USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=29 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= 1.02 K(o=2.3,f=-6.4!) USER MOD Set 1.2: A 86 THR OG1 : rot -77:sc= 1.26 USER MOD Set 2.1: A 58 LYS NZ :NH3+ 174:sc= -0.0117 (180deg=-0.0848) USER MOD Set 2.2: A 61 SER OG : rot 6:sc= 0.583 USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.228 USER MOD Set 3.2: A 24 ASN : amide:sc= 0.128 K(o=0.36,f=-3!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.086 F(o=-0.76,f=-0.086) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0719) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 42:sc= 0.0882 USER MOD Single : A 13 HIS : no HD1:sc=-0.00139 X(o=-0.0014,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.543 K(o=-0.54,f=-2.7!) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc=-3.14e-05 (180deg=-0.165) USER MOD Single : A 20 SER OG : rot 34:sc= 0.234 USER MOD Single : A 21 ASN : amide:sc= 0.466 K(o=0.47,f=-3.8!) 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= -0.43 K(o=-0.43,f=-1.7) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -133:sc= 0.0274 (180deg=-0.097) USER MOD Single : A 42 ASN : amide:sc= 0.103 K(o=0.1,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= 0.343 (180deg=0.0602) USER MOD Single : A 51 HIS : no HD1:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -28:sc= 0.958 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.067 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 75:sc= 0.00293 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 70:sc= -0.0526 USER MOD Single : A 83 ASN : amide:sc= 0.437 K(o=0.44,f=-0.46) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.111) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc=-0.00926 (180deg=-0.147) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.793 -2.704 -2.214 1.00 51.45 N ATOM 2 CA MET A 0 0.311 -2.052 -1.488 1.00 61.34 C ATOM 3 C MET A 0 1.549 -2.947 -1.487 1.00 12.05 C ATOM 4 O MET A 0 2.522 -2.649 -2.177 1.00 4.11 O ATOM 5 CB MET A 0 -0.137 -1.642 -0.076 1.00 60.42 C ATOM 6 CG MET A 0 0.884 -0.784 0.684 1.00 21.43 C ATOM 7 SD MET A 0 2.263 -1.662 1.474 1.00 61.41 S ATOM 8 CE MET A 0 2.912 -0.308 2.492 1.00 3.43 C ATOM 0 H1 MET A 0 -1.628 -2.084 -2.206 1.00 51.45 H new ATOM 0 H2 MET A 0 -0.504 -2.883 -3.197 1.00 51.45 H new ATOM 0 H3 MET A 0 -1.028 -3.606 -1.752 1.00 51.45 H new ATOM 0 HA MET A 0 0.589 -1.132 -2.003 1.00 61.34 H new ATOM 0 HB2 MET A 0 -1.074 -1.091 -0.150 1.00 60.42 H new ATOM 0 HB3 MET A 0 -0.342 -2.542 0.504 1.00 60.42 H new ATOM 0 HG2 MET A 0 1.299 -0.054 -0.011 1.00 21.43 H new ATOM 0 HG3 MET A 0 0.352 -0.224 1.453 1.00 21.43 H new ATOM 0 HE1 MET A 0 3.774 -0.660 3.058 1.00 3.43 H new ATOM 0 HE2 MET A 0 3.213 0.519 1.849 1.00 3.43 H new ATOM 0 HE3 MET A 0 2.139 0.031 3.182 1.00 3.43 H new ATOM 20 N ILE A 1 1.491 -4.055 -0.735 1.00 41.03 N ATOM 21 CA ILE A 1 2.532 -5.070 -0.707 1.00 53.15 C ATOM 22 C ILE A 1 2.203 -6.100 -1.787 1.00 73.32 C ATOM 23 O ILE A 1 1.303 -6.922 -1.623 1.00 42.02 O ATOM 24 CB ILE A 1 2.703 -5.645 0.715 1.00 43.12 C ATOM 25 CG1 ILE A 1 3.936 -6.564 0.751 1.00 33.44 C ATOM 26 CG2 ILE A 1 1.464 -6.374 1.263 1.00 33.10 C ATOM 27 CD1 ILE A 1 4.494 -6.744 2.166 1.00 22.21 C ATOM 0 H ILE A 1 0.703 -4.267 -0.122 1.00 41.03 H new ATOM 0 HA ILE A 1 3.512 -4.654 -0.940 1.00 53.15 H new ATOM 0 HB ILE A 1 2.843 -4.791 1.377 1.00 43.12 H new ATOM 0 HG12 ILE A 1 3.670 -7.539 0.342 1.00 33.44 H new ATOM 0 HG13 ILE A 1 4.713 -6.150 0.108 1.00 33.44 H new ATOM 0 HG21 ILE A 1 1.674 -6.745 2.266 1.00 33.10 H new ATOM 0 HG22 ILE A 1 0.622 -5.683 1.301 1.00 33.10 H new ATOM 0 HG23 ILE A 1 1.217 -7.212 0.611 1.00 33.10 H new ATOM 0 HD11 ILE A 1 5.363 -7.401 2.134 1.00 22.21 H new ATOM 0 HD12 ILE A 1 4.788 -5.774 2.567 1.00 22.21 H new ATOM 0 HD13 ILE A 1 3.729 -7.185 2.805 1.00 22.21 H new ATOM 39 N GLN A 2 2.898 -5.998 -2.925 1.00 52.01 N ATOM 40 CA GLN A 2 2.556 -6.716 -4.141 1.00 54.05 C ATOM 41 C GLN A 2 3.269 -8.071 -4.151 1.00 72.33 C ATOM 42 O GLN A 2 4.148 -8.318 -4.975 1.00 20.31 O ATOM 43 CB GLN A 2 2.884 -5.816 -5.348 1.00 54.31 C ATOM 44 CG GLN A 2 1.971 -6.067 -6.555 1.00 4.20 C ATOM 45 CD GLN A 2 0.586 -5.449 -6.352 1.00 5.40 C ATOM 46 OE1 GLN A 2 -0.342 -6.194 -5.748 1.00 21.32 O flip ATOM 47 NE2 GLN A 2 0.358 -4.304 -6.735 1.00 31.35 N flip ATOM 0 H GLN A 2 3.723 -5.405 -3.021 1.00 52.01 H new ATOM 0 HA GLN A 2 1.491 -6.941 -4.196 1.00 54.05 H new ATOM 0 HB2 GLN A 2 2.800 -4.772 -5.048 1.00 54.31 H new ATOM 0 HB3 GLN A 2 3.920 -5.980 -5.644 1.00 54.31 H new ATOM 0 HG2 GLN A 2 2.429 -5.649 -7.451 1.00 4.20 H new ATOM 0 HG3 GLN A 2 1.871 -7.140 -6.719 1.00 4.20 H new ATOM 0 HE21 GLN A 2 1.092 -3.764 -7.193 1.00 31.35 H new ATOM 0 HE22 GLN A 2 -0.565 -3.894 -6.595 1.00 31.35 H new ATOM 56 N ARG A 3 2.893 -8.934 -3.194 1.00 74.15 N ATOM 57 CA ARG A 3 3.555 -10.202 -2.914 1.00 74.13 C ATOM 58 C ARG A 3 3.640 -11.070 -4.171 1.00 21.14 C ATOM 59 O ARG A 3 2.699 -11.122 -4.959 1.00 1.45 O ATOM 60 CB ARG A 3 2.834 -10.957 -1.788 1.00 74.11 C ATOM 61 CG ARG A 3 2.791 -10.175 -0.469 1.00 24.44 C ATOM 62 CD ARG A 3 2.164 -11.028 0.640 1.00 13.32 C ATOM 63 NE ARG A 3 2.004 -10.267 1.888 1.00 53.13 N ATOM 64 CZ ARG A 3 2.949 -10.095 2.829 1.00 52.22 C ATOM 65 NH1 ARG A 3 4.189 -10.581 2.666 1.00 13.43 N ATOM 66 NH2 ARG A 3 2.647 -9.425 3.950 1.00 63.15 N ATOM 0 H ARG A 3 2.097 -8.757 -2.581 1.00 74.15 H new ATOM 0 HA ARG A 3 4.571 -9.981 -2.586 1.00 74.13 H new ATOM 0 HB2 ARG A 3 1.815 -11.181 -2.104 1.00 74.11 H new ATOM 0 HB3 ARG A 3 3.333 -11.911 -1.621 1.00 74.11 H new ATOM 0 HG2 ARG A 3 3.800 -9.879 -0.182 1.00 24.44 H new ATOM 0 HG3 ARG A 3 2.215 -9.259 -0.601 1.00 24.44 H new ATOM 0 HD2 ARG A 3 1.192 -11.395 0.311 1.00 13.32 H new ATOM 0 HD3 ARG A 3 2.789 -11.902 0.824 1.00 13.32 H new ATOM 0 HE ARG A 3 1.097 -9.831 2.054 1.00 53.13 H new ATOM 0 HH11 ARG A 3 4.429 -11.092 1.816 1.00 13.43 H new ATOM 0 HH12 ARG A 3 4.892 -10.440 3.392 1.00 13.43 H new ATOM 0 HH21 ARG A 3 1.707 -9.051 4.083 1.00 63.15 H new ATOM 0 HH22 ARG A 3 3.357 -9.289 4.670 1.00 63.15 H new ATOM 80 N THR A 4 4.793 -11.720 -4.360 1.00 52.12 N ATOM 81 CA THR A 4 5.113 -12.497 -5.549 1.00 23.12 C ATOM 82 C THR A 4 4.821 -13.984 -5.314 1.00 42.12 C ATOM 83 O THR A 4 4.905 -14.446 -4.176 1.00 0.33 O ATOM 84 CB THR A 4 6.596 -12.297 -5.903 1.00 2.13 C ATOM 85 OG1 THR A 4 7.420 -12.678 -4.820 1.00 74.32 O ATOM 86 CG2 THR A 4 6.893 -10.843 -6.283 1.00 21.54 C ATOM 0 H THR A 4 5.544 -11.717 -3.670 1.00 52.12 H new ATOM 0 HA THR A 4 4.493 -12.154 -6.377 1.00 23.12 H new ATOM 0 HB THR A 4 6.812 -12.929 -6.764 1.00 2.13 H new ATOM 0 HG1 THR A 4 8.360 -12.546 -5.062 1.00 74.32 H new ATOM 0 HG21 THR A 4 7.950 -10.739 -6.527 1.00 21.54 H new ATOM 0 HG22 THR A 4 6.292 -10.563 -7.148 1.00 21.54 H new ATOM 0 HG23 THR A 4 6.648 -10.191 -5.445 1.00 21.54 H new ATOM 94 N PRO A 5 4.514 -14.750 -6.374 1.00 22.34 N ATOM 95 CA PRO A 5 4.350 -16.193 -6.295 1.00 35.32 C ATOM 96 C PRO A 5 5.653 -16.871 -5.875 1.00 3.35 C ATOM 97 O PRO A 5 6.675 -16.723 -6.545 1.00 11.20 O ATOM 98 CB PRO A 5 3.924 -16.644 -7.693 1.00 2.43 C ATOM 99 CG PRO A 5 4.407 -15.524 -8.613 1.00 40.35 C ATOM 100 CD PRO A 5 4.300 -14.282 -7.734 1.00 21.55 C ATOM 0 HA PRO A 5 3.607 -16.467 -5.546 1.00 35.32 H new ATOM 0 HB2 PRO A 5 4.376 -17.600 -7.958 1.00 2.43 H new ATOM 0 HB3 PRO A 5 2.844 -16.774 -7.757 1.00 2.43 H new ATOM 0 HG2 PRO A 5 5.430 -15.692 -8.950 1.00 40.35 H new ATOM 0 HG3 PRO A 5 3.787 -15.440 -9.506 1.00 40.35 H new ATOM 0 HD2 PRO A 5 5.045 -13.537 -8.015 1.00 21.55 H new ATOM 0 HD3 PRO A 5 3.323 -13.811 -7.838 1.00 21.55 H new ATOM 108 N LYS A 6 5.604 -17.613 -4.763 1.00 32.35 N ATOM 109 CA LYS A 6 6.747 -18.302 -4.191 1.00 74.44 C ATOM 110 C LYS A 6 6.823 -19.711 -4.785 1.00 23.45 C ATOM 111 O LYS A 6 6.028 -20.582 -4.439 1.00 21.54 O ATOM 112 CB LYS A 6 6.623 -18.302 -2.660 1.00 12.52 C ATOM 113 CG LYS A 6 7.976 -18.501 -1.966 1.00 41.45 C ATOM 114 CD LYS A 6 8.786 -17.193 -1.943 1.00 62.35 C ATOM 115 CE LYS A 6 10.159 -17.375 -1.290 1.00 23.41 C ATOM 116 NZ LYS A 6 10.051 -17.765 0.126 1.00 42.55 N ATOM 0 H LYS A 6 4.745 -17.749 -4.230 1.00 32.35 H new ATOM 0 HA LYS A 6 7.680 -17.794 -4.436 1.00 74.44 H new ATOM 0 HB2 LYS A 6 6.185 -17.359 -2.333 1.00 12.52 H new ATOM 0 HB3 LYS A 6 5.940 -19.094 -2.353 1.00 12.52 H new ATOM 0 HG2 LYS A 6 7.817 -18.851 -0.946 1.00 41.45 H new ATOM 0 HG3 LYS A 6 8.543 -19.274 -2.484 1.00 41.45 H new ATOM 0 HD2 LYS A 6 8.916 -16.830 -2.963 1.00 62.35 H new ATOM 0 HD3 LYS A 6 8.226 -16.430 -1.402 1.00 62.35 H new ATOM 0 HE2 LYS A 6 10.721 -18.135 -1.833 1.00 23.41 H new ATOM 0 HE3 LYS A 6 10.723 -16.446 -1.368 1.00 23.41 H new ATOM 0 HZ1 LYS A 6 10.994 -17.746 0.564 1.00 42.55 H new ATOM 0 HZ2 LYS A 6 9.425 -17.100 0.623 1.00 42.55 H new ATOM 0 HZ3 LYS A 6 9.658 -18.726 0.193 1.00 42.55 H new ATOM 130 N ILE A 7 7.770 -19.903 -5.712 1.00 55.13 N ATOM 131 CA ILE A 7 7.902 -21.095 -6.536 1.00 13.42 C ATOM 132 C ILE A 7 8.370 -22.311 -5.727 1.00 2.21 C ATOM 133 O ILE A 7 9.399 -22.257 -5.055 1.00 32.25 O ATOM 134 CB ILE A 7 8.846 -20.804 -7.717 1.00 33.54 C ATOM 135 CG1 ILE A 7 10.193 -20.189 -7.286 1.00 1.41 C ATOM 136 CG2 ILE A 7 8.148 -19.875 -8.721 1.00 1.20 C ATOM 137 CD1 ILE A 7 11.363 -20.851 -8.018 1.00 63.44 C ATOM 0 H ILE A 7 8.486 -19.204 -5.910 1.00 55.13 H new ATOM 0 HA ILE A 7 6.917 -21.351 -6.925 1.00 13.42 H new ATOM 0 HB ILE A 7 9.075 -21.764 -8.180 1.00 33.54 H new ATOM 0 HG12 ILE A 7 10.190 -19.119 -7.493 1.00 1.41 H new ATOM 0 HG13 ILE A 7 10.321 -20.305 -6.210 1.00 1.41 H new ATOM 0 HG21 ILE A 7 8.819 -19.671 -9.555 1.00 1.20 H new ATOM 0 HG22 ILE A 7 7.243 -20.355 -9.092 1.00 1.20 H new ATOM 0 HG23 ILE A 7 7.886 -18.938 -8.229 1.00 1.20 H new ATOM 0 HD11 ILE A 7 12.299 -20.397 -7.694 1.00 63.44 H new ATOM 0 HD12 ILE A 7 11.379 -21.917 -7.790 1.00 63.44 H new ATOM 0 HD13 ILE A 7 11.245 -20.712 -9.093 1.00 63.44 H new ATOM 149 N GLN A 8 7.602 -23.407 -5.798 1.00 4.04 N ATOM 150 CA GLN A 8 7.889 -24.672 -5.132 1.00 22.53 C ATOM 151 C GLN A 8 7.452 -25.808 -6.067 1.00 22.21 C ATOM 152 O GLN A 8 6.367 -26.366 -5.901 1.00 4.03 O ATOM 153 CB GLN A 8 7.161 -24.726 -3.775 1.00 60.44 C ATOM 154 CG GLN A 8 7.643 -23.646 -2.793 1.00 51.24 C ATOM 155 CD GLN A 8 6.870 -23.670 -1.475 1.00 11.11 C ATOM 156 OE1 GLN A 8 6.030 -22.805 -1.232 1.00 62.21 O ATOM 157 NE2 GLN A 8 7.170 -24.644 -0.612 1.00 25.44 N ATOM 0 H GLN A 8 6.738 -23.432 -6.339 1.00 4.04 H new ATOM 0 HA GLN A 8 8.954 -24.775 -4.925 1.00 22.53 H new ATOM 0 HB2 GLN A 8 6.090 -24.609 -3.938 1.00 60.44 H new ATOM 0 HB3 GLN A 8 7.310 -25.709 -3.328 1.00 60.44 H new ATOM 0 HG2 GLN A 8 8.704 -23.790 -2.591 1.00 51.24 H new ATOM 0 HG3 GLN A 8 7.537 -22.665 -3.256 1.00 51.24 H new ATOM 0 HE21 GLN A 8 7.874 -25.341 -0.855 1.00 25.44 H new ATOM 0 HE22 GLN A 8 6.695 -24.691 0.290 1.00 25.44 H new ATOM 166 N VAL A 9 8.289 -26.124 -7.068 1.00 14.10 N ATOM 167 CA VAL A 9 7.981 -27.075 -8.135 1.00 4.31 C ATOM 168 C VAL A 9 8.622 -28.435 -7.848 1.00 11.33 C ATOM 169 O VAL A 9 9.761 -28.687 -8.237 1.00 64.44 O ATOM 170 CB VAL A 9 8.465 -26.531 -9.487 1.00 31.14 C ATOM 171 CG1 VAL A 9 8.069 -27.466 -10.636 1.00 0.30 C ATOM 172 CG2 VAL A 9 7.891 -25.142 -9.779 1.00 55.42 C ATOM 0 H VAL A 9 9.219 -25.713 -7.155 1.00 14.10 H new ATOM 0 HA VAL A 9 6.900 -27.208 -8.177 1.00 4.31 H new ATOM 0 HB VAL A 9 9.551 -26.466 -9.419 1.00 31.14 H new ATOM 0 HG11 VAL A 9 8.426 -27.054 -11.580 1.00 0.30 H new ATOM 0 HG12 VAL A 9 8.516 -28.447 -10.477 1.00 0.30 H new ATOM 0 HG13 VAL A 9 6.984 -27.562 -10.669 1.00 0.30 H new ATOM 0 HG21 VAL A 9 8.257 -24.792 -10.744 1.00 55.42 H new ATOM 0 HG22 VAL A 9 6.803 -25.196 -9.802 1.00 55.42 H new ATOM 0 HG23 VAL A 9 8.204 -24.448 -8.999 1.00 55.42 H new ATOM 182 N TYR A 10 7.865 -29.308 -7.182 1.00 64.42 N ATOM 183 CA TYR A 10 8.274 -30.669 -6.850 1.00 64.32 C ATOM 184 C TYR A 10 7.494 -31.695 -7.672 1.00 20.35 C ATOM 185 O TYR A 10 6.370 -31.430 -8.090 1.00 20.23 O ATOM 186 CB TYR A 10 8.085 -30.925 -5.349 1.00 44.34 C ATOM 187 CG TYR A 10 6.656 -30.876 -4.833 1.00 3.42 C ATOM 188 CD1 TYR A 10 5.946 -32.073 -4.620 1.00 4.21 C ATOM 189 CD2 TYR A 10 6.076 -29.649 -4.462 1.00 11.02 C ATOM 190 CE1 TYR A 10 4.653 -32.040 -4.071 1.00 12.24 C ATOM 191 CE2 TYR A 10 4.780 -29.615 -3.918 1.00 13.11 C ATOM 192 CZ TYR A 10 4.066 -30.811 -3.725 1.00 44.14 C ATOM 193 OH TYR A 10 2.804 -30.777 -3.208 1.00 62.53 O ATOM 0 H TYR A 10 6.927 -29.080 -6.851 1.00 64.42 H new ATOM 0 HA TYR A 10 9.330 -30.778 -7.096 1.00 64.32 H new ATOM 0 HB2 TYR A 10 8.500 -31.905 -5.114 1.00 44.34 H new ATOM 0 HB3 TYR A 10 8.673 -30.190 -4.800 1.00 44.34 H new ATOM 0 HD1 TYR A 10 6.397 -33.020 -4.879 1.00 4.21 H new ATOM 0 HD2 TYR A 10 6.628 -28.730 -4.596 1.00 11.02 H new ATOM 0 HE1 TYR A 10 4.110 -32.960 -3.915 1.00 12.24 H new ATOM 0 HE2 TYR A 10 4.333 -28.670 -3.648 1.00 13.11 H new ATOM 0 HH TYR A 10 2.551 -29.848 -3.023 1.00 62.53 H new ATOM 203 N SER A 11 8.073 -32.886 -7.854 1.00 21.10 N ATOM 204 CA SER A 11 7.355 -34.065 -8.323 1.00 61.12 C ATOM 205 C SER A 11 6.746 -34.767 -7.111 1.00 1.25 C ATOM 206 O SER A 11 7.480 -35.196 -6.220 1.00 61.35 O ATOM 207 CB SER A 11 8.300 -35.006 -9.076 1.00 22.31 C ATOM 208 OG SER A 11 9.553 -35.102 -8.432 1.00 52.05 O ATOM 0 H SER A 11 9.063 -33.055 -7.677 1.00 21.10 H new ATOM 0 HA SER A 11 6.566 -33.770 -9.015 1.00 61.12 H new ATOM 0 HB2 SER A 11 7.849 -35.996 -9.148 1.00 22.31 H new ATOM 0 HB3 SER A 11 8.440 -34.645 -10.095 1.00 22.31 H new ATOM 0 HG SER A 11 9.419 -35.170 -7.464 1.00 52.05 H new ATOM 214 N ARG A 12 5.413 -34.874 -7.071 1.00 23.33 N ATOM 215 CA ARG A 12 4.684 -35.501 -5.975 1.00 41.43 C ATOM 216 C ARG A 12 5.098 -36.964 -5.832 1.00 15.32 C ATOM 217 O ARG A 12 5.572 -37.375 -4.774 1.00 71.12 O ATOM 218 CB ARG A 12 3.177 -35.355 -6.225 1.00 41.21 C ATOM 219 CG ARG A 12 2.260 -36.089 -5.233 1.00 3.40 C ATOM 220 CD ARG A 12 2.309 -35.513 -3.813 1.00 20.40 C ATOM 221 NE ARG A 12 3.561 -35.854 -3.126 1.00 5.22 N ATOM 222 CZ ARG A 12 4.035 -35.248 -2.025 1.00 0.43 C ATOM 223 NH1 ARG A 12 3.332 -34.289 -1.404 1.00 62.15 N ATOM 224 NH2 ARG A 12 5.232 -35.609 -1.544 1.00 31.32 N ATOM 0 H ARG A 12 4.807 -34.521 -7.812 1.00 23.33 H new ATOM 0 HA ARG A 12 4.926 -35.005 -5.035 1.00 41.43 H new ATOM 0 HB2 ARG A 12 2.926 -34.294 -6.206 1.00 41.21 H new ATOM 0 HB3 ARG A 12 2.958 -35.717 -7.229 1.00 41.21 H new ATOM 0 HG2 ARG A 12 1.234 -36.046 -5.599 1.00 3.40 H new ATOM 0 HG3 ARG A 12 2.543 -37.141 -5.200 1.00 3.40 H new ATOM 0 HD2 ARG A 12 2.203 -34.429 -3.857 1.00 20.40 H new ATOM 0 HD3 ARG A 12 1.464 -35.893 -3.238 1.00 20.40 H new ATOM 0 HE ARG A 12 4.117 -36.614 -3.517 1.00 5.22 H new ATOM 0 HH11 ARG A 12 2.421 -34.009 -1.767 1.00 62.15 H new ATOM 0 HH12 ARG A 12 3.709 -33.840 -0.569 1.00 62.15 H new ATOM 0 HH21 ARG A 12 5.772 -36.336 -2.013 1.00 31.32 H new ATOM 0 HH22 ARG A 12 5.603 -35.157 -0.709 1.00 31.32 H new ATOM 238 N HIS A 13 4.936 -37.733 -6.913 1.00 53.53 N ATOM 239 CA HIS A 13 5.438 -39.093 -7.027 1.00 22.13 C ATOM 240 C HIS A 13 6.956 -39.043 -7.231 1.00 53.43 C ATOM 241 O HIS A 13 7.473 -38.017 -7.671 1.00 43.54 O ATOM 242 CB HIS A 13 4.736 -39.764 -8.215 1.00 5.04 C ATOM 243 CG HIS A 13 3.256 -39.939 -7.991 1.00 40.14 C ATOM 244 ND1 HIS A 13 2.698 -41.151 -7.617 1.00 44.54 N ATOM 245 CD2 HIS A 13 2.204 -39.058 -8.051 1.00 32.42 C ATOM 246 CE1 HIS A 13 1.377 -40.950 -7.465 1.00 52.11 C ATOM 247 NE2 HIS A 13 1.011 -39.692 -7.716 1.00 43.12 N ATOM 0 H HIS A 13 4.441 -37.415 -7.746 1.00 53.53 H new ATOM 0 HA HIS A 13 5.234 -39.670 -6.125 1.00 22.13 H new ATOM 0 HB2 HIS A 13 4.896 -39.165 -9.112 1.00 5.04 H new ATOM 0 HB3 HIS A 13 5.190 -40.738 -8.397 1.00 5.04 H new ATOM 0 HD2 HIS A 13 2.291 -38.016 -8.321 1.00 32.42 H new ATOM 0 HE1 HIS A 13 0.685 -41.725 -7.171 1.00 52.11 H new ATOM 0 HE2 HIS A 13 0.075 -39.289 -7.673 1.00 43.12 H new ATOM 255 N PRO A 14 7.694 -40.124 -6.931 1.00 41.53 N ATOM 256 CA PRO A 14 9.109 -40.210 -7.258 1.00 21.42 C ATOM 257 C PRO A 14 9.274 -40.314 -8.776 1.00 24.13 C ATOM 258 O PRO A 14 8.380 -40.804 -9.466 1.00 73.13 O ATOM 259 CB PRO A 14 9.620 -41.451 -6.527 1.00 52.41 C ATOM 260 CG PRO A 14 8.384 -42.345 -6.435 1.00 20.54 C ATOM 261 CD PRO A 14 7.231 -41.348 -6.299 1.00 0.42 C ATOM 0 HA PRO A 14 9.676 -39.332 -6.949 1.00 21.42 H new ATOM 0 HB2 PRO A 14 10.427 -41.937 -7.076 1.00 52.41 H new ATOM 0 HB3 PRO A 14 10.010 -41.203 -5.540 1.00 52.41 H new ATOM 0 HG2 PRO A 14 8.273 -42.969 -7.322 1.00 20.54 H new ATOM 0 HG3 PRO A 14 8.437 -43.016 -5.578 1.00 20.54 H new ATOM 0 HD2 PRO A 14 6.330 -41.723 -6.784 1.00 0.42 H new ATOM 0 HD3 PRO A 14 6.982 -41.178 -5.252 1.00 0.42 H new ATOM 269 N ALA A 15 10.398 -39.806 -9.296 1.00 21.23 N ATOM 270 CA ALA A 15 10.643 -39.662 -10.726 1.00 5.42 C ATOM 271 C ALA A 15 10.991 -41.010 -11.366 1.00 14.34 C ATOM 272 O ALA A 15 12.152 -41.275 -11.677 1.00 72.33 O ATOM 273 CB ALA A 15 11.739 -38.613 -10.946 1.00 25.54 C ATOM 0 H ALA A 15 11.173 -39.479 -8.719 1.00 21.23 H new ATOM 0 HA ALA A 15 9.734 -39.317 -11.219 1.00 5.42 H new ATOM 0 HB1 ALA A 15 11.926 -38.501 -12.014 1.00 25.54 H new ATOM 0 HB2 ALA A 15 11.417 -37.658 -10.532 1.00 25.54 H new ATOM 0 HB3 ALA A 15 12.654 -38.933 -10.449 1.00 25.54 H new ATOM 279 N GLU A 16 9.969 -41.846 -11.581 1.00 33.40 N ATOM 280 CA GLU A 16 10.097 -43.144 -12.225 1.00 40.22 C ATOM 281 C GLU A 16 10.108 -42.948 -13.741 1.00 12.14 C ATOM 282 O GLU A 16 9.159 -42.408 -14.307 1.00 3.42 O ATOM 283 CB GLU A 16 8.942 -44.064 -11.799 1.00 60.34 C ATOM 284 CG GLU A 16 8.873 -44.288 -10.283 1.00 0.20 C ATOM 285 CD GLU A 16 10.180 -44.834 -9.713 1.00 44.01 C ATOM 286 OE1 GLU A 16 10.927 -44.024 -9.122 1.00 35.30 O ATOM 287 OE2 GLU A 16 10.406 -46.052 -9.883 1.00 51.32 O ATOM 0 H GLU A 16 9.012 -41.628 -11.304 1.00 33.40 H new ATOM 0 HA GLU A 16 11.030 -43.617 -11.920 1.00 40.22 H new ATOM 0 HB2 GLU A 16 8.000 -43.634 -12.139 1.00 60.34 H new ATOM 0 HB3 GLU A 16 9.051 -45.027 -12.297 1.00 60.34 H new ATOM 0 HG2 GLU A 16 8.631 -43.346 -9.790 1.00 0.20 H new ATOM 0 HG3 GLU A 16 8.064 -44.983 -10.058 1.00 0.20 H new ATOM 294 N ASN A 17 11.190 -43.387 -14.392 1.00 20.41 N ATOM 295 CA ASN A 17 11.397 -43.242 -15.824 1.00 54.11 C ATOM 296 C ASN A 17 10.423 -44.129 -16.602 1.00 43.12 C ATOM 297 O ASN A 17 10.239 -45.297 -16.265 1.00 51.14 O ATOM 298 CB ASN A 17 12.851 -43.601 -16.146 1.00 14.45 C ATOM 299 CG ASN A 17 13.204 -43.281 -17.593 1.00 51.32 C ATOM 300 OD1 ASN A 17 13.603 -42.160 -17.882 1.00 54.05 O ATOM 301 ND2 ASN A 17 13.077 -44.254 -18.499 1.00 73.42 N ATOM 0 H ASN A 17 11.960 -43.863 -13.921 1.00 20.41 H new ATOM 0 HA ASN A 17 11.205 -42.212 -16.124 1.00 54.11 H new ATOM 0 HB2 ASN A 17 13.517 -43.053 -15.479 1.00 14.45 H new ATOM 0 HB3 ASN A 17 13.014 -44.662 -15.958 1.00 14.45 H new ATOM 0 HD21 ASN A 17 13.316 -44.077 -19.475 1.00 73.42 H new ATOM 0 HD22 ASN A 17 12.741 -45.174 -18.215 1.00 73.42 H new ATOM 308 N GLY A 18 9.805 -43.562 -17.643 1.00 42.12 N ATOM 309 CA GLY A 18 8.816 -44.227 -18.477 1.00 12.22 C ATOM 310 C GLY A 18 7.574 -44.622 -17.678 1.00 32.43 C ATOM 311 O GLY A 18 7.009 -45.689 -17.912 1.00 11.35 O ATOM 0 H GLY A 18 9.989 -42.601 -17.931 1.00 42.12 H new ATOM 0 HA2 GLY A 18 8.527 -43.567 -19.295 1.00 12.22 H new ATOM 0 HA3 GLY A 18 9.258 -45.117 -18.926 1.00 12.22 H new ATOM 315 N LYS A 19 7.158 -43.766 -16.735 1.00 0.24 N ATOM 316 CA LYS A 19 6.009 -44.000 -15.876 1.00 5.20 C ATOM 317 C LYS A 19 5.551 -42.662 -15.303 1.00 60.42 C ATOM 318 O LYS A 19 6.370 -41.873 -14.836 1.00 2.41 O ATOM 319 CB LYS A 19 6.376 -44.994 -14.769 1.00 40.23 C ATOM 320 CG LYS A 19 5.155 -45.331 -13.909 1.00 40.15 C ATOM 321 CD LYS A 19 5.497 -46.418 -12.884 1.00 22.24 C ATOM 322 CE LYS A 19 4.284 -46.761 -12.011 1.00 1.03 C ATOM 323 NZ LYS A 19 3.171 -47.311 -12.803 1.00 13.43 N ATOM 0 H LYS A 19 7.625 -42.878 -16.551 1.00 0.24 H new ATOM 0 HA LYS A 19 5.189 -44.437 -16.446 1.00 5.20 H new ATOM 0 HB2 LYS A 19 6.776 -45.906 -15.212 1.00 40.23 H new ATOM 0 HB3 LYS A 19 7.162 -44.572 -14.142 1.00 40.23 H new ATOM 0 HG2 LYS A 19 4.808 -44.435 -13.394 1.00 40.15 H new ATOM 0 HG3 LYS A 19 4.338 -45.669 -14.546 1.00 40.15 H new ATOM 0 HD2 LYS A 19 5.840 -47.314 -13.401 1.00 22.24 H new ATOM 0 HD3 LYS A 19 6.319 -46.080 -12.252 1.00 22.24 H new ATOM 0 HE2 LYS A 19 4.578 -47.483 -11.249 1.00 1.03 H new ATOM 0 HE3 LYS A 19 3.949 -45.865 -11.488 1.00 1.03 H new ATOM 0 HZ1 LYS A 19 2.449 -47.700 -12.164 1.00 13.43 H new ATOM 0 HZ2 LYS A 19 2.750 -46.556 -13.382 1.00 13.43 H new ATOM 0 HZ3 LYS A 19 3.526 -48.066 -13.424 1.00 13.43 H new ATOM 337 N SER A 20 4.240 -42.403 -15.367 1.00 1.12 N ATOM 338 CA SER A 20 3.664 -41.086 -15.138 1.00 0.14 C ATOM 339 C SER A 20 3.862 -40.577 -13.706 1.00 0.10 C ATOM 340 O SER A 20 4.138 -41.350 -12.788 1.00 42.03 O ATOM 341 CB SER A 20 2.189 -41.091 -15.546 1.00 1.22 C ATOM 342 OG SER A 20 1.709 -39.768 -15.606 1.00 12.22 O ATOM 0 H SER A 20 3.545 -43.117 -15.583 1.00 1.12 H new ATOM 0 HA SER A 20 4.204 -40.377 -15.766 1.00 0.14 H new ATOM 0 HB2 SER A 20 2.071 -41.575 -16.515 1.00 1.22 H new ATOM 0 HB3 SER A 20 1.605 -41.668 -14.829 1.00 1.22 H new ATOM 0 HG SER A 20 2.428 -39.172 -15.904 1.00 12.22 H new ATOM 348 N ASN A 21 3.757 -39.252 -13.547 1.00 72.14 N ATOM 349 CA ASN A 21 4.153 -38.519 -12.356 1.00 74.54 C ATOM 350 C ASN A 21 3.445 -37.162 -12.359 1.00 74.24 C ATOM 351 O ASN A 21 3.332 -36.541 -13.411 1.00 33.20 O ATOM 352 CB ASN A 21 5.678 -38.346 -12.408 1.00 12.15 C ATOM 353 CG ASN A 21 6.261 -37.696 -11.155 1.00 14.42 C ATOM 354 OD1 ASN A 21 5.903 -36.577 -10.794 1.00 2.01 O ATOM 355 ND2 ASN A 21 7.181 -38.394 -10.489 1.00 45.23 N ATOM 0 H ASN A 21 3.379 -38.646 -14.275 1.00 72.14 H new ATOM 0 HA ASN A 21 3.878 -39.047 -11.443 1.00 74.54 H new ATOM 0 HB2 ASN A 21 6.142 -39.322 -12.550 1.00 12.15 H new ATOM 0 HB3 ASN A 21 5.937 -37.740 -13.276 1.00 12.15 H new ATOM 0 HD21 ASN A 21 7.611 -38.002 -9.651 1.00 45.23 H new ATOM 0 HD22 ASN A 21 7.455 -39.320 -10.817 1.00 45.23 H new ATOM 362 N PHE A 22 2.985 -36.690 -11.192 1.00 62.21 N ATOM 363 CA PHE A 22 2.370 -35.374 -11.054 1.00 12.43 C ATOM 364 C PHE A 22 3.421 -34.319 -10.713 1.00 53.41 C ATOM 365 O PHE A 22 4.052 -34.393 -9.660 1.00 5.04 O ATOM 366 CB PHE A 22 1.267 -35.390 -9.990 1.00 33.12 C ATOM 367 CG PHE A 22 -0.029 -36.046 -10.429 1.00 12.00 C ATOM 368 CD1 PHE A 22 -0.119 -37.447 -10.537 1.00 22.51 C ATOM 369 CD2 PHE A 22 -1.163 -35.253 -10.688 1.00 0.42 C ATOM 370 CE1 PHE A 22 -1.338 -38.050 -10.890 1.00 51.24 C ATOM 371 CE2 PHE A 22 -2.385 -35.857 -11.031 1.00 41.03 C ATOM 372 CZ PHE A 22 -2.472 -37.256 -11.133 1.00 11.04 C ATOM 0 H PHE A 22 3.032 -37.215 -10.319 1.00 62.21 H new ATOM 0 HA PHE A 22 1.917 -35.116 -12.011 1.00 12.43 H new ATOM 0 HB2 PHE A 22 1.640 -35.909 -9.107 1.00 33.12 H new ATOM 0 HB3 PHE A 22 1.055 -34.364 -9.690 1.00 33.12 H new ATOM 0 HD1 PHE A 22 0.750 -38.059 -10.348 1.00 22.51 H new ATOM 0 HD2 PHE A 22 -1.094 -34.177 -10.623 1.00 0.42 H new ATOM 0 HE1 PHE A 22 -1.404 -39.125 -10.975 1.00 51.24 H new ATOM 0 HE2 PHE A 22 -3.256 -35.246 -11.216 1.00 41.03 H new ATOM 0 HZ PHE A 22 -3.410 -37.721 -11.398 1.00 11.04 H new ATOM 382 N LEU A 23 3.556 -33.308 -11.580 1.00 45.12 N ATOM 383 CA LEU A 23 4.276 -32.078 -11.280 1.00 52.34 C ATOM 384 C LEU A 23 3.385 -31.273 -10.346 1.00 71.44 C ATOM 385 O LEU A 23 2.176 -31.285 -10.540 1.00 41.03 O ATOM 386 CB LEU A 23 4.514 -31.285 -12.574 1.00 64.23 C ATOM 387 CG LEU A 23 5.435 -30.073 -12.391 1.00 35.55 C ATOM 388 CD1 LEU A 23 6.860 -30.538 -12.075 1.00 25.13 C ATOM 389 CD2 LEU A 23 5.450 -29.243 -13.680 1.00 20.21 C ATOM 0 H LEU A 23 3.161 -33.328 -12.520 1.00 45.12 H new ATOM 0 HA LEU A 23 5.244 -32.288 -10.825 1.00 52.34 H new ATOM 0 HB2 LEU A 23 4.946 -31.949 -13.323 1.00 64.23 H new ATOM 0 HB3 LEU A 23 3.554 -30.946 -12.964 1.00 64.23 H new ATOM 0 HG LEU A 23 5.063 -29.467 -11.565 1.00 35.55 H new ATOM 0 HD11 LEU A 23 7.506 -29.670 -11.947 1.00 25.13 H new ATOM 0 HD12 LEU A 23 6.856 -31.126 -11.157 1.00 25.13 H new ATOM 0 HD13 LEU A 23 7.233 -31.150 -12.896 1.00 25.13 H new ATOM 0 HD21 LEU A 23 6.105 -28.381 -13.550 1.00 20.21 H new ATOM 0 HD22 LEU A 23 5.816 -29.856 -14.503 1.00 20.21 H new ATOM 0 HD23 LEU A 23 4.440 -28.901 -13.904 1.00 20.21 H new ATOM 401 N ASN A 24 3.955 -30.598 -9.342 1.00 25.21 N ATOM 402 CA ASN A 24 3.204 -29.832 -8.356 1.00 55.43 C ATOM 403 C ASN A 24 3.792 -28.425 -8.290 1.00 43.01 C ATOM 404 O ASN A 24 4.622 -28.139 -7.429 1.00 43.34 O ATOM 405 CB ASN A 24 3.246 -30.550 -6.999 1.00 11.42 C ATOM 406 CG ASN A 24 2.241 -31.702 -6.915 1.00 71.25 C ATOM 407 OD1 ASN A 24 2.071 -32.465 -7.862 1.00 12.33 O ATOM 408 ND2 ASN A 24 1.565 -31.833 -5.771 1.00 25.41 N ATOM 0 H ASN A 24 4.964 -30.571 -9.194 1.00 25.21 H new ATOM 0 HA ASN A 24 2.154 -29.751 -8.639 1.00 55.43 H new ATOM 0 HB2 ASN A 24 4.251 -30.935 -6.826 1.00 11.42 H new ATOM 0 HB3 ASN A 24 3.039 -29.832 -6.205 1.00 11.42 H new ATOM 0 HD21 ASN A 24 0.883 -32.584 -5.665 1.00 25.41 H new ATOM 0 HD22 ASN A 24 1.730 -31.182 -5.004 1.00 25.41 H new ATOM 415 N CYS A 25 3.344 -27.553 -9.205 1.00 72.14 N ATOM 416 CA CYS A 25 3.787 -26.165 -9.278 1.00 3.04 C ATOM 417 C CYS A 25 2.970 -25.317 -8.302 1.00 32.43 C ATOM 418 O CYS A 25 1.932 -24.763 -8.662 1.00 5.54 O ATOM 419 CB CYS A 25 3.717 -25.638 -10.719 1.00 74.21 C ATOM 420 SG CYS A 25 4.358 -23.950 -10.913 1.00 60.41 S ATOM 0 H CYS A 25 2.658 -27.800 -9.919 1.00 72.14 H new ATOM 0 HA CYS A 25 4.834 -26.101 -8.982 1.00 3.04 H new ATOM 0 HB2 CYS A 25 4.280 -26.308 -11.369 1.00 74.21 H new ATOM 0 HB3 CYS A 25 2.681 -25.664 -11.056 1.00 74.21 H new ATOM 425 N TYR A 26 3.448 -25.243 -7.055 1.00 21.12 N ATOM 426 CA TYR A 26 2.796 -24.556 -5.951 1.00 63.32 C ATOM 427 C TYR A 26 3.366 -23.141 -5.817 1.00 2.35 C ATOM 428 O TYR A 26 4.535 -22.982 -5.468 1.00 4.53 O ATOM 429 CB TYR A 26 3.009 -25.389 -4.685 1.00 15.22 C ATOM 430 CG TYR A 26 2.345 -24.836 -3.443 1.00 52.23 C ATOM 431 CD1 TYR A 26 0.946 -24.893 -3.313 1.00 13.01 C ATOM 432 CD2 TYR A 26 3.129 -24.372 -2.371 1.00 71.24 C ATOM 433 CE1 TYR A 26 0.337 -24.513 -2.107 1.00 15.14 C ATOM 434 CE2 TYR A 26 2.520 -23.987 -1.165 1.00 13.31 C ATOM 435 CZ TYR A 26 1.122 -24.059 -1.032 1.00 20.14 C ATOM 436 OH TYR A 26 0.527 -23.689 0.139 1.00 3.01 O ATOM 0 H TYR A 26 4.330 -25.677 -6.784 1.00 21.12 H new ATOM 0 HA TYR A 26 1.725 -24.453 -6.125 1.00 63.32 H new ATOM 0 HB2 TYR A 26 2.634 -26.397 -4.863 1.00 15.22 H new ATOM 0 HB3 TYR A 26 4.080 -25.476 -4.500 1.00 15.22 H new ATOM 0 HD1 TYR A 26 0.340 -25.229 -4.141 1.00 13.01 H new ATOM 0 HD2 TYR A 26 4.202 -24.312 -2.475 1.00 71.24 H new ATOM 0 HE1 TYR A 26 -0.737 -24.569 -2.004 1.00 15.14 H new ATOM 0 HE2 TYR A 26 3.124 -23.636 -0.342 1.00 13.31 H new ATOM 0 HH TYR A 26 1.212 -23.402 0.778 1.00 3.01 H new ATOM 446 N VAL A 27 2.553 -22.123 -6.139 1.00 1.12 N ATOM 447 CA VAL A 27 3.034 -20.769 -6.410 1.00 3.52 C ATOM 448 C VAL A 27 2.581 -19.779 -5.329 1.00 4.12 C ATOM 449 O VAL A 27 2.136 -18.682 -5.650 1.00 0.20 O ATOM 450 CB VAL A 27 2.566 -20.346 -7.821 1.00 2.03 C ATOM 451 CG1 VAL A 27 3.300 -21.154 -8.897 1.00 51.33 C ATOM 452 CG2 VAL A 27 1.050 -20.475 -8.040 1.00 45.25 C ATOM 0 H VAL A 27 1.541 -22.221 -6.218 1.00 1.12 H new ATOM 0 HA VAL A 27 4.124 -20.761 -6.383 1.00 3.52 H new ATOM 0 HB VAL A 27 2.811 -19.287 -7.903 1.00 2.03 H new ATOM 0 HG11 VAL A 27 2.957 -20.842 -9.883 1.00 51.33 H new ATOM 0 HG12 VAL A 27 4.373 -20.980 -8.814 1.00 51.33 H new ATOM 0 HG13 VAL A 27 3.093 -22.215 -8.760 1.00 51.33 H new ATOM 0 HG21 VAL A 27 0.801 -20.160 -9.053 1.00 45.25 H new ATOM 0 HG22 VAL A 27 0.749 -21.513 -7.899 1.00 45.25 H new ATOM 0 HG23 VAL A 27 0.524 -19.844 -7.324 1.00 45.25 H new ATOM 462 N SER A 28 2.674 -20.164 -4.051 1.00 24.35 N ATOM 463 CA SER A 28 1.966 -19.503 -2.957 1.00 72.14 C ATOM 464 C SER A 28 2.334 -18.026 -2.743 1.00 75.32 C ATOM 465 O SER A 28 3.508 -17.665 -2.738 1.00 4.53 O ATOM 466 CB SER A 28 2.163 -20.302 -1.663 1.00 52.41 C ATOM 467 OG SER A 28 3.534 -20.430 -1.346 1.00 1.30 O ATOM 0 H SER A 28 3.249 -20.950 -3.748 1.00 24.35 H new ATOM 0 HA SER A 28 0.915 -19.488 -3.246 1.00 72.14 H new ATOM 0 HB2 SER A 28 1.642 -19.807 -0.844 1.00 52.41 H new ATOM 0 HB3 SER A 28 1.718 -21.291 -1.772 1.00 52.41 H new ATOM 0 HG SER A 28 3.631 -20.942 -0.516 1.00 1.30 H new ATOM 473 N GLY A 29 1.311 -17.191 -2.502 1.00 73.21 N ATOM 474 CA GLY A 29 1.438 -15.838 -1.970 1.00 44.54 C ATOM 475 C GLY A 29 1.503 -14.758 -3.051 1.00 40.41 C ATOM 476 O GLY A 29 2.342 -13.865 -2.964 1.00 12.23 O ATOM 0 H GLY A 29 0.342 -17.455 -2.681 1.00 73.21 H new ATOM 0 HA2 GLY A 29 0.591 -15.634 -1.315 1.00 44.54 H new ATOM 0 HA3 GLY A 29 2.337 -15.781 -1.357 1.00 44.54 H new ATOM 480 N PHE A 30 0.614 -14.824 -4.052 1.00 41.41 N ATOM 481 CA PHE A 30 0.611 -13.926 -5.202 1.00 5.30 C ATOM 482 C PHE A 30 -0.495 -12.876 -5.103 1.00 74.44 C ATOM 483 O PHE A 30 -1.667 -13.177 -5.313 1.00 2.00 O ATOM 484 CB PHE A 30 0.505 -14.727 -6.503 1.00 54.41 C ATOM 485 CG PHE A 30 -0.669 -15.685 -6.609 1.00 5.25 C ATOM 486 CD1 PHE A 30 -1.824 -15.324 -7.327 1.00 24.41 C ATOM 487 CD2 PHE A 30 -0.614 -16.937 -5.973 1.00 40.35 C ATOM 488 CE1 PHE A 30 -2.938 -16.181 -7.347 1.00 61.13 C ATOM 489 CE2 PHE A 30 -1.712 -17.807 -6.022 1.00 0.25 C ATOM 490 CZ PHE A 30 -2.888 -17.413 -6.679 1.00 31.40 C ATOM 0 H PHE A 30 -0.134 -15.517 -4.080 1.00 41.41 H new ATOM 0 HA PHE A 30 1.558 -13.386 -5.206 1.00 5.30 H new ATOM 0 HB2 PHE A 30 0.449 -14.024 -7.334 1.00 54.41 H new ATOM 0 HB3 PHE A 30 1.425 -15.298 -6.629 1.00 54.41 H new ATOM 0 HD1 PHE A 30 -1.855 -14.387 -7.863 1.00 24.41 H new ATOM 0 HD2 PHE A 30 0.280 -17.231 -5.443 1.00 40.35 H new ATOM 0 HE1 PHE A 30 -3.833 -15.890 -7.877 1.00 61.13 H new ATOM 0 HE2 PHE A 30 -1.653 -18.779 -5.555 1.00 0.25 H new ATOM 0 HZ PHE A 30 -3.754 -18.058 -6.670 1.00 31.40 H new ATOM 500 N HIS A 31 -0.106 -11.636 -4.796 1.00 65.54 N ATOM 501 CA HIS A 31 -0.984 -10.469 -4.788 1.00 4.00 C ATOM 502 C HIS A 31 -0.622 -9.564 -5.968 1.00 43.32 C ATOM 503 O HIS A 31 0.520 -9.114 -6.025 1.00 52.22 O ATOM 504 CB HIS A 31 -0.843 -9.718 -3.456 1.00 42.51 C ATOM 505 CG HIS A 31 -1.728 -10.319 -2.395 1.00 3.33 C ATOM 506 ND1 HIS A 31 -2.774 -9.617 -1.817 1.00 22.30 N ATOM 507 CD2 HIS A 31 -1.836 -11.599 -1.908 1.00 35.50 C ATOM 508 CE1 HIS A 31 -3.466 -10.485 -1.060 1.00 23.22 C ATOM 509 NE2 HIS A 31 -2.949 -11.714 -1.081 1.00 55.01 N ATOM 0 H HIS A 31 0.856 -11.413 -4.539 1.00 65.54 H new ATOM 0 HA HIS A 31 -2.023 -10.783 -4.890 1.00 4.00 H new ATOM 0 HB2 HIS A 31 0.196 -9.748 -3.127 1.00 42.51 H new ATOM 0 HB3 HIS A 31 -1.102 -8.669 -3.598 1.00 42.51 H new ATOM 0 HD1 HIS A 31 -2.980 -8.626 -1.943 1.00 22.30 H new ATOM 0 HD2 HIS A 31 -1.152 -12.404 -2.135 1.00 35.50 H new ATOM 0 HE1 HIS A 31 -4.346 -10.216 -0.495 1.00 23.22 H new ATOM 517 N PRO A 32 -1.543 -9.272 -6.906 1.00 23.30 N ATOM 518 CA PRO A 32 -2.948 -9.656 -6.918 1.00 71.51 C ATOM 519 C PRO A 32 -3.111 -11.110 -7.364 1.00 61.23 C ATOM 520 O PRO A 32 -2.145 -11.760 -7.764 1.00 71.44 O ATOM 521 CB PRO A 32 -3.594 -8.714 -7.937 1.00 42.51 C ATOM 522 CG PRO A 32 -2.489 -8.554 -8.976 1.00 23.13 C ATOM 523 CD PRO A 32 -1.238 -8.503 -8.101 1.00 55.24 C ATOM 0 HA PRO A 32 -3.402 -9.581 -5.930 1.00 71.51 H new ATOM 0 HB2 PRO A 32 -4.500 -9.141 -8.368 1.00 42.51 H new ATOM 0 HB3 PRO A 32 -3.873 -7.760 -7.489 1.00 42.51 H new ATOM 0 HG2 PRO A 32 -2.463 -9.389 -9.677 1.00 23.13 H new ATOM 0 HG3 PRO A 32 -2.612 -7.646 -9.566 1.00 23.13 H new ATOM 0 HD2 PRO A 32 -0.380 -8.923 -8.625 1.00 55.24 H new ATOM 0 HD3 PRO A 32 -0.983 -7.474 -7.847 1.00 55.24 H new ATOM 531 N SER A 33 -4.357 -11.596 -7.323 1.00 11.04 N ATOM 532 CA SER A 33 -4.729 -12.939 -7.745 1.00 1.15 C ATOM 533 C SER A 33 -4.628 -13.155 -9.265 1.00 4.12 C ATOM 534 O SER A 33 -4.848 -14.275 -9.723 1.00 14.21 O ATOM 535 CB SER A 33 -6.142 -13.251 -7.241 1.00 13.00 C ATOM 536 OG SER A 33 -7.064 -12.298 -7.727 1.00 40.04 O ATOM 0 H SER A 33 -5.149 -11.048 -6.986 1.00 11.04 H new ATOM 0 HA SER A 33 -4.011 -13.630 -7.304 1.00 1.15 H new ATOM 0 HB2 SER A 33 -6.437 -14.249 -7.565 1.00 13.00 H new ATOM 0 HB3 SER A 33 -6.153 -13.253 -6.151 1.00 13.00 H new ATOM 0 HG SER A 33 -7.961 -12.513 -7.397 1.00 40.04 H new ATOM 542 N ASP A 34 -4.306 -12.112 -10.046 1.00 51.12 N ATOM 543 CA ASP A 34 -4.227 -12.167 -11.502 1.00 14.34 C ATOM 544 C ASP A 34 -2.882 -12.749 -11.948 1.00 61.43 C ATOM 545 O ASP A 34 -2.074 -12.058 -12.570 1.00 61.13 O ATOM 546 CB ASP A 34 -4.451 -10.761 -12.078 1.00 40.43 C ATOM 547 CG ASP A 34 -5.813 -10.198 -11.676 1.00 22.24 C ATOM 548 OD1 ASP A 34 -6.807 -10.597 -12.320 1.00 2.51 O ATOM 549 OD2 ASP A 34 -5.836 -9.383 -10.728 1.00 20.40 O ATOM 0 H ASP A 34 -4.090 -11.190 -9.668 1.00 51.12 H new ATOM 0 HA ASP A 34 -5.007 -12.826 -11.883 1.00 14.34 H new ATOM 0 HB2 ASP A 34 -3.663 -10.094 -11.727 1.00 40.43 H new ATOM 0 HB3 ASP A 34 -4.378 -10.797 -13.165 1.00 40.43 H new ATOM 554 N ILE A 35 -2.652 -14.029 -11.626 1.00 53.41 N ATOM 555 CA ILE A 35 -1.440 -14.755 -11.976 1.00 20.25 C ATOM 556 C ILE A 35 -1.645 -15.539 -13.272 1.00 15.15 C ATOM 557 O ILE A 35 -2.750 -16.003 -13.551 1.00 14.13 O ATOM 558 CB ILE A 35 -0.986 -15.645 -10.805 1.00 53.15 C ATOM 559 CG1 ILE A 35 0.447 -16.132 -11.059 1.00 31.14 C ATOM 560 CG2 ILE A 35 -1.951 -16.816 -10.551 1.00 64.44 C ATOM 561 CD1 ILE A 35 1.079 -16.741 -9.811 1.00 20.30 C ATOM 0 H ILE A 35 -3.322 -14.594 -11.104 1.00 53.41 H new ATOM 0 HA ILE A 35 -0.634 -14.045 -12.160 1.00 20.25 H new ATOM 0 HB ILE A 35 -1.000 -15.046 -9.894 1.00 53.15 H new ATOM 0 HG12 ILE A 35 0.441 -16.872 -11.859 1.00 31.14 H new ATOM 0 HG13 ILE A 35 1.057 -15.297 -11.402 1.00 31.14 H new ATOM 0 HG21 ILE A 35 -1.586 -17.413 -9.715 1.00 64.44 H new ATOM 0 HG22 ILE A 35 -2.941 -16.427 -10.314 1.00 64.44 H new ATOM 0 HG23 ILE A 35 -2.010 -17.439 -11.444 1.00 64.44 H new ATOM 0 HD11 ILE A 35 2.092 -17.071 -10.040 1.00 20.30 H new ATOM 0 HD12 ILE A 35 1.111 -15.994 -9.018 1.00 20.30 H new ATOM 0 HD13 ILE A 35 0.485 -17.594 -9.482 1.00 20.30 H new ATOM 573 N GLU A 36 -0.569 -15.673 -14.055 1.00 24.43 N ATOM 574 CA GLU A 36 -0.566 -16.296 -15.367 1.00 71.35 C ATOM 575 C GLU A 36 0.438 -17.452 -15.364 1.00 11.54 C ATOM 576 O GLU A 36 1.536 -17.342 -15.907 1.00 4.03 O ATOM 577 CB GLU A 36 -0.205 -15.239 -16.417 1.00 22.50 C ATOM 578 CG GLU A 36 -1.116 -14.002 -16.409 1.00 34.40 C ATOM 579 CD GLU A 36 -2.580 -14.347 -16.669 1.00 73.13 C ATOM 580 OE1 GLU A 36 -3.394 -14.113 -15.750 1.00 2.44 O ATOM 581 OE2 GLU A 36 -2.859 -14.828 -17.788 1.00 63.21 O ATOM 0 H GLU A 36 0.352 -15.336 -13.775 1.00 24.43 H new ATOM 0 HA GLU A 36 -1.549 -16.698 -15.611 1.00 71.35 H new ATOM 0 HB2 GLU A 36 0.824 -14.919 -16.254 1.00 22.50 H new ATOM 0 HB3 GLU A 36 -0.243 -15.698 -17.405 1.00 22.50 H new ATOM 0 HG2 GLU A 36 -1.031 -13.499 -15.446 1.00 34.40 H new ATOM 0 HG3 GLU A 36 -0.773 -13.298 -17.167 1.00 34.40 H new ATOM 588 N VAL A 37 0.049 -18.571 -14.747 1.00 71.41 N ATOM 589 CA VAL A 37 0.848 -19.790 -14.720 1.00 74.53 C ATOM 590 C VAL A 37 0.557 -20.597 -15.985 1.00 34.43 C ATOM 591 O VAL A 37 -0.351 -21.428 -16.011 1.00 61.11 O ATOM 592 CB VAL A 37 0.581 -20.608 -13.450 1.00 11.21 C ATOM 593 CG1 VAL A 37 1.556 -21.788 -13.370 1.00 3.23 C ATOM 594 CG2 VAL A 37 0.765 -19.748 -12.196 1.00 32.21 C ATOM 0 H VAL A 37 -0.838 -18.653 -14.249 1.00 71.41 H new ATOM 0 HA VAL A 37 1.906 -19.529 -14.699 1.00 74.53 H new ATOM 0 HB VAL A 37 -0.447 -20.967 -13.498 1.00 11.21 H new ATOM 0 HG11 VAL A 37 1.358 -22.363 -12.465 1.00 3.23 H new ATOM 0 HG12 VAL A 37 1.425 -22.428 -14.242 1.00 3.23 H new ATOM 0 HG13 VAL A 37 2.579 -21.413 -13.346 1.00 3.23 H new ATOM 0 HG21 VAL A 37 0.570 -20.351 -11.309 1.00 32.21 H new ATOM 0 HG22 VAL A 37 1.787 -19.370 -12.160 1.00 32.21 H new ATOM 0 HG23 VAL A 37 0.069 -18.909 -12.225 1.00 32.21 H new ATOM 604 N ASP A 38 1.340 -20.334 -17.033 1.00 13.53 N ATOM 605 CA ASP A 38 1.172 -20.916 -18.357 1.00 60.31 C ATOM 606 C ASP A 38 2.119 -22.115 -18.489 1.00 23.10 C ATOM 607 O ASP A 38 2.967 -22.154 -19.380 1.00 24.41 O ATOM 608 CB ASP A 38 1.420 -19.802 -19.390 1.00 64.23 C ATOM 609 CG ASP A 38 0.961 -20.136 -20.810 1.00 13.20 C ATOM 610 OD1 ASP A 38 0.911 -21.337 -21.152 1.00 5.45 O ATOM 611 OD2 ASP A 38 0.689 -19.166 -21.550 1.00 11.13 O ATOM 0 H ASP A 38 2.130 -19.691 -16.978 1.00 13.53 H new ATOM 0 HA ASP A 38 0.166 -21.300 -18.528 1.00 60.31 H new ATOM 0 HB2 ASP A 38 0.908 -18.898 -19.060 1.00 64.23 H new ATOM 0 HB3 ASP A 38 2.486 -19.575 -19.411 1.00 64.23 H new ATOM 616 N LEU A 39 1.992 -23.078 -17.563 1.00 40.14 N ATOM 617 CA LEU A 39 2.922 -24.190 -17.411 1.00 4.35 C ATOM 618 C LEU A 39 2.943 -25.126 -18.614 1.00 74.24 C ATOM 619 O LEU A 39 1.945 -25.269 -19.320 1.00 52.04 O ATOM 620 CB LEU A 39 2.685 -24.967 -16.112 1.00 11.41 C ATOM 621 CG LEU A 39 1.399 -25.813 -16.072 1.00 0.42 C ATOM 622 CD1 LEU A 39 1.551 -26.882 -14.982 1.00 34.24 C ATOM 623 CD2 LEU A 39 0.135 -24.991 -15.787 1.00 35.42 C ATOM 0 H LEU A 39 1.225 -23.099 -16.891 1.00 40.14 H new ATOM 0 HA LEU A 39 3.911 -23.735 -17.353 1.00 4.35 H new ATOM 0 HB2 LEU A 39 3.537 -25.625 -15.942 1.00 11.41 H new ATOM 0 HB3 LEU A 39 2.659 -24.258 -15.284 1.00 11.41 H new ATOM 0 HG LEU A 39 1.273 -26.254 -17.061 1.00 0.42 H new ATOM 0 HD11 LEU A 39 0.648 -27.490 -14.941 1.00 34.24 H new ATOM 0 HD12 LEU A 39 2.406 -27.517 -15.212 1.00 34.24 H new ATOM 0 HD13 LEU A 39 1.707 -26.399 -14.018 1.00 34.24 H new ATOM 0 HD21 LEU A 39 -0.733 -25.651 -15.773 1.00 35.42 H new ATOM 0 HD22 LEU A 39 0.232 -24.498 -14.819 1.00 35.42 H new ATOM 0 HD23 LEU A 39 0.007 -24.239 -16.566 1.00 35.42 H new ATOM 635 N LEU A 40 4.112 -25.744 -18.827 1.00 64.53 N ATOM 636 CA LEU A 40 4.467 -26.448 -20.051 1.00 15.32 C ATOM 637 C LEU A 40 5.023 -27.845 -19.763 1.00 73.32 C ATOM 638 O LEU A 40 5.453 -28.136 -18.646 1.00 20.31 O ATOM 639 CB LEU A 40 5.523 -25.638 -20.826 1.00 23.43 C ATOM 640 CG LEU A 40 5.178 -24.155 -21.043 1.00 44.12 C ATOM 641 CD1 LEU A 40 6.318 -23.473 -21.804 1.00 12.04 C ATOM 642 CD2 LEU A 40 3.880 -23.986 -21.837 1.00 11.04 C ATOM 0 H LEU A 40 4.854 -25.764 -18.127 1.00 64.53 H new ATOM 0 HA LEU A 40 3.559 -26.557 -20.644 1.00 15.32 H new ATOM 0 HB2 LEU A 40 6.471 -25.700 -20.291 1.00 23.43 H new ATOM 0 HB3 LEU A 40 5.675 -26.106 -21.799 1.00 23.43 H new ATOM 0 HG LEU A 40 5.042 -23.697 -20.063 1.00 44.12 H new ATOM 0 HD11 LEU A 40 6.075 -22.422 -21.958 1.00 12.04 H new ATOM 0 HD12 LEU A 40 7.239 -23.551 -21.226 1.00 12.04 H new ATOM 0 HD13 LEU A 40 6.453 -23.960 -22.770 1.00 12.04 H new ATOM 0 HD21 LEU A 40 3.670 -22.925 -21.970 1.00 11.04 H new ATOM 0 HD22 LEU A 40 3.986 -24.460 -22.813 1.00 11.04 H new ATOM 0 HD23 LEU A 40 3.058 -24.453 -21.294 1.00 11.04 H new ATOM 654 N LYS A 41 5.059 -28.680 -20.811 1.00 62.42 N ATOM 655 CA LYS A 41 5.799 -29.932 -20.868 1.00 42.22 C ATOM 656 C LYS A 41 6.563 -29.964 -22.189 1.00 63.51 C ATOM 657 O LYS A 41 5.961 -30.096 -23.251 1.00 64.31 O ATOM 658 CB LYS A 41 4.881 -31.156 -20.700 1.00 51.21 C ATOM 659 CG LYS A 41 3.680 -31.235 -21.656 1.00 31.31 C ATOM 660 CD LYS A 41 2.769 -32.433 -21.348 1.00 52.54 C ATOM 661 CE LYS A 41 3.429 -33.801 -21.576 1.00 71.34 C ATOM 662 NZ LYS A 41 3.930 -33.962 -22.954 1.00 53.52 N ATOM 0 H LYS A 41 4.550 -28.486 -21.673 1.00 62.42 H new ATOM 0 HA LYS A 41 6.501 -29.983 -20.035 1.00 42.22 H new ATOM 0 HB2 LYS A 41 5.482 -32.056 -20.829 1.00 51.21 H new ATOM 0 HB3 LYS A 41 4.506 -31.166 -19.676 1.00 51.21 H new ATOM 0 HG2 LYS A 41 3.101 -30.314 -21.586 1.00 31.31 H new ATOM 0 HG3 LYS A 41 4.039 -31.309 -22.682 1.00 31.31 H new ATOM 0 HD2 LYS A 41 2.441 -32.369 -20.310 1.00 52.54 H new ATOM 0 HD3 LYS A 41 1.876 -32.365 -21.969 1.00 52.54 H new ATOM 0 HE2 LYS A 41 4.255 -33.924 -20.876 1.00 71.34 H new ATOM 0 HE3 LYS A 41 2.708 -34.589 -21.360 1.00 71.34 H new ATOM 0 HZ1 LYS A 41 3.632 -34.886 -23.326 1.00 53.52 H new ATOM 0 HZ2 LYS A 41 3.543 -33.206 -23.555 1.00 53.52 H new ATOM 0 HZ3 LYS A 41 4.969 -33.907 -22.954 1.00 53.52 H new ATOM 676 N ASN A 42 7.892 -29.822 -22.129 1.00 74.41 N ATOM 677 CA ASN A 42 8.751 -29.850 -23.306 1.00 11.22 C ATOM 678 C ASN A 42 8.325 -28.781 -24.324 1.00 42.03 C ATOM 679 O ASN A 42 8.300 -29.041 -25.526 1.00 23.30 O ATOM 680 CB ASN A 42 8.765 -31.266 -23.913 1.00 51.13 C ATOM 681 CG ASN A 42 8.941 -32.350 -22.847 1.00 31.40 C ATOM 682 OD1 ASN A 42 9.850 -32.269 -22.027 1.00 2.43 O ATOM 683 ND2 ASN A 42 8.062 -33.355 -22.840 1.00 31.22 N ATOM 0 H ASN A 42 8.399 -29.684 -21.255 1.00 74.41 H new ATOM 0 HA ASN A 42 9.771 -29.607 -23.010 1.00 11.22 H new ATOM 0 HB2 ASN A 42 7.834 -31.437 -24.453 1.00 51.13 H new ATOM 0 HB3 ASN A 42 9.573 -31.340 -24.641 1.00 51.13 H new ATOM 0 HD21 ASN A 42 8.133 -34.090 -22.136 1.00 31.22 H new ATOM 0 HD22 ASN A 42 7.319 -33.388 -23.539 1.00 31.22 H new ATOM 690 N GLY A 43 7.955 -27.587 -23.835 1.00 32.11 N ATOM 691 CA GLY A 43 7.468 -26.486 -24.656 1.00 60.11 C ATOM 692 C GLY A 43 5.954 -26.529 -24.904 1.00 53.12 C ATOM 693 O GLY A 43 5.360 -25.479 -25.143 1.00 20.30 O ATOM 0 H GLY A 43 7.989 -27.364 -22.840 1.00 32.11 H new ATOM 0 HA2 GLY A 43 7.722 -25.543 -24.172 1.00 60.11 H new ATOM 0 HA3 GLY A 43 7.986 -26.502 -25.615 1.00 60.11 H new ATOM 697 N GLU A 44 5.322 -27.713 -24.863 1.00 62.53 N ATOM 698 CA GLU A 44 3.907 -27.877 -25.178 1.00 0.13 C ATOM 699 C GLU A 44 3.061 -27.307 -24.044 1.00 73.52 C ATOM 700 O GLU A 44 3.332 -27.598 -22.882 1.00 24.43 O ATOM 701 CB GLU A 44 3.546 -29.360 -25.343 1.00 62.44 C ATOM 702 CG GLU A 44 4.430 -30.129 -26.330 1.00 51.04 C ATOM 703 CD GLU A 44 4.070 -31.613 -26.299 1.00 1.33 C ATOM 704 OE1 GLU A 44 4.585 -32.302 -25.391 1.00 1.12 O ATOM 705 OE2 GLU A 44 3.274 -32.030 -27.168 1.00 23.10 O ATOM 0 H GLU A 44 5.787 -28.584 -24.608 1.00 62.53 H new ATOM 0 HA GLU A 44 3.710 -27.351 -26.112 1.00 0.13 H new ATOM 0 HB2 GLU A 44 3.606 -29.845 -24.369 1.00 62.44 H new ATOM 0 HB3 GLU A 44 2.509 -29.433 -25.672 1.00 62.44 H new ATOM 0 HG2 GLU A 44 4.296 -29.734 -27.337 1.00 51.04 H new ATOM 0 HG3 GLU A 44 5.481 -29.995 -26.072 1.00 51.04 H new ATOM 712 N ARG A 45 2.017 -26.538 -24.372 1.00 1.50 N ATOM 713 CA ARG A 45 1.069 -26.046 -23.383 1.00 32.11 C ATOM 714 C ARG A 45 0.304 -27.211 -22.752 1.00 20.13 C ATOM 715 O ARG A 45 -0.081 -28.152 -23.444 1.00 71.45 O ATOM 716 CB ARG A 45 0.127 -25.012 -24.016 1.00 54.43 C ATOM 717 CG ARG A 45 -0.857 -25.643 -25.011 1.00 32.44 C ATOM 718 CD ARG A 45 -1.582 -24.571 -25.827 1.00 11.11 C ATOM 719 NE ARG A 45 -2.586 -25.179 -26.711 1.00 25.40 N ATOM 720 CZ ARG A 45 -3.819 -25.562 -26.335 1.00 35.32 C ATOM 721 NH1 ARG A 45 -4.268 -25.334 -25.092 1.00 62.45 N ATOM 722 NH2 ARG A 45 -4.614 -26.184 -27.216 1.00 73.41 N ATOM 0 H ARG A 45 1.811 -26.244 -25.327 1.00 1.50 H new ATOM 0 HA ARG A 45 1.613 -25.544 -22.583 1.00 32.11 H new ATOM 0 HB2 ARG A 45 -0.432 -24.505 -23.229 1.00 54.43 H new ATOM 0 HB3 ARG A 45 0.718 -24.252 -24.527 1.00 54.43 H new ATOM 0 HG2 ARG A 45 -0.320 -26.313 -25.682 1.00 32.44 H new ATOM 0 HG3 ARG A 45 -1.586 -26.248 -24.472 1.00 32.44 H new ATOM 0 HD2 ARG A 45 -2.064 -23.861 -25.156 1.00 11.11 H new ATOM 0 HD3 ARG A 45 -0.861 -24.009 -26.420 1.00 11.11 H new ATOM 0 HE ARG A 45 -2.327 -25.322 -27.687 1.00 25.40 H new ATOM 0 HH11 ARG A 45 -3.671 -24.862 -24.413 1.00 62.45 H new ATOM 0 HH12 ARG A 45 -5.206 -25.632 -24.826 1.00 62.45 H new ATOM 0 HH21 ARG A 45 -4.283 -26.364 -28.164 1.00 73.41 H new ATOM 0 HH22 ARG A 45 -5.551 -26.478 -26.939 1.00 73.41 H new ATOM 736 N ILE A 46 0.077 -27.141 -21.435 1.00 35.41 N ATOM 737 CA ILE A 46 -0.766 -28.093 -20.730 1.00 13.25 C ATOM 738 C ILE A 46 -2.227 -27.728 -20.996 1.00 20.45 C ATOM 739 O ILE A 46 -2.660 -26.621 -20.681 1.00 12.43 O ATOM 740 CB ILE A 46 -0.440 -28.079 -19.226 1.00 33.12 C ATOM 741 CG1 ILE A 46 1.003 -28.528 -18.928 1.00 2.11 C ATOM 742 CG2 ILE A 46 -1.444 -28.930 -18.436 1.00 31.32 C ATOM 743 CD1 ILE A 46 1.310 -29.988 -19.271 1.00 45.13 C ATOM 0 H ILE A 46 0.476 -26.420 -20.835 1.00 35.41 H new ATOM 0 HA ILE A 46 -0.582 -29.106 -21.087 1.00 13.25 H new ATOM 0 HB ILE A 46 -0.526 -27.043 -18.900 1.00 33.12 H new ATOM 0 HG12 ILE A 46 1.689 -27.888 -19.483 1.00 2.11 H new ATOM 0 HG13 ILE A 46 1.206 -28.369 -17.869 1.00 2.11 H new ATOM 0 HG21 ILE A 46 -1.190 -28.902 -17.376 1.00 31.32 H new ATOM 0 HG22 ILE A 46 -2.449 -28.533 -18.579 1.00 31.32 H new ATOM 0 HG23 ILE A 46 -1.407 -29.960 -18.791 1.00 31.32 H new ATOM 0 HD11 ILE A 46 2.349 -30.209 -19.026 1.00 45.13 H new ATOM 0 HD12 ILE A 46 0.655 -30.642 -18.696 1.00 45.13 H new ATOM 0 HD13 ILE A 46 1.145 -30.154 -20.336 1.00 45.13 H new ATOM 755 N GLU A 47 -2.980 -28.680 -21.558 1.00 34.52 N ATOM 756 CA GLU A 47 -4.423 -28.588 -21.738 1.00 41.32 C ATOM 757 C GLU A 47 -5.121 -29.059 -20.462 1.00 40.54 C ATOM 758 O GLU A 47 -6.077 -28.432 -20.009 1.00 73.22 O ATOM 759 CB GLU A 47 -4.856 -29.456 -22.926 1.00 5.44 C ATOM 760 CG GLU A 47 -4.509 -28.813 -24.274 1.00 35.43 C ATOM 761 CD GLU A 47 -4.926 -29.704 -25.443 1.00 44.42 C ATOM 762 OE1 GLU A 47 -5.563 -29.161 -26.372 1.00 41.03 O ATOM 763 OE2 GLU A 47 -4.599 -30.910 -25.387 1.00 34.33 O ATOM 0 H GLU A 47 -2.588 -29.555 -21.907 1.00 34.52 H new ATOM 0 HA GLU A 47 -4.701 -27.554 -21.941 1.00 41.32 H new ATOM 0 HB2 GLU A 47 -4.373 -30.431 -22.856 1.00 5.44 H new ATOM 0 HB3 GLU A 47 -5.931 -29.628 -22.874 1.00 5.44 H new ATOM 0 HG2 GLU A 47 -5.006 -27.847 -24.356 1.00 35.43 H new ATOM 0 HG3 GLU A 47 -3.437 -28.625 -24.323 1.00 35.43 H new ATOM 770 N LYS A 48 -4.639 -30.174 -19.895 1.00 64.12 N ATOM 771 CA LYS A 48 -5.191 -30.809 -18.711 1.00 42.35 C ATOM 772 C LYS A 48 -4.578 -30.142 -17.479 1.00 42.05 C ATOM 773 O LYS A 48 -3.793 -30.755 -16.755 1.00 1.41 O ATOM 774 CB LYS A 48 -4.936 -32.329 -18.750 1.00 14.02 C ATOM 775 CG LYS A 48 -5.627 -33.030 -19.933 1.00 13.40 C ATOM 776 CD LYS A 48 -4.768 -33.093 -21.207 1.00 63.21 C ATOM 777 CE LYS A 48 -5.643 -33.424 -22.420 1.00 15.44 C ATOM 778 NZ LYS A 48 -4.857 -33.468 -23.666 1.00 45.11 N ATOM 0 H LYS A 48 -3.828 -30.667 -20.267 1.00 64.12 H new ATOM 0 HA LYS A 48 -6.273 -30.680 -18.671 1.00 42.35 H new ATOM 0 HB2 LYS A 48 -3.862 -32.509 -18.806 1.00 14.02 H new ATOM 0 HB3 LYS A 48 -5.286 -32.773 -17.818 1.00 14.02 H new ATOM 0 HG2 LYS A 48 -5.894 -34.044 -19.636 1.00 13.40 H new ATOM 0 HG3 LYS A 48 -6.557 -32.508 -20.159 1.00 13.40 H new ATOM 0 HD2 LYS A 48 -4.265 -32.139 -21.362 1.00 63.21 H new ATOM 0 HD3 LYS A 48 -3.991 -33.849 -21.093 1.00 63.21 H new ATOM 0 HE2 LYS A 48 -6.131 -34.386 -22.264 1.00 15.44 H new ATOM 0 HE3 LYS A 48 -6.432 -32.677 -22.514 1.00 15.44 H new ATOM 0 HZ1 LYS A 48 -5.282 -34.156 -24.320 1.00 45.11 H new ATOM 0 HZ2 LYS A 48 -4.854 -32.527 -24.108 1.00 45.11 H new ATOM 0 HZ3 LYS A 48 -3.880 -33.752 -23.450 1.00 45.11 H new ATOM 792 N VAL A 49 -4.936 -28.869 -17.262 1.00 52.22 N ATOM 793 CA VAL A 49 -4.521 -28.105 -16.100 1.00 63.31 C ATOM 794 C VAL A 49 -5.451 -28.497 -14.959 1.00 43.03 C ATOM 795 O VAL A 49 -6.634 -28.157 -14.977 1.00 40.25 O ATOM 796 CB VAL A 49 -4.602 -26.591 -16.364 1.00 54.33 C ATOM 797 CG1 VAL A 49 -4.029 -25.818 -15.170 1.00 20.53 C ATOM 798 CG2 VAL A 49 -3.853 -26.164 -17.632 1.00 73.22 C ATOM 0 H VAL A 49 -5.530 -28.343 -17.903 1.00 52.22 H new ATOM 0 HA VAL A 49 -3.482 -28.324 -15.856 1.00 63.31 H new ATOM 0 HB VAL A 49 -5.657 -26.359 -16.506 1.00 54.33 H new ATOM 0 HG11 VAL A 49 -4.091 -24.748 -15.366 1.00 20.53 H new ATOM 0 HG12 VAL A 49 -4.602 -26.056 -14.274 1.00 20.53 H new ATOM 0 HG13 VAL A 49 -2.987 -26.100 -15.020 1.00 20.53 H new ATOM 0 HG21 VAL A 49 -3.947 -25.086 -17.764 1.00 73.22 H new ATOM 0 HG22 VAL A 49 -2.800 -26.428 -17.539 1.00 73.22 H new ATOM 0 HG23 VAL A 49 -4.280 -26.674 -18.496 1.00 73.22 H new ATOM 808 N GLU A 50 -4.906 -29.207 -13.971 1.00 33.51 N ATOM 809 CA GLU A 50 -5.620 -29.591 -12.768 1.00 11.00 C ATOM 810 C GLU A 50 -5.142 -28.646 -11.677 1.00 45.34 C ATOM 811 O GLU A 50 -3.947 -28.367 -11.602 1.00 21.45 O ATOM 812 CB GLU A 50 -5.328 -31.053 -12.415 1.00 71.12 C ATOM 813 CG GLU A 50 -5.491 -32.019 -13.596 1.00 33.34 C ATOM 814 CD GLU A 50 -6.852 -31.880 -14.272 1.00 71.33 C ATOM 815 OE1 GLU A 50 -7.844 -32.309 -13.644 1.00 24.30 O ATOM 816 OE2 GLU A 50 -6.877 -31.343 -15.402 1.00 5.02 O ATOM 0 H GLU A 50 -3.940 -29.533 -13.991 1.00 33.51 H new ATOM 0 HA GLU A 50 -6.700 -29.517 -12.897 1.00 11.00 H new ATOM 0 HB2 GLU A 50 -4.310 -31.129 -12.034 1.00 71.12 H new ATOM 0 HB3 GLU A 50 -5.994 -31.363 -11.610 1.00 71.12 H new ATOM 0 HG2 GLU A 50 -4.704 -31.833 -14.327 1.00 33.34 H new ATOM 0 HG3 GLU A 50 -5.365 -33.043 -13.245 1.00 33.34 H new ATOM 823 N HIS A 51 -6.062 -28.093 -10.882 1.00 13.10 N ATOM 824 CA HIS A 51 -5.733 -26.956 -10.039 1.00 32.20 C ATOM 825 C HIS A 51 -6.704 -26.809 -8.872 1.00 40.51 C ATOM 826 O HIS A 51 -7.872 -27.184 -8.968 1.00 13.12 O ATOM 827 CB HIS A 51 -5.684 -25.687 -10.897 1.00 13.42 C ATOM 828 CG HIS A 51 -6.944 -25.470 -11.691 1.00 52.03 C ATOM 829 ND1 HIS A 51 -7.119 -25.982 -12.968 1.00 22.43 N ATOM 830 CD2 HIS A 51 -8.137 -24.868 -11.376 1.00 31.22 C ATOM 831 CE1 HIS A 51 -8.357 -25.649 -13.365 1.00 43.15 C ATOM 832 NE2 HIS A 51 -9.033 -24.969 -12.437 1.00 63.23 N ATOM 0 H HIS A 51 -7.027 -28.414 -10.809 1.00 13.10 H new ATOM 0 HA HIS A 51 -4.751 -27.124 -9.596 1.00 32.20 H new ATOM 0 HB2 HIS A 51 -5.513 -24.825 -10.253 1.00 13.42 H new ATOM 0 HB3 HIS A 51 -4.836 -25.748 -11.579 1.00 13.42 H new ATOM 0 HD2 HIS A 51 -8.351 -24.383 -10.435 1.00 31.22 H new ATOM 0 HE1 HIS A 51 -8.763 -25.904 -14.333 1.00 43.15 H new ATOM 0 HE2 HIS A 51 -9.985 -24.607 -12.492 1.00 63.23 H new ATOM 840 N SER A 52 -6.185 -26.271 -7.762 1.00 73.31 N ATOM 841 CA SER A 52 -6.918 -26.086 -6.520 1.00 23.25 C ATOM 842 C SER A 52 -7.777 -24.824 -6.603 1.00 20.40 C ATOM 843 O SER A 52 -7.471 -23.908 -7.367 1.00 64.43 O ATOM 844 CB SER A 52 -5.915 -25.997 -5.364 1.00 74.24 C ATOM 845 OG SER A 52 -6.586 -25.916 -4.125 1.00 33.50 O ATOM 0 H SER A 52 -5.219 -25.947 -7.709 1.00 73.31 H new ATOM 0 HA SER A 52 -7.585 -26.931 -6.347 1.00 23.25 H new ATOM 0 HB2 SER A 52 -5.263 -26.871 -5.374 1.00 74.24 H new ATOM 0 HB3 SER A 52 -5.278 -25.123 -5.496 1.00 74.24 H new ATOM 0 HG SER A 52 -5.929 -25.862 -3.400 1.00 33.50 H new ATOM 851 N ASP A 53 -8.841 -24.773 -5.793 1.00 3.45 N ATOM 852 CA ASP A 53 -9.684 -23.595 -5.653 1.00 33.22 C ATOM 853 C ASP A 53 -8.906 -22.475 -4.955 1.00 12.53 C ATOM 854 O ASP A 53 -8.018 -22.741 -4.145 1.00 21.20 O ATOM 855 CB ASP A 53 -10.984 -23.948 -4.916 1.00 2.54 C ATOM 856 CG ASP A 53 -10.763 -24.403 -3.472 1.00 33.40 C ATOM 857 OD1 ASP A 53 -11.325 -23.736 -2.576 1.00 45.34 O ATOM 858 OD2 ASP A 53 -10.053 -25.416 -3.288 1.00 2.54 O ATOM 0 H ASP A 53 -9.138 -25.559 -5.214 1.00 3.45 H new ATOM 0 HA ASP A 53 -9.967 -23.232 -6.641 1.00 33.22 H new ATOM 0 HB2 ASP A 53 -11.641 -23.078 -4.918 1.00 2.54 H new ATOM 0 HB3 ASP A 53 -11.499 -24.738 -5.463 1.00 2.54 H new ATOM 863 N LEU A 54 -9.222 -21.223 -5.309 1.00 45.02 N ATOM 864 CA LEU A 54 -8.497 -20.042 -4.859 1.00 40.04 C ATOM 865 C LEU A 54 -8.861 -19.714 -3.406 1.00 64.41 C ATOM 866 O LEU A 54 -9.734 -18.887 -3.145 1.00 20.33 O ATOM 867 CB LEU A 54 -8.793 -18.873 -5.812 1.00 33.43 C ATOM 868 CG LEU A 54 -7.936 -17.636 -5.498 1.00 40.12 C ATOM 869 CD1 LEU A 54 -6.517 -17.772 -6.062 1.00 1.42 C ATOM 870 CD2 LEU A 54 -8.594 -16.381 -6.081 1.00 52.24 C ATOM 0 H LEU A 54 -10.003 -21.005 -5.927 1.00 45.02 H new ATOM 0 HA LEU A 54 -7.424 -20.232 -4.881 1.00 40.04 H new ATOM 0 HB2 LEU A 54 -8.610 -19.189 -6.839 1.00 33.43 H new ATOM 0 HB3 LEU A 54 -9.848 -18.609 -5.743 1.00 33.43 H new ATOM 0 HG LEU A 54 -7.866 -17.551 -4.414 1.00 40.12 H new ATOM 0 HD11 LEU A 54 -5.942 -16.878 -5.820 1.00 1.42 H new ATOM 0 HD12 LEU A 54 -6.033 -18.645 -5.623 1.00 1.42 H new ATOM 0 HD13 LEU A 54 -6.565 -17.890 -7.145 1.00 1.42 H new ATOM 0 HD21 LEU A 54 -7.980 -15.509 -5.854 1.00 52.24 H new ATOM 0 HD22 LEU A 54 -8.687 -16.488 -7.162 1.00 52.24 H new ATOM 0 HD23 LEU A 54 -9.584 -16.252 -5.643 1.00 52.24 H new ATOM 882 N SER A 55 -8.166 -20.367 -2.470 1.00 51.22 N ATOM 883 CA SER A 55 -8.366 -20.231 -1.035 1.00 63.24 C ATOM 884 C SER A 55 -7.307 -19.309 -0.427 1.00 52.32 C ATOM 885 O SER A 55 -6.198 -19.195 -0.950 1.00 71.23 O ATOM 886 CB SER A 55 -8.293 -21.619 -0.394 1.00 43.04 C ATOM 887 OG SER A 55 -9.350 -22.422 -0.868 1.00 72.44 O ATOM 0 H SER A 55 -7.424 -21.026 -2.705 1.00 51.22 H new ATOM 0 HA SER A 55 -9.344 -19.788 -0.846 1.00 63.24 H new ATOM 0 HB2 SER A 55 -7.336 -22.087 -0.627 1.00 43.04 H new ATOM 0 HB3 SER A 55 -8.349 -21.532 0.691 1.00 43.04 H new ATOM 0 HG SER A 55 -9.297 -23.309 -0.456 1.00 72.44 H new ATOM 893 N PHE A 56 -7.657 -18.671 0.697 1.00 45.22 N ATOM 894 CA PHE A 56 -6.769 -17.809 1.465 1.00 2.23 C ATOM 895 C PHE A 56 -6.067 -18.637 2.540 1.00 61.45 C ATOM 896 O PHE A 56 -6.730 -19.356 3.287 1.00 54.53 O ATOM 897 CB PHE A 56 -7.578 -16.690 2.128 1.00 0.21 C ATOM 898 CG PHE A 56 -8.447 -15.885 1.183 1.00 20.13 C ATOM 899 CD1 PHE A 56 -7.896 -14.813 0.459 1.00 5.00 C ATOM 900 CD2 PHE A 56 -9.824 -16.160 1.085 1.00 22.23 C ATOM 901 CE1 PHE A 56 -8.739 -13.935 -0.242 1.00 11.35 C ATOM 902 CE2 PHE A 56 -10.657 -15.321 0.326 1.00 54.25 C ATOM 903 CZ PHE A 56 -10.120 -14.188 -0.309 1.00 32.11 C ATOM 0 H PHE A 56 -8.590 -18.746 1.102 1.00 45.22 H new ATOM 0 HA PHE A 56 -6.027 -17.368 0.799 1.00 2.23 H new ATOM 0 HB2 PHE A 56 -8.213 -17.128 2.898 1.00 0.21 H new ATOM 0 HB3 PHE A 56 -6.888 -16.012 2.631 1.00 0.21 H new ATOM 0 HD1 PHE A 56 -6.826 -14.665 0.442 1.00 5.00 H new ATOM 0 HD2 PHE A 56 -10.241 -17.017 1.594 1.00 22.23 H new ATOM 0 HE1 PHE A 56 -8.326 -13.065 -0.730 1.00 11.35 H new ATOM 0 HE2 PHE A 56 -11.709 -15.546 0.231 1.00 54.25 H new ATOM 0 HZ PHE A 56 -10.768 -13.512 -0.848 1.00 32.11 H new ATOM 913 N SER A 57 -4.737 -18.524 2.639 1.00 65.24 N ATOM 914 CA SER A 57 -3.953 -19.205 3.662 1.00 1.43 C ATOM 915 C SER A 57 -4.333 -18.677 5.045 1.00 43.35 C ATOM 916 O SER A 57 -4.511 -19.456 5.979 1.00 44.34 O ATOM 917 CB SER A 57 -2.454 -18.996 3.415 1.00 41.43 C ATOM 918 OG SER A 57 -2.107 -19.319 2.087 1.00 21.43 O ATOM 0 H SER A 57 -4.177 -17.953 2.006 1.00 65.24 H new ATOM 0 HA SER A 57 -4.168 -20.273 3.615 1.00 1.43 H new ATOM 0 HB2 SER A 57 -2.190 -17.959 3.621 1.00 41.43 H new ATOM 0 HB3 SER A 57 -1.879 -19.614 4.105 1.00 41.43 H new ATOM 0 HG SER A 57 -2.728 -19.994 1.742 1.00 21.43 H new ATOM 924 N LYS A 58 -4.451 -17.347 5.153 1.00 61.42 N ATOM 925 CA LYS A 58 -4.838 -16.632 6.360 1.00 74.25 C ATOM 926 C LYS A 58 -5.781 -15.482 5.996 1.00 33.23 C ATOM 927 O LYS A 58 -6.845 -15.350 6.597 1.00 11.22 O ATOM 928 CB LYS A 58 -3.583 -16.175 7.124 1.00 53.21 C ATOM 929 CG LYS A 58 -2.707 -15.174 6.350 1.00 5.55 C ATOM 930 CD LYS A 58 -1.356 -14.896 7.024 1.00 5.43 C ATOM 931 CE LYS A 58 -0.429 -16.116 7.125 1.00 12.31 C ATOM 932 NZ LYS A 58 -0.232 -16.782 5.825 1.00 2.13 N ATOM 0 H LYS A 58 -4.271 -16.722 4.367 1.00 61.42 H new ATOM 0 HA LYS A 58 -5.388 -17.289 7.034 1.00 74.25 H new ATOM 0 HB2 LYS A 58 -3.889 -15.721 8.066 1.00 53.21 H new ATOM 0 HB3 LYS A 58 -2.983 -17.050 7.373 1.00 53.21 H new ATOM 0 HG2 LYS A 58 -2.531 -15.558 5.345 1.00 5.55 H new ATOM 0 HG3 LYS A 58 -3.250 -14.235 6.242 1.00 5.55 H new ATOM 0 HD2 LYS A 58 -0.843 -14.111 6.469 1.00 5.43 H new ATOM 0 HD3 LYS A 58 -1.538 -14.510 8.027 1.00 5.43 H new ATOM 0 HE2 LYS A 58 0.538 -15.803 7.520 1.00 12.31 H new ATOM 0 HE3 LYS A 58 -0.847 -16.829 7.836 1.00 12.31 H new ATOM 0 HZ1 LYS A 58 0.478 -17.535 5.925 1.00 2.13 H new ATOM 0 HZ2 LYS A 58 -1.132 -17.195 5.507 1.00 2.13 H new ATOM 0 HZ3 LYS A 58 0.097 -16.087 5.125 1.00 2.13 H new ATOM 946 N ASP A 59 -5.393 -14.669 5.003 1.00 20.10 N ATOM 947 CA ASP A 59 -6.129 -13.506 4.530 1.00 51.41 C ATOM 948 C ASP A 59 -5.428 -12.950 3.290 1.00 72.32 C ATOM 949 O ASP A 59 -5.985 -12.998 2.196 1.00 73.44 O ATOM 950 CB ASP A 59 -6.236 -12.438 5.632 1.00 32.11 C ATOM 951 CG ASP A 59 -6.855 -11.149 5.096 1.00 11.20 C ATOM 952 OD1 ASP A 59 -6.082 -10.187 4.895 1.00 73.45 O ATOM 953 OD2 ASP A 59 -8.088 -11.152 4.887 1.00 0.24 O ATOM 0 H ASP A 59 -4.522 -14.816 4.493 1.00 20.10 H new ATOM 0 HA ASP A 59 -7.145 -13.800 4.268 1.00 51.41 H new ATOM 0 HB2 ASP A 59 -6.841 -12.820 6.454 1.00 32.11 H new ATOM 0 HB3 ASP A 59 -5.245 -12.228 6.036 1.00 32.11 H new ATOM 958 N GLY A 60 -4.214 -12.411 3.465 1.00 13.34 N ATOM 959 CA GLY A 60 -3.469 -11.739 2.410 1.00 73.21 C ATOM 960 C GLY A 60 -2.423 -12.657 1.782 1.00 61.12 C ATOM 961 O GLY A 60 -1.270 -12.255 1.637 1.00 25.25 O ATOM 0 H GLY A 60 -3.722 -12.434 4.358 1.00 13.34 H new ATOM 0 HA2 GLY A 60 -4.159 -11.394 1.640 1.00 73.21 H new ATOM 0 HA3 GLY A 60 -2.979 -10.855 2.818 1.00 73.21 H new ATOM 965 N SER A 61 -2.829 -13.876 1.396 1.00 34.42 N ATOM 966 CA SER A 61 -1.954 -14.879 0.801 1.00 75.25 C ATOM 967 C SER A 61 -2.798 -15.925 0.068 1.00 24.42 C ATOM 968 O SER A 61 -3.458 -16.735 0.714 1.00 71.42 O ATOM 969 CB SER A 61 -1.121 -15.567 1.894 1.00 54.24 C ATOM 970 OG SER A 61 -0.215 -14.683 2.518 1.00 64.25 O ATOM 0 H SER A 61 -3.794 -14.191 1.494 1.00 34.42 H new ATOM 0 HA SER A 61 -1.282 -14.391 0.095 1.00 75.25 H new ATOM 0 HB2 SER A 61 -1.789 -15.988 2.645 1.00 54.24 H new ATOM 0 HB3 SER A 61 -0.569 -16.399 1.457 1.00 54.24 H new ATOM 0 HG SER A 61 -0.365 -13.773 2.186 1.00 64.25 H new ATOM 976 N PHE A 62 -2.758 -15.930 -1.270 1.00 71.14 N ATOM 977 CA PHE A 62 -3.462 -16.904 -2.099 1.00 53.03 C ATOM 978 C PHE A 62 -2.549 -18.094 -2.409 1.00 14.23 C ATOM 979 O PHE A 62 -1.497 -17.899 -3.013 1.00 41.31 O ATOM 980 CB PHE A 62 -3.892 -16.238 -3.409 1.00 51.31 C ATOM 981 CG PHE A 62 -4.890 -15.108 -3.252 1.00 71.25 C ATOM 982 CD1 PHE A 62 -6.254 -15.401 -3.076 1.00 60.24 C ATOM 983 CD2 PHE A 62 -4.475 -13.771 -3.388 1.00 73.13 C ATOM 984 CE1 PHE A 62 -7.209 -14.374 -3.154 1.00 11.52 C ATOM 985 CE2 PHE A 62 -5.424 -12.736 -3.404 1.00 35.14 C ATOM 986 CZ PHE A 62 -6.794 -13.040 -3.319 1.00 53.54 C ATOM 0 H PHE A 62 -2.227 -15.247 -1.810 1.00 71.14 H new ATOM 0 HA PHE A 62 -4.339 -17.262 -1.560 1.00 53.03 H new ATOM 0 HB2 PHE A 62 -3.005 -15.853 -3.912 1.00 51.31 H new ATOM 0 HB3 PHE A 62 -4.324 -16.997 -4.061 1.00 51.31 H new ATOM 0 HD1 PHE A 62 -6.567 -16.416 -2.881 1.00 60.24 H new ATOM 0 HD2 PHE A 62 -3.424 -13.540 -3.480 1.00 73.13 H new ATOM 0 HE1 PHE A 62 -8.261 -14.608 -3.087 1.00 11.52 H new ATOM 0 HE2 PHE A 62 -5.102 -11.708 -3.481 1.00 35.14 H new ATOM 0 HZ PHE A 62 -7.528 -12.250 -3.380 1.00 53.54 H new ATOM 996 N TYR A 63 -2.944 -19.313 -2.006 1.00 24.10 N ATOM 997 CA TYR A 63 -2.161 -20.530 -2.221 1.00 21.42 C ATOM 998 C TYR A 63 -2.778 -21.431 -3.296 1.00 55.34 C ATOM 999 O TYR A 63 -3.807 -22.061 -3.057 1.00 54.44 O ATOM 1000 CB TYR A 63 -1.942 -21.271 -0.896 1.00 73.35 C ATOM 1001 CG TYR A 63 -3.149 -21.940 -0.255 1.00 11.44 C ATOM 1002 CD1 TYR A 63 -3.320 -23.334 -0.359 1.00 35.43 C ATOM 1003 CD2 TYR A 63 -4.095 -21.179 0.455 1.00 52.32 C ATOM 1004 CE1 TYR A 63 -4.418 -23.963 0.252 1.00 1.34 C ATOM 1005 CE2 TYR A 63 -5.173 -21.812 1.096 1.00 2.32 C ATOM 1006 CZ TYR A 63 -5.336 -23.204 0.996 1.00 60.51 C ATOM 1007 OH TYR A 63 -6.386 -23.821 1.614 1.00 11.01 O ATOM 0 H TYR A 63 -3.824 -19.477 -1.518 1.00 24.10 H new ATOM 0 HA TYR A 63 -1.183 -20.236 -2.601 1.00 21.42 H new ATOM 0 HB2 TYR A 63 -1.182 -22.035 -1.060 1.00 73.35 H new ATOM 0 HB3 TYR A 63 -1.531 -20.561 -0.178 1.00 73.35 H new ATOM 0 HD1 TYR A 63 -2.603 -23.923 -0.912 1.00 35.43 H new ATOM 0 HD2 TYR A 63 -3.992 -20.105 0.508 1.00 52.32 H new ATOM 0 HE1 TYR A 63 -4.556 -25.029 0.150 1.00 1.34 H new ATOM 0 HE2 TYR A 63 -5.878 -21.227 1.667 1.00 2.32 H new ATOM 0 HH TYR A 63 -6.925 -23.153 2.087 1.00 11.01 H new ATOM 1017 N LEU A 64 -2.155 -21.480 -4.482 1.00 41.04 N ATOM 1018 CA LEU A 64 -2.688 -22.209 -5.635 1.00 54.01 C ATOM 1019 C LEU A 64 -1.687 -23.280 -6.079 1.00 11.44 C ATOM 1020 O LEU A 64 -0.503 -22.984 -6.236 1.00 32.41 O ATOM 1021 CB LEU A 64 -2.981 -21.209 -6.767 1.00 54.44 C ATOM 1022 CG LEU A 64 -4.241 -21.531 -7.593 1.00 52.44 C ATOM 1023 CD1 LEU A 64 -4.431 -20.439 -8.651 1.00 20.44 C ATOM 1024 CD2 LEU A 64 -4.195 -22.899 -8.277 1.00 41.32 C ATOM 0 H LEU A 64 -1.267 -21.014 -4.666 1.00 41.04 H new ATOM 0 HA LEU A 64 -3.617 -22.713 -5.367 1.00 54.01 H new ATOM 0 HB2 LEU A 64 -3.089 -20.213 -6.336 1.00 54.44 H new ATOM 0 HB3 LEU A 64 -2.122 -21.175 -7.437 1.00 54.44 H new ATOM 0 HG LEU A 64 -5.079 -21.563 -6.897 1.00 52.44 H new ATOM 0 HD11 LEU A 64 -5.320 -20.656 -9.242 1.00 20.44 H new ATOM 0 HD12 LEU A 64 -4.549 -19.473 -8.160 1.00 20.44 H new ATOM 0 HD13 LEU A 64 -3.559 -20.410 -9.304 1.00 20.44 H new ATOM 0 HD21 LEU A 64 -5.115 -23.056 -8.840 1.00 41.32 H new ATOM 0 HD22 LEU A 64 -3.343 -22.938 -8.956 1.00 41.32 H new ATOM 0 HD23 LEU A 64 -4.093 -23.680 -7.523 1.00 41.32 H new ATOM 1036 N LEU A 65 -2.165 -24.513 -6.289 1.00 71.32 N ATOM 1037 CA LEU A 65 -1.406 -25.620 -6.860 1.00 1.04 C ATOM 1038 C LEU A 65 -1.839 -25.821 -8.316 1.00 42.24 C ATOM 1039 O LEU A 65 -3.030 -25.751 -8.607 1.00 4.11 O ATOM 1040 CB LEU A 65 -1.696 -26.878 -6.029 1.00 0.01 C ATOM 1041 CG LEU A 65 -0.922 -28.122 -6.489 1.00 71.31 C ATOM 1042 CD1 LEU A 65 0.579 -28.013 -6.214 1.00 53.11 C ATOM 1043 CD2 LEU A 65 -1.473 -29.357 -5.767 1.00 54.44 C ATOM 0 H LEU A 65 -3.124 -24.771 -6.056 1.00 71.32 H new ATOM 0 HA LEU A 65 -0.336 -25.413 -6.841 1.00 1.04 H new ATOM 0 HB2 LEU A 65 -1.452 -26.676 -4.986 1.00 0.01 H new ATOM 0 HB3 LEU A 65 -2.764 -27.091 -6.071 1.00 0.01 H new ATOM 0 HG LEU A 65 -1.056 -28.208 -7.567 1.00 71.31 H new ATOM 0 HD11 LEU A 65 1.079 -28.918 -6.558 1.00 53.11 H new ATOM 0 HD12 LEU A 65 0.984 -27.151 -6.744 1.00 53.11 H new ATOM 0 HD13 LEU A 65 0.745 -27.892 -5.144 1.00 53.11 H new ATOM 0 HD21 LEU A 65 -0.926 -30.242 -6.091 1.00 54.44 H new ATOM 0 HD22 LEU A 65 -1.356 -29.232 -4.691 1.00 54.44 H new ATOM 0 HD23 LEU A 65 -2.530 -29.476 -6.005 1.00 54.44 H new ATOM 1055 N TYR A 66 -0.883 -26.092 -9.215 1.00 0.12 N ATOM 1056 CA TYR A 66 -1.132 -26.461 -10.606 1.00 20.32 C ATOM 1057 C TYR A 66 -0.508 -27.837 -10.855 1.00 41.25 C ATOM 1058 O TYR A 66 0.700 -27.935 -11.071 1.00 31.20 O ATOM 1059 CB TYR A 66 -0.544 -25.398 -11.538 1.00 64.31 C ATOM 1060 CG TYR A 66 -1.298 -24.084 -11.537 1.00 71.23 C ATOM 1061 CD1 TYR A 66 -0.872 -23.012 -10.732 1.00 52.34 C ATOM 1062 CD2 TYR A 66 -2.416 -23.927 -12.376 1.00 52.32 C ATOM 1063 CE1 TYR A 66 -1.549 -21.779 -10.791 1.00 0.25 C ATOM 1064 CE2 TYR A 66 -3.083 -22.694 -12.443 1.00 61.45 C ATOM 1065 CZ TYR A 66 -2.635 -21.612 -11.666 1.00 43.55 C ATOM 1066 OH TYR A 66 -3.252 -20.399 -11.764 1.00 12.05 O ATOM 0 H TYR A 66 0.110 -26.058 -8.984 1.00 0.12 H new ATOM 0 HA TYR A 66 -2.202 -26.515 -10.807 1.00 20.32 H new ATOM 0 HB2 TYR A 66 0.490 -25.210 -11.250 1.00 64.31 H new ATOM 0 HB3 TYR A 66 -0.525 -25.792 -12.554 1.00 64.31 H new ATOM 0 HD1 TYR A 66 -0.027 -23.135 -10.070 1.00 52.34 H new ATOM 0 HD2 TYR A 66 -2.763 -24.759 -12.971 1.00 52.32 H new ATOM 0 HE1 TYR A 66 -1.233 -20.960 -10.162 1.00 0.25 H new ATOM 0 HE2 TYR A 66 -3.939 -22.577 -13.091 1.00 61.45 H new ATOM 0 HH TYR A 66 -3.983 -20.455 -12.415 1.00 12.05 H new ATOM 1076 N TYR A 67 -1.335 -28.890 -10.767 1.00 4.42 N ATOM 1077 CA TYR A 67 -0.876 -30.263 -10.618 1.00 64.31 C ATOM 1078 C TYR A 67 -1.133 -31.117 -11.859 1.00 34.15 C ATOM 1079 O TYR A 67 -2.009 -31.978 -11.856 1.00 23.13 O ATOM 1080 CB TYR A 67 -1.433 -30.905 -9.342 1.00 1.40 C ATOM 1081 CG TYR A 67 -2.942 -30.894 -9.153 1.00 24.23 C ATOM 1082 CD1 TYR A 67 -3.698 -32.071 -9.320 1.00 14.42 C ATOM 1083 CD2 TYR A 67 -3.570 -29.739 -8.652 1.00 20.24 C ATOM 1084 CE1 TYR A 67 -5.088 -32.055 -9.108 1.00 32.34 C ATOM 1085 CE2 TYR A 67 -4.939 -29.753 -8.349 1.00 40.31 C ATOM 1086 CZ TYR A 67 -5.716 -30.882 -8.654 1.00 51.44 C ATOM 1087 OH TYR A 67 -7.072 -30.828 -8.505 1.00 61.43 O ATOM 0 H TYR A 67 -2.351 -28.802 -10.799 1.00 4.42 H new ATOM 0 HA TYR A 67 0.208 -30.219 -10.513 1.00 64.31 H new ATOM 0 HB2 TYR A 67 -1.098 -31.942 -9.313 1.00 1.40 H new ATOM 0 HB3 TYR A 67 -0.983 -30.400 -8.487 1.00 1.40 H new ATOM 0 HD1 TYR A 67 -3.208 -32.988 -9.612 1.00 14.42 H new ATOM 0 HD2 TYR A 67 -2.995 -28.837 -8.500 1.00 20.24 H new ATOM 0 HE1 TYR A 67 -5.673 -32.944 -9.294 1.00 32.34 H new ATOM 0 HE2 TYR A 67 -5.396 -28.894 -7.880 1.00 40.31 H new ATOM 0 HH TYR A 67 -7.330 -29.940 -8.181 1.00 61.43 H new ATOM 1097 N THR A 68 -0.345 -30.905 -12.916 1.00 52.35 N ATOM 1098 CA THR A 68 -0.496 -31.648 -14.162 1.00 4.01 C ATOM 1099 C THR A 68 0.234 -32.993 -14.083 1.00 53.12 C ATOM 1100 O THR A 68 1.318 -33.079 -13.509 1.00 43.02 O ATOM 1101 CB THR A 68 -0.036 -30.805 -15.359 1.00 32.24 C ATOM 1102 OG1 THR A 68 -0.514 -31.405 -16.545 1.00 33.15 O ATOM 1103 CG2 THR A 68 1.487 -30.648 -15.440 1.00 4.20 C ATOM 0 H THR A 68 0.409 -30.218 -12.929 1.00 52.35 H new ATOM 0 HA THR A 68 -1.553 -31.866 -14.313 1.00 4.01 H new ATOM 0 HB THR A 68 -0.444 -29.803 -15.230 1.00 32.24 H new ATOM 0 HG1 THR A 68 -1.475 -31.233 -16.634 1.00 33.15 H new ATOM 0 HG21 THR A 68 1.745 -30.042 -16.308 1.00 4.20 H new ATOM 0 HG22 THR A 68 1.851 -30.160 -14.536 1.00 4.20 H new ATOM 0 HG23 THR A 68 1.950 -31.631 -15.534 1.00 4.20 H new ATOM 1111 N GLU A 69 -0.372 -34.034 -14.668 1.00 24.43 N ATOM 1112 CA GLU A 69 0.158 -35.388 -14.695 1.00 72.12 C ATOM 1113 C GLU A 69 0.999 -35.586 -15.959 1.00 33.12 C ATOM 1114 O GLU A 69 0.457 -35.841 -17.034 1.00 24.41 O ATOM 1115 CB GLU A 69 -1.001 -36.386 -14.589 1.00 3.40 C ATOM 1116 CG GLU A 69 -0.471 -37.822 -14.559 1.00 44.54 C ATOM 1117 CD GLU A 69 -1.540 -38.855 -14.212 1.00 74.41 C ATOM 1118 OE1 GLU A 69 -2.733 -38.557 -14.438 1.00 22.15 O ATOM 1119 OE2 GLU A 69 -1.140 -39.937 -13.728 1.00 33.23 O ATOM 0 H GLU A 69 -1.269 -33.947 -15.146 1.00 24.43 H new ATOM 0 HA GLU A 69 0.817 -35.562 -13.844 1.00 72.12 H new ATOM 0 HB2 GLU A 69 -1.579 -36.187 -13.687 1.00 3.40 H new ATOM 0 HB3 GLU A 69 -1.677 -36.259 -15.435 1.00 3.40 H new ATOM 0 HG2 GLU A 69 -0.044 -38.064 -15.532 1.00 44.54 H new ATOM 0 HG3 GLU A 69 0.338 -37.888 -13.831 1.00 44.54 H new ATOM 1126 N PHE A 70 2.326 -35.461 -15.823 1.00 13.31 N ATOM 1127 CA PHE A 70 3.280 -35.592 -16.917 1.00 54.43 C ATOM 1128 C PHE A 70 3.809 -37.024 -17.041 1.00 53.44 C ATOM 1129 O PHE A 70 3.905 -37.738 -16.045 1.00 40.03 O ATOM 1130 CB PHE A 70 4.442 -34.613 -16.719 1.00 41.42 C ATOM 1131 CG PHE A 70 5.395 -34.923 -15.577 1.00 2.13 C ATOM 1132 CD1 PHE A 70 6.563 -35.676 -15.804 1.00 73.22 C ATOM 1133 CD2 PHE A 70 5.159 -34.389 -14.301 1.00 72.54 C ATOM 1134 CE1 PHE A 70 7.524 -35.818 -14.786 1.00 71.52 C ATOM 1135 CE2 PHE A 70 6.111 -34.546 -13.279 1.00 13.11 C ATOM 1136 CZ PHE A 70 7.299 -35.248 -13.525 1.00 2.30 C ATOM 0 H PHE A 70 2.770 -35.261 -14.926 1.00 13.31 H new ATOM 0 HA PHE A 70 2.759 -35.353 -17.844 1.00 54.43 H new ATOM 0 HB2 PHE A 70 5.017 -34.573 -17.644 1.00 41.42 H new ATOM 0 HB3 PHE A 70 4.028 -33.618 -16.558 1.00 41.42 H new ATOM 0 HD1 PHE A 70 6.722 -36.146 -16.763 1.00 73.22 H new ATOM 0 HD2 PHE A 70 4.241 -33.855 -14.103 1.00 72.54 H new ATOM 0 HE1 PHE A 70 8.435 -36.366 -14.976 1.00 71.52 H new ATOM 0 HE2 PHE A 70 5.927 -34.125 -12.302 1.00 13.11 H new ATOM 0 HZ PHE A 70 8.039 -35.350 -12.745 1.00 2.30 H new ATOM 1146 N THR A 71 4.171 -37.420 -18.269 1.00 72.42 N ATOM 1147 CA THR A 71 4.747 -38.723 -18.586 1.00 2.53 C ATOM 1148 C THR A 71 6.230 -38.548 -18.956 1.00 60.13 C ATOM 1149 O THR A 71 6.516 -38.190 -20.098 1.00 2.10 O ATOM 1150 CB THR A 71 3.950 -39.349 -19.745 1.00 25.11 C ATOM 1151 OG1 THR A 71 2.584 -39.438 -19.391 1.00 53.14 O ATOM 1152 CG2 THR A 71 4.449 -40.762 -20.071 1.00 43.04 C ATOM 0 H THR A 71 4.066 -36.822 -19.088 1.00 72.42 H new ATOM 0 HA THR A 71 4.690 -39.389 -17.725 1.00 2.53 H new ATOM 0 HB THR A 71 4.086 -38.711 -20.618 1.00 25.11 H new ATOM 0 HG1 THR A 71 2.079 -39.835 -20.131 1.00 53.14 H new ATOM 0 HG21 THR A 71 3.864 -41.174 -20.894 1.00 43.04 H new ATOM 0 HG22 THR A 71 5.500 -40.720 -20.358 1.00 43.04 H new ATOM 0 HG23 THR A 71 4.338 -41.399 -19.193 1.00 43.04 H new ATOM 1160 N PRO A 72 7.181 -38.788 -18.034 1.00 51.15 N ATOM 1161 CA PRO A 72 8.604 -38.673 -18.309 1.00 51.02 C ATOM 1162 C PRO A 72 9.074 -39.877 -19.122 1.00 44.23 C ATOM 1163 O PRO A 72 9.263 -40.955 -18.566 1.00 40.51 O ATOM 1164 CB PRO A 72 9.283 -38.609 -16.940 1.00 4.51 C ATOM 1165 CG PRO A 72 8.337 -39.380 -16.020 1.00 20.55 C ATOM 1166 CD PRO A 72 6.956 -39.207 -16.661 1.00 42.04 C ATOM 0 HA PRO A 72 8.847 -37.789 -18.899 1.00 51.02 H new ATOM 0 HB2 PRO A 72 10.274 -39.063 -16.964 1.00 4.51 H new ATOM 0 HB3 PRO A 72 9.412 -37.579 -16.607 1.00 4.51 H new ATOM 0 HG2 PRO A 72 8.616 -40.432 -15.955 1.00 20.55 H new ATOM 0 HG3 PRO A 72 8.357 -38.982 -15.006 1.00 20.55 H new ATOM 0 HD2 PRO A 72 6.395 -40.141 -16.629 1.00 42.04 H new ATOM 0 HD3 PRO A 72 6.369 -38.464 -16.121 1.00 42.04 H new ATOM 1174 N THR A 73 9.276 -39.686 -20.431 1.00 53.23 N ATOM 1175 CA THR A 73 9.848 -40.701 -21.305 1.00 64.32 C ATOM 1176 C THR A 73 11.286 -40.969 -20.856 1.00 41.02 C ATOM 1177 O THR A 73 11.591 -42.074 -20.410 1.00 20.33 O ATOM 1178 CB THR A 73 9.767 -40.239 -22.769 1.00 0.02 C ATOM 1179 OG1 THR A 73 8.434 -39.894 -23.087 1.00 73.32 O ATOM 1180 CG2 THR A 73 10.237 -41.336 -23.729 1.00 14.53 C ATOM 0 H THR A 73 9.044 -38.816 -20.910 1.00 53.23 H new ATOM 0 HA THR A 73 9.287 -41.633 -21.238 1.00 64.32 H new ATOM 0 HB THR A 73 10.421 -39.374 -22.882 1.00 0.02 H new ATOM 0 HG1 THR A 73 8.386 -39.598 -24.020 1.00 73.32 H new ATOM 0 HG21 THR A 73 10.167 -40.976 -24.755 1.00 14.53 H new ATOM 0 HG22 THR A 73 11.272 -41.596 -23.506 1.00 14.53 H new ATOM 0 HG23 THR A 73 9.608 -42.218 -23.610 1.00 14.53 H new ATOM 1188 N GLU A 74 12.140 -39.939 -20.933 1.00 61.41 N ATOM 1189 CA GLU A 74 13.470 -39.941 -20.348 1.00 72.31 C ATOM 1190 C GLU A 74 13.984 -38.509 -20.204 1.00 1.15 C ATOM 1191 O GLU A 74 13.990 -37.967 -19.100 1.00 24.15 O ATOM 1192 CB GLU A 74 14.428 -40.851 -21.141 1.00 2.11 C ATOM 1193 CG GLU A 74 15.776 -41.017 -20.425 1.00 40.11 C ATOM 1194 CD GLU A 74 16.745 -41.860 -21.250 1.00 24.13 C ATOM 1195 OE1 GLU A 74 16.538 -43.093 -21.286 1.00 13.22 O ATOM 1196 OE2 GLU A 74 17.674 -41.258 -21.834 1.00 14.20 O ATOM 0 H GLU A 74 11.913 -39.069 -21.415 1.00 61.41 H new ATOM 0 HA GLU A 74 13.418 -40.365 -19.345 1.00 72.31 H new ATOM 0 HB2 GLU A 74 13.968 -41.829 -21.282 1.00 2.11 H new ATOM 0 HB3 GLU A 74 14.592 -40.430 -22.133 1.00 2.11 H new ATOM 0 HG2 GLU A 74 16.213 -40.036 -20.238 1.00 40.11 H new ATOM 0 HG3 GLU A 74 15.619 -41.487 -19.454 1.00 40.11 H new ATOM 1203 N LYS A 75 14.434 -37.906 -21.310 1.00 31.25 N ATOM 1204 CA LYS A 75 15.145 -36.635 -21.311 1.00 15.50 C ATOM 1205 C LYS A 75 14.160 -35.479 -21.515 1.00 23.33 C ATOM 1206 O LYS A 75 14.362 -34.624 -22.376 1.00 41.22 O ATOM 1207 CB LYS A 75 16.236 -36.673 -22.393 1.00 20.53 C ATOM 1208 CG LYS A 75 17.199 -37.851 -22.173 1.00 72.34 C ATOM 1209 CD LYS A 75 18.309 -37.912 -23.227 1.00 23.50 C ATOM 1210 CE LYS A 75 19.340 -36.792 -23.053 1.00 4.30 C ATOM 1211 NZ LYS A 75 20.444 -36.932 -24.017 1.00 15.13 N ATOM 0 H LYS A 75 14.309 -38.299 -22.243 1.00 31.25 H new ATOM 0 HA LYS A 75 15.630 -36.470 -20.349 1.00 15.50 H new ATOM 0 HB2 LYS A 75 15.773 -36.757 -23.376 1.00 20.53 H new ATOM 0 HB3 LYS A 75 16.794 -35.737 -22.383 1.00 20.53 H new ATOM 0 HG2 LYS A 75 17.648 -37.768 -21.183 1.00 72.34 H new ATOM 0 HG3 LYS A 75 16.635 -38.784 -22.190 1.00 72.34 H new ATOM 0 HD2 LYS A 75 18.811 -38.877 -23.167 1.00 23.50 H new ATOM 0 HD3 LYS A 75 17.867 -37.844 -24.221 1.00 23.50 H new ATOM 0 HE2 LYS A 75 18.856 -35.824 -23.188 1.00 4.30 H new ATOM 0 HE3 LYS A 75 19.735 -36.812 -22.037 1.00 4.30 H new ATOM 0 HZ1 LYS A 75 21.127 -36.161 -23.877 1.00 15.13 H new ATOM 0 HZ2 LYS A 75 20.919 -37.846 -23.871 1.00 15.13 H new ATOM 0 HZ3 LYS A 75 20.067 -36.889 -24.985 1.00 15.13 H new ATOM 1225 N ASP A 76 13.088 -35.470 -20.714 1.00 43.01 N ATOM 1226 CA ASP A 76 12.000 -34.509 -20.804 1.00 44.14 C ATOM 1227 C ASP A 76 12.280 -33.326 -19.875 1.00 21.41 C ATOM 1228 O ASP A 76 12.573 -33.526 -18.696 1.00 34.14 O ATOM 1229 CB ASP A 76 10.687 -35.187 -20.403 1.00 60.24 C ATOM 1230 CG ASP A 76 10.247 -36.284 -21.368 1.00 32.40 C ATOM 1231 OD1 ASP A 76 9.225 -36.064 -22.054 1.00 13.41 O ATOM 1232 OD2 ASP A 76 10.924 -37.334 -21.386 1.00 34.31 O ATOM 0 H ASP A 76 12.957 -36.153 -19.967 1.00 43.01 H new ATOM 0 HA ASP A 76 11.919 -34.145 -21.828 1.00 44.14 H new ATOM 0 HB2 ASP A 76 10.798 -35.614 -19.406 1.00 60.24 H new ATOM 0 HB3 ASP A 76 9.902 -34.433 -20.341 1.00 60.24 H new ATOM 1237 N GLU A 77 12.170 -32.102 -20.407 1.00 60.21 N ATOM 1238 CA GLU A 77 12.354 -30.856 -19.679 1.00 11.23 C ATOM 1239 C GLU A 77 10.996 -30.212 -19.379 1.00 15.21 C ATOM 1240 O GLU A 77 10.402 -29.544 -20.224 1.00 63.51 O ATOM 1241 CB GLU A 77 13.337 -29.915 -20.403 1.00 4.20 C ATOM 1242 CG GLU A 77 13.075 -29.623 -21.891 1.00 63.23 C ATOM 1243 CD GLU A 77 13.364 -30.815 -22.801 1.00 41.33 C ATOM 1244 OE1 GLU A 77 14.563 -31.138 -22.951 1.00 32.24 O ATOM 1245 OE2 GLU A 77 12.382 -31.382 -23.327 1.00 34.32 O ATOM 0 H GLU A 77 11.942 -31.955 -21.390 1.00 60.21 H new ATOM 0 HA GLU A 77 12.819 -31.072 -18.717 1.00 11.23 H new ATOM 0 HB2 GLU A 77 13.347 -28.964 -19.870 1.00 4.20 H new ATOM 0 HB3 GLU A 77 14.337 -30.340 -20.315 1.00 4.20 H new ATOM 0 HG2 GLU A 77 12.035 -29.322 -22.017 1.00 63.23 H new ATOM 0 HG3 GLU A 77 13.691 -28.779 -22.202 1.00 63.23 H new ATOM 1252 N TYR A 78 10.517 -30.415 -18.147 1.00 31.12 N ATOM 1253 CA TYR A 78 9.288 -29.831 -17.627 1.00 51.41 C ATOM 1254 C TYR A 78 9.586 -28.461 -17.028 1.00 15.40 C ATOM 1255 O TYR A 78 10.627 -28.282 -16.395 1.00 1.42 O ATOM 1256 CB TYR A 78 8.699 -30.770 -16.570 1.00 4.32 C ATOM 1257 CG TYR A 78 8.331 -32.120 -17.146 1.00 13.14 C ATOM 1258 CD1 TYR A 78 7.232 -32.221 -18.018 1.00 40.42 C ATOM 1259 CD2 TYR A 78 9.198 -33.214 -16.987 1.00 60.31 C ATOM 1260 CE1 TYR A 78 7.027 -33.399 -18.750 1.00 41.42 C ATOM 1261 CE2 TYR A 78 8.950 -34.415 -17.667 1.00 25.13 C ATOM 1262 CZ TYR A 78 7.884 -34.495 -18.577 1.00 43.34 C ATOM 1263 OH TYR A 78 7.669 -35.634 -19.291 1.00 11.24 O ATOM 0 H TYR A 78 10.993 -31.009 -17.468 1.00 31.12 H new ATOM 0 HA TYR A 78 8.563 -29.703 -18.431 1.00 51.41 H new ATOM 0 HB2 TYR A 78 9.420 -30.905 -15.764 1.00 4.32 H new ATOM 0 HB3 TYR A 78 7.813 -30.310 -16.131 1.00 4.32 H new ATOM 0 HD1 TYR A 78 6.547 -31.393 -18.123 1.00 40.42 H new ATOM 0 HD2 TYR A 78 10.058 -33.130 -16.339 1.00 60.31 H new ATOM 0 HE1 TYR A 78 6.206 -33.462 -19.449 1.00 41.42 H new ATOM 0 HE2 TYR A 78 9.577 -35.276 -17.491 1.00 25.13 H new ATOM 0 HH TYR A 78 7.879 -35.473 -20.235 1.00 11.24 H new ATOM 1273 N ALA A 79 8.684 -27.494 -17.240 1.00 55.13 N ATOM 1274 CA ALA A 79 8.904 -26.126 -16.805 1.00 72.52 C ATOM 1275 C ALA A 79 7.589 -25.389 -16.562 1.00 15.44 C ATOM 1276 O ALA A 79 6.755 -25.287 -17.461 1.00 40.05 O ATOM 1277 CB ALA A 79 9.746 -25.389 -17.848 1.00 43.13 C ATOM 0 H ALA A 79 7.793 -27.644 -17.714 1.00 55.13 H new ATOM 0 HA ALA A 79 9.438 -26.152 -15.855 1.00 72.52 H new ATOM 0 HB1 ALA A 79 9.912 -24.362 -17.522 1.00 43.13 H new ATOM 0 HB2 ALA A 79 10.706 -25.893 -17.963 1.00 43.13 H new ATOM 0 HB3 ALA A 79 9.221 -25.386 -18.803 1.00 43.13 H new ATOM 1283 N CYS A 80 7.438 -24.847 -15.347 1.00 43.44 N ATOM 1284 CA CYS A 80 6.311 -24.018 -14.950 1.00 31.22 C ATOM 1285 C CYS A 80 6.652 -22.548 -15.232 1.00 73.45 C ATOM 1286 O CYS A 80 7.614 -22.022 -14.674 1.00 45.32 O ATOM 1287 CB CYS A 80 5.994 -24.279 -13.472 1.00 54.41 C ATOM 1288 SG CYS A 80 4.397 -23.623 -12.931 1.00 2.11 S ATOM 0 H CYS A 80 8.118 -24.981 -14.599 1.00 43.44 H new ATOM 0 HA CYS A 80 5.417 -24.264 -15.523 1.00 31.22 H new ATOM 0 HB2 CYS A 80 6.013 -25.354 -13.292 1.00 54.41 H new ATOM 0 HB3 CYS A 80 6.781 -23.839 -12.860 1.00 54.41 H new ATOM 1293 N ARG A 81 5.888 -21.905 -16.127 1.00 13.52 N ATOM 1294 CA ARG A 81 6.134 -20.560 -16.630 1.00 31.24 C ATOM 1295 C ARG A 81 5.266 -19.597 -15.829 1.00 0.11 C ATOM 1296 O ARG A 81 4.087 -19.423 -16.135 1.00 32.43 O ATOM 1297 CB ARG A 81 5.814 -20.524 -18.132 1.00 21.25 C ATOM 1298 CG ARG A 81 5.968 -19.119 -18.731 1.00 12.23 C ATOM 1299 CD ARG A 81 6.087 -19.164 -20.259 1.00 12.34 C ATOM 1300 NE ARG A 81 4.920 -19.792 -20.896 1.00 34.21 N ATOM 1301 CZ ARG A 81 4.643 -19.729 -22.210 1.00 32.20 C ATOM 1302 NH1 ARG A 81 5.468 -19.106 -23.065 1.00 44.24 N ATOM 1303 NH2 ARG A 81 3.525 -20.297 -22.678 1.00 21.12 N ATOM 0 H ARG A 81 5.053 -22.329 -16.531 1.00 13.52 H new ATOM 0 HA ARG A 81 7.177 -20.265 -16.512 1.00 31.24 H new ATOM 0 HB2 ARG A 81 6.474 -21.214 -18.658 1.00 21.25 H new ATOM 0 HB3 ARG A 81 4.794 -20.874 -18.292 1.00 21.25 H new ATOM 0 HG2 ARG A 81 5.110 -18.508 -18.451 1.00 12.23 H new ATOM 0 HG3 ARG A 81 6.852 -18.639 -18.311 1.00 12.23 H new ATOM 0 HD2 ARG A 81 6.204 -18.150 -20.641 1.00 12.34 H new ATOM 0 HD3 ARG A 81 6.987 -19.714 -20.534 1.00 12.34 H new ATOM 0 HE ARG A 81 4.276 -20.311 -20.300 1.00 34.21 H new ATOM 0 HH11 ARG A 81 6.323 -18.669 -22.722 1.00 44.24 H new ATOM 0 HH12 ARG A 81 5.240 -19.069 -24.058 1.00 44.24 H new ATOM 0 HH21 ARG A 81 2.889 -20.774 -22.039 1.00 21.12 H new ATOM 0 HH22 ARG A 81 3.309 -20.253 -23.674 1.00 21.12 H new ATOM 1317 N VAL A 82 5.846 -19.012 -14.777 1.00 24.11 N ATOM 1318 CA VAL A 82 5.103 -18.281 -13.767 1.00 52.04 C ATOM 1319 C VAL A 82 5.169 -16.785 -14.079 1.00 60.42 C ATOM 1320 O VAL A 82 5.997 -16.064 -13.524 1.00 31.14 O ATOM 1321 CB VAL A 82 5.634 -18.651 -12.368 1.00 54.25 C ATOM 1322 CG1 VAL A 82 4.771 -18.005 -11.280 1.00 22.25 C ATOM 1323 CG2 VAL A 82 5.595 -20.169 -12.144 1.00 3.43 C ATOM 0 H VAL A 82 6.852 -19.037 -14.608 1.00 24.11 H new ATOM 0 HA VAL A 82 4.048 -18.556 -13.776 1.00 52.04 H new ATOM 0 HB VAL A 82 6.661 -18.291 -12.312 1.00 54.25 H new ATOM 0 HG11 VAL A 82 5.160 -18.276 -10.298 1.00 22.25 H new ATOM 0 HG12 VAL A 82 4.795 -16.921 -11.393 1.00 22.25 H new ATOM 0 HG13 VAL A 82 3.744 -18.357 -11.374 1.00 22.25 H new ATOM 0 HG21 VAL A 82 5.975 -20.400 -11.149 1.00 3.43 H new ATOM 0 HG22 VAL A 82 4.568 -20.523 -12.231 1.00 3.43 H new ATOM 0 HG23 VAL A 82 6.214 -20.663 -12.893 1.00 3.43 H new ATOM 1333 N ASN A 83 4.270 -16.319 -14.956 1.00 42.41 N ATOM 1334 CA ASN A 83 4.045 -14.900 -15.196 1.00 34.15 C ATOM 1335 C ASN A 83 3.050 -14.370 -14.161 1.00 53.34 C ATOM 1336 O ASN A 83 2.276 -15.130 -13.583 1.00 64.14 O ATOM 1337 CB ASN A 83 3.533 -14.668 -16.626 1.00 64.33 C ATOM 1338 CG ASN A 83 4.656 -14.556 -17.650 1.00 24.42 C ATOM 1339 OD1 ASN A 83 4.855 -15.457 -18.463 1.00 53.33 O ATOM 1340 ND2 ASN A 83 5.374 -13.431 -17.628 1.00 72.24 N ATOM 0 H ASN A 83 3.677 -16.927 -15.520 1.00 42.41 H new ATOM 0 HA ASN A 83 4.986 -14.359 -15.094 1.00 34.15 H new ATOM 0 HB2 ASN A 83 2.873 -15.489 -16.907 1.00 64.33 H new ATOM 0 HB3 ASN A 83 2.936 -13.756 -16.649 1.00 64.33 H new ATOM 0 HD21 ASN A 83 6.124 -13.292 -18.305 1.00 72.24 H new ATOM 0 HD22 ASN A 83 5.172 -12.711 -16.934 1.00 72.24 H new ATOM 1347 N HIS A 84 3.100 -13.056 -13.921 1.00 0.00 N ATOM 1348 CA HIS A 84 2.307 -12.336 -12.931 1.00 0.00 C ATOM 1349 C HIS A 84 2.344 -10.853 -13.315 1.00 0.00 C ATOM 1350 O HIS A 84 3.081 -10.475 -14.225 1.00 0.00 O ATOM 1351 CB HIS A 84 2.904 -12.595 -11.537 1.00 0.00 C ATOM 1352 CG HIS A 84 2.158 -11.990 -10.372 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.810 -11.175 -9.449 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.850 -12.130 -9.986 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.881 -10.865 -8.544 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.689 -11.417 -8.816 1.00 0.00 N ATOM 0 H HIS A 84 3.726 -12.440 -14.439 1.00 0.00 H new ATOM 0 HA HIS A 84 1.269 -12.668 -12.906 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.963 -13.673 -11.384 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.925 -12.215 -11.525 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.087 -12.694 -10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.068 -10.238 -7.685 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.166 -11.327 -8.267 1.00 0.00 H new ATOM 1364 N VAL A 85 1.560 -9.999 -12.643 1.00 73.31 N ATOM 1365 CA VAL A 85 1.559 -8.570 -12.941 1.00 51.42 C ATOM 1366 C VAL A 85 2.943 -7.960 -12.674 1.00 34.20 C ATOM 1367 O VAL A 85 3.407 -7.130 -13.454 1.00 60.34 O ATOM 1368 CB VAL A 85 0.417 -7.852 -12.199 1.00 2.03 C ATOM 1369 CG1 VAL A 85 0.771 -7.494 -10.751 1.00 25.21 C ATOM 1370 CG2 VAL A 85 0.013 -6.579 -12.952 1.00 75.33 C ATOM 0 H VAL A 85 0.924 -10.275 -11.895 1.00 73.31 H new ATOM 0 HA VAL A 85 1.361 -8.427 -14.003 1.00 51.42 H new ATOM 0 HB VAL A 85 -0.416 -8.554 -12.165 1.00 2.03 H new ATOM 0 HG11 VAL A 85 -0.075 -6.990 -10.283 1.00 25.21 H new ATOM 0 HG12 VAL A 85 1.003 -8.404 -10.197 1.00 25.21 H new ATOM 0 HG13 VAL A 85 1.637 -6.833 -10.741 1.00 25.21 H new ATOM 0 HG21 VAL A 85 -0.795 -6.081 -12.417 1.00 75.33 H new ATOM 0 HG22 VAL A 85 0.870 -5.909 -13.020 1.00 75.33 H new ATOM 0 HG23 VAL A 85 -0.323 -6.841 -13.955 1.00 75.33 H new ATOM 1380 N THR A 86 3.615 -8.404 -11.599 1.00 32.53 N ATOM 1381 CA THR A 86 4.984 -8.015 -11.290 1.00 1.32 C ATOM 1382 C THR A 86 5.958 -8.742 -12.221 1.00 4.42 C ATOM 1383 O THR A 86 6.835 -8.106 -12.803 1.00 40.03 O ATOM 1384 CB THR A 86 5.315 -8.282 -9.813 1.00 60.24 C ATOM 1385 OG1 THR A 86 5.245 -9.660 -9.515 1.00 71.51 O ATOM 1386 CG2 THR A 86 4.386 -7.513 -8.868 1.00 72.32 C ATOM 0 H THR A 86 3.212 -9.049 -10.919 1.00 32.53 H new ATOM 0 HA THR A 86 5.088 -6.943 -11.455 1.00 1.32 H new ATOM 0 HB THR A 86 6.335 -7.930 -9.657 1.00 60.24 H new ATOM 0 HG1 THR A 86 4.307 -9.928 -9.426 1.00 71.51 H new ATOM 0 HG21 THR A 86 4.656 -7.732 -7.835 1.00 72.32 H new ATOM 0 HG22 THR A 86 4.486 -6.443 -9.051 1.00 72.32 H new ATOM 0 HG23 THR A 86 3.354 -7.817 -9.045 1.00 72.32 H new ATOM 1394 N LEU A 87 5.800 -10.067 -12.366 1.00 54.41 N ATOM 1395 CA LEU A 87 6.627 -10.886 -13.243 1.00 23.20 C ATOM 1396 C LEU A 87 6.112 -10.764 -14.676 1.00 3.10 C ATOM 1397 O LEU A 87 5.563 -11.711 -15.238 1.00 4.03 O ATOM 1398 CB LEU A 87 6.649 -12.355 -12.794 1.00 12.20 C ATOM 1399 CG LEU A 87 7.035 -12.570 -11.323 1.00 74.33 C ATOM 1400 CD1 LEU A 87 6.744 -14.022 -10.932 1.00 3.33 C ATOM 1401 CD2 LEU A 87 8.517 -12.262 -11.081 1.00 61.33 C ATOM 0 H LEU A 87 5.085 -10.598 -11.869 1.00 54.41 H new ATOM 0 HA LEU A 87 7.654 -10.523 -13.192 1.00 23.20 H new ATOM 0 HB2 LEU A 87 5.663 -12.788 -12.964 1.00 12.20 H new ATOM 0 HB3 LEU A 87 7.350 -12.903 -13.423 1.00 12.20 H new ATOM 0 HG LEU A 87 6.445 -11.888 -10.711 1.00 74.33 H new ATOM 0 HD11 LEU A 87 7.017 -14.179 -9.888 1.00 3.33 H new ATOM 0 HD12 LEU A 87 5.682 -14.229 -11.065 1.00 3.33 H new ATOM 0 HD13 LEU A 87 7.326 -14.693 -11.564 1.00 3.33 H new ATOM 0 HD21 LEU A 87 8.756 -12.425 -10.030 1.00 61.33 H new ATOM 0 HD22 LEU A 87 9.131 -12.918 -11.698 1.00 61.33 H new ATOM 0 HD23 LEU A 87 8.720 -11.224 -11.343 1.00 61.33 H new ATOM 1413 N SER A 88 6.332 -9.590 -15.273 1.00 52.32 N ATOM 1414 CA SER A 88 6.136 -9.357 -16.695 1.00 44.02 C ATOM 1415 C SER A 88 7.009 -10.308 -17.522 1.00 11.34 C ATOM 1416 O SER A 88 6.647 -10.652 -18.646 1.00 12.54 O ATOM 1417 CB SER A 88 6.479 -7.898 -17.012 1.00 1.11 C ATOM 1418 OG SER A 88 5.675 -7.032 -16.241 1.00 21.40 O ATOM 0 H SER A 88 6.656 -8.765 -14.768 1.00 52.32 H new ATOM 0 HA SER A 88 5.095 -9.550 -16.955 1.00 44.02 H new ATOM 0 HB2 SER A 88 7.532 -7.710 -16.804 1.00 1.11 H new ATOM 0 HB3 SER A 88 6.324 -7.702 -18.073 1.00 1.11 H new ATOM 0 HG SER A 88 5.903 -6.102 -16.449 1.00 21.40 H new ATOM 1424 N GLN A 89 8.145 -10.741 -16.955 1.00 64.52 N ATOM 1425 CA GLN A 89 9.055 -11.684 -17.583 1.00 21.23 C ATOM 1426 C GLN A 89 8.557 -13.109 -17.318 1.00 4.33 C ATOM 1427 O GLN A 89 8.077 -13.385 -16.217 1.00 75.32 O ATOM 1428 CB GLN A 89 10.484 -11.466 -17.059 1.00 41.03 C ATOM 1429 CG GLN A 89 10.653 -11.811 -15.570 1.00 33.40 C ATOM 1430 CD GLN A 89 12.044 -11.476 -15.037 1.00 34.11 C ATOM 1431 OE1 GLN A 89 12.915 -11.013 -15.772 1.00 52.31 O ATOM 1432 NE2 GLN A 89 12.254 -11.714 -13.741 1.00 21.20 N ATOM 0 H GLN A 89 8.453 -10.435 -16.032 1.00 64.52 H new ATOM 0 HA GLN A 89 9.080 -11.525 -18.661 1.00 21.23 H new ATOM 0 HB2 GLN A 89 11.173 -12.074 -17.645 1.00 41.03 H new ATOM 0 HB3 GLN A 89 10.765 -10.425 -17.216 1.00 41.03 H new ATOM 0 HG2 GLN A 89 9.907 -11.269 -14.990 1.00 33.40 H new ATOM 0 HG3 GLN A 89 10.460 -12.874 -15.424 1.00 33.40 H new ATOM 0 HE21 GLN A 89 11.505 -12.099 -13.165 1.00 21.20 H new ATOM 0 HE22 GLN A 89 13.163 -11.511 -13.326 1.00 21.20 H new ATOM 1441 N PRO A 90 8.661 -14.022 -18.297 1.00 62.33 N ATOM 1442 CA PRO A 90 8.292 -15.414 -18.119 1.00 33.20 C ATOM 1443 C PRO A 90 9.313 -16.083 -17.204 1.00 72.44 C ATOM 1444 O PRO A 90 10.450 -16.322 -17.609 1.00 73.13 O ATOM 1445 CB PRO A 90 8.273 -16.007 -19.528 1.00 62.35 C ATOM 1446 CG PRO A 90 9.303 -15.168 -20.283 1.00 24.10 C ATOM 1447 CD PRO A 90 9.155 -13.787 -19.644 1.00 13.10 C ATOM 0 HA PRO A 90 7.321 -15.556 -17.645 1.00 33.20 H new ATOM 0 HB2 PRO A 90 8.542 -17.063 -19.522 1.00 62.35 H new ATOM 0 HB3 PRO A 90 7.285 -15.932 -19.981 1.00 62.35 H new ATOM 0 HG2 PRO A 90 10.312 -15.563 -20.162 1.00 24.10 H new ATOM 0 HG3 PRO A 90 9.097 -15.142 -21.353 1.00 24.10 H new ATOM 0 HD2 PRO A 90 10.110 -13.262 -19.624 1.00 13.10 H new ATOM 0 HD3 PRO A 90 8.462 -13.166 -20.212 1.00 13.10 H new ATOM 1455 N LYS A 91 8.910 -16.360 -15.959 1.00 21.12 N ATOM 1456 CA LYS A 91 9.778 -16.970 -14.969 1.00 74.31 C ATOM 1457 C LYS A 91 9.736 -18.483 -15.175 1.00 55.13 C ATOM 1458 O LYS A 91 8.900 -19.172 -14.594 1.00 41.23 O ATOM 1459 CB LYS A 91 9.350 -16.534 -13.562 1.00 31.52 C ATOM 1460 CG LYS A 91 10.395 -16.946 -12.521 1.00 3.43 C ATOM 1461 CD LYS A 91 9.967 -16.491 -11.122 1.00 45.21 C ATOM 1462 CE LYS A 91 11.082 -16.715 -10.095 1.00 52.35 C ATOM 1463 NZ LYS A 91 11.507 -18.123 -10.039 1.00 51.01 N ATOM 0 H LYS A 91 7.969 -16.164 -15.618 1.00 21.12 H new ATOM 0 HA LYS A 91 10.812 -16.643 -15.083 1.00 74.31 H new ATOM 0 HB2 LYS A 91 9.213 -15.453 -13.538 1.00 31.52 H new ATOM 0 HB3 LYS A 91 8.388 -16.983 -13.315 1.00 31.52 H new ATOM 0 HG2 LYS A 91 10.523 -18.028 -12.534 1.00 3.43 H new ATOM 0 HG3 LYS A 91 11.361 -16.507 -12.773 1.00 3.43 H new ATOM 0 HD2 LYS A 91 9.701 -15.434 -11.147 1.00 45.21 H new ATOM 0 HD3 LYS A 91 9.075 -17.038 -10.817 1.00 45.21 H new ATOM 0 HE2 LYS A 91 11.937 -16.088 -10.346 1.00 52.35 H new ATOM 0 HE3 LYS A 91 10.736 -16.402 -9.110 1.00 52.35 H new ATOM 0 HZ1 LYS A 91 11.947 -18.316 -9.117 1.00 51.01 H new ATOM 0 HZ2 LYS A 91 10.680 -18.741 -10.164 1.00 51.01 H new ATOM 0 HZ3 LYS A 91 12.195 -18.308 -10.797 1.00 51.01 H new ATOM 1477 N ILE A 92 10.637 -18.980 -16.031 1.00 63.14 N ATOM 1478 CA ILE A 92 10.740 -20.387 -16.381 1.00 24.32 C ATOM 1479 C ILE A 92 11.405 -21.117 -15.213 1.00 25.30 C ATOM 1480 O ILE A 92 12.631 -21.120 -15.099 1.00 60.31 O ATOM 1481 CB ILE A 92 11.542 -20.564 -17.689 1.00 75.13 C ATOM 1482 CG1 ILE A 92 11.077 -19.661 -18.846 1.00 31.11 C ATOM 1483 CG2 ILE A 92 11.514 -22.034 -18.128 1.00 35.20 C ATOM 1484 CD1 ILE A 92 9.621 -19.869 -19.272 1.00 12.11 C ATOM 0 H ILE A 92 11.326 -18.396 -16.505 1.00 63.14 H new ATOM 0 HA ILE A 92 9.750 -20.808 -16.558 1.00 24.32 H new ATOM 0 HB ILE A 92 12.561 -20.252 -17.458 1.00 75.13 H new ATOM 0 HG12 ILE A 92 11.211 -18.620 -18.553 1.00 31.11 H new ATOM 0 HG13 ILE A 92 11.722 -19.835 -19.707 1.00 31.11 H new ATOM 0 HG21 ILE A 92 12.082 -22.149 -19.051 1.00 35.20 H new ATOM 0 HG22 ILE A 92 11.957 -22.655 -17.349 1.00 35.20 H new ATOM 0 HG23 ILE A 92 10.483 -22.344 -18.296 1.00 35.20 H new ATOM 0 HD11 ILE A 92 9.381 -19.192 -20.092 1.00 12.11 H new ATOM 0 HD12 ILE A 92 9.481 -20.899 -19.600 1.00 12.11 H new ATOM 0 HD13 ILE A 92 8.962 -19.665 -18.428 1.00 12.11 H new ATOM 1496 N VAL A 93 10.597 -21.739 -14.348 1.00 33.13 N ATOM 1497 CA VAL A 93 11.095 -22.569 -13.263 1.00 21.11 C ATOM 1498 C VAL A 93 11.447 -23.926 -13.859 1.00 41.01 C ATOM 1499 O VAL A 93 10.768 -24.392 -14.770 1.00 23.15 O ATOM 1500 CB VAL A 93 10.061 -22.712 -12.134 1.00 33.30 C ATOM 1501 CG1 VAL A 93 10.716 -23.382 -10.917 1.00 52.11 C ATOM 1502 CG2 VAL A 93 9.496 -21.359 -11.699 1.00 1.34 C ATOM 0 H VAL A 93 9.580 -21.677 -14.386 1.00 33.13 H new ATOM 0 HA VAL A 93 11.973 -22.107 -12.812 1.00 21.11 H new ATOM 0 HB VAL A 93 9.242 -23.320 -12.519 1.00 33.30 H new ATOM 0 HG11 VAL A 93 9.982 -23.482 -10.118 1.00 52.11 H new ATOM 0 HG12 VAL A 93 11.083 -24.369 -11.199 1.00 52.11 H new ATOM 0 HG13 VAL A 93 11.549 -22.771 -10.570 1.00 52.11 H new ATOM 0 HG21 VAL A 93 8.770 -21.508 -10.900 1.00 1.34 H new ATOM 0 HG22 VAL A 93 10.306 -20.725 -11.339 1.00 1.34 H new ATOM 0 HG23 VAL A 93 9.009 -20.879 -12.547 1.00 1.34 H new ATOM 1512 N LYS A 94 12.523 -24.536 -13.358 1.00 60.42 N ATOM 1513 CA LYS A 94 13.047 -25.792 -13.861 1.00 13.00 C ATOM 1514 C LYS A 94 12.894 -26.836 -12.761 1.00 51.45 C ATOM 1515 O LYS A 94 13.680 -26.860 -11.815 1.00 52.11 O ATOM 1516 CB LYS A 94 14.504 -25.594 -14.292 1.00 11.54 C ATOM 1517 CG LYS A 94 14.628 -24.593 -15.453 1.00 63.44 C ATOM 1518 CD LYS A 94 14.077 -25.158 -16.771 1.00 20.25 C ATOM 1519 CE LYS A 94 14.526 -24.316 -17.970 1.00 62.13 C ATOM 1520 NZ LYS A 94 15.964 -24.480 -18.252 1.00 44.44 N ATOM 0 H LYS A 94 13.059 -24.158 -12.577 1.00 60.42 H new ATOM 0 HA LYS A 94 12.501 -26.138 -14.739 1.00 13.00 H new ATOM 0 HB2 LYS A 94 15.089 -25.239 -13.443 1.00 11.54 H new ATOM 0 HB3 LYS A 94 14.927 -26.553 -14.592 1.00 11.54 H new ATOM 0 HG2 LYS A 94 14.092 -23.678 -15.200 1.00 63.44 H new ATOM 0 HG3 LYS A 94 15.675 -24.322 -15.586 1.00 63.44 H new ATOM 0 HD2 LYS A 94 14.417 -26.186 -16.898 1.00 20.25 H new ATOM 0 HD3 LYS A 94 12.988 -25.185 -16.730 1.00 20.25 H new ATOM 0 HE2 LYS A 94 13.949 -24.601 -18.850 1.00 62.13 H new ATOM 0 HE3 LYS A 94 14.312 -23.265 -17.776 1.00 62.13 H new ATOM 0 HZ1 LYS A 94 16.180 -24.093 -19.193 1.00 44.44 H new ATOM 0 HZ2 LYS A 94 16.519 -23.972 -17.534 1.00 44.44 H new ATOM 0 HZ3 LYS A 94 16.209 -25.490 -18.229 1.00 44.44 H new ATOM 1534 N TRP A 95 11.862 -27.679 -12.901 1.00 72.13 N ATOM 1535 CA TRP A 95 11.562 -28.800 -12.025 1.00 11.32 C ATOM 1536 C TRP A 95 12.825 -29.601 -11.719 1.00 60.35 C ATOM 1537 O TRP A 95 13.472 -30.113 -12.632 1.00 3.40 O ATOM 1538 CB TRP A 95 10.554 -29.722 -12.719 1.00 42.24 C ATOM 1539 CG TRP A 95 10.375 -31.066 -12.079 1.00 33.50 C ATOM 1540 CD1 TRP A 95 9.964 -31.305 -10.814 1.00 51.11 C ATOM 1541 CD2 TRP A 95 10.698 -32.369 -12.641 1.00 0.12 C ATOM 1542 NE1 TRP A 95 10.006 -32.660 -10.558 1.00 1.32 N ATOM 1543 CE2 TRP A 95 10.443 -33.368 -11.660 1.00 40.52 C ATOM 1544 CE3 TRP A 95 11.192 -32.800 -13.887 1.00 33.11 C ATOM 1545 CZ2 TRP A 95 10.650 -34.735 -11.916 1.00 14.14 C ATOM 1546 CZ3 TRP A 95 11.414 -34.165 -14.150 1.00 3.45 C ATOM 1547 CH2 TRP A 95 11.123 -35.134 -13.176 1.00 13.02 C ATOM 0 H TRP A 95 11.190 -27.587 -13.663 1.00 72.13 H new ATOM 0 HA TRP A 95 11.152 -28.412 -11.092 1.00 11.32 H new ATOM 0 HB2 TRP A 95 9.587 -29.220 -12.749 1.00 42.24 H new ATOM 0 HB3 TRP A 95 10.870 -29.868 -13.752 1.00 42.24 H new ATOM 0 HD1 TRP A 95 9.650 -30.549 -10.109 1.00 51.11 H new ATOM 0 HE1 TRP A 95 9.747 -33.085 -9.668 1.00 1.32 H new ATOM 0 HE3 TRP A 95 11.404 -32.071 -14.655 1.00 33.11 H new ATOM 0 HZ2 TRP A 95 10.447 -35.470 -11.151 1.00 14.14 H new ATOM 0 HZ3 TRP A 95 11.811 -34.469 -15.107 1.00 3.45 H new ATOM 0 HH2 TRP A 95 11.263 -36.182 -13.396 1.00 13.02 H new ATOM 1558 N ASP A 96 13.144 -29.731 -10.429 1.00 41.04 N ATOM 1559 CA ASP A 96 14.228 -30.583 -9.973 1.00 74.32 C ATOM 1560 C ASP A 96 13.738 -32.032 -9.971 1.00 55.44 C ATOM 1561 O ASP A 96 12.692 -32.335 -9.400 1.00 2.02 O ATOM 1562 CB ASP A 96 14.708 -30.135 -8.588 1.00 32.54 C ATOM 1563 CG ASP A 96 16.010 -30.835 -8.197 1.00 11.31 C ATOM 1564 OD1 ASP A 96 15.964 -32.068 -8.000 1.00 14.11 O ATOM 1565 OD2 ASP A 96 17.040 -30.128 -8.137 1.00 40.01 O ATOM 0 H ASP A 96 12.654 -29.246 -9.677 1.00 41.04 H new ATOM 0 HA ASP A 96 15.084 -30.505 -10.644 1.00 74.32 H new ATOM 0 HB2 ASP A 96 14.858 -29.055 -8.585 1.00 32.54 H new ATOM 0 HB3 ASP A 96 13.939 -30.352 -7.847 1.00 32.54 H new ATOM 1570 N ARG A 97 14.503 -32.913 -10.624 1.00 4.24 N ATOM 1571 CA ARG A 97 14.215 -34.332 -10.746 1.00 51.03 C ATOM 1572 C ARG A 97 14.485 -35.043 -9.422 1.00 64.12 C ATOM 1573 O ARG A 97 15.558 -35.604 -9.207 1.00 63.45 O ATOM 1574 CB ARG A 97 14.983 -34.958 -11.921 1.00 22.12 C ATOM 1575 CG ARG A 97 16.473 -34.582 -11.995 1.00 11.44 C ATOM 1576 CD ARG A 97 16.742 -33.396 -12.937 1.00 24.14 C ATOM 1577 NE ARG A 97 18.126 -32.916 -12.825 1.00 2.10 N ATOM 1578 CZ ARG A 97 18.634 -32.207 -11.799 1.00 32.42 C ATOM 1579 NH1 ARG A 97 17.890 -31.882 -10.731 1.00 60.33 N ATOM 1580 NH2 ARG A 97 19.916 -31.818 -11.845 1.00 53.15 N ATOM 0 H ARG A 97 15.366 -32.642 -11.095 1.00 4.24 H new ATOM 0 HA ARG A 97 13.156 -34.457 -10.972 1.00 51.03 H new ATOM 0 HB2 ARG A 97 14.900 -36.043 -11.854 1.00 22.12 H new ATOM 0 HB3 ARG A 97 14.501 -34.659 -12.852 1.00 22.12 H new ATOM 0 HG2 ARG A 97 16.831 -34.335 -10.996 1.00 11.44 H new ATOM 0 HG3 ARG A 97 17.045 -35.446 -12.334 1.00 11.44 H new ATOM 0 HD2 ARG A 97 16.543 -33.696 -13.966 1.00 24.14 H new ATOM 0 HD3 ARG A 97 16.055 -32.583 -12.704 1.00 24.14 H new ATOM 0 HE ARG A 97 18.759 -33.140 -13.593 1.00 2.10 H new ATOM 0 HH11 ARG A 97 16.914 -32.173 -10.682 1.00 60.33 H new ATOM 0 HH12 ARG A 97 18.301 -31.344 -9.968 1.00 60.33 H new ATOM 0 HH21 ARG A 97 20.494 -32.060 -12.650 1.00 53.15 H new ATOM 0 HH22 ARG A 97 20.314 -31.280 -11.075 1.00 53.15 H new ATOM 1594 N ASP A 98 13.470 -35.010 -8.554 1.00 33.34 N ATOM 1595 CA ASP A 98 13.430 -35.609 -7.233 1.00 41.04 C ATOM 1596 C ASP A 98 14.235 -34.775 -6.232 1.00 65.12 C ATOM 1597 O ASP A 98 15.464 -34.762 -6.282 1.00 34.50 O ATOM 1598 CB ASP A 98 13.836 -37.092 -7.250 1.00 24.43 C ATOM 1599 CG ASP A 98 13.420 -37.783 -5.952 1.00 44.51 C ATOM 1600 OD1 ASP A 98 12.248 -38.216 -5.892 1.00 35.51 O ATOM 1601 OD2 ASP A 98 14.275 -37.858 -5.043 1.00 21.54 O ATOM 0 H ASP A 98 12.599 -34.529 -8.779 1.00 33.34 H new ATOM 0 HA ASP A 98 12.394 -35.600 -6.894 1.00 41.04 H new ATOM 0 HB2 ASP A 98 13.370 -37.592 -8.099 1.00 24.43 H new ATOM 0 HB3 ASP A 98 14.914 -37.177 -7.383 1.00 24.43 H new ATOM 1606 N MET A 99 13.523 -34.085 -5.329 1.00 34.32 N ATOM 1607 CA MET A 99 14.060 -33.214 -4.289 1.00 20.35 C ATOM 1608 C MET A 99 14.796 -32.013 -4.893 1.00 15.41 C ATOM 1609 O MET A 99 14.092 -31.039 -5.237 1.00 12.00 O ATOM 1610 CB MET A 99 14.905 -34.011 -3.278 1.00 74.43 C ATOM 1611 CG MET A 99 15.224 -33.179 -2.029 1.00 71.44 C ATOM 1612 SD MET A 99 16.232 -34.042 -0.795 1.00 2.24 S ATOM 1613 CE MET A 99 16.238 -32.789 0.515 1.00 31.32 C ATOM 1614 OXT MET A 99 16.042 -32.077 -4.990 1.00 0.00 O ATOM 0 H MET A 99 12.504 -34.126 -5.309 1.00 34.32 H new ATOM 0 HA MET A 99 13.228 -32.797 -3.722 1.00 20.35 H new ATOM 0 HB2 MET A 99 14.369 -34.914 -2.987 1.00 74.43 H new ATOM 0 HB3 MET A 99 15.834 -34.330 -3.751 1.00 74.43 H new ATOM 0 HG2 MET A 99 15.744 -32.271 -2.335 1.00 71.44 H new ATOM 0 HG3 MET A 99 14.288 -32.869 -1.564 1.00 71.44 H new ATOM 0 HE1 MET A 99 16.818 -33.152 1.363 1.00 31.32 H new ATOM 0 HE2 MET A 99 16.685 -31.869 0.137 1.00 31.32 H new ATOM 0 HE3 MET A 99 15.215 -32.591 0.834 1.00 31.32 H new TER 1624 MET A 99