.037 1.00 10.00 O ATOM 0 H TYR A 11 2.637 -2.312 -6.005 1.00 10.00 H new ATOM 0 HA TYR A 11 5.029 -3.228 -4.825 1.00 10.00 H new ATOM 0 HB2 TYR A 11 3.458 -3.691 -3.307 1.00 10.00 H new ATOM 0 HB3 TYR A 11 2.182 -3.422 -4.478 1.00 10.00 H new ATOM 0 HD1 TYR A 11 4.345 -5.986 -2.937 1.00 10.00 H new ATOM 0 HD2 TYR A 11 1.019 -5.283 -5.502 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.765 -8.366 -2.834 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.443 -7.669 -5.410 1.00 10.00 H new ATOM 0 HH TYR A 11 2.381 -9.964 -3.459 1.00 10.00 H new ATOM 178 N LYS A 12 5.873 -5.155 -5.998 1.00 10.00 N ATOM 179 CA LYS A 12 6.498 -6.280 -6.696 1.00 10.00 C ATOM 180 C LYS A 12 6.460 -6.106 -8.213 1.00 10.00 C ATOM 181 O LYS A 12 6.619 -7.073 -8.960 1.00 10.00 O ATOM 182 CB LYS A 12 5.843 -7.601 -6.295 1.00 10.00 C ATOM 183 CG LYS A 12 6.419 -8.183 -5.016 1.00 10.00 C ATOM 184 CD LYS A 12 6.400 -9.703 -5.030 1.00 10.00 C ATOM 185 CE LYS A 12 7.564 -10.279 -4.244 1.00 10.00 C ATOM 186 NZ LYS A 12 8.872 -9.815 -4.775 1.00 10.00 N ATOM 0 H LYS A 12 6.503 -4.671 -5.358 1.00 10.00 H new ATOM 0 HA LYS A 12 7.545 -6.301 -6.394 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.772 -7.445 -6.167 1.00 10.00 H new ATOM 0 HB3 LYS A 12 5.966 -8.322 -7.104 1.00 10.00 H new ATOM 0 HG2 LYS A 12 7.443 -7.833 -4.886 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.848 -7.820 -4.162 1.00 10.00 H new ATOM 0 HD2 LYS A 12 5.461 -10.060 -4.607 1.00 10.00 H new ATOM 0 HD3 LYS A 12 6.442 -10.059 -6.059 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.474 -9.990 -3.197 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.523 -11.368 -4.279 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.635 -10.401 -4.379 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 8.875 -9.897 -5.812 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.023 -8.822 -4.506 1.00 10.00 H new ATOM 200 N GLY A 13 6.252 -4.875 -8.663 1.00 10.00 N ATOM 201 CA GLY A 13 6.213 -4.598 -10.086 1.00 10.00 C ATOM 202 C GLY A 13 4.803 -4.582 -10.648 1.00 10.00 C ATOM 203 O GLY A 13 4.560 -3.997 -11.706 1.00 10.00 O ATOM 0 H GLY A 13 6.109 -4.061 -8.065 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.685 -3.634 -10.276 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.800 -5.350 -10.613 1.00 10.00 H new ATOM 207 N GLU A 14 3.870 -5.206 -9.939 1.00 10.00 N ATOM 208 CA GLU A 14 2.488 -5.262 -10.394 1.00 10.00 C ATOM 209 C GLU A 14 1.722 -4.040 -9.911 1.00 10.00 C ATOM 210 O GLU A 14 1.831 -3.649 -8.749 1.00 10.00 O ATOM 211 CB GLU A 14 1.799 -6.538 -9.902 1.00 10.00 C ATOM 212 CG GLU A 14 0.588 -6.917 -10.740 1.00 10.00 C ATOM 213 CD GLU A 14 -0.338 -7.889 -10.041 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.054 -9.058 -9.834 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.474 -7.493 -9.709 1.00 10.00 O ATOM 0 H GLU A 14 4.045 -5.678 -9.052 1.00 10.00 H new ATOM 0 HA GLU A 14 2.493 -5.272 -11.484 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.515 -7.360 -9.915 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.489 -6.401 -8.866 1.00 10.00 H new ATOM 0 HG2 GLU A 14 0.033 -6.014 -10.994 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.926 -7.357 -11.678 1.00 10.00 H new ATOM 222 N GLU A 15 0.945 -3.446 -10.800 1.00 10.00 N ATOM 223 CA GLU A 15 0.167 -2.268 -10.460 1.00 10.00 C ATOM 224 C GLU A 15 -1.194 -2.673 -9.908 1.00 10.00 C ATOM 225 O GLU A 15 -2.035 -3.210 -10.632 1.00 10.00 O ATOM 226 CB GLU A 15 -0.020 -1.373 -11.684 1.00 10.00 C ATOM 227 CG GLU A 15 -0.694 -0.047 -11.367 1.00 10.00 C ATOM 228 CD GLU A 15 -1.386 0.553 -12.572 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.723 1.278 -13.341 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.600 0.308 -12.752 1.00 10.00 O ATOM 0 H GLU A 15 0.836 -3.761 -11.764 1.00 10.00 H new ATOM 0 HA GLU A 15 0.711 -1.711 -9.697 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.953 -1.179 -12.134 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.614 -1.906 -12.427 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.422 -0.195 -10.570 1.00 10.00 H new ATOM 0 HG3 GLU A 15 0.051 0.655 -10.992 1.00 10.00 H new ATOM 237 N LYS A 16 -1.398 -2.429 -8.628 1.00 10.00 N ATOM 238 CA LYS A 16 -2.661 -2.750 -7.984 1.00 10.00 C ATOM 239 C LYS A 16 -3.322 -1.477 -7.479 1.00 10.00 C ATOM 240 O LYS A 16 -2.663 -0.443 -7.330 1.00 10.00 O ATOM 241 CB LYS A 16 -2.458 -3.732 -6.827 1.00 10.00 C ATOM 242 CG LYS A 16 -2.132 -5.154 -7.264 1.00 10.00 C ATOM 243 CD LYS A 16 -2.373 -6.141 -6.133 1.00 10.00 C ATOM 244 CE LYS A 16 -2.052 -7.570 -6.540 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.946 -8.079 -7.616 1.00 10.00 N ATOM 0 H LYS A 16 -0.704 -2.008 -8.010 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.308 -3.226 -8.720 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.652 -3.365 -6.192 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -3.361 -3.749 -6.217 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.746 -5.424 -8.124 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.092 -5.210 -7.585 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.762 -5.863 -5.274 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.414 -6.080 -5.816 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.017 -7.623 -6.879 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.135 -8.219 -5.668 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.290 -9.027 -7.362 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.756 -7.436 -7.728 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.418 -8.130 -8.511 1.00 10.00 H new ATOM 259 N GLN A 17 -4.617 -1.546 -7.221 1.00 10.00 N ATOM 260 CA GLN A 17 -5.360 -0.395 -6.741 1.00 10.00 C ATOM 261 C GLN A 17 -6.071 -0.732 -5.439 1.00 10.00 C ATOM 262 O GLN A 17 -6.768 -1.745 -5.350 1.00 10.00 O ATOM 263 CB GLN A 17 -6.376 0.054 -7.790 1.00 10.00 C ATOM 264 CG GLN A 17 -6.980 1.418 -7.508 1.00 10.00 C ATOM 265 CD GLN A 17 -8.107 1.775 -8.458 1.00 10.00 C ATOM 266 OE1 GLN A 17 -8.863 0.781 -8.893 1.00 10.00 O flip ATOM 267 NE2 GLN A 17 -8.294 2.940 -8.801 1.00 10.00 N flip ATOM 0 H GLN A 17 -5.177 -2.391 -7.337 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.659 0.419 -6.559 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.892 0.075 -8.766 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.177 -0.684 -7.847 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.355 1.439 -6.485 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -6.200 2.176 -7.577 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.690 3.680 -8.444 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -9.054 3.167 -9.443 1.00 10.00 H new ATOM 276 N VAL A 18 -5.877 0.106 -4.430 1.00 10.00 N ATOM 277 CA VAL A 18 -6.498 -0.099 -3.125 1.00 10.00 C ATOM 278 C VAL A 18 -7.189 1.175 -2.648 1.00 10.00 C ATOM 279 O VAL A 18 -6.589 2.248 -2.644 1.00 10.00 O ATOM 280 CB VAL A 18 -5.460 -0.524 -2.058 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.133 -0.768 -0.714 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.701 -1.765 -2.501 1.00 10.00 C ATOM 0 H VAL A 18 -5.291 0.939 -4.489 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.230 -0.897 -3.248 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.747 0.292 -1.944 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.384 -1.065 0.019 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.623 0.147 -0.381 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -6.874 -1.560 -0.817 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -3.978 -2.043 -1.734 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.402 -2.586 -2.653 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.178 -1.558 -3.434 1.00 10.00 H new ATOM 292 N ASP A 19 -8.454 1.058 -2.268 1.00 10.00 N ATOM 293 CA ASP A 19 -9.211 2.203 -1.774 1.00 10.00 C ATOM 294 C ASP A 19 -8.685 2.619 -0.405 1.00 10.00 C ATOM 295 O ASP A 19 -8.337 1.768 0.416 1.00 10.00 O ATOM 296 CB ASP A 19 -10.698 1.858 -1.676 1.00 10.00 C ATOM 297 CG ASP A 19 -11.575 3.082 -1.518 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.477 3.758 -0.473 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.382 3.355 -2.429 1.00 10.00 O ATOM 0 H ASP A 19 -8.978 0.183 -2.292 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.090 3.030 -2.473 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.000 1.314 -2.571 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.857 1.191 -0.828 1.00 10.00 H new ATOM 304 N ILE A 20 -8.646 3.922 -0.157 1.00 10.00 N ATOM 305 CA ILE A 20 -8.149 4.449 1.109 1.00 10.00 C ATOM 306 C ILE A 20 -9.002 3.975 2.290 1.00 10.00 C ATOM 307 O ILE A 20 -8.500 3.815 3.401 1.00 10.00 O ATOM 308 CB ILE A 20 -8.078 5.997 1.085 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.326 6.522 2.313 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.472 6.607 1.010 1.00 10.00 C ATOM 311 CD1 ILE A 20 -6.940 7.984 2.215 1.00 10.00 C ATOM 0 H ILE A 20 -8.953 4.636 -0.818 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.140 4.060 1.242 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.530 6.295 0.191 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -7.948 6.378 3.197 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.424 5.927 2.457 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.393 7.694 0.995 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -9.970 6.266 0.102 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.052 6.298 1.880 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.412 8.282 3.121 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.292 8.132 1.351 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -7.838 8.591 2.102 1.00 10.00 H new ATOM 323 N SER A 21 -10.283 3.712 2.042 1.00 10.00 N ATOM 324 CA SER A 21 -11.183 3.259 3.100 1.00 10.00 C ATOM 325 C SER A 21 -10.914 1.797 3.448 1.00 10.00 C ATOM 326 O SER A 21 -11.234 1.336 4.544 1.00 10.00 O ATOM 327 CB SER A 21 -12.645 3.441 2.682 1.00 10.00 C ATOM 328 OG SER A 21 -12.896 2.843 1.424 1.00 10.00 O ATOM 0 H SER A 21 -10.719 3.804 1.124 1.00 10.00 H new ATOM 0 HA SER A 21 -10.996 3.867 3.985 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.299 3.000 3.434 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.883 4.504 2.637 1.00 10.00 H new ATOM 0 HG SER A 21 -12.602 3.447 0.710 1.00 10.00 H new ATOM 334 N LYS A 22 -10.306 1.078 2.513 1.00 10.00 N ATOM 335 CA LYS A 22 -9.992 -0.330 2.713 1.00 10.00 C ATOM 336 C LYS A 22 -8.673 -0.484 3.465 1.00 10.00 C ATOM 337 O LYS A 22 -8.447 -1.488 4.136 1.00 10.00 O ATOM 338 CB LYS A 22 -9.919 -1.057 1.367 1.00 10.00 C ATOM 339 CG LYS A 22 -11.257 -1.149 0.651 1.00 10.00 C ATOM 340 CD LYS A 22 -11.077 -1.523 -0.811 1.00 10.00 C ATOM 341 CE LYS A 22 -12.413 -1.626 -1.529 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.995 -2.988 -1.438 1.00 10.00 N ATOM 0 H LYS A 22 -10.020 1.448 1.607 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.787 -0.777 3.310 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.207 -0.541 0.723 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.533 -2.063 1.528 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.885 -1.891 1.144 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.777 -0.194 0.723 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.454 -0.777 -1.304 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.550 -2.475 -0.882 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.110 -0.906 -1.101 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.282 -1.358 -2.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.905 -3.011 -1.941 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -12.343 -3.674 -1.870 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -13.146 -3.235 -0.439 1.00 10.00 H new ATOM 356 N ILE A 23 -7.809 0.516 3.348 1.00 10.00 N ATOM 357 CA ILE A 23 -6.515 0.492 4.020 1.00 10.00 C ATOM 358 C ILE A 23 -6.694 0.496 5.537 1.00 10.00 C ATOM 359 O ILE A 23 -7.430 1.320 6.084 1.00 10.00 O ATOM 360 CB ILE A 23 -5.631 1.690 3.600 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.430 1.695 2.082 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.288 1.637 4.315 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.634 2.880 1.573 1.00 10.00 C ATOM 0 H ILE A 23 -7.980 1.355 2.794 1.00 10.00 H new ATOM 0 HA ILE A 23 -6.013 -0.427 3.718 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.137 2.612 3.886 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.922 0.776 1.789 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.406 1.689 1.596 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.679 2.487 4.008 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.448 1.675 5.393 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.775 0.711 4.057 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.534 2.813 0.490 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.150 3.804 1.833 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.644 2.877 2.030 1.00 10.00 H new ATOM 375 N LEU A 24 -6.030 -0.435 6.207 1.00 10.00 N ATOM 376 CA LEU A 24 -6.117 -0.544 7.656 1.00 10.00 C ATOM 377 C LEU A 24 -5.016 0.271 8.324 1.00 10.00 C ATOM 378 O LEU A 24 -5.285 1.229 9.053 1.00 10.00 O ATOM 379 CB LEU A 24 -6.004 -2.009 8.090 1.00 10.00 C ATOM 380 CG LEU A 24 -6.993 -2.975 7.431 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.677 -4.410 7.823 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.423 -2.619 7.812 1.00 10.00 C ATOM 0 H LEU A 24 -5.423 -1.128 5.768 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.086 -0.152 7.966 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.992 -2.354 7.879 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -6.140 -2.060 9.170 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.894 -2.884 6.349 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.390 -5.083 7.346 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.667 -4.662 7.499 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.747 -4.515 8.906 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.111 -3.316 7.334 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.537 -2.680 8.894 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.646 -1.605 7.481 1.00 10.00 H new ATOM 394 N SER A 25 -3.772 -0.120 8.075 1.00 10.00 N ATOM 395 CA SER A 25 -2.621 0.560 8.653 1.00 10.00 C ATOM 396 C SER A 25 -1.439 0.540 7.691 1.00 10.00 C ATOM 397 O SER A 25 -1.211 -0.452 6.993 1.00 10.00 O ATOM 398 CB SER A 25 -2.217 -0.114 9.969 1.00 10.00 C ATOM 399 OG SER A 25 -3.322 -0.752 10.589 1.00 10.00 O ATOM 0 H SER A 25 -3.535 -0.909 7.473 1.00 10.00 H new ATOM 0 HA SER A 25 -2.901 1.596 8.844 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.433 -0.847 9.778 1.00 10.00 H new ATOM 0 HB3 SER A 25 -1.799 0.630 10.646 1.00 10.00 H new ATOM 0 HG SER A 25 -3.030 -1.173 11.424 1.00 10.00 H new ATOM 405 N VAL A 26 -0.711 1.644 7.637 1.00 10.00 N ATOM 406 CA VAL A 26 0.462 1.751 6.784 1.00 10.00 C ATOM 407 C VAL A 26 1.718 1.855 7.647 1.00 10.00 C ATOM 408 O VAL A 26 1.740 2.598 8.632 1.00 10.00 O ATOM 409 CB VAL A 26 0.378 2.977 5.846 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.584 3.043 4.927 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.906 2.948 5.033 1.00 10.00 C ATOM 0 H VAL A 26 -0.914 2.484 8.178 1.00 10.00 H new ATOM 0 HA VAL A 26 0.506 0.855 6.164 1.00 10.00 H new ATOM 0 HB VAL A 26 0.373 3.872 6.468 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.500 3.915 4.278 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.493 3.122 5.524 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.627 2.140 4.318 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.943 3.820 4.380 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.934 2.041 4.429 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.763 2.962 5.706 1.00 10.00 H new ATOM 421 N GLY A 27 2.746 1.093 7.295 1.00 10.00 N ATOM 422 CA GLY A 27 3.983 1.121 8.047 1.00 10.00 C ATOM 423 C GLY A 27 5.185 1.384 7.159 1.00 10.00 C ATOM 424 O GLY A 27 5.389 0.700 6.154 1.00 10.00 O ATOM 0 H GLY A 27 2.744 0.455 6.499 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.923 1.894 8.814 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.115 0.170 8.563 1.00 10.00 H new ATOM 428 N ARG A 28 5.979 2.377 7.524 1.00 10.00 N ATOM 429 CA ARG A 28 7.162 2.733 6.754 1.00 10.00 C ATOM 430 C ARG A 28 8.400 2.055 7.330 1.00 10.00 C ATOM 431 O ARG A 28 8.813 2.344 8.452 1.00 10.00 O ATOM 432 CB ARG A 28 7.351 4.252 6.734 1.00 10.00 C ATOM 433 CG ARG A 28 8.502 4.709 5.854 1.00 10.00 C ATOM 434 CD ARG A 28 8.739 6.204 5.967 1.00 10.00 C ATOM 435 NE ARG A 28 9.851 6.643 5.126 1.00 10.00 N ATOM 436 CZ ARG A 28 11.080 6.900 5.576 1.00 10.00 C ATOM 437 NH1 ARG A 28 11.365 6.777 6.869 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.027 7.259 4.722 1.00 10.00 N ATOM 0 H ARG A 28 5.826 2.953 8.351 1.00 10.00 H new ATOM 0 HA ARG A 28 7.021 2.386 5.730 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.430 4.720 6.386 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.521 4.602 7.752 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.409 4.175 6.136 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.290 4.452 4.816 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.833 6.738 5.680 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.945 6.462 7.006 1.00 10.00 H new ATOM 0 HE ARG A 28 9.675 6.761 4.128 1.00 10.00 H new ATOM 0 HH11 ARG A 28 10.641 6.484 7.525 1.00 10.00 H new ATOM 0 HH12 ARG A 28 12.308 6.976 7.205 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.814 7.337 3.728 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.969 7.457 5.059 1.00 10.00 H new ATOM 452 N TYR A 29 8.985 1.157 6.553 1.00 10.00 N ATOM 453 CA TYR A 29 10.179 0.434 6.976 1.00 10.00 C ATOM 454 C TYR A 29 11.434 1.149 6.490 1.00 10.00 C ATOM 455 O TYR A 29 12.555 0.680 6.693 1.00 10.00 O ATOM 456 CB TYR A 29 10.158 -0.992 6.425 1.00 10.00 C ATOM 457 CG TYR A 29 9.929 -2.053 7.475 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.645 -2.488 7.784 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.998 -2.627 8.154 1.00 10.00 C ATOM 460 CE1 TYR A 29 8.435 -3.466 8.738 1.00 10.00 C ATOM 461 CE2 TYR A 29 10.793 -3.604 9.111 1.00 10.00 C ATOM 462 CZ TYR A 29 9.511 -4.019 9.397 1.00 10.00 C ATOM 463 OH TYR A 29 9.304 -4.990 10.347 1.00 10.00 O ATOM 0 H TYR A 29 8.652 0.909 5.621 1.00 10.00 H new ATOM 0 HA TYR A 29 10.189 0.398 8.065 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.375 -1.067 5.670 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.105 -1.191 5.923 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.799 -2.055 7.271 1.00 10.00 H new ATOM 0 HD2 TYR A 29 12.004 -2.305 7.930 1.00 10.00 H new ATOM 0 HE1 TYR A 29 7.432 -3.795 8.966 1.00 10.00 H new ATOM 0 HE2 TYR A 29 11.633 -4.039 9.631 1.00 10.00 H new ATOM 0 HH TYR A 29 10.166 -5.276 10.716 1.00 10.00 H new ATOM 473 N GLY A 30 11.231 2.286 5.850 1.00 10.00 N ATOM 474 CA GLY A 30 12.330 3.059 5.321 1.00 10.00 C ATOM 475 C GLY A 30 12.122 3.336 3.853 1.00 10.00 C ATOM 476 O GLY A 30 11.222 4.085 3.489 1.00 10.00 O ATOM 0 H GLY A 30 10.310 2.692 5.686 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.417 3.999 5.866 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.266 2.519 5.466 1.00 10.00 H new ATOM 480 N LYS A 31 12.926 2.711 3.008 1.00 10.00 N ATOM 481 CA LYS A 31 12.799 2.890 1.569 1.00 10.00 C ATOM 482 C LYS A 31 11.660 2.029 1.041 1.00 10.00 C ATOM 483 O LYS A 31 11.118 2.282 -0.034 1.00 10.00 O ATOM 484 CB LYS A 31 14.108 2.536 0.861 1.00 10.00 C ATOM 485 CG LYS A 31 15.246 3.504 1.153 1.00 10.00 C ATOM 486 CD LYS A 31 14.893 4.926 0.735 1.00 10.00 C ATOM 487 CE LYS A 31 14.737 5.841 1.936 1.00 10.00 C ATOM 488 NZ LYS A 31 14.111 7.137 1.569 1.00 10.00 N ATOM 0 H LYS A 31 13.672 2.076 3.292 1.00 10.00 H new ATOM 0 HA LYS A 31 12.577 3.938 1.365 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.412 1.532 1.159 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.933 2.510 -0.215 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.477 3.484 2.218 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.144 3.181 0.626 1.00 10.00 H new ATOM 0 HD2 LYS A 31 15.671 5.316 0.079 1.00 10.00 H new ATOM 0 HD3 LYS A 31 13.966 4.917 0.161 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.129 5.346 2.693 1.00 10.00 H new ATOM 0 HE3 LYS A 31 15.715 6.024 2.382 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.716 7.919 1.892 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.000 7.189 0.536 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.178 7.212 2.022 1.00 10.00 H new ATOM 502 N LEU A 32 11.307 1.012 1.815 1.00 10.00 N ATOM 503 CA LEU A 32 10.225 0.107 1.464 1.00 10.00 C ATOM 504 C LEU A 32 9.055 0.322 2.418 1.00 10.00 C ATOM 505 O LEU A 32 9.221 0.278 3.639 1.00 10.00 O ATOM 506 CB LEU A 32 10.700 -1.351 1.530 1.00 10.00 C ATOM 507 CG LEU A 32 11.353 -1.900 0.254 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.838 -3.320 0.483 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.379 -1.852 -0.917 1.00 10.00 C ATOM 0 H LEU A 32 11.762 0.793 2.701 1.00 10.00 H new ATOM 0 HA LEU A 32 9.904 0.316 0.444 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.413 -1.444 2.349 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.846 -1.981 1.778 1.00 10.00 H new ATOM 0 HG LEU A 32 12.209 -1.272 0.008 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.299 -3.699 -0.429 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.570 -3.329 1.290 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.993 -3.954 0.752 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.864 -2.246 -1.810 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.501 -2.455 -0.685 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.074 -0.821 -1.095 1.00 10.00 H new ATOM 521 N ILE A 33 7.885 0.575 1.864 1.00 10.00 N ATOM 522 CA ILE A 33 6.691 0.809 2.662 1.00 10.00 C ATOM 523 C ILE A 33 5.719 -0.359 2.539 1.00 10.00 C ATOM 524 O ILE A 33 5.313 -0.730 1.435 1.00 10.00 O ATOM 525 CB ILE A 33 5.981 2.114 2.241 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.939 3.302 2.367 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.736 2.345 3.087 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.365 4.606 1.853 1.00 10.00 C ATOM 0 H ILE A 33 7.733 0.625 0.857 1.00 10.00 H new ATOM 0 HA ILE A 33 7.010 0.903 3.700 1.00 10.00 H new ATOM 0 HB ILE A 33 5.675 2.020 1.199 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.215 3.425 3.414 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.855 3.078 1.820 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.250 3.269 2.775 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.047 1.511 2.956 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.018 2.420 4.137 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.101 5.401 1.975 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.115 4.502 0.797 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.465 4.855 2.416 1.00 10.00 H new ATOM 540 N HIS A 34 5.350 -0.925 3.676 1.00 10.00 N ATOM 541 CA HIS A 34 4.430 -2.053 3.721 1.00 10.00 C ATOM 542 C HIS A 34 3.106 -1.600 4.324 1.00 10.00 C ATOM 543 O HIS A 34 3.088 -0.843 5.293 1.00 10.00 O ATOM 544 CB HIS A 34 5.057 -3.200 4.536 1.00 10.00 C ATOM 545 CG HIS A 34 4.103 -4.286 4.938 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.822 -5.396 4.173 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.378 -4.427 6.078 1.00 10.00 C ATOM 548 CE1 HIS A 34 2.958 -6.155 4.852 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.654 -5.612 6.017 1.00 10.00 N ATOM 0 H HIS A 34 5.678 -0.618 4.592 1.00 10.00 H new ATOM 0 HA HIS A 34 4.239 -2.422 2.713 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.863 -3.643 3.951 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.509 -2.782 5.436 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.206 -5.602 3.251 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.366 -3.729 6.902 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.559 -7.093 4.494 1.00 10.00 H new ATOM 557 N PHE A 35 2.002 -2.047 3.750 1.00 10.00 N ATOM 558 CA PHE A 35 0.692 -1.654 4.243 1.00 10.00 C ATOM 559 C PHE A 35 -0.269 -2.837 4.285 1.00 10.00 C ATOM 560 O PHE A 35 -0.152 -3.783 3.503 1.00 10.00 O ATOM 561 CB PHE A 35 0.108 -0.534 3.370 1.00 10.00 C ATOM 562 CG PHE A 35 0.011 -0.882 1.906 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.140 -1.457 1.390 1.00 10.00 C ATOM 564 CD2 PHE A 35 1.073 -0.634 1.049 1.00 10.00 C ATOM 565 CE1 PHE A 35 -1.230 -1.779 0.050 1.00 10.00 C ATOM 566 CE2 PHE A 35 0.987 -0.955 -0.293 1.00 10.00 C ATOM 567 CZ PHE A 35 -0.166 -1.527 -0.793 1.00 10.00 C ATOM 0 H PHE A 35 1.985 -2.677 2.948 1.00 10.00 H new ATOM 0 HA PHE A 35 0.819 -1.287 5.262 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.886 -0.281 3.739 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.725 0.358 3.480 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -1.976 -1.656 2.044 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.977 -0.185 1.434 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -2.132 -2.228 -0.338 1.00 10.00 H new ATOM 0 HE2 PHE A 35 1.821 -0.758 -0.950 1.00 10.00 H new ATOM 0 HZ PHE A 35 -0.235 -1.777 -1.841 1.00 10.00 H new ATOM 577 N LEU A 36 -1.215 -2.770 5.213 1.00 10.00 N ATOM 578 CA LEU A 36 -2.226 -3.803 5.370 1.00 10.00 C ATOM 579 C LEU A 36 -3.592 -3.212 5.051 1.00 10.00 C ATOM 580 O LEU A 36 -3.932 -2.131 5.539 1.00 10.00 O ATOM 581 CB LEU A 36 -2.228 -4.351 6.803 1.00 10.00 C ATOM 582 CG LEU A 36 -0.962 -5.100 7.235 1.00 10.00 C ATOM 583 CD1 LEU A 36 -1.013 -5.414 8.724 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.793 -6.380 6.429 1.00 10.00 C ATOM 0 H LEU A 36 -1.301 -1.999 5.876 1.00 10.00 H new ATOM 0 HA LEU A 36 -2.001 -4.623 4.688 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.387 -3.519 7.489 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.080 -5.022 6.913 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.102 -4.458 7.044 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.107 -5.946 9.015 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.086 -4.485 9.289 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.883 -6.036 8.935 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.111 -6.896 6.751 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.656 -7.027 6.588 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.713 -6.135 5.370 1.00 10.00 H new ATOM 596 N TYR A 37 -4.372 -3.896 4.231 1.00 10.00 N ATOM 597 CA TYR A 37 -5.689 -3.397 3.871 1.00 10.00 C ATOM 598 C TYR A 37 -6.727 -4.513 3.882 1.00 10.00 C ATOM 599 O TYR A 37 -6.386 -5.690 3.796 1.00 10.00 O ATOM 600 CB TYR A 37 -5.653 -2.697 2.505 1.00 10.00 C ATOM 601 CG TYR A 37 -5.555 -3.621 1.307 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.693 -3.992 0.602 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.329 -4.105 0.868 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.614 -4.815 -0.503 1.00 10.00 C ATOM 605 CE2 TYR A 37 -4.241 -4.932 -0.236 1.00 10.00 C ATOM 606 CZ TYR A 37 -5.387 -5.283 -0.917 1.00 10.00 C ATOM 607 OH TYR A 37 -5.307 -6.098 -2.026 1.00 10.00 O ATOM 0 H TYR A 37 -4.121 -4.788 3.806 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.983 -2.664 4.622 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.552 -2.090 2.402 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.804 -2.014 2.487 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.658 -3.630 0.925 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.429 -3.830 1.398 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -7.510 -5.090 -1.040 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -3.280 -5.301 -0.563 1.00 10.00 H new ATOM 0 HH TYR A 37 -4.371 -6.341 -2.187 1.00 10.00 H new ATOM 617 N ASP A 38 -7.991 -4.132 4.010 1.00 10.00 N ATOM 618 CA ASP A 38 -9.093 -5.086 4.031 1.00 10.00 C ATOM 619 C ASP A 38 -9.403 -5.571 2.623 1.00 10.00 C ATOM 620 O ASP A 38 -9.552 -4.769 1.698 1.00 10.00 O ATOM 621 CB ASP A 38 -10.340 -4.442 4.642 1.00 10.00 C ATOM 622 CG ASP A 38 -11.581 -5.295 4.472 1.00 10.00 C ATOM 623 OD1 ASP A 38 -11.680 -6.342 5.148 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.465 -4.921 3.673 1.00 10.00 O ATOM 0 H ASP A 38 -8.281 -3.158 4.102 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.797 -5.939 4.641 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -10.169 -4.264 5.704 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.506 -3.470 4.178 1.00 10.00 H new ATOM 629 N LEU A 39 -9.497 -6.879 2.457 1.00 10.00 N ATOM 630 CA LEU A 39 -9.787 -7.455 1.153 1.00 10.00 C ATOM 631 C LEU A 39 -11.245 -7.890 1.068 1.00 10.00 C ATOM 632 O LEU A 39 -12.028 -7.327 0.302 1.00 10.00 O ATOM 633 CB LEU A 39 -8.862 -8.641 0.878 1.00 10.00 C ATOM 634 CG LEU A 39 -7.908 -8.456 -0.302 1.00 10.00 C ATOM 635 CD1 LEU A 39 -6.916 -9.603 -0.364 1.00 10.00 C ATOM 636 CD2 LEU A 39 -8.685 -8.350 -1.606 1.00 10.00 C ATOM 0 H LEU A 39 -9.377 -7.561 3.206 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.612 -6.692 0.395 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.274 -8.839 1.774 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.473 -9.525 0.696 1.00 10.00 H new ATOM 0 HG LEU A 39 -7.355 -7.528 -0.157 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -6.243 -9.457 -1.209 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.337 -9.634 0.559 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.454 -10.543 -0.486 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -7.989 -8.219 -2.435 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.264 -9.261 -1.759 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -9.359 -7.495 -1.559 1.00 10.00 H new ATOM 648 N GLY A 40 -11.608 -8.874 1.868 1.00 10.00 N ATOM 649 CA GLY A 40 -12.967 -9.364 1.859 1.00 10.00 C ATOM 650 C GLY A 40 -13.052 -10.766 2.404 1.00 10.00 C ATOM 651 O GLY A 40 -12.052 -11.488 2.432 1.00 10.00 O ATOM 0 H GLY A 40 -10.986 -9.344 2.525 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.597 -8.703 2.453 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.355 -9.344 0.841 1.00 10.00 H new ATOM 655 N GLY A 41 -14.233 -11.144 2.860 1.00 10.00 N ATOM 656 CA GLY A 41 -14.432 -12.471 3.402 1.00 10.00 C ATOM 657 C GLY A 41 -13.729 -12.656 4.730 1.00 10.00 C ATOM 658 O GLY A 41 -13.471 -13.781 5.156 1.00 10.00 O ATOM 0 H GLY A 41 -15.064 -10.552 2.865 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.499 -12.654 3.529 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -14.064 -13.211 2.691 1.00 10.00 H new ATOM 662 N GLY A 42 -13.400 -11.544 5.375 1.00 10.00 N ATOM 663 CA GLY A 42 -12.724 -11.592 6.654 1.00 10.00 C ATOM 664 C GLY A 42 -11.215 -11.561 6.514 1.00 10.00 C ATOM 665 O GLY A 42 -10.505 -11.240 7.470 1.00 10.00 O ATOM 0 H GLY A 42 -13.592 -10.603 5.030 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -13.047 -10.748 7.264 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -13.018 -12.498 7.183 1.00 10.00 H new ATOM 669 N LYS A 43 -10.718 -11.882 5.325 1.00 10.00 N ATOM 670 CA LYS A 43 -9.284 -11.891 5.087 1.00 10.00 C ATOM 671 C LYS A 43 -8.796 -10.505 4.688 1.00 10.00 C ATOM 672 O LYS A 43 -9.564 -9.679 4.183 1.00 10.00 O ATOM 673 CB LYS A 43 -8.904 -12.920 4.011 1.00 10.00 C ATOM 674 CG LYS A 43 -8.948 -12.385 2.585 1.00 10.00 C ATOM 675 CD LYS A 43 -8.654 -13.472 1.569 1.00 10.00 C ATOM 676 CE LYS A 43 -7.158 -13.772 1.462 1.00 10.00 C ATOM 677 NZ LYS A 43 -6.335 -12.544 1.242 1.00 10.00 N ATOM 0 H LYS A 43 -11.285 -12.138 4.517 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.796 -12.179 6.018 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.899 -13.289 4.217 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -9.578 -13.773 4.087 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.931 -11.958 2.387 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.222 -11.579 2.476 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -9.186 -14.381 1.848 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -9.033 -13.167 0.593 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -6.826 -14.268 2.374 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -6.990 -14.469 0.641 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -5.382 -12.817 0.927 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -6.784 -11.951 0.515 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -6.265 -12.009 2.131 1.00 10.00 H new ATOM 691 N ALA A 44 -7.523 -10.254 4.923 1.00 10.00 N ATOM 692 CA ALA A 44 -6.924 -8.977 4.591 1.00 10.00 C ATOM 693 C ALA A 44 -5.922 -9.144 3.459 1.00 10.00 C ATOM 694 O ALA A 44 -5.741 -10.244 2.933 1.00 10.00 O ATOM 695 CB ALA A 44 -6.249 -8.380 5.817 1.00 10.00 C ATOM 0 H ALA A 44 -6.880 -10.923 5.346 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.708 -8.296 4.260 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -5.802 -7.421 5.556 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -6.988 -8.234 6.604 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.472 -9.058 6.171 1.00 10.00 H new ATOM 701 N GLY A 45 -5.305 -8.045 3.070 1.00 10.00 N ATOM 702 CA GLY A 45 -4.314 -8.065 2.019 1.00 10.00 C ATOM 703 C GLY A 45 -3.134 -7.199 2.384 1.00 10.00 C ATOM 704 O GLY A 45 -3.277 -6.263 3.171 1.00 10.00 O ATOM 0 H GLY A 45 -5.476 -7.123 3.471 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.981 -9.088 1.846 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.757 -7.712 1.088 1.00 10.00 H new ATOM 708 N MET A 46 -1.973 -7.495 1.829 1.00 10.00 N ATOM 709 CA MET A 46 -0.780 -6.722 2.136 1.00 10.00 C ATOM 710 C MET A 46 -0.008 -6.380 0.872 1.00 10.00 C ATOM 711 O MET A 46 -0.132 -7.059 -0.147 1.00 10.00 O ATOM 712 CB MET A 46 0.116 -7.488 3.115 1.00 10.00 C ATOM 713 CG MET A 46 0.745 -8.743 2.532 1.00 10.00 C ATOM 714 SD MET A 46 1.401 -9.834 3.807 1.00 10.00 S ATOM 715 CE MET A 46 2.198 -11.086 2.807 1.00 10.00 C ATOM 0 H MET A 46 -1.829 -8.259 1.168 1.00 10.00 H new ATOM 0 HA MET A 46 -1.095 -5.789 2.603 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.909 -6.824 3.460 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.473 -7.763 3.990 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.001 -9.281 1.945 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.547 -8.462 1.850 1.00 10.00 H new ATOM 0 HE1 MET A 46 3.080 -11.460 3.327 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.504 -11.908 2.633 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.496 -10.654 1.852 1.00 10.00 H new ATOM 725 N GLY A 47 0.773 -5.317 0.948 1.00 10.00 N ATOM 726 CA GLY A 47 1.562 -4.885 -0.183 1.00 10.00 C ATOM 727 C GLY A 47 2.756 -4.071 0.261 1.00 10.00 C ATOM 728 O GLY A 47 2.750 -3.516 1.362 1.00 10.00 O ATOM 0 H GLY A 47 0.875 -4.740 1.783 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.901 -5.754 -0.746 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.943 -4.291 -0.855 1.00 10.00 H new ATOM 732 N MET A 48 3.770 -3.992 -0.584 1.00 10.00 N ATOM 733 CA MET A 48 4.977 -3.247 -0.258 1.00 10.00 C ATOM 734 C MET A 48 5.499 -2.499 -1.484 1.00 10.00 C ATOM 735 O MET A 48 5.789 -3.100 -2.518 1.00 10.00 O ATOM 736 CB MET A 48 6.042 -4.202 0.285 1.00 10.00 C ATOM 737 CG MET A 48 7.285 -3.509 0.816 1.00 10.00 C ATOM 738 SD MET A 48 8.249 -4.567 1.920 1.00 10.00 S ATOM 739 CE MET A 48 8.200 -6.124 1.029 1.00 10.00 C ATOM 0 H MET A 48 3.783 -4.435 -1.503 1.00 10.00 H new ATOM 0 HA MET A 48 4.739 -2.509 0.508 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.604 -4.801 1.084 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.334 -4.891 -0.507 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.910 -3.198 -0.021 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.993 -2.604 1.349 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.024 -6.757 1.358 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.254 -6.627 1.228 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.293 -5.934 -0.040 1.00 10.00 H new ATOM 749 N VAL A 49 5.611 -1.184 -1.358 1.00 10.00 N ATOM 750 CA VAL A 49 6.084 -0.338 -2.448 1.00 10.00 C ATOM 751 C VAL A 49 7.295 0.474 -1.994 1.00 10.00 C ATOM 752 O VAL A 49 7.495 0.674 -0.797 1.00 10.00 O ATOM 753 CB VAL A 49 4.958 0.609 -2.941 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.728 1.755 -1.961 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.262 1.147 -4.331 1.00 10.00 C ATOM 0 H VAL A 49 5.379 -0.675 -0.505 1.00 10.00 H new ATOM 0 HA VAL A 49 6.378 -0.980 -3.278 1.00 10.00 H new ATOM 0 HB VAL A 49 4.040 0.023 -2.996 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.933 2.400 -2.336 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.441 1.351 -0.990 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.646 2.334 -1.856 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.456 1.807 -4.650 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.199 1.703 -4.309 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.349 0.316 -5.032 1.00 10.00 H new ATOM 765 N SER A 50 8.112 0.921 -2.936 1.00 10.00 N ATOM 766 CA SER A 50 9.287 1.707 -2.602 1.00 10.00 C ATOM 767 C SER A 50 8.959 3.199 -2.606 1.00 10.00 C ATOM 768 O SER A 50 8.081 3.650 -3.344 1.00 10.00 O ATOM 769 CB SER A 50 10.415 1.406 -3.590 1.00 10.00 C ATOM 770 OG SER A 50 9.908 1.236 -4.902 1.00 10.00 O ATOM 0 H SER A 50 7.983 0.753 -3.934 1.00 10.00 H new ATOM 0 HA SER A 50 9.614 1.434 -1.599 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.140 2.220 -3.579 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.943 0.504 -3.281 1.00 10.00 H new ATOM 0 HG SER A 50 10.647 1.046 -5.516 1.00 10.00 H new ATOM 776 N GLU A 51 9.670 3.961 -1.778 1.00 10.00 N ATOM 777 CA GLU A 51 9.462 5.406 -1.681 1.00 10.00 C ATOM 778 C GLU A 51 9.803 6.111 -2.993 1.00 10.00 C ATOM 779 O GLU A 51 9.382 7.243 -3.228 1.00 10.00 O ATOM 780 CB GLU A 51 10.322 5.998 -0.566 1.00 10.00 C ATOM 781 CG GLU A 51 9.857 5.639 0.834 1.00 10.00 C ATOM 782 CD GLU A 51 10.321 6.643 1.869 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.547 6.820 2.031 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.463 7.270 2.521 1.00 10.00 O ATOM 0 H GLU A 51 10.399 3.601 -1.162 1.00 10.00 H new ATOM 0 HA GLU A 51 8.406 5.564 -1.459 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.349 5.657 -0.694 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.332 7.083 -0.667 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.769 5.581 0.849 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.232 4.650 1.097 1.00 10.00 H new ATOM 791 N LYS A 52 10.583 5.451 -3.834 1.00 10.00 N ATOM 792 CA LYS A 52 10.983 6.025 -5.112 1.00 10.00 C ATOM 793 C LYS A 52 9.952 5.724 -6.190 1.00 10.00 C ATOM 794 O LYS A 52 10.007 6.276 -7.290 1.00 10.00 O ATOM 795 CB LYS A 52 12.353 5.487 -5.524 1.00 10.00 C ATOM 796 CG LYS A 52 13.417 5.674 -4.456 1.00 10.00 C ATOM 797 CD LYS A 52 14.767 5.160 -4.913 1.00 10.00 C ATOM 798 CE LYS A 52 15.807 5.301 -3.816 1.00 10.00 C ATOM 799 NZ LYS A 52 17.171 4.960 -4.295 1.00 10.00 N ATOM 0 H LYS A 52 10.953 4.517 -3.656 1.00 10.00 H new ATOM 0 HA LYS A 52 11.047 7.107 -4.996 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.264 4.426 -5.757 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.673 5.988 -6.438 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.497 6.731 -4.203 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.117 5.151 -3.548 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.681 4.113 -5.204 1.00 10.00 H new ATOM 0 HD3 LYS A 52 15.089 5.711 -5.796 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.800 6.324 -3.439 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.543 4.652 -2.981 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.850 5.069 -3.515 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.185 3.976 -4.631 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.434 5.596 -5.075 1.00 10.00 H new ATOM 813 N ASP A 53 9.011 4.853 -5.866 1.00 10.00 N ATOM 814 CA ASP A 53 7.967 4.472 -6.802 1.00 10.00 C ATOM 815 C ASP A 53 6.696 5.255 -6.533 1.00 10.00 C ATOM 816 O ASP A 53 6.104 5.840 -7.445 1.00 10.00 O ATOM 817 CB ASP A 53 7.673 2.979 -6.696 1.00 10.00 C ATOM 818 CG ASP A 53 8.144 2.212 -7.910 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.336 2.832 -8.978 1.00 10.00 O ATOM 820 OD2 ASP A 53 8.321 0.980 -7.807 1.00 10.00 O ATOM 0 H ASP A 53 8.949 4.394 -4.957 1.00 10.00 H new ATOM 0 HA ASP A 53 8.320 4.698 -7.808 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.158 2.578 -5.806 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.601 2.831 -6.569 1.00 10.00 H new ATOM 825 N ALA A 54 6.293 5.266 -5.269 1.00 10.00 N ATOM 826 CA ALA A 54 5.089 5.964 -4.846 1.00 10.00 C ATOM 827 C ALA A 54 5.236 7.471 -5.036 1.00 10.00 C ATOM 828 O ALA A 54 6.145 8.088 -4.474 1.00 10.00 O ATOM 829 CB ALA A 54 4.776 5.642 -3.391 1.00 10.00 C ATOM 0 H ALA A 54 6.789 4.794 -4.513 1.00 10.00 H new ATOM 0 HA ALA A 54 4.262 5.623 -5.468 1.00 10.00 H new ATOM 0 HB1 ALA A 54 3.873 6.171 -3.087 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.622 4.569 -3.281 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.609 5.956 -2.762 1.00 10.00 H new ATOM 835 N PRO A 55 4.361 8.073 -5.860 1.00 10.00 N ATOM 836 CA PRO A 55 4.382 9.518 -6.122 1.00 10.00 C ATOM 837 C PRO A 55 4.237 10.324 -4.837 1.00 10.00 C ATOM 838 O PRO A 55 3.571 9.886 -3.902 1.00 10.00 O ATOM 839 CB PRO A 55 3.167 9.740 -7.028 1.00 10.00 C ATOM 840 CG PRO A 55 2.871 8.412 -7.626 1.00 10.00 C ATOM 841 CD PRO A 55 3.292 7.392 -6.607 1.00 10.00 C ATOM 0 HA PRO A 55 5.322 9.841 -6.570 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.316 10.113 -6.459 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.382 10.479 -7.800 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.810 8.317 -7.857 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.415 8.276 -8.561 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.465 7.110 -5.956 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.652 6.478 -7.079 1.00 10.00 H new ATOM 849 N LYS A 56 4.840 11.508 -4.805 1.00 10.00 N ATOM 850 CA LYS A 56 4.797 12.374 -3.625 1.00 10.00 C ATOM 851 C LYS A 56 3.363 12.679 -3.197 1.00 10.00 C ATOM 852 O LYS A 56 3.076 12.793 -2.005 1.00 10.00 O ATOM 853 CB LYS A 56 5.566 13.666 -3.904 1.00 10.00 C ATOM 854 CG LYS A 56 7.055 13.433 -4.111 1.00 10.00 C ATOM 855 CD LYS A 56 7.736 14.626 -4.758 1.00 10.00 C ATOM 856 CE LYS A 56 9.181 14.304 -5.102 1.00 10.00 C ATOM 857 NZ LYS A 56 9.836 15.398 -5.859 1.00 10.00 N ATOM 0 H LYS A 56 5.369 11.895 -5.587 1.00 10.00 H new ATOM 0 HA LYS A 56 5.272 11.845 -2.799 1.00 10.00 H new ATOM 0 HB2 LYS A 56 5.151 14.146 -4.790 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.423 14.355 -3.072 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.526 13.225 -3.150 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.200 12.551 -4.735 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.198 14.911 -5.662 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.700 15.481 -4.083 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.738 14.116 -4.184 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.217 13.387 -5.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.819 15.133 -6.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.322 15.561 -6.748 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.827 16.268 -5.289 1.00 10.00 H new ATOM 871 N GLU A 57 2.465 12.799 -4.168 1.00 10.00 N ATOM 872 CA GLU A 57 1.060 13.063 -3.882 1.00 10.00 C ATOM 873 C GLU A 57 0.460 11.918 -3.073 1.00 10.00 C ATOM 874 O GLU A 57 -0.153 12.132 -2.025 1.00 10.00 O ATOM 875 CB GLU A 57 0.279 13.237 -5.186 1.00 10.00 C ATOM 876 CG GLU A 57 -1.222 13.387 -4.984 1.00 10.00 C ATOM 877 CD GLU A 57 -2.022 13.073 -6.233 1.00 10.00 C ATOM 878 OE1 GLU A 57 -2.019 11.903 -6.671 1.00 10.00 O ATOM 879 OE2 GLU A 57 -2.669 13.987 -6.775 1.00 10.00 O ATOM 0 H GLU A 57 2.685 12.718 -5.161 1.00 10.00 H new ATOM 0 HA GLU A 57 0.993 13.982 -3.300 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.656 14.115 -5.711 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.466 12.377 -5.829 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.542 12.726 -4.178 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.440 14.407 -4.666 1.00 10.00 H new ATOM 886 N LEU A 58 0.668 10.698 -3.559 1.00 10.00 N ATOM 887 CA LEU A 58 0.150 9.507 -2.900 1.00 10.00 C ATOM 888 C LEU A 58 0.917 9.226 -1.616 1.00 10.00 C ATOM 889 O LEU A 58 0.349 8.740 -0.639 1.00 10.00 O ATOM 890 CB LEU A 58 0.219 8.301 -3.839 1.00 10.00 C ATOM 891 CG LEU A 58 -0.614 8.427 -5.117 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.571 7.134 -5.918 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.050 8.803 -4.782 1.00 10.00 C ATOM 0 H LEU A 58 1.195 10.509 -4.412 1.00 10.00 H new ATOM 0 HA LEU A 58 -0.894 9.686 -2.643 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.260 8.135 -4.117 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.111 7.416 -3.294 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.184 9.220 -5.729 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.170 7.246 -6.822 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.460 6.909 -6.191 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.973 6.319 -5.316 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.628 8.888 -5.702 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.489 8.033 -4.148 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.063 9.757 -4.256 1.00 10.00 H new ATOM 905 N LEU A 59 2.206 9.544 -1.621 1.00 10.00 N ATOM 906 CA LEU A 59 3.055 9.346 -0.452 1.00 10.00 C ATOM 907 C LEU A 59 2.544 10.184 0.712 1.00 10.00 C ATOM 908 O LEU A 59 2.585 9.760 1.869 1.00 10.00 O ATOM 909 CB LEU A 59 4.505 9.720 -0.777 1.00 10.00 C ATOM 910 CG LEU A 59 5.544 9.244 0.239 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.711 7.733 0.165 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.876 9.942 0.002 1.00 10.00 C ATOM 0 H LEU A 59 2.689 9.942 -2.426 1.00 10.00 H new ATOM 0 HA LEU A 59 3.023 8.294 -0.170 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.760 9.308 -1.753 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.573 10.805 -0.862 1.00 10.00 H new ATOM 0 HG LEU A 59 5.193 9.501 1.238 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.454 7.413 0.895 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.758 7.251 0.382 1.00 10.00 H new ATOM 0 HD13 LEU A 59 6.041 7.452 -0.835 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.605 9.593 0.733 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.232 9.715 -1.003 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.746 11.019 0.106 1.00 10.00 H new ATOM 924 N GLN A 60 2.046 11.371 0.387 1.00 10.00 N ATOM 925 CA GLN A 60 1.502 12.277 1.387 1.00 10.00 C ATOM 926 C GLN A 60 0.190 11.718 1.932 1.00 10.00 C ATOM 927 O GLN A 60 -0.120 11.869 3.114 1.00 10.00 O ATOM 928 CB GLN A 60 1.271 13.660 0.779 1.00 10.00 C ATOM 929 CG GLN A 60 1.176 14.775 1.811 1.00 10.00 C ATOM 930 CD GLN A 60 2.475 14.994 2.564 1.00 10.00 C ATOM 931 OE1 GLN A 60 3.597 14.802 1.888 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 2.471 15.344 3.746 1.00 10.00 N flip ATOM 0 H GLN A 60 2.008 11.729 -0.568 1.00 10.00 H new ATOM 0 HA GLN A 60 2.217 12.371 2.205 1.00 10.00 H new ATOM 0 HB2 GLN A 60 2.085 13.884 0.089 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.352 13.640 0.193 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.890 15.701 1.313 1.00 10.00 H new ATOM 0 HG3 GLN A 60 0.385 14.538 2.522 1.00 10.00 H new ATOM 0 HE21 GLN A 60 1.586 15.482 4.234 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.353 15.496 4.236 1.00 10.00 H new ATOM 941 N MET A 61 -0.567 11.053 1.063 1.00 10.00 N ATOM 942 CA MET A 61 -1.835 10.452 1.457 1.00 10.00 C ATOM 943 C MET A 61 -1.578 9.286 2.403 1.00 10.00 C ATOM 944 O MET A 61 -2.381 8.995 3.288 1.00 10.00 O ATOM 945 CB MET A 61 -2.611 9.963 0.232 1.00 10.00 C ATOM 946 CG MET A 61 -2.994 11.070 -0.739 1.00 10.00 C ATOM 947 SD MET A 61 -3.902 10.456 -2.173 1.00 10.00 S ATOM 948 CE MET A 61 -5.471 10.021 -1.423 1.00 10.00 C ATOM 0 H MET A 61 -0.323 10.918 0.082 1.00 10.00 H new ATOM 0 HA MET A 61 -2.434 11.209 1.963 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.009 9.223 -0.295 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.517 9.457 0.566 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.602 11.810 -0.219 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.092 11.580 -1.077 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.216 9.864 -2.203 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.355 9.106 -0.842 1.00 10.00 H new ATOM 0 HE3 MET A 61 -5.797 10.828 -0.767 1.00 10.00 H new ATOM 958 N LEU A 62 -0.444 8.621 2.204 1.00 10.00 N ATOM 959 CA LEU A 62 -0.057 7.488 3.036 1.00 10.00 C ATOM 960 C LEU A 62 0.334 7.958 4.433 1.00 10.00 C ATOM 961 O LEU A 62 0.216 7.212 5.401 1.00 10.00 O ATOM 962 CB LEU A 62 1.106 6.724 2.396 1.00 10.00 C ATOM 963 CG LEU A 62 0.758 5.957 1.117 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.022 5.462 0.431 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.166 4.787 1.429 1.00 10.00 C ATOM 0 H LEU A 62 0.226 8.849 1.469 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.913 6.819 3.119 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.904 7.431 2.170 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.502 6.019 3.127 1.00 10.00 H new ATOM 0 HG LEU A 62 0.240 6.637 0.441 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.755 4.919 -0.476 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.653 6.313 0.173 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.565 4.799 1.104 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.402 4.254 0.508 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.328 4.108 2.124 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.086 5.160 1.878 1.00 10.00 H new ATOM 977 N GLU A 63 0.784 9.203 4.531 1.00 10.00 N ATOM 978 CA GLU A 63 1.185 9.778 5.812 1.00 10.00 C ATOM 979 C GLU A 63 -0.015 9.889 6.749 1.00 10.00 C ATOM 980 O GLU A 63 0.114 9.763 7.968 1.00 10.00 O ATOM 981 CB GLU A 63 1.807 11.163 5.605 1.00 10.00 C ATOM 982 CG GLU A 63 3.071 11.148 4.759 1.00 10.00 C ATOM 983 CD GLU A 63 4.250 10.541 5.489 1.00 10.00 C ATOM 984 OE1 GLU A 63 5.242 11.256 5.727 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.195 9.341 5.826 1.00 10.00 O ATOM 0 H GLU A 63 0.881 9.836 3.737 1.00 10.00 H new ATOM 0 HA GLU A 63 1.926 9.118 6.263 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.072 11.814 5.132 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.037 11.597 6.578 1.00 10.00 H new ATOM 0 HG2 GLU A 63 2.885 10.585 3.844 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.317 12.167 4.462 1.00 10.00 H new ATOM 992 N LYS A 64 -1.183 10.109 6.166 1.00 10.00 N ATOM 993 CA LYS A 64 -2.410 10.247 6.937 1.00 10.00 C ATOM 994 C LYS A 64 -2.980 8.882 7.316 1.00 10.00 C ATOM 995 O LYS A 64 -3.932 8.787 8.093 1.00 10.00 O ATOM 996 CB LYS A 64 -3.435 11.047 6.136 1.00 10.00 C ATOM 997 CG LYS A 64 -2.910 12.394 5.665 1.00 10.00 C ATOM 998 CD LYS A 64 -3.960 13.160 4.877 1.00 10.00 C ATOM 999 CE LYS A 64 -3.437 14.515 4.417 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.493 15.327 3.749 1.00 10.00 N ATOM 0 H LYS A 64 -1.308 10.196 5.157 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.179 10.779 7.860 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.746 10.463 5.270 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.322 11.205 6.749 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.598 12.985 6.526 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.026 12.244 5.045 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.265 12.574 4.010 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.847 13.302 5.494 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.048 15.063 5.275 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.605 14.367 3.729 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.093 16.240 3.453 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -4.847 14.817 2.915 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.276 15.491 4.413 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.395 7.826 6.767 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.841 6.468 7.051 1.00 10.00 C ATOM 1016 C GLN A 65 -1.738 5.685 7.754 1.00 10.00 C ATOM 1017 O GLN A 65 -1.893 4.500 8.059 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.252 5.756 5.759 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.479 6.357 5.096 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.749 6.118 5.891 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.102 6.898 6.779 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.447 5.039 5.574 1.00 10.00 N ATOM 0 H GLN A 65 -1.608 7.884 6.121 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.708 6.521 7.709 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.419 5.786 5.057 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.446 4.706 5.979 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.330 7.429 4.970 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.594 5.932 4.099 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.120 4.420 4.833 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.312 4.827 6.071 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.625 6.358 8.008 1.00 10.00 N ATOM 1032 CA LYS A 66 0.513 5.739 8.675 1.00 10.00 C ATOM 1033 C LYS A 66 0.195 5.512 10.147 1.00 10.00 C ATOM 1034 O LYS A 66 -0.204 6.437 10.858 1.00 10.00 O ATOM 1035 CB LYS A 66 1.758 6.616 8.525 1.00 10.00 C ATOM 1036 CG LYS A 66 3.035 5.956 9.013 1.00 10.00 C ATOM 1037 CD LYS A 66 4.264 6.668 8.473 1.00 10.00 C ATOM 1038 CE LYS A 66 4.356 8.098 8.984 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.320 8.903 8.196 1.00 10.00 N ATOM 0 H LYS A 66 -0.485 7.338 7.761 1.00 10.00 H new ATOM 0 HA LYS A 66 0.713 4.775 8.208 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.877 6.885 7.475 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.606 7.544 9.076 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.057 5.963 10.103 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.050 4.912 8.700 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.160 6.119 8.764 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.233 6.672 7.383 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.372 8.564 8.940 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.659 8.091 10.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 5.256 9.900 8.484 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 6.285 8.554 8.367 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.096 8.820 7.184 1.00 10.00 H new ATOM 1053 N LYS A 67 0.369 4.280 10.598 1.00 10.00 N ATOM 1054 CA LYS A 67 0.083 3.929 11.982 1.00 10.00 C ATOM 1055 C LYS A 67 1.219 3.099 12.565 1.00 10.00 C ATOM 1056 O LYS A 67 2.200 2.804 11.870 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.242 3.161 12.070 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.457 3.982 11.655 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.707 3.121 11.561 1.00 10.00 C ATOM 1060 CE LYS A 67 -4.929 3.947 11.185 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.141 3.106 10.978 1.00 10.00 N ATOM 0 H LYS A 67 0.707 3.505 10.027 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.007 4.846 12.564 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.181 2.275 11.438 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.382 2.813 13.093 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.619 4.783 12.376 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.266 4.454 10.691 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.555 2.337 10.819 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -3.881 2.626 12.516 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.126 4.677 11.970 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.719 4.508 10.274 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -6.929 3.705 10.658 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.942 2.382 10.258 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.399 2.643 11.873 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.615 -13.247 -1.570 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.584 -12.247 -1.782 1.00 10.00 C ATOM 1107 C GLU B 6 0.554 -12.376 -0.774 1.00 10.00 C ATOM 1108 O GLU B 6 0.331 -12.401 0.439 1.00 10.00 O ATOM 1109 CB GLU B 6 -1.188 -10.841 -1.719 1.00 10.00 C ATOM 1110 CG GLU B 6 -2.061 -10.584 -0.495 1.00 10.00 C ATOM 1111 CD GLU B 6 -3.493 -11.059 -0.671 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -4.189 -10.527 -1.555 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.924 -11.961 0.081 1.00 10.00 O ATOM 0 HA GLU B 6 -0.165 -12.416 -2.774 1.00 10.00 H new ATOM 0 HB2 GLU B 6 -0.379 -10.110 -1.733 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.784 -10.674 -2.616 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -1.622 -11.085 0.368 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -2.064 -9.516 -0.276 1.00 10.00 H new ATOM 1120 N GLU B 7 1.769 -12.478 -1.289 1.00 10.00 N ATOM 1121 CA GLU B 7 2.953 -12.584 -0.455 1.00 10.00 C ATOM 1122 C GLU B 7 4.016 -11.623 -0.960 1.00 10.00 C ATOM 1123 O GLU B 7 3.915 -11.112 -2.079 1.00 10.00 O ATOM 1124 CB GLU B 7 3.490 -14.019 -0.451 1.00 10.00 C ATOM 1125 CG GLU B 7 2.596 -14.994 0.301 1.00 10.00 C ATOM 1126 CD GLU B 7 3.186 -16.383 0.386 1.00 10.00 C ATOM 1127 OE1 GLU B 7 4.003 -16.634 1.298 1.00 10.00 O ATOM 1128 OE2 GLU B 7 2.828 -17.238 -0.452 1.00 10.00 O ATOM 0 H GLU B 7 1.961 -12.490 -2.291 1.00 10.00 H new ATOM 0 HA GLU B 7 2.687 -12.322 0.569 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.603 -14.360 -1.480 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.483 -14.027 -0.002 1.00 10.00 H new ATOM 0 HG2 GLU B 7 2.421 -14.616 1.308 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.626 -15.046 -0.193 1.00 10.00 H new ATOM 1135 N GLU B 8 5.024 -11.369 -0.139 1.00 10.00 N ATOM 1136 CA GLU B 8 6.097 -10.459 -0.509 1.00 10.00 C ATOM 1137 C GLU B 8 7.445 -11.155 -0.426 1.00 10.00 C ATOM 1138 O GLU B 8 7.538 -12.309 -0.001 1.00 10.00 O ATOM 1139 CB GLU B 8 6.101 -9.221 0.394 1.00 10.00 C ATOM 1140 CG GLU B 8 4.758 -8.515 0.481 1.00 10.00 C ATOM 1141 CD GLU B 8 4.563 -7.797 1.801 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.601 -6.552 1.822 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.388 -8.482 2.830 1.00 10.00 O ATOM 0 H GLU B 8 5.121 -11.781 0.789 1.00 10.00 H new ATOM 0 HA GLU B 8 5.923 -10.143 -1.538 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.410 -9.516 1.397 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.847 -8.517 0.025 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.675 -7.797 -0.335 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.959 -9.244 0.346 1.00 10.00 H new ATOM 1150 N GLY B 9 8.484 -10.445 -0.836 1.00 10.00 N ATOM 1151 CA GLY B 9 9.823 -10.987 -0.809 1.00 10.00 C ATOM 1152 C GLY B 9 10.818 -10.004 -1.376 1.00 10.00 C ATOM 1153 O GLY B 9 11.436 -10.252 -2.412 1.00 10.00 O ATOM 0 H GLY B 9 8.420 -9.491 -1.191 1.00 10.00 H new ATOM 0 HA2 GLY B 9 10.097 -11.236 0.216 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.855 -11.914 -1.382 1.00 10.00 H new ATOM 1157 N GLU B 10 10.955 -8.879 -0.700 1.00 10.00 N ATOM 1158 CA GLU B 10 11.856 -7.828 -1.133 1.00 10.00 C ATOM 1159 C GLU B 10 13.112 -7.819 -0.279 1.00 10.00 C ATOM 1160 O GLU B 10 13.038 -7.839 0.950 1.00 10.00 O ATOM 1161 CB GLU B 10 11.158 -6.469 -1.033 1.00 10.00 C ATOM 1162 CG GLU B 10 10.441 -6.027 -2.303 1.00 10.00 C ATOM 1163 CD GLU B 10 9.729 -7.166 -3.014 1.00 10.00 C ATOM 1164 OE1 GLU B 10 10.159 -7.532 -4.128 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.750 -7.713 -2.460 1.00 10.00 O ATOM 0 H GLU B 10 10.448 -8.669 0.160 1.00 10.00 H new ATOM 0 HA GLU B 10 12.136 -8.017 -2.169 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.435 -6.506 -0.218 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.898 -5.714 -0.768 1.00 10.00 H new ATOM 0 HG2 GLU B 10 9.715 -5.253 -2.053 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.164 -5.578 -2.984 1.00 10.00 H new ATOM 1172 N GLU B 11 14.261 -7.797 -0.930 1.00 10.00 N ATOM 1173 CA GLU B 11 15.525 -7.765 -0.224 1.00 10.00 C ATOM 1174 C GLU B 11 15.904 -6.318 0.067 1.00 10.00 C ATOM 1175 O GLU B 11 15.928 -5.477 -0.836 1.00 10.00 O ATOM 1176 CB GLU B 11 16.619 -8.460 -1.039 1.00 10.00 C ATOM 1177 CG GLU B 11 17.923 -8.640 -0.276 1.00 10.00 C ATOM 1178 CD GLU B 11 17.719 -9.277 1.083 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.633 -8.535 2.083 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.638 -10.520 1.160 1.00 10.00 O ATOM 0 H GLU B 11 14.343 -7.801 -1.947 1.00 10.00 H new ATOM 0 HA GLU B 11 15.422 -8.303 0.718 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.257 -9.437 -1.359 1.00 10.00 H new ATOM 0 HB3 GLU B 11 16.812 -7.880 -1.941 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.602 -9.257 -0.864 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.403 -7.670 -0.150 1.00 10.00 H new ATOM 1187 N TYR B 12 16.179 -6.027 1.326 1.00 10.00 N ATOM 1188 CA TYR B 12 16.543 -4.678 1.735 1.00 10.00 C ATOM 1189 C TYR B 12 18.044 -4.455 1.592 1.00 10.00 C ATOM 1190 O TYR B 12 18.722 -5.168 0.849 1.00 10.00 O ATOM 1191 CB TYR B 12 16.116 -4.428 3.180 1.00 10.00 C ATOM 1192 CG TYR B 12 15.721 -2.994 3.458 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.652 -1.966 3.374 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.418 -2.670 3.810 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.297 -0.658 3.635 1.00 10.00 C ATOM 1196 CE2 TYR B 12 14.053 -1.362 4.070 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.996 -0.360 3.981 1.00 10.00 C ATOM 1198 OH TYR B 12 14.640 0.943 4.245 1.00 10.00 O ATOM 0 H TYR B 12 16.158 -6.707 2.086 1.00 10.00 H new ATOM 0 HA TYR B 12 16.024 -3.975 1.084 1.00 10.00 H new ATOM 0 HB2 TYR B 12 15.276 -5.080 3.419 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.934 -4.706 3.845 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.671 -2.194 3.100 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.677 -3.452 3.882 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.035 0.128 3.569 1.00 10.00 H new ATOM 0 HE2 TYR B 12 13.035 -1.126 4.341 1.00 10.00 H new ATOM 0 HH TYR B 12 15.340 1.546 3.918 1.00 10.00 H new