USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 GLN : amide:sc= 0.466 K(o=0.96,f=-4.1) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 169:sc= 0.496 (180deg=0) USER MOD Set 2.1: A 84 HIS : no HD1:sc= 0.922 K(o=2.3,f=-5.7!) USER MOD Set 2.2: A 86 THR OG1 : rot -93:sc= 1.38 USER MOD Set 3.1: A 52 SER OG : rot -96:sc= 0.348 USER MOD Set 3.2: A 55 SER OG : rot 12:sc= 0.287 USER MOD Set 4.1: A 10 TYR OH : rot 30:sc= 0.163 USER MOD Set 4.2: A 24 ASN : amide:sc= -0.911 K(o=-0.75,f=-1.7) USER MOD Set 5.1: A 8 GLN : amide:sc= 0 K(o=0,f=0.6) USER MOD Set 5.2: A 28 SER OG : rot 180:sc= 0 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 : amide:sc= -0.138 X(o=-0.14,f=-0.6) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00972 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.381 USER MOD Single : A 13 HIS : no HD1:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0274 K(o=-0.027,f=-1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.71) USER MOD Single : A 26 TYR OH : rot 132:sc= 1.36 USER MOD Single : A 31 HIS : no HE2:sc= 0.959 K(o=0.96,f=-3.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -176:sc=-0.00465 (180deg=-0.0351) USER MOD Single : A 42 ASN : amide:sc=-0.000938 K(o=-0.00094,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0.0184 X(o=0.018,f=-0.46) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0768 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.012 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -120:sc= -0.0331 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 87:sc= 0.295 USER MOD Single : A 75 LYS NZ :NH3+ -138:sc= -0.112 (180deg=-0.954) USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.196 K(o=-0.2,f=-4.9!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 138:sc= -0.262 (180deg=-1.43) USER MOD Single : A 99 MET CE :methyl 169:sc= -0.0409 (180deg=-0.248) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.495 -1.714 -3.374 1.00 14.24 N ATOM 2 CA MET A 0 0.762 -1.432 -1.953 1.00 64.35 C ATOM 3 C MET A 0 1.873 -2.339 -1.422 1.00 3.21 C ATOM 4 O MET A 0 3.006 -1.887 -1.267 1.00 13.01 O ATOM 5 CB MET A 0 -0.533 -1.525 -1.132 1.00 2.15 C ATOM 6 CG MET A 0 -0.326 -1.182 0.348 1.00 63.13 C ATOM 7 SD MET A 0 -1.859 -1.208 1.315 1.00 63.23 S ATOM 8 CE MET A 0 -1.187 -0.863 2.962 1.00 31.25 C ATOM 0 H1 MET A 0 -0.262 -1.088 -3.716 1.00 14.24 H new ATOM 0 H2 MET A 0 1.359 -1.548 -3.929 1.00 14.24 H new ATOM 0 H3 MET A 0 0.200 -2.705 -3.482 1.00 14.24 H new ATOM 0 HA MET A 0 1.123 -0.408 -1.853 1.00 64.35 H new ATOM 0 HB2 MET A 0 -1.276 -0.849 -1.556 1.00 2.15 H new ATOM 0 HB3 MET A 0 -0.937 -2.534 -1.213 1.00 2.15 H new ATOM 0 HG2 MET A 0 0.380 -1.890 0.782 1.00 63.13 H new ATOM 0 HG3 MET A 0 0.126 -0.193 0.424 1.00 63.13 H new ATOM 0 HE1 MET A 0 -1.999 -0.842 3.689 1.00 31.25 H new ATOM 0 HE2 MET A 0 -0.475 -1.642 3.235 1.00 31.25 H new ATOM 0 HE3 MET A 0 -0.682 0.103 2.954 1.00 31.25 H new ATOM 20 N ILE A 1 1.548 -3.616 -1.172 1.00 11.05 N ATOM 21 CA ILE A 1 2.488 -4.651 -0.763 1.00 5.30 C ATOM 22 C ILE A 1 2.531 -5.716 -1.862 1.00 31.32 C ATOM 23 O ILE A 1 1.701 -6.623 -1.910 1.00 63.25 O ATOM 24 CB ILE A 1 2.148 -5.180 0.644 1.00 23.33 C ATOM 25 CG1 ILE A 1 3.216 -6.206 1.059 1.00 21.30 C ATOM 26 CG2 ILE A 1 0.726 -5.748 0.790 1.00 52.43 C ATOM 27 CD1 ILE A 1 3.044 -6.695 2.498 1.00 33.12 C ATOM 0 H ILE A 1 0.591 -3.960 -1.254 1.00 11.05 H new ATOM 0 HA ILE A 1 3.498 -4.255 -0.660 1.00 5.30 H new ATOM 0 HB ILE A 1 2.160 -4.325 1.320 1.00 23.33 H new ATOM 0 HG12 ILE A 1 3.174 -7.060 0.383 1.00 21.30 H new ATOM 0 HG13 ILE A 1 4.204 -5.760 0.948 1.00 21.30 H new ATOM 0 HG21 ILE A 1 0.576 -6.096 1.812 1.00 52.43 H new ATOM 0 HG22 ILE A 1 -0.002 -4.970 0.562 1.00 52.43 H new ATOM 0 HG23 ILE A 1 0.594 -6.581 0.100 1.00 52.43 H new ATOM 0 HD11 ILE A 1 3.826 -7.417 2.733 1.00 33.12 H new ATOM 0 HD12 ILE A 1 3.114 -5.848 3.181 1.00 33.12 H new ATOM 0 HD13 ILE A 1 2.069 -7.169 2.607 1.00 33.12 H new ATOM 39 N GLN A 2 3.491 -5.557 -2.779 1.00 62.34 N ATOM 40 CA GLN A 2 3.548 -6.280 -4.037 1.00 43.51 C ATOM 41 C GLN A 2 4.362 -7.570 -3.876 1.00 42.44 C ATOM 42 O GLN A 2 5.533 -7.621 -4.249 1.00 21.31 O ATOM 43 CB GLN A 2 4.122 -5.322 -5.097 1.00 31.40 C ATOM 44 CG GLN A 2 4.058 -5.877 -6.522 1.00 75.24 C ATOM 45 CD GLN A 2 2.623 -5.995 -7.030 1.00 72.33 C ATOM 46 OE1 GLN A 2 2.008 -7.050 -6.912 1.00 54.44 O ATOM 47 NE2 GLN A 2 2.088 -4.918 -7.610 1.00 14.02 N ATOM 0 H GLN A 2 4.265 -4.904 -2.656 1.00 62.34 H new ATOM 0 HA GLN A 2 2.558 -6.600 -4.361 1.00 43.51 H new ATOM 0 HB2 GLN A 2 3.575 -4.380 -5.058 1.00 31.40 H new ATOM 0 HB3 GLN A 2 5.160 -5.099 -4.849 1.00 31.40 H new ATOM 0 HG2 GLN A 2 4.626 -5.228 -7.189 1.00 75.24 H new ATOM 0 HG3 GLN A 2 4.534 -6.857 -6.550 1.00 75.24 H new ATOM 0 HE21 GLN A 2 2.631 -4.059 -7.689 1.00 14.02 H new ATOM 0 HE22 GLN A 2 1.136 -4.955 -7.974 1.00 14.02 H new ATOM 56 N ARG A 3 3.733 -8.617 -3.322 1.00 63.44 N ATOM 57 CA ARG A 3 4.347 -9.930 -3.151 1.00 43.44 C ATOM 58 C ARG A 3 4.299 -10.726 -4.460 1.00 42.34 C ATOM 59 O ARG A 3 3.307 -10.675 -5.186 1.00 64.13 O ATOM 60 CB ARG A 3 3.671 -10.708 -2.012 1.00 5.04 C ATOM 61 CG ARG A 3 3.718 -9.925 -0.694 1.00 71.11 C ATOM 62 CD ARG A 3 3.509 -10.817 0.536 1.00 12.03 C ATOM 63 NE ARG A 3 2.173 -11.429 0.574 1.00 71.44 N ATOM 64 CZ ARG A 3 1.683 -12.104 1.631 1.00 34.34 C ATOM 65 NH1 ARG A 3 2.402 -12.241 2.755 1.00 4.33 N ATOM 66 NH2 ARG A 3 0.461 -12.651 1.569 1.00 23.15 N ATOM 0 H ARG A 3 2.774 -8.569 -2.978 1.00 63.44 H new ATOM 0 HA ARG A 3 5.393 -9.782 -2.882 1.00 43.44 H new ATOM 0 HB2 ARG A 3 2.634 -10.916 -2.277 1.00 5.04 H new ATOM 0 HB3 ARG A 3 4.166 -11.670 -1.883 1.00 5.04 H new ATOM 0 HG2 ARG A 3 4.680 -9.420 -0.611 1.00 71.11 H new ATOM 0 HG3 ARG A 3 2.951 -9.150 -0.710 1.00 71.11 H new ATOM 0 HD2 ARG A 3 4.264 -11.603 0.542 1.00 12.03 H new ATOM 0 HD3 ARG A 3 3.658 -10.225 1.439 1.00 12.03 H new ATOM 0 HE ARG A 3 1.581 -11.337 -0.251 1.00 71.44 H new ATOM 0 HH11 ARG A 3 3.334 -11.831 2.818 1.00 4.33 H new ATOM 0 HH12 ARG A 3 2.017 -12.755 3.547 1.00 4.33 H new ATOM 0 HH21 ARG A 3 -0.098 -12.556 0.721 1.00 23.15 H new ATOM 0 HH22 ARG A 3 0.090 -13.162 2.370 1.00 23.15 H new ATOM 80 N THR A 4 5.385 -11.455 -4.747 1.00 33.12 N ATOM 81 CA THR A 4 5.575 -12.257 -5.952 1.00 72.42 C ATOM 82 C THR A 4 5.177 -13.719 -5.698 1.00 72.23 C ATOM 83 O THR A 4 5.188 -14.160 -4.549 1.00 13.23 O ATOM 84 CB THR A 4 7.055 -12.177 -6.370 1.00 73.53 C ATOM 85 OG1 THR A 4 7.895 -12.559 -5.298 1.00 44.11 O ATOM 86 CG2 THR A 4 7.435 -10.768 -6.837 1.00 75.53 C ATOM 0 H THR A 4 6.186 -11.501 -4.117 1.00 33.12 H new ATOM 0 HA THR A 4 4.941 -11.869 -6.749 1.00 72.42 H new ATOM 0 HB THR A 4 7.192 -12.865 -7.204 1.00 73.53 H new ATOM 0 HG1 THR A 4 8.832 -12.504 -5.581 1.00 44.11 H new ATOM 0 HG21 THR A 4 8.486 -10.751 -7.124 1.00 75.53 H new ATOM 0 HG22 THR A 4 6.821 -10.491 -7.694 1.00 75.53 H new ATOM 0 HG23 THR A 4 7.268 -10.059 -6.026 1.00 75.53 H new ATOM 94 N PRO A 5 4.861 -14.495 -6.752 1.00 52.34 N ATOM 95 CA PRO A 5 4.651 -15.934 -6.650 1.00 34.40 C ATOM 96 C PRO A 5 5.937 -16.640 -6.215 1.00 15.13 C ATOM 97 O PRO A 5 6.996 -16.407 -6.795 1.00 35.30 O ATOM 98 CB PRO A 5 4.230 -16.402 -8.048 1.00 22.24 C ATOM 99 CG PRO A 5 4.760 -15.317 -8.982 1.00 45.12 C ATOM 100 CD PRO A 5 4.704 -14.052 -8.130 1.00 44.31 C ATOM 0 HA PRO A 5 3.892 -16.170 -5.904 1.00 34.40 H new ATOM 0 HB2 PRO A 5 4.656 -17.376 -8.287 1.00 22.24 H new ATOM 0 HB3 PRO A 5 3.147 -16.500 -8.126 1.00 22.24 H new ATOM 0 HG2 PRO A 5 5.776 -15.533 -9.312 1.00 45.12 H new ATOM 0 HG3 PRO A 5 4.146 -15.224 -9.878 1.00 45.12 H new ATOM 0 HD2 PRO A 5 5.495 -13.357 -8.410 1.00 44.31 H new ATOM 0 HD3 PRO A 5 3.757 -13.530 -8.267 1.00 44.31 H new ATOM 108 N LYS A 6 5.831 -17.512 -5.204 1.00 0.13 N ATOM 109 CA LYS A 6 6.936 -18.321 -4.710 1.00 32.41 C ATOM 110 C LYS A 6 6.990 -19.638 -5.489 1.00 60.41 C ATOM 111 O LYS A 6 5.956 -20.258 -5.733 1.00 53.21 O ATOM 112 CB LYS A 6 6.766 -18.584 -3.211 1.00 72.15 C ATOM 113 CG LYS A 6 6.821 -17.285 -2.396 1.00 71.12 C ATOM 114 CD LYS A 6 6.726 -17.602 -0.900 1.00 51.51 C ATOM 115 CE LYS A 6 6.832 -16.324 -0.064 1.00 52.04 C ATOM 116 NZ LYS A 6 6.813 -16.627 1.378 1.00 62.43 N ATOM 0 H LYS A 6 4.957 -17.673 -4.703 1.00 0.13 H new ATOM 0 HA LYS A 6 7.874 -17.786 -4.857 1.00 32.41 H new ATOM 0 HB2 LYS A 6 5.813 -19.084 -3.035 1.00 72.15 H new ATOM 0 HB3 LYS A 6 7.549 -19.261 -2.869 1.00 72.15 H new ATOM 0 HG2 LYS A 6 7.749 -16.753 -2.605 1.00 71.12 H new ATOM 0 HG3 LYS A 6 6.003 -16.627 -2.690 1.00 71.12 H new ATOM 0 HD2 LYS A 6 5.781 -18.102 -0.689 1.00 51.51 H new ATOM 0 HD3 LYS A 6 7.521 -18.292 -0.619 1.00 51.51 H new ATOM 0 HE2 LYS A 6 7.753 -15.797 -0.315 1.00 52.04 H new ATOM 0 HE3 LYS A 6 6.006 -15.657 -0.309 1.00 52.04 H new ATOM 0 HZ1 LYS A 6 6.886 -15.742 1.920 1.00 62.43 H new ATOM 0 HZ2 LYS A 6 5.923 -17.108 1.620 1.00 62.43 H new ATOM 0 HZ3 LYS A 6 7.616 -17.245 1.614 1.00 62.43 H new ATOM 130 N ILE A 7 8.200 -20.044 -5.888 1.00 22.42 N ATOM 131 CA ILE A 7 8.445 -21.175 -6.772 1.00 33.24 C ATOM 132 C ILE A 7 8.681 -22.430 -5.926 1.00 32.33 C ATOM 133 O ILE A 7 9.652 -22.485 -5.173 1.00 2.25 O ATOM 134 CB ILE A 7 9.648 -20.845 -7.678 1.00 63.55 C ATOM 135 CG1 ILE A 7 9.319 -19.638 -8.580 1.00 51.11 C ATOM 136 CG2 ILE A 7 10.010 -22.055 -8.550 1.00 63.44 C ATOM 137 CD1 ILE A 7 10.565 -19.021 -9.222 1.00 60.42 C ATOM 0 H ILE A 7 9.057 -19.577 -5.593 1.00 22.42 H new ATOM 0 HA ILE A 7 7.585 -21.367 -7.414 1.00 33.24 H new ATOM 0 HB ILE A 7 10.499 -20.598 -7.043 1.00 63.55 H new ATOM 0 HG12 ILE A 7 8.630 -19.953 -9.364 1.00 51.11 H new ATOM 0 HG13 ILE A 7 8.806 -18.879 -7.990 1.00 51.11 H new ATOM 0 HG21 ILE A 7 10.861 -21.805 -9.184 1.00 63.44 H new ATOM 0 HG22 ILE A 7 10.269 -22.900 -7.911 1.00 63.44 H new ATOM 0 HG23 ILE A 7 9.158 -22.321 -9.175 1.00 63.44 H new ATOM 0 HD11 ILE A 7 10.273 -18.176 -9.845 1.00 60.42 H new ATOM 0 HD12 ILE A 7 11.244 -18.678 -8.442 1.00 60.42 H new ATOM 0 HD13 ILE A 7 11.066 -19.769 -9.836 1.00 60.42 H new ATOM 149 N GLN A 8 7.789 -23.425 -6.046 1.00 24.12 N ATOM 150 CA GLN A 8 7.841 -24.681 -5.302 1.00 41.35 C ATOM 151 C GLN A 8 7.352 -25.818 -6.209 1.00 11.30 C ATOM 152 O GLN A 8 6.217 -26.273 -6.077 1.00 41.12 O ATOM 153 CB GLN A 8 6.985 -24.575 -4.029 1.00 12.41 C ATOM 154 CG GLN A 8 7.496 -23.525 -3.034 1.00 62.43 C ATOM 155 CD GLN A 8 6.540 -23.369 -1.856 1.00 52.14 C ATOM 156 OE1 GLN A 8 6.649 -24.083 -0.861 1.00 4.14 O ATOM 157 NE2 GLN A 8 5.604 -22.422 -1.964 1.00 22.44 N ATOM 0 H GLN A 8 6.993 -23.371 -6.681 1.00 24.12 H new ATOM 0 HA GLN A 8 8.865 -24.892 -4.995 1.00 41.35 H new ATOM 0 HB2 GLN A 8 5.960 -24.330 -4.309 1.00 12.41 H new ATOM 0 HB3 GLN A 8 6.958 -25.547 -3.537 1.00 12.41 H new ATOM 0 HG2 GLN A 8 8.482 -23.815 -2.670 1.00 62.43 H new ATOM 0 HG3 GLN A 8 7.612 -22.567 -3.540 1.00 62.43 H new ATOM 0 HE21 GLN A 8 5.550 -21.852 -2.808 1.00 22.44 H new ATOM 0 HE22 GLN A 8 4.943 -22.269 -1.202 1.00 22.44 H new ATOM 166 N VAL A 9 8.213 -26.250 -7.143 1.00 20.13 N ATOM 167 CA VAL A 9 7.899 -27.214 -8.193 1.00 3.21 C ATOM 168 C VAL A 9 8.551 -28.566 -7.898 1.00 40.02 C ATOM 169 O VAL A 9 9.714 -28.783 -8.237 1.00 53.23 O ATOM 170 CB VAL A 9 8.385 -26.658 -9.537 1.00 71.42 C ATOM 171 CG1 VAL A 9 8.068 -27.623 -10.685 1.00 2.21 C ATOM 172 CG2 VAL A 9 7.746 -25.293 -9.818 1.00 11.55 C ATOM 0 H VAL A 9 9.178 -25.923 -7.184 1.00 20.13 H new ATOM 0 HA VAL A 9 6.821 -27.371 -8.233 1.00 3.21 H new ATOM 0 HB VAL A 9 9.467 -26.541 -9.473 1.00 71.42 H new ATOM 0 HG11 VAL A 9 8.425 -27.201 -11.624 1.00 2.21 H new ATOM 0 HG12 VAL A 9 8.563 -28.577 -10.505 1.00 2.21 H new ATOM 0 HG13 VAL A 9 6.991 -27.778 -10.743 1.00 2.21 H new ATOM 0 HG21 VAL A 9 8.103 -24.914 -10.776 1.00 11.55 H new ATOM 0 HG22 VAL A 9 6.662 -25.399 -9.851 1.00 11.55 H new ATOM 0 HG23 VAL A 9 8.019 -24.594 -9.027 1.00 11.55 H new ATOM 182 N TYR A 10 7.791 -29.461 -7.261 1.00 4.22 N ATOM 183 CA TYR A 10 8.303 -30.730 -6.743 1.00 4.43 C ATOM 184 C TYR A 10 7.578 -31.941 -7.335 1.00 42.31 C ATOM 185 O TYR A 10 6.540 -31.805 -7.982 1.00 1.33 O ATOM 186 CB TYR A 10 8.228 -30.720 -5.208 1.00 74.22 C ATOM 187 CG TYR A 10 6.839 -30.588 -4.609 1.00 44.31 C ATOM 188 CD1 TYR A 10 6.312 -29.314 -4.326 1.00 41.12 C ATOM 189 CD2 TYR A 10 6.125 -31.739 -4.227 1.00 61.31 C ATOM 190 CE1 TYR A 10 5.050 -29.192 -3.718 1.00 64.31 C ATOM 191 CE2 TYR A 10 4.871 -31.617 -3.605 1.00 13.13 C ATOM 192 CZ TYR A 10 4.319 -30.343 -3.378 1.00 33.22 C ATOM 193 OH TYR A 10 3.069 -30.231 -2.842 1.00 33.15 O ATOM 0 H TYR A 10 6.795 -29.323 -7.090 1.00 4.22 H new ATOM 0 HA TYR A 10 9.344 -30.829 -7.051 1.00 4.43 H new ATOM 0 HB2 TYR A 10 8.676 -31.642 -4.836 1.00 74.22 H new ATOM 0 HB3 TYR A 10 8.840 -29.897 -4.840 1.00 74.22 H new ATOM 0 HD1 TYR A 10 6.878 -28.429 -4.576 1.00 41.12 H new ATOM 0 HD2 TYR A 10 6.542 -32.718 -4.412 1.00 61.31 H new ATOM 0 HE1 TYR A 10 4.642 -28.213 -3.512 1.00 64.31 H new ATOM 0 HE2 TYR A 10 4.331 -32.501 -3.301 1.00 13.13 H new ATOM 0 HH TYR A 10 2.641 -29.416 -3.177 1.00 33.15 H new ATOM 203 N SER A 11 8.136 -33.132 -7.085 1.00 45.31 N ATOM 204 CA SER A 11 7.602 -34.418 -7.514 1.00 0.10 C ATOM 205 C SER A 11 6.706 -34.998 -6.418 1.00 3.02 C ATOM 206 O SER A 11 7.178 -35.236 -5.307 1.00 73.32 O ATOM 207 CB SER A 11 8.759 -35.384 -7.806 1.00 72.24 C ATOM 208 OG SER A 11 9.712 -34.776 -8.648 1.00 1.11 O ATOM 0 H SER A 11 9.005 -33.223 -6.558 1.00 45.31 H new ATOM 0 HA SER A 11 7.012 -34.279 -8.420 1.00 0.10 H new ATOM 0 HB2 SER A 11 9.232 -35.687 -6.872 1.00 72.24 H new ATOM 0 HB3 SER A 11 8.375 -36.289 -8.277 1.00 72.24 H new ATOM 0 HG SER A 11 10.443 -35.405 -8.823 1.00 1.11 H new ATOM 214 N ARG A 12 5.429 -35.258 -6.729 1.00 52.31 N ATOM 215 CA ARG A 12 4.536 -35.986 -5.832 1.00 31.50 C ATOM 216 C ARG A 12 4.996 -37.443 -5.756 1.00 73.14 C ATOM 217 O ARG A 12 5.434 -37.905 -4.704 1.00 53.13 O ATOM 218 CB ARG A 12 3.088 -35.874 -6.334 1.00 11.32 C ATOM 219 CG ARG A 12 2.078 -36.752 -5.577 1.00 51.42 C ATOM 220 CD ARG A 12 1.846 -36.339 -4.117 1.00 51.43 C ATOM 221 NE ARG A 12 1.152 -35.049 -3.991 1.00 15.00 N ATOM 222 CZ ARG A 12 -0.153 -34.835 -4.241 1.00 64.32 C ATOM 223 NH1 ARG A 12 -0.941 -35.812 -4.713 1.00 24.15 N ATOM 224 NH2 ARG A 12 -0.680 -33.623 -4.014 1.00 74.14 N ATOM 0 H ARG A 12 4.993 -34.970 -7.605 1.00 52.31 H new ATOM 0 HA ARG A 12 4.570 -35.558 -4.830 1.00 31.50 H new ATOM 0 HB2 ARG A 12 2.771 -34.834 -6.261 1.00 11.32 H new ATOM 0 HB3 ARG A 12 3.062 -36.142 -7.390 1.00 11.32 H new ATOM 0 HG2 ARG A 12 1.125 -36.725 -6.105 1.00 51.42 H new ATOM 0 HG3 ARG A 12 2.425 -37.785 -5.599 1.00 51.42 H new ATOM 0 HD2 ARG A 12 1.262 -37.110 -3.615 1.00 51.43 H new ATOM 0 HD3 ARG A 12 2.806 -36.281 -3.604 1.00 51.43 H new ATOM 0 HE ARG A 12 1.707 -34.248 -3.688 1.00 15.00 H new ATOM 0 HH11 ARG A 12 -0.554 -36.739 -4.889 1.00 24.15 H new ATOM 0 HH12 ARG A 12 -1.928 -35.628 -4.896 1.00 24.15 H new ATOM 0 HH21 ARG A 12 -0.093 -32.871 -3.654 1.00 74.14 H new ATOM 0 HH22 ARG A 12 -1.668 -33.453 -4.201 1.00 74.14 H new ATOM 238 N HIS A 13 4.886 -38.156 -6.883 1.00 25.13 N ATOM 239 CA HIS A 13 5.302 -39.542 -7.038 1.00 2.44 C ATOM 240 C HIS A 13 6.770 -39.575 -7.476 1.00 22.14 C ATOM 241 O HIS A 13 7.218 -38.644 -8.146 1.00 20.35 O ATOM 242 CB HIS A 13 4.421 -40.197 -8.105 1.00 72.41 C ATOM 243 CG HIS A 13 2.970 -40.305 -7.726 1.00 61.11 C ATOM 244 ND1 HIS A 13 2.421 -41.461 -7.195 1.00 73.52 N ATOM 245 CD2 HIS A 13 1.928 -39.415 -7.815 1.00 3.42 C ATOM 246 CE1 HIS A 13 1.114 -41.220 -6.987 1.00 2.02 C ATOM 247 NE2 HIS A 13 0.752 -39.984 -7.339 1.00 64.11 N ATOM 0 H HIS A 13 4.490 -37.764 -7.738 1.00 25.13 H new ATOM 0 HA HIS A 13 5.198 -40.082 -6.097 1.00 2.44 H new ATOM 0 HB2 HIS A 13 4.502 -39.624 -9.029 1.00 72.41 H new ATOM 0 HB3 HIS A 13 4.805 -41.195 -8.315 1.00 72.41 H new ATOM 0 HD2 HIS A 13 2.011 -38.410 -8.202 1.00 3.42 H new ATOM 0 HE1 HIS A 13 0.430 -41.949 -6.579 1.00 2.02 H new ATOM 0 HE2 HIS A 13 -0.172 -39.557 -7.274 1.00 64.11 H new ATOM 255 N PRO A 14 7.527 -40.630 -7.130 1.00 21.50 N ATOM 256 CA PRO A 14 8.929 -40.757 -7.497 1.00 13.01 C ATOM 257 C PRO A 14 9.064 -40.957 -9.009 1.00 43.23 C ATOM 258 O PRO A 14 8.668 -41.992 -9.545 1.00 34.43 O ATOM 259 CB PRO A 14 9.458 -41.952 -6.700 1.00 14.23 C ATOM 260 CG PRO A 14 8.213 -42.807 -6.467 1.00 1.33 C ATOM 261 CD PRO A 14 7.103 -41.765 -6.327 1.00 0.02 C ATOM 0 HA PRO A 14 9.505 -39.861 -7.264 1.00 13.01 H new ATOM 0 HB2 PRO A 14 10.221 -42.498 -7.255 1.00 14.23 H new ATOM 0 HB3 PRO A 14 9.911 -41.638 -5.759 1.00 14.23 H new ATOM 0 HG2 PRO A 14 8.027 -43.485 -7.300 1.00 1.33 H new ATOM 0 HG3 PRO A 14 8.306 -43.420 -5.571 1.00 1.33 H new ATOM 0 HD2 PRO A 14 6.149 -42.159 -6.678 1.00 0.02 H new ATOM 0 HD3 PRO A 14 6.965 -41.478 -5.285 1.00 0.02 H new ATOM 269 N ALA A 15 9.620 -39.947 -9.688 1.00 41.32 N ATOM 270 CA ALA A 15 9.812 -39.927 -11.129 1.00 65.52 C ATOM 271 C ALA A 15 11.114 -40.639 -11.492 1.00 40.01 C ATOM 272 O ALA A 15 12.092 -39.995 -11.873 1.00 40.12 O ATOM 273 CB ALA A 15 9.804 -38.472 -11.602 1.00 42.44 C ATOM 0 H ALA A 15 9.956 -39.100 -9.230 1.00 41.32 H new ATOM 0 HA ALA A 15 9.004 -40.459 -11.631 1.00 65.52 H new ATOM 0 HB1 ALA A 15 9.947 -38.440 -12.682 1.00 42.44 H new ATOM 0 HB2 ALA A 15 8.849 -38.012 -11.349 1.00 42.44 H new ATOM 0 HB3 ALA A 15 10.611 -37.926 -11.113 1.00 42.44 H new ATOM 279 N GLU A 16 11.115 -41.974 -11.386 1.00 42.42 N ATOM 280 CA GLU A 16 12.280 -42.809 -11.654 1.00 11.11 C ATOM 281 C GLU A 16 12.320 -43.198 -13.139 1.00 33.51 C ATOM 282 O GLU A 16 12.469 -44.372 -13.472 1.00 75.33 O ATOM 283 CB GLU A 16 12.234 -44.025 -10.709 1.00 3.33 C ATOM 284 CG GLU A 16 13.582 -44.751 -10.584 1.00 22.41 C ATOM 285 CD GLU A 16 14.640 -43.879 -9.910 1.00 33.40 C ATOM 286 OE1 GLU A 16 15.576 -43.460 -10.625 1.00 32.13 O ATOM 287 OE2 GLU A 16 14.489 -43.645 -8.691 1.00 53.03 O ATOM 0 H GLU A 16 10.291 -42.507 -11.107 1.00 42.42 H new ATOM 0 HA GLU A 16 13.205 -42.267 -11.458 1.00 11.11 H new ATOM 0 HB2 GLU A 16 11.914 -43.696 -9.720 1.00 3.33 H new ATOM 0 HB3 GLU A 16 11.483 -44.728 -11.070 1.00 3.33 H new ATOM 0 HG2 GLU A 16 13.448 -45.668 -10.010 1.00 22.41 H new ATOM 0 HG3 GLU A 16 13.930 -45.043 -11.575 1.00 22.41 H new ATOM 294 N ASN A 17 12.185 -42.197 -14.021 1.00 2.24 N ATOM 295 CA ASN A 17 12.194 -42.312 -15.475 1.00 71.33 C ATOM 296 C ASN A 17 11.035 -43.179 -15.988 1.00 44.41 C ATOM 297 O ASN A 17 11.042 -44.399 -15.830 1.00 52.41 O ATOM 298 CB ASN A 17 13.565 -42.784 -15.978 1.00 11.04 C ATOM 299 CG ASN A 17 13.696 -42.573 -17.484 1.00 52.41 C ATOM 300 OD1 ASN A 17 14.220 -41.551 -17.923 1.00 62.31 O ATOM 301 ND2 ASN A 17 13.214 -43.531 -18.278 1.00 3.10 N ATOM 0 H ASN A 17 12.060 -41.232 -13.714 1.00 2.24 H new ATOM 0 HA ASN A 17 12.028 -41.320 -15.894 1.00 71.33 H new ATOM 0 HB2 ASN A 17 14.354 -42.238 -15.461 1.00 11.04 H new ATOM 0 HB3 ASN A 17 13.700 -43.840 -15.742 1.00 11.04 H new ATOM 0 HD21 ASN A 17 13.273 -43.431 -19.291 1.00 3.10 H new ATOM 0 HD22 ASN A 17 12.787 -44.363 -17.872 1.00 3.10 H new ATOM 308 N GLY A 18 10.039 -42.540 -16.613 1.00 15.40 N ATOM 309 CA GLY A 18 8.812 -43.171 -17.073 1.00 5.23 C ATOM 310 C GLY A 18 7.735 -43.108 -15.989 1.00 3.54 C ATOM 311 O GLY A 18 7.972 -42.560 -14.912 1.00 53.14 O ATOM 0 H GLY A 18 10.073 -41.541 -16.815 1.00 15.40 H new ATOM 0 HA2 GLY A 18 8.457 -42.673 -17.975 1.00 5.23 H new ATOM 0 HA3 GLY A 18 9.008 -44.210 -17.338 1.00 5.23 H new ATOM 315 N LYS A 19 6.557 -43.678 -16.289 1.00 12.31 N ATOM 316 CA LYS A 19 5.411 -43.825 -15.397 1.00 23.10 C ATOM 317 C LYS A 19 4.719 -42.482 -15.126 1.00 1.43 C ATOM 318 O LYS A 19 5.332 -41.425 -15.232 1.00 3.52 O ATOM 319 CB LYS A 19 5.849 -44.561 -14.123 1.00 21.12 C ATOM 320 CG LYS A 19 4.683 -45.046 -13.252 1.00 45.44 C ATOM 321 CD LYS A 19 5.166 -45.734 -11.969 1.00 64.53 C ATOM 322 CE LYS A 19 5.912 -47.046 -12.237 1.00 63.11 C ATOM 323 NZ LYS A 19 6.262 -47.727 -10.980 1.00 63.44 N ATOM 0 H LYS A 19 6.375 -44.068 -17.214 1.00 12.31 H new ATOM 0 HA LYS A 19 4.649 -44.435 -15.883 1.00 23.10 H new ATOM 0 HB2 LYS A 19 6.461 -45.418 -14.403 1.00 21.12 H new ATOM 0 HB3 LYS A 19 6.480 -43.898 -13.531 1.00 21.12 H new ATOM 0 HG2 LYS A 19 4.049 -44.198 -12.991 1.00 45.44 H new ATOM 0 HG3 LYS A 19 4.068 -45.740 -13.825 1.00 45.44 H new ATOM 0 HD2 LYS A 19 5.821 -45.055 -11.424 1.00 64.53 H new ATOM 0 HD3 LYS A 19 4.309 -45.935 -11.326 1.00 64.53 H new ATOM 0 HE2 LYS A 19 5.292 -47.702 -12.848 1.00 63.11 H new ATOM 0 HE3 LYS A 19 6.818 -46.842 -12.807 1.00 63.11 H new ATOM 0 HZ1 LYS A 19 6.766 -48.612 -11.193 1.00 63.44 H new ATOM 0 HZ2 LYS A 19 6.873 -47.109 -10.409 1.00 63.44 H new ATOM 0 HZ3 LYS A 19 5.394 -47.942 -10.449 1.00 63.44 H new ATOM 337 N SER A 20 3.424 -42.517 -14.789 1.00 22.50 N ATOM 338 CA SER A 20 2.661 -41.327 -14.440 1.00 43.43 C ATOM 339 C SER A 20 3.129 -40.768 -13.091 1.00 2.35 C ATOM 340 O SER A 20 3.288 -41.517 -12.127 1.00 73.11 O ATOM 341 CB SER A 20 1.167 -41.666 -14.422 1.00 22.44 C ATOM 342 OG SER A 20 0.906 -42.748 -13.551 1.00 73.15 O ATOM 0 H SER A 20 2.880 -43.379 -14.753 1.00 22.50 H new ATOM 0 HA SER A 20 2.829 -40.553 -15.189 1.00 43.43 H new ATOM 0 HB2 SER A 20 0.596 -40.793 -14.106 1.00 22.44 H new ATOM 0 HB3 SER A 20 0.835 -41.916 -15.429 1.00 22.44 H new ATOM 0 HG SER A 20 -0.054 -42.946 -13.554 1.00 73.15 H new ATOM 348 N ASN A 21 3.355 -39.449 -13.041 1.00 35.50 N ATOM 349 CA ASN A 21 3.783 -38.710 -11.858 1.00 14.43 C ATOM 350 C ASN A 21 3.094 -37.344 -11.877 1.00 34.12 C ATOM 351 O ASN A 21 2.827 -36.834 -12.959 1.00 13.13 O ATOM 352 CB ASN A 21 5.305 -38.501 -11.899 1.00 34.30 C ATOM 353 CG ASN A 21 6.114 -39.789 -12.043 1.00 3.05 C ATOM 354 OD1 ASN A 21 6.611 -40.088 -13.125 1.00 65.23 O ATOM 355 ND2 ASN A 21 6.277 -40.543 -10.955 1.00 21.22 N ATOM 0 H ASN A 21 3.239 -38.849 -13.858 1.00 35.50 H new ATOM 0 HA ASN A 21 3.521 -39.264 -10.956 1.00 14.43 H new ATOM 0 HB2 ASN A 21 5.547 -37.839 -12.731 1.00 34.30 H new ATOM 0 HB3 ASN A 21 5.615 -37.992 -10.986 1.00 34.30 H new ATOM 0 HD21 ASN A 21 6.829 -41.399 -11.006 1.00 21.22 H new ATOM 0 HD22 ASN A 21 5.849 -40.264 -10.072 1.00 21.22 H new ATOM 362 N PHE A 22 2.809 -36.745 -10.711 1.00 34.23 N ATOM 363 CA PHE A 22 2.162 -35.434 -10.637 1.00 45.05 C ATOM 364 C PHE A 22 3.159 -34.324 -10.294 1.00 0.45 C ATOM 365 O PHE A 22 3.873 -34.409 -9.294 1.00 24.44 O ATOM 366 CB PHE A 22 0.975 -35.467 -9.669 1.00 65.13 C ATOM 367 CG PHE A 22 -0.268 -36.078 -10.289 1.00 13.34 C ATOM 368 CD1 PHE A 22 -0.440 -37.475 -10.308 1.00 62.15 C ATOM 369 CD2 PHE A 22 -1.190 -35.255 -10.964 1.00 14.30 C ATOM 370 CE1 PHE A 22 -1.551 -38.040 -10.957 1.00 41.42 C ATOM 371 CE2 PHE A 22 -2.307 -35.818 -11.602 1.00 53.22 C ATOM 372 CZ PHE A 22 -2.489 -37.211 -11.597 1.00 60.45 C ATOM 0 H PHE A 22 3.020 -37.155 -9.801 1.00 34.23 H new ATOM 0 HA PHE A 22 1.771 -35.198 -11.627 1.00 45.05 H new ATOM 0 HB2 PHE A 22 1.251 -36.036 -8.781 1.00 65.13 H new ATOM 0 HB3 PHE A 22 0.751 -34.452 -9.340 1.00 65.13 H new ATOM 0 HD1 PHE A 22 0.283 -38.114 -9.823 1.00 62.15 H new ATOM 0 HD2 PHE A 22 -1.037 -34.186 -10.991 1.00 14.30 H new ATOM 0 HE1 PHE A 22 -1.684 -39.112 -10.964 1.00 41.42 H new ATOM 0 HE2 PHE A 22 -3.025 -35.181 -12.096 1.00 53.22 H new ATOM 0 HZ PHE A 22 -3.349 -37.645 -12.085 1.00 60.45 H new ATOM 382 N LEU A 23 3.193 -33.289 -11.145 1.00 45.14 N ATOM 383 CA LEU A 23 4.091 -32.146 -11.054 1.00 14.24 C ATOM 384 C LEU A 23 3.433 -31.089 -10.176 1.00 45.24 C ATOM 385 O LEU A 23 2.520 -30.405 -10.628 1.00 63.21 O ATOM 386 CB LEU A 23 4.339 -31.598 -12.469 1.00 23.44 C ATOM 387 CG LEU A 23 5.248 -30.363 -12.527 1.00 75.53 C ATOM 388 CD1 LEU A 23 6.659 -30.690 -12.031 1.00 44.03 C ATOM 389 CD2 LEU A 23 5.317 -29.870 -13.977 1.00 0.12 C ATOM 0 H LEU A 23 2.566 -33.230 -11.947 1.00 45.14 H new ATOM 0 HA LEU A 23 5.047 -32.432 -10.616 1.00 14.24 H new ATOM 0 HB2 LEU A 23 4.781 -32.387 -13.077 1.00 23.44 H new ATOM 0 HB3 LEU A 23 3.379 -31.348 -12.921 1.00 23.44 H new ATOM 0 HG LEU A 23 4.833 -29.591 -11.880 1.00 75.53 H new ATOM 0 HD11 LEU A 23 7.280 -29.796 -12.084 1.00 44.03 H new ATOM 0 HD12 LEU A 23 6.610 -31.037 -10.999 1.00 44.03 H new ATOM 0 HD13 LEU A 23 7.093 -31.470 -12.656 1.00 44.03 H new ATOM 0 HD21 LEU A 23 5.960 -28.992 -14.033 1.00 0.12 H new ATOM 0 HD22 LEU A 23 5.724 -30.658 -14.610 1.00 0.12 H new ATOM 0 HD23 LEU A 23 4.316 -29.609 -14.320 1.00 0.12 H new ATOM 401 N ASN A 24 3.885 -30.956 -8.926 1.00 0.12 N ATOM 402 CA ASN A 24 3.233 -30.112 -7.942 1.00 74.33 C ATOM 403 C ASN A 24 3.841 -28.717 -7.978 1.00 3.00 C ATOM 404 O ASN A 24 4.700 -28.395 -7.160 1.00 53.34 O ATOM 405 CB ASN A 24 3.362 -30.750 -6.557 1.00 43.24 C ATOM 406 CG ASN A 24 2.407 -31.927 -6.377 1.00 41.11 C ATOM 407 OD1 ASN A 24 2.058 -32.617 -7.332 1.00 4.40 O ATOM 408 ND2 ASN A 24 1.957 -32.139 -5.140 1.00 12.03 N ATOM 0 H ASN A 24 4.715 -31.434 -8.575 1.00 0.12 H new ATOM 0 HA ASN A 24 2.172 -30.019 -8.173 1.00 74.33 H new ATOM 0 HB2 ASN A 24 4.387 -31.089 -6.408 1.00 43.24 H new ATOM 0 HB3 ASN A 24 3.161 -30.000 -5.792 1.00 43.24 H new ATOM 0 HD21 ASN A 24 1.298 -32.897 -4.960 1.00 12.03 H new ATOM 0 HD22 ASN A 24 2.271 -31.543 -4.374 1.00 12.03 H new ATOM 415 N CYS A 25 3.358 -27.887 -8.911 1.00 34.21 N ATOM 416 CA CYS A 25 3.689 -26.471 -8.962 1.00 22.11 C ATOM 417 C CYS A 25 2.784 -25.743 -7.969 1.00 32.44 C ATOM 418 O CYS A 25 1.681 -25.325 -8.314 1.00 34.42 O ATOM 419 CB CYS A 25 3.579 -25.947 -10.400 1.00 54.01 C ATOM 420 SG CYS A 25 4.835 -26.648 -11.501 1.00 0.01 S ATOM 0 H CYS A 25 2.724 -28.187 -9.652 1.00 34.21 H new ATOM 0 HA CYS A 25 4.723 -26.291 -8.669 1.00 22.11 H new ATOM 0 HB2 CYS A 25 2.589 -26.179 -10.792 1.00 54.01 H new ATOM 0 HB3 CYS A 25 3.673 -24.861 -10.394 1.00 54.01 H new ATOM 425 N TYR A 26 3.253 -25.639 -6.719 1.00 63.12 N ATOM 426 CA TYR A 26 2.515 -25.068 -5.602 1.00 73.21 C ATOM 427 C TYR A 26 2.864 -23.583 -5.477 1.00 23.32 C ATOM 428 O TYR A 26 3.780 -23.217 -4.742 1.00 44.53 O ATOM 429 CB TYR A 26 2.843 -25.870 -4.336 1.00 54.54 C ATOM 430 CG TYR A 26 2.083 -25.434 -3.098 1.00 72.51 C ATOM 431 CD1 TYR A 26 2.714 -24.643 -2.122 1.00 72.32 C ATOM 432 CD2 TYR A 26 0.746 -25.831 -2.914 1.00 42.21 C ATOM 433 CE1 TYR A 26 2.007 -24.226 -0.982 1.00 21.44 C ATOM 434 CE2 TYR A 26 0.047 -25.444 -1.758 1.00 34.43 C ATOM 435 CZ TYR A 26 0.677 -24.640 -0.791 1.00 45.31 C ATOM 436 OH TYR A 26 0.000 -24.268 0.334 1.00 72.32 O ATOM 0 H TYR A 26 4.185 -25.961 -6.457 1.00 63.12 H new ATOM 0 HA TYR A 26 1.438 -25.131 -5.760 1.00 73.21 H new ATOM 0 HB2 TYR A 26 2.632 -26.923 -4.524 1.00 54.54 H new ATOM 0 HB3 TYR A 26 3.912 -25.790 -4.137 1.00 54.54 H new ATOM 0 HD1 TYR A 26 3.747 -24.355 -2.249 1.00 72.32 H new ATOM 0 HD2 TYR A 26 0.255 -26.435 -3.663 1.00 42.21 H new ATOM 0 HE1 TYR A 26 2.485 -23.588 -0.253 1.00 21.44 H new ATOM 0 HE2 TYR A 26 -0.974 -25.764 -1.612 1.00 34.43 H new ATOM 0 HH TYR A 26 -0.879 -23.914 0.085 1.00 72.32 H new ATOM 446 N VAL A 27 2.157 -22.728 -6.226 1.00 11.11 N ATOM 447 CA VAL A 27 2.550 -21.338 -6.416 1.00 33.31 C ATOM 448 C VAL A 27 1.817 -20.450 -5.409 1.00 73.52 C ATOM 449 O VAL A 27 0.630 -20.177 -5.581 1.00 25.11 O ATOM 450 CB VAL A 27 2.300 -20.914 -7.873 1.00 73.31 C ATOM 451 CG1 VAL A 27 2.866 -19.509 -8.090 1.00 64.12 C ATOM 452 CG2 VAL A 27 3.000 -21.864 -8.856 1.00 23.23 C ATOM 0 H VAL A 27 1.299 -22.986 -6.714 1.00 11.11 H new ATOM 0 HA VAL A 27 3.618 -21.223 -6.230 1.00 33.31 H new ATOM 0 HB VAL A 27 1.225 -20.940 -8.053 1.00 73.31 H new ATOM 0 HG11 VAL A 27 2.692 -19.202 -9.121 1.00 64.12 H new ATOM 0 HG12 VAL A 27 2.372 -18.810 -7.415 1.00 64.12 H new ATOM 0 HG13 VAL A 27 3.937 -19.513 -7.888 1.00 64.12 H new ATOM 0 HG21 VAL A 27 2.805 -21.539 -9.878 1.00 23.23 H new ATOM 0 HG22 VAL A 27 4.074 -21.853 -8.670 1.00 23.23 H new ATOM 0 HG23 VAL A 27 2.619 -22.876 -8.718 1.00 23.23 H new ATOM 462 N SER A 28 2.523 -20.023 -4.352 1.00 34.45 N ATOM 463 CA SER A 28 1.930 -19.354 -3.200 1.00 54.03 C ATOM 464 C SER A 28 2.280 -17.865 -3.119 1.00 34.33 C ATOM 465 O SER A 28 3.404 -17.465 -3.419 1.00 33.11 O ATOM 466 CB SER A 28 2.367 -20.086 -1.925 1.00 12.03 C ATOM 467 OG SER A 28 3.765 -20.018 -1.756 1.00 42.41 O ATOM 0 H SER A 28 3.534 -20.137 -4.279 1.00 34.45 H new ATOM 0 HA SER A 28 0.846 -19.396 -3.311 1.00 54.03 H new ATOM 0 HB2 SER A 28 1.871 -19.645 -1.060 1.00 12.03 H new ATOM 0 HB3 SER A 28 2.054 -21.129 -1.975 1.00 12.03 H new ATOM 0 HG SER A 28 4.019 -20.490 -0.936 1.00 42.41 H new ATOM 473 N GLY A 29 1.319 -17.065 -2.639 1.00 15.44 N ATOM 474 CA GLY A 29 1.538 -15.711 -2.144 1.00 75.12 C ATOM 475 C GLY A 29 1.827 -14.670 -3.224 1.00 14.01 C ATOM 476 O GLY A 29 2.605 -13.749 -2.979 1.00 41.21 O ATOM 0 H GLY A 29 0.343 -17.355 -2.585 1.00 15.44 H new ATOM 0 HA2 GLY A 29 0.657 -15.397 -1.584 1.00 75.12 H new ATOM 0 HA3 GLY A 29 2.372 -15.727 -1.443 1.00 75.12 H new ATOM 480 N PHE A 30 1.168 -14.776 -4.383 1.00 12.33 N ATOM 481 CA PHE A 30 1.220 -13.757 -5.423 1.00 63.44 C ATOM 482 C PHE A 30 0.104 -12.739 -5.203 1.00 42.43 C ATOM 483 O PHE A 30 -1.077 -13.078 -5.245 1.00 11.31 O ATOM 484 CB PHE A 30 1.143 -14.391 -6.812 1.00 35.24 C ATOM 485 CG PHE A 30 -0.041 -15.302 -7.057 1.00 51.41 C ATOM 486 CD1 PHE A 30 0.057 -16.674 -6.762 1.00 41.31 C ATOM 487 CD2 PHE A 30 -1.240 -14.780 -7.578 1.00 53.11 C ATOM 488 CE1 PHE A 30 -1.048 -17.513 -6.969 1.00 44.01 C ATOM 489 CE2 PHE A 30 -2.370 -15.603 -7.692 1.00 52.31 C ATOM 490 CZ PHE A 30 -2.274 -16.967 -7.378 1.00 53.43 C ATOM 0 H PHE A 30 0.583 -15.577 -4.622 1.00 12.33 H new ATOM 0 HA PHE A 30 2.175 -13.234 -5.364 1.00 63.44 H new ATOM 0 HB2 PHE A 30 1.123 -13.593 -7.554 1.00 35.24 H new ATOM 0 HB3 PHE A 30 2.057 -14.961 -6.982 1.00 35.24 H new ATOM 0 HD1 PHE A 30 0.981 -17.080 -6.377 1.00 41.31 H new ATOM 0 HD2 PHE A 30 -1.290 -13.747 -7.890 1.00 53.11 H new ATOM 0 HE1 PHE A 30 -0.955 -18.578 -6.814 1.00 44.01 H new ATOM 0 HE2 PHE A 30 -3.311 -15.188 -8.021 1.00 52.31 H new ATOM 0 HZ PHE A 30 -3.147 -17.599 -7.451 1.00 53.43 H new ATOM 500 N HIS A 31 0.494 -11.490 -4.948 1.00 72.13 N ATOM 501 CA HIS A 31 -0.423 -10.371 -4.786 1.00 71.14 C ATOM 502 C HIS A 31 -0.430 -9.543 -6.074 1.00 45.25 C ATOM 503 O HIS A 31 0.618 -9.409 -6.697 1.00 21.41 O ATOM 504 CB HIS A 31 -0.009 -9.528 -3.574 1.00 72.54 C ATOM 505 CG HIS A 31 -0.434 -10.163 -2.273 1.00 63.23 C ATOM 506 ND1 HIS A 31 -0.959 -9.424 -1.224 1.00 13.30 N ATOM 507 CD2 HIS A 31 -0.525 -11.475 -1.870 1.00 40.45 C ATOM 508 CE1 HIS A 31 -1.367 -10.297 -0.286 1.00 55.44 C ATOM 509 NE2 HIS A 31 -1.129 -11.567 -0.622 1.00 42.44 N ATOM 0 H HIS A 31 1.474 -11.227 -4.847 1.00 72.13 H new ATOM 0 HA HIS A 31 -1.434 -10.735 -4.603 1.00 71.14 H new ATOM 0 HB2 HIS A 31 1.073 -9.396 -3.577 1.00 72.54 H new ATOM 0 HB3 HIS A 31 -0.452 -8.535 -3.655 1.00 72.54 H new ATOM 0 HD1 HIS A 31 -1.024 -8.407 -1.173 1.00 13.30 H new ATOM 0 HD2 HIS A 31 -0.175 -12.319 -2.445 1.00 40.45 H new ATOM 0 HE1 HIS A 31 -1.837 -10.002 0.641 1.00 55.44 H new ATOM 517 N PRO A 32 -1.574 -8.978 -6.491 1.00 32.43 N ATOM 518 CA PRO A 32 -2.881 -9.133 -5.875 1.00 14.21 C ATOM 519 C PRO A 32 -3.454 -10.522 -6.177 1.00 31.53 C ATOM 520 O PRO A 32 -3.892 -11.212 -5.261 1.00 62.24 O ATOM 521 CB PRO A 32 -3.741 -8.012 -6.470 1.00 65.32 C ATOM 522 CG PRO A 32 -3.126 -7.764 -7.848 1.00 71.44 C ATOM 523 CD PRO A 32 -1.645 -8.091 -7.642 1.00 40.23 C ATOM 0 HA PRO A 32 -2.843 -9.059 -4.788 1.00 14.21 H new ATOM 0 HB2 PRO A 32 -4.787 -8.310 -6.548 1.00 65.32 H new ATOM 0 HB3 PRO A 32 -3.710 -7.115 -5.852 1.00 65.32 H new ATOM 0 HG2 PRO A 32 -3.576 -8.402 -8.609 1.00 71.44 H new ATOM 0 HG3 PRO A 32 -3.268 -6.733 -8.171 1.00 71.44 H new ATOM 0 HD2 PRO A 32 -1.227 -8.570 -8.527 1.00 40.23 H new ATOM 0 HD3 PRO A 32 -1.068 -7.183 -7.468 1.00 40.23 H new ATOM 531 N SER A 33 -3.446 -10.923 -7.455 1.00 12.24 N ATOM 532 CA SER A 33 -4.076 -12.147 -7.939 1.00 72.45 C ATOM 533 C SER A 33 -3.797 -12.447 -9.424 1.00 14.31 C ATOM 534 O SER A 33 -4.133 -13.543 -9.871 1.00 4.02 O ATOM 535 CB SER A 33 -5.593 -12.083 -7.700 1.00 2.04 C ATOM 536 OG SER A 33 -6.143 -10.941 -8.322 1.00 24.54 O ATOM 0 H SER A 33 -2.989 -10.389 -8.194 1.00 12.24 H new ATOM 0 HA SER A 33 -3.630 -12.964 -7.371 1.00 72.45 H new ATOM 0 HB2 SER A 33 -6.067 -12.982 -8.093 1.00 2.04 H new ATOM 0 HB3 SER A 33 -5.798 -12.056 -6.630 1.00 2.04 H new ATOM 0 HG SER A 33 -7.110 -10.915 -8.162 1.00 24.54 H new ATOM 542 N ASP A 34 -3.243 -11.505 -10.205 1.00 22.21 N ATOM 543 CA ASP A 34 -3.221 -11.579 -11.664 1.00 72.53 C ATOM 544 C ASP A 34 -2.079 -12.463 -12.187 1.00 41.12 C ATOM 545 O ASP A 34 -1.133 -11.959 -12.795 1.00 45.34 O ATOM 546 CB ASP A 34 -3.135 -10.158 -12.242 1.00 14.03 C ATOM 547 CG ASP A 34 -4.210 -9.220 -11.695 1.00 73.23 C ATOM 548 OD1 ASP A 34 -5.392 -9.623 -11.722 1.00 64.13 O ATOM 549 OD2 ASP A 34 -3.826 -8.113 -11.257 1.00 11.53 O ATOM 0 H ASP A 34 -2.796 -10.667 -9.833 1.00 22.21 H new ATOM 0 HA ASP A 34 -4.146 -12.051 -11.996 1.00 72.53 H new ATOM 0 HB2 ASP A 34 -2.152 -9.742 -12.021 1.00 14.03 H new ATOM 0 HB3 ASP A 34 -3.224 -10.208 -13.327 1.00 14.03 H new ATOM 554 N ILE A 35 -2.176 -13.781 -11.957 1.00 23.32 N ATOM 555 CA ILE A 35 -1.160 -14.760 -12.335 1.00 21.10 C ATOM 556 C ILE A 35 -1.556 -15.520 -13.604 1.00 31.30 C ATOM 557 O ILE A 35 -2.741 -15.661 -13.902 1.00 60.21 O ATOM 558 CB ILE A 35 -0.867 -15.714 -11.158 1.00 13.01 C ATOM 559 CG1 ILE A 35 0.463 -16.447 -11.400 1.00 21.44 C ATOM 560 CG2 ILE A 35 -2.022 -16.699 -10.919 1.00 3.01 C ATOM 561 CD1 ILE A 35 1.011 -17.116 -10.143 1.00 4.04 C ATOM 0 H ILE A 35 -2.982 -14.199 -11.493 1.00 23.32 H new ATOM 0 HA ILE A 35 -0.239 -14.225 -12.567 1.00 21.10 H new ATOM 0 HB ILE A 35 -0.776 -15.120 -10.249 1.00 13.01 H new ATOM 0 HG12 ILE A 35 0.320 -17.201 -12.174 1.00 21.44 H new ATOM 0 HG13 ILE A 35 1.199 -15.738 -11.778 1.00 21.44 H new ATOM 0 HG21 ILE A 35 -1.776 -17.353 -10.082 1.00 3.01 H new ATOM 0 HG22 ILE A 35 -2.932 -16.144 -10.690 1.00 3.01 H new ATOM 0 HG23 ILE A 35 -2.179 -17.300 -11.815 1.00 3.01 H new ATOM 0 HD11 ILE A 35 1.950 -17.617 -10.377 1.00 4.04 H new ATOM 0 HD12 ILE A 35 1.183 -16.362 -9.375 1.00 4.04 H new ATOM 0 HD13 ILE A 35 0.291 -17.848 -9.777 1.00 4.04 H new ATOM 573 N GLU A 36 -0.550 -16.031 -14.324 1.00 0.44 N ATOM 574 CA GLU A 36 -0.685 -16.880 -15.496 1.00 52.03 C ATOM 575 C GLU A 36 0.384 -17.975 -15.426 1.00 45.12 C ATOM 576 O GLU A 36 1.468 -17.834 -15.992 1.00 3.20 O ATOM 577 CB GLU A 36 -0.499 -16.036 -16.759 1.00 21.12 C ATOM 578 CG GLU A 36 -1.594 -14.984 -16.988 1.00 22.20 C ATOM 579 CD GLU A 36 -2.967 -15.609 -17.225 1.00 4.00 C ATOM 580 OE1 GLU A 36 -3.925 -15.151 -16.565 1.00 74.43 O ATOM 581 OE2 GLU A 36 -3.038 -16.527 -18.071 1.00 20.40 O ATOM 0 H GLU A 36 0.425 -15.850 -14.087 1.00 0.44 H new ATOM 0 HA GLU A 36 -1.674 -17.336 -15.525 1.00 52.03 H new ATOM 0 HB2 GLU A 36 0.466 -15.532 -16.705 1.00 21.12 H new ATOM 0 HB3 GLU A 36 -0.464 -16.700 -17.623 1.00 21.12 H new ATOM 0 HG2 GLU A 36 -1.644 -14.323 -16.123 1.00 22.20 H new ATOM 0 HG3 GLU A 36 -1.327 -14.367 -17.846 1.00 22.20 H new ATOM 588 N VAL A 37 0.064 -19.075 -14.736 1.00 61.34 N ATOM 589 CA VAL A 37 0.910 -20.262 -14.664 1.00 0.43 C ATOM 590 C VAL A 37 0.637 -21.128 -15.899 1.00 44.51 C ATOM 591 O VAL A 37 -0.127 -22.090 -15.844 1.00 14.10 O ATOM 592 CB VAL A 37 0.690 -21.023 -13.345 1.00 1.02 C ATOM 593 CG1 VAL A 37 1.746 -22.123 -13.175 1.00 12.12 C ATOM 594 CG2 VAL A 37 0.776 -20.079 -12.140 1.00 41.32 C ATOM 0 H VAL A 37 -0.803 -19.163 -14.206 1.00 61.34 H new ATOM 0 HA VAL A 37 1.961 -19.975 -14.667 1.00 0.43 H new ATOM 0 HB VAL A 37 -0.306 -21.464 -13.389 1.00 1.02 H new ATOM 0 HG11 VAL A 37 1.574 -22.650 -12.237 1.00 12.12 H new ATOM 0 HG12 VAL A 37 1.676 -22.826 -14.005 1.00 12.12 H new ATOM 0 HG13 VAL A 37 2.740 -21.675 -13.163 1.00 12.12 H new ATOM 0 HG21 VAL A 37 0.617 -20.645 -11.222 1.00 41.32 H new ATOM 0 HG22 VAL A 37 1.761 -19.613 -12.112 1.00 41.32 H new ATOM 0 HG23 VAL A 37 0.012 -19.307 -12.227 1.00 41.32 H new ATOM 604 N ASP A 38 1.262 -20.753 -17.019 1.00 23.44 N ATOM 605 CA ASP A 38 1.059 -21.336 -18.342 1.00 34.22 C ATOM 606 C ASP A 38 1.964 -22.561 -18.525 1.00 24.41 C ATOM 607 O ASP A 38 2.783 -22.607 -19.440 1.00 35.52 O ATOM 608 CB ASP A 38 1.329 -20.237 -19.384 1.00 14.45 C ATOM 609 CG ASP A 38 0.949 -20.649 -20.804 1.00 24.55 C ATOM 610 OD1 ASP A 38 -0.266 -20.632 -21.094 1.00 44.41 O ATOM 611 OD2 ASP A 38 1.880 -20.948 -21.584 1.00 43.23 O ATOM 0 H ASP A 38 1.952 -20.002 -17.025 1.00 23.44 H new ATOM 0 HA ASP A 38 0.036 -21.692 -18.466 1.00 34.22 H new ATOM 0 HB2 ASP A 38 0.771 -19.341 -19.111 1.00 14.45 H new ATOM 0 HB3 ASP A 38 2.386 -19.974 -19.360 1.00 14.45 H new ATOM 616 N LEU A 39 1.839 -23.544 -17.626 1.00 34.24 N ATOM 617 CA LEU A 39 2.785 -24.645 -17.509 1.00 51.02 C ATOM 618 C LEU A 39 2.843 -25.558 -18.733 1.00 12.21 C ATOM 619 O LEU A 39 1.858 -25.719 -19.455 1.00 42.31 O ATOM 620 CB LEU A 39 2.568 -25.439 -16.218 1.00 4.11 C ATOM 621 CG LEU A 39 1.268 -26.256 -16.167 1.00 35.21 C ATOM 622 CD1 LEU A 39 1.408 -27.326 -15.074 1.00 40.05 C ATOM 623 CD2 LEU A 39 0.035 -25.409 -15.841 1.00 3.24 C ATOM 0 H LEU A 39 1.071 -23.593 -16.957 1.00 34.24 H new ATOM 0 HA LEU A 39 3.767 -24.175 -17.459 1.00 51.02 H new ATOM 0 HB2 LEU A 39 3.411 -26.117 -16.080 1.00 4.11 H new ATOM 0 HB3 LEU A 39 2.576 -24.745 -15.377 1.00 4.11 H new ATOM 0 HG LEU A 39 1.121 -26.687 -17.157 1.00 35.21 H new ATOM 0 HD11 LEU A 39 0.493 -27.916 -15.023 1.00 40.05 H new ATOM 0 HD12 LEU A 39 2.249 -27.979 -15.309 1.00 40.05 H new ATOM 0 HD13 LEU A 39 1.582 -26.843 -14.112 1.00 40.05 H new ATOM 0 HD21 LEU A 39 -0.849 -26.046 -15.820 1.00 3.24 H new ATOM 0 HD22 LEU A 39 0.165 -24.937 -14.867 1.00 3.24 H new ATOM 0 HD23 LEU A 39 -0.090 -24.640 -16.603 1.00 3.24 H new ATOM 635 N LEU A 40 4.038 -26.125 -18.943 1.00 1.51 N ATOM 636 CA LEU A 40 4.462 -26.790 -20.168 1.00 32.21 C ATOM 637 C LEU A 40 4.964 -28.205 -19.873 1.00 4.03 C ATOM 638 O LEU A 40 5.203 -28.565 -18.720 1.00 3.04 O ATOM 639 CB LEU A 40 5.588 -25.972 -20.828 1.00 72.11 C ATOM 640 CG LEU A 40 5.286 -24.469 -20.965 1.00 3.43 C ATOM 641 CD1 LEU A 40 6.463 -23.757 -21.639 1.00 64.32 C ATOM 642 CD2 LEU A 40 4.015 -24.222 -21.781 1.00 34.43 C ATOM 0 H LEU A 40 4.764 -26.129 -18.227 1.00 1.51 H new ATOM 0 HA LEU A 40 3.608 -26.860 -20.841 1.00 32.21 H new ATOM 0 HB2 LEU A 40 6.500 -26.095 -20.244 1.00 72.11 H new ATOM 0 HB3 LEU A 40 5.786 -26.382 -21.818 1.00 72.11 H new ATOM 0 HG LEU A 40 5.134 -24.071 -19.962 1.00 3.43 H new ATOM 0 HD11 LEU A 40 6.240 -22.694 -21.732 1.00 64.32 H new ATOM 0 HD12 LEU A 40 7.361 -23.888 -21.036 1.00 64.32 H new ATOM 0 HD13 LEU A 40 6.626 -24.181 -22.630 1.00 64.32 H new ATOM 0 HD21 LEU A 40 3.834 -23.150 -21.857 1.00 34.43 H new ATOM 0 HD22 LEU A 40 4.137 -24.641 -22.780 1.00 34.43 H new ATOM 0 HD23 LEU A 40 3.168 -24.699 -21.288 1.00 34.43 H new ATOM 654 N LYS A 41 5.157 -28.983 -20.945 1.00 41.23 N ATOM 655 CA LYS A 41 5.795 -30.288 -20.929 1.00 43.35 C ATOM 656 C LYS A 41 6.681 -30.405 -22.168 1.00 1.00 C ATOM 657 O LYS A 41 6.195 -30.686 -23.261 1.00 0.32 O ATOM 658 CB LYS A 41 4.767 -31.426 -20.820 1.00 3.10 C ATOM 659 CG LYS A 41 3.562 -31.349 -21.769 1.00 24.13 C ATOM 660 CD LYS A 41 2.532 -32.453 -21.480 1.00 3.31 C ATOM 661 CE LYS A 41 3.090 -33.880 -21.576 1.00 21.32 C ATOM 662 NZ LYS A 41 3.768 -34.128 -22.861 1.00 13.43 N ATOM 0 H LYS A 41 4.859 -28.702 -21.879 1.00 41.23 H new ATOM 0 HA LYS A 41 6.419 -30.384 -20.041 1.00 43.35 H new ATOM 0 HB2 LYS A 41 5.282 -32.370 -20.997 1.00 3.10 H new ATOM 0 HB3 LYS A 41 4.395 -31.453 -19.796 1.00 3.10 H new ATOM 0 HG2 LYS A 41 3.085 -30.374 -21.672 1.00 24.13 H new ATOM 0 HG3 LYS A 41 3.906 -31.434 -22.800 1.00 24.13 H new ATOM 0 HD2 LYS A 41 2.125 -32.301 -20.480 1.00 3.31 H new ATOM 0 HD3 LYS A 41 1.703 -32.352 -22.180 1.00 3.31 H new ATOM 0 HE2 LYS A 41 3.791 -34.050 -20.759 1.00 21.32 H new ATOM 0 HE3 LYS A 41 2.277 -34.595 -21.452 1.00 21.32 H new ATOM 0 HZ1 LYS A 41 4.069 -35.122 -22.909 1.00 13.43 H new ATOM 0 HZ2 LYS A 41 3.113 -33.926 -23.644 1.00 13.43 H new ATOM 0 HZ3 LYS A 41 4.601 -33.510 -22.939 1.00 13.43 H new ATOM 676 N ASN A 42 7.984 -30.155 -21.988 1.00 42.53 N ATOM 677 CA ASN A 42 8.975 -30.116 -23.056 1.00 60.42 C ATOM 678 C ASN A 42 8.538 -29.131 -24.146 1.00 44.01 C ATOM 679 O ASN A 42 8.506 -29.472 -25.327 1.00 53.21 O ATOM 680 CB ASN A 42 9.244 -31.543 -23.567 1.00 22.23 C ATOM 681 CG ASN A 42 10.537 -31.672 -24.375 1.00 12.01 C ATOM 682 OD1 ASN A 42 11.245 -30.695 -24.607 1.00 14.42 O ATOM 683 ND2 ASN A 42 10.851 -32.898 -24.803 1.00 11.14 N ATOM 0 H ASN A 42 8.383 -29.970 -21.068 1.00 42.53 H new ATOM 0 HA ASN A 42 9.928 -29.741 -22.682 1.00 60.42 H new ATOM 0 HB2 ASN A 42 9.288 -32.222 -22.716 1.00 22.23 H new ATOM 0 HB3 ASN A 42 8.405 -31.862 -24.186 1.00 22.23 H new ATOM 0 HD21 ASN A 42 11.704 -33.047 -25.342 1.00 11.14 H new ATOM 0 HD22 ASN A 42 10.238 -33.685 -24.590 1.00 11.14 H new ATOM 690 N GLY A 43 8.177 -27.910 -23.728 1.00 52.41 N ATOM 691 CA GLY A 43 7.738 -26.842 -24.612 1.00 20.24 C ATOM 692 C GLY A 43 6.227 -26.858 -24.862 1.00 41.31 C ATOM 693 O GLY A 43 5.635 -25.790 -25.006 1.00 3.21 O ATOM 0 H GLY A 43 8.185 -27.640 -22.744 1.00 52.41 H new ATOM 0 HA2 GLY A 43 8.020 -25.881 -24.181 1.00 20.24 H new ATOM 0 HA3 GLY A 43 8.260 -26.929 -25.565 1.00 20.24 H new ATOM 697 N GLU A 44 5.601 -28.042 -24.936 1.00 3.03 N ATOM 698 CA GLU A 44 4.213 -28.176 -25.361 1.00 24.31 C ATOM 699 C GLU A 44 3.279 -27.742 -24.233 1.00 4.03 C ATOM 700 O GLU A 44 3.368 -28.263 -23.123 1.00 73.44 O ATOM 701 CB GLU A 44 3.919 -29.623 -25.788 1.00 51.31 C ATOM 702 CG GLU A 44 4.876 -30.148 -26.867 1.00 43.51 C ATOM 703 CD GLU A 44 4.846 -29.295 -28.131 1.00 33.15 C ATOM 704 OE1 GLU A 44 3.930 -29.523 -28.951 1.00 63.21 O ATOM 705 OE2 GLU A 44 5.737 -28.425 -28.254 1.00 20.12 O ATOM 0 H GLU A 44 6.048 -28.928 -24.702 1.00 3.03 H new ATOM 0 HA GLU A 44 4.042 -27.529 -26.222 1.00 24.31 H new ATOM 0 HB2 GLU A 44 3.979 -30.271 -24.914 1.00 51.31 H new ATOM 0 HB3 GLU A 44 2.896 -29.683 -26.160 1.00 51.31 H new ATOM 0 HG2 GLU A 44 5.891 -30.170 -26.470 1.00 43.51 H new ATOM 0 HG3 GLU A 44 4.609 -31.175 -27.118 1.00 43.51 H new ATOM 712 N ARG A 45 2.388 -26.785 -24.519 1.00 42.22 N ATOM 713 CA ARG A 45 1.436 -26.265 -23.548 1.00 45.43 C ATOM 714 C ARG A 45 0.395 -27.326 -23.190 1.00 73.11 C ATOM 715 O ARG A 45 0.007 -28.139 -24.027 1.00 3.40 O ATOM 716 CB ARG A 45 0.796 -24.978 -24.081 1.00 65.54 C ATOM 717 CG ARG A 45 -0.174 -24.358 -23.063 1.00 61.32 C ATOM 718 CD ARG A 45 -0.803 -23.078 -23.609 1.00 22.13 C ATOM 719 NE ARG A 45 0.190 -22.007 -23.735 1.00 73.43 N ATOM 720 CZ ARG A 45 -0.027 -20.829 -24.339 1.00 1.03 C ATOM 721 NH1 ARG A 45 -1.174 -20.588 -24.991 1.00 32.31 N ATOM 722 NH2 ARG A 45 0.915 -19.878 -24.280 1.00 20.13 N ATOM 0 H ARG A 45 2.312 -26.351 -25.439 1.00 42.22 H new ATOM 0 HA ARG A 45 1.961 -26.015 -22.626 1.00 45.43 H new ATOM 0 HB2 ARG A 45 1.577 -24.258 -24.324 1.00 65.54 H new ATOM 0 HB3 ARG A 45 0.262 -25.194 -25.007 1.00 65.54 H new ATOM 0 HG2 ARG A 45 -0.957 -25.076 -22.819 1.00 61.32 H new ATOM 0 HG3 ARG A 45 0.357 -24.139 -22.137 1.00 61.32 H new ATOM 0 HD2 ARG A 45 -1.251 -23.277 -24.582 1.00 22.13 H new ATOM 0 HD3 ARG A 45 -1.607 -22.755 -22.948 1.00 22.13 H new ATOM 0 HE ARG A 45 1.114 -22.169 -23.334 1.00 73.43 H new ATOM 0 HH11 ARG A 45 -1.897 -21.306 -25.033 1.00 32.31 H new ATOM 0 HH12 ARG A 45 -1.323 -19.687 -25.445 1.00 32.31 H new ATOM 0 HH21 ARG A 45 1.786 -20.054 -23.780 1.00 20.13 H new ATOM 0 HH22 ARG A 45 0.761 -18.979 -24.736 1.00 20.13 H new ATOM 736 N ILE A 46 -0.022 -27.315 -21.921 1.00 24.32 N ATOM 737 CA ILE A 46 -0.938 -28.274 -21.334 1.00 0.31 C ATOM 738 C ILE A 46 -2.338 -27.654 -21.332 1.00 12.35 C ATOM 739 O ILE A 46 -2.625 -26.795 -20.499 1.00 0.32 O ATOM 740 CB ILE A 46 -0.421 -28.628 -19.923 1.00 33.12 C ATOM 741 CG1 ILE A 46 0.989 -29.237 -20.063 1.00 54.04 C ATOM 742 CG2 ILE A 46 -1.365 -29.603 -19.206 1.00 54.34 C ATOM 743 CD1 ILE A 46 1.623 -29.667 -18.741 1.00 43.41 C ATOM 0 H ILE A 46 0.286 -26.606 -21.255 1.00 24.32 H new ATOM 0 HA ILE A 46 -0.996 -29.203 -21.901 1.00 0.31 H new ATOM 0 HB ILE A 46 -0.381 -27.724 -19.316 1.00 33.12 H new ATOM 0 HG12 ILE A 46 0.934 -30.102 -20.724 1.00 54.04 H new ATOM 0 HG13 ILE A 46 1.641 -28.508 -20.545 1.00 54.04 H new ATOM 0 HG21 ILE A 46 -0.970 -29.830 -18.216 1.00 54.34 H new ATOM 0 HG22 ILE A 46 -2.351 -29.149 -19.108 1.00 54.34 H new ATOM 0 HG23 ILE A 46 -1.445 -30.523 -19.784 1.00 54.34 H new ATOM 0 HD11 ILE A 46 2.612 -30.084 -18.930 1.00 43.41 H new ATOM 0 HD12 ILE A 46 1.713 -28.803 -18.083 1.00 43.41 H new ATOM 0 HD13 ILE A 46 0.996 -30.421 -18.265 1.00 43.41 H new ATOM 755 N GLU A 47 -3.210 -28.099 -22.250 1.00 24.40 N ATOM 756 CA GLU A 47 -4.600 -27.653 -22.347 1.00 74.52 C ATOM 757 C GLU A 47 -5.503 -28.491 -21.426 1.00 62.12 C ATOM 758 O GLU A 47 -6.634 -28.816 -21.785 1.00 71.21 O ATOM 759 CB GLU A 47 -5.087 -27.707 -23.807 1.00 15.20 C ATOM 760 CG GLU A 47 -4.358 -26.726 -24.740 1.00 42.51 C ATOM 761 CD GLU A 47 -2.928 -27.141 -25.078 1.00 43.05 C ATOM 762 OE1 GLU A 47 -2.081 -26.225 -25.151 1.00 14.53 O ATOM 763 OE2 GLU A 47 -2.709 -28.357 -25.268 1.00 31.50 O ATOM 0 H GLU A 47 -2.960 -28.791 -22.956 1.00 24.40 H new ATOM 0 HA GLU A 47 -4.655 -26.616 -22.015 1.00 74.52 H new ATOM 0 HB2 GLU A 47 -4.956 -28.720 -24.187 1.00 15.20 H new ATOM 0 HB3 GLU A 47 -6.155 -27.492 -23.832 1.00 15.20 H new ATOM 0 HG2 GLU A 47 -4.926 -26.629 -25.665 1.00 42.51 H new ATOM 0 HG3 GLU A 47 -4.339 -25.741 -24.273 1.00 42.51 H new ATOM 770 N LYS A 48 -5.006 -28.826 -20.230 1.00 40.22 N ATOM 771 CA LYS A 48 -5.727 -29.544 -19.192 1.00 13.23 C ATOM 772 C LYS A 48 -5.022 -29.221 -17.876 1.00 40.42 C ATOM 773 O LYS A 48 -4.280 -30.039 -17.334 1.00 64.23 O ATOM 774 CB LYS A 48 -5.769 -31.049 -19.515 1.00 44.45 C ATOM 775 CG LYS A 48 -6.829 -31.828 -18.715 1.00 51.11 C ATOM 776 CD LYS A 48 -6.516 -31.957 -17.217 1.00 14.33 C ATOM 777 CE LYS A 48 -7.455 -32.939 -16.511 1.00 53.12 C ATOM 778 NZ LYS A 48 -8.836 -32.434 -16.460 1.00 14.25 N ATOM 0 H LYS A 48 -4.052 -28.592 -19.955 1.00 40.22 H new ATOM 0 HA LYS A 48 -6.771 -29.239 -19.122 1.00 13.23 H new ATOM 0 HB2 LYS A 48 -5.964 -31.177 -20.580 1.00 44.45 H new ATOM 0 HB3 LYS A 48 -4.788 -31.481 -19.317 1.00 44.45 H new ATOM 0 HG2 LYS A 48 -7.793 -31.333 -18.832 1.00 51.11 H new ATOM 0 HG3 LYS A 48 -6.929 -32.826 -19.141 1.00 51.11 H new ATOM 0 HD2 LYS A 48 -5.485 -32.288 -17.090 1.00 14.33 H new ATOM 0 HD3 LYS A 48 -6.596 -30.978 -16.745 1.00 14.33 H new ATOM 0 HE2 LYS A 48 -7.437 -33.897 -17.031 1.00 53.12 H new ATOM 0 HE3 LYS A 48 -7.097 -33.120 -15.498 1.00 53.12 H new ATOM 0 HZ1 LYS A 48 -9.441 -33.127 -15.975 1.00 14.25 H new ATOM 0 HZ2 LYS A 48 -8.857 -31.533 -15.942 1.00 14.25 H new ATOM 0 HZ3 LYS A 48 -9.187 -32.285 -17.428 1.00 14.25 H new ATOM 792 N VAL A 49 -5.242 -28.001 -17.379 1.00 74.12 N ATOM 793 CA VAL A 49 -4.665 -27.530 -16.131 1.00 53.22 C ATOM 794 C VAL A 49 -5.643 -27.854 -15.004 1.00 1.05 C ATOM 795 O VAL A 49 -6.822 -27.515 -15.097 1.00 73.23 O ATOM 796 CB VAL A 49 -4.385 -26.020 -16.208 1.00 3.45 C ATOM 797 CG1 VAL A 49 -3.713 -25.537 -14.915 1.00 53.41 C ATOM 798 CG2 VAL A 49 -3.498 -25.675 -17.413 1.00 13.04 C ATOM 0 H VAL A 49 -5.833 -27.310 -17.842 1.00 74.12 H new ATOM 0 HA VAL A 49 -3.713 -28.026 -15.941 1.00 53.22 H new ATOM 0 HB VAL A 49 -5.341 -25.512 -16.331 1.00 3.45 H new ATOM 0 HG11 VAL A 49 -3.520 -24.466 -14.983 1.00 53.41 H new ATOM 0 HG12 VAL A 49 -4.370 -25.734 -14.068 1.00 53.41 H new ATOM 0 HG13 VAL A 49 -2.771 -26.067 -14.775 1.00 53.41 H new ATOM 0 HG21 VAL A 49 -3.320 -24.600 -17.438 1.00 13.04 H new ATOM 0 HG22 VAL A 49 -2.546 -26.199 -17.326 1.00 13.04 H new ATOM 0 HG23 VAL A 49 -3.998 -25.981 -18.332 1.00 13.04 H new ATOM 808 N GLU A 50 -5.141 -28.489 -13.940 1.00 51.05 N ATOM 809 CA GLU A 50 -5.882 -28.716 -12.710 1.00 12.01 C ATOM 810 C GLU A 50 -5.394 -27.688 -11.694 1.00 3.03 C ATOM 811 O GLU A 50 -4.239 -27.271 -11.751 1.00 41.04 O ATOM 812 CB GLU A 50 -5.661 -30.147 -12.217 1.00 22.21 C ATOM 813 CG GLU A 50 -6.188 -31.176 -13.224 1.00 35.30 C ATOM 814 CD GLU A 50 -6.045 -32.595 -12.682 1.00 52.51 C ATOM 815 OE1 GLU A 50 -7.055 -33.104 -12.148 1.00 1.03 O ATOM 816 OE2 GLU A 50 -4.932 -33.147 -12.814 1.00 2.12 O ATOM 0 H GLU A 50 -4.192 -28.863 -13.916 1.00 51.05 H new ATOM 0 HA GLU A 50 -6.954 -28.600 -12.867 1.00 12.01 H new ATOM 0 HB2 GLU A 50 -4.597 -30.314 -12.047 1.00 22.21 H new ATOM 0 HB3 GLU A 50 -6.162 -30.284 -11.259 1.00 22.21 H new ATOM 0 HG2 GLU A 50 -7.236 -30.971 -13.444 1.00 35.30 H new ATOM 0 HG3 GLU A 50 -5.641 -31.085 -14.163 1.00 35.30 H new ATOM 823 N HIS A 51 -6.286 -27.246 -10.804 1.00 44.43 N ATOM 824 CA HIS A 51 -6.045 -26.120 -9.914 1.00 12.44 C ATOM 825 C HIS A 51 -6.844 -26.312 -8.624 1.00 73.44 C ATOM 826 O HIS A 51 -7.929 -26.891 -8.653 1.00 43.41 O ATOM 827 CB HIS A 51 -6.425 -24.818 -10.630 1.00 71.41 C ATOM 828 CG HIS A 51 -7.878 -24.746 -11.024 1.00 65.14 C ATOM 829 ND1 HIS A 51 -8.823 -24.076 -10.262 1.00 13.43 N ATOM 830 CD2 HIS A 51 -8.577 -25.281 -12.080 1.00 51.22 C ATOM 831 CE1 HIS A 51 -10.012 -24.235 -10.870 1.00 62.42 C ATOM 832 NE2 HIS A 51 -9.927 -24.959 -11.988 1.00 32.24 N ATOM 0 H HIS A 51 -7.206 -27.669 -10.684 1.00 44.43 H new ATOM 0 HA HIS A 51 -4.989 -26.063 -9.649 1.00 12.44 H new ATOM 0 HB2 HIS A 51 -6.192 -23.975 -9.980 1.00 71.41 H new ATOM 0 HB3 HIS A 51 -5.810 -24.712 -11.523 1.00 71.41 H new ATOM 0 HD2 HIS A 51 -8.138 -25.870 -12.872 1.00 51.22 H new ATOM 0 HE1 HIS A 51 -10.936 -23.821 -10.494 1.00 62.42 H new ATOM 0 HE2 HIS A 51 -10.679 -25.217 -12.627 1.00 32.24 H new ATOM 840 N SER A 52 -6.312 -25.823 -7.495 1.00 52.21 N ATOM 841 CA SER A 52 -6.929 -25.987 -6.180 1.00 42.41 C ATOM 842 C SER A 52 -7.988 -24.909 -5.890 1.00 0.53 C ATOM 843 O SER A 52 -8.168 -24.524 -4.736 1.00 0.41 O ATOM 844 CB SER A 52 -5.828 -26.017 -5.111 1.00 42.21 C ATOM 845 OG SER A 52 -6.344 -26.417 -3.858 1.00 2.14 O ATOM 0 H SER A 52 -5.436 -25.300 -7.473 1.00 52.21 H new ATOM 0 HA SER A 52 -7.468 -26.934 -6.163 1.00 42.41 H new ATOM 0 HB2 SER A 52 -5.038 -26.703 -5.418 1.00 42.21 H new ATOM 0 HB3 SER A 52 -5.376 -25.029 -5.023 1.00 42.21 H new ATOM 0 HG SER A 52 -6.552 -25.624 -3.321 1.00 2.14 H new ATOM 851 N ASP A 53 -8.704 -24.446 -6.925 1.00 51.35 N ATOM 852 CA ASP A 53 -9.849 -23.544 -6.830 1.00 31.11 C ATOM 853 C ASP A 53 -9.569 -22.318 -5.947 1.00 15.31 C ATOM 854 O ASP A 53 -10.415 -21.924 -5.147 1.00 0.32 O ATOM 855 CB ASP A 53 -11.077 -24.357 -6.389 1.00 12.02 C ATOM 856 CG ASP A 53 -12.394 -23.606 -6.580 1.00 31.54 C ATOM 857 OD1 ASP A 53 -13.085 -23.392 -5.560 1.00 43.51 O ATOM 858 OD2 ASP A 53 -12.693 -23.271 -7.747 1.00 23.54 O ATOM 0 H ASP A 53 -8.488 -24.703 -7.888 1.00 51.35 H new ATOM 0 HA ASP A 53 -10.055 -23.115 -7.811 1.00 31.11 H new ATOM 0 HB2 ASP A 53 -11.111 -25.288 -6.955 1.00 12.02 H new ATOM 0 HB3 ASP A 53 -10.969 -24.627 -5.338 1.00 12.02 H new ATOM 863 N LEU A 54 -8.377 -21.724 -6.111 1.00 2.22 N ATOM 864 CA LEU A 54 -7.916 -20.526 -5.419 1.00 31.43 C ATOM 865 C LEU A 54 -8.103 -20.633 -3.900 1.00 15.23 C ATOM 866 O LEU A 54 -9.094 -20.148 -3.356 1.00 55.25 O ATOM 867 CB LEU A 54 -8.604 -19.294 -6.019 1.00 24.45 C ATOM 868 CG LEU A 54 -7.995 -17.976 -5.519 1.00 43.43 C ATOM 869 CD1 LEU A 54 -6.579 -17.756 -6.061 1.00 15.31 C ATOM 870 CD2 LEU A 54 -8.881 -16.817 -5.988 1.00 21.13 C ATOM 0 H LEU A 54 -7.681 -22.088 -6.762 1.00 2.22 H new ATOM 0 HA LEU A 54 -6.842 -20.420 -5.570 1.00 31.43 H new ATOM 0 HB2 LEU A 54 -8.531 -19.335 -7.106 1.00 24.45 H new ATOM 0 HB3 LEU A 54 -9.665 -19.317 -5.770 1.00 24.45 H new ATOM 0 HG LEU A 54 -7.939 -18.022 -4.431 1.00 43.43 H new ATOM 0 HD11 LEU A 54 -6.187 -16.812 -5.682 1.00 15.31 H new ATOM 0 HD12 LEU A 54 -5.934 -18.573 -5.737 1.00 15.31 H new ATOM 0 HD13 LEU A 54 -6.607 -17.726 -7.150 1.00 15.31 H new ATOM 0 HD21 LEU A 54 -8.460 -15.874 -5.640 1.00 21.13 H new ATOM 0 HD22 LEU A 54 -8.929 -16.813 -7.077 1.00 21.13 H new ATOM 0 HD23 LEU A 54 -9.885 -16.939 -5.581 1.00 21.13 H new ATOM 882 N SER A 55 -7.143 -21.265 -3.215 1.00 64.33 N ATOM 883 CA SER A 55 -7.236 -21.531 -1.785 1.00 2.30 C ATOM 884 C SER A 55 -6.700 -20.332 -1.002 1.00 12.52 C ATOM 885 O SER A 55 -5.522 -19.989 -1.110 1.00 14.24 O ATOM 886 CB SER A 55 -6.498 -22.822 -1.417 1.00 4.40 C ATOM 887 OG SER A 55 -6.920 -23.892 -2.235 1.00 24.32 O ATOM 0 H SER A 55 -6.281 -21.605 -3.642 1.00 64.33 H new ATOM 0 HA SER A 55 -8.283 -21.676 -1.518 1.00 2.30 H new ATOM 0 HB2 SER A 55 -5.423 -22.676 -1.527 1.00 4.40 H new ATOM 0 HB3 SER A 55 -6.681 -23.065 -0.370 1.00 4.40 H new ATOM 0 HG SER A 55 -7.448 -23.543 -2.983 1.00 24.32 H new ATOM 893 N PHE A 56 -7.582 -19.692 -0.226 1.00 51.13 N ATOM 894 CA PHE A 56 -7.290 -18.483 0.527 1.00 14.31 C ATOM 895 C PHE A 56 -6.676 -18.844 1.879 1.00 0.23 C ATOM 896 O PHE A 56 -7.240 -19.648 2.620 1.00 73.14 O ATOM 897 CB PHE A 56 -8.583 -17.683 0.728 1.00 71.15 C ATOM 898 CG PHE A 56 -9.331 -17.368 -0.554 1.00 54.32 C ATOM 899 CD1 PHE A 56 -8.956 -16.261 -1.336 1.00 61.45 C ATOM 900 CD2 PHE A 56 -10.403 -18.184 -0.964 1.00 31.35 C ATOM 901 CE1 PHE A 56 -9.671 -15.953 -2.507 1.00 35.25 C ATOM 902 CE2 PHE A 56 -11.118 -17.874 -2.133 1.00 51.25 C ATOM 903 CZ PHE A 56 -10.760 -16.751 -2.898 1.00 60.41 C ATOM 0 H PHE A 56 -8.542 -20.015 -0.106 1.00 51.13 H new ATOM 0 HA PHE A 56 -6.575 -17.875 -0.027 1.00 14.31 H new ATOM 0 HB2 PHE A 56 -9.243 -18.243 1.391 1.00 71.15 H new ATOM 0 HB3 PHE A 56 -8.342 -16.748 1.233 1.00 71.15 H new ATOM 0 HD1 PHE A 56 -8.119 -15.647 -1.037 1.00 61.45 H new ATOM 0 HD2 PHE A 56 -10.676 -19.050 -0.379 1.00 31.35 H new ATOM 0 HE1 PHE A 56 -9.383 -15.102 -3.107 1.00 35.25 H new ATOM 0 HE2 PHE A 56 -11.943 -18.499 -2.444 1.00 51.25 H new ATOM 0 HZ PHE A 56 -11.321 -16.501 -3.786 1.00 60.41 H new ATOM 913 N SER A 57 -5.535 -18.229 2.206 1.00 54.11 N ATOM 914 CA SER A 57 -4.891 -18.368 3.505 1.00 3.24 C ATOM 915 C SER A 57 -5.525 -17.417 4.521 1.00 55.31 C ATOM 916 O SER A 57 -6.098 -16.392 4.153 1.00 2.33 O ATOM 917 CB SER A 57 -3.399 -18.061 3.349 1.00 41.05 C ATOM 918 OG SER A 57 -2.718 -18.126 4.584 1.00 42.11 O ATOM 0 H SER A 57 -5.032 -17.615 1.565 1.00 54.11 H new ATOM 0 HA SER A 57 -5.022 -19.387 3.871 1.00 3.24 H new ATOM 0 HB2 SER A 57 -2.953 -18.769 2.651 1.00 41.05 H new ATOM 0 HB3 SER A 57 -3.276 -17.068 2.918 1.00 41.05 H new ATOM 0 HG SER A 57 -1.769 -17.926 4.445 1.00 42.11 H new ATOM 924 N LYS A 58 -5.364 -17.751 5.808 1.00 14.35 N ATOM 925 CA LYS A 58 -5.651 -16.870 6.933 1.00 35.33 C ATOM 926 C LYS A 58 -4.912 -15.534 6.785 1.00 31.20 C ATOM 927 O LYS A 58 -5.460 -14.484 7.115 1.00 12.31 O ATOM 928 CB LYS A 58 -5.295 -17.574 8.254 1.00 3.54 C ATOM 929 CG LYS A 58 -3.799 -17.898 8.404 1.00 51.01 C ATOM 930 CD LYS A 58 -3.528 -18.660 9.704 1.00 33.33 C ATOM 931 CE LYS A 58 -2.031 -18.956 9.846 1.00 25.12 C ATOM 932 NZ LYS A 58 -1.742 -19.650 11.113 1.00 71.24 N ATOM 0 H LYS A 58 -5.021 -18.667 6.097 1.00 14.35 H new ATOM 0 HA LYS A 58 -6.718 -16.646 6.945 1.00 35.33 H new ATOM 0 HB2 LYS A 58 -5.605 -16.942 9.086 1.00 3.54 H new ATOM 0 HB3 LYS A 58 -5.866 -18.499 8.327 1.00 3.54 H new ATOM 0 HG2 LYS A 58 -3.466 -18.493 7.554 1.00 51.01 H new ATOM 0 HG3 LYS A 58 -3.221 -16.974 8.393 1.00 51.01 H new ATOM 0 HD2 LYS A 58 -3.872 -18.073 10.556 1.00 33.33 H new ATOM 0 HD3 LYS A 58 -4.092 -19.593 9.711 1.00 33.33 H new ATOM 0 HE2 LYS A 58 -1.698 -19.569 9.009 1.00 25.12 H new ATOM 0 HE3 LYS A 58 -1.468 -18.024 9.802 1.00 25.12 H new ATOM 0 HZ1 LYS A 58 -0.721 -19.837 11.181 1.00 71.24 H new ATOM 0 HZ2 LYS A 58 -2.039 -19.053 11.911 1.00 71.24 H new ATOM 0 HZ3 LYS A 58 -2.262 -20.550 11.142 1.00 71.24 H new ATOM 946 N ASP A 59 -3.675 -15.582 6.273 1.00 3.21 N ATOM 947 CA ASP A 59 -2.832 -14.422 6.034 1.00 64.23 C ATOM 948 C ASP A 59 -3.388 -13.583 4.883 1.00 12.31 C ATOM 949 O ASP A 59 -3.509 -12.366 5.009 1.00 52.02 O ATOM 950 CB ASP A 59 -1.406 -14.884 5.711 1.00 3.20 C ATOM 951 CG ASP A 59 -0.801 -15.701 6.851 1.00 34.21 C ATOM 952 OD1 ASP A 59 -0.924 -16.944 6.791 1.00 13.10 O ATOM 953 OD2 ASP A 59 -0.231 -15.068 7.765 1.00 54.34 O ATOM 0 H ASP A 59 -3.228 -16.460 6.009 1.00 3.21 H new ATOM 0 HA ASP A 59 -2.817 -13.804 6.931 1.00 64.23 H new ATOM 0 HB2 ASP A 59 -1.416 -15.483 4.800 1.00 3.20 H new ATOM 0 HB3 ASP A 59 -0.778 -14.015 5.514 1.00 3.20 H new ATOM 958 N GLY A 60 -3.702 -14.241 3.760 1.00 11.44 N ATOM 959 CA GLY A 60 -4.158 -13.606 2.532 1.00 32.32 C ATOM 960 C GLY A 60 -3.541 -14.246 1.287 1.00 54.43 C ATOM 961 O GLY A 60 -4.077 -14.060 0.197 1.00 74.21 O ATOM 0 H GLY A 60 -3.642 -15.257 3.686 1.00 11.44 H new ATOM 0 HA2 GLY A 60 -5.244 -13.673 2.472 1.00 32.32 H new ATOM 0 HA3 GLY A 60 -3.905 -12.546 2.557 1.00 32.32 H new ATOM 965 N SER A 61 -2.427 -14.984 1.434 1.00 14.12 N ATOM 966 CA SER A 61 -1.733 -15.625 0.325 1.00 21.21 C ATOM 967 C SER A 61 -2.684 -16.507 -0.491 1.00 51.22 C ATOM 968 O SER A 61 -3.425 -17.319 0.062 1.00 54.13 O ATOM 969 CB SER A 61 -0.511 -16.412 0.822 1.00 31.33 C ATOM 970 OG SER A 61 -0.860 -17.409 1.754 1.00 74.44 O ATOM 0 H SER A 61 -1.986 -15.148 2.339 1.00 14.12 H new ATOM 0 HA SER A 61 -1.369 -14.843 -0.342 1.00 21.21 H new ATOM 0 HB2 SER A 61 -0.008 -16.873 -0.028 1.00 31.33 H new ATOM 0 HB3 SER A 61 0.200 -15.724 1.279 1.00 31.33 H new ATOM 0 HG SER A 61 -0.053 -17.885 2.041 1.00 74.44 H new ATOM 976 N PHE A 62 -2.674 -16.294 -1.811 1.00 43.12 N ATOM 977 CA PHE A 62 -3.606 -16.873 -2.763 1.00 41.11 C ATOM 978 C PHE A 62 -2.973 -18.120 -3.380 1.00 3.10 C ATOM 979 O PHE A 62 -2.595 -18.106 -4.547 1.00 75.12 O ATOM 980 CB PHE A 62 -3.919 -15.800 -3.817 1.00 23.42 C ATOM 981 CG PHE A 62 -4.563 -14.548 -3.249 1.00 42.11 C ATOM 982 CD1 PHE A 62 -5.949 -14.517 -3.005 1.00 5.32 C ATOM 983 CD2 PHE A 62 -3.774 -13.424 -2.931 1.00 5.14 C ATOM 984 CE1 PHE A 62 -6.543 -13.368 -2.454 1.00 22.23 C ATOM 985 CE2 PHE A 62 -4.371 -12.271 -2.394 1.00 45.14 C ATOM 986 CZ PHE A 62 -5.755 -12.244 -2.152 1.00 15.53 C ATOM 0 H PHE A 62 -1.985 -15.687 -2.256 1.00 43.12 H new ATOM 0 HA PHE A 62 -4.538 -17.180 -2.288 1.00 41.11 H new ATOM 0 HB2 PHE A 62 -2.995 -15.523 -4.324 1.00 23.42 H new ATOM 0 HB3 PHE A 62 -4.581 -16.227 -4.570 1.00 23.42 H new ATOM 0 HD1 PHE A 62 -6.557 -15.378 -3.242 1.00 5.32 H new ATOM 0 HD2 PHE A 62 -2.708 -13.449 -3.101 1.00 5.14 H new ATOM 0 HE1 PHE A 62 -7.606 -13.349 -2.263 1.00 22.23 H new ATOM 0 HE2 PHE A 62 -3.766 -11.405 -2.167 1.00 45.14 H new ATOM 0 HZ PHE A 62 -6.213 -11.360 -1.734 1.00 15.53 H new ATOM 996 N TYR A 63 -2.819 -19.186 -2.587 1.00 21.23 N ATOM 997 CA TYR A 63 -2.014 -20.340 -2.961 1.00 12.03 C ATOM 998 C TYR A 63 -2.834 -21.398 -3.698 1.00 34.11 C ATOM 999 O TYR A 63 -3.880 -21.820 -3.213 1.00 72.53 O ATOM 1000 CB TYR A 63 -1.314 -20.919 -1.722 1.00 32.14 C ATOM 1001 CG TYR A 63 -2.227 -21.564 -0.693 1.00 34.25 C ATOM 1002 CD1 TYR A 63 -2.755 -20.805 0.368 1.00 3.45 C ATOM 1003 CD2 TYR A 63 -2.560 -22.928 -0.804 1.00 32.35 C ATOM 1004 CE1 TYR A 63 -3.641 -21.395 1.285 1.00 40.03 C ATOM 1005 CE2 TYR A 63 -3.429 -23.523 0.126 1.00 0.31 C ATOM 1006 CZ TYR A 63 -3.983 -22.752 1.162 1.00 2.50 C ATOM 1007 OH TYR A 63 -4.854 -23.322 2.044 1.00 34.44 O ATOM 0 H TYR A 63 -3.252 -19.267 -1.667 1.00 21.23 H new ATOM 0 HA TYR A 63 -1.249 -20.006 -3.662 1.00 12.03 H new ATOM 0 HB2 TYR A 63 -0.586 -21.661 -2.051 1.00 32.14 H new ATOM 0 HB3 TYR A 63 -0.756 -20.119 -1.235 1.00 32.14 H new ATOM 0 HD1 TYR A 63 -2.479 -19.767 0.478 1.00 3.45 H new ATOM 0 HD2 TYR A 63 -2.146 -23.519 -1.607 1.00 32.35 H new ATOM 0 HE1 TYR A 63 -4.060 -20.804 2.086 1.00 40.03 H new ATOM 0 HE2 TYR A 63 -3.671 -24.572 0.045 1.00 0.31 H new ATOM 0 HH TYR A 63 -4.981 -24.266 1.814 1.00 34.44 H new ATOM 1017 N LEU A 64 -2.345 -21.833 -4.866 1.00 12.03 N ATOM 1018 CA LEU A 64 -2.900 -22.964 -5.601 1.00 40.11 C ATOM 1019 C LEU A 64 -1.914 -24.132 -5.612 1.00 51.21 C ATOM 1020 O LEU A 64 -0.753 -23.982 -5.232 1.00 1.40 O ATOM 1021 CB LEU A 64 -3.221 -22.548 -7.042 1.00 64.22 C ATOM 1022 CG LEU A 64 -4.369 -21.528 -7.101 1.00 43.32 C ATOM 1023 CD1 LEU A 64 -3.820 -20.121 -7.323 1.00 1.13 C ATOM 1024 CD2 LEU A 64 -5.351 -21.893 -8.218 1.00 2.44 C ATOM 0 H LEU A 64 -1.544 -21.401 -5.328 1.00 12.03 H new ATOM 0 HA LEU A 64 -3.817 -23.281 -5.104 1.00 40.11 H new ATOM 0 HB2 LEU A 64 -2.331 -22.120 -7.503 1.00 64.22 H new ATOM 0 HB3 LEU A 64 -3.489 -23.430 -7.624 1.00 64.22 H new ATOM 0 HG LEU A 64 -4.899 -21.550 -6.149 1.00 43.32 H new ATOM 0 HD11 LEU A 64 -4.646 -19.410 -7.362 1.00 1.13 H new ATOM 0 HD12 LEU A 64 -3.153 -19.857 -6.502 1.00 1.13 H new ATOM 0 HD13 LEU A 64 -3.269 -20.090 -8.263 1.00 1.13 H new ATOM 0 HD21 LEU A 64 -6.158 -21.161 -8.247 1.00 2.44 H new ATOM 0 HD22 LEU A 64 -4.829 -21.895 -9.175 1.00 2.44 H new ATOM 0 HD23 LEU A 64 -5.766 -22.883 -8.029 1.00 2.44 H new ATOM 1036 N LEU A 65 -2.389 -25.277 -6.112 1.00 75.31 N ATOM 1037 CA LEU A 65 -1.583 -26.408 -6.536 1.00 1.20 C ATOM 1038 C LEU A 65 -1.944 -26.670 -7.996 1.00 60.42 C ATOM 1039 O LEU A 65 -3.118 -26.877 -8.294 1.00 11.50 O ATOM 1040 CB LEU A 65 -1.905 -27.619 -5.647 1.00 2.24 C ATOM 1041 CG LEU A 65 -1.131 -28.887 -6.037 1.00 62.32 C ATOM 1042 CD1 LEU A 65 0.379 -28.736 -5.837 1.00 20.34 C ATOM 1043 CD2 LEU A 65 -1.634 -30.073 -5.206 1.00 74.44 C ATOM 0 H LEU A 65 -3.388 -25.440 -6.234 1.00 75.31 H new ATOM 0 HA LEU A 65 -0.514 -26.215 -6.444 1.00 1.20 H new ATOM 0 HB2 LEU A 65 -1.679 -27.369 -4.610 1.00 2.24 H new ATOM 0 HB3 LEU A 65 -2.974 -27.825 -5.700 1.00 2.24 H new ATOM 0 HG LEU A 65 -1.308 -29.060 -7.099 1.00 62.32 H new ATOM 0 HD11 LEU A 65 0.879 -29.660 -6.127 1.00 20.34 H new ATOM 0 HD12 LEU A 65 0.747 -27.915 -6.453 1.00 20.34 H new ATOM 0 HD13 LEU A 65 0.588 -28.525 -4.788 1.00 20.34 H new ATOM 0 HD21 LEU A 65 -1.084 -30.972 -5.484 1.00 74.44 H new ATOM 0 HD22 LEU A 65 -1.480 -29.867 -4.147 1.00 74.44 H new ATOM 0 HD23 LEU A 65 -2.697 -30.225 -5.395 1.00 74.44 H new ATOM 1055 N TYR A 66 -0.953 -26.636 -8.897 1.00 52.51 N ATOM 1056 CA TYR A 66 -1.141 -26.838 -10.329 1.00 71.23 C ATOM 1057 C TYR A 66 -0.551 -28.191 -10.728 1.00 54.12 C ATOM 1058 O TYR A 66 0.651 -28.286 -10.972 1.00 53.35 O ATOM 1059 CB TYR A 66 -0.495 -25.683 -11.103 1.00 25.14 C ATOM 1060 CG TYR A 66 -1.196 -24.349 -10.942 1.00 3.23 C ATOM 1061 CD1 TYR A 66 -2.357 -24.079 -11.688 1.00 21.20 C ATOM 1062 CD2 TYR A 66 -0.649 -23.349 -10.116 1.00 31.33 C ATOM 1063 CE1 TYR A 66 -2.934 -22.799 -11.657 1.00 2.02 C ATOM 1064 CE2 TYR A 66 -1.241 -22.076 -10.066 1.00 21.31 C ATOM 1065 CZ TYR A 66 -2.359 -21.788 -10.868 1.00 63.14 C ATOM 1066 OH TYR A 66 -2.876 -20.525 -10.884 1.00 23.21 O ATOM 0 H TYR A 66 0.019 -26.463 -8.640 1.00 52.51 H new ATOM 0 HA TYR A 66 -2.203 -26.846 -10.574 1.00 71.23 H new ATOM 0 HB2 TYR A 66 0.540 -25.577 -10.776 1.00 25.14 H new ATOM 0 HB3 TYR A 66 -0.470 -25.941 -12.162 1.00 25.14 H new ATOM 0 HD1 TYR A 66 -2.806 -24.858 -12.286 1.00 21.20 H new ATOM 0 HD2 TYR A 66 0.227 -23.561 -9.520 1.00 31.33 H new ATOM 0 HE1 TYR A 66 -3.820 -22.592 -12.239 1.00 2.02 H new ATOM 0 HE2 TYR A 66 -0.837 -21.318 -9.411 1.00 21.31 H new ATOM 0 HH TYR A 66 -2.359 -19.952 -10.280 1.00 23.21 H new ATOM 1076 N TYR A 67 -1.396 -29.234 -10.744 1.00 42.35 N ATOM 1077 CA TYR A 67 -0.955 -30.627 -10.717 1.00 34.53 C ATOM 1078 C TYR A 67 -1.292 -31.367 -12.012 1.00 0.54 C ATOM 1079 O TYR A 67 -2.323 -32.028 -12.105 1.00 61.15 O ATOM 1080 CB TYR A 67 -1.481 -31.336 -9.458 1.00 23.22 C ATOM 1081 CG TYR A 67 -2.989 -31.380 -9.262 1.00 2.31 C ATOM 1082 CD1 TYR A 67 -3.704 -32.573 -9.486 1.00 5.25 C ATOM 1083 CD2 TYR A 67 -3.669 -30.248 -8.776 1.00 75.21 C ATOM 1084 CE1 TYR A 67 -5.095 -32.611 -9.281 1.00 13.12 C ATOM 1085 CE2 TYR A 67 -5.061 -30.278 -8.589 1.00 24.11 C ATOM 1086 CZ TYR A 67 -5.776 -31.461 -8.847 1.00 14.32 C ATOM 1087 OH TYR A 67 -7.129 -31.493 -8.679 1.00 12.11 O ATOM 0 H TYR A 67 -2.410 -29.128 -10.776 1.00 42.35 H new ATOM 0 HA TYR A 67 0.133 -30.637 -10.658 1.00 34.53 H new ATOM 0 HB2 TYR A 67 -1.112 -32.362 -9.469 1.00 23.22 H new ATOM 0 HB3 TYR A 67 -1.042 -30.849 -8.588 1.00 23.22 H new ATOM 0 HD1 TYR A 67 -3.183 -33.460 -9.816 1.00 5.25 H new ATOM 0 HD2 TYR A 67 -3.117 -29.349 -8.545 1.00 75.21 H new ATOM 0 HE1 TYR A 67 -5.641 -33.526 -9.458 1.00 13.12 H new ATOM 0 HE2 TYR A 67 -5.581 -29.395 -8.248 1.00 24.11 H new ATOM 0 HH TYR A 67 -7.442 -30.616 -8.374 1.00 12.11 H new ATOM 1097 N THR A 68 -0.396 -31.284 -13.001 1.00 13.41 N ATOM 1098 CA THR A 68 -0.508 -32.037 -14.246 1.00 25.12 C ATOM 1099 C THR A 68 0.115 -33.427 -14.083 1.00 63.31 C ATOM 1100 O THR A 68 1.094 -33.582 -13.355 1.00 64.24 O ATOM 1101 CB THR A 68 0.134 -31.260 -15.407 1.00 15.21 C ATOM 1102 OG1 THR A 68 -0.078 -31.974 -16.607 1.00 1.42 O ATOM 1103 CG2 THR A 68 1.637 -31.016 -15.225 1.00 72.23 C ATOM 0 H THR A 68 0.431 -30.688 -12.956 1.00 13.41 H new ATOM 0 HA THR A 68 -1.563 -32.171 -14.485 1.00 25.12 H new ATOM 0 HB THR A 68 -0.341 -30.279 -15.435 1.00 15.21 H new ATOM 0 HG1 THR A 68 0.786 -32.207 -17.006 1.00 1.42 H new ATOM 0 HG21 THR A 68 2.022 -30.463 -16.082 1.00 72.23 H new ATOM 0 HG22 THR A 68 1.804 -30.439 -14.315 1.00 72.23 H new ATOM 0 HG23 THR A 68 2.154 -31.972 -15.148 1.00 72.23 H new ATOM 1111 N GLU A 69 -0.447 -34.426 -14.780 1.00 34.42 N ATOM 1112 CA GLU A 69 0.062 -35.791 -14.799 1.00 33.41 C ATOM 1113 C GLU A 69 1.118 -35.927 -15.897 1.00 12.00 C ATOM 1114 O GLU A 69 0.779 -36.079 -17.070 1.00 40.03 O ATOM 1115 CB GLU A 69 -1.093 -36.782 -15.004 1.00 52.41 C ATOM 1116 CG GLU A 69 -0.593 -38.221 -14.817 1.00 22.32 C ATOM 1117 CD GLU A 69 -1.734 -39.231 -14.880 1.00 15.43 C ATOM 1118 OE1 GLU A 69 -2.266 -39.419 -15.995 1.00 4.22 O ATOM 1119 OE2 GLU A 69 -2.047 -39.808 -13.815 1.00 0.11 O ATOM 0 H GLU A 69 -1.281 -34.298 -15.353 1.00 34.42 H new ATOM 0 HA GLU A 69 0.531 -36.022 -13.843 1.00 33.41 H new ATOM 0 HB2 GLU A 69 -1.893 -36.572 -14.294 1.00 52.41 H new ATOM 0 HB3 GLU A 69 -1.513 -36.662 -16.003 1.00 52.41 H new ATOM 0 HG2 GLU A 69 0.141 -38.454 -15.588 1.00 22.32 H new ATOM 0 HG3 GLU A 69 -0.084 -38.307 -13.857 1.00 22.32 H new ATOM 1126 N PHE A 70 2.397 -35.866 -15.511 1.00 53.31 N ATOM 1127 CA PHE A 70 3.533 -35.921 -16.415 1.00 13.32 C ATOM 1128 C PHE A 70 4.145 -37.324 -16.481 1.00 13.21 C ATOM 1129 O PHE A 70 4.323 -37.971 -15.450 1.00 22.12 O ATOM 1130 CB PHE A 70 4.578 -34.888 -15.981 1.00 51.04 C ATOM 1131 CG PHE A 70 5.451 -35.244 -14.791 1.00 12.50 C ATOM 1132 CD1 PHE A 70 5.033 -34.929 -13.487 1.00 43.44 C ATOM 1133 CD2 PHE A 70 6.731 -35.789 -14.997 1.00 53.25 C ATOM 1134 CE1 PHE A 70 5.906 -35.111 -12.401 1.00 31.32 C ATOM 1135 CE2 PHE A 70 7.594 -35.993 -13.909 1.00 53.33 C ATOM 1136 CZ PHE A 70 7.188 -35.642 -12.611 1.00 55.12 C ATOM 0 H PHE A 70 2.670 -35.775 -14.532 1.00 53.31 H new ATOM 0 HA PHE A 70 3.184 -35.684 -17.420 1.00 13.32 H new ATOM 0 HB2 PHE A 70 5.230 -34.689 -16.831 1.00 51.04 H new ATOM 0 HB3 PHE A 70 4.059 -33.957 -15.753 1.00 51.04 H new ATOM 0 HD1 PHE A 70 4.037 -34.546 -13.319 1.00 43.44 H new ATOM 0 HD2 PHE A 70 7.051 -36.051 -15.995 1.00 53.25 H new ATOM 0 HE1 PHE A 70 5.590 -34.842 -11.404 1.00 31.32 H new ATOM 0 HE2 PHE A 70 8.572 -36.421 -14.070 1.00 53.33 H new ATOM 0 HZ PHE A 70 7.860 -35.780 -11.777 1.00 55.12 H new ATOM 1146 N THR A 71 4.485 -37.771 -17.698 1.00 21.33 N ATOM 1147 CA THR A 71 5.190 -39.020 -17.958 1.00 43.14 C ATOM 1148 C THR A 71 6.607 -38.692 -18.452 1.00 1.03 C ATOM 1149 O THR A 71 6.762 -38.358 -19.625 1.00 31.10 O ATOM 1150 CB THR A 71 4.401 -39.826 -19.003 1.00 4.52 C ATOM 1151 OG1 THR A 71 3.084 -40.036 -18.534 1.00 12.22 O ATOM 1152 CG2 THR A 71 5.049 -41.192 -19.259 1.00 43.02 C ATOM 0 H THR A 71 4.268 -37.253 -18.549 1.00 21.33 H new ATOM 0 HA THR A 71 5.272 -39.621 -17.052 1.00 43.14 H new ATOM 0 HB THR A 71 4.396 -39.258 -19.934 1.00 4.52 H new ATOM 0 HG1 THR A 71 2.578 -40.548 -19.199 1.00 12.22 H new ATOM 0 HG21 THR A 71 4.467 -41.737 -20.002 1.00 43.02 H new ATOM 0 HG22 THR A 71 6.065 -41.049 -19.627 1.00 43.02 H new ATOM 0 HG23 THR A 71 5.076 -41.762 -18.330 1.00 43.02 H new ATOM 1160 N PRO A 72 7.640 -38.759 -17.595 1.00 34.43 N ATOM 1161 CA PRO A 72 8.996 -38.349 -17.927 1.00 33.44 C ATOM 1162 C PRO A 72 9.709 -39.463 -18.695 1.00 15.03 C ATOM 1163 O PRO A 72 10.507 -40.201 -18.122 1.00 20.13 O ATOM 1164 CB PRO A 72 9.655 -38.046 -16.578 1.00 21.43 C ATOM 1165 CG PRO A 72 8.974 -39.038 -15.635 1.00 52.02 C ATOM 1166 CD PRO A 72 7.568 -39.191 -16.212 1.00 34.14 C ATOM 0 HA PRO A 72 9.034 -37.476 -18.579 1.00 33.44 H new ATOM 0 HB2 PRO A 72 10.734 -38.197 -16.612 1.00 21.43 H new ATOM 0 HB3 PRO A 72 9.487 -37.014 -16.269 1.00 21.43 H new ATOM 0 HG2 PRO A 72 9.501 -39.992 -15.610 1.00 52.02 H new ATOM 0 HG3 PRO A 72 8.947 -38.662 -14.612 1.00 52.02 H new ATOM 0 HD2 PRO A 72 7.232 -40.226 -16.146 1.00 34.14 H new ATOM 0 HD3 PRO A 72 6.852 -38.587 -15.654 1.00 34.14 H new ATOM 1174 N THR A 73 9.410 -39.580 -19.995 1.00 63.32 N ATOM 1175 CA THR A 73 9.873 -40.664 -20.853 1.00 43.14 C ATOM 1176 C THR A 73 11.395 -40.808 -20.787 1.00 15.41 C ATOM 1177 O THR A 73 11.890 -41.860 -20.384 1.00 11.41 O ATOM 1178 CB THR A 73 9.379 -40.439 -22.291 1.00 32.33 C ATOM 1179 OG1 THR A 73 7.978 -40.245 -22.290 1.00 75.34 O ATOM 1180 CG2 THR A 73 9.707 -41.641 -23.183 1.00 43.52 C ATOM 0 H THR A 73 8.825 -38.904 -20.486 1.00 63.32 H new ATOM 0 HA THR A 73 9.453 -41.604 -20.494 1.00 43.14 H new ATOM 0 HB THR A 73 9.885 -39.557 -22.684 1.00 32.33 H new ATOM 0 HG1 THR A 73 7.779 -39.298 -22.135 1.00 75.34 H new ATOM 0 HG21 THR A 73 9.346 -41.453 -24.194 1.00 43.52 H new ATOM 0 HG22 THR A 73 10.786 -41.793 -23.206 1.00 43.52 H new ATOM 0 HG23 THR A 73 9.223 -42.533 -22.785 1.00 43.52 H new ATOM 1188 N GLU A 74 12.125 -39.749 -21.159 1.00 33.51 N ATOM 1189 CA GLU A 74 13.576 -39.694 -21.057 1.00 4.04 C ATOM 1190 C GLU A 74 14.037 -38.240 -21.158 1.00 32.24 C ATOM 1191 O GLU A 74 14.528 -37.675 -20.182 1.00 3.23 O ATOM 1192 CB GLU A 74 14.225 -40.590 -22.129 1.00 40.14 C ATOM 1193 CG GLU A 74 15.756 -40.618 -22.025 1.00 33.12 C ATOM 1194 CD GLU A 74 16.231 -41.178 -20.686 1.00 60.11 C ATOM 1195 OE1 GLU A 74 16.855 -40.399 -19.933 1.00 13.00 O ATOM 1196 OE2 GLU A 74 15.962 -42.374 -20.442 1.00 54.54 O ATOM 0 H GLU A 74 11.713 -38.899 -21.543 1.00 33.51 H new ATOM 0 HA GLU A 74 13.895 -40.080 -20.089 1.00 4.04 H new ATOM 0 HB2 GLU A 74 13.839 -41.605 -22.032 1.00 40.14 H new ATOM 0 HB3 GLU A 74 13.938 -40.233 -23.118 1.00 40.14 H new ATOM 0 HG2 GLU A 74 16.163 -41.223 -22.835 1.00 33.12 H new ATOM 0 HG3 GLU A 74 16.146 -39.608 -22.154 1.00 33.12 H new ATOM 1203 N LYS A 75 13.879 -37.641 -22.346 1.00 44.32 N ATOM 1204 CA LYS A 75 14.317 -36.284 -22.651 1.00 65.14 C ATOM 1205 C LYS A 75 13.251 -35.228 -22.328 1.00 2.32 C ATOM 1206 O LYS A 75 13.481 -34.049 -22.592 1.00 3.43 O ATOM 1207 CB LYS A 75 14.726 -36.220 -24.133 1.00 2.12 C ATOM 1208 CG LYS A 75 16.092 -36.879 -24.378 1.00 44.53 C ATOM 1209 CD LYS A 75 17.254 -35.882 -24.527 1.00 3.40 C ATOM 1210 CE LYS A 75 17.604 -35.079 -23.266 1.00 12.35 C ATOM 1211 NZ LYS A 75 16.699 -33.935 -23.043 1.00 51.23 N ATOM 0 H LYS A 75 13.431 -38.103 -23.137 1.00 44.32 H new ATOM 0 HA LYS A 75 15.170 -36.049 -22.015 1.00 65.14 H new ATOM 0 HB2 LYS A 75 13.969 -36.716 -24.740 1.00 2.12 H new ATOM 0 HB3 LYS A 75 14.762 -35.179 -24.455 1.00 2.12 H new ATOM 0 HG2 LYS A 75 16.311 -37.554 -23.551 1.00 44.53 H new ATOM 0 HG3 LYS A 75 16.033 -37.488 -25.280 1.00 44.53 H new ATOM 0 HD2 LYS A 75 18.141 -36.430 -24.845 1.00 3.40 H new ATOM 0 HD3 LYS A 75 17.008 -35.182 -25.326 1.00 3.40 H new ATOM 0 HE2 LYS A 75 17.567 -35.739 -22.399 1.00 12.35 H new ATOM 0 HE3 LYS A 75 18.628 -34.715 -23.346 1.00 12.35 H new ATOM 0 HZ1 LYS A 75 17.253 -33.108 -22.742 1.00 51.23 H new ATOM 0 HZ2 LYS A 75 16.197 -33.713 -23.926 1.00 51.23 H new ATOM 0 HZ3 LYS A 75 16.009 -34.177 -22.304 1.00 51.23 H new ATOM 1225 N ASP A 76 12.103 -35.622 -21.755 1.00 2.20 N ATOM 1226 CA ASP A 76 11.025 -34.698 -21.434 1.00 11.13 C ATOM 1227 C ASP A 76 11.437 -33.785 -20.276 1.00 23.12 C ATOM 1228 O ASP A 76 11.661 -34.264 -19.164 1.00 52.13 O ATOM 1229 CB ASP A 76 9.749 -35.466 -21.073 1.00 43.44 C ATOM 1230 CG ASP A 76 9.242 -36.404 -22.168 1.00 64.32 C ATOM 1231 OD1 ASP A 76 8.521 -37.355 -21.797 1.00 34.13 O ATOM 1232 OD2 ASP A 76 9.566 -36.154 -23.350 1.00 40.01 O ATOM 0 H ASP A 76 11.905 -36.591 -21.505 1.00 2.20 H new ATOM 0 HA ASP A 76 10.824 -34.084 -22.312 1.00 11.13 H new ATOM 0 HB2 ASP A 76 9.934 -36.048 -20.170 1.00 43.44 H new ATOM 0 HB3 ASP A 76 8.964 -34.749 -20.834 1.00 43.44 H new ATOM 1237 N GLU A 77 11.531 -32.476 -20.545 1.00 1.03 N ATOM 1238 CA GLU A 77 11.929 -31.450 -19.590 1.00 12.23 C ATOM 1239 C GLU A 77 10.721 -30.574 -19.245 1.00 60.14 C ATOM 1240 O GLU A 77 10.212 -29.844 -20.091 1.00 42.43 O ATOM 1241 CB GLU A 77 13.126 -30.649 -20.133 1.00 11.13 C ATOM 1242 CG GLU A 77 12.960 -30.114 -21.564 1.00 60.32 C ATOM 1243 CD GLU A 77 14.237 -29.433 -22.045 1.00 33.42 C ATOM 1244 OE1 GLU A 77 15.072 -30.147 -22.642 1.00 11.12 O ATOM 1245 OE2 GLU A 77 14.360 -28.213 -21.802 1.00 60.41 O ATOM 0 H GLU A 77 11.323 -32.096 -21.468 1.00 1.03 H new ATOM 0 HA GLU A 77 12.266 -31.910 -18.661 1.00 12.23 H new ATOM 0 HB2 GLU A 77 13.311 -29.807 -19.467 1.00 11.13 H new ATOM 0 HB3 GLU A 77 14.012 -31.283 -20.100 1.00 11.13 H new ATOM 0 HG2 GLU A 77 12.706 -30.934 -22.235 1.00 60.32 H new ATOM 0 HG3 GLU A 77 12.132 -29.406 -21.598 1.00 60.32 H new ATOM 1252 N TYR A 78 10.243 -30.670 -17.999 1.00 74.11 N ATOM 1253 CA TYR A 78 9.028 -30.005 -17.546 1.00 1.44 C ATOM 1254 C TYR A 78 9.351 -28.636 -16.956 1.00 14.12 C ATOM 1255 O TYR A 78 10.398 -28.455 -16.334 1.00 42.24 O ATOM 1256 CB TYR A 78 8.309 -30.893 -16.527 1.00 11.22 C ATOM 1257 CG TYR A 78 7.860 -32.206 -17.132 1.00 1.41 C ATOM 1258 CD1 TYR A 78 6.643 -32.261 -17.834 1.00 44.02 C ATOM 1259 CD2 TYR A 78 8.749 -33.295 -17.193 1.00 2.31 C ATOM 1260 CE1 TYR A 78 6.328 -33.393 -18.602 1.00 44.01 C ATOM 1261 CE2 TYR A 78 8.436 -34.421 -17.970 1.00 65.51 C ATOM 1262 CZ TYR A 78 7.224 -34.469 -18.680 1.00 63.34 C ATOM 1263 OH TYR A 78 6.895 -35.553 -19.439 1.00 4.00 O ATOM 0 H TYR A 78 10.699 -31.220 -17.272 1.00 74.11 H new ATOM 0 HA TYR A 78 8.367 -29.846 -18.398 1.00 1.44 H new ATOM 0 HB2 TYR A 78 8.974 -31.090 -15.686 1.00 11.22 H new ATOM 0 HB3 TYR A 78 7.443 -30.362 -16.131 1.00 11.22 H new ATOM 0 HD1 TYR A 78 5.951 -31.433 -17.782 1.00 44.02 H new ATOM 0 HD2 TYR A 78 9.676 -33.264 -16.640 1.00 2.31 H new ATOM 0 HE1 TYR A 78 5.390 -33.436 -19.136 1.00 44.01 H new ATOM 0 HE2 TYR A 78 9.126 -35.250 -18.022 1.00 65.51 H new ATOM 0 HH TYR A 78 6.325 -35.270 -20.184 1.00 4.00 H new ATOM 1273 N ALA A 79 8.446 -27.671 -17.167 1.00 53.42 N ATOM 1274 CA ALA A 79 8.633 -26.302 -16.722 1.00 13.04 C ATOM 1275 C ALA A 79 7.291 -25.604 -16.533 1.00 34.13 C ATOM 1276 O ALA A 79 6.536 -25.441 -17.490 1.00 72.13 O ATOM 1277 CB ALA A 79 9.484 -25.537 -17.742 1.00 43.22 C ATOM 0 H ALA A 79 7.564 -27.828 -17.654 1.00 53.42 H new ATOM 0 HA ALA A 79 9.147 -26.318 -15.761 1.00 13.04 H new ATOM 0 HB1 ALA A 79 9.622 -24.510 -17.404 1.00 43.22 H new ATOM 0 HB2 ALA A 79 10.456 -26.020 -17.840 1.00 43.22 H new ATOM 0 HB3 ALA A 79 8.980 -25.536 -18.709 1.00 43.22 H new ATOM 1283 N CYS A 80 7.025 -25.148 -15.303 1.00 4.15 N ATOM 1284 CA CYS A 80 5.930 -24.239 -15.014 1.00 31.31 C ATOM 1285 C CYS A 80 6.381 -22.818 -15.362 1.00 4.25 C ATOM 1286 O CYS A 80 7.390 -22.339 -14.849 1.00 73.34 O ATOM 1287 CB CYS A 80 5.457 -24.421 -13.564 1.00 1.14 C ATOM 1288 SG CYS A 80 4.451 -25.923 -13.367 1.00 13.32 S ATOM 0 H CYS A 80 7.572 -25.406 -14.481 1.00 4.15 H new ATOM 0 HA CYS A 80 5.054 -24.456 -15.626 1.00 31.31 H new ATOM 0 HB2 CYS A 80 6.322 -24.473 -12.903 1.00 1.14 H new ATOM 0 HB3 CYS A 80 4.875 -23.551 -13.259 1.00 1.14 H new ATOM 1293 N ARG A 81 5.650 -22.181 -16.285 1.00 5.03 N ATOM 1294 CA ARG A 81 5.926 -20.862 -16.834 1.00 1.35 C ATOM 1295 C ARG A 81 5.146 -19.866 -15.987 1.00 73.32 C ATOM 1296 O ARG A 81 3.967 -19.621 -16.240 1.00 52.12 O ATOM 1297 CB ARG A 81 5.510 -20.847 -18.312 1.00 71.13 C ATOM 1298 CG ARG A 81 5.503 -19.452 -18.948 1.00 14.30 C ATOM 1299 CD ARG A 81 5.314 -19.560 -20.462 1.00 4.32 C ATOM 1300 NE ARG A 81 5.262 -18.224 -21.075 1.00 0.33 N ATOM 1301 CZ ARG A 81 4.265 -17.702 -21.812 1.00 11.01 C ATOM 1302 NH1 ARG A 81 3.146 -18.387 -22.095 1.00 34.42 N ATOM 1303 NH2 ARG A 81 4.395 -16.454 -22.282 1.00 51.34 N ATOM 0 H ARG A 81 4.809 -22.599 -16.684 1.00 5.03 H new ATOM 0 HA ARG A 81 6.983 -20.599 -16.803 1.00 1.35 H new ATOM 0 HB2 ARG A 81 6.188 -21.488 -18.875 1.00 71.13 H new ATOM 0 HB3 ARG A 81 4.514 -21.280 -18.402 1.00 71.13 H new ATOM 0 HG2 ARG A 81 4.702 -18.852 -18.516 1.00 14.30 H new ATOM 0 HG3 ARG A 81 6.439 -18.939 -18.727 1.00 14.30 H new ATOM 0 HD2 ARG A 81 6.133 -20.133 -20.896 1.00 4.32 H new ATOM 0 HD3 ARG A 81 4.394 -20.102 -20.681 1.00 4.32 H new ATOM 0 HE ARG A 81 6.074 -17.625 -20.924 1.00 0.33 H new ATOM 0 HH11 ARG A 81 3.029 -19.339 -21.748 1.00 34.42 H new ATOM 0 HH12 ARG A 81 2.412 -17.956 -22.657 1.00 34.42 H new ATOM 0 HH21 ARG A 81 5.239 -15.918 -22.079 1.00 51.34 H new ATOM 0 HH22 ARG A 81 3.650 -16.040 -22.843 1.00 51.34 H new ATOM 1317 N VAL A 82 5.797 -19.341 -14.946 1.00 61.45 N ATOM 1318 CA VAL A 82 5.137 -18.579 -13.904 1.00 73.15 C ATOM 1319 C VAL A 82 5.169 -17.100 -14.290 1.00 51.52 C ATOM 1320 O VAL A 82 5.978 -16.330 -13.773 1.00 20.20 O ATOM 1321 CB VAL A 82 5.787 -18.884 -12.539 1.00 43.05 C ATOM 1322 CG1 VAL A 82 4.987 -18.226 -11.411 1.00 0.01 C ATOM 1323 CG2 VAL A 82 5.814 -20.394 -12.260 1.00 44.13 C ATOM 0 H VAL A 82 6.803 -19.438 -14.809 1.00 61.45 H new ATOM 0 HA VAL A 82 4.090 -18.864 -13.803 1.00 73.15 H new ATOM 0 HB VAL A 82 6.804 -18.493 -12.575 1.00 43.05 H new ATOM 0 HG11 VAL A 82 5.457 -18.450 -10.453 1.00 0.01 H new ATOM 0 HG12 VAL A 82 4.966 -17.147 -11.562 1.00 0.01 H new ATOM 0 HG13 VAL A 82 3.968 -18.613 -11.414 1.00 0.01 H new ATOM 0 HG21 VAL A 82 6.278 -20.577 -11.291 1.00 44.13 H new ATOM 0 HG22 VAL A 82 4.795 -20.781 -12.253 1.00 44.13 H new ATOM 0 HG23 VAL A 82 6.388 -20.898 -13.038 1.00 44.13 H new ATOM 1333 N ASN A 83 4.274 -16.704 -15.204 1.00 61.35 N ATOM 1334 CA ASN A 83 4.081 -15.307 -15.566 1.00 5.11 C ATOM 1335 C ASN A 83 3.129 -14.682 -14.548 1.00 15.32 C ATOM 1336 O ASN A 83 2.267 -15.366 -14.000 1.00 41.53 O ATOM 1337 CB ASN A 83 3.517 -15.179 -16.988 1.00 71.33 C ATOM 1338 CG ASN A 83 4.472 -15.666 -18.076 1.00 60.53 C ATOM 1339 OD1 ASN A 83 5.308 -16.533 -17.843 1.00 54.44 O ATOM 1340 ND2 ASN A 83 4.342 -15.107 -19.282 1.00 15.32 N ATOM 0 H ASN A 83 3.666 -17.349 -15.710 1.00 61.35 H new ATOM 0 HA ASN A 83 5.038 -14.786 -15.553 1.00 5.11 H new ATOM 0 HB2 ASN A 83 2.588 -15.746 -17.053 1.00 71.33 H new ATOM 0 HB3 ASN A 83 3.267 -14.135 -17.177 1.00 71.33 H new ATOM 0 HD21 ASN A 83 4.950 -15.398 -20.047 1.00 15.32 H new ATOM 0 HD22 ASN A 83 3.635 -14.389 -19.438 1.00 15.32 H new ATOM 1347 N HIS A 84 3.299 -13.384 -14.288 1.00 0.00 N ATOM 1348 CA HIS A 84 2.507 -12.623 -13.332 1.00 0.00 C ATOM 1349 C HIS A 84 2.582 -11.150 -13.734 1.00 0.00 C ATOM 1350 O HIS A 84 3.487 -10.764 -14.472 1.00 0.00 O ATOM 1351 CB HIS A 84 3.055 -12.883 -11.920 1.00 0.00 C ATOM 1352 CG HIS A 84 2.348 -12.168 -10.794 1.00 0.00 C ATOM 1353 ND1 HIS A 84 3.028 -11.262 -9.987 1.00 0.00 N ATOM 1354 CD2 HIS A 84 1.073 -12.309 -10.311 1.00 0.00 C ATOM 1355 CE1 HIS A 84 2.146 -10.888 -9.060 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.950 -11.476 -9.219 1.00 0.00 N ATOM 0 H HIS A 84 4.012 -12.822 -14.752 1.00 0.00 H new ATOM 0 HA HIS A 84 1.459 -12.923 -13.331 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.012 -13.955 -11.727 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.107 -12.597 -11.902 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.305 -12.954 -10.712 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.369 -10.189 -8.268 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.117 -11.335 -8.647 1.00 0.00 H new ATOM 1364 N VAL A 85 1.627 -10.329 -13.276 1.00 11.01 N ATOM 1365 CA VAL A 85 1.569 -8.912 -13.627 1.00 15.03 C ATOM 1366 C VAL A 85 2.876 -8.183 -13.288 1.00 51.05 C ATOM 1367 O VAL A 85 3.290 -7.297 -14.035 1.00 40.24 O ATOM 1368 CB VAL A 85 0.324 -8.245 -13.012 1.00 23.40 C ATOM 1369 CG1 VAL A 85 0.293 -8.311 -11.479 1.00 3.10 C ATOM 1370 CG2 VAL A 85 0.202 -6.781 -13.454 1.00 5.24 C ATOM 0 H VAL A 85 0.877 -10.632 -12.654 1.00 11.01 H new ATOM 0 HA VAL A 85 1.464 -8.834 -14.709 1.00 15.03 H new ATOM 0 HB VAL A 85 -0.525 -8.818 -13.385 1.00 23.40 H new ATOM 0 HG11 VAL A 85 -0.610 -7.823 -11.112 1.00 3.10 H new ATOM 0 HG12 VAL A 85 0.298 -9.353 -11.160 1.00 3.10 H new ATOM 0 HG13 VAL A 85 1.169 -7.804 -11.075 1.00 3.10 H new ATOM 0 HG21 VAL A 85 -0.686 -6.338 -13.004 1.00 5.24 H new ATOM 0 HG22 VAL A 85 1.086 -6.229 -13.133 1.00 5.24 H new ATOM 0 HG23 VAL A 85 0.120 -6.734 -14.540 1.00 5.24 H new ATOM 1380 N THR A 86 3.545 -8.575 -12.195 1.00 73.21 N ATOM 1381 CA THR A 86 4.835 -8.021 -11.813 1.00 20.31 C ATOM 1382 C THR A 86 5.941 -8.550 -12.731 1.00 54.05 C ATOM 1383 O THR A 86 6.782 -7.779 -13.188 1.00 25.22 O ATOM 1384 CB THR A 86 5.140 -8.315 -10.336 1.00 71.44 C ATOM 1385 OG1 THR A 86 5.379 -9.688 -10.115 1.00 73.24 O ATOM 1386 CG2 THR A 86 4.002 -7.843 -9.428 1.00 52.24 C ATOM 0 H THR A 86 3.198 -9.289 -11.554 1.00 73.21 H new ATOM 0 HA THR A 86 4.795 -6.938 -11.930 1.00 20.31 H new ATOM 0 HB THR A 86 6.045 -7.761 -10.088 1.00 71.44 H new ATOM 0 HG1 THR A 86 4.542 -10.129 -9.860 1.00 73.24 H new ATOM 0 HG21 THR A 86 4.249 -8.066 -8.390 1.00 52.24 H new ATOM 0 HG22 THR A 86 3.864 -6.768 -9.546 1.00 52.24 H new ATOM 0 HG23 THR A 86 3.081 -8.359 -9.701 1.00 52.24 H new ATOM 1394 N LEU A 87 5.939 -9.866 -12.989 1.00 74.21 N ATOM 1395 CA LEU A 87 6.956 -10.535 -13.783 1.00 11.04 C ATOM 1396 C LEU A 87 6.610 -10.400 -15.266 1.00 61.42 C ATOM 1397 O LEU A 87 6.013 -11.300 -15.857 1.00 71.21 O ATOM 1398 CB LEU A 87 7.088 -12.011 -13.376 1.00 22.11 C ATOM 1399 CG LEU A 87 7.145 -12.249 -11.856 1.00 44.42 C ATOM 1400 CD1 LEU A 87 7.162 -13.755 -11.571 1.00 43.31 C ATOM 1401 CD2 LEU A 87 8.357 -11.573 -11.207 1.00 53.04 C ATOM 0 H LEU A 87 5.216 -10.497 -12.643 1.00 74.21 H new ATOM 0 HA LEU A 87 7.921 -10.062 -13.601 1.00 11.04 H new ATOM 0 HB2 LEU A 87 6.244 -12.565 -13.787 1.00 22.11 H new ATOM 0 HB3 LEU A 87 7.990 -12.421 -13.830 1.00 22.11 H new ATOM 0 HG LEU A 87 6.255 -11.799 -11.417 1.00 44.42 H new ATOM 0 HD11 LEU A 87 7.202 -13.921 -10.494 1.00 43.31 H new ATOM 0 HD12 LEU A 87 6.259 -14.212 -11.975 1.00 43.31 H new ATOM 0 HD13 LEU A 87 8.037 -14.204 -12.041 1.00 43.31 H new ATOM 0 HD21 LEU A 87 8.353 -11.770 -10.135 1.00 53.04 H new ATOM 0 HD22 LEU A 87 9.273 -11.970 -11.645 1.00 53.04 H new ATOM 0 HD23 LEU A 87 8.309 -10.498 -11.378 1.00 53.04 H new ATOM 1413 N SER A 88 7.016 -9.278 -15.872 1.00 12.44 N ATOM 1414 CA SER A 88 6.885 -9.046 -17.304 1.00 41.32 C ATOM 1415 C SER A 88 7.529 -10.184 -18.102 1.00 31.44 C ATOM 1416 O SER A 88 6.994 -10.589 -19.133 1.00 14.30 O ATOM 1417 CB SER A 88 7.519 -7.699 -17.665 1.00 1.00 C ATOM 1418 OG SER A 88 6.915 -6.663 -16.919 1.00 0.01 O ATOM 0 H SER A 88 7.448 -8.501 -15.371 1.00 12.44 H new ATOM 0 HA SER A 88 5.827 -9.020 -17.563 1.00 41.32 H new ATOM 0 HB2 SER A 88 8.590 -7.726 -17.463 1.00 1.00 H new ATOM 0 HB3 SER A 88 7.401 -7.507 -18.731 1.00 1.00 H new ATOM 0 HG SER A 88 7.328 -5.806 -17.155 1.00 0.01 H new ATOM 1424 N GLN A 89 8.663 -10.705 -17.611 1.00 71.42 N ATOM 1425 CA GLN A 89 9.392 -11.796 -18.240 1.00 73.41 C ATOM 1426 C GLN A 89 8.920 -13.133 -17.653 1.00 52.32 C ATOM 1427 O GLN A 89 8.580 -13.190 -16.470 1.00 31.12 O ATOM 1428 CB GLN A 89 10.906 -11.600 -18.072 1.00 22.23 C ATOM 1429 CG GLN A 89 11.348 -11.379 -16.620 1.00 31.30 C ATOM 1430 CD GLN A 89 12.859 -11.533 -16.461 1.00 51.51 C ATOM 1431 OE1 GLN A 89 13.317 -12.342 -15.657 1.00 60.14 O ATOM 1432 NE2 GLN A 89 13.637 -10.760 -17.223 1.00 35.20 N ATOM 0 H GLN A 89 9.099 -10.369 -16.752 1.00 71.42 H new ATOM 0 HA GLN A 89 9.187 -11.803 -19.310 1.00 73.41 H new ATOM 0 HB2 GLN A 89 11.422 -12.474 -18.469 1.00 22.23 H new ATOM 0 HB3 GLN A 89 11.220 -10.745 -18.671 1.00 22.23 H new ATOM 0 HG2 GLN A 89 11.047 -10.383 -16.296 1.00 31.30 H new ATOM 0 HG3 GLN A 89 10.839 -12.092 -15.972 1.00 31.30 H new ATOM 0 HE21 GLN A 89 13.216 -10.101 -17.878 1.00 35.20 H new ATOM 0 HE22 GLN A 89 14.652 -10.829 -17.150 1.00 35.20 H new ATOM 1441 N PRO A 90 8.889 -14.210 -18.454 1.00 62.54 N ATOM 1442 CA PRO A 90 8.397 -15.505 -18.020 1.00 31.23 C ATOM 1443 C PRO A 90 9.440 -16.230 -17.168 1.00 64.32 C ATOM 1444 O PRO A 90 10.593 -16.364 -17.578 1.00 12.33 O ATOM 1445 CB PRO A 90 8.110 -16.269 -19.315 1.00 34.30 C ATOM 1446 CG PRO A 90 9.142 -15.705 -20.290 1.00 72.23 C ATOM 1447 CD PRO A 90 9.223 -14.237 -19.870 1.00 42.01 C ATOM 0 HA PRO A 90 7.509 -15.419 -17.394 1.00 31.23 H new ATOM 0 HB2 PRO A 90 8.227 -17.345 -19.182 1.00 34.30 H new ATOM 0 HB3 PRO A 90 7.092 -16.100 -19.665 1.00 34.30 H new ATOM 0 HG2 PRO A 90 10.105 -16.208 -20.198 1.00 72.23 H new ATOM 0 HG3 PRO A 90 8.823 -15.814 -21.327 1.00 72.23 H new ATOM 0 HD2 PRO A 90 10.221 -13.835 -20.044 1.00 42.01 H new ATOM 0 HD3 PRO A 90 8.529 -13.626 -20.447 1.00 42.01 H new ATOM 1455 N LYS A 91 9.027 -16.717 -15.991 1.00 32.50 N ATOM 1456 CA LYS A 91 9.842 -17.588 -15.158 1.00 51.11 C ATOM 1457 C LYS A 91 9.619 -19.020 -15.631 1.00 42.34 C ATOM 1458 O LYS A 91 8.729 -19.707 -15.135 1.00 71.35 O ATOM 1459 CB LYS A 91 9.474 -17.406 -13.675 1.00 71.23 C ATOM 1460 CG LYS A 91 10.392 -16.415 -12.952 1.00 3.10 C ATOM 1461 CD LYS A 91 10.491 -15.048 -13.637 1.00 32.22 C ATOM 1462 CE LYS A 91 11.261 -14.093 -12.720 1.00 31.30 C ATOM 1463 NZ LYS A 91 11.442 -12.772 -13.341 1.00 52.04 N ATOM 0 H LYS A 91 8.110 -16.512 -15.594 1.00 32.50 H new ATOM 0 HA LYS A 91 10.899 -17.339 -15.249 1.00 51.11 H new ATOM 0 HB2 LYS A 91 8.443 -17.059 -13.601 1.00 71.23 H new ATOM 0 HB3 LYS A 91 9.522 -18.372 -13.172 1.00 71.23 H new ATOM 0 HG2 LYS A 91 10.029 -16.275 -11.934 1.00 3.10 H new ATOM 0 HG3 LYS A 91 11.390 -16.847 -12.878 1.00 3.10 H new ATOM 0 HD2 LYS A 91 10.999 -15.142 -14.597 1.00 32.22 H new ATOM 0 HD3 LYS A 91 9.495 -14.655 -13.841 1.00 32.22 H new ATOM 0 HE2 LYS A 91 10.725 -13.982 -11.777 1.00 31.30 H new ATOM 0 HE3 LYS A 91 12.235 -14.521 -12.484 1.00 31.30 H new ATOM 0 HZ1 LYS A 91 11.797 -12.100 -12.631 1.00 52.04 H new ATOM 0 HZ2 LYS A 91 12.126 -12.846 -14.121 1.00 52.04 H new ATOM 0 HZ3 LYS A 91 10.531 -12.435 -13.711 1.00 52.04 H new ATOM 1477 N ILE A 92 10.440 -19.463 -16.592 1.00 65.42 N ATOM 1478 CA ILE A 92 10.473 -20.843 -17.047 1.00 34.53 C ATOM 1479 C ILE A 92 11.211 -21.645 -15.971 1.00 62.25 C ATOM 1480 O ILE A 92 12.430 -21.796 -16.029 1.00 71.54 O ATOM 1481 CB ILE A 92 11.144 -20.934 -18.433 1.00 31.40 C ATOM 1482 CG1 ILE A 92 10.530 -19.976 -19.475 1.00 63.34 C ATOM 1483 CG2 ILE A 92 11.112 -22.378 -18.956 1.00 71.53 C ATOM 1484 CD1 ILE A 92 9.036 -20.189 -19.738 1.00 32.34 C ATOM 0 H ILE A 92 11.105 -18.859 -17.076 1.00 65.42 H new ATOM 0 HA ILE A 92 9.472 -21.254 -17.178 1.00 34.53 H new ATOM 0 HB ILE A 92 12.178 -20.619 -18.291 1.00 31.40 H new ATOM 0 HG12 ILE A 92 10.683 -18.950 -19.140 1.00 63.34 H new ATOM 0 HG13 ILE A 92 11.070 -20.089 -20.415 1.00 63.34 H new ATOM 0 HG21 ILE A 92 11.590 -22.421 -19.935 1.00 71.53 H new ATOM 0 HG22 ILE A 92 11.646 -23.028 -18.263 1.00 71.53 H new ATOM 0 HG23 ILE A 92 10.078 -22.711 -19.042 1.00 71.53 H new ATOM 0 HD11 ILE A 92 8.692 -19.472 -20.483 1.00 32.34 H new ATOM 0 HD12 ILE A 92 8.872 -21.202 -20.106 1.00 32.34 H new ATOM 0 HD13 ILE A 92 8.479 -20.045 -18.812 1.00 32.34 H new ATOM 1496 N VAL A 93 10.466 -22.123 -14.966 1.00 73.54 N ATOM 1497 CA VAL A 93 11.018 -22.844 -13.832 1.00 11.01 C ATOM 1498 C VAL A 93 11.558 -24.180 -14.322 1.00 44.43 C ATOM 1499 O VAL A 93 11.018 -24.769 -15.254 1.00 25.31 O ATOM 1500 CB VAL A 93 9.959 -23.059 -12.735 1.00 42.41 C ATOM 1501 CG1 VAL A 93 10.558 -23.844 -11.558 1.00 1.53 C ATOM 1502 CG2 VAL A 93 9.426 -21.727 -12.199 1.00 74.34 C ATOM 0 H VAL A 93 9.453 -22.014 -14.925 1.00 73.54 H new ATOM 0 HA VAL A 93 11.823 -22.256 -13.392 1.00 11.01 H new ATOM 0 HB VAL A 93 9.140 -23.618 -13.188 1.00 42.41 H new ATOM 0 HG11 VAL A 93 9.797 -23.987 -10.791 1.00 1.53 H new ATOM 0 HG12 VAL A 93 10.907 -24.815 -11.909 1.00 1.53 H new ATOM 0 HG13 VAL A 93 11.396 -23.287 -11.138 1.00 1.53 H new ATOM 0 HG21 VAL A 93 8.681 -21.918 -11.427 1.00 74.34 H new ATOM 0 HG22 VAL A 93 10.248 -21.150 -11.776 1.00 74.34 H new ATOM 0 HG23 VAL A 93 8.969 -21.164 -13.013 1.00 74.34 H new ATOM 1512 N LYS A 94 12.621 -24.653 -13.676 1.00 0.13 N ATOM 1513 CA LYS A 94 13.170 -25.968 -13.914 1.00 31.31 C ATOM 1514 C LYS A 94 12.640 -26.880 -12.817 1.00 61.51 C ATOM 1515 O LYS A 94 13.009 -26.713 -11.656 1.00 72.14 O ATOM 1516 CB LYS A 94 14.698 -25.894 -13.897 1.00 11.11 C ATOM 1517 CG LYS A 94 15.204 -24.816 -14.862 1.00 12.45 C ATOM 1518 CD LYS A 94 16.706 -24.948 -15.158 1.00 64.41 C ATOM 1519 CE LYS A 94 17.610 -24.957 -13.915 1.00 23.34 C ATOM 1520 NZ LYS A 94 17.689 -26.284 -13.272 1.00 23.11 N ATOM 0 H LYS A 94 13.125 -24.121 -12.966 1.00 0.13 H new ATOM 0 HA LYS A 94 12.876 -26.358 -14.888 1.00 31.31 H new ATOM 0 HB2 LYS A 94 15.044 -25.675 -12.887 1.00 11.11 H new ATOM 0 HB3 LYS A 94 15.116 -26.862 -14.175 1.00 11.11 H new ATOM 0 HG2 LYS A 94 14.646 -24.879 -15.796 1.00 12.45 H new ATOM 0 HG3 LYS A 94 15.006 -23.832 -14.438 1.00 12.45 H new ATOM 0 HD2 LYS A 94 16.872 -25.869 -15.717 1.00 64.41 H new ATOM 0 HD3 LYS A 94 17.008 -24.124 -15.804 1.00 64.41 H new ATOM 0 HE2 LYS A 94 18.612 -24.636 -14.199 1.00 23.34 H new ATOM 0 HE3 LYS A 94 17.235 -24.231 -13.194 1.00 23.34 H new ATOM 0 HZ1 LYS A 94 18.672 -26.476 -12.991 1.00 23.11 H new ATOM 0 HZ2 LYS A 94 17.079 -26.298 -12.430 1.00 23.11 H new ATOM 0 HZ3 LYS A 94 17.372 -27.014 -13.942 1.00 23.11 H new ATOM 1534 N TRP A 95 11.772 -27.831 -13.182 1.00 64.34 N ATOM 1535 CA TRP A 95 11.378 -28.903 -12.284 1.00 31.10 C ATOM 1536 C TRP A 95 12.628 -29.697 -11.902 1.00 54.35 C ATOM 1537 O TRP A 95 13.106 -30.522 -12.681 1.00 33.21 O ATOM 1538 CB TRP A 95 10.355 -29.826 -12.956 1.00 11.22 C ATOM 1539 CG TRP A 95 10.143 -31.137 -12.257 1.00 25.32 C ATOM 1540 CD1 TRP A 95 9.824 -31.312 -10.954 1.00 44.32 C ATOM 1541 CD2 TRP A 95 10.397 -32.471 -12.781 1.00 14.40 C ATOM 1542 NE1 TRP A 95 9.833 -32.656 -10.644 1.00 34.42 N ATOM 1543 CE2 TRP A 95 10.212 -33.416 -11.733 1.00 3.13 C ATOM 1544 CE3 TRP A 95 10.809 -32.970 -14.034 1.00 20.13 C ATOM 1545 CZ2 TRP A 95 10.435 -34.789 -11.918 1.00 63.44 C ATOM 1546 CZ3 TRP A 95 11.037 -34.345 -14.231 1.00 40.41 C ATOM 1547 CH2 TRP A 95 10.865 -35.252 -13.172 1.00 4.02 C ATOM 0 H TRP A 95 11.331 -27.872 -14.101 1.00 64.34 H new ATOM 0 HA TRP A 95 10.913 -28.480 -11.394 1.00 31.10 H new ATOM 0 HB2 TRP A 95 9.400 -29.304 -13.019 1.00 11.22 H new ATOM 0 HB3 TRP A 95 10.679 -30.022 -13.978 1.00 11.22 H new ATOM 0 HD1 TRP A 95 9.596 -30.517 -10.259 1.00 44.32 H new ATOM 0 HE1 TRP A 95 9.591 -33.039 -9.730 1.00 34.42 H new ATOM 0 HE3 TRP A 95 10.952 -32.285 -14.857 1.00 20.13 H new ATOM 0 HZ2 TRP A 95 10.278 -35.482 -11.105 1.00 63.44 H new ATOM 0 HZ3 TRP A 95 11.346 -34.705 -15.201 1.00 40.41 H new ATOM 0 HH2 TRP A 95 11.063 -36.303 -13.322 1.00 4.02 H new ATOM 1558 N ASP A 96 13.145 -29.443 -10.697 1.00 71.13 N ATOM 1559 CA ASP A 96 14.281 -30.158 -10.152 1.00 40.14 C ATOM 1560 C ASP A 96 13.744 -31.411 -9.467 1.00 20.33 C ATOM 1561 O ASP A 96 13.328 -31.368 -8.310 1.00 35.52 O ATOM 1562 CB ASP A 96 15.078 -29.244 -9.214 1.00 4.52 C ATOM 1563 CG ASP A 96 15.642 -28.032 -9.959 1.00 43.14 C ATOM 1564 OD1 ASP A 96 16.411 -28.254 -10.921 1.00 71.21 O ATOM 1565 OD2 ASP A 96 15.292 -26.900 -9.561 1.00 73.52 O ATOM 0 H ASP A 96 12.776 -28.726 -10.073 1.00 71.13 H new ATOM 0 HA ASP A 96 14.981 -30.463 -10.930 1.00 40.14 H new ATOM 0 HB2 ASP A 96 14.436 -28.906 -8.401 1.00 4.52 H new ATOM 0 HB3 ASP A 96 15.895 -29.807 -8.762 1.00 4.52 H new ATOM 1570 N ARG A 97 13.739 -32.518 -10.220 1.00 0.44 N ATOM 1571 CA ARG A 97 13.305 -33.846 -9.805 1.00 64.31 C ATOM 1572 C ARG A 97 13.849 -34.275 -8.436 1.00 44.22 C ATOM 1573 O ARG A 97 13.168 -34.995 -7.707 1.00 13.12 O ATOM 1574 CB ARG A 97 13.641 -34.870 -10.905 1.00 33.34 C ATOM 1575 CG ARG A 97 15.117 -35.289 -11.011 1.00 61.12 C ATOM 1576 CD ARG A 97 16.071 -34.149 -11.386 1.00 23.10 C ATOM 1577 NE ARG A 97 17.455 -34.626 -11.476 1.00 22.13 N ATOM 1578 CZ ARG A 97 18.552 -33.855 -11.370 1.00 1.50 C ATOM 1579 NH1 ARG A 97 18.463 -32.529 -11.182 1.00 14.13 N ATOM 1580 NH2 ARG A 97 19.762 -34.423 -11.454 1.00 75.43 N ATOM 0 H ARG A 97 14.057 -32.504 -11.189 1.00 0.44 H new ATOM 0 HA ARG A 97 12.224 -33.805 -9.672 1.00 64.31 H new ATOM 0 HB2 ARG A 97 13.042 -35.765 -10.736 1.00 33.34 H new ATOM 0 HB3 ARG A 97 13.332 -34.456 -11.865 1.00 33.34 H new ATOM 0 HG2 ARG A 97 15.432 -35.712 -10.057 1.00 61.12 H new ATOM 0 HG3 ARG A 97 15.205 -36.081 -11.755 1.00 61.12 H new ATOM 0 HD2 ARG A 97 15.769 -33.717 -12.340 1.00 23.10 H new ATOM 0 HD3 ARG A 97 16.004 -33.355 -10.642 1.00 23.10 H new ATOM 0 HE ARG A 97 17.597 -35.624 -11.632 1.00 22.13 H new ATOM 0 HH11 ARG A 97 17.548 -32.084 -11.116 1.00 14.13 H new ATOM 0 HH12 ARG A 97 19.311 -31.967 -11.105 1.00 14.13 H new ATOM 0 HH21 ARG A 97 19.844 -35.430 -11.597 1.00 75.43 H new ATOM 0 HH22 ARG A 97 20.601 -33.849 -11.375 1.00 75.43 H new ATOM 1594 N ASP A 98 15.060 -33.819 -8.089 1.00 1.14 N ATOM 1595 CA ASP A 98 15.731 -34.063 -6.823 1.00 13.43 C ATOM 1596 C ASP A 98 15.257 -33.061 -5.762 1.00 2.40 C ATOM 1597 O ASP A 98 16.067 -32.357 -5.162 1.00 41.44 O ATOM 1598 CB ASP A 98 17.257 -34.042 -7.043 1.00 44.12 C ATOM 1599 CG ASP A 98 17.809 -32.707 -7.556 1.00 21.30 C ATOM 1600 OD1 ASP A 98 17.242 -32.178 -8.537 1.00 20.31 O ATOM 1601 OD2 ASP A 98 18.813 -32.248 -6.971 1.00 41.01 O ATOM 0 H ASP A 98 15.618 -33.243 -8.720 1.00 1.14 H new ATOM 0 HA ASP A 98 15.472 -35.051 -6.442 1.00 13.43 H new ATOM 0 HB2 ASP A 98 17.750 -34.287 -6.102 1.00 44.12 H new ATOM 0 HB3 ASP A 98 17.519 -34.826 -7.754 1.00 44.12 H new ATOM 1606 N MET A 99 13.936 -33.033 -5.527 1.00 75.32 N ATOM 1607 CA MET A 99 13.245 -32.207 -4.543 1.00 3.01 C ATOM 1608 C MET A 99 13.428 -30.711 -4.824 1.00 33.15 C ATOM 1609 O MET A 99 12.535 -30.151 -5.498 1.00 42.12 O ATOM 1610 CB MET A 99 13.647 -32.617 -3.115 1.00 52.24 C ATOM 1611 CG MET A 99 12.815 -31.886 -2.052 1.00 5.04 C ATOM 1612 SD MET A 99 13.108 -32.405 -0.338 1.00 20.24 S ATOM 1613 CE MET A 99 14.897 -32.154 -0.206 1.00 71.31 C ATOM 1614 OXT MET A 99 14.435 -30.145 -4.346 1.00 0.00 O ATOM 0 H MET A 99 13.291 -33.623 -6.052 1.00 75.32 H new ATOM 0 HA MET A 99 12.173 -32.387 -4.631 1.00 3.01 H new ATOM 0 HB2 MET A 99 13.521 -33.693 -2.998 1.00 52.24 H new ATOM 0 HB3 MET A 99 14.704 -32.401 -2.960 1.00 52.24 H new ATOM 0 HG2 MET A 99 13.017 -30.818 -2.129 1.00 5.04 H new ATOM 0 HG3 MET A 99 11.759 -32.028 -2.281 1.00 5.04 H new ATOM 0 HE1 MET A 99 15.201 -32.240 0.837 1.00 71.31 H new ATOM 0 HE2 MET A 99 15.415 -32.908 -0.798 1.00 71.31 H new ATOM 0 HE3 MET A 99 15.154 -31.162 -0.578 1.00 71.31 H new TER 1624 MET A 99