USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 84 HIS : no HD1:sc= 1.05 K(o=2.3,f=-7.2!) USER MOD Set 1.2: A 86 THR OG1 : rot -68:sc= 1.23 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -153:sc= 0.85 (180deg=-0.164) USER MOD Set 2.2: A 42 ASN : amide:sc= 1.21 K(o=2.1,f=-1.9) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -170:sc=-0.00279 (180deg=-0.132) USER MOD Single : A 2 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00989 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.23) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0152) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.631 K(o=-0.63,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.695 K(o=-0.7,f=-5.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 55 SER OG : rot 68:sc= 0.0428 USER MOD Single : A 57 SER OG : rot -18:sc= 0.441 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -80:sc= 0.482 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -110:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc=-0.00384 (180deg=-0.138) USER MOD Single : A 78 TYR OH : rot -65:sc= 0.101 USER MOD Single : A 83 ASN : amide:sc= -0.0364 X(o=-0.036,f=-0.39) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0632 X(o=-0.063,f=-0.063) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc=-0.00988 (180deg=-0.0865) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -2.769 -2.901 -0.646 1.00 44.22 N ATOM 2 CA MET A 0 -1.851 -2.840 -1.796 1.00 0.32 C ATOM 3 C MET A 0 -0.445 -3.276 -1.382 1.00 71.51 C ATOM 4 O MET A 0 0.217 -2.573 -0.621 1.00 1.04 O ATOM 5 CB MET A 0 -1.807 -1.429 -2.407 1.00 4.31 C ATOM 6 CG MET A 0 -3.170 -0.898 -2.866 1.00 21.20 C ATOM 7 SD MET A 0 -3.990 -1.858 -4.169 1.00 5.33 S ATOM 8 CE MET A 0 -5.340 -0.718 -4.574 1.00 14.03 C ATOM 0 H1 MET A 0 -3.747 -2.768 -0.975 1.00 44.22 H new ATOM 0 H2 MET A 0 -2.683 -3.828 -0.182 1.00 44.22 H new ATOM 0 H3 MET A 0 -2.527 -2.151 0.032 1.00 44.22 H new ATOM 0 HA MET A 0 -2.228 -3.525 -2.555 1.00 0.32 H new ATOM 0 HB2 MET A 0 -1.391 -0.740 -1.672 1.00 4.31 H new ATOM 0 HB3 MET A 0 -1.127 -1.436 -3.259 1.00 4.31 H new ATOM 0 HG2 MET A 0 -3.832 -0.854 -2.001 1.00 21.20 H new ATOM 0 HG3 MET A 0 -3.040 0.125 -3.221 1.00 21.20 H new ATOM 0 HE1 MET A 0 -5.954 -1.148 -5.365 1.00 14.03 H new ATOM 0 HE2 MET A 0 -5.953 -0.551 -3.688 1.00 14.03 H new ATOM 0 HE3 MET A 0 -4.925 0.232 -4.912 1.00 14.03 H new ATOM 20 N ILE A 1 0.006 -4.435 -1.879 1.00 3.02 N ATOM 21 CA ILE A 1 1.342 -4.958 -1.631 1.00 53.44 C ATOM 22 C ILE A 1 1.720 -5.906 -2.771 1.00 5.50 C ATOM 23 O ILE A 1 0.903 -6.719 -3.199 1.00 2.00 O ATOM 24 CB ILE A 1 1.427 -5.614 -0.239 1.00 13.20 C ATOM 25 CG1 ILE A 1 2.890 -5.968 0.078 1.00 0.42 C ATOM 26 CG2 ILE A 1 0.502 -6.832 -0.111 1.00 0.32 C ATOM 27 CD1 ILE A 1 3.062 -6.574 1.473 1.00 24.31 C ATOM 0 H ILE A 1 -0.561 -5.040 -2.473 1.00 3.02 H new ATOM 0 HA ILE A 1 2.070 -4.147 -1.617 1.00 53.44 H new ATOM 0 HB ILE A 1 1.074 -4.894 0.500 1.00 13.20 H new ATOM 0 HG12 ILE A 1 3.259 -6.672 -0.668 1.00 0.42 H new ATOM 0 HG13 ILE A 1 3.502 -5.070 -0.002 1.00 0.42 H new ATOM 0 HG21 ILE A 1 0.598 -7.259 0.887 1.00 0.32 H new ATOM 0 HG22 ILE A 1 -0.530 -6.524 -0.276 1.00 0.32 H new ATOM 0 HG23 ILE A 1 0.780 -7.580 -0.854 1.00 0.32 H new ATOM 0 HD11 ILE A 1 4.114 -6.804 1.643 1.00 24.31 H new ATOM 0 HD12 ILE A 1 2.721 -5.861 2.224 1.00 24.31 H new ATOM 0 HD13 ILE A 1 2.474 -7.489 1.547 1.00 24.31 H new ATOM 39 N GLN A 2 2.945 -5.756 -3.287 1.00 44.44 N ATOM 40 CA GLN A 2 3.400 -6.387 -4.517 1.00 62.33 C ATOM 41 C GLN A 2 4.219 -7.641 -4.207 1.00 53.03 C ATOM 42 O GLN A 2 5.409 -7.703 -4.512 1.00 33.12 O ATOM 43 CB GLN A 2 4.191 -5.350 -5.330 1.00 32.13 C ATOM 44 CG GLN A 2 3.350 -4.116 -5.691 1.00 74.51 C ATOM 45 CD GLN A 2 2.094 -4.484 -6.482 1.00 64.41 C ATOM 46 OE1 GLN A 2 2.165 -4.721 -7.685 1.00 13.53 O ATOM 47 NE2 GLN A 2 0.940 -4.535 -5.809 1.00 41.51 N ATOM 0 H GLN A 2 3.660 -5.177 -2.845 1.00 44.44 H new ATOM 0 HA GLN A 2 2.551 -6.719 -5.114 1.00 62.33 H new ATOM 0 HB2 GLN A 2 5.064 -5.035 -4.759 1.00 32.13 H new ATOM 0 HB3 GLN A 2 4.559 -5.815 -6.245 1.00 32.13 H new ATOM 0 HG2 GLN A 2 3.062 -3.595 -4.778 1.00 74.51 H new ATOM 0 HG3 GLN A 2 3.956 -3.424 -6.276 1.00 74.51 H new ATOM 0 HE21 GLN A 2 0.923 -4.331 -4.810 1.00 41.51 H new ATOM 0 HE22 GLN A 2 0.077 -4.778 -6.295 1.00 41.51 H new ATOM 56 N ARG A 3 3.569 -8.650 -3.613 1.00 13.05 N ATOM 57 CA ARG A 3 4.202 -9.921 -3.284 1.00 11.03 C ATOM 58 C ARG A 3 4.336 -10.799 -4.531 1.00 63.51 C ATOM 59 O ARG A 3 3.478 -10.774 -5.413 1.00 74.12 O ATOM 60 CB ARG A 3 3.404 -10.662 -2.204 1.00 24.32 C ATOM 61 CG ARG A 3 3.465 -9.956 -0.844 1.00 13.14 C ATOM 62 CD ARG A 3 2.620 -10.693 0.201 1.00 41.31 C ATOM 63 NE ARG A 3 3.128 -12.047 0.466 1.00 42.54 N ATOM 64 CZ ARG A 3 2.413 -13.058 0.990 1.00 52.34 C ATOM 65 NH1 ARG A 3 1.123 -12.902 1.316 1.00 63.44 N ATOM 66 NH2 ARG A 3 2.996 -14.248 1.192 1.00 22.14 N ATOM 0 H ARG A 3 2.585 -8.601 -3.348 1.00 13.05 H new ATOM 0 HA ARG A 3 5.199 -9.709 -2.898 1.00 11.03 H new ATOM 0 HB2 ARG A 3 2.364 -10.748 -2.519 1.00 24.32 H new ATOM 0 HB3 ARG A 3 3.791 -11.676 -2.102 1.00 24.32 H new ATOM 0 HG2 ARG A 3 4.500 -9.901 -0.506 1.00 13.14 H new ATOM 0 HG3 ARG A 3 3.108 -8.931 -0.947 1.00 13.14 H new ATOM 0 HD2 ARG A 3 2.611 -10.121 1.129 1.00 41.31 H new ATOM 0 HD3 ARG A 3 1.588 -10.754 -0.145 1.00 41.31 H new ATOM 0 HE ARG A 3 4.103 -12.235 0.233 1.00 42.54 H new ATOM 0 HH11 ARG A 3 0.665 -12.003 1.168 1.00 63.44 H new ATOM 0 HH12 ARG A 3 0.599 -13.682 1.712 1.00 63.44 H new ATOM 0 HH21 ARG A 3 3.977 -14.383 0.949 1.00 22.14 H new ATOM 0 HH22 ARG A 3 2.458 -15.018 1.589 1.00 22.14 H new ATOM 80 N THR A 4 5.423 -11.579 -4.575 1.00 3.23 N ATOM 81 CA THR A 4 5.765 -12.491 -5.659 1.00 13.14 C ATOM 82 C THR A 4 5.265 -13.908 -5.344 1.00 3.32 C ATOM 83 O THR A 4 5.097 -14.252 -4.173 1.00 71.52 O ATOM 84 CB THR A 4 7.294 -12.500 -5.834 1.00 13.24 C ATOM 85 OG1 THR A 4 7.923 -12.793 -4.602 1.00 45.12 O ATOM 86 CG2 THR A 4 7.803 -11.157 -6.364 1.00 11.12 C ATOM 0 H THR A 4 6.112 -11.588 -3.823 1.00 3.23 H new ATOM 0 HA THR A 4 5.287 -12.157 -6.580 1.00 13.14 H new ATOM 0 HB THR A 4 7.541 -13.272 -6.563 1.00 13.24 H new ATOM 0 HG1 THR A 4 8.895 -12.798 -4.724 1.00 45.12 H new ATOM 0 HG21 THR A 4 8.886 -11.197 -6.476 1.00 11.12 H new ATOM 0 HG22 THR A 4 7.345 -10.951 -7.332 1.00 11.12 H new ATOM 0 HG23 THR A 4 7.540 -10.366 -5.662 1.00 11.12 H new ATOM 94 N PRO A 5 5.055 -14.751 -6.370 1.00 13.44 N ATOM 95 CA PRO A 5 4.744 -16.164 -6.204 1.00 31.35 C ATOM 96 C PRO A 5 5.990 -16.912 -5.727 1.00 40.23 C ATOM 97 O PRO A 5 7.043 -16.831 -6.357 1.00 52.21 O ATOM 98 CB PRO A 5 4.299 -16.653 -7.586 1.00 3.31 C ATOM 99 CG PRO A 5 5.020 -15.712 -8.547 1.00 2.13 C ATOM 100 CD PRO A 5 5.075 -14.393 -7.779 1.00 12.20 C ATOM 0 HA PRO A 5 3.965 -16.335 -5.461 1.00 31.35 H new ATOM 0 HB2 PRO A 5 4.582 -17.692 -7.754 1.00 3.31 H new ATOM 0 HB3 PRO A 5 3.217 -16.594 -7.703 1.00 3.31 H new ATOM 0 HG2 PRO A 5 6.018 -16.076 -8.792 1.00 2.13 H new ATOM 0 HG3 PRO A 5 4.479 -15.607 -9.487 1.00 2.13 H new ATOM 0 HD2 PRO A 5 5.977 -13.834 -8.027 1.00 12.20 H new ATOM 0 HD3 PRO A 5 4.226 -13.758 -8.033 1.00 12.20 H new ATOM 108 N LYS A 6 5.863 -17.641 -4.611 1.00 12.25 N ATOM 109 CA LYS A 6 6.930 -18.466 -4.070 1.00 31.55 C ATOM 110 C LYS A 6 6.953 -19.792 -4.830 1.00 13.12 C ATOM 111 O LYS A 6 6.081 -20.635 -4.627 1.00 55.24 O ATOM 112 CB LYS A 6 6.709 -18.682 -2.567 1.00 53.35 C ATOM 113 CG LYS A 6 7.879 -19.463 -1.955 1.00 2.20 C ATOM 114 CD LYS A 6 7.621 -19.738 -0.471 1.00 1.41 C ATOM 115 CE LYS A 6 8.727 -20.629 0.104 1.00 45.32 C ATOM 116 NZ LYS A 6 8.430 -21.021 1.492 1.00 20.13 N ATOM 0 H LYS A 6 5.005 -17.669 -4.059 1.00 12.25 H new ATOM 0 HA LYS A 6 7.895 -17.974 -4.193 1.00 31.55 H new ATOM 0 HB2 LYS A 6 6.607 -17.719 -2.067 1.00 53.35 H new ATOM 0 HB3 LYS A 6 5.778 -19.225 -2.405 1.00 53.35 H new ATOM 0 HG2 LYS A 6 8.014 -20.404 -2.487 1.00 2.20 H new ATOM 0 HG3 LYS A 6 8.803 -18.896 -2.071 1.00 2.20 H new ATOM 0 HD2 LYS A 6 7.580 -18.798 0.078 1.00 1.41 H new ATOM 0 HD3 LYS A 6 6.653 -20.223 -0.347 1.00 1.41 H new ATOM 0 HE2 LYS A 6 8.836 -21.521 -0.513 1.00 45.32 H new ATOM 0 HE3 LYS A 6 9.679 -20.099 0.069 1.00 45.32 H new ATOM 0 HZ1 LYS A 6 9.196 -21.624 1.854 1.00 20.13 H new ATOM 0 HZ2 LYS A 6 8.350 -20.169 2.084 1.00 20.13 H new ATOM 0 HZ3 LYS A 6 7.533 -21.547 1.520 1.00 20.13 H new ATOM 130 N ILE A 7 7.953 -19.970 -5.701 1.00 0.40 N ATOM 131 CA ILE A 7 8.095 -21.164 -6.520 1.00 1.42 C ATOM 132 C ILE A 7 8.462 -22.375 -5.657 1.00 2.44 C ATOM 133 O ILE A 7 9.407 -22.326 -4.870 1.00 41.03 O ATOM 134 CB ILE A 7 9.087 -20.927 -7.676 1.00 20.13 C ATOM 135 CG1 ILE A 7 10.510 -20.587 -7.189 1.00 42.11 C ATOM 136 CG2 ILE A 7 8.522 -19.836 -8.600 1.00 63.53 C ATOM 137 CD1 ILE A 7 11.501 -20.428 -8.342 1.00 42.23 C ATOM 0 H ILE A 7 8.689 -19.280 -5.853 1.00 0.40 H new ATOM 0 HA ILE A 7 7.133 -21.389 -6.981 1.00 1.42 H new ATOM 0 HB ILE A 7 9.193 -21.858 -8.233 1.00 20.13 H new ATOM 0 HG12 ILE A 7 10.481 -19.665 -6.609 1.00 42.11 H new ATOM 0 HG13 ILE A 7 10.859 -21.373 -6.520 1.00 42.11 H new ATOM 0 HG21 ILE A 7 9.216 -19.660 -9.422 1.00 63.53 H new ATOM 0 HG22 ILE A 7 7.561 -20.159 -9.000 1.00 63.53 H new ATOM 0 HG23 ILE A 7 8.388 -18.914 -8.035 1.00 63.53 H new ATOM 0 HD11 ILE A 7 12.487 -20.189 -7.944 1.00 42.23 H new ATOM 0 HD12 ILE A 7 11.554 -21.358 -8.908 1.00 42.23 H new ATOM 0 HD13 ILE A 7 11.170 -19.623 -8.998 1.00 42.23 H new ATOM 149 N GLN A 8 7.682 -23.453 -5.795 1.00 44.13 N ATOM 150 CA GLN A 8 7.863 -24.715 -5.093 1.00 31.10 C ATOM 151 C GLN A 8 7.361 -25.824 -6.018 1.00 21.44 C ATOM 152 O GLN A 8 6.234 -26.288 -5.861 1.00 42.52 O ATOM 153 CB GLN A 8 7.076 -24.711 -3.772 1.00 14.53 C ATOM 154 CG GLN A 8 7.576 -23.682 -2.752 1.00 41.35 C ATOM 155 CD GLN A 8 6.779 -23.762 -1.453 1.00 23.14 C ATOM 156 OE1 GLN A 8 6.085 -22.815 -1.088 1.00 31.15 O ATOM 157 NE2 GLN A 8 6.876 -24.894 -0.752 1.00 31.13 N ATOM 0 H GLN A 8 6.879 -23.464 -6.424 1.00 44.13 H new ATOM 0 HA GLN A 8 8.913 -24.872 -4.845 1.00 31.10 H new ATOM 0 HB2 GLN A 8 6.026 -24.514 -3.987 1.00 14.53 H new ATOM 0 HB3 GLN A 8 7.129 -25.704 -3.326 1.00 14.53 H new ATOM 0 HG2 GLN A 8 8.632 -23.854 -2.545 1.00 41.35 H new ATOM 0 HG3 GLN A 8 7.493 -22.680 -3.172 1.00 41.35 H new ATOM 0 HE21 GLN A 8 7.464 -25.655 -1.092 1.00 31.13 H new ATOM 0 HE22 GLN A 8 6.362 -24.998 0.123 1.00 31.13 H new ATOM 166 N VAL A 9 8.183 -26.216 -7.001 1.00 72.41 N ATOM 167 CA VAL A 9 7.808 -27.158 -8.049 1.00 53.03 C ATOM 168 C VAL A 9 8.375 -28.538 -7.735 1.00 35.43 C ATOM 169 O VAL A 9 9.507 -28.850 -8.101 1.00 72.42 O ATOM 170 CB VAL A 9 8.303 -26.654 -9.408 1.00 41.25 C ATOM 171 CG1 VAL A 9 7.888 -27.607 -10.536 1.00 21.20 C ATOM 172 CG2 VAL A 9 7.746 -25.258 -9.707 1.00 42.34 C ATOM 0 H VAL A 9 9.142 -25.878 -7.086 1.00 72.41 H new ATOM 0 HA VAL A 9 6.722 -27.238 -8.092 1.00 53.03 H new ATOM 0 HB VAL A 9 9.391 -26.609 -9.359 1.00 41.25 H new ATOM 0 HG11 VAL A 9 8.253 -27.224 -11.489 1.00 21.20 H new ATOM 0 HG12 VAL A 9 8.315 -28.593 -10.354 1.00 21.20 H new ATOM 0 HG13 VAL A 9 6.801 -27.682 -10.568 1.00 21.20 H new ATOM 0 HG21 VAL A 9 8.111 -24.921 -10.677 1.00 42.34 H new ATOM 0 HG22 VAL A 9 6.657 -25.297 -9.723 1.00 42.34 H new ATOM 0 HG23 VAL A 9 8.073 -24.562 -8.934 1.00 42.34 H new ATOM 182 N TYR A 10 7.572 -29.350 -7.045 1.00 35.45 N ATOM 183 CA TYR A 10 7.943 -30.690 -6.602 1.00 52.05 C ATOM 184 C TYR A 10 7.073 -31.752 -7.279 1.00 24.25 C ATOM 185 O TYR A 10 5.974 -31.454 -7.742 1.00 62.44 O ATOM 186 CB TYR A 10 7.858 -30.767 -5.069 1.00 20.22 C ATOM 187 CG TYR A 10 6.497 -30.507 -4.452 1.00 0.41 C ATOM 188 CD1 TYR A 10 5.663 -31.588 -4.110 1.00 54.14 C ATOM 189 CD2 TYR A 10 6.118 -29.198 -4.098 1.00 33.42 C ATOM 190 CE1 TYR A 10 4.445 -31.360 -3.449 1.00 44.21 C ATOM 191 CE2 TYR A 10 4.887 -28.966 -3.458 1.00 22.11 C ATOM 192 CZ TYR A 10 4.047 -30.047 -3.139 1.00 63.14 C ATOM 193 OH TYR A 10 2.844 -29.828 -2.534 1.00 55.03 O ATOM 0 H TYR A 10 6.625 -29.086 -6.774 1.00 35.45 H new ATOM 0 HA TYR A 10 8.972 -30.894 -6.897 1.00 52.05 H new ATOM 0 HB2 TYR A 10 8.190 -31.758 -4.758 1.00 20.22 H new ATOM 0 HB3 TYR A 10 8.564 -30.049 -4.652 1.00 20.22 H new ATOM 0 HD1 TYR A 10 5.961 -32.596 -4.357 1.00 54.14 H new ATOM 0 HD2 TYR A 10 6.775 -28.369 -4.319 1.00 33.42 H new ATOM 0 HE1 TYR A 10 3.814 -32.193 -3.179 1.00 44.21 H new ATOM 0 HE2 TYR A 10 4.587 -27.958 -3.212 1.00 22.11 H new ATOM 0 HH TYR A 10 2.721 -28.867 -2.388 1.00 55.03 H new ATOM 203 N SER A 11 7.567 -32.996 -7.323 1.00 41.11 N ATOM 204 CA SER A 11 6.826 -34.144 -7.820 1.00 62.32 C ATOM 205 C SER A 11 6.026 -34.772 -6.680 1.00 63.41 C ATOM 206 O SER A 11 6.522 -34.896 -5.561 1.00 31.50 O ATOM 207 CB SER A 11 7.788 -35.170 -8.428 1.00 74.14 C ATOM 208 OG SER A 11 8.731 -35.615 -7.476 1.00 3.15 O ATOM 0 H SER A 11 8.509 -33.228 -7.007 1.00 41.11 H new ATOM 0 HA SER A 11 6.136 -33.817 -8.597 1.00 62.32 H new ATOM 0 HB2 SER A 11 7.223 -36.021 -8.809 1.00 74.14 H new ATOM 0 HB3 SER A 11 8.307 -34.726 -9.278 1.00 74.14 H new ATOM 0 HG SER A 11 9.331 -36.270 -7.891 1.00 3.15 H new ATOM 214 N ARG A 12 4.793 -35.187 -6.978 1.00 73.45 N ATOM 215 CA ARG A 12 3.944 -35.919 -6.052 1.00 32.32 C ATOM 216 C ARG A 12 4.490 -37.340 -5.912 1.00 73.41 C ATOM 217 O ARG A 12 4.842 -37.768 -4.814 1.00 44.42 O ATOM 218 CB ARG A 12 2.494 -35.917 -6.566 1.00 24.13 C ATOM 219 CG ARG A 12 1.522 -36.699 -5.673 1.00 64.14 C ATOM 220 CD ARG A 12 1.361 -36.076 -4.283 1.00 44.43 C ATOM 221 NE ARG A 12 0.420 -36.849 -3.465 1.00 55.43 N ATOM 222 CZ ARG A 12 0.706 -38.006 -2.842 1.00 71.23 C ATOM 223 NH1 ARG A 12 1.931 -38.550 -2.917 1.00 32.42 N ATOM 224 NH2 ARG A 12 -0.250 -38.624 -2.134 1.00 45.01 N ATOM 0 H ARG A 12 4.355 -35.019 -7.884 1.00 73.45 H new ATOM 0 HA ARG A 12 3.946 -35.445 -5.071 1.00 32.32 H new ATOM 0 HB2 ARG A 12 2.149 -34.886 -6.649 1.00 24.13 H new ATOM 0 HB3 ARG A 12 2.473 -36.342 -7.570 1.00 24.13 H new ATOM 0 HG2 ARG A 12 0.548 -36.747 -6.159 1.00 64.14 H new ATOM 0 HG3 ARG A 12 1.877 -37.724 -5.568 1.00 64.14 H new ATOM 0 HD2 ARG A 12 2.330 -36.033 -3.786 1.00 44.43 H new ATOM 0 HD3 ARG A 12 1.006 -35.050 -4.380 1.00 44.43 H new ATOM 0 HE ARG A 12 -0.525 -36.480 -3.361 1.00 55.43 H new ATOM 0 HH11 ARG A 12 2.664 -38.085 -3.453 1.00 32.42 H new ATOM 0 HH12 ARG A 12 2.129 -39.428 -2.438 1.00 32.42 H new ATOM 0 HH21 ARG A 12 -1.183 -38.216 -2.072 1.00 45.01 H new ATOM 0 HH22 ARG A 12 -0.045 -39.502 -1.657 1.00 45.01 H new ATOM 238 N HIS A 13 4.544 -38.058 -7.040 1.00 75.14 N ATOM 239 CA HIS A 13 4.990 -39.440 -7.143 1.00 31.41 C ATOM 240 C HIS A 13 6.438 -39.482 -7.645 1.00 34.10 C ATOM 241 O HIS A 13 6.866 -38.559 -8.337 1.00 13.33 O ATOM 242 CB HIS A 13 4.049 -40.156 -8.115 1.00 11.31 C ATOM 243 CG HIS A 13 2.639 -40.226 -7.595 1.00 12.32 C ATOM 244 ND1 HIS A 13 2.242 -41.157 -6.647 1.00 54.05 N ATOM 245 CD2 HIS A 13 1.531 -39.451 -7.830 1.00 71.12 C ATOM 246 CE1 HIS A 13 0.955 -40.904 -6.357 1.00 20.34 C ATOM 247 NE2 HIS A 13 0.462 -39.870 -7.043 1.00 41.13 N ATOM 0 H HIS A 13 4.265 -37.669 -7.941 1.00 75.14 H new ATOM 0 HA HIS A 13 4.965 -39.935 -6.172 1.00 31.41 H new ATOM 0 HB2 HIS A 13 4.055 -39.636 -9.073 1.00 11.31 H new ATOM 0 HB3 HIS A 13 4.418 -41.165 -8.297 1.00 11.31 H new ATOM 0 HD2 HIS A 13 1.494 -38.629 -8.529 1.00 71.12 H new ATOM 0 HE1 HIS A 13 0.380 -41.476 -5.644 1.00 20.34 H new ATOM 0 HE2 HIS A 13 -0.479 -39.478 -7.000 1.00 41.13 H new ATOM 255 N PRO A 14 7.203 -40.535 -7.311 1.00 55.44 N ATOM 256 CA PRO A 14 8.608 -40.648 -7.671 1.00 13.02 C ATOM 257 C PRO A 14 8.773 -40.802 -9.186 1.00 1.12 C ATOM 258 O PRO A 14 8.251 -41.745 -9.780 1.00 23.30 O ATOM 259 CB PRO A 14 9.132 -41.865 -6.903 1.00 25.41 C ATOM 260 CG PRO A 14 7.885 -42.729 -6.722 1.00 0.44 C ATOM 261 CD PRO A 14 6.788 -41.684 -6.523 1.00 52.42 C ATOM 0 HA PRO A 14 9.173 -39.753 -7.408 1.00 13.02 H new ATOM 0 HB2 PRO A 14 9.908 -42.390 -7.461 1.00 25.41 H new ATOM 0 HB3 PRO A 14 9.566 -41.580 -5.945 1.00 25.41 H new ATOM 0 HG2 PRO A 14 7.695 -43.356 -7.593 1.00 0.44 H new ATOM 0 HG3 PRO A 14 7.973 -43.394 -5.863 1.00 0.44 H new ATOM 0 HD2 PRO A 14 5.821 -42.061 -6.857 1.00 52.42 H new ATOM 0 HD3 PRO A 14 6.682 -41.421 -5.471 1.00 52.42 H new ATOM 269 N ALA A 15 9.506 -39.863 -9.797 1.00 41.11 N ATOM 270 CA ALA A 15 9.805 -39.844 -11.221 1.00 32.43 C ATOM 271 C ALA A 15 11.099 -40.608 -11.491 1.00 60.24 C ATOM 272 O ALA A 15 12.127 -40.003 -11.796 1.00 61.32 O ATOM 273 CB ALA A 15 9.904 -38.389 -11.686 1.00 11.32 C ATOM 0 H ALA A 15 9.916 -39.076 -9.294 1.00 41.11 H new ATOM 0 HA ALA A 15 9.010 -40.336 -11.781 1.00 32.43 H new ATOM 0 HB1 ALA A 15 10.128 -38.362 -12.752 1.00 11.32 H new ATOM 0 HB2 ALA A 15 8.957 -37.883 -11.501 1.00 11.32 H new ATOM 0 HB3 ALA A 15 10.698 -37.884 -11.136 1.00 11.32 H new ATOM 279 N GLU A 16 11.043 -41.940 -11.384 1.00 43.05 N ATOM 280 CA GLU A 16 12.195 -42.810 -11.574 1.00 60.51 C ATOM 281 C GLU A 16 12.318 -43.179 -13.056 1.00 44.01 C ATOM 282 O GLU A 16 12.153 -44.337 -13.436 1.00 1.42 O ATOM 283 CB GLU A 16 12.067 -44.022 -10.639 1.00 1.21 C ATOM 284 CG GLU A 16 13.391 -44.786 -10.516 1.00 20.34 C ATOM 285 CD GLU A 16 13.275 -45.915 -9.496 1.00 34.11 C ATOM 286 OE1 GLU A 16 12.831 -47.010 -9.907 1.00 53.32 O ATOM 287 OE2 GLU A 16 13.624 -45.663 -8.323 1.00 74.13 O ATOM 0 H GLU A 16 10.185 -42.444 -11.160 1.00 43.05 H new ATOM 0 HA GLU A 16 13.123 -42.305 -11.307 1.00 60.51 H new ATOM 0 HB2 GLU A 16 11.747 -43.688 -9.652 1.00 1.21 H new ATOM 0 HB3 GLU A 16 11.294 -44.692 -11.015 1.00 1.21 H new ATOM 0 HG2 GLU A 16 13.671 -45.195 -11.487 1.00 20.34 H new ATOM 0 HG3 GLU A 16 14.185 -44.101 -10.218 1.00 20.34 H new ATOM 294 N ASN A 17 12.606 -42.166 -13.888 1.00 53.03 N ATOM 295 CA ASN A 17 12.802 -42.267 -15.332 1.00 65.43 C ATOM 296 C ASN A 17 11.650 -43.014 -16.019 1.00 0.24 C ATOM 297 O ASN A 17 11.877 -43.926 -16.813 1.00 15.01 O ATOM 298 CB ASN A 17 14.189 -42.873 -15.617 1.00 42.21 C ATOM 299 CG ASN A 17 14.572 -42.845 -17.098 1.00 4.52 C ATOM 300 OD1 ASN A 17 14.872 -43.885 -17.681 1.00 64.12 O ATOM 301 ND2 ASN A 17 14.573 -41.659 -17.709 1.00 0.10 N ATOM 0 H ASN A 17 12.712 -41.210 -13.550 1.00 53.03 H new ATOM 0 HA ASN A 17 12.782 -41.269 -15.770 1.00 65.43 H new ATOM 0 HB2 ASN A 17 14.940 -42.328 -15.045 1.00 42.21 H new ATOM 0 HB3 ASN A 17 14.206 -43.904 -15.264 1.00 42.21 H new ATOM 0 HD21 ASN A 17 14.829 -41.593 -18.694 1.00 0.10 H new ATOM 0 HD22 ASN A 17 14.318 -40.818 -17.191 1.00 0.10 H new ATOM 308 N GLY A 18 10.407 -42.623 -15.708 1.00 24.44 N ATOM 309 CA GLY A 18 9.213 -43.231 -16.274 1.00 71.44 C ATOM 310 C GLY A 18 8.019 -43.112 -15.328 1.00 20.33 C ATOM 311 O GLY A 18 8.142 -42.581 -14.225 1.00 13.52 O ATOM 0 H GLY A 18 10.209 -41.869 -15.050 1.00 24.44 H new ATOM 0 HA2 GLY A 18 8.975 -42.751 -17.223 1.00 71.44 H new ATOM 0 HA3 GLY A 18 9.406 -44.282 -16.487 1.00 71.44 H new ATOM 315 N LYS A 19 6.874 -43.643 -15.783 1.00 43.22 N ATOM 316 CA LYS A 19 5.623 -43.807 -15.056 1.00 25.35 C ATOM 317 C LYS A 19 4.926 -42.474 -14.762 1.00 60.11 C ATOM 318 O LYS A 19 5.573 -41.463 -14.508 1.00 65.52 O ATOM 319 CB LYS A 19 5.854 -44.675 -13.813 1.00 32.21 C ATOM 320 CG LYS A 19 4.539 -45.166 -13.192 1.00 21.10 C ATOM 321 CD LYS A 19 4.759 -46.114 -12.003 1.00 23.33 C ATOM 322 CE LYS A 19 5.612 -47.352 -12.321 1.00 12.44 C ATOM 323 NZ LYS A 19 5.110 -48.097 -13.489 1.00 34.41 N ATOM 0 H LYS A 19 6.802 -43.992 -16.739 1.00 43.22 H new ATOM 0 HA LYS A 19 4.917 -44.337 -15.696 1.00 25.35 H new ATOM 0 HB2 LYS A 19 6.469 -45.534 -14.082 1.00 32.21 H new ATOM 0 HB3 LYS A 19 6.412 -44.103 -13.072 1.00 32.21 H new ATOM 0 HG2 LYS A 19 3.955 -44.307 -12.862 1.00 21.10 H new ATOM 0 HG3 LYS A 19 3.951 -45.677 -13.954 1.00 21.10 H new ATOM 0 HD2 LYS A 19 5.236 -45.558 -11.196 1.00 23.33 H new ATOM 0 HD3 LYS A 19 3.788 -46.443 -11.633 1.00 23.33 H new ATOM 0 HE2 LYS A 19 6.641 -47.043 -12.506 1.00 12.44 H new ATOM 0 HE3 LYS A 19 5.628 -48.011 -11.453 1.00 12.44 H new ATOM 0 HZ1 LYS A 19 5.667 -48.967 -13.611 1.00 34.41 H new ATOM 0 HZ2 LYS A 19 4.111 -48.343 -13.340 1.00 34.41 H new ATOM 0 HZ3 LYS A 19 5.198 -47.507 -14.341 1.00 34.41 H new ATOM 337 N SER A 20 3.589 -42.480 -14.816 1.00 71.51 N ATOM 338 CA SER A 20 2.747 -41.310 -14.608 1.00 31.23 C ATOM 339 C SER A 20 3.005 -40.685 -13.234 1.00 72.53 C ATOM 340 O SER A 20 2.989 -41.389 -12.224 1.00 15.31 O ATOM 341 CB SER A 20 1.280 -41.730 -14.740 1.00 44.15 C ATOM 342 OG SER A 20 1.052 -42.288 -16.016 1.00 63.43 O ATOM 0 H SER A 20 3.054 -43.326 -15.012 1.00 71.51 H new ATOM 0 HA SER A 20 2.985 -40.557 -15.360 1.00 31.23 H new ATOM 0 HB2 SER A 20 1.030 -42.456 -13.966 1.00 44.15 H new ATOM 0 HB3 SER A 20 0.631 -40.867 -14.590 1.00 44.15 H new ATOM 0 HG SER A 20 0.112 -42.556 -16.093 1.00 63.43 H new ATOM 348 N ASN A 21 3.253 -39.370 -13.210 1.00 54.04 N ATOM 349 CA ASN A 21 3.541 -38.598 -12.008 1.00 74.11 C ATOM 350 C ASN A 21 2.763 -37.283 -12.066 1.00 14.44 C ATOM 351 O ASN A 21 2.657 -36.689 -13.134 1.00 35.13 O ATOM 352 CB ASN A 21 5.042 -38.281 -11.938 1.00 12.20 C ATOM 353 CG ASN A 21 5.964 -39.495 -12.030 1.00 41.43 C ATOM 354 OD1 ASN A 21 6.857 -39.519 -12.871 1.00 15.04 O ATOM 355 ND2 ASN A 21 5.775 -40.496 -11.168 1.00 44.44 N ATOM 0 H ASN A 21 3.258 -38.801 -14.057 1.00 54.04 H new ATOM 0 HA ASN A 21 3.250 -39.175 -11.130 1.00 74.11 H new ATOM 0 HB2 ASN A 21 5.291 -37.593 -12.746 1.00 12.20 H new ATOM 0 HB3 ASN A 21 5.245 -37.760 -11.002 1.00 12.20 H new ATOM 0 HD21 ASN A 21 6.383 -41.314 -11.195 1.00 44.44 H new ATOM 0 HD22 ASN A 21 5.022 -40.443 -10.482 1.00 44.44 H new ATOM 362 N PHE A 22 2.238 -36.810 -10.927 1.00 0.33 N ATOM 363 CA PHE A 22 1.567 -35.516 -10.842 1.00 65.54 C ATOM 364 C PHE A 22 2.532 -34.439 -10.351 1.00 21.43 C ATOM 365 O PHE A 22 3.257 -34.649 -9.382 1.00 44.51 O ATOM 366 CB PHE A 22 0.341 -35.604 -9.928 1.00 23.20 C ATOM 367 CG PHE A 22 -0.865 -36.230 -10.600 1.00 60.21 C ATOM 368 CD1 PHE A 22 -1.179 -37.586 -10.396 1.00 54.04 C ATOM 369 CD2 PHE A 22 -1.660 -35.451 -11.462 1.00 43.52 C ATOM 370 CE1 PHE A 22 -2.284 -38.158 -11.049 1.00 71.13 C ATOM 371 CE2 PHE A 22 -2.787 -36.012 -12.084 1.00 21.24 C ATOM 372 CZ PHE A 22 -3.089 -37.371 -11.893 1.00 5.42 C ATOM 0 H PHE A 22 2.269 -37.317 -10.043 1.00 0.33 H new ATOM 0 HA PHE A 22 1.229 -35.239 -11.841 1.00 65.54 H new ATOM 0 HB2 PHE A 22 0.598 -36.186 -9.043 1.00 23.20 H new ATOM 0 HB3 PHE A 22 0.079 -34.603 -9.586 1.00 23.20 H new ATOM 0 HD1 PHE A 22 -0.570 -38.188 -9.737 1.00 54.04 H new ATOM 0 HD2 PHE A 22 -1.402 -34.418 -11.646 1.00 43.52 H new ATOM 0 HE1 PHE A 22 -2.516 -39.203 -10.903 1.00 71.13 H new ATOM 0 HE2 PHE A 22 -3.421 -35.400 -12.708 1.00 21.24 H new ATOM 0 HZ PHE A 22 -3.939 -37.811 -12.394 1.00 5.42 H new ATOM 382 N LEU A 23 2.528 -33.281 -11.021 1.00 40.24 N ATOM 383 CA LEU A 23 3.360 -32.134 -10.679 1.00 12.10 C ATOM 384 C LEU A 23 2.681 -31.342 -9.562 1.00 14.52 C ATOM 385 O LEU A 23 1.485 -31.507 -9.334 1.00 64.54 O ATOM 386 CB LEU A 23 3.564 -31.285 -11.946 1.00 43.11 C ATOM 387 CG LEU A 23 4.674 -30.222 -11.875 1.00 0.05 C ATOM 388 CD1 LEU A 23 6.037 -30.828 -11.515 1.00 61.41 C ATOM 389 CD2 LEU A 23 4.782 -29.553 -13.250 1.00 35.40 C ATOM 0 H LEU A 23 1.932 -33.117 -11.832 1.00 40.24 H new ATOM 0 HA LEU A 23 4.339 -32.448 -10.316 1.00 12.10 H new ATOM 0 HB2 LEU A 23 3.783 -31.955 -12.777 1.00 43.11 H new ATOM 0 HB3 LEU A 23 2.624 -30.785 -12.179 1.00 43.11 H new ATOM 0 HG LEU A 23 4.413 -29.507 -11.095 1.00 0.05 H new ATOM 0 HD11 LEU A 23 6.788 -30.039 -11.477 1.00 61.41 H new ATOM 0 HD12 LEU A 23 5.973 -31.315 -10.542 1.00 61.41 H new ATOM 0 HD13 LEU A 23 6.320 -31.562 -12.270 1.00 61.41 H new ATOM 0 HD21 LEU A 23 5.564 -28.794 -13.225 1.00 35.40 H new ATOM 0 HD22 LEU A 23 5.029 -30.303 -14.001 1.00 35.40 H new ATOM 0 HD23 LEU A 23 3.830 -29.085 -13.503 1.00 35.40 H new ATOM 401 N ASN A 24 3.435 -30.495 -8.852 1.00 41.35 N ATOM 402 CA ASN A 24 2.892 -29.643 -7.806 1.00 71.33 C ATOM 403 C ASN A 24 3.565 -28.276 -7.881 1.00 54.43 C ATOM 404 O ASN A 24 4.409 -27.963 -7.044 1.00 52.54 O ATOM 405 CB ASN A 24 3.126 -30.286 -6.431 1.00 21.51 C ATOM 406 CG ASN A 24 2.586 -31.709 -6.319 1.00 45.43 C ATOM 407 OD1 ASN A 24 3.365 -32.655 -6.249 1.00 2.12 O ATOM 408 ND2 ASN A 24 1.261 -31.871 -6.292 1.00 34.40 N ATOM 0 H ASN A 24 4.439 -30.386 -8.992 1.00 41.35 H new ATOM 0 HA ASN A 24 1.818 -29.523 -7.947 1.00 71.33 H new ATOM 0 HB2 ASN A 24 4.196 -30.295 -6.221 1.00 21.51 H new ATOM 0 HB3 ASN A 24 2.657 -29.668 -5.666 1.00 21.51 H new ATOM 0 HD21 ASN A 24 0.863 -32.807 -6.211 1.00 34.40 H new ATOM 0 HD22 ASN A 24 0.647 -31.059 -6.353 1.00 34.40 H new ATOM 415 N CYS A 25 3.179 -27.450 -8.863 1.00 1.04 N ATOM 416 CA CYS A 25 3.625 -26.064 -8.943 1.00 0.33 C ATOM 417 C CYS A 25 2.806 -25.239 -7.948 1.00 61.45 C ATOM 418 O CYS A 25 1.799 -24.629 -8.305 1.00 31.12 O ATOM 419 CB CYS A 25 3.535 -25.547 -10.384 1.00 12.25 C ATOM 420 SG CYS A 25 4.688 -26.359 -11.524 1.00 13.10 S ATOM 0 H CYS A 25 2.552 -27.728 -9.618 1.00 1.04 H new ATOM 0 HA CYS A 25 4.676 -25.977 -8.669 1.00 0.33 H new ATOM 0 HB2 CYS A 25 2.518 -25.689 -10.748 1.00 12.25 H new ATOM 0 HB3 CYS A 25 3.729 -24.474 -10.388 1.00 12.25 H new ATOM 425 N TYR A 26 3.252 -25.263 -6.684 1.00 24.34 N ATOM 426 CA TYR A 26 2.592 -24.646 -5.545 1.00 54.02 C ATOM 427 C TYR A 26 3.089 -23.207 -5.400 1.00 34.52 C ATOM 428 O TYR A 26 4.036 -22.936 -4.664 1.00 3.54 O ATOM 429 CB TYR A 26 2.870 -25.502 -4.304 1.00 53.44 C ATOM 430 CG TYR A 26 2.170 -25.031 -3.046 1.00 65.45 C ATOM 431 CD1 TYR A 26 2.887 -24.351 -2.045 1.00 40.13 C ATOM 432 CD2 TYR A 26 0.809 -25.326 -2.851 1.00 2.22 C ATOM 433 CE1 TYR A 26 2.242 -23.951 -0.862 1.00 72.43 C ATOM 434 CE2 TYR A 26 0.180 -24.979 -1.644 1.00 40.43 C ATOM 435 CZ TYR A 26 0.883 -24.254 -0.667 1.00 21.53 C ATOM 436 OH TYR A 26 0.244 -23.847 0.468 1.00 13.43 O ATOM 0 H TYR A 26 4.119 -25.735 -6.426 1.00 24.34 H new ATOM 0 HA TYR A 26 1.512 -24.599 -5.681 1.00 54.02 H new ATOM 0 HB2 TYR A 26 2.567 -26.528 -4.511 1.00 53.44 H new ATOM 0 HB3 TYR A 26 3.945 -25.518 -4.122 1.00 53.44 H new ATOM 0 HD1 TYR A 26 3.936 -24.136 -2.186 1.00 40.13 H new ATOM 0 HD2 TYR A 26 0.247 -25.820 -3.630 1.00 2.22 H new ATOM 0 HE1 TYR A 26 2.790 -23.411 -0.104 1.00 72.43 H new ATOM 0 HE2 TYR A 26 -0.845 -25.270 -1.467 1.00 40.43 H new ATOM 0 HH TYR A 26 -0.691 -24.140 0.440 1.00 13.43 H new ATOM 446 N VAL A 27 2.455 -22.292 -6.141 1.00 52.45 N ATOM 447 CA VAL A 27 2.905 -20.917 -6.303 1.00 23.52 C ATOM 448 C VAL A 27 2.138 -20.025 -5.331 1.00 24.20 C ATOM 449 O VAL A 27 1.126 -19.431 -5.690 1.00 33.24 O ATOM 450 CB VAL A 27 2.784 -20.488 -7.778 1.00 60.13 C ATOM 451 CG1 VAL A 27 3.880 -21.178 -8.601 1.00 65.44 C ATOM 452 CG2 VAL A 27 1.426 -20.795 -8.429 1.00 34.23 C ATOM 0 H VAL A 27 1.597 -22.497 -6.653 1.00 52.45 H new ATOM 0 HA VAL A 27 3.962 -20.820 -6.055 1.00 23.52 H new ATOM 0 HB VAL A 27 2.890 -19.403 -7.775 1.00 60.13 H new ATOM 0 HG11 VAL A 27 3.796 -20.876 -9.645 1.00 65.44 H new ATOM 0 HG12 VAL A 27 4.859 -20.890 -8.217 1.00 65.44 H new ATOM 0 HG13 VAL A 27 3.765 -22.259 -8.526 1.00 65.44 H new ATOM 0 HG21 VAL A 27 1.435 -20.458 -9.465 1.00 34.23 H new ATOM 0 HG22 VAL A 27 1.242 -21.869 -8.398 1.00 34.23 H new ATOM 0 HG23 VAL A 27 0.636 -20.276 -7.885 1.00 34.23 H new ATOM 462 N SER A 28 2.607 -19.965 -4.080 1.00 21.11 N ATOM 463 CA SER A 28 1.871 -19.357 -2.982 1.00 11.03 C ATOM 464 C SER A 28 2.361 -17.943 -2.669 1.00 41.52 C ATOM 465 O SER A 28 3.550 -17.652 -2.781 1.00 41.45 O ATOM 466 CB SER A 28 1.967 -20.275 -1.759 1.00 43.53 C ATOM 467 OG SER A 28 3.313 -20.489 -1.388 1.00 23.10 O ATOM 0 H SER A 28 3.515 -20.341 -3.806 1.00 21.11 H new ATOM 0 HA SER A 28 0.826 -19.249 -3.274 1.00 11.03 H new ATOM 0 HB2 SER A 28 1.423 -19.833 -0.925 1.00 43.53 H new ATOM 0 HB3 SER A 28 1.491 -21.230 -1.979 1.00 43.53 H new ATOM 0 HG SER A 28 3.347 -21.077 -0.604 1.00 23.10 H new ATOM 473 N GLY A 29 1.435 -17.078 -2.236 1.00 43.14 N ATOM 474 CA GLY A 29 1.753 -15.797 -1.622 1.00 23.30 C ATOM 475 C GLY A 29 1.758 -14.599 -2.576 1.00 21.10 C ATOM 476 O GLY A 29 1.977 -13.483 -2.111 1.00 33.20 O ATOM 0 H GLY A 29 0.433 -17.257 -2.306 1.00 43.14 H new ATOM 0 HA2 GLY A 29 1.033 -15.605 -0.827 1.00 23.30 H new ATOM 0 HA3 GLY A 29 2.734 -15.871 -1.152 1.00 23.30 H new ATOM 480 N PHE A 30 1.522 -14.793 -3.881 1.00 42.23 N ATOM 481 CA PHE A 30 1.500 -13.695 -4.845 1.00 72.13 C ATOM 482 C PHE A 30 0.232 -12.858 -4.695 1.00 0.14 C ATOM 483 O PHE A 30 -0.866 -13.407 -4.651 1.00 54.12 O ATOM 484 CB PHE A 30 1.597 -14.215 -6.282 1.00 24.23 C ATOM 485 CG PHE A 30 0.401 -15.015 -6.753 1.00 31.40 C ATOM 486 CD1 PHE A 30 0.280 -16.367 -6.391 1.00 52.41 C ATOM 487 CD2 PHE A 30 -0.674 -14.364 -7.387 1.00 20.41 C ATOM 488 CE1 PHE A 30 -0.929 -17.047 -6.607 1.00 1.12 C ATOM 489 CE2 PHE A 30 -1.868 -15.055 -7.632 1.00 11.41 C ATOM 490 CZ PHE A 30 -2.013 -16.378 -7.197 1.00 71.12 C ATOM 0 H PHE A 30 1.343 -15.710 -4.291 1.00 42.23 H new ATOM 0 HA PHE A 30 2.368 -13.069 -4.637 1.00 72.13 H new ATOM 0 HB2 PHE A 30 1.734 -13.366 -6.952 1.00 24.23 H new ATOM 0 HB3 PHE A 30 2.488 -14.836 -6.369 1.00 24.23 H new ATOM 0 HD1 PHE A 30 1.118 -16.884 -5.946 1.00 52.41 H new ATOM 0 HD2 PHE A 30 -0.578 -13.330 -7.685 1.00 20.41 H new ATOM 0 HE1 PHE A 30 -1.025 -18.084 -6.320 1.00 1.12 H new ATOM 0 HE2 PHE A 30 -2.676 -14.567 -8.156 1.00 11.41 H new ATOM 0 HZ PHE A 30 -2.960 -16.884 -7.315 1.00 71.12 H new ATOM 500 N HIS A 31 0.392 -11.534 -4.624 1.00 2.32 N ATOM 501 CA HIS A 31 -0.721 -10.596 -4.504 1.00 63.24 C ATOM 502 C HIS A 31 -0.883 -9.802 -5.804 1.00 32.43 C ATOM 503 O HIS A 31 0.123 -9.474 -6.428 1.00 41.23 O ATOM 504 CB HIS A 31 -0.462 -9.641 -3.334 1.00 1.10 C ATOM 505 CG HIS A 31 -0.721 -10.265 -1.986 1.00 41.03 C ATOM 506 ND1 HIS A 31 -1.163 -9.523 -0.902 1.00 65.43 N ATOM 507 CD2 HIS A 31 -0.677 -11.564 -1.536 1.00 42.32 C ATOM 508 CE1 HIS A 31 -1.357 -10.375 0.117 1.00 33.51 C ATOM 509 NE2 HIS A 31 -1.080 -11.636 -0.210 1.00 40.23 N ATOM 0 H HIS A 31 1.306 -11.082 -4.649 1.00 2.32 H new ATOM 0 HA HIS A 31 -1.640 -11.152 -4.318 1.00 63.24 H new ATOM 0 HB2 HIS A 31 0.572 -9.299 -3.376 1.00 1.10 H new ATOM 0 HB3 HIS A 31 -1.094 -8.760 -3.446 1.00 1.10 H new ATOM 0 HD1 HIS A 31 -1.313 -8.514 -0.882 1.00 65.43 H new ATOM 0 HD2 HIS A 31 -0.371 -12.411 -2.132 1.00 42.32 H new ATOM 0 HE1 HIS A 31 -1.700 -10.071 1.095 1.00 33.51 H new ATOM 517 N PRO A 32 -2.112 -9.435 -6.209 1.00 21.30 N ATOM 518 CA PRO A 32 -3.374 -9.743 -5.557 1.00 60.44 C ATOM 519 C PRO A 32 -3.875 -11.121 -6.001 1.00 72.15 C ATOM 520 O PRO A 32 -4.058 -12.007 -5.169 1.00 40.22 O ATOM 521 CB PRO A 32 -4.325 -8.618 -5.971 1.00 63.14 C ATOM 522 CG PRO A 32 -3.794 -8.134 -7.324 1.00 2.35 C ATOM 523 CD PRO A 32 -2.316 -8.539 -7.335 1.00 31.34 C ATOM 0 HA PRO A 32 -3.288 -9.794 -4.472 1.00 60.44 H new ATOM 0 HB2 PRO A 32 -5.351 -8.978 -6.054 1.00 63.14 H new ATOM 0 HB3 PRO A 32 -4.328 -7.813 -5.236 1.00 63.14 H new ATOM 0 HG2 PRO A 32 -4.336 -8.595 -8.149 1.00 2.35 H new ATOM 0 HG3 PRO A 32 -3.909 -7.055 -7.431 1.00 2.35 H new ATOM 0 HD2 PRO A 32 -2.058 -9.033 -8.272 1.00 31.34 H new ATOM 0 HD3 PRO A 32 -1.675 -7.661 -7.250 1.00 31.34 H new ATOM 531 N SER A 33 -4.106 -11.294 -7.308 1.00 42.01 N ATOM 532 CA SER A 33 -4.655 -12.512 -7.890 1.00 14.05 C ATOM 533 C SER A 33 -4.261 -12.688 -9.369 1.00 24.33 C ATOM 534 O SER A 33 -4.835 -13.542 -10.044 1.00 1.00 O ATOM 535 CB SER A 33 -6.183 -12.490 -7.727 1.00 55.51 C ATOM 536 OG SER A 33 -6.730 -11.349 -8.357 1.00 40.24 O ATOM 0 H SER A 33 -3.910 -10.571 -8.001 1.00 42.01 H new ATOM 0 HA SER A 33 -4.234 -13.368 -7.362 1.00 14.05 H new ATOM 0 HB2 SER A 33 -6.614 -13.393 -8.159 1.00 55.51 H new ATOM 0 HB3 SER A 33 -6.442 -12.488 -6.668 1.00 55.51 H new ATOM 0 HG SER A 33 -7.704 -11.349 -8.246 1.00 40.24 H new ATOM 542 N ASP A 34 -3.311 -11.892 -9.888 1.00 3.34 N ATOM 543 CA ASP A 34 -3.111 -11.717 -11.323 1.00 53.43 C ATOM 544 C ASP A 34 -1.939 -12.568 -11.828 1.00 2.42 C ATOM 545 O ASP A 34 -0.948 -12.037 -12.327 1.00 23.41 O ATOM 546 CB ASP A 34 -2.926 -10.218 -11.602 1.00 53.34 C ATOM 547 CG ASP A 34 -3.137 -9.881 -13.077 1.00 2.02 C ATOM 548 OD1 ASP A 34 -4.314 -9.673 -13.444 1.00 44.43 O ATOM 549 OD2 ASP A 34 -2.126 -9.828 -13.810 1.00 40.14 O ATOM 0 H ASP A 34 -2.661 -11.353 -9.315 1.00 3.34 H new ATOM 0 HA ASP A 34 -3.983 -12.069 -11.874 1.00 53.43 H new ATOM 0 HB2 ASP A 34 -3.629 -9.647 -10.995 1.00 53.34 H new ATOM 0 HB3 ASP A 34 -1.924 -9.914 -11.300 1.00 53.34 H new ATOM 554 N ILE A 35 -2.057 -13.895 -11.682 1.00 3.33 N ATOM 555 CA ILE A 35 -1.015 -14.850 -12.053 1.00 13.44 C ATOM 556 C ILE A 35 -1.315 -15.480 -13.415 1.00 52.51 C ATOM 557 O ILE A 35 -2.477 -15.625 -13.794 1.00 42.34 O ATOM 558 CB ILE A 35 -0.824 -15.897 -10.940 1.00 35.10 C ATOM 559 CG1 ILE A 35 0.521 -16.619 -11.123 1.00 33.31 C ATOM 560 CG2 ILE A 35 -2.008 -16.875 -10.869 1.00 43.24 C ATOM 561 CD1 ILE A 35 0.845 -17.574 -9.974 1.00 32.22 C ATOM 0 H ILE A 35 -2.892 -14.337 -11.297 1.00 3.33 H new ATOM 0 HA ILE A 35 -0.068 -14.321 -12.158 1.00 13.44 H new ATOM 0 HB ILE A 35 -0.801 -15.383 -9.979 1.00 35.10 H new ATOM 0 HG12 ILE A 35 0.503 -17.177 -12.059 1.00 33.31 H new ATOM 0 HG13 ILE A 35 1.316 -15.879 -11.209 1.00 33.31 H new ATOM 0 HG21 ILE A 35 -1.835 -17.598 -10.072 1.00 43.24 H new ATOM 0 HG22 ILE A 35 -2.925 -16.322 -10.665 1.00 43.24 H new ATOM 0 HG23 ILE A 35 -2.104 -17.399 -11.820 1.00 43.24 H new ATOM 0 HD11 ILE A 35 1.806 -18.054 -10.160 1.00 32.22 H new ATOM 0 HD12 ILE A 35 0.893 -17.015 -9.039 1.00 32.22 H new ATOM 0 HD13 ILE A 35 0.067 -18.335 -9.903 1.00 32.22 H new ATOM 573 N GLU A 36 -0.254 -15.838 -14.146 1.00 22.30 N ATOM 574 CA GLU A 36 -0.310 -16.358 -15.503 1.00 2.23 C ATOM 575 C GLU A 36 0.635 -17.559 -15.609 1.00 31.15 C ATOM 576 O GLU A 36 1.721 -17.463 -16.179 1.00 42.45 O ATOM 577 CB GLU A 36 0.092 -15.239 -16.468 1.00 32.32 C ATOM 578 CG GLU A 36 -0.872 -14.045 -16.427 1.00 20.14 C ATOM 579 CD GLU A 36 -0.414 -12.937 -17.369 1.00 73.33 C ATOM 580 OE1 GLU A 36 -1.011 -12.830 -18.462 1.00 54.33 O ATOM 581 OE2 GLU A 36 0.531 -12.216 -16.979 1.00 20.24 O ATOM 0 H GLU A 36 0.699 -15.768 -13.789 1.00 22.30 H new ATOM 0 HA GLU A 36 -1.316 -16.691 -15.759 1.00 2.23 H new ATOM 0 HB2 GLU A 36 1.097 -14.897 -16.223 1.00 32.32 H new ATOM 0 HB3 GLU A 36 0.129 -15.636 -17.483 1.00 32.32 H new ATOM 0 HG2 GLU A 36 -1.874 -14.373 -16.706 1.00 20.14 H new ATOM 0 HG3 GLU A 36 -0.934 -13.659 -15.410 1.00 20.14 H new ATOM 588 N VAL A 37 0.208 -18.694 -15.045 1.00 51.04 N ATOM 589 CA VAL A 37 0.972 -19.939 -15.049 1.00 1.44 C ATOM 590 C VAL A 37 0.664 -20.727 -16.321 1.00 2.21 C ATOM 591 O VAL A 37 -0.146 -21.655 -16.313 1.00 71.42 O ATOM 592 CB VAL A 37 0.703 -20.775 -13.790 1.00 43.04 C ATOM 593 CG1 VAL A 37 1.714 -21.927 -13.693 1.00 63.21 C ATOM 594 CG2 VAL A 37 0.803 -19.927 -12.521 1.00 54.04 C ATOM 0 H VAL A 37 -0.690 -18.771 -14.568 1.00 51.04 H new ATOM 0 HA VAL A 37 2.034 -19.693 -15.038 1.00 1.44 H new ATOM 0 HB VAL A 37 -0.310 -21.168 -13.872 1.00 43.04 H new ATOM 0 HG11 VAL A 37 1.513 -22.513 -12.796 1.00 63.21 H new ATOM 0 HG12 VAL A 37 1.623 -22.566 -14.572 1.00 63.21 H new ATOM 0 HG13 VAL A 37 2.724 -21.521 -13.643 1.00 63.21 H new ATOM 0 HG21 VAL A 37 0.607 -20.552 -11.650 1.00 54.04 H new ATOM 0 HG22 VAL A 37 1.804 -19.502 -12.445 1.00 54.04 H new ATOM 0 HG23 VAL A 37 0.070 -19.122 -12.563 1.00 54.04 H new ATOM 604 N ASP A 38 1.337 -20.361 -17.413 1.00 42.32 N ATOM 605 CA ASP A 38 1.203 -21.019 -18.705 1.00 71.12 C ATOM 606 C ASP A 38 2.187 -22.189 -18.786 1.00 34.33 C ATOM 607 O ASP A 38 3.118 -22.166 -19.590 1.00 20.13 O ATOM 608 CB ASP A 38 1.431 -19.999 -19.826 1.00 13.40 C ATOM 609 CG ASP A 38 0.428 -18.851 -19.763 1.00 51.34 C ATOM 610 OD1 ASP A 38 -0.737 -19.095 -20.144 1.00 40.51 O ATOM 611 OD2 ASP A 38 0.847 -17.752 -19.339 1.00 33.30 O ATOM 0 H ASP A 38 2.000 -19.586 -17.420 1.00 42.32 H new ATOM 0 HA ASP A 38 0.197 -21.421 -18.822 1.00 71.12 H new ATOM 0 HB2 ASP A 38 2.443 -19.601 -19.754 1.00 13.40 H new ATOM 0 HB3 ASP A 38 1.352 -20.498 -20.792 1.00 13.40 H new ATOM 616 N LEU A 39 1.985 -23.210 -17.942 1.00 71.42 N ATOM 617 CA LEU A 39 2.904 -24.336 -17.819 1.00 42.13 C ATOM 618 C LEU A 39 2.895 -25.227 -19.053 1.00 15.32 C ATOM 619 O LEU A 39 1.873 -25.355 -19.727 1.00 1.31 O ATOM 620 CB LEU A 39 2.604 -25.155 -16.562 1.00 32.42 C ATOM 621 CG LEU A 39 1.256 -25.894 -16.620 1.00 71.43 C ATOM 622 CD1 LEU A 39 1.452 -27.371 -16.986 1.00 4.43 C ATOM 623 CD2 LEU A 39 0.574 -25.822 -15.251 1.00 45.41 C ATOM 0 H LEU A 39 1.175 -23.273 -17.326 1.00 71.42 H new ATOM 0 HA LEU A 39 3.906 -23.916 -17.731 1.00 42.13 H new ATOM 0 HB2 LEU A 39 3.402 -25.882 -16.412 1.00 32.42 H new ATOM 0 HB3 LEU A 39 2.610 -24.493 -15.696 1.00 32.42 H new ATOM 0 HG LEU A 39 0.642 -25.415 -17.382 1.00 71.43 H new ATOM 0 HD11 LEU A 39 0.483 -27.869 -17.020 1.00 4.43 H new ATOM 0 HD12 LEU A 39 1.932 -27.443 -17.962 1.00 4.43 H new ATOM 0 HD13 LEU A 39 2.081 -27.851 -16.236 1.00 4.43 H new ATOM 0 HD21 LEU A 39 -0.381 -26.346 -15.292 1.00 45.41 H new ATOM 0 HD22 LEU A 39 1.212 -26.290 -14.501 1.00 45.41 H new ATOM 0 HD23 LEU A 39 0.405 -24.779 -14.983 1.00 45.41 H new ATOM 635 N LEU A 40 4.052 -25.844 -19.313 1.00 13.32 N ATOM 636 CA LEU A 40 4.321 -26.633 -20.510 1.00 53.43 C ATOM 637 C LEU A 40 4.971 -27.974 -20.152 1.00 63.11 C ATOM 638 O LEU A 40 5.438 -28.170 -19.029 1.00 63.43 O ATOM 639 CB LEU A 40 5.276 -25.868 -21.445 1.00 33.41 C ATOM 640 CG LEU A 40 4.963 -24.381 -21.688 1.00 5.22 C ATOM 641 CD1 LEU A 40 6.069 -23.791 -22.569 1.00 41.01 C ATOM 642 CD2 LEU A 40 3.615 -24.155 -22.379 1.00 22.42 C ATOM 0 H LEU A 40 4.847 -25.805 -18.676 1.00 13.32 H new ATOM 0 HA LEU A 40 3.367 -26.813 -21.006 1.00 53.43 H new ATOM 0 HB2 LEU A 40 6.284 -25.941 -21.036 1.00 33.41 H new ATOM 0 HB3 LEU A 40 5.286 -26.375 -22.410 1.00 33.41 H new ATOM 0 HG LEU A 40 4.912 -23.895 -20.714 1.00 5.22 H new ATOM 0 HD11 LEU A 40 5.864 -22.736 -22.752 1.00 41.01 H new ATOM 0 HD12 LEU A 40 7.029 -23.892 -22.063 1.00 41.01 H new ATOM 0 HD13 LEU A 40 6.101 -24.325 -23.519 1.00 41.01 H new ATOM 0 HD21 LEU A 40 3.454 -23.086 -22.522 1.00 22.42 H new ATOM 0 HD22 LEU A 40 3.615 -24.654 -23.348 1.00 22.42 H new ATOM 0 HD23 LEU A 40 2.816 -24.563 -21.760 1.00 22.42 H new ATOM 654 N LYS A 41 5.061 -28.860 -21.153 1.00 14.34 N ATOM 655 CA LYS A 41 5.979 -29.990 -21.187 1.00 0.33 C ATOM 656 C LYS A 41 6.642 -30.015 -22.558 1.00 53.45 C ATOM 657 O LYS A 41 5.947 -30.036 -23.569 1.00 20.32 O ATOM 658 CB LYS A 41 5.271 -31.319 -20.889 1.00 43.14 C ATOM 659 CG LYS A 41 4.185 -31.735 -21.894 1.00 71.51 C ATOM 660 CD LYS A 41 3.435 -32.996 -21.439 1.00 41.32 C ATOM 661 CE LYS A 41 4.274 -34.280 -21.526 1.00 34.14 C ATOM 662 NZ LYS A 41 4.692 -34.583 -22.906 1.00 75.43 N ATOM 0 H LYS A 41 4.474 -28.802 -21.985 1.00 14.34 H new ATOM 0 HA LYS A 41 6.730 -29.868 -20.406 1.00 0.33 H new ATOM 0 HB2 LYS A 41 6.022 -32.108 -20.846 1.00 43.14 H new ATOM 0 HB3 LYS A 41 4.819 -31.255 -19.899 1.00 43.14 H new ATOM 0 HG2 LYS A 41 3.476 -30.917 -22.021 1.00 71.51 H new ATOM 0 HG3 LYS A 41 4.641 -31.916 -22.867 1.00 71.51 H new ATOM 0 HD2 LYS A 41 3.103 -32.859 -20.410 1.00 41.32 H new ATOM 0 HD3 LYS A 41 2.540 -33.116 -22.049 1.00 41.32 H new ATOM 0 HE2 LYS A 41 5.157 -34.178 -20.896 1.00 34.14 H new ATOM 0 HE3 LYS A 41 3.696 -35.116 -21.132 1.00 34.14 H new ATOM 0 HZ1 LYS A 41 4.833 -35.608 -23.009 1.00 75.43 H new ATOM 0 HZ2 LYS A 41 3.956 -34.267 -23.569 1.00 75.43 H new ATOM 0 HZ3 LYS A 41 5.582 -34.088 -23.116 1.00 75.43 H new ATOM 676 N ASN A 42 7.979 -30.002 -22.601 1.00 24.23 N ATOM 677 CA ASN A 42 8.739 -30.104 -23.843 1.00 5.01 C ATOM 678 C ASN A 42 8.467 -28.931 -24.804 1.00 1.35 C ATOM 679 O ASN A 42 8.739 -29.053 -25.996 1.00 74.42 O ATOM 680 CB ASN A 42 8.456 -31.455 -24.533 1.00 63.21 C ATOM 681 CG ASN A 42 8.290 -32.615 -23.549 1.00 32.50 C ATOM 682 OD1 ASN A 42 7.188 -33.130 -23.376 1.00 0.11 O ATOM 683 ND2 ASN A 42 9.375 -33.023 -22.895 1.00 24.24 N ATOM 0 H ASN A 42 8.563 -29.920 -21.769 1.00 24.23 H new ATOM 0 HA ASN A 42 9.795 -30.051 -23.579 1.00 5.01 H new ATOM 0 HB2 ASN A 42 7.551 -31.365 -25.134 1.00 63.21 H new ATOM 0 HB3 ASN A 42 9.272 -31.683 -25.218 1.00 63.21 H new ATOM 0 HD21 ASN A 42 9.308 -33.788 -22.224 1.00 24.24 H new ATOM 0 HD22 ASN A 42 10.273 -32.571 -23.065 1.00 24.24 H new ATOM 690 N GLY A 43 7.913 -27.815 -24.302 1.00 23.55 N ATOM 691 CA GLY A 43 7.468 -26.682 -25.107 1.00 12.12 C ATOM 692 C GLY A 43 5.957 -26.698 -25.384 1.00 53.13 C ATOM 693 O GLY A 43 5.395 -25.660 -25.731 1.00 34.31 O ATOM 0 H GLY A 43 7.762 -27.680 -23.302 1.00 23.55 H new ATOM 0 HA2 GLY A 43 7.728 -25.755 -24.595 1.00 12.12 H new ATOM 0 HA3 GLY A 43 8.006 -26.684 -26.055 1.00 12.12 H new ATOM 697 N GLU A 44 5.299 -27.858 -25.247 1.00 0.12 N ATOM 698 CA GLU A 44 3.891 -28.058 -25.566 1.00 73.12 C ATOM 699 C GLU A 44 3.016 -27.564 -24.410 1.00 54.44 C ATOM 700 O GLU A 44 3.203 -28.008 -23.279 1.00 13.02 O ATOM 701 CB GLU A 44 3.612 -29.556 -25.785 1.00 60.35 C ATOM 702 CG GLU A 44 4.570 -30.249 -26.765 1.00 24.10 C ATOM 703 CD GLU A 44 4.329 -31.757 -26.786 1.00 4.45 C ATOM 704 OE1 GLU A 44 4.571 -32.388 -25.732 1.00 55.51 O ATOM 705 OE2 GLU A 44 3.910 -32.257 -27.852 1.00 74.41 O ATOM 0 H GLU A 44 5.751 -28.704 -24.900 1.00 0.12 H new ATOM 0 HA GLU A 44 3.658 -27.499 -26.472 1.00 73.12 H new ATOM 0 HB2 GLU A 44 3.665 -30.066 -24.823 1.00 60.35 H new ATOM 0 HB3 GLU A 44 2.592 -29.672 -26.151 1.00 60.35 H new ATOM 0 HG2 GLU A 44 4.431 -29.840 -27.766 1.00 24.10 H new ATOM 0 HG3 GLU A 44 5.601 -30.045 -26.477 1.00 24.10 H new ATOM 712 N ARG A 45 2.037 -26.689 -24.688 1.00 61.31 N ATOM 713 CA ARG A 45 1.012 -26.340 -23.709 1.00 55.42 C ATOM 714 C ARG A 45 0.048 -27.517 -23.556 1.00 74.15 C ATOM 715 O ARG A 45 -0.409 -28.082 -24.549 1.00 32.43 O ATOM 716 CB ARG A 45 0.283 -25.048 -24.107 1.00 34.23 C ATOM 717 CG ARG A 45 -0.744 -24.653 -23.032 1.00 22.54 C ATOM 718 CD ARG A 45 -1.404 -23.298 -23.303 1.00 25.34 C ATOM 719 NE ARG A 45 -0.445 -22.190 -23.199 1.00 34.43 N ATOM 720 CZ ARG A 45 -0.772 -20.886 -23.160 1.00 40.54 C ATOM 721 NH1 ARG A 45 -2.053 -20.489 -23.162 1.00 53.45 N ATOM 722 NH2 ARG A 45 0.199 -19.964 -23.121 1.00 32.45 N ATOM 0 H ARG A 45 1.939 -26.213 -25.585 1.00 61.31 H new ATOM 0 HA ARG A 45 1.480 -26.145 -22.744 1.00 55.42 H new ATOM 0 HB2 ARG A 45 1.005 -24.243 -24.241 1.00 34.23 H new ATOM 0 HB3 ARG A 45 -0.220 -25.188 -25.064 1.00 34.23 H new ATOM 0 HG2 ARG A 45 -1.515 -25.421 -22.975 1.00 22.54 H new ATOM 0 HG3 ARG A 45 -0.251 -24.623 -22.060 1.00 22.54 H new ATOM 0 HD2 ARG A 45 -1.846 -23.303 -24.299 1.00 25.34 H new ATOM 0 HD3 ARG A 45 -2.217 -23.142 -22.594 1.00 25.34 H new ATOM 0 HE ARG A 45 0.546 -22.428 -23.153 1.00 34.43 H new ATOM 0 HH11 ARG A 45 -2.801 -21.181 -23.194 1.00 53.45 H new ATOM 0 HH12 ARG A 45 -2.279 -19.495 -23.132 1.00 53.45 H new ATOM 0 HH21 ARG A 45 1.177 -20.253 -23.121 1.00 32.45 H new ATOM 0 HH22 ARG A 45 -0.040 -18.973 -23.091 1.00 32.45 H new ATOM 736 N ILE A 46 -0.233 -27.888 -22.302 1.00 24.15 N ATOM 737 CA ILE A 46 -1.024 -29.058 -21.953 1.00 51.04 C ATOM 738 C ILE A 46 -2.486 -28.638 -21.809 1.00 34.40 C ATOM 739 O ILE A 46 -2.780 -27.655 -21.130 1.00 34.43 O ATOM 740 CB ILE A 46 -0.490 -29.682 -20.652 1.00 22.51 C ATOM 741 CG1 ILE A 46 1.019 -29.969 -20.769 1.00 1.50 C ATOM 742 CG2 ILE A 46 -1.263 -30.976 -20.356 1.00 11.12 C ATOM 743 CD1 ILE A 46 1.625 -30.486 -19.464 1.00 52.23 C ATOM 0 H ILE A 46 0.094 -27.367 -21.488 1.00 24.15 H new ATOM 0 HA ILE A 46 -0.950 -29.812 -22.737 1.00 51.04 H new ATOM 0 HB ILE A 46 -0.636 -28.980 -19.831 1.00 22.51 H new ATOM 0 HG12 ILE A 46 1.185 -30.703 -21.558 1.00 1.50 H new ATOM 0 HG13 ILE A 46 1.536 -29.057 -21.068 1.00 1.50 H new ATOM 0 HG21 ILE A 46 -0.888 -31.421 -19.435 1.00 11.12 H new ATOM 0 HG22 ILE A 46 -2.323 -30.749 -20.244 1.00 11.12 H new ATOM 0 HG23 ILE A 46 -1.128 -31.677 -21.179 1.00 11.12 H new ATOM 0 HD11 ILE A 46 2.690 -30.671 -19.606 1.00 52.23 H new ATOM 0 HD12 ILE A 46 1.487 -29.742 -18.679 1.00 52.23 H new ATOM 0 HD13 ILE A 46 1.131 -31.414 -19.176 1.00 52.23 H new ATOM 755 N GLU A 47 -3.396 -29.395 -22.434 1.00 42.33 N ATOM 756 CA GLU A 47 -4.827 -29.110 -22.432 1.00 2.43 C ATOM 757 C GLU A 47 -5.527 -29.845 -21.279 1.00 73.41 C ATOM 758 O GLU A 47 -6.602 -30.412 -21.468 1.00 23.14 O ATOM 759 CB GLU A 47 -5.425 -29.474 -23.802 1.00 74.43 C ATOM 760 CG GLU A 47 -4.856 -28.605 -24.934 1.00 14.11 C ATOM 761 CD GLU A 47 -5.592 -28.852 -26.249 1.00 11.35 C ATOM 762 OE1 GLU A 47 -6.304 -27.922 -26.688 1.00 61.32 O ATOM 763 OE2 GLU A 47 -5.428 -29.966 -26.792 1.00 15.50 O ATOM 0 H GLU A 47 -3.151 -30.233 -22.961 1.00 42.33 H new ATOM 0 HA GLU A 47 -4.987 -28.044 -22.267 1.00 2.43 H new ATOM 0 HB2 GLU A 47 -5.225 -30.524 -24.017 1.00 74.43 H new ATOM 0 HB3 GLU A 47 -6.508 -29.357 -23.766 1.00 74.43 H new ATOM 0 HG2 GLU A 47 -4.936 -27.552 -24.662 1.00 14.11 H new ATOM 0 HG3 GLU A 47 -3.795 -28.821 -25.063 1.00 14.11 H new ATOM 770 N LYS A 48 -4.930 -29.813 -20.079 1.00 52.45 N ATOM 771 CA LYS A 48 -5.525 -30.330 -18.853 1.00 24.45 C ATOM 772 C LYS A 48 -4.763 -29.759 -17.653 1.00 20.55 C ATOM 773 O LYS A 48 -4.082 -30.486 -16.930 1.00 51.31 O ATOM 774 CB LYS A 48 -5.562 -31.871 -18.848 1.00 14.21 C ATOM 775 CG LYS A 48 -6.487 -32.378 -17.731 1.00 25.32 C ATOM 776 CD LYS A 48 -6.431 -33.903 -17.612 1.00 33.24 C ATOM 777 CE LYS A 48 -7.398 -34.387 -16.526 1.00 51.44 C ATOM 778 NZ LYS A 48 -7.277 -35.837 -16.304 1.00 3.21 N ATOM 0 H LYS A 48 -4.001 -29.417 -19.938 1.00 52.45 H new ATOM 0 HA LYS A 48 -6.565 -30.009 -18.789 1.00 24.45 H new ATOM 0 HB2 LYS A 48 -5.912 -32.236 -19.813 1.00 14.21 H new ATOM 0 HB3 LYS A 48 -4.556 -32.265 -18.704 1.00 14.21 H new ATOM 0 HG2 LYS A 48 -6.197 -31.926 -16.782 1.00 25.32 H new ATOM 0 HG3 LYS A 48 -7.511 -32.064 -17.933 1.00 25.32 H new ATOM 0 HD2 LYS A 48 -6.689 -34.359 -18.568 1.00 33.24 H new ATOM 0 HD3 LYS A 48 -5.416 -34.219 -17.372 1.00 33.24 H new ATOM 0 HE2 LYS A 48 -7.196 -33.857 -15.595 1.00 51.44 H new ATOM 0 HE3 LYS A 48 -8.421 -34.146 -16.815 1.00 51.44 H new ATOM 0 HZ1 LYS A 48 -7.945 -36.132 -15.563 1.00 3.21 H new ATOM 0 HZ2 LYS A 48 -7.494 -36.343 -17.187 1.00 3.21 H new ATOM 0 HZ3 LYS A 48 -6.307 -36.063 -16.005 1.00 3.21 H new ATOM 792 N VAL A 49 -4.893 -28.444 -17.442 1.00 53.01 N ATOM 793 CA VAL A 49 -4.370 -27.761 -16.270 1.00 44.14 C ATOM 794 C VAL A 49 -5.429 -27.839 -15.173 1.00 34.32 C ATOM 795 O VAL A 49 -6.579 -27.466 -15.400 1.00 5.12 O ATOM 796 CB VAL A 49 -4.029 -26.304 -16.615 1.00 61.24 C ATOM 797 CG1 VAL A 49 -3.525 -25.552 -15.379 1.00 42.42 C ATOM 798 CG2 VAL A 49 -2.947 -26.247 -17.702 1.00 72.12 C ATOM 0 H VAL A 49 -5.372 -27.823 -18.094 1.00 53.01 H new ATOM 0 HA VAL A 49 -3.451 -28.234 -15.925 1.00 44.14 H new ATOM 0 HB VAL A 49 -4.941 -25.831 -16.978 1.00 61.24 H new ATOM 0 HG11 VAL A 49 -3.290 -24.523 -15.650 1.00 42.42 H new ATOM 0 HG12 VAL A 49 -4.297 -25.558 -14.610 1.00 42.42 H new ATOM 0 HG13 VAL A 49 -2.628 -26.040 -14.997 1.00 42.42 H new ATOM 0 HG21 VAL A 49 -2.718 -25.207 -17.934 1.00 72.12 H new ATOM 0 HG22 VAL A 49 -2.046 -26.746 -17.345 1.00 72.12 H new ATOM 0 HG23 VAL A 49 -3.307 -26.748 -18.601 1.00 72.12 H new ATOM 808 N GLU A 50 -5.030 -28.325 -13.994 1.00 24.24 N ATOM 809 CA GLU A 50 -5.903 -28.506 -12.845 1.00 2.33 C ATOM 810 C GLU A 50 -5.334 -27.697 -11.685 1.00 4.44 C ATOM 811 O GLU A 50 -4.154 -27.826 -11.365 1.00 42.31 O ATOM 812 CB GLU A 50 -6.002 -29.988 -12.476 1.00 61.31 C ATOM 813 CG GLU A 50 -6.515 -30.856 -13.631 1.00 52.42 C ATOM 814 CD GLU A 50 -6.536 -32.332 -13.241 1.00 22.33 C ATOM 815 OE1 GLU A 50 -5.507 -33.001 -13.480 1.00 62.41 O ATOM 816 OE2 GLU A 50 -7.582 -32.768 -12.713 1.00 11.24 O ATOM 0 H GLU A 50 -4.067 -28.608 -13.814 1.00 24.24 H new ATOM 0 HA GLU A 50 -6.909 -28.159 -13.080 1.00 2.33 H new ATOM 0 HB2 GLU A 50 -5.020 -30.347 -12.166 1.00 61.31 H new ATOM 0 HB3 GLU A 50 -6.667 -30.101 -11.620 1.00 61.31 H new ATOM 0 HG2 GLU A 50 -7.518 -30.537 -13.912 1.00 52.42 H new ATOM 0 HG3 GLU A 50 -5.879 -30.717 -14.505 1.00 52.42 H new ATOM 823 N HIS A 51 -6.177 -26.854 -11.080 1.00 35.10 N ATOM 824 CA HIS A 51 -5.796 -25.918 -10.033 1.00 55.53 C ATOM 825 C HIS A 51 -6.710 -26.071 -8.822 1.00 42.21 C ATOM 826 O HIS A 51 -7.875 -26.443 -8.961 1.00 52.44 O ATOM 827 CB HIS A 51 -5.795 -24.486 -10.578 1.00 53.01 C ATOM 828 CG HIS A 51 -7.091 -24.045 -11.213 1.00 61.25 C ATOM 829 ND1 HIS A 51 -8.173 -23.579 -10.481 1.00 14.51 N ATOM 830 CD2 HIS A 51 -7.486 -23.967 -12.528 1.00 52.44 C ATOM 831 CE1 HIS A 51 -9.136 -23.245 -11.357 1.00 75.35 C ATOM 832 NE2 HIS A 51 -8.779 -23.461 -12.625 1.00 14.04 N ATOM 0 H HIS A 51 -7.168 -26.808 -11.316 1.00 35.10 H new ATOM 0 HA HIS A 51 -4.782 -26.143 -9.702 1.00 55.53 H new ATOM 0 HB2 HIS A 51 -5.556 -23.803 -9.763 1.00 53.01 H new ATOM 0 HB3 HIS A 51 -4.997 -24.394 -11.315 1.00 53.01 H new ATOM 0 HD2 HIS A 51 -6.876 -24.259 -13.370 1.00 52.44 H new ATOM 0 HE1 HIS A 51 -10.096 -22.845 -11.066 1.00 75.35 H new ATOM 0 HE2 HIS A 51 -9.327 -23.294 -13.469 1.00 14.04 H new ATOM 840 N SER A 52 -6.176 -25.767 -7.632 1.00 72.31 N ATOM 841 CA SER A 52 -6.925 -25.791 -6.382 1.00 54.14 C ATOM 842 C SER A 52 -7.740 -24.508 -6.182 1.00 71.13 C ATOM 843 O SER A 52 -8.399 -24.368 -5.153 1.00 3.23 O ATOM 844 CB SER A 52 -5.951 -25.999 -5.217 1.00 35.50 C ATOM 845 OG SER A 52 -5.019 -24.942 -5.155 1.00 40.41 O ATOM 0 H SER A 52 -5.200 -25.495 -7.515 1.00 72.31 H new ATOM 0 HA SER A 52 -7.636 -26.617 -6.420 1.00 54.14 H new ATOM 0 HB2 SER A 52 -6.504 -26.059 -4.280 1.00 35.50 H new ATOM 0 HB3 SER A 52 -5.427 -26.947 -5.339 1.00 35.50 H new ATOM 0 HG SER A 52 -4.406 -25.090 -4.405 1.00 40.41 H new ATOM 851 N ASP A 53 -7.672 -23.571 -7.141 1.00 52.31 N ATOM 852 CA ASP A 53 -8.294 -22.258 -7.086 1.00 63.41 C ATOM 853 C ASP A 53 -7.593 -21.368 -6.053 1.00 21.30 C ATOM 854 O ASP A 53 -6.675 -21.813 -5.364 1.00 20.52 O ATOM 855 CB ASP A 53 -9.808 -22.382 -6.855 1.00 34.23 C ATOM 856 CG ASP A 53 -10.569 -21.186 -7.421 1.00 3.44 C ATOM 857 OD1 ASP A 53 -10.908 -20.290 -6.617 1.00 73.44 O ATOM 858 OD2 ASP A 53 -10.783 -21.183 -8.652 1.00 44.41 O ATOM 0 H ASP A 53 -7.158 -23.724 -8.009 1.00 52.31 H new ATOM 0 HA ASP A 53 -8.171 -21.764 -8.050 1.00 63.41 H new ATOM 0 HB2 ASP A 53 -10.173 -23.298 -7.320 1.00 34.23 H new ATOM 0 HB3 ASP A 53 -10.007 -22.466 -5.787 1.00 34.23 H new ATOM 863 N LEU A 54 -8.022 -20.102 -5.971 1.00 53.35 N ATOM 864 CA LEU A 54 -7.444 -19.068 -5.126 1.00 74.53 C ATOM 865 C LEU A 54 -7.773 -19.354 -3.655 1.00 51.11 C ATOM 866 O LEU A 54 -8.683 -18.755 -3.086 1.00 65.31 O ATOM 867 CB LEU A 54 -7.997 -17.708 -5.584 1.00 14.54 C ATOM 868 CG LEU A 54 -7.249 -16.526 -4.947 1.00 32.44 C ATOM 869 CD1 LEU A 54 -6.092 -16.076 -5.848 1.00 73.23 C ATOM 870 CD2 LEU A 54 -8.203 -15.346 -4.733 1.00 43.11 C ATOM 0 H LEU A 54 -8.814 -19.764 -6.517 1.00 53.35 H new ATOM 0 HA LEU A 54 -6.358 -19.054 -5.216 1.00 74.53 H new ATOM 0 HB2 LEU A 54 -7.926 -17.637 -6.669 1.00 14.54 H new ATOM 0 HB3 LEU A 54 -9.055 -17.645 -5.329 1.00 14.54 H new ATOM 0 HG LEU A 54 -6.853 -16.854 -3.986 1.00 32.44 H new ATOM 0 HD11 LEU A 54 -5.573 -15.238 -5.382 1.00 73.23 H new ATOM 0 HD12 LEU A 54 -5.396 -16.903 -5.986 1.00 73.23 H new ATOM 0 HD13 LEU A 54 -6.484 -15.766 -6.817 1.00 73.23 H new ATOM 0 HD21 LEU A 54 -7.660 -14.516 -4.281 1.00 43.11 H new ATOM 0 HD22 LEU A 54 -8.614 -15.031 -5.692 1.00 43.11 H new ATOM 0 HD23 LEU A 54 -9.015 -15.650 -4.073 1.00 43.11 H new ATOM 882 N SER A 55 -7.023 -20.279 -3.046 1.00 61.11 N ATOM 883 CA SER A 55 -7.249 -20.748 -1.686 1.00 34.43 C ATOM 884 C SER A 55 -6.429 -19.911 -0.709 1.00 75.41 C ATOM 885 O SER A 55 -5.341 -19.448 -1.042 1.00 61.35 O ATOM 886 CB SER A 55 -6.902 -22.235 -1.579 1.00 72.35 C ATOM 887 OG SER A 55 -7.667 -22.985 -2.498 1.00 63.23 O ATOM 0 H SER A 55 -6.227 -20.728 -3.499 1.00 61.11 H new ATOM 0 HA SER A 55 -8.302 -20.633 -1.430 1.00 34.43 H new ATOM 0 HB2 SER A 55 -5.840 -22.382 -1.774 1.00 72.35 H new ATOM 0 HB3 SER A 55 -7.091 -22.587 -0.565 1.00 72.35 H new ATOM 0 HG SER A 55 -7.389 -22.765 -3.412 1.00 63.23 H new ATOM 893 N PHE A 56 -6.981 -19.692 0.487 1.00 43.53 N ATOM 894 CA PHE A 56 -6.505 -18.698 1.438 1.00 4.52 C ATOM 895 C PHE A 56 -5.772 -19.395 2.585 1.00 31.20 C ATOM 896 O PHE A 56 -6.403 -20.112 3.361 1.00 52.23 O ATOM 897 CB PHE A 56 -7.715 -17.897 1.942 1.00 13.24 C ATOM 898 CG PHE A 56 -8.613 -17.380 0.831 1.00 43.31 C ATOM 899 CD1 PHE A 56 -8.287 -16.194 0.148 1.00 63.11 C ATOM 900 CD2 PHE A 56 -9.722 -18.142 0.411 1.00 60.42 C ATOM 901 CE1 PHE A 56 -9.077 -15.763 -0.934 1.00 71.43 C ATOM 902 CE2 PHE A 56 -10.508 -17.712 -0.671 1.00 65.12 C ATOM 903 CZ PHE A 56 -10.191 -16.517 -1.337 1.00 65.13 C ATOM 0 H PHE A 56 -7.789 -20.215 0.824 1.00 43.53 H new ATOM 0 HA PHE A 56 -5.800 -18.013 0.967 1.00 4.52 H new ATOM 0 HB2 PHE A 56 -8.304 -18.527 2.609 1.00 13.24 H new ATOM 0 HB3 PHE A 56 -7.360 -17.052 2.532 1.00 13.24 H new ATOM 0 HD1 PHE A 56 -7.429 -15.614 0.454 1.00 63.11 H new ATOM 0 HD2 PHE A 56 -9.968 -19.060 0.923 1.00 60.42 H new ATOM 0 HE1 PHE A 56 -8.826 -14.851 -1.455 1.00 71.43 H new ATOM 0 HE2 PHE A 56 -11.356 -18.300 -0.990 1.00 65.12 H new ATOM 0 HZ PHE A 56 -10.804 -16.178 -2.159 1.00 65.13 H new ATOM 913 N SER A 57 -4.451 -19.197 2.700 1.00 51.13 N ATOM 914 CA SER A 57 -3.666 -19.783 3.783 1.00 12.02 C ATOM 915 C SER A 57 -4.127 -19.214 5.127 1.00 51.41 C ATOM 916 O SER A 57 -4.415 -19.970 6.053 1.00 34.23 O ATOM 917 CB SER A 57 -2.167 -19.541 3.577 1.00 63.25 C ATOM 918 OG SER A 57 -1.753 -19.961 2.296 1.00 73.31 O ATOM 0 H SER A 57 -3.906 -18.631 2.049 1.00 51.13 H new ATOM 0 HA SER A 57 -3.828 -20.861 3.781 1.00 12.02 H new ATOM 0 HB2 SER A 57 -1.946 -18.481 3.704 1.00 63.25 H new ATOM 0 HB3 SER A 57 -1.601 -20.078 4.339 1.00 63.25 H new ATOM 0 HG SER A 57 -2.422 -20.570 1.919 1.00 73.31 H new ATOM 924 N LYS A 58 -4.218 -17.881 5.211 1.00 1.30 N ATOM 925 CA LYS A 58 -4.787 -17.166 6.347 1.00 24.41 C ATOM 926 C LYS A 58 -5.316 -15.794 5.903 1.00 60.33 C ATOM 927 O LYS A 58 -5.267 -14.839 6.677 1.00 11.12 O ATOM 928 CB LYS A 58 -3.740 -17.059 7.471 1.00 23.14 C ATOM 929 CG LYS A 58 -2.453 -16.353 7.018 1.00 32.54 C ATOM 930 CD LYS A 58 -1.525 -16.120 8.214 1.00 74.11 C ATOM 931 CE LYS A 58 -0.225 -15.447 7.767 1.00 3.30 C ATOM 932 NZ LYS A 58 0.645 -15.160 8.920 1.00 20.13 N ATOM 0 H LYS A 58 -3.889 -17.261 4.471 1.00 1.30 H new ATOM 0 HA LYS A 58 -5.638 -17.720 6.744 1.00 24.41 H new ATOM 0 HB2 LYS A 58 -4.171 -16.516 8.312 1.00 23.14 H new ATOM 0 HB3 LYS A 58 -3.494 -18.059 7.829 1.00 23.14 H new ATOM 0 HG2 LYS A 58 -1.944 -16.957 6.267 1.00 32.54 H new ATOM 0 HG3 LYS A 58 -2.699 -15.400 6.549 1.00 32.54 H new ATOM 0 HD2 LYS A 58 -2.027 -15.497 8.954 1.00 74.11 H new ATOM 0 HD3 LYS A 58 -1.301 -17.071 8.697 1.00 74.11 H new ATOM 0 HE2 LYS A 58 0.300 -16.093 7.063 1.00 3.30 H new ATOM 0 HE3 LYS A 58 -0.454 -14.521 7.240 1.00 3.30 H new ATOM 0 HZ1 LYS A 58 1.520 -14.704 8.590 1.00 20.13 H new ATOM 0 HZ2 LYS A 58 0.150 -14.525 9.578 1.00 20.13 H new ATOM 0 HZ3 LYS A 58 0.880 -16.048 9.407 1.00 20.13 H new ATOM 946 N ASP A 59 -5.793 -15.700 4.651 1.00 32.12 N ATOM 947 CA ASP A 59 -6.135 -14.468 3.942 1.00 72.21 C ATOM 948 C ASP A 59 -4.887 -13.624 3.667 1.00 44.25 C ATOM 949 O ASP A 59 -3.927 -13.647 4.438 1.00 2.41 O ATOM 950 CB ASP A 59 -7.232 -13.664 4.654 1.00 75.15 C ATOM 951 CG ASP A 59 -7.739 -12.526 3.769 1.00 14.21 C ATOM 952 OD1 ASP A 59 -8.500 -12.835 2.827 1.00 5.40 O ATOM 953 OD2 ASP A 59 -7.336 -11.372 4.035 1.00 44.12 O ATOM 0 H ASP A 59 -5.957 -16.529 4.080 1.00 32.12 H new ATOM 0 HA ASP A 59 -6.554 -14.759 2.979 1.00 72.21 H new ATOM 0 HB2 ASP A 59 -8.060 -14.323 4.915 1.00 75.15 H new ATOM 0 HB3 ASP A 59 -6.842 -13.258 5.587 1.00 75.15 H new ATOM 958 N GLY A 60 -4.887 -12.900 2.540 1.00 21.12 N ATOM 959 CA GLY A 60 -3.714 -12.189 2.060 1.00 52.41 C ATOM 960 C GLY A 60 -2.537 -13.156 1.941 1.00 31.24 C ATOM 961 O GLY A 60 -1.483 -12.918 2.526 1.00 74.14 O ATOM 0 H GLY A 60 -5.706 -12.796 1.941 1.00 21.12 H new ATOM 0 HA2 GLY A 60 -3.923 -11.735 1.091 1.00 52.41 H new ATOM 0 HA3 GLY A 60 -3.463 -11.378 2.744 1.00 52.41 H new ATOM 965 N SER A 61 -2.750 -14.259 1.211 1.00 34.20 N ATOM 966 CA SER A 61 -1.824 -15.374 1.069 1.00 2.34 C ATOM 967 C SER A 61 -2.499 -16.425 0.187 1.00 3.01 C ATOM 968 O SER A 61 -3.120 -17.363 0.684 1.00 2.01 O ATOM 969 CB SER A 61 -1.432 -15.945 2.440 1.00 55.11 C ATOM 970 OG SER A 61 -2.567 -16.106 3.267 1.00 62.41 O ATOM 0 H SER A 61 -3.612 -14.398 0.683 1.00 34.20 H new ATOM 0 HA SER A 61 -0.896 -15.043 0.603 1.00 2.34 H new ATOM 0 HB2 SER A 61 -0.935 -16.906 2.309 1.00 55.11 H new ATOM 0 HB3 SER A 61 -0.717 -15.280 2.924 1.00 55.11 H new ATOM 0 HG SER A 61 -2.807 -15.243 3.665 1.00 62.41 H new ATOM 976 N PHE A 62 -2.407 -16.222 -1.132 1.00 73.44 N ATOM 977 CA PHE A 62 -3.257 -16.878 -2.111 1.00 54.43 C ATOM 978 C PHE A 62 -2.512 -18.032 -2.786 1.00 74.12 C ATOM 979 O PHE A 62 -1.685 -17.796 -3.665 1.00 74.41 O ATOM 980 CB PHE A 62 -3.719 -15.829 -3.127 1.00 14.11 C ATOM 981 CG PHE A 62 -4.307 -14.571 -2.507 1.00 4.03 C ATOM 982 CD1 PHE A 62 -3.561 -13.378 -2.492 1.00 64.21 C ATOM 983 CD2 PHE A 62 -5.572 -14.602 -1.892 1.00 22.32 C ATOM 984 CE1 PHE A 62 -4.103 -12.205 -1.944 1.00 21.45 C ATOM 985 CE2 PHE A 62 -6.094 -13.439 -1.296 1.00 11.53 C ATOM 986 CZ PHE A 62 -5.370 -12.236 -1.341 1.00 51.54 C ATOM 0 H PHE A 62 -1.727 -15.586 -1.548 1.00 73.44 H new ATOM 0 HA PHE A 62 -4.130 -17.311 -1.623 1.00 54.43 H new ATOM 0 HB2 PHE A 62 -2.872 -15.549 -3.753 1.00 14.11 H new ATOM 0 HB3 PHE A 62 -4.465 -16.279 -3.782 1.00 14.11 H new ATOM 0 HD1 PHE A 62 -2.563 -13.365 -2.905 1.00 64.21 H new ATOM 0 HD2 PHE A 62 -6.143 -15.519 -1.877 1.00 22.32 H new ATOM 0 HE1 PHE A 62 -3.546 -11.281 -1.986 1.00 21.45 H new ATOM 0 HE2 PHE A 62 -7.054 -13.471 -0.803 1.00 11.53 H new ATOM 0 HZ PHE A 62 -5.787 -11.337 -0.912 1.00 51.54 H new ATOM 996 N TYR A 63 -2.791 -19.273 -2.361 1.00 1.42 N ATOM 997 CA TYR A 63 -2.097 -20.461 -2.842 1.00 14.02 C ATOM 998 C TYR A 63 -2.921 -21.245 -3.860 1.00 40.42 C ATOM 999 O TYR A 63 -4.046 -21.650 -3.570 1.00 21.35 O ATOM 1000 CB TYR A 63 -1.669 -21.346 -1.664 1.00 4.20 C ATOM 1001 CG TYR A 63 -2.753 -22.159 -0.977 1.00 35.43 C ATOM 1002 CD1 TYR A 63 -2.994 -23.486 -1.379 1.00 44.44 C ATOM 1003 CD2 TYR A 63 -3.452 -21.628 0.122 1.00 33.34 C ATOM 1004 CE1 TYR A 63 -3.880 -24.297 -0.650 1.00 21.31 C ATOM 1005 CE2 TYR A 63 -4.336 -22.439 0.855 1.00 11.22 C ATOM 1006 CZ TYR A 63 -4.541 -23.777 0.476 1.00 43.24 C ATOM 1007 OH TYR A 63 -5.387 -24.568 1.197 1.00 3.21 O ATOM 0 H TYR A 63 -3.512 -19.474 -1.668 1.00 1.42 H new ATOM 0 HA TYR A 63 -1.201 -20.126 -3.366 1.00 14.02 H new ATOM 0 HB2 TYR A 63 -0.904 -22.036 -2.020 1.00 4.20 H new ATOM 0 HB3 TYR A 63 -1.199 -20.708 -0.915 1.00 4.20 H new ATOM 0 HD1 TYR A 63 -2.496 -23.883 -2.251 1.00 44.44 H new ATOM 0 HD2 TYR A 63 -3.309 -20.595 0.403 1.00 33.34 H new ATOM 0 HE1 TYR A 63 -4.053 -25.319 -0.955 1.00 21.31 H new ATOM 0 HE2 TYR A 63 -4.858 -22.034 1.709 1.00 11.22 H new ATOM 0 HH TYR A 63 -5.760 -24.053 1.943 1.00 3.21 H new ATOM 1017 N LEU A 64 -2.336 -21.490 -5.039 1.00 73.41 N ATOM 1018 CA LEU A 64 -2.845 -22.461 -5.999 1.00 63.15 C ATOM 1019 C LEU A 64 -1.948 -23.700 -5.986 1.00 73.12 C ATOM 1020 O LEU A 64 -0.904 -23.715 -5.334 1.00 52.12 O ATOM 1021 CB LEU A 64 -2.946 -21.839 -7.401 1.00 45.03 C ATOM 1022 CG LEU A 64 -4.066 -20.783 -7.455 1.00 21.21 C ATOM 1023 CD1 LEU A 64 -3.521 -19.375 -7.254 1.00 42.24 C ATOM 1024 CD2 LEU A 64 -4.853 -20.835 -8.767 1.00 61.32 C ATOM 0 H LEU A 64 -1.490 -21.013 -5.350 1.00 73.41 H new ATOM 0 HA LEU A 64 -3.853 -22.763 -5.715 1.00 63.15 H new ATOM 0 HB2 LEU A 64 -1.994 -21.380 -7.669 1.00 45.03 H new ATOM 0 HB3 LEU A 64 -3.141 -22.620 -8.136 1.00 45.03 H new ATOM 0 HG LEU A 64 -4.743 -21.026 -6.636 1.00 21.21 H new ATOM 0 HD11 LEU A 64 -4.341 -18.658 -7.299 1.00 42.24 H new ATOM 0 HD12 LEU A 64 -3.034 -19.309 -6.281 1.00 42.24 H new ATOM 0 HD13 LEU A 64 -2.798 -19.149 -8.038 1.00 42.24 H new ATOM 0 HD21 LEU A 64 -5.631 -20.071 -8.755 1.00 61.32 H new ATOM 0 HD22 LEU A 64 -4.178 -20.653 -9.603 1.00 61.32 H new ATOM 0 HD23 LEU A 64 -5.311 -21.818 -8.878 1.00 61.32 H new ATOM 1036 N LEU A 65 -2.363 -24.736 -6.721 1.00 0.31 N ATOM 1037 CA LEU A 65 -1.619 -25.970 -6.908 1.00 44.23 C ATOM 1038 C LEU A 65 -1.843 -26.394 -8.358 1.00 64.52 C ATOM 1039 O LEU A 65 -2.809 -27.092 -8.650 1.00 75.21 O ATOM 1040 CB LEU A 65 -2.130 -27.021 -5.909 1.00 24.52 C ATOM 1041 CG LEU A 65 -1.384 -28.364 -5.990 1.00 25.41 C ATOM 1042 CD1 LEU A 65 -0.020 -28.293 -5.297 1.00 22.31 C ATOM 1043 CD2 LEU A 65 -2.224 -29.459 -5.325 1.00 12.35 C ATOM 0 H LEU A 65 -3.255 -24.732 -7.215 1.00 0.31 H new ATOM 0 HA LEU A 65 -0.551 -25.849 -6.724 1.00 44.23 H new ATOM 0 HB2 LEU A 65 -2.037 -26.624 -4.898 1.00 24.52 H new ATOM 0 HB3 LEU A 65 -3.191 -27.193 -6.087 1.00 24.52 H new ATOM 0 HG LEU A 65 -1.224 -28.593 -7.043 1.00 25.41 H new ATOM 0 HD11 LEU A 65 0.478 -29.259 -5.374 1.00 22.31 H new ATOM 0 HD12 LEU A 65 0.593 -27.530 -5.777 1.00 22.31 H new ATOM 0 HD13 LEU A 65 -0.159 -28.039 -4.246 1.00 22.31 H new ATOM 0 HD21 LEU A 65 -1.694 -30.410 -5.383 1.00 12.35 H new ATOM 0 HD22 LEU A 65 -2.395 -29.202 -4.280 1.00 12.35 H new ATOM 0 HD23 LEU A 65 -3.182 -29.545 -5.838 1.00 12.35 H new ATOM 1055 N TYR A 66 -0.971 -25.951 -9.271 1.00 2.11 N ATOM 1056 CA TYR A 66 -1.107 -26.230 -10.693 1.00 2.52 C ATOM 1057 C TYR A 66 -0.530 -27.616 -11.003 1.00 63.55 C ATOM 1058 O TYR A 66 0.646 -27.728 -11.351 1.00 51.44 O ATOM 1059 CB TYR A 66 -0.425 -25.116 -11.498 1.00 4.45 C ATOM 1060 CG TYR A 66 -1.200 -23.815 -11.557 1.00 2.42 C ATOM 1061 CD1 TYR A 66 -2.082 -23.578 -12.625 1.00 44.43 C ATOM 1062 CD2 TYR A 66 -0.988 -22.809 -10.594 1.00 41.34 C ATOM 1063 CE1 TYR A 66 -2.729 -22.338 -12.750 1.00 4.00 C ATOM 1064 CE2 TYR A 66 -1.612 -21.558 -10.734 1.00 62.32 C ATOM 1065 CZ TYR A 66 -2.473 -21.316 -11.820 1.00 42.22 C ATOM 1066 OH TYR A 66 -3.049 -20.089 -11.973 1.00 71.34 O ATOM 0 H TYR A 66 -0.152 -25.389 -9.038 1.00 2.11 H new ATOM 0 HA TYR A 66 -2.158 -26.246 -10.981 1.00 2.52 H new ATOM 0 HB2 TYR A 66 0.555 -24.920 -11.064 1.00 4.45 H new ATOM 0 HB3 TYR A 66 -0.258 -25.471 -12.515 1.00 4.45 H new ATOM 0 HD1 TYR A 66 -2.263 -24.354 -13.354 1.00 44.43 H new ATOM 0 HD2 TYR A 66 -0.345 -23.000 -9.747 1.00 41.34 H new ATOM 0 HE1 TYR A 66 -3.423 -22.170 -13.560 1.00 4.00 H new ATOM 0 HE2 TYR A 66 -1.430 -20.781 -10.007 1.00 62.32 H new ATOM 0 HH TYR A 66 -2.766 -19.501 -11.241 1.00 71.34 H new ATOM 1076 N TYR A 67 -1.360 -28.664 -10.860 1.00 42.02 N ATOM 1077 CA TYR A 67 -0.946 -30.054 -11.019 1.00 54.02 C ATOM 1078 C TYR A 67 -1.361 -30.605 -12.386 1.00 31.32 C ATOM 1079 O TYR A 67 -2.540 -30.859 -12.621 1.00 14.52 O ATOM 1080 CB TYR A 67 -1.462 -30.929 -9.857 1.00 63.51 C ATOM 1081 CG TYR A 67 -2.966 -31.105 -9.707 1.00 73.42 C ATOM 1082 CD1 TYR A 67 -3.704 -30.224 -8.898 1.00 52.23 C ATOM 1083 CD2 TYR A 67 -3.607 -32.231 -10.258 1.00 51.35 C ATOM 1084 CE1 TYR A 67 -5.095 -30.377 -8.766 1.00 71.21 C ATOM 1085 CE2 TYR A 67 -4.991 -32.411 -10.096 1.00 31.54 C ATOM 1086 CZ TYR A 67 -5.741 -31.469 -9.372 1.00 60.21 C ATOM 1087 OH TYR A 67 -7.093 -31.618 -9.257 1.00 25.22 O ATOM 0 H TYR A 67 -2.348 -28.560 -10.628 1.00 42.02 H new ATOM 0 HA TYR A 67 0.143 -30.086 -10.981 1.00 54.02 H new ATOM 0 HB2 TYR A 67 -1.019 -31.919 -9.963 1.00 63.51 H new ATOM 0 HB3 TYR A 67 -1.081 -30.507 -8.927 1.00 63.51 H new ATOM 0 HD1 TYR A 67 -3.200 -29.425 -8.375 1.00 52.23 H new ATOM 0 HD2 TYR A 67 -3.032 -32.961 -10.808 1.00 51.35 H new ATOM 0 HE1 TYR A 67 -5.667 -29.657 -8.200 1.00 71.21 H new ATOM 0 HE2 TYR A 67 -5.478 -33.273 -10.528 1.00 31.54 H new ATOM 0 HH TYR A 67 -7.375 -32.425 -9.737 1.00 25.22 H new ATOM 1097 N THR A 68 -0.389 -30.820 -13.281 1.00 13.02 N ATOM 1098 CA THR A 68 -0.584 -31.597 -14.502 1.00 1.44 C ATOM 1099 C THR A 68 -0.119 -33.038 -14.278 1.00 61.23 C ATOM 1100 O THR A 68 0.720 -33.284 -13.412 1.00 2.10 O ATOM 1101 CB THR A 68 0.162 -30.946 -15.676 1.00 63.32 C ATOM 1102 OG1 THR A 68 -0.252 -31.578 -16.868 1.00 12.30 O ATOM 1103 CG2 THR A 68 1.689 -31.034 -15.567 1.00 53.14 C ATOM 0 H THR A 68 0.558 -30.456 -13.174 1.00 13.02 H new ATOM 0 HA THR A 68 -1.645 -31.614 -14.753 1.00 1.44 H new ATOM 0 HB THR A 68 -0.086 -29.885 -15.666 1.00 63.32 H new ATOM 0 HG1 THR A 68 0.485 -32.115 -17.226 1.00 12.30 H new ATOM 0 HG21 THR A 68 2.144 -30.552 -16.433 1.00 53.14 H new ATOM 0 HG22 THR A 68 2.018 -30.532 -14.657 1.00 53.14 H new ATOM 0 HG23 THR A 68 1.992 -32.081 -15.533 1.00 53.14 H new ATOM 1111 N GLU A 69 -0.631 -33.977 -15.085 1.00 62.32 N ATOM 1112 CA GLU A 69 -0.165 -35.357 -15.106 1.00 53.41 C ATOM 1113 C GLU A 69 1.000 -35.457 -16.096 1.00 24.14 C ATOM 1114 O GLU A 69 0.782 -35.565 -17.302 1.00 34.15 O ATOM 1115 CB GLU A 69 -1.333 -36.294 -15.460 1.00 25.30 C ATOM 1116 CG GLU A 69 -1.048 -37.751 -15.066 1.00 33.22 C ATOM 1117 CD GLU A 69 0.135 -38.353 -15.821 1.00 52.11 C ATOM 1118 OE1 GLU A 69 1.231 -38.394 -15.222 1.00 42.35 O ATOM 1119 OE2 GLU A 69 -0.076 -38.759 -16.984 1.00 12.30 O ATOM 0 H GLU A 69 -1.387 -33.792 -15.745 1.00 62.32 H new ATOM 0 HA GLU A 69 0.197 -35.668 -14.126 1.00 53.41 H new ATOM 0 HB2 GLU A 69 -2.236 -35.953 -14.954 1.00 25.30 H new ATOM 0 HB3 GLU A 69 -1.528 -36.240 -16.531 1.00 25.30 H new ATOM 0 HG2 GLU A 69 -0.851 -37.800 -13.995 1.00 33.22 H new ATOM 0 HG3 GLU A 69 -1.937 -38.353 -15.255 1.00 33.22 H new ATOM 1126 N PHE A 70 2.235 -35.411 -15.579 1.00 44.42 N ATOM 1127 CA PHE A 70 3.455 -35.452 -16.372 1.00 43.25 C ATOM 1128 C PHE A 70 4.027 -36.871 -16.470 1.00 44.01 C ATOM 1129 O PHE A 70 4.159 -37.558 -15.458 1.00 34.53 O ATOM 1130 CB PHE A 70 4.481 -34.467 -15.801 1.00 43.03 C ATOM 1131 CG PHE A 70 5.247 -34.880 -14.559 1.00 40.33 C ATOM 1132 CD1 PHE A 70 4.752 -34.564 -13.283 1.00 24.44 C ATOM 1133 CD2 PHE A 70 6.524 -35.458 -14.686 1.00 53.03 C ATOM 1134 CE1 PHE A 70 5.543 -34.787 -12.143 1.00 24.30 C ATOM 1135 CE2 PHE A 70 7.283 -35.746 -13.540 1.00 23.41 C ATOM 1136 CZ PHE A 70 6.810 -35.378 -12.272 1.00 22.21 C ATOM 0 H PHE A 70 2.410 -35.343 -14.576 1.00 44.42 H new ATOM 0 HA PHE A 70 3.211 -35.148 -17.390 1.00 43.25 H new ATOM 0 HB2 PHE A 70 5.207 -34.249 -16.584 1.00 43.03 H new ATOM 0 HB3 PHE A 70 3.962 -33.535 -15.579 1.00 43.03 H new ATOM 0 HD1 PHE A 70 3.761 -34.148 -13.178 1.00 24.44 H new ATOM 0 HD2 PHE A 70 6.921 -35.680 -15.666 1.00 53.03 H new ATOM 0 HE1 PHE A 70 5.176 -34.504 -11.168 1.00 24.30 H new ATOM 0 HE2 PHE A 70 8.233 -36.252 -13.635 1.00 23.41 H new ATOM 0 HZ PHE A 70 7.419 -35.549 -11.397 1.00 22.21 H new ATOM 1146 N THR A 71 4.382 -37.294 -17.691 1.00 42.42 N ATOM 1147 CA THR A 71 4.985 -38.593 -17.975 1.00 13.35 C ATOM 1148 C THR A 71 6.451 -38.391 -18.392 1.00 72.33 C ATOM 1149 O THR A 71 6.702 -38.114 -19.564 1.00 42.21 O ATOM 1150 CB THR A 71 4.176 -39.282 -19.089 1.00 52.44 C ATOM 1151 OG1 THR A 71 2.811 -39.336 -18.725 1.00 34.55 O ATOM 1152 CG2 THR A 71 4.674 -40.711 -19.346 1.00 12.12 C ATOM 0 H THR A 71 4.252 -36.724 -18.527 1.00 42.42 H new ATOM 0 HA THR A 71 4.968 -39.228 -17.089 1.00 13.35 H new ATOM 0 HB THR A 71 4.305 -38.698 -20.000 1.00 52.44 H new ATOM 0 HG1 THR A 71 2.300 -39.774 -19.437 1.00 34.55 H new ATOM 0 HG21 THR A 71 4.080 -41.166 -20.138 1.00 12.12 H new ATOM 0 HG22 THR A 71 5.721 -40.683 -19.648 1.00 12.12 H new ATOM 0 HG23 THR A 71 4.575 -41.300 -18.434 1.00 12.12 H new ATOM 1160 N PRO A 72 7.427 -38.513 -17.474 1.00 32.43 N ATOM 1161 CA PRO A 72 8.837 -38.296 -17.763 1.00 74.14 C ATOM 1162 C PRO A 72 9.412 -39.527 -18.470 1.00 42.41 C ATOM 1163 O PRO A 72 10.060 -40.366 -17.847 1.00 62.54 O ATOM 1164 CB PRO A 72 9.481 -38.041 -16.398 1.00 40.24 C ATOM 1165 CG PRO A 72 8.648 -38.919 -15.466 1.00 43.34 C ATOM 1166 CD PRO A 72 7.246 -38.853 -16.074 1.00 71.43 C ATOM 0 HA PRO A 72 9.021 -37.457 -18.434 1.00 74.14 H new ATOM 0 HB2 PRO A 72 10.534 -38.324 -16.388 1.00 40.24 H new ATOM 0 HB3 PRO A 72 9.431 -36.989 -16.116 1.00 40.24 H new ATOM 0 HG2 PRO A 72 9.024 -39.941 -15.435 1.00 43.34 H new ATOM 0 HG3 PRO A 72 8.660 -38.543 -14.443 1.00 43.34 H new ATOM 0 HD2 PRO A 72 6.731 -39.808 -15.969 1.00 71.43 H new ATOM 0 HD3 PRO A 72 6.637 -38.105 -15.567 1.00 71.43 H new ATOM 1174 N THR A 73 9.157 -39.625 -19.780 1.00 62.43 N ATOM 1175 CA THR A 73 9.551 -40.742 -20.624 1.00 53.21 C ATOM 1176 C THR A 73 11.063 -40.971 -20.551 1.00 1.24 C ATOM 1177 O THR A 73 11.499 -42.028 -20.097 1.00 11.10 O ATOM 1178 CB THR A 73 9.064 -40.484 -22.060 1.00 13.04 C ATOM 1179 OG1 THR A 73 7.669 -40.254 -22.049 1.00 75.15 O ATOM 1180 CG2 THR A 73 9.363 -41.667 -22.988 1.00 72.52 C ATOM 0 H THR A 73 8.653 -38.901 -20.292 1.00 62.43 H new ATOM 0 HA THR A 73 9.084 -41.660 -20.267 1.00 53.21 H new ATOM 0 HB THR A 73 9.597 -39.612 -22.437 1.00 13.04 H new ATOM 0 HG1 THR A 73 7.358 -40.088 -22.963 1.00 75.15 H new ATOM 0 HG21 THR A 73 9.002 -41.442 -23.992 1.00 72.52 H new ATOM 0 HG22 THR A 73 10.438 -41.842 -23.019 1.00 72.52 H new ATOM 0 HG23 THR A 73 8.861 -42.559 -22.613 1.00 72.52 H new ATOM 1188 N GLU A 74 11.856 -39.977 -20.976 1.00 0.40 N ATOM 1189 CA GLU A 74 13.308 -40.019 -20.893 1.00 23.24 C ATOM 1190 C GLU A 74 13.873 -38.598 -20.926 1.00 23.31 C ATOM 1191 O GLU A 74 14.193 -38.041 -19.876 1.00 33.43 O ATOM 1192 CB GLU A 74 13.885 -40.920 -21.999 1.00 4.35 C ATOM 1193 CG GLU A 74 15.411 -41.037 -21.895 1.00 33.54 C ATOM 1194 CD GLU A 74 15.975 -41.902 -23.017 1.00 2.01 C ATOM 1195 OE1 GLU A 74 16.048 -43.133 -22.809 1.00 32.54 O ATOM 1196 OE2 GLU A 74 16.321 -41.316 -24.067 1.00 52.33 O ATOM 0 H GLU A 74 11.496 -39.117 -21.390 1.00 0.40 H new ATOM 0 HA GLU A 74 13.610 -40.462 -19.944 1.00 23.24 H new ATOM 0 HB2 GLU A 74 13.438 -41.912 -21.931 1.00 4.35 H new ATOM 0 HB3 GLU A 74 13.616 -40.516 -22.975 1.00 4.35 H new ATOM 0 HG2 GLU A 74 15.858 -40.044 -21.938 1.00 33.54 H new ATOM 0 HG3 GLU A 74 15.681 -41.467 -20.930 1.00 33.54 H new ATOM 1203 N LYS A 75 14.014 -38.024 -22.128 1.00 61.23 N ATOM 1204 CA LYS A 75 14.667 -36.744 -22.356 1.00 53.34 C ATOM 1205 C LYS A 75 13.616 -35.632 -22.317 1.00 31.35 C ATOM 1206 O LYS A 75 13.493 -34.843 -23.253 1.00 12.11 O ATOM 1207 CB LYS A 75 15.426 -36.822 -23.691 1.00 75.13 C ATOM 1208 CG LYS A 75 16.395 -35.652 -23.905 1.00 43.21 C ATOM 1209 CD LYS A 75 17.119 -35.825 -25.246 1.00 73.24 C ATOM 1210 CE LYS A 75 18.000 -34.617 -25.582 1.00 23.23 C ATOM 1211 NZ LYS A 75 17.197 -33.408 -25.833 1.00 13.02 N ATOM 0 H LYS A 75 13.666 -38.454 -22.985 1.00 61.23 H new ATOM 0 HA LYS A 75 15.395 -36.513 -21.578 1.00 53.34 H new ATOM 0 HB2 LYS A 75 15.983 -37.758 -23.731 1.00 75.13 H new ATOM 0 HB3 LYS A 75 14.707 -36.844 -24.510 1.00 75.13 H new ATOM 0 HG2 LYS A 75 15.850 -34.708 -23.893 1.00 43.21 H new ATOM 0 HG3 LYS A 75 17.119 -35.612 -23.091 1.00 43.21 H new ATOM 0 HD2 LYS A 75 17.734 -36.724 -25.213 1.00 73.24 H new ATOM 0 HD3 LYS A 75 16.385 -35.970 -26.038 1.00 73.24 H new ATOM 0 HE2 LYS A 75 18.690 -34.431 -24.759 1.00 23.23 H new ATOM 0 HE3 LYS A 75 18.604 -34.841 -26.461 1.00 23.23 H new ATOM 0 HZ1 LYS A 75 17.796 -32.677 -26.267 1.00 13.02 H new ATOM 0 HZ2 LYS A 75 16.413 -33.639 -26.476 1.00 13.02 H new ATOM 0 HZ3 LYS A 75 16.814 -33.053 -24.934 1.00 13.02 H new ATOM 1225 N ASP A 76 12.846 -35.586 -21.225 1.00 1.34 N ATOM 1226 CA ASP A 76 11.795 -34.600 -21.023 1.00 41.21 C ATOM 1227 C ASP A 76 12.330 -33.402 -20.241 1.00 45.25 C ATOM 1228 O ASP A 76 13.341 -33.504 -19.547 1.00 73.51 O ATOM 1229 CB ASP A 76 10.603 -35.230 -20.294 1.00 64.21 C ATOM 1230 CG ASP A 76 9.913 -36.308 -21.126 1.00 13.11 C ATOM 1231 OD1 ASP A 76 10.501 -37.405 -21.239 1.00 73.43 O ATOM 1232 OD2 ASP A 76 8.805 -36.017 -21.628 1.00 64.12 O ATOM 0 H ASP A 76 12.941 -36.243 -20.451 1.00 1.34 H new ATOM 0 HA ASP A 76 11.456 -34.250 -21.998 1.00 41.21 H new ATOM 0 HB2 ASP A 76 10.944 -35.664 -19.354 1.00 64.21 H new ATOM 0 HB3 ASP A 76 9.882 -34.452 -20.043 1.00 64.21 H new ATOM 1237 N GLU A 77 11.635 -32.265 -20.359 1.00 4.34 N ATOM 1238 CA GLU A 77 11.981 -31.021 -19.693 1.00 63.43 C ATOM 1239 C GLU A 77 10.702 -30.233 -19.400 1.00 51.42 C ATOM 1240 O GLU A 77 10.101 -29.638 -20.293 1.00 15.32 O ATOM 1241 CB GLU A 77 13.033 -30.224 -20.488 1.00 43.12 C ATOM 1242 CG GLU A 77 12.767 -30.038 -21.992 1.00 4.02 C ATOM 1243 CD GLU A 77 12.982 -31.311 -22.811 1.00 51.01 C ATOM 1244 OE1 GLU A 77 14.134 -31.798 -22.820 1.00 52.44 O ATOM 1245 OE2 GLU A 77 11.992 -31.772 -23.420 1.00 40.33 O ATOM 0 H GLU A 77 10.797 -32.191 -20.936 1.00 4.34 H new ATOM 0 HA GLU A 77 12.458 -31.236 -18.737 1.00 63.43 H new ATOM 0 HB2 GLU A 77 13.127 -29.237 -20.034 1.00 43.12 H new ATOM 0 HB3 GLU A 77 13.996 -30.721 -20.372 1.00 43.12 H new ATOM 0 HG2 GLU A 77 11.742 -29.694 -22.132 1.00 4.02 H new ATOM 0 HG3 GLU A 77 13.421 -29.254 -22.374 1.00 4.02 H new ATOM 1252 N TYR A 78 10.283 -30.261 -18.129 1.00 2.34 N ATOM 1253 CA TYR A 78 9.068 -29.632 -17.635 1.00 41.12 C ATOM 1254 C TYR A 78 9.385 -28.261 -17.049 1.00 3.22 C ATOM 1255 O TYR A 78 10.439 -28.076 -16.441 1.00 61.33 O ATOM 1256 CB TYR A 78 8.443 -30.530 -16.563 1.00 20.22 C ATOM 1257 CG TYR A 78 8.001 -31.870 -17.110 1.00 15.12 C ATOM 1258 CD1 TYR A 78 8.890 -32.961 -17.134 1.00 32.22 C ATOM 1259 CD2 TYR A 78 6.749 -31.975 -17.738 1.00 3.10 C ATOM 1260 CE1 TYR A 78 8.515 -34.162 -17.760 1.00 24.34 C ATOM 1261 CE2 TYR A 78 6.397 -33.158 -18.402 1.00 12.42 C ATOM 1262 CZ TYR A 78 7.284 -34.244 -18.433 1.00 53.34 C ATOM 1263 OH TYR A 78 6.937 -35.370 -19.116 1.00 24.53 O ATOM 0 H TYR A 78 10.805 -30.741 -17.396 1.00 2.34 H new ATOM 0 HA TYR A 78 8.366 -29.500 -18.458 1.00 41.12 H new ATOM 0 HB2 TYR A 78 9.165 -30.689 -15.762 1.00 20.22 H new ATOM 0 HB3 TYR A 78 7.586 -30.021 -16.123 1.00 20.22 H new ATOM 0 HD1 TYR A 78 9.862 -32.875 -16.671 1.00 32.22 H new ATOM 0 HD2 TYR A 78 6.058 -31.145 -17.709 1.00 3.10 H new ATOM 0 HE1 TYR A 78 9.171 -35.019 -17.724 1.00 24.34 H new ATOM 0 HE2 TYR A 78 5.438 -33.234 -18.892 1.00 12.42 H new ATOM 0 HH TYR A 78 7.552 -35.499 -19.868 1.00 24.53 H new ATOM 1273 N ALA A 79 8.457 -27.311 -17.215 1.00 5.40 N ATOM 1274 CA ALA A 79 8.584 -25.990 -16.628 1.00 3.30 C ATOM 1275 C ALA A 79 7.222 -25.310 -16.517 1.00 44.23 C ATOM 1276 O ALA A 79 6.538 -25.105 -17.521 1.00 54.42 O ATOM 1277 CB ALA A 79 9.554 -25.127 -17.441 1.00 14.30 C ATOM 0 H ALA A 79 7.604 -27.444 -17.759 1.00 5.40 H new ATOM 0 HA ALA A 79 8.988 -26.105 -15.622 1.00 3.30 H new ATOM 0 HB1 ALA A 79 9.635 -24.141 -16.984 1.00 14.30 H new ATOM 0 HB2 ALA A 79 10.536 -25.600 -17.458 1.00 14.30 H new ATOM 0 HB3 ALA A 79 9.183 -25.025 -18.461 1.00 14.30 H new ATOM 1283 N CYS A 80 6.868 -24.918 -15.288 1.00 25.40 N ATOM 1284 CA CYS A 80 5.797 -23.976 -15.020 1.00 31.20 C ATOM 1285 C CYS A 80 6.346 -22.574 -15.271 1.00 51.55 C ATOM 1286 O CYS A 80 7.355 -22.192 -14.679 1.00 51.03 O ATOM 1287 CB CYS A 80 5.274 -24.155 -13.588 1.00 33.13 C ATOM 1288 SG CYS A 80 4.240 -25.635 -13.382 1.00 1.02 S ATOM 0 H CYS A 80 7.330 -25.257 -14.444 1.00 25.40 H new ATOM 0 HA CYS A 80 4.945 -24.148 -15.677 1.00 31.20 H new ATOM 0 HB2 CYS A 80 6.120 -24.213 -12.904 1.00 33.13 H new ATOM 0 HB3 CYS A 80 4.697 -23.274 -13.306 1.00 33.13 H new ATOM 1293 N ARG A 81 5.704 -21.832 -16.182 1.00 13.32 N ATOM 1294 CA ARG A 81 6.105 -20.487 -16.562 1.00 13.54 C ATOM 1295 C ARG A 81 5.349 -19.512 -15.676 1.00 63.43 C ATOM 1296 O ARG A 81 4.237 -19.110 -16.009 1.00 41.41 O ATOM 1297 CB ARG A 81 5.806 -20.237 -18.042 1.00 45.11 C ATOM 1298 CG ARG A 81 6.614 -21.194 -18.921 1.00 54.22 C ATOM 1299 CD ARG A 81 6.634 -20.704 -20.370 1.00 41.21 C ATOM 1300 NE ARG A 81 5.281 -20.660 -20.937 1.00 21.41 N ATOM 1301 CZ ARG A 81 4.927 -20.017 -22.063 1.00 3.24 C ATOM 1302 NH1 ARG A 81 5.812 -19.281 -22.751 1.00 23.11 N ATOM 1303 NH2 ARG A 81 3.667 -20.120 -22.505 1.00 60.21 N ATOM 0 H ARG A 81 4.878 -22.163 -16.680 1.00 13.32 H new ATOM 0 HA ARG A 81 7.178 -20.354 -16.426 1.00 13.54 H new ATOM 0 HB2 ARG A 81 4.741 -20.371 -18.232 1.00 45.11 H new ATOM 0 HB3 ARG A 81 6.048 -19.206 -18.299 1.00 45.11 H new ATOM 0 HG2 ARG A 81 7.633 -21.271 -18.543 1.00 54.22 H new ATOM 0 HG3 ARG A 81 6.181 -22.193 -18.875 1.00 54.22 H new ATOM 0 HD2 ARG A 81 7.082 -19.711 -20.414 1.00 41.21 H new ATOM 0 HD3 ARG A 81 7.261 -21.363 -20.970 1.00 41.21 H new ATOM 0 HE ARG A 81 4.547 -21.159 -20.434 1.00 21.41 H new ATOM 0 HH11 ARG A 81 6.774 -19.201 -22.422 1.00 23.11 H new ATOM 0 HH12 ARG A 81 5.523 -18.801 -23.603 1.00 23.11 H new ATOM 0 HH21 ARG A 81 2.990 -20.681 -21.989 1.00 60.21 H new ATOM 0 HH22 ARG A 81 3.385 -19.637 -23.358 1.00 60.21 H new ATOM 1317 N VAL A 82 5.941 -19.173 -14.527 1.00 12.24 N ATOM 1318 CA VAL A 82 5.221 -18.529 -13.439 1.00 71.51 C ATOM 1319 C VAL A 82 5.280 -17.015 -13.640 1.00 3.00 C ATOM 1320 O VAL A 82 5.942 -16.305 -12.885 1.00 61.23 O ATOM 1321 CB VAL A 82 5.769 -18.998 -12.075 1.00 23.11 C ATOM 1322 CG1 VAL A 82 4.865 -18.506 -10.939 1.00 41.02 C ATOM 1323 CG2 VAL A 82 5.825 -20.529 -11.982 1.00 72.41 C ATOM 0 H VAL A 82 6.928 -19.339 -14.331 1.00 12.24 H new ATOM 0 HA VAL A 82 4.170 -18.818 -13.445 1.00 71.51 H new ATOM 0 HB VAL A 82 6.774 -18.586 -11.984 1.00 23.11 H new ATOM 0 HG11 VAL A 82 5.265 -18.845 -9.983 1.00 41.02 H new ATOM 0 HG12 VAL A 82 4.826 -17.417 -10.951 1.00 41.02 H new ATOM 0 HG13 VAL A 82 3.860 -18.906 -11.074 1.00 41.02 H new ATOM 0 HG21 VAL A 82 6.216 -20.820 -11.007 1.00 72.41 H new ATOM 0 HG22 VAL A 82 4.823 -20.938 -12.108 1.00 72.41 H new ATOM 0 HG23 VAL A 82 6.476 -20.918 -12.765 1.00 72.41 H new ATOM 1333 N ASN A 83 4.581 -16.522 -14.669 1.00 22.23 N ATOM 1334 CA ASN A 83 4.464 -15.098 -14.933 1.00 72.33 C ATOM 1335 C ASN A 83 3.434 -14.515 -13.968 1.00 34.14 C ATOM 1336 O ASN A 83 2.546 -15.222 -13.491 1.00 74.24 O ATOM 1337 CB ASN A 83 4.072 -14.846 -16.396 1.00 63.43 C ATOM 1338 CG ASN A 83 5.168 -15.246 -17.379 1.00 13.44 C ATOM 1339 OD1 ASN A 83 5.829 -14.383 -17.952 1.00 55.54 O ATOM 1340 ND2 ASN A 83 5.351 -16.552 -17.597 1.00 73.35 N ATOM 0 H ASN A 83 4.082 -17.107 -15.339 1.00 22.23 H new ATOM 0 HA ASN A 83 5.424 -14.607 -14.776 1.00 72.33 H new ATOM 0 HB2 ASN A 83 3.164 -15.403 -16.625 1.00 63.43 H new ATOM 0 HB3 ASN A 83 3.840 -13.789 -16.528 1.00 63.43 H new ATOM 0 HD21 ASN A 83 6.061 -16.864 -18.260 1.00 73.35 H new ATOM 0 HD22 ASN A 83 4.781 -17.237 -17.100 1.00 73.35 H new ATOM 1347 N HIS A 84 3.583 -13.227 -13.657 1.00 0.00 N ATOM 1348 CA HIS A 84 2.755 -12.513 -12.698 1.00 0.00 C ATOM 1349 C HIS A 84 2.895 -11.015 -12.973 1.00 0.00 C ATOM 1350 O HIS A 84 3.825 -10.604 -13.665 1.00 0.00 O ATOM 1351 CB HIS A 84 3.204 -12.883 -11.277 1.00 0.00 C ATOM 1352 CG HIS A 84 2.406 -12.219 -10.187 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.962 -11.223 -9.389 1.00 0.00 N ATOM 1354 CD2 HIS A 84 1.110 -12.423 -9.797 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.985 -10.869 -8.553 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.843 -11.534 -8.779 1.00 0.00 N ATOM 0 H HIS A 84 4.303 -12.641 -14.079 1.00 0.00 H new ATOM 0 HA HIS A 84 1.704 -12.786 -12.793 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.135 -13.964 -11.156 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.254 -12.615 -11.158 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.424 -13.147 -10.211 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.101 -10.127 -7.777 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.045 -11.407 -8.294 1.00 0.00 H new ATOM 1364 N VAL A 85 1.978 -10.196 -12.448 1.00 14.45 N ATOM 1365 CA VAL A 85 1.989 -8.758 -12.684 1.00 21.22 C ATOM 1366 C VAL A 85 3.283 -8.102 -12.182 1.00 61.31 C ATOM 1367 O VAL A 85 3.800 -7.203 -12.844 1.00 34.52 O ATOM 1368 CB VAL A 85 0.707 -8.109 -12.131 1.00 24.43 C ATOM 1369 CG1 VAL A 85 0.584 -8.181 -10.605 1.00 43.12 C ATOM 1370 CG2 VAL A 85 0.584 -6.652 -12.594 1.00 2.24 C ATOM 0 H VAL A 85 1.214 -10.514 -11.852 1.00 14.45 H new ATOM 0 HA VAL A 85 1.986 -8.583 -13.760 1.00 21.22 H new ATOM 0 HB VAL A 85 -0.114 -8.697 -12.540 1.00 24.43 H new ATOM 0 HG11 VAL A 85 -0.344 -7.703 -10.292 1.00 43.12 H new ATOM 0 HG12 VAL A 85 0.580 -9.224 -10.289 1.00 43.12 H new ATOM 0 HG13 VAL A 85 1.429 -7.667 -10.147 1.00 43.12 H new ATOM 0 HG21 VAL A 85 -0.330 -6.218 -12.189 1.00 2.24 H new ATOM 0 HG22 VAL A 85 1.444 -6.084 -12.239 1.00 2.24 H new ATOM 0 HG23 VAL A 85 0.551 -6.618 -13.683 1.00 2.24 H new ATOM 1380 N THR A 86 3.834 -8.564 -11.049 1.00 24.34 N ATOM 1381 CA THR A 86 5.088 -8.044 -10.516 1.00 63.15 C ATOM 1382 C THR A 86 6.286 -8.559 -11.319 1.00 33.24 C ATOM 1383 O THR A 86 7.174 -7.778 -11.657 1.00 51.42 O ATOM 1384 CB THR A 86 5.237 -8.367 -9.021 1.00 3.30 C ATOM 1385 OG1 THR A 86 5.354 -9.756 -8.799 1.00 1.25 O ATOM 1386 CG2 THR A 86 4.065 -7.807 -8.212 1.00 5.15 C ATOM 0 H THR A 86 3.420 -9.305 -10.484 1.00 24.34 H new ATOM 0 HA THR A 86 5.065 -6.959 -10.616 1.00 63.15 H new ATOM 0 HB THR A 86 6.155 -7.887 -8.683 1.00 3.30 H new ATOM 0 HG1 THR A 86 4.505 -10.195 -9.018 1.00 1.25 H new ATOM 0 HG21 THR A 86 4.200 -8.052 -7.159 1.00 5.15 H new ATOM 0 HG22 THR A 86 4.026 -6.724 -8.330 1.00 5.15 H new ATOM 0 HG23 THR A 86 3.133 -8.245 -8.570 1.00 5.15 H new ATOM 1394 N LEU A 87 6.322 -9.867 -11.612 1.00 61.35 N ATOM 1395 CA LEU A 87 7.443 -10.503 -12.293 1.00 2.31 C ATOM 1396 C LEU A 87 7.546 -10.032 -13.742 1.00 62.34 C ATOM 1397 O LEU A 87 8.567 -9.462 -14.120 1.00 24.43 O ATOM 1398 CB LEU A 87 7.319 -12.032 -12.228 1.00 32.31 C ATOM 1399 CG LEU A 87 7.440 -12.612 -10.809 1.00 1.33 C ATOM 1400 CD1 LEU A 87 7.167 -14.117 -10.885 1.00 74.11 C ATOM 1401 CD2 LEU A 87 8.831 -12.391 -10.202 1.00 4.34 C ATOM 0 H LEU A 87 5.566 -10.511 -11.379 1.00 61.35 H new ATOM 0 HA LEU A 87 8.358 -10.209 -11.779 1.00 2.31 H new ATOM 0 HB2 LEU A 87 6.357 -12.326 -12.648 1.00 32.31 H new ATOM 0 HB3 LEU A 87 8.091 -12.475 -12.857 1.00 32.31 H new ATOM 0 HG LEU A 87 6.720 -12.101 -10.170 1.00 1.33 H new ATOM 0 HD11 LEU A 87 7.247 -14.552 -9.889 1.00 74.11 H new ATOM 0 HD12 LEU A 87 6.163 -14.285 -11.275 1.00 74.11 H new ATOM 0 HD13 LEU A 87 7.896 -14.586 -11.546 1.00 74.11 H new ATOM 0 HD21 LEU A 87 8.863 -12.819 -9.200 1.00 4.34 H new ATOM 0 HD22 LEU A 87 9.582 -12.874 -10.827 1.00 4.34 H new ATOM 0 HD23 LEU A 87 9.038 -11.322 -10.147 1.00 4.34 H new ATOM 1413 N SER A 88 6.503 -10.298 -14.542 1.00 52.53 N ATOM 1414 CA SER A 88 6.375 -9.968 -15.959 1.00 34.32 C ATOM 1415 C SER A 88 7.192 -10.911 -16.849 1.00 65.12 C ATOM 1416 O SER A 88 6.662 -11.454 -17.816 1.00 54.24 O ATOM 1417 CB SER A 88 6.685 -8.489 -16.234 1.00 63.22 C ATOM 1418 OG SER A 88 6.352 -8.168 -17.567 1.00 22.54 O ATOM 0 H SER A 88 5.677 -10.780 -14.189 1.00 52.53 H new ATOM 0 HA SER A 88 5.330 -10.123 -16.226 1.00 34.32 H new ATOM 0 HB2 SER A 88 6.122 -7.857 -15.547 1.00 63.22 H new ATOM 0 HB3 SER A 88 7.742 -8.291 -16.056 1.00 63.22 H new ATOM 0 HG SER A 88 6.551 -7.223 -17.735 1.00 22.54 H new ATOM 1424 N GLN A 89 8.477 -11.097 -16.527 1.00 4.00 N ATOM 1425 CA GLN A 89 9.411 -11.911 -17.290 1.00 32.50 C ATOM 1426 C GLN A 89 9.016 -13.394 -17.228 1.00 13.41 C ATOM 1427 O GLN A 89 8.434 -13.822 -16.231 1.00 32.13 O ATOM 1428 CB GLN A 89 10.828 -11.697 -16.729 1.00 74.13 C ATOM 1429 CG GLN A 89 11.263 -10.224 -16.725 1.00 71.13 C ATOM 1430 CD GLN A 89 11.140 -9.577 -18.102 1.00 2.33 C ATOM 1431 OE1 GLN A 89 10.232 -8.784 -18.338 1.00 40.31 O ATOM 1432 NE2 GLN A 89 12.052 -9.918 -19.016 1.00 40.03 N ATOM 0 H GLN A 89 8.901 -10.670 -15.704 1.00 4.00 H new ATOM 0 HA GLN A 89 9.387 -11.610 -18.337 1.00 32.50 H new ATOM 0 HB2 GLN A 89 10.871 -12.084 -15.711 1.00 74.13 H new ATOM 0 HB3 GLN A 89 11.537 -12.277 -17.320 1.00 74.13 H new ATOM 0 HG2 GLN A 89 10.654 -9.670 -16.011 1.00 71.13 H new ATOM 0 HG3 GLN A 89 12.296 -10.154 -16.385 1.00 71.13 H new ATOM 0 HE21 GLN A 89 12.790 -10.581 -18.778 1.00 40.03 H new ATOM 0 HE22 GLN A 89 12.011 -9.516 -19.952 1.00 40.03 H new ATOM 1441 N PRO A 90 9.325 -14.187 -18.272 1.00 72.14 N ATOM 1442 CA PRO A 90 9.019 -15.609 -18.321 1.00 22.41 C ATOM 1443 C PRO A 90 9.835 -16.356 -17.266 1.00 71.23 C ATOM 1444 O PRO A 90 11.047 -16.510 -17.412 1.00 53.41 O ATOM 1445 CB PRO A 90 9.355 -16.058 -19.746 1.00 12.30 C ATOM 1446 CG PRO A 90 10.429 -15.066 -20.189 1.00 74.32 C ATOM 1447 CD PRO A 90 10.003 -13.774 -19.492 1.00 34.55 C ATOM 0 HA PRO A 90 7.974 -15.821 -18.097 1.00 22.41 H new ATOM 0 HB2 PRO A 90 9.723 -17.084 -19.767 1.00 12.30 H new ATOM 0 HB3 PRO A 90 8.481 -16.019 -20.396 1.00 12.30 H new ATOM 0 HG2 PRO A 90 11.425 -15.383 -19.880 1.00 74.32 H new ATOM 0 HG3 PRO A 90 10.453 -14.952 -21.273 1.00 74.32 H new ATOM 0 HD2 PRO A 90 10.866 -13.148 -19.267 1.00 34.55 H new ATOM 0 HD3 PRO A 90 9.341 -13.187 -20.128 1.00 34.55 H new ATOM 1455 N LYS A 91 9.168 -16.803 -16.194 1.00 4.44 N ATOM 1456 CA LYS A 91 9.819 -17.430 -15.060 1.00 52.53 C ATOM 1457 C LYS A 91 9.847 -18.932 -15.323 1.00 13.30 C ATOM 1458 O LYS A 91 9.000 -19.665 -14.816 1.00 74.44 O ATOM 1459 CB LYS A 91 9.057 -17.060 -13.777 1.00 51.14 C ATOM 1460 CG LYS A 91 9.757 -17.529 -12.493 1.00 1.44 C ATOM 1461 CD LYS A 91 10.922 -16.607 -12.106 1.00 51.41 C ATOM 1462 CE LYS A 91 11.637 -17.097 -10.842 1.00 63.24 C ATOM 1463 NZ LYS A 91 12.350 -18.366 -11.071 1.00 35.31 N ATOM 0 H LYS A 91 8.155 -16.734 -16.099 1.00 4.44 H new ATOM 0 HA LYS A 91 10.844 -17.085 -14.927 1.00 52.53 H new ATOM 0 HB2 LYS A 91 8.930 -15.978 -13.738 1.00 51.14 H new ATOM 0 HB3 LYS A 91 8.059 -17.496 -13.818 1.00 51.14 H new ATOM 0 HG2 LYS A 91 9.035 -17.563 -11.677 1.00 1.44 H new ATOM 0 HG3 LYS A 91 10.128 -18.544 -12.632 1.00 1.44 H new ATOM 0 HD2 LYS A 91 11.634 -16.555 -12.930 1.00 51.41 H new ATOM 0 HD3 LYS A 91 10.548 -15.596 -11.944 1.00 51.41 H new ATOM 0 HE2 LYS A 91 12.345 -16.338 -10.508 1.00 63.24 H new ATOM 0 HE3 LYS A 91 10.909 -17.229 -10.041 1.00 63.24 H new ATOM 0 HZ1 LYS A 91 13.065 -18.501 -10.328 1.00 35.31 H new ATOM 0 HZ2 LYS A 91 11.672 -19.154 -11.047 1.00 35.31 H new ATOM 0 HZ3 LYS A 91 12.817 -18.339 -12.000 1.00 35.31 H new ATOM 1477 N ILE A 92 10.812 -19.376 -16.137 1.00 43.23 N ATOM 1478 CA ILE A 92 10.987 -20.780 -16.479 1.00 33.44 C ATOM 1479 C ILE A 92 11.553 -21.502 -15.253 1.00 60.22 C ATOM 1480 O ILE A 92 12.770 -21.610 -15.099 1.00 2.24 O ATOM 1481 CB ILE A 92 11.905 -20.936 -17.711 1.00 31.12 C ATOM 1482 CG1 ILE A 92 11.550 -20.003 -18.884 1.00 60.34 C ATOM 1483 CG2 ILE A 92 11.916 -22.402 -18.174 1.00 61.24 C ATOM 1484 CD1 ILE A 92 10.094 -20.073 -19.349 1.00 43.22 C ATOM 0 H ILE A 92 11.496 -18.760 -16.577 1.00 43.23 H new ATOM 0 HA ILE A 92 10.029 -21.225 -16.749 1.00 33.44 H new ATOM 0 HB ILE A 92 12.902 -20.635 -17.388 1.00 31.12 H new ATOM 0 HG12 ILE A 92 11.773 -18.977 -18.593 1.00 60.34 H new ATOM 0 HG13 ILE A 92 12.197 -20.243 -19.728 1.00 60.34 H new ATOM 0 HG21 ILE A 92 12.566 -22.504 -19.043 1.00 61.24 H new ATOM 0 HG22 ILE A 92 12.286 -23.035 -17.368 1.00 61.24 H new ATOM 0 HG23 ILE A 92 10.904 -22.707 -18.440 1.00 61.24 H new ATOM 0 HD11 ILE A 92 9.943 -19.381 -20.177 1.00 43.22 H new ATOM 0 HD12 ILE A 92 9.865 -21.087 -19.677 1.00 43.22 H new ATOM 0 HD13 ILE A 92 9.435 -19.801 -18.524 1.00 43.22 H new ATOM 1496 N VAL A 93 10.668 -21.985 -14.372 1.00 14.24 N ATOM 1497 CA VAL A 93 11.073 -22.727 -13.192 1.00 40.44 C ATOM 1498 C VAL A 93 11.486 -24.125 -13.636 1.00 31.32 C ATOM 1499 O VAL A 93 10.782 -24.764 -14.415 1.00 13.33 O ATOM 1500 CB VAL A 93 9.952 -22.778 -12.142 1.00 3.12 C ATOM 1501 CG1 VAL A 93 10.447 -23.530 -10.900 1.00 42.14 C ATOM 1502 CG2 VAL A 93 9.517 -21.377 -11.718 1.00 32.51 C ATOM 0 H VAL A 93 9.659 -21.869 -14.464 1.00 14.24 H new ATOM 0 HA VAL A 93 11.914 -22.226 -12.712 1.00 40.44 H new ATOM 0 HB VAL A 93 9.100 -23.289 -12.591 1.00 3.12 H new ATOM 0 HG11 VAL A 93 9.652 -23.566 -10.155 1.00 42.14 H new ATOM 0 HG12 VAL A 93 10.730 -24.545 -11.178 1.00 42.14 H new ATOM 0 HG13 VAL A 93 11.312 -23.014 -10.483 1.00 42.14 H new ATOM 0 HG21 VAL A 93 8.723 -21.452 -10.975 1.00 32.51 H new ATOM 0 HG22 VAL A 93 10.367 -20.846 -11.289 1.00 32.51 H new ATOM 0 HG23 VAL A 93 9.150 -20.831 -12.587 1.00 32.51 H new ATOM 1512 N LYS A 94 12.640 -24.580 -13.145 1.00 73.41 N ATOM 1513 CA LYS A 94 13.192 -25.881 -13.465 1.00 15.10 C ATOM 1514 C LYS A 94 12.745 -26.869 -12.394 1.00 14.51 C ATOM 1515 O LYS A 94 13.284 -26.862 -11.290 1.00 22.34 O ATOM 1516 CB LYS A 94 14.722 -25.785 -13.532 1.00 74.44 C ATOM 1517 CG LYS A 94 15.172 -24.870 -14.678 1.00 22.25 C ATOM 1518 CD LYS A 94 16.694 -24.959 -14.835 1.00 73.52 C ATOM 1519 CE LYS A 94 17.175 -24.080 -15.992 1.00 5.34 C ATOM 1520 NZ LYS A 94 18.633 -24.187 -16.173 1.00 53.31 N ATOM 0 H LYS A 94 13.221 -24.040 -12.504 1.00 73.41 H new ATOM 0 HA LYS A 94 12.836 -26.225 -14.436 1.00 15.10 H new ATOM 0 HB2 LYS A 94 15.107 -25.403 -12.586 1.00 74.44 H new ATOM 0 HB3 LYS A 94 15.146 -26.780 -13.670 1.00 74.44 H new ATOM 0 HG2 LYS A 94 14.682 -25.164 -15.606 1.00 22.25 H new ATOM 0 HG3 LYS A 94 14.876 -23.841 -14.474 1.00 22.25 H new ATOM 0 HD2 LYS A 94 17.178 -24.647 -13.910 1.00 73.52 H new ATOM 0 HD3 LYS A 94 16.985 -25.994 -15.014 1.00 73.52 H new ATOM 0 HE2 LYS A 94 16.669 -24.376 -16.911 1.00 5.34 H new ATOM 0 HE3 LYS A 94 16.905 -23.042 -15.800 1.00 5.34 H new ATOM 0 HZ1 LYS A 94 18.930 -23.581 -16.964 1.00 53.31 H new ATOM 0 HZ2 LYS A 94 19.114 -23.882 -15.303 1.00 53.31 H new ATOM 0 HZ3 LYS A 94 18.886 -25.174 -16.380 1.00 53.31 H new ATOM 1534 N TRP A 95 11.766 -27.719 -12.729 1.00 20.20 N ATOM 1535 CA TRP A 95 11.377 -28.854 -11.905 1.00 14.42 C ATOM 1536 C TRP A 95 12.607 -29.725 -11.632 1.00 22.10 C ATOM 1537 O TRP A 95 13.129 -30.369 -12.543 1.00 40.22 O ATOM 1538 CB TRP A 95 10.299 -29.680 -12.618 1.00 1.35 C ATOM 1539 CG TRP A 95 10.037 -31.022 -12.006 1.00 32.44 C ATOM 1540 CD1 TRP A 95 9.674 -31.267 -10.727 1.00 11.30 C ATOM 1541 CD2 TRP A 95 10.241 -32.328 -12.612 1.00 43.12 C ATOM 1542 NE1 TRP A 95 9.637 -32.625 -10.497 1.00 13.43 N ATOM 1543 CE2 TRP A 95 9.991 -33.330 -11.631 1.00 41.12 C ATOM 1544 CE3 TRP A 95 10.640 -32.759 -13.892 1.00 21.51 C ATOM 1545 CZ2 TRP A 95 10.136 -34.696 -11.911 1.00 24.40 C ATOM 1546 CZ3 TRP A 95 10.794 -34.126 -14.183 1.00 42.05 C ATOM 1547 CH2 TRP A 95 10.554 -35.092 -13.193 1.00 25.35 C ATOM 0 H TRP A 95 11.222 -27.632 -13.587 1.00 20.20 H new ATOM 0 HA TRP A 95 10.970 -28.492 -10.961 1.00 14.42 H new ATOM 0 HB2 TRP A 95 9.369 -29.111 -12.626 1.00 1.35 H new ATOM 0 HB3 TRP A 95 10.595 -29.821 -13.657 1.00 1.35 H new ATOM 0 HD1 TRP A 95 9.446 -30.509 -9.992 1.00 11.30 H new ATOM 0 HE1 TRP A 95 9.382 -33.053 -9.607 1.00 13.43 H new ATOM 0 HE3 TRP A 95 10.831 -32.027 -14.663 1.00 21.51 H new ATOM 0 HZ2 TRP A 95 9.929 -35.435 -11.151 1.00 24.40 H new ATOM 0 HZ3 TRP A 95 11.098 -34.434 -15.172 1.00 42.05 H new ATOM 0 HH2 TRP A 95 10.691 -36.140 -13.417 1.00 25.35 H new ATOM 1558 N ASP A 96 13.065 -29.728 -10.377 1.00 25.10 N ATOM 1559 CA ASP A 96 14.264 -30.435 -9.960 1.00 41.32 C ATOM 1560 C ASP A 96 13.888 -31.835 -9.482 1.00 5.33 C ATOM 1561 O ASP A 96 13.586 -32.031 -8.307 1.00 2.40 O ATOM 1562 CB ASP A 96 15.000 -29.622 -8.888 1.00 13.33 C ATOM 1563 CG ASP A 96 15.494 -28.283 -9.437 1.00 13.24 C ATOM 1564 OD1 ASP A 96 16.270 -28.320 -10.417 1.00 0.45 O ATOM 1565 OD2 ASP A 96 15.084 -27.246 -8.870 1.00 52.32 O ATOM 0 H ASP A 96 12.602 -29.230 -9.617 1.00 25.10 H new ATOM 0 HA ASP A 96 14.949 -30.550 -10.800 1.00 41.32 H new ATOM 0 HB2 ASP A 96 14.334 -29.446 -8.043 1.00 13.33 H new ATOM 0 HB3 ASP A 96 15.847 -30.197 -8.512 1.00 13.33 H new ATOM 1570 N ARG A 97 13.908 -32.805 -10.406 1.00 14.03 N ATOM 1571 CA ARG A 97 13.587 -34.202 -10.133 1.00 75.35 C ATOM 1572 C ARG A 97 14.485 -34.823 -9.057 1.00 54.22 C ATOM 1573 O ARG A 97 14.024 -35.652 -8.275 1.00 42.33 O ATOM 1574 CB ARG A 97 13.576 -35.027 -11.430 1.00 55.21 C ATOM 1575 CG ARG A 97 14.917 -35.318 -12.127 1.00 62.35 C ATOM 1576 CD ARG A 97 15.550 -34.101 -12.814 1.00 13.02 C ATOM 1577 NE ARG A 97 16.461 -33.382 -11.913 1.00 33.10 N ATOM 1578 CZ ARG A 97 16.803 -32.086 -12.005 1.00 23.30 C ATOM 1579 NH1 ARG A 97 16.352 -31.315 -13.006 1.00 21.41 N ATOM 1580 NH2 ARG A 97 17.602 -31.552 -11.072 1.00 33.24 N ATOM 0 H ARG A 97 14.153 -32.632 -11.381 1.00 14.03 H new ATOM 0 HA ARG A 97 12.579 -34.222 -9.718 1.00 75.35 H new ATOM 0 HB2 ARG A 97 13.102 -35.984 -11.210 1.00 55.21 H new ATOM 0 HB3 ARG A 97 12.936 -34.511 -12.146 1.00 55.21 H new ATOM 0 HG2 ARG A 97 15.618 -35.710 -11.390 1.00 62.35 H new ATOM 0 HG3 ARG A 97 14.764 -36.101 -12.870 1.00 62.35 H new ATOM 0 HD2 ARG A 97 16.096 -34.426 -13.700 1.00 13.02 H new ATOM 0 HD3 ARG A 97 14.765 -33.425 -13.153 1.00 13.02 H new ATOM 0 HE ARG A 97 16.872 -33.916 -11.147 1.00 33.10 H new ATOM 0 HH11 ARG A 97 15.737 -31.710 -13.717 1.00 21.41 H new ATOM 0 HH12 ARG A 97 16.624 -30.333 -13.056 1.00 21.41 H new ATOM 0 HH21 ARG A 97 17.944 -32.128 -10.303 1.00 33.24 H new ATOM 0 HH22 ARG A 97 17.869 -30.569 -11.131 1.00 33.24 H new ATOM 1594 N ASP A 98 15.755 -34.404 -9.012 1.00 11.45 N ATOM 1595 CA ASP A 98 16.735 -34.807 -8.017 1.00 63.31 C ATOM 1596 C ASP A 98 16.463 -34.075 -6.700 1.00 4.33 C ATOM 1597 O ASP A 98 16.400 -34.708 -5.649 1.00 73.54 O ATOM 1598 CB ASP A 98 18.135 -34.488 -8.557 1.00 44.41 C ATOM 1599 CG ASP A 98 19.232 -34.849 -7.560 1.00 34.33 C ATOM 1600 OD1 ASP A 98 19.719 -33.913 -6.887 1.00 34.10 O ATOM 1601 OD2 ASP A 98 19.569 -36.050 -7.494 1.00 4.34 O ATOM 0 H ASP A 98 16.135 -33.750 -9.697 1.00 11.45 H new ATOM 0 HA ASP A 98 16.668 -35.877 -7.821 1.00 63.31 H new ATOM 0 HB2 ASP A 98 18.297 -35.033 -9.487 1.00 44.41 H new ATOM 0 HB3 ASP A 98 18.198 -33.426 -8.795 1.00 44.41 H new ATOM 1606 N MET A 99 16.307 -32.745 -6.781 1.00 65.25 N ATOM 1607 CA MET A 99 16.112 -31.829 -5.664 1.00 53.42 C ATOM 1608 C MET A 99 17.336 -31.833 -4.743 1.00 33.21 C ATOM 1609 O MET A 99 18.251 -31.028 -5.020 1.00 41.11 O ATOM 1610 CB MET A 99 14.785 -32.102 -4.934 1.00 45.41 C ATOM 1611 CG MET A 99 14.480 -31.014 -3.896 1.00 42.23 C ATOM 1612 SD MET A 99 12.920 -31.259 -3.006 1.00 42.23 S ATOM 1613 CE MET A 99 13.052 -29.935 -1.776 1.00 11.20 C ATOM 1614 OXT MET A 99 17.338 -32.628 -3.777 1.00 0.00 O ATOM 0 H MET A 99 16.315 -32.261 -7.679 1.00 65.25 H new ATOM 0 HA MET A 99 16.023 -30.814 -6.052 1.00 53.42 H new ATOM 0 HB2 MET A 99 13.973 -32.152 -5.659 1.00 45.41 H new ATOM 0 HB3 MET A 99 14.833 -33.073 -4.441 1.00 45.41 H new ATOM 0 HG2 MET A 99 15.296 -30.976 -3.174 1.00 42.23 H new ATOM 0 HG3 MET A 99 14.452 -30.046 -4.397 1.00 42.23 H new ATOM 0 HE1 MET A 99 12.168 -29.941 -1.139 1.00 11.20 H new ATOM 0 HE2 MET A 99 13.941 -30.093 -1.165 1.00 11.20 H new ATOM 0 HE3 MET A 99 13.127 -28.973 -2.283 1.00 11.20 H new TER 1624 MET A 99