USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 850 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 124 ZNZN :(H bumps) USER MOD Set 1.1: A 62 TYR OH : rot 180:sc= 0.00399 USER MOD Set 1.2: A 87 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.21) USER MOD Set 2.1: A 36 ASN : amide:sc= 0.627 K(o=-0.8,f=-11!) USER MOD Set 2.2: A 41 SER OG : rot 43:sc= 0.274 USER MOD Set 2.3: A 61 HIS : no HE2:sc= -1.71 X(o=-0.8,f=-1.1) USER MOD Set 3.1: A 10 GLN : amide:sc= -1.2! C(o=-2!,f=-4!) USER MOD Set 3.2: A 100 HIS : no HE2:sc= -0.79 K(o=-2,f=-15!) USER MOD Set 4.1: A 7 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.19) USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ 142:sc= -0.0118 (180deg=-0.33) USER MOD Single : A 2 SER OG : rot -172:sc= 0.422 USER MOD Single : A 3 LYS NZ :NH3+ 136:sc= 1.25 (180deg=0.388) USER MOD Single : A 4 TYR OH : rot 150:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.063 K(o=-0.063,f=-1.1) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0.099) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.21) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 38 THR OG1 : rot -166:sc= 1.31 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.127 (180deg=-0.127) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.242 K(o=0.24,f=-2.8!) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -60:sc= 1.97 USER MOD Single : A 77 THR OG1 : rot -36:sc= 0.586 USER MOD Single : A 84 TYR OH : rot 64:sc= 1.21 USER MOD Single : A 85 SER OG : rot 21:sc= 0.114 USER MOD Single : A 96 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.8!) USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= 0.486 (180deg=-0.196!) USER MOD Single : A 103 HIS : no HD1:sc= 1.06 K(o=1.1,f=-4.6!) USER MOD Single : A 108 MET CE :methyl -140:sc= -2.64! (180deg=-3.46!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl -173:sc= 0 (180deg=-0.043) USER MOD Single : A 112 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.03) USER MOD Single : A 114 THR OG1 : rot 41:sc= 0.0784 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.317 -7.406 -12.225 1.00 0.75 N ATOM 2 CA VAL A 1 -5.962 -7.641 -10.914 1.00 0.65 C ATOM 3 C VAL A 1 -5.077 -8.538 -10.046 1.00 0.73 C ATOM 4 O VAL A 1 -4.450 -9.471 -10.546 1.00 0.89 O ATOM 5 CB VAL A 1 -7.360 -8.280 -11.093 1.00 0.76 C ATOM 6 CG1 VAL A 1 -7.256 -9.585 -11.857 1.00 1.17 C ATOM 7 CG2 VAL A 1 -8.048 -8.489 -9.749 1.00 1.17 C ATOM 0 H1 VAL A 1 -6.041 -7.402 -12.972 1.00 0.75 H new ATOM 0 H2 VAL A 1 -4.828 -6.488 -12.212 1.00 0.75 H new ATOM 0 H3 VAL A 1 -4.629 -8.163 -12.414 1.00 0.75 H new ATOM 0 HA VAL A 1 -6.089 -6.679 -10.417 1.00 0.65 H new ATOM 0 HB VAL A 1 -7.973 -7.591 -11.674 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -8.249 -10.019 -11.973 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -6.825 -9.397 -12.841 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -6.619 -10.278 -11.308 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -9.028 -8.939 -9.908 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -7.442 -9.149 -9.129 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.167 -7.528 -9.248 1.00 1.17 H new ATOM 17 N SER A 2 -4.999 -8.220 -8.759 1.00 0.77 N ATOM 18 CA SER A 2 -4.219 -8.996 -7.808 1.00 1.05 C ATOM 19 C SER A 2 -4.668 -10.455 -7.786 1.00 0.74 C ATOM 20 O SER A 2 -5.851 -10.761 -7.640 1.00 0.74 O ATOM 21 CB SER A 2 -4.348 -8.377 -6.410 1.00 1.59 C ATOM 22 OG SER A 2 -5.708 -8.152 -6.071 1.00 2.17 O ATOM 0 H SER A 2 -5.475 -7.417 -8.348 1.00 0.77 H new ATOM 0 HA SER A 2 -3.174 -8.975 -8.118 1.00 1.05 H new ATOM 0 HB2 SER A 2 -3.892 -9.038 -5.673 1.00 1.59 H new ATOM 0 HB3 SER A 2 -3.801 -7.435 -6.375 1.00 1.59 H new ATOM 0 HG SER A 2 -5.757 -7.648 -5.232 1.00 2.17 H new ATOM 28 N LYS A 3 -3.709 -11.355 -7.957 1.00 1.00 N ATOM 29 CA LYS A 3 -3.983 -12.784 -7.927 1.00 1.20 C ATOM 30 C LYS A 3 -4.460 -13.203 -6.542 1.00 1.01 C ATOM 31 O LYS A 3 -5.320 -14.068 -6.406 1.00 1.21 O ATOM 32 CB LYS A 3 -2.729 -13.571 -8.316 1.00 1.77 C ATOM 33 CG LYS A 3 -2.913 -15.081 -8.316 1.00 2.09 C ATOM 34 CD LYS A 3 -1.605 -15.796 -8.606 1.00 2.48 C ATOM 35 CE LYS A 3 -1.167 -15.608 -10.047 1.00 2.97 C ATOM 36 NZ LYS A 3 0.312 -15.656 -10.181 1.00 3.76 N ATOM 0 H LYS A 3 -2.730 -11.118 -8.119 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.771 -13.003 -8.647 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -2.410 -13.256 -9.309 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -1.925 -13.315 -7.626 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -3.299 -15.402 -7.349 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -3.656 -15.359 -9.064 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -0.830 -15.420 -7.938 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -1.718 -16.860 -8.396 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -1.614 -16.384 -10.668 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -1.535 -14.652 -10.418 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 0.567 -16.238 -11.005 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 0.680 -14.692 -10.310 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 0.725 -16.072 -9.322 1.00 3.76 H new ATOM 50 N TYR A 4 -3.913 -12.565 -5.518 1.00 0.82 N ATOM 51 CA TYR A 4 -4.281 -12.870 -4.143 1.00 0.74 C ATOM 52 C TYR A 4 -5.361 -11.912 -3.647 1.00 0.71 C ATOM 53 O TYR A 4 -5.406 -11.577 -2.469 1.00 0.85 O ATOM 54 CB TYR A 4 -3.050 -12.787 -3.235 1.00 0.79 C ATOM 55 CG TYR A 4 -1.902 -13.672 -3.676 1.00 0.97 C ATOM 56 CD1 TYR A 4 -2.127 -14.976 -4.103 1.00 1.18 C ATOM 57 CD2 TYR A 4 -0.596 -13.204 -3.671 1.00 1.63 C ATOM 58 CE1 TYR A 4 -1.083 -15.787 -4.509 1.00 1.59 C ATOM 59 CE2 TYR A 4 0.454 -14.008 -4.076 1.00 2.20 C ATOM 60 CZ TYR A 4 0.205 -15.299 -4.494 1.00 2.07 C ATOM 61 OH TYR A 4 1.248 -16.104 -4.899 1.00 2.69 O ATOM 0 H TYR A 4 -3.211 -11.831 -5.613 1.00 0.82 H new ATOM 0 HA TYR A 4 -4.678 -13.885 -4.112 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -2.706 -11.753 -3.199 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -3.339 -13.062 -2.221 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -3.135 -15.363 -4.118 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -0.396 -12.194 -3.345 1.00 1.63 H new ATOM 0 HE1 TYR A 4 -1.277 -16.798 -4.836 1.00 1.59 H new ATOM 0 HE2 TYR A 4 1.464 -13.627 -4.065 1.00 2.20 H new ATOM 0 HH TYR A 4 1.958 -15.550 -5.285 1.00 2.69 H new ATOM 71 N ALA A 5 -6.236 -11.490 -4.555 1.00 0.72 N ATOM 72 CA ALA A 5 -7.290 -10.532 -4.232 1.00 0.78 C ATOM 73 C ALA A 5 -8.233 -11.070 -3.165 1.00 0.84 C ATOM 74 O ALA A 5 -8.729 -10.321 -2.324 1.00 1.03 O ATOM 75 CB ALA A 5 -8.076 -10.179 -5.482 1.00 1.02 C ATOM 0 H ALA A 5 -6.236 -11.799 -5.527 1.00 0.72 H new ATOM 0 HA ALA A 5 -6.811 -9.637 -3.836 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -8.859 -9.464 -5.230 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -7.406 -9.738 -6.220 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -8.528 -11.081 -5.895 1.00 1.02 H new ATOM 81 N ASN A 6 -8.491 -12.370 -3.208 1.00 0.88 N ATOM 82 CA ASN A 6 -9.398 -12.986 -2.250 1.00 1.15 C ATOM 83 C ASN A 6 -8.670 -13.253 -0.936 1.00 1.35 C ATOM 84 O ASN A 6 -9.291 -13.403 0.115 1.00 1.76 O ATOM 85 CB ASN A 6 -9.973 -14.290 -2.806 1.00 1.22 C ATOM 86 CG ASN A 6 -11.254 -14.701 -2.101 1.00 1.60 C ATOM 87 OD1 ASN A 6 -12.060 -13.854 -1.714 1.00 2.19 O ATOM 88 ND2 ASN A 6 -11.443 -15.994 -1.912 1.00 2.25 N ATOM 0 H ASN A 6 -8.089 -13.013 -3.890 1.00 0.88 H new ATOM 0 HA ASN A 6 -10.223 -12.298 -2.067 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -10.169 -14.173 -3.872 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -9.233 -15.084 -2.703 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -12.280 -16.322 -1.430 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -10.752 -16.665 -2.248 1.00 2.25 H new ATOM 95 N ASN A 7 -7.344 -13.280 -1.003 1.00 1.33 N ATOM 96 CA ASN A 7 -6.517 -13.520 0.171 1.00 1.82 C ATOM 97 C ASN A 7 -6.029 -12.186 0.731 1.00 1.74 C ATOM 98 O ASN A 7 -4.855 -12.011 1.058 1.00 2.40 O ATOM 99 CB ASN A 7 -5.328 -14.429 -0.187 1.00 2.31 C ATOM 100 CG ASN A 7 -4.549 -14.905 1.028 1.00 2.79 C ATOM 101 OD1 ASN A 7 -3.338 -15.129 0.957 1.00 3.33 O ATOM 102 ND2 ASN A 7 -5.240 -15.085 2.145 1.00 3.26 N ATOM 0 H ASN A 7 -6.817 -13.137 -1.865 1.00 1.33 H new ATOM 0 HA ASN A 7 -7.110 -14.027 0.932 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -5.695 -15.295 -0.737 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -4.655 -13.890 -0.853 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -4.771 -15.420 2.986 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -6.241 -14.888 2.163 1.00 3.26 H new ATOM 109 N LEU A 8 -6.949 -11.236 0.828 1.00 1.18 N ATOM 110 CA LEU A 8 -6.633 -9.908 1.327 1.00 1.17 C ATOM 111 C LEU A 8 -6.701 -9.910 2.853 1.00 0.94 C ATOM 112 O LEU A 8 -7.539 -9.236 3.459 1.00 1.12 O ATOM 113 CB LEU A 8 -7.609 -8.881 0.737 1.00 1.36 C ATOM 114 CG LEU A 8 -7.035 -7.485 0.474 1.00 1.46 C ATOM 115 CD1 LEU A 8 -6.784 -6.745 1.776 1.00 1.38 C ATOM 116 CD2 LEU A 8 -5.753 -7.579 -0.336 1.00 2.10 C ATOM 0 H LEU A 8 -7.926 -11.364 0.565 1.00 1.18 H new ATOM 0 HA LEU A 8 -5.624 -9.632 1.022 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -7.997 -9.276 -0.202 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -8.456 -8.782 1.416 1.00 1.36 H new ATOM 0 HG LEU A 8 -7.770 -6.922 -0.101 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -6.377 -5.757 1.560 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -7.722 -6.640 2.321 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -6.073 -7.306 2.382 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -5.360 -6.578 -0.513 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -5.017 -8.166 0.214 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -5.961 -8.061 -1.291 1.00 2.10 H new ATOM 128 N THR A 9 -5.836 -10.703 3.463 1.00 0.92 N ATOM 129 CA THR A 9 -5.784 -10.829 4.907 1.00 0.82 C ATOM 130 C THR A 9 -5.234 -9.557 5.542 1.00 0.67 C ATOM 131 O THR A 9 -4.173 -9.064 5.149 1.00 0.76 O ATOM 132 CB THR A 9 -4.917 -12.033 5.311 1.00 1.14 C ATOM 133 OG1 THR A 9 -5.356 -13.195 4.595 1.00 1.34 O ATOM 134 CG2 THR A 9 -5.013 -12.293 6.804 1.00 1.25 C ATOM 0 H THR A 9 -5.151 -11.276 2.970 1.00 0.92 H new ATOM 0 HA THR A 9 -6.800 -10.987 5.269 1.00 0.82 H new ATOM 0 HB THR A 9 -3.878 -11.812 5.065 1.00 1.14 H new ATOM 0 HG1 THR A 9 -4.804 -13.964 4.849 1.00 1.34 H new ATOM 0 HG21 THR A 9 -4.391 -13.149 7.065 1.00 1.25 H new ATOM 0 HG22 THR A 9 -4.668 -11.414 7.349 1.00 1.25 H new ATOM 0 HG23 THR A 9 -6.049 -12.502 7.071 1.00 1.25 H new ATOM 142 N GLN A 10 -5.965 -9.023 6.509 1.00 0.63 N ATOM 143 CA GLN A 10 -5.566 -7.794 7.172 1.00 0.63 C ATOM 144 C GLN A 10 -5.076 -8.076 8.587 1.00 0.66 C ATOM 145 O GLN A 10 -5.468 -9.065 9.215 1.00 0.85 O ATOM 146 CB GLN A 10 -6.727 -6.802 7.215 1.00 0.78 C ATOM 147 CG GLN A 10 -7.339 -6.522 5.857 1.00 0.90 C ATOM 148 CD GLN A 10 -8.384 -5.430 5.909 1.00 1.21 C ATOM 149 OE1 GLN A 10 -8.082 -4.254 5.703 1.00 1.49 O ATOM 150 NE2 GLN A 10 -9.618 -5.807 6.203 1.00 1.91 N ATOM 0 H GLN A 10 -6.839 -9.423 6.851 1.00 0.63 H new ATOM 0 HA GLN A 10 -4.749 -7.356 6.599 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -7.500 -7.189 7.879 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -6.376 -5.864 7.646 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -6.552 -6.235 5.159 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -7.791 -7.435 5.470 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -9.825 -6.792 6.366 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -10.362 -5.112 6.266 1.00 1.91 H new ATOM 159 N LEU A 11 -4.220 -7.199 9.075 1.00 0.56 N ATOM 160 CA LEU A 11 -3.625 -7.336 10.388 1.00 0.56 C ATOM 161 C LEU A 11 -3.739 -6.020 11.150 1.00 0.57 C ATOM 162 O LEU A 11 -3.071 -5.041 10.823 1.00 0.73 O ATOM 163 CB LEU A 11 -2.160 -7.754 10.229 1.00 0.62 C ATOM 164 CG LEU A 11 -1.320 -7.775 11.504 1.00 0.53 C ATOM 165 CD1 LEU A 11 -1.966 -8.654 12.565 1.00 0.91 C ATOM 166 CD2 LEU A 11 0.092 -8.252 11.199 1.00 0.88 C ATOM 0 H LEU A 11 -3.917 -6.367 8.568 1.00 0.56 H new ATOM 0 HA LEU A 11 -4.151 -8.101 10.959 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -2.135 -8.750 9.786 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -1.686 -7.077 9.518 1.00 0.62 H new ATOM 0 HG LEU A 11 -1.266 -6.759 11.896 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -1.349 -8.653 13.464 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -2.956 -8.267 12.804 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -2.056 -9.673 12.188 1.00 0.91 H new ATOM 0 HD21 LEU A 11 0.679 -8.262 12.117 1.00 0.88 H new ATOM 0 HD22 LEU A 11 0.054 -9.258 10.782 1.00 0.88 H new ATOM 0 HD23 LEU A 11 0.556 -7.578 10.479 1.00 0.88 H new ATOM 178 N ASP A 12 -4.596 -5.992 12.154 1.00 0.63 N ATOM 179 CA ASP A 12 -4.813 -4.777 12.923 1.00 0.83 C ATOM 180 C ASP A 12 -3.839 -4.703 14.088 1.00 0.94 C ATOM 181 O ASP A 12 -3.973 -5.432 15.070 1.00 1.05 O ATOM 182 CB ASP A 12 -6.253 -4.716 13.436 1.00 1.10 C ATOM 183 CG ASP A 12 -6.531 -3.461 14.240 1.00 1.44 C ATOM 184 OD1 ASP A 12 -6.841 -2.416 13.633 1.00 1.94 O ATOM 185 OD2 ASP A 12 -6.420 -3.511 15.482 1.00 2.02 O ATOM 0 H ASP A 12 -5.152 -6.792 12.456 1.00 0.63 H new ATOM 0 HA ASP A 12 -4.640 -3.923 12.268 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -6.939 -4.761 12.590 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -6.452 -5.591 14.054 1.00 1.10 H new ATOM 190 N ASN A 13 -2.841 -3.843 13.965 1.00 1.02 N ATOM 191 CA ASN A 13 -1.864 -3.658 15.027 1.00 1.28 C ATOM 192 C ASN A 13 -1.712 -2.171 15.334 1.00 1.44 C ATOM 193 O ASN A 13 -0.639 -1.592 15.164 1.00 1.62 O ATOM 194 CB ASN A 13 -0.517 -4.271 14.625 1.00 1.46 C ATOM 195 CG ASN A 13 0.407 -4.493 15.811 1.00 1.77 C ATOM 196 OD1 ASN A 13 1.173 -3.611 16.197 1.00 1.90 O ATOM 197 ND2 ASN A 13 0.344 -5.679 16.398 1.00 2.47 N ATOM 0 H ASN A 13 -2.686 -3.262 13.141 1.00 1.02 H new ATOM 0 HA ASN A 13 -2.212 -4.167 15.926 1.00 1.28 H new ATOM 0 HB2 ASN A 13 -0.692 -5.223 14.123 1.00 1.46 H new ATOM 0 HB3 ASN A 13 -0.026 -3.617 13.905 1.00 1.46 H new ATOM 0 HD21 ASN A 13 0.943 -5.885 17.198 1.00 2.47 H new ATOM 0 HD22 ASN A 13 -0.304 -6.386 16.050 1.00 2.47 H new ATOM 204 N GLY A 14 -2.804 -1.557 15.779 1.00 1.54 N ATOM 205 CA GLY A 14 -2.801 -0.130 16.054 1.00 1.82 C ATOM 206 C GLY A 14 -2.633 0.691 14.792 1.00 1.62 C ATOM 207 O GLY A 14 -2.016 1.758 14.805 1.00 1.79 O ATOM 0 H GLY A 14 -3.694 -2.023 15.955 1.00 1.54 H new ATOM 0 HA2 GLY A 14 -3.734 0.147 16.545 1.00 1.82 H new ATOM 0 HA3 GLY A 14 -1.994 0.104 16.749 1.00 1.82 H new ATOM 211 N VAL A 15 -3.174 0.184 13.696 1.00 1.30 N ATOM 212 CA VAL A 15 -3.032 0.834 12.410 1.00 1.12 C ATOM 213 C VAL A 15 -4.141 1.849 12.163 1.00 1.26 C ATOM 214 O VAL A 15 -5.330 1.553 12.284 1.00 1.39 O ATOM 215 CB VAL A 15 -2.988 -0.201 11.267 1.00 0.92 C ATOM 216 CG1 VAL A 15 -4.246 -1.047 11.227 1.00 0.98 C ATOM 217 CG2 VAL A 15 -2.749 0.482 9.930 1.00 0.93 C ATOM 0 H VAL A 15 -3.717 -0.679 13.675 1.00 1.30 H new ATOM 0 HA VAL A 15 -2.085 1.373 12.428 1.00 1.12 H new ATOM 0 HB VAL A 15 -2.152 -0.872 11.464 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -4.177 -1.764 10.409 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -4.354 -1.583 12.170 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -5.112 -0.404 11.073 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -2.722 -0.267 9.139 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -3.555 1.189 9.733 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -1.798 1.015 9.958 1.00 0.93 H new ATOM 227 N ARG A 16 -3.727 3.056 11.836 1.00 1.34 N ATOM 228 CA ARG A 16 -4.648 4.126 11.523 1.00 1.54 C ATOM 229 C ARG A 16 -4.136 4.906 10.320 1.00 1.39 C ATOM 230 O ARG A 16 -3.337 5.828 10.463 1.00 1.49 O ATOM 231 CB ARG A 16 -4.817 5.050 12.730 1.00 1.95 C ATOM 232 CG ARG A 16 -5.710 6.253 12.460 1.00 2.24 C ATOM 233 CD ARG A 16 -7.131 5.825 12.130 1.00 2.54 C ATOM 234 NE ARG A 16 -7.930 6.928 11.604 1.00 3.18 N ATOM 235 CZ ARG A 16 -9.241 7.060 11.793 1.00 3.77 C ATOM 236 NH1 ARG A 16 -9.891 6.213 12.581 1.00 3.91 N ATOM 237 NH2 ARG A 16 -9.894 8.055 11.207 1.00 4.59 N ATOM 0 H ARG A 16 -2.744 3.321 11.780 1.00 1.34 H new ATOM 0 HA ARG A 16 -5.622 3.701 11.280 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -5.234 4.478 13.559 1.00 1.95 H new ATOM 0 HB3 ARG A 16 -3.835 5.401 13.048 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -5.718 6.905 13.333 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -5.301 6.833 11.633 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -7.105 5.017 11.399 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -7.607 5.429 13.027 1.00 2.54 H new ATOM 0 HE ARG A 16 -7.453 7.644 11.056 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -9.386 5.458 13.044 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -10.896 6.317 12.723 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -9.391 8.716 10.614 1.00 4.59 H new ATOM 0 HH22 ARG A 16 -10.899 8.159 11.349 1.00 4.59 H new ATOM 251 N ILE A 17 -4.577 4.524 9.133 1.00 1.28 N ATOM 252 CA ILE A 17 -4.159 5.215 7.928 1.00 1.19 C ATOM 253 C ILE A 17 -5.135 6.343 7.608 1.00 1.73 C ATOM 254 O ILE A 17 -6.350 6.135 7.584 1.00 2.16 O ATOM 255 CB ILE A 17 -4.059 4.264 6.713 1.00 1.21 C ATOM 256 CG1 ILE A 17 -3.341 2.965 7.091 1.00 1.00 C ATOM 257 CG2 ILE A 17 -3.306 4.956 5.590 1.00 1.15 C ATOM 258 CD1 ILE A 17 -1.875 3.148 7.397 1.00 0.64 C ATOM 0 H ILE A 17 -5.219 3.746 8.980 1.00 1.28 H new ATOM 0 HA ILE A 17 -3.165 5.620 8.118 1.00 1.19 H new ATOM 0 HB ILE A 17 -5.068 4.015 6.384 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -3.833 2.529 7.960 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -3.446 2.251 6.274 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -3.235 4.286 4.733 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -3.838 5.862 5.300 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -2.304 5.217 5.931 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -1.434 2.185 7.656 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -1.369 3.555 6.522 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -1.761 3.836 8.235 1.00 0.64 H new ATOM 270 N PRO A 18 -4.619 7.558 7.395 1.00 1.80 N ATOM 271 CA PRO A 18 -5.435 8.718 7.087 1.00 2.40 C ATOM 272 C PRO A 18 -5.695 8.869 5.590 1.00 2.55 C ATOM 273 O PRO A 18 -4.943 8.358 4.759 1.00 2.19 O ATOM 274 CB PRO A 18 -4.590 9.877 7.609 1.00 2.44 C ATOM 275 CG PRO A 18 -3.172 9.401 7.573 1.00 1.82 C ATOM 276 CD PRO A 18 -3.192 7.898 7.433 1.00 1.42 C ATOM 0 HA PRO A 18 -6.427 8.656 7.534 1.00 2.40 H new ATOM 0 HB2 PRO A 18 -4.720 10.765 6.990 1.00 2.44 H new ATOM 0 HB3 PRO A 18 -4.885 10.150 8.622 1.00 2.44 H new ATOM 0 HG2 PRO A 18 -2.638 9.855 6.738 1.00 1.82 H new ATOM 0 HG3 PRO A 18 -2.648 9.693 8.483 1.00 1.82 H new ATOM 0 HD2 PRO A 18 -2.682 7.576 6.525 1.00 1.42 H new ATOM 0 HD3 PRO A 18 -2.689 7.413 8.270 1.00 1.42 H new ATOM 284 N PRO A 19 -6.774 9.584 5.236 1.00 3.21 N ATOM 285 CA PRO A 19 -7.145 9.850 3.842 1.00 3.52 C ATOM 286 C PRO A 19 -6.209 10.860 3.178 1.00 3.11 C ATOM 287 O PRO A 19 -6.393 11.221 2.015 1.00 3.33 O ATOM 288 CB PRO A 19 -8.563 10.437 3.936 1.00 4.30 C ATOM 289 CG PRO A 19 -8.989 10.267 5.359 1.00 4.44 C ATOM 290 CD PRO A 19 -7.735 10.180 6.173 1.00 3.79 C ATOM 0 HA PRO A 19 -7.085 8.946 3.236 1.00 3.52 H new ATOM 0 HB2 PRO A 19 -8.569 11.489 3.651 1.00 4.30 H new ATOM 0 HB3 PRO A 19 -9.244 9.920 3.261 1.00 4.30 H new ATOM 0 HG2 PRO A 19 -9.604 11.107 5.683 1.00 4.44 H new ATOM 0 HG3 PRO A 19 -9.592 9.367 5.478 1.00 4.44 H new ATOM 0 HD2 PRO A 19 -7.408 11.161 6.517 1.00 3.79 H new ATOM 0 HD3 PRO A 19 -7.871 9.561 7.060 1.00 3.79 H new ATOM 298 N SER A 20 -5.219 11.316 3.932 1.00 2.62 N ATOM 299 CA SER A 20 -4.253 12.285 3.447 1.00 2.22 C ATOM 300 C SER A 20 -3.095 12.365 4.434 1.00 1.11 C ATOM 301 O SER A 20 -3.274 12.101 5.623 1.00 1.53 O ATOM 302 CB SER A 20 -4.911 13.656 3.279 1.00 3.11 C ATOM 303 OG SER A 20 -4.012 14.596 2.721 1.00 3.71 O ATOM 0 H SER A 20 -5.065 11.023 4.897 1.00 2.62 H new ATOM 0 HA SER A 20 -3.878 11.971 2.473 1.00 2.22 H new ATOM 0 HB2 SER A 20 -5.788 13.564 2.638 1.00 3.11 H new ATOM 0 HB3 SER A 20 -5.260 14.015 4.247 1.00 3.11 H new ATOM 0 HG SER A 20 -4.462 15.461 2.624 1.00 3.71 H new ATOM 309 N GLY A 21 -1.915 12.715 3.949 1.00 1.33 N ATOM 310 CA GLY A 21 -0.761 12.793 4.819 1.00 1.87 C ATOM 311 C GLY A 21 -0.055 11.461 4.958 1.00 1.69 C ATOM 312 O GLY A 21 0.524 11.163 6.003 1.00 2.56 O ATOM 0 H GLY A 21 -1.735 12.946 2.972 1.00 1.33 H new ATOM 0 HA2 GLY A 21 -0.063 13.533 4.427 1.00 1.87 H new ATOM 0 HA3 GLY A 21 -1.074 13.140 5.804 1.00 1.87 H new ATOM 316 N TRP A 22 -0.115 10.652 3.908 1.00 0.80 N ATOM 317 CA TRP A 22 0.593 9.377 3.883 1.00 0.60 C ATOM 318 C TRP A 22 2.088 9.603 3.766 1.00 0.47 C ATOM 319 O TRP A 22 2.524 10.611 3.203 1.00 0.57 O ATOM 320 CB TRP A 22 0.118 8.495 2.725 1.00 0.60 C ATOM 321 CG TRP A 22 -0.429 9.259 1.555 1.00 0.94 C ATOM 322 CD1 TRP A 22 0.273 10.030 0.677 1.00 1.96 C ATOM 323 CD2 TRP A 22 -1.795 9.309 1.129 1.00 1.26 C ATOM 324 NE1 TRP A 22 -0.573 10.565 -0.261 1.00 2.25 N ATOM 325 CE2 TRP A 22 -1.848 10.137 -0.006 1.00 1.73 C ATOM 326 CE3 TRP A 22 -2.980 8.738 1.603 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -3.038 10.405 -0.680 1.00 2.22 C ATOM 328 CZ3 TRP A 22 -4.160 9.004 0.935 1.00 2.82 C ATOM 329 CH2 TRP A 22 -4.181 9.833 -0.194 1.00 2.65 C ATOM 0 H TRP A 22 -0.647 10.856 3.062 1.00 0.80 H new ATOM 0 HA TRP A 22 0.375 8.864 4.820 1.00 0.60 H new ATOM 0 HB2 TRP A 22 0.952 7.880 2.386 1.00 0.60 H new ATOM 0 HB3 TRP A 22 -0.651 7.815 3.092 1.00 0.60 H new ATOM 0 HD1 TRP A 22 1.340 10.196 0.714 1.00 1.96 H new ATOM 0 HE1 TRP A 22 -0.297 11.182 -1.025 1.00 2.25 H new ATOM 0 HE3 TRP A 22 -2.973 8.101 2.475 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -3.057 11.040 -1.553 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 -5.081 8.566 1.289 1.00 2.82 H new ATOM 0 HH2 TRP A 22 -5.120 10.025 -0.691 1.00 2.65 H new ATOM 340 N LYS A 23 2.870 8.660 4.272 1.00 0.41 N ATOM 341 CA LYS A 23 4.313 8.795 4.261 1.00 0.39 C ATOM 342 C LYS A 23 4.972 7.536 4.787 1.00 0.37 C ATOM 343 O LYS A 23 4.453 6.875 5.689 1.00 0.39 O ATOM 344 CB LYS A 23 4.737 10.003 5.093 1.00 0.51 C ATOM 345 CG LYS A 23 6.224 10.289 5.040 1.00 0.59 C ATOM 346 CD LYS A 23 6.525 11.690 5.518 1.00 0.70 C ATOM 347 CE LYS A 23 5.728 12.696 4.716 1.00 0.67 C ATOM 348 NZ LYS A 23 6.190 14.087 4.958 1.00 1.23 N ATOM 0 H LYS A 23 2.527 7.797 4.693 1.00 0.41 H new ATOM 0 HA LYS A 23 4.637 8.947 3.231 1.00 0.39 H new ATOM 0 HB2 LYS A 23 4.195 10.882 4.744 1.00 0.51 H new ATOM 0 HB3 LYS A 23 4.444 9.839 6.130 1.00 0.51 H new ATOM 0 HG2 LYS A 23 6.759 9.568 5.658 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.586 10.164 4.019 1.00 0.59 H new ATOM 0 HD2 LYS A 23 6.281 11.782 6.576 1.00 0.70 H new ATOM 0 HD3 LYS A 23 7.591 11.896 5.418 1.00 0.70 H new ATOM 0 HE2 LYS A 23 5.814 12.464 3.654 1.00 0.67 H new ATOM 0 HE3 LYS A 23 4.673 12.613 4.976 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 5.642 14.743 4.365 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 6.053 14.329 5.960 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 7.199 14.164 4.718 1.00 1.23 H new ATOM 362 N CYS A 24 6.105 7.211 4.195 1.00 0.37 N ATOM 363 CA CYS A 24 6.885 6.055 4.577 1.00 0.40 C ATOM 364 C CYS A 24 7.443 6.230 5.984 1.00 0.48 C ATOM 365 O CYS A 24 7.900 7.308 6.360 1.00 0.57 O ATOM 366 CB CYS A 24 8.005 5.851 3.555 1.00 0.46 C ATOM 367 SG CYS A 24 9.506 5.122 4.224 1.00 0.80 S ATOM 0 H CYS A 24 6.511 7.748 3.429 1.00 0.37 H new ATOM 0 HA CYS A 24 6.251 5.169 4.587 1.00 0.40 H new ATOM 0 HB2 CYS A 24 7.634 5.214 2.752 1.00 0.46 H new ATOM 0 HB3 CYS A 24 8.252 6.815 3.109 1.00 0.46 H new ATOM 372 N ALA A 25 7.373 5.145 6.748 1.00 0.50 N ATOM 373 CA ALA A 25 7.779 5.120 8.151 1.00 0.62 C ATOM 374 C ALA A 25 9.209 5.615 8.371 1.00 0.70 C ATOM 375 O ALA A 25 9.548 6.078 9.460 1.00 0.90 O ATOM 376 CB ALA A 25 7.628 3.709 8.685 1.00 0.72 C ATOM 0 H ALA A 25 7.029 4.247 6.408 1.00 0.50 H new ATOM 0 HA ALA A 25 7.129 5.807 8.692 1.00 0.62 H new ATOM 0 HB1 ALA A 25 7.929 3.682 9.732 1.00 0.72 H new ATOM 0 HB2 ALA A 25 6.587 3.397 8.599 1.00 0.72 H new ATOM 0 HB3 ALA A 25 8.259 3.032 8.109 1.00 0.72 H new ATOM 382 N ARG A 26 10.048 5.490 7.353 1.00 0.72 N ATOM 383 CA ARG A 26 11.423 5.966 7.438 1.00 0.88 C ATOM 384 C ARG A 26 11.617 7.271 6.663 1.00 0.84 C ATOM 385 O ARG A 26 11.522 8.358 7.226 1.00 0.94 O ATOM 386 CB ARG A 26 12.405 4.907 6.924 1.00 1.00 C ATOM 387 CG ARG A 26 12.976 4.012 8.008 1.00 1.18 C ATOM 388 CD ARG A 26 12.058 2.846 8.326 1.00 1.06 C ATOM 389 NE ARG A 26 12.641 1.973 9.346 1.00 1.71 N ATOM 390 CZ ARG A 26 12.619 0.639 9.299 1.00 1.86 C ATOM 391 NH1 ARG A 26 11.951 0.011 8.343 1.00 1.80 N ATOM 392 NH2 ARG A 26 13.251 -0.066 10.226 1.00 2.59 N ATOM 0 H ARG A 26 9.802 5.064 6.459 1.00 0.72 H new ATOM 0 HA ARG A 26 11.629 6.158 8.491 1.00 0.88 H new ATOM 0 HB2 ARG A 26 11.899 4.286 6.185 1.00 1.00 H new ATOM 0 HB3 ARG A 26 13.226 5.407 6.411 1.00 1.00 H new ATOM 0 HG2 ARG A 26 13.947 3.632 7.690 1.00 1.18 H new ATOM 0 HG3 ARG A 26 13.143 4.599 8.911 1.00 1.18 H new ATOM 0 HD2 ARG A 26 11.096 3.222 8.673 1.00 1.06 H new ATOM 0 HD3 ARG A 26 11.868 2.272 7.419 1.00 1.06 H new ATOM 0 HE ARG A 26 13.095 2.413 10.146 1.00 1.71 H new ATOM 0 HH11 ARG A 26 11.448 0.547 7.636 1.00 1.80 H new ATOM 0 HH12 ARG A 26 11.939 -1.009 8.314 1.00 1.80 H new ATOM 0 HH21 ARG A 26 13.754 0.411 10.975 1.00 2.59 H new ATOM 0 HH22 ARG A 26 13.235 -1.085 10.191 1.00 2.59 H new ATOM 406 N CYS A 27 11.904 7.146 5.371 1.00 0.75 N ATOM 407 CA CYS A 27 12.170 8.297 4.514 1.00 0.75 C ATOM 408 C CYS A 27 10.953 9.210 4.364 1.00 0.75 C ATOM 409 O CYS A 27 9.810 8.766 4.455 1.00 0.85 O ATOM 410 CB CYS A 27 12.602 7.803 3.143 1.00 0.75 C ATOM 411 SG CYS A 27 12.965 6.029 3.105 1.00 0.76 S ATOM 0 H CYS A 27 11.959 6.248 4.890 1.00 0.75 H new ATOM 0 HA CYS A 27 12.959 8.884 4.983 1.00 0.75 H new ATOM 0 HB2 CYS A 27 11.815 8.022 2.421 1.00 0.75 H new ATOM 0 HB3 CYS A 27 13.487 8.355 2.827 1.00 0.75 H new ATOM 416 N ASP A 28 11.229 10.475 4.060 1.00 0.72 N ATOM 417 CA ASP A 28 10.199 11.517 3.965 1.00 0.74 C ATOM 418 C ASP A 28 9.569 11.550 2.572 1.00 0.68 C ATOM 419 O ASP A 28 9.065 12.577 2.120 1.00 0.89 O ATOM 420 CB ASP A 28 10.805 12.892 4.313 1.00 0.86 C ATOM 421 CG ASP A 28 9.785 14.027 4.307 1.00 1.34 C ATOM 422 OD1 ASP A 28 8.862 14.017 5.156 1.00 2.00 O ATOM 423 OD2 ASP A 28 9.904 14.939 3.463 1.00 1.66 O ATOM 0 H ASP A 28 12.173 10.812 3.871 1.00 0.72 H new ATOM 0 HA ASP A 28 9.411 11.282 4.681 1.00 0.74 H new ATOM 0 HB2 ASP A 28 11.269 12.837 5.298 1.00 0.86 H new ATOM 0 HB3 ASP A 28 11.597 13.122 3.600 1.00 0.86 H new ATOM 428 N LEU A 29 9.599 10.428 1.874 1.00 0.53 N ATOM 429 CA LEU A 29 8.898 10.345 0.612 1.00 0.47 C ATOM 430 C LEU A 29 7.408 10.457 0.846 1.00 0.48 C ATOM 431 O LEU A 29 6.848 9.802 1.723 1.00 0.51 O ATOM 432 CB LEU A 29 9.246 9.070 -0.143 1.00 0.46 C ATOM 433 CG LEU A 29 10.547 9.154 -0.929 1.00 0.48 C ATOM 434 CD1 LEU A 29 10.835 7.844 -1.629 1.00 0.52 C ATOM 435 CD2 LEU A 29 10.474 10.294 -1.927 1.00 0.56 C ATOM 0 H LEU A 29 10.091 9.580 2.155 1.00 0.53 H new ATOM 0 HA LEU A 29 9.218 11.177 -0.014 1.00 0.47 H new ATOM 0 HB2 LEU A 29 9.315 8.246 0.567 1.00 0.46 H new ATOM 0 HB3 LEU A 29 8.433 8.832 -0.829 1.00 0.46 H new ATOM 0 HG LEU A 29 11.365 9.349 -0.235 1.00 0.48 H new ATOM 0 HD11 LEU A 29 11.769 7.926 -2.185 1.00 0.52 H new ATOM 0 HD12 LEU A 29 10.921 7.048 -0.890 1.00 0.52 H new ATOM 0 HD13 LEU A 29 10.022 7.613 -2.318 1.00 0.52 H new ATOM 0 HD21 LEU A 29 11.408 10.349 -2.486 1.00 0.56 H new ATOM 0 HD22 LEU A 29 9.648 10.121 -2.617 1.00 0.56 H new ATOM 0 HD23 LEU A 29 10.313 11.232 -1.396 1.00 0.56 H new ATOM 447 N ARG A 30 6.785 11.314 0.066 1.00 0.51 N ATOM 448 CA ARG A 30 5.390 11.671 0.260 1.00 0.59 C ATOM 449 C ARG A 30 4.557 11.071 -0.860 1.00 0.60 C ATOM 450 O ARG A 30 3.339 11.229 -0.918 1.00 0.71 O ATOM 451 CB ARG A 30 5.277 13.189 0.280 1.00 0.72 C ATOM 452 CG ARG A 30 6.307 13.811 1.201 1.00 0.94 C ATOM 453 CD ARG A 30 6.416 15.300 1.013 1.00 1.06 C ATOM 454 NE ARG A 30 7.541 15.849 1.763 1.00 2.05 N ATOM 455 CZ ARG A 30 7.857 17.140 1.795 1.00 2.56 C ATOM 456 NH1 ARG A 30 7.132 18.026 1.120 1.00 2.36 N ATOM 457 NH2 ARG A 30 8.898 17.542 2.508 1.00 3.67 N ATOM 0 H ARG A 30 7.229 11.785 -0.722 1.00 0.51 H new ATOM 0 HA ARG A 30 5.018 11.278 1.206 1.00 0.59 H new ATOM 0 HB2 ARG A 30 5.408 13.578 -0.730 1.00 0.72 H new ATOM 0 HB3 ARG A 30 4.277 13.476 0.604 1.00 0.72 H new ATOM 0 HG2 ARG A 30 6.042 13.596 2.236 1.00 0.94 H new ATOM 0 HG3 ARG A 30 7.279 13.352 1.019 1.00 0.94 H new ATOM 0 HD2 ARG A 30 6.537 15.527 -0.046 1.00 1.06 H new ATOM 0 HD3 ARG A 30 5.492 15.778 1.338 1.00 1.06 H new ATOM 0 HE ARG A 30 8.121 15.202 2.296 1.00 2.05 H new ATOM 0 HH11 ARG A 30 6.328 17.717 0.574 1.00 2.36 H new ATOM 0 HH12 ARG A 30 7.379 19.015 1.148 1.00 2.36 H new ATOM 0 HH21 ARG A 30 9.452 16.862 3.029 1.00 3.67 H new ATOM 0 HH22 ARG A 30 9.145 18.531 2.536 1.00 3.67 H new ATOM 471 N GLU A 31 5.257 10.371 -1.739 1.00 0.55 N ATOM 472 CA GLU A 31 4.667 9.664 -2.862 1.00 0.65 C ATOM 473 C GLU A 31 5.472 8.402 -3.111 1.00 0.55 C ATOM 474 O GLU A 31 6.490 8.182 -2.452 1.00 0.49 O ATOM 475 CB GLU A 31 4.651 10.530 -4.122 1.00 0.81 C ATOM 476 CG GLU A 31 3.513 11.532 -4.156 1.00 1.49 C ATOM 477 CD GLU A 31 3.545 12.399 -5.393 1.00 2.12 C ATOM 478 OE1 GLU A 31 3.332 11.870 -6.503 1.00 2.41 O ATOM 479 OE2 GLU A 31 3.799 13.614 -5.259 1.00 2.82 O ATOM 0 H GLU A 31 6.271 10.277 -1.690 1.00 0.55 H new ATOM 0 HA GLU A 31 3.633 9.417 -2.622 1.00 0.65 H new ATOM 0 HB2 GLU A 31 5.598 11.065 -4.197 1.00 0.81 H new ATOM 0 HB3 GLU A 31 4.581 9.883 -4.996 1.00 0.81 H new ATOM 0 HG2 GLU A 31 2.563 11.000 -4.113 1.00 1.49 H new ATOM 0 HG3 GLU A 31 3.564 12.165 -3.270 1.00 1.49 H new ATOM 486 N ASN A 32 5.024 7.586 -4.065 1.00 0.60 N ATOM 487 CA ASN A 32 5.641 6.283 -4.319 1.00 0.61 C ATOM 488 C ASN A 32 5.646 5.468 -3.035 1.00 0.50 C ATOM 489 O ASN A 32 6.589 4.730 -2.741 1.00 0.54 O ATOM 490 CB ASN A 32 7.073 6.423 -4.859 1.00 0.69 C ATOM 491 CG ASN A 32 7.127 7.167 -6.179 1.00 1.23 C ATOM 492 OD1 ASN A 32 6.922 6.582 -7.243 1.00 1.82 O ATOM 493 ND2 ASN A 32 7.430 8.456 -6.120 1.00 2.01 N ATOM 0 H ASN A 32 4.236 7.804 -4.675 1.00 0.60 H new ATOM 0 HA ASN A 32 5.053 5.773 -5.082 1.00 0.61 H new ATOM 0 HB2 ASN A 32 7.685 6.948 -4.125 1.00 0.69 H new ATOM 0 HB3 ASN A 32 7.508 5.432 -4.987 1.00 0.69 H new ATOM 0 HD21 ASN A 32 7.501 9.003 -6.978 1.00 2.01 H new ATOM 0 HD22 ASN A 32 7.592 8.901 -5.217 1.00 2.01 H new ATOM 500 N LEU A 33 4.583 5.646 -2.266 1.00 0.41 N ATOM 501 CA LEU A 33 4.427 4.979 -0.989 1.00 0.32 C ATOM 502 C LEU A 33 3.604 3.728 -1.160 1.00 0.30 C ATOM 503 O LEU A 33 2.745 3.668 -2.035 1.00 0.34 O ATOM 504 CB LEU A 33 3.727 5.903 0.001 1.00 0.31 C ATOM 505 CG LEU A 33 4.403 7.247 0.205 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.412 8.252 0.756 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.582 7.100 1.145 1.00 0.32 C ATOM 0 H LEU A 33 3.805 6.258 -2.513 1.00 0.41 H new ATOM 0 HA LEU A 33 5.415 4.719 -0.609 1.00 0.32 H new ATOM 0 HB2 LEU A 33 2.707 6.074 -0.342 1.00 0.31 H new ATOM 0 HB3 LEU A 33 3.659 5.396 0.964 1.00 0.31 H new ATOM 0 HG LEU A 33 4.767 7.608 -0.757 1.00 0.34 H new ATOM 0 HD11 LEU A 33 3.908 9.212 0.898 1.00 0.39 H new ATOM 0 HD12 LEU A 33 2.586 8.371 0.055 1.00 0.39 H new ATOM 0 HD13 LEU A 33 3.028 7.897 1.712 1.00 0.39 H new ATOM 0 HD21 LEU A 33 6.059 8.070 1.284 1.00 0.32 H new ATOM 0 HD22 LEU A 33 5.235 6.725 2.108 1.00 0.32 H new ATOM 0 HD23 LEU A 33 6.301 6.399 0.720 1.00 0.32 H new ATOM 519 N TRP A 34 3.854 2.746 -0.324 1.00 0.28 N ATOM 520 CA TRP A 34 3.101 1.518 -0.367 1.00 0.28 C ATOM 521 C TRP A 34 2.293 1.365 0.903 1.00 0.27 C ATOM 522 O TRP A 34 2.842 1.120 1.974 1.00 0.31 O ATOM 523 CB TRP A 34 4.018 0.306 -0.538 1.00 0.32 C ATOM 524 CG TRP A 34 5.150 0.525 -1.489 1.00 0.57 C ATOM 525 CD1 TRP A 34 6.467 0.619 -1.166 1.00 1.79 C ATOM 526 CD2 TRP A 34 5.070 0.680 -2.912 1.00 0.53 C ATOM 527 NE1 TRP A 34 7.217 0.824 -2.296 1.00 1.85 N ATOM 528 CE2 TRP A 34 6.383 0.865 -3.382 1.00 0.73 C ATOM 529 CE3 TRP A 34 4.019 0.677 -3.832 1.00 1.77 C ATOM 530 CZ2 TRP A 34 6.672 1.051 -4.732 1.00 0.67 C ATOM 531 CZ3 TRP A 34 4.307 0.860 -5.172 1.00 2.25 C ATOM 532 CH2 TRP A 34 5.622 1.044 -5.611 1.00 1.47 C ATOM 0 H TRP A 34 4.576 2.776 0.396 1.00 0.28 H new ATOM 0 HA TRP A 34 2.433 1.565 -1.227 1.00 0.28 H new ATOM 0 HB2 TRP A 34 4.424 0.031 0.436 1.00 0.32 H new ATOM 0 HB3 TRP A 34 3.424 -0.539 -0.886 1.00 0.32 H new ATOM 0 HD1 TRP A 34 6.865 0.543 -0.165 1.00 1.79 H new ATOM 0 HE1 TRP A 34 8.231 0.929 -2.323 1.00 1.85 H new ATOM 0 HE3 TRP A 34 3.000 0.534 -3.503 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 7.687 1.195 -5.073 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 3.502 0.861 -5.892 1.00 2.25 H new ATOM 0 HH2 TRP A 34 5.813 1.183 -6.665 1.00 1.47 H new ATOM 543 N LEU A 35 0.993 1.546 0.778 1.00 0.25 N ATOM 544 CA LEU A 35 0.078 1.302 1.876 1.00 0.26 C ATOM 545 C LEU A 35 -0.221 -0.191 1.909 1.00 0.27 C ATOM 546 O LEU A 35 -1.008 -0.691 1.107 1.00 0.29 O ATOM 547 CB LEU A 35 -1.208 2.114 1.655 1.00 0.28 C ATOM 548 CG LEU A 35 -2.089 2.391 2.885 1.00 0.32 C ATOM 549 CD1 LEU A 35 -3.368 3.079 2.444 1.00 0.36 C ATOM 550 CD2 LEU A 35 -2.417 1.123 3.662 1.00 0.32 C ATOM 0 H LEU A 35 0.544 1.864 -0.081 1.00 0.25 H new ATOM 0 HA LEU A 35 0.513 1.609 2.827 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -0.930 3.073 1.217 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -1.815 1.590 0.917 1.00 0.28 H new ATOM 0 HG LEU A 35 -1.527 3.039 3.557 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -3.994 3.276 3.314 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -3.124 4.020 1.952 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -3.906 2.435 1.748 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -3.041 1.373 4.520 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -2.952 0.428 3.015 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -1.493 0.659 4.008 1.00 0.32 H new ATOM 562 N ASN A 36 0.418 -0.895 2.831 1.00 0.28 N ATOM 563 CA ASN A 36 0.288 -2.346 2.913 1.00 0.30 C ATOM 564 C ASN A 36 -1.154 -2.759 3.204 1.00 0.30 C ATOM 565 O ASN A 36 -1.821 -2.166 4.053 1.00 0.35 O ATOM 566 CB ASN A 36 1.247 -2.902 3.970 1.00 0.37 C ATOM 567 CG ASN A 36 1.119 -4.404 4.131 1.00 0.83 C ATOM 568 OD1 ASN A 36 0.407 -4.890 5.002 1.00 1.62 O ATOM 569 ND2 ASN A 36 1.796 -5.155 3.274 1.00 1.44 N ATOM 0 H ASN A 36 1.033 -0.487 3.535 1.00 0.28 H new ATOM 0 HA ASN A 36 0.556 -2.770 1.945 1.00 0.30 H new ATOM 0 HB2 ASN A 36 2.272 -2.655 3.693 1.00 0.37 H new ATOM 0 HB3 ASN A 36 1.050 -2.418 4.927 1.00 0.37 H new ATOM 0 HD21 ASN A 36 1.734 -6.172 3.327 1.00 1.44 H new ATOM 0 HD22 ASN A 36 2.379 -4.716 2.561 1.00 1.44 H new ATOM 576 N LEU A 37 -1.625 -3.783 2.487 1.00 0.28 N ATOM 577 CA LEU A 37 -3.032 -4.191 2.528 1.00 0.31 C ATOM 578 C LEU A 37 -3.349 -5.014 3.767 1.00 0.33 C ATOM 579 O LEU A 37 -4.509 -5.317 4.040 1.00 0.40 O ATOM 580 CB LEU A 37 -3.397 -4.992 1.271 1.00 0.33 C ATOM 581 CG LEU A 37 -3.786 -4.161 0.045 1.00 0.41 C ATOM 582 CD1 LEU A 37 -5.151 -3.519 0.242 1.00 0.59 C ATOM 583 CD2 LEU A 37 -2.744 -3.098 -0.223 1.00 0.54 C ATOM 0 H LEU A 37 -1.047 -4.349 1.866 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.629 -3.280 2.566 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.549 -5.623 1.005 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.225 -5.657 1.514 1.00 0.33 H new ATOM 0 HG LEU A 37 -3.838 -4.827 -0.816 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -5.408 -2.933 -0.640 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -5.900 -4.296 0.393 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -5.124 -2.867 1.115 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -3.035 -2.516 -1.097 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -2.665 -2.439 0.642 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -1.780 -3.572 -0.407 1.00 0.54 H new ATOM 595 N THR A 38 -2.326 -5.355 4.519 1.00 0.32 N ATOM 596 CA THR A 38 -2.509 -6.182 5.695 1.00 0.37 C ATOM 597 C THR A 38 -2.444 -5.362 6.981 1.00 0.35 C ATOM 598 O THR A 38 -3.475 -5.074 7.589 1.00 0.40 O ATOM 599 CB THR A 38 -1.470 -7.325 5.741 1.00 0.43 C ATOM 600 OG1 THR A 38 -1.613 -8.141 4.575 1.00 0.53 O ATOM 601 CG2 THR A 38 -1.639 -8.181 6.990 1.00 0.48 C ATOM 0 H THR A 38 -1.362 -5.075 4.340 1.00 0.32 H new ATOM 0 HA THR A 38 -3.505 -6.618 5.623 1.00 0.37 H new ATOM 0 HB THR A 38 -0.474 -6.882 5.769 1.00 0.43 H new ATOM 0 HG1 THR A 38 -1.120 -8.979 4.700 1.00 0.53 H new ATOM 0 HG21 THR A 38 -0.893 -8.975 6.990 1.00 0.48 H new ATOM 0 HG22 THR A 38 -1.509 -7.560 7.877 1.00 0.48 H new ATOM 0 HG23 THR A 38 -2.636 -8.621 6.998 1.00 0.48 H new ATOM 609 N ASP A 39 -1.246 -4.962 7.372 1.00 0.34 N ATOM 610 CA ASP A 39 -1.040 -4.352 8.680 1.00 0.36 C ATOM 611 C ASP A 39 -1.040 -2.828 8.590 1.00 0.32 C ATOM 612 O ASP A 39 -1.052 -2.135 9.604 1.00 0.48 O ATOM 613 CB ASP A 39 0.275 -4.847 9.285 1.00 0.45 C ATOM 614 CG ASP A 39 1.486 -4.138 8.714 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.537 -3.924 7.480 1.00 1.44 O ATOM 616 OD2 ASP A 39 2.395 -3.793 9.488 1.00 1.32 O ATOM 0 H ASP A 39 -0.402 -5.047 6.806 1.00 0.34 H new ATOM 0 HA ASP A 39 -1.867 -4.647 9.326 1.00 0.36 H new ATOM 0 HB2 ASP A 39 0.250 -4.702 10.365 1.00 0.45 H new ATOM 0 HB3 ASP A 39 0.370 -5.919 9.109 1.00 0.45 H new ATOM 621 N GLY A 40 -1.021 -2.317 7.366 1.00 0.28 N ATOM 622 CA GLY A 40 -1.052 -0.883 7.151 1.00 0.27 C ATOM 623 C GLY A 40 0.321 -0.251 7.216 1.00 0.29 C ATOM 624 O GLY A 40 0.440 0.945 7.475 1.00 0.39 O ATOM 0 H GLY A 40 -0.984 -2.874 6.513 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.497 -0.676 6.178 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.695 -0.422 7.900 1.00 0.27 H new ATOM 628 N SER A 41 1.362 -1.048 7.006 1.00 0.29 N ATOM 629 CA SER A 41 2.708 -0.506 6.892 1.00 0.38 C ATOM 630 C SER A 41 2.817 0.382 5.661 1.00 0.32 C ATOM 631 O SER A 41 2.822 -0.107 4.530 1.00 0.32 O ATOM 632 CB SER A 41 3.755 -1.619 6.806 1.00 0.51 C ATOM 633 OG SER A 41 3.933 -2.270 8.050 1.00 0.93 O ATOM 0 H SER A 41 1.300 -2.062 6.912 1.00 0.29 H new ATOM 0 HA SER A 41 2.901 0.082 7.789 1.00 0.38 H new ATOM 0 HB2 SER A 41 3.450 -2.348 6.055 1.00 0.51 H new ATOM 0 HB3 SER A 41 4.705 -1.199 6.476 1.00 0.51 H new ATOM 0 HG SER A 41 3.059 -2.430 8.463 1.00 0.93 H new ATOM 639 N VAL A 42 2.876 1.684 5.886 1.00 0.32 N ATOM 640 CA VAL A 42 3.093 2.628 4.807 1.00 0.28 C ATOM 641 C VAL A 42 4.582 2.839 4.608 1.00 0.29 C ATOM 642 O VAL A 42 5.261 3.474 5.418 1.00 0.35 O ATOM 643 CB VAL A 42 2.419 3.992 5.047 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.695 4.928 3.876 1.00 0.26 C ATOM 645 CG2 VAL A 42 0.926 3.827 5.254 1.00 0.31 C ATOM 0 H VAL A 42 2.776 2.110 6.808 1.00 0.32 H new ATOM 0 HA VAL A 42 2.636 2.195 3.917 1.00 0.28 H new ATOM 0 HB VAL A 42 2.840 4.429 5.952 1.00 0.28 H new ATOM 0 HG11 VAL A 42 2.214 5.889 4.057 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.770 5.075 3.773 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.299 4.491 2.959 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.472 4.804 5.422 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.484 3.368 4.369 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.747 3.190 6.120 1.00 0.31 H new ATOM 655 N LEU A 43 5.080 2.283 3.532 1.00 0.28 N ATOM 656 CA LEU A 43 6.485 2.370 3.203 1.00 0.33 C ATOM 657 C LEU A 43 6.630 3.141 1.910 1.00 0.30 C ATOM 658 O LEU A 43 5.653 3.683 1.417 1.00 0.29 O ATOM 659 CB LEU A 43 7.058 0.960 3.085 1.00 0.44 C ATOM 660 CG LEU A 43 6.797 0.082 4.312 1.00 0.51 C ATOM 661 CD1 LEU A 43 7.305 -1.328 4.082 1.00 0.63 C ATOM 662 CD2 LEU A 43 7.430 0.694 5.557 1.00 0.54 C ATOM 0 H LEU A 43 4.524 1.757 2.858 1.00 0.28 H new ATOM 0 HA LEU A 43 7.039 2.894 3.982 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.631 0.477 2.206 1.00 0.44 H new ATOM 0 HB3 LEU A 43 8.133 1.028 2.920 1.00 0.44 H new ATOM 0 HG LEU A 43 5.720 0.030 4.472 1.00 0.51 H new ATOM 0 HD11 LEU A 43 7.109 -1.934 4.966 1.00 0.63 H new ATOM 0 HD12 LEU A 43 6.794 -1.763 3.223 1.00 0.63 H new ATOM 0 HD13 LEU A 43 8.378 -1.302 3.891 1.00 0.63 H new ATOM 0 HD21 LEU A 43 7.233 0.054 6.417 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.506 0.784 5.411 1.00 0.54 H new ATOM 0 HD23 LEU A 43 7.004 1.682 5.734 1.00 0.54 H new ATOM 674 N CYS A 44 7.830 3.233 1.370 1.00 0.40 N ATOM 675 CA CYS A 44 7.988 3.926 0.100 1.00 0.46 C ATOM 676 C CYS A 44 8.848 3.114 -0.869 1.00 0.61 C ATOM 677 O CYS A 44 9.238 1.988 -0.559 1.00 0.71 O ATOM 678 CB CYS A 44 8.538 5.343 0.309 1.00 0.52 C ATOM 679 SG CYS A 44 10.331 5.475 0.497 1.00 0.71 S ATOM 0 H CYS A 44 8.686 2.851 1.772 1.00 0.40 H new ATOM 0 HA CYS A 44 7.003 4.027 -0.355 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.235 5.958 -0.538 1.00 0.52 H new ATOM 0 HB3 CYS A 44 8.067 5.767 1.196 1.00 0.52 H new ATOM 684 N GLY A 45 9.118 3.670 -2.040 1.00 0.68 N ATOM 685 CA GLY A 45 9.833 2.938 -3.066 1.00 0.87 C ATOM 686 C GLY A 45 11.272 2.614 -2.704 1.00 1.23 C ATOM 687 O GLY A 45 11.859 3.219 -1.804 1.00 2.12 O ATOM 0 H GLY A 45 8.853 4.620 -2.300 1.00 0.68 H new ATOM 0 HA2 GLY A 45 9.302 2.008 -3.271 1.00 0.87 H new ATOM 0 HA3 GLY A 45 9.823 3.520 -3.987 1.00 0.87 H new ATOM 691 N LYS A 46 11.814 1.611 -3.385 1.00 1.63 N ATOM 692 CA LYS A 46 13.241 1.306 -3.332 1.00 2.41 C ATOM 693 C LYS A 46 13.750 1.018 -4.740 1.00 2.38 C ATOM 694 O LYS A 46 14.933 0.758 -4.950 1.00 2.93 O ATOM 695 CB LYS A 46 13.532 0.113 -2.393 1.00 3.41 C ATOM 696 CG LYS A 46 12.683 -1.143 -2.628 1.00 4.32 C ATOM 697 CD LYS A 46 13.020 -1.859 -3.936 1.00 5.11 C ATOM 698 CE LYS A 46 14.462 -2.352 -3.979 1.00 5.83 C ATOM 699 NZ LYS A 46 14.707 -3.486 -3.047 1.00 6.44 N ATOM 0 H LYS A 46 11.279 0.987 -3.989 1.00 1.63 H new ATOM 0 HA LYS A 46 13.765 2.171 -2.926 1.00 2.41 H new ATOM 0 HB2 LYS A 46 14.583 -0.157 -2.495 1.00 3.41 H new ATOM 0 HB3 LYS A 46 13.385 0.441 -1.364 1.00 3.41 H new ATOM 0 HG2 LYS A 46 12.827 -1.832 -1.796 1.00 4.32 H new ATOM 0 HG3 LYS A 46 11.629 -0.866 -2.634 1.00 4.32 H new ATOM 0 HD2 LYS A 46 12.346 -2.706 -4.067 1.00 5.11 H new ATOM 0 HD3 LYS A 46 12.846 -1.182 -4.772 1.00 5.11 H new ATOM 0 HE2 LYS A 46 14.706 -2.662 -4.995 1.00 5.83 H new ATOM 0 HE3 LYS A 46 15.131 -1.529 -3.728 1.00 5.83 H new ATOM 0 HZ1 LYS A 46 15.701 -3.783 -3.115 1.00 6.44 H new ATOM 0 HZ2 LYS A 46 14.501 -3.185 -2.073 1.00 6.44 H new ATOM 0 HZ3 LYS A 46 14.090 -4.283 -3.301 1.00 6.44 H new ATOM 713 N TRP A 47 12.832 1.062 -5.698 1.00 2.40 N ATOM 714 CA TRP A 47 13.131 0.674 -7.071 1.00 2.90 C ATOM 715 C TRP A 47 13.028 1.883 -7.996 1.00 3.16 C ATOM 716 O TRP A 47 13.654 1.927 -9.053 1.00 3.82 O ATOM 717 CB TRP A 47 12.156 -0.423 -7.510 1.00 3.59 C ATOM 718 CG TRP A 47 12.564 -1.149 -8.754 1.00 3.94 C ATOM 719 CD1 TRP A 47 12.135 -0.905 -10.028 1.00 4.43 C ATOM 720 CD2 TRP A 47 13.481 -2.245 -8.841 1.00 4.46 C ATOM 721 NE1 TRP A 47 12.727 -1.784 -10.898 1.00 5.12 N ATOM 722 CE2 TRP A 47 13.557 -2.618 -10.195 1.00 5.13 C ATOM 723 CE3 TRP A 47 14.245 -2.951 -7.906 1.00 4.85 C ATOM 724 CZ2 TRP A 47 14.366 -3.661 -10.636 1.00 6.00 C ATOM 725 CZ3 TRP A 47 15.046 -3.987 -8.344 1.00 5.76 C ATOM 726 CH2 TRP A 47 15.102 -4.335 -9.700 1.00 6.25 C ATOM 0 H TRP A 47 11.869 1.364 -5.548 1.00 2.40 H new ATOM 0 HA TRP A 47 14.150 0.290 -7.126 1.00 2.90 H new ATOM 0 HB2 TRP A 47 12.051 -1.145 -6.700 1.00 3.59 H new ATOM 0 HB3 TRP A 47 11.174 0.022 -7.669 1.00 3.59 H new ATOM 0 HD1 TRP A 47 11.433 -0.134 -10.308 1.00 4.43 H new ATOM 0 HE1 TRP A 47 12.574 -1.813 -11.906 1.00 5.12 H new ATOM 0 HE3 TRP A 47 14.209 -2.690 -6.859 1.00 4.85 H new ATOM 0 HZ2 TRP A 47 14.411 -3.929 -11.681 1.00 6.00 H new ATOM 0 HZ3 TRP A 47 15.639 -4.538 -7.629 1.00 5.76 H new ATOM 0 HH2 TRP A 47 15.738 -5.150 -10.012 1.00 6.25 H new ATOM 737 N PHE A 48 12.239 2.865 -7.581 1.00 3.23 N ATOM 738 CA PHE A 48 12.055 4.076 -8.361 1.00 3.94 C ATOM 739 C PHE A 48 13.071 5.114 -7.911 1.00 3.98 C ATOM 740 O PHE A 48 13.237 5.344 -6.714 1.00 4.37 O ATOM 741 CB PHE A 48 10.630 4.607 -8.181 1.00 4.71 C ATOM 742 CG PHE A 48 9.977 5.028 -9.468 1.00 5.10 C ATOM 743 CD1 PHE A 48 9.455 4.089 -10.344 1.00 5.41 C ATOM 744 CD2 PHE A 48 9.892 6.372 -9.803 1.00 5.51 C ATOM 745 CE1 PHE A 48 8.860 4.482 -11.527 1.00 6.04 C ATOM 746 CE2 PHE A 48 9.298 6.769 -10.985 1.00 6.19 C ATOM 747 CZ PHE A 48 8.757 5.792 -11.845 1.00 6.43 C ATOM 0 H PHE A 48 11.716 2.844 -6.706 1.00 3.23 H new ATOM 0 HA PHE A 48 12.206 3.859 -9.418 1.00 3.94 H new ATOM 0 HB2 PHE A 48 10.021 3.836 -7.710 1.00 4.71 H new ATOM 0 HB3 PHE A 48 10.652 5.457 -7.499 1.00 4.71 H new ATOM 0 HD1 PHE A 48 9.514 3.039 -10.099 1.00 5.41 H new ATOM 0 HD2 PHE A 48 10.295 7.116 -9.132 1.00 5.51 H new ATOM 0 HE1 PHE A 48 8.473 3.735 -12.205 1.00 6.04 H new ATOM 0 HE2 PHE A 48 9.249 7.816 -11.247 1.00 6.19 H new ATOM 0 HZ PHE A 48 8.261 6.090 -12.757 1.00 6.43 H new ATOM 757 N PHE A 49 13.762 5.721 -8.863 1.00 4.01 N ATOM 758 CA PHE A 49 14.848 6.633 -8.540 1.00 4.29 C ATOM 759 C PHE A 49 14.330 8.007 -8.122 1.00 4.03 C ATOM 760 O PHE A 49 14.005 8.854 -8.960 1.00 4.43 O ATOM 761 CB PHE A 49 15.813 6.770 -9.722 1.00 5.23 C ATOM 762 CG PHE A 49 17.046 7.569 -9.397 1.00 5.92 C ATOM 763 CD1 PHE A 49 18.051 7.026 -8.609 1.00 6.27 C ATOM 764 CD2 PHE A 49 17.200 8.863 -9.868 1.00 6.52 C ATOM 765 CE1 PHE A 49 19.183 7.757 -8.301 1.00 7.24 C ATOM 766 CE2 PHE A 49 18.329 9.600 -9.561 1.00 7.39 C ATOM 767 CZ PHE A 49 19.322 9.045 -8.779 1.00 7.76 C ATOM 0 H PHE A 49 13.591 5.600 -9.861 1.00 4.01 H new ATOM 0 HA PHE A 49 15.385 6.206 -7.693 1.00 4.29 H new ATOM 0 HB2 PHE A 49 16.111 5.776 -10.056 1.00 5.23 H new ATOM 0 HB3 PHE A 49 15.292 7.243 -10.554 1.00 5.23 H new ATOM 0 HD1 PHE A 49 17.947 6.019 -8.232 1.00 6.27 H new ATOM 0 HD2 PHE A 49 16.428 9.302 -10.483 1.00 6.52 H new ATOM 0 HE1 PHE A 49 19.958 7.321 -7.687 1.00 7.24 H new ATOM 0 HE2 PHE A 49 18.434 10.609 -9.933 1.00 7.39 H new ATOM 0 HZ PHE A 49 20.206 9.617 -8.541 1.00 7.76 H new ATOM 777 N ASP A 50 14.233 8.203 -6.819 1.00 3.84 N ATOM 778 CA ASP A 50 13.984 9.520 -6.257 1.00 4.03 C ATOM 779 C ASP A 50 15.321 10.205 -6.007 1.00 3.49 C ATOM 780 O ASP A 50 16.369 9.557 -6.092 1.00 3.96 O ATOM 781 CB ASP A 50 13.177 9.410 -4.950 1.00 4.77 C ATOM 782 CG ASP A 50 12.962 10.751 -4.267 1.00 5.24 C ATOM 783 OD1 ASP A 50 12.041 11.495 -4.672 1.00 5.68 O ATOM 784 OD2 ASP A 50 13.729 11.075 -3.331 1.00 5.52 O ATOM 0 H ASP A 50 14.324 7.461 -6.125 1.00 3.84 H new ATOM 0 HA ASP A 50 13.396 10.111 -6.959 1.00 4.03 H new ATOM 0 HB2 ASP A 50 12.208 8.959 -5.165 1.00 4.77 H new ATOM 0 HB3 ASP A 50 13.696 8.739 -4.265 1.00 4.77 H new ATOM 789 N SER A 51 15.289 11.500 -5.726 1.00 2.95 N ATOM 790 CA SER A 51 16.495 12.262 -5.429 1.00 2.87 C ATOM 791 C SER A 51 17.381 11.525 -4.416 1.00 2.57 C ATOM 792 O SER A 51 18.558 11.272 -4.682 1.00 3.12 O ATOM 793 CB SER A 51 16.110 13.641 -4.899 1.00 3.44 C ATOM 794 OG SER A 51 15.286 14.331 -5.829 1.00 4.15 O ATOM 0 H SER A 51 14.431 12.051 -5.697 1.00 2.95 H new ATOM 0 HA SER A 51 17.070 12.376 -6.348 1.00 2.87 H new ATOM 0 HB2 SER A 51 15.585 13.536 -3.950 1.00 3.44 H new ATOM 0 HB3 SER A 51 17.010 14.224 -4.703 1.00 3.44 H new ATOM 0 HG SER A 51 15.051 15.211 -5.467 1.00 4.15 H new ATOM 800 N SER A 52 16.808 11.158 -3.272 1.00 2.29 N ATOM 801 CA SER A 52 17.547 10.408 -2.260 1.00 2.37 C ATOM 802 C SER A 52 16.611 9.776 -1.231 1.00 1.79 C ATOM 803 O SER A 52 17.026 9.436 -0.120 1.00 2.13 O ATOM 804 CB SER A 52 18.578 11.309 -1.571 1.00 3.06 C ATOM 805 OG SER A 52 18.031 12.584 -1.261 1.00 3.81 O ATOM 0 H SER A 52 15.841 11.366 -3.024 1.00 2.29 H new ATOM 0 HA SER A 52 18.072 9.598 -2.766 1.00 2.37 H new ATOM 0 HB2 SER A 52 18.928 10.830 -0.657 1.00 3.06 H new ATOM 0 HB3 SER A 52 19.446 11.432 -2.219 1.00 3.06 H new ATOM 0 HG SER A 52 18.712 13.134 -0.821 1.00 3.81 H new ATOM 811 N GLY A 53 15.352 9.606 -1.607 1.00 1.40 N ATOM 812 CA GLY A 53 14.397 8.990 -0.717 1.00 1.25 C ATOM 813 C GLY A 53 14.145 7.537 -1.063 1.00 1.07 C ATOM 814 O GLY A 53 14.143 7.161 -2.234 1.00 1.28 O ATOM 0 H GLY A 53 14.977 9.885 -2.514 1.00 1.40 H new ATOM 0 HA2 GLY A 53 14.761 9.059 0.308 1.00 1.25 H new ATOM 0 HA3 GLY A 53 13.457 9.540 -0.759 1.00 1.25 H new ATOM 818 N GLY A 54 13.937 6.723 -0.042 1.00 0.86 N ATOM 819 CA GLY A 54 13.652 5.317 -0.248 1.00 0.86 C ATOM 820 C GLY A 54 14.568 4.440 0.578 1.00 0.91 C ATOM 821 O GLY A 54 15.626 4.893 1.019 1.00 1.55 O ATOM 0 H GLY A 54 13.960 7.013 0.936 1.00 0.86 H new ATOM 0 HA2 GLY A 54 12.614 5.112 0.016 1.00 0.86 H new ATOM 0 HA3 GLY A 54 13.766 5.072 -1.304 1.00 0.86 H new ATOM 825 N ASN A 55 14.168 3.193 0.808 1.00 0.89 N ATOM 826 CA ASN A 55 14.910 2.306 1.704 1.00 0.87 C ATOM 827 C ASN A 55 14.368 0.876 1.584 1.00 1.01 C ATOM 828 O ASN A 55 13.403 0.634 0.857 1.00 1.21 O ATOM 829 CB ASN A 55 14.785 2.801 3.155 1.00 0.83 C ATOM 830 CG ASN A 55 15.953 2.374 4.023 1.00 1.45 C ATOM 831 OD1 ASN A 55 15.948 1.285 4.592 1.00 2.39 O ATOM 832 ND2 ASN A 55 16.946 3.239 4.149 1.00 1.63 N ATOM 0 H ASN A 55 13.338 2.773 0.389 1.00 0.89 H new ATOM 0 HA ASN A 55 15.963 2.311 1.422 1.00 0.87 H new ATOM 0 HB2 ASN A 55 14.714 3.889 3.158 1.00 0.83 H new ATOM 0 HB3 ASN A 55 13.859 2.420 3.586 1.00 0.83 H new ATOM 0 HD21 ASN A 55 17.748 3.012 4.737 1.00 1.63 H new ATOM 0 HD22 ASN A 55 16.909 4.132 3.658 1.00 1.63 H new ATOM 839 N GLY A 56 14.967 -0.064 2.316 1.00 1.23 N ATOM 840 CA GLY A 56 14.618 -1.470 2.169 1.00 1.44 C ATOM 841 C GLY A 56 13.527 -1.929 3.123 1.00 1.14 C ATOM 842 O GLY A 56 13.463 -3.107 3.478 1.00 1.07 O ATOM 0 H GLY A 56 15.690 0.124 3.010 1.00 1.23 H new ATOM 0 HA2 GLY A 56 14.292 -1.650 1.144 1.00 1.44 H new ATOM 0 HA3 GLY A 56 15.509 -2.076 2.331 1.00 1.44 H new ATOM 846 N HIS A 57 12.660 -1.002 3.514 1.00 1.06 N ATOM 847 CA HIS A 57 11.531 -1.291 4.409 1.00 0.77 C ATOM 848 C HIS A 57 10.623 -2.384 3.851 1.00 0.66 C ATOM 849 O HIS A 57 10.053 -3.172 4.603 1.00 0.55 O ATOM 850 CB HIS A 57 10.698 -0.020 4.657 1.00 0.68 C ATOM 851 CG HIS A 57 10.907 1.049 3.639 1.00 0.72 C ATOM 852 ND1 HIS A 57 10.472 0.982 2.338 1.00 1.73 N ATOM 853 CD2 HIS A 57 11.549 2.229 3.758 1.00 0.82 C ATOM 854 CE1 HIS A 57 10.865 2.105 1.725 1.00 1.92 C ATOM 855 NE2 HIS A 57 11.518 2.897 2.546 1.00 1.19 N ATOM 0 H HIS A 57 12.715 -0.026 3.223 1.00 1.06 H new ATOM 0 HA HIS A 57 11.955 -1.645 5.349 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.642 -0.288 4.676 1.00 0.68 H new ATOM 0 HB3 HIS A 57 10.944 0.377 5.642 1.00 0.68 H new ATOM 0 HD1 HIS A 57 9.946 0.217 1.916 1.00 1.73 H new ATOM 0 HD2 HIS A 57 12.016 2.596 4.660 1.00 0.82 H new ATOM 0 HE1 HIS A 57 10.670 2.332 0.687 1.00 1.92 H new ATOM 863 N ALA A 58 10.491 -2.434 2.531 1.00 0.78 N ATOM 864 CA ALA A 58 9.606 -3.402 1.900 1.00 0.75 C ATOM 865 C ALA A 58 10.155 -4.814 2.055 1.00 0.66 C ATOM 866 O ALA A 58 9.396 -5.773 2.193 1.00 0.54 O ATOM 867 CB ALA A 58 9.403 -3.066 0.431 1.00 0.97 C ATOM 0 H ALA A 58 10.982 -1.820 1.882 1.00 0.78 H new ATOM 0 HA ALA A 58 8.638 -3.354 2.399 1.00 0.75 H new ATOM 0 HB1 ALA A 58 8.738 -3.802 -0.022 1.00 0.97 H new ATOM 0 HB2 ALA A 58 8.960 -2.074 0.342 1.00 0.97 H new ATOM 0 HB3 ALA A 58 10.365 -3.081 -0.082 1.00 0.97 H new ATOM 873 N LEU A 59 11.479 -4.929 2.055 1.00 0.78 N ATOM 874 CA LEU A 59 12.138 -6.216 2.244 1.00 0.79 C ATOM 875 C LEU A 59 11.890 -6.682 3.663 1.00 0.66 C ATOM 876 O LEU A 59 11.475 -7.816 3.901 1.00 0.63 O ATOM 877 CB LEU A 59 13.644 -6.086 2.012 1.00 0.98 C ATOM 878 CG LEU A 59 14.044 -5.237 0.808 1.00 1.75 C ATOM 879 CD1 LEU A 59 15.558 -5.106 0.726 1.00 2.28 C ATOM 880 CD2 LEU A 59 13.485 -5.830 -0.476 1.00 2.31 C ATOM 0 H LEU A 59 12.118 -4.144 1.926 1.00 0.78 H new ATOM 0 HA LEU A 59 11.736 -6.935 1.530 1.00 0.79 H new ATOM 0 HB2 LEU A 59 14.098 -5.657 2.906 1.00 0.98 H new ATOM 0 HB3 LEU A 59 14.064 -7.084 1.889 1.00 0.98 H new ATOM 0 HG LEU A 59 13.621 -4.241 0.935 1.00 1.75 H new ATOM 0 HD11 LEU A 59 15.824 -4.498 -0.138 1.00 2.28 H new ATOM 0 HD12 LEU A 59 15.932 -4.631 1.633 1.00 2.28 H new ATOM 0 HD13 LEU A 59 16.004 -6.095 0.624 1.00 2.28 H new ATOM 0 HD21 LEU A 59 13.781 -5.210 -1.322 1.00 2.31 H new ATOM 0 HD22 LEU A 59 13.875 -6.839 -0.611 1.00 2.31 H new ATOM 0 HD23 LEU A 59 12.397 -5.867 -0.416 1.00 2.31 H new ATOM 892 N GLU A 60 12.137 -5.767 4.593 1.00 0.66 N ATOM 893 CA GLU A 60 11.880 -5.997 6.009 1.00 0.65 C ATOM 894 C GLU A 60 10.462 -6.505 6.228 1.00 0.51 C ATOM 895 O GLU A 60 10.244 -7.525 6.878 1.00 0.57 O ATOM 896 CB GLU A 60 12.067 -4.698 6.792 1.00 0.76 C ATOM 897 CG GLU A 60 13.484 -4.156 6.768 1.00 0.99 C ATOM 898 CD GLU A 60 14.449 -5.026 7.538 1.00 1.98 C ATOM 899 OE1 GLU A 60 14.297 -5.148 8.767 1.00 2.64 O ATOM 900 OE2 GLU A 60 15.356 -5.612 6.908 1.00 2.58 O ATOM 0 H GLU A 60 12.521 -4.845 4.386 1.00 0.66 H new ATOM 0 HA GLU A 60 12.586 -6.749 6.361 1.00 0.65 H new ATOM 0 HB2 GLU A 60 11.394 -3.942 6.387 1.00 0.76 H new ATOM 0 HB3 GLU A 60 11.771 -4.865 7.828 1.00 0.76 H new ATOM 0 HG2 GLU A 60 13.820 -4.073 5.735 1.00 0.99 H new ATOM 0 HG3 GLU A 60 13.492 -3.150 7.188 1.00 0.99 H new ATOM 907 N HIS A 61 9.499 -5.795 5.656 1.00 0.43 N ATOM 908 CA HIS A 61 8.095 -6.112 5.858 1.00 0.41 C ATOM 909 C HIS A 61 7.738 -7.480 5.283 1.00 0.38 C ATOM 910 O HIS A 61 6.942 -8.219 5.869 1.00 0.40 O ATOM 911 CB HIS A 61 7.201 -5.037 5.240 1.00 0.57 C ATOM 912 CG HIS A 61 5.765 -5.202 5.621 1.00 0.94 C ATOM 913 ND1 HIS A 61 5.306 -4.989 6.901 1.00 1.54 N ATOM 914 CD2 HIS A 61 4.691 -5.604 4.902 1.00 1.45 C ATOM 915 CE1 HIS A 61 4.020 -5.256 6.955 1.00 1.72 C ATOM 916 NE2 HIS A 61 3.615 -5.630 5.756 1.00 1.60 N ATOM 0 H HIS A 61 9.667 -4.994 5.047 1.00 0.43 H new ATOM 0 HA HIS A 61 7.923 -6.141 6.934 1.00 0.41 H new ATOM 0 HB2 HIS A 61 7.548 -4.054 5.557 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.292 -5.072 4.154 1.00 0.57 H new ATOM 0 HD1 HIS A 61 5.875 -4.673 7.686 1.00 1.54 H new ATOM 0 HD2 HIS A 61 4.682 -5.857 3.852 1.00 1.45 H new ATOM 0 HE1 HIS A 61 3.398 -5.182 7.835 1.00 1.72 H new ATOM 925 N TYR A 62 8.311 -7.811 4.136 1.00 0.44 N ATOM 926 CA TYR A 62 8.055 -9.099 3.507 1.00 0.54 C ATOM 927 C TYR A 62 8.688 -10.222 4.324 1.00 0.59 C ATOM 928 O TYR A 62 8.123 -11.306 4.454 1.00 0.67 O ATOM 929 CB TYR A 62 8.590 -9.116 2.072 1.00 0.69 C ATOM 930 CG TYR A 62 8.349 -10.425 1.353 1.00 0.97 C ATOM 931 CD1 TYR A 62 7.070 -10.798 0.958 1.00 1.08 C ATOM 932 CD2 TYR A 62 9.402 -11.284 1.061 1.00 1.39 C ATOM 933 CE1 TYR A 62 6.848 -11.988 0.292 1.00 1.55 C ATOM 934 CE2 TYR A 62 9.187 -12.477 0.398 1.00 1.89 C ATOM 935 CZ TYR A 62 7.902 -12.838 0.044 1.00 1.97 C ATOM 936 OH TYR A 62 7.691 -14.007 -0.651 1.00 2.50 O ATOM 0 H TYR A 62 8.954 -7.208 3.623 1.00 0.44 H new ATOM 0 HA TYR A 62 6.977 -9.257 3.472 1.00 0.54 H new ATOM 0 HB2 TYR A 62 8.121 -8.309 1.508 1.00 0.69 H new ATOM 0 HB3 TYR A 62 9.661 -8.912 2.089 1.00 0.69 H new ATOM 0 HD1 TYR A 62 6.236 -10.147 1.175 1.00 1.08 H new ATOM 0 HD2 TYR A 62 10.405 -11.014 1.357 1.00 1.39 H new ATOM 0 HE1 TYR A 62 5.852 -12.250 -0.033 1.00 1.55 H new ATOM 0 HE2 TYR A 62 10.019 -13.123 0.158 1.00 1.89 H new ATOM 0 HH TYR A 62 8.538 -14.491 -0.741 1.00 2.50 H new ATOM 946 N ARG A 63 9.850 -9.940 4.891 1.00 0.60 N ATOM 947 CA ARG A 63 10.553 -10.901 5.726 1.00 0.73 C ATOM 948 C ARG A 63 9.850 -11.086 7.069 1.00 0.75 C ATOM 949 O ARG A 63 9.857 -12.177 7.637 1.00 0.87 O ATOM 950 CB ARG A 63 11.995 -10.452 5.927 1.00 0.80 C ATOM 951 CG ARG A 63 12.840 -10.661 4.684 1.00 1.19 C ATOM 952 CD ARG A 63 14.213 -10.029 4.822 1.00 1.33 C ATOM 953 NE ARG A 63 14.909 -10.467 6.032 1.00 1.71 N ATOM 954 CZ ARG A 63 16.163 -10.129 6.334 1.00 2.01 C ATOM 955 NH1 ARG A 63 16.905 -9.441 5.471 1.00 1.88 N ATOM 956 NH2 ARG A 63 16.680 -10.498 7.499 1.00 2.76 N ATOM 0 H ARG A 63 10.330 -9.046 4.787 1.00 0.60 H new ATOM 0 HA ARG A 63 10.550 -11.866 5.220 1.00 0.73 H new ATOM 0 HB2 ARG A 63 12.010 -9.397 6.201 1.00 0.80 H new ATOM 0 HB3 ARG A 63 12.433 -11.004 6.759 1.00 0.80 H new ATOM 0 HG2 ARG A 63 12.949 -11.729 4.494 1.00 1.19 H new ATOM 0 HG3 ARG A 63 12.329 -10.234 3.821 1.00 1.19 H new ATOM 0 HD2 ARG A 63 14.815 -10.280 3.949 1.00 1.33 H new ATOM 0 HD3 ARG A 63 14.111 -8.944 4.837 1.00 1.33 H new ATOM 0 HE ARG A 63 14.404 -11.067 6.684 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.516 -9.167 4.569 1.00 1.88 H new ATOM 0 HH12 ARG A 63 17.863 -9.187 5.711 1.00 1.88 H new ATOM 0 HH21 ARG A 63 16.119 -11.037 8.158 1.00 2.76 H new ATOM 0 HH22 ARG A 63 17.639 -10.242 7.735 1.00 2.76 H new ATOM 970 N ASP A 64 9.242 -10.017 7.571 1.00 0.68 N ATOM 971 CA ASP A 64 8.514 -10.072 8.839 1.00 0.75 C ATOM 972 C ASP A 64 7.164 -10.756 8.700 1.00 0.75 C ATOM 973 O ASP A 64 6.902 -11.767 9.346 1.00 0.89 O ATOM 974 CB ASP A 64 8.287 -8.665 9.402 1.00 0.75 C ATOM 975 CG ASP A 64 9.343 -8.253 10.406 1.00 1.18 C ATOM 976 OD1 ASP A 64 10.446 -7.844 9.978 1.00 1.85 O ATOM 977 OD2 ASP A 64 9.077 -8.335 11.619 1.00 1.43 O ATOM 0 H ASP A 64 9.237 -9.101 7.122 1.00 0.68 H new ATOM 0 HA ASP A 64 9.135 -10.655 9.520 1.00 0.75 H new ATOM 0 HB2 ASP A 64 8.275 -7.948 8.581 1.00 0.75 H new ATOM 0 HB3 ASP A 64 7.306 -8.623 9.876 1.00 0.75 H new ATOM 982 N MET A 65 6.311 -10.207 7.847 1.00 0.63 N ATOM 983 CA MET A 65 4.911 -10.611 7.818 1.00 0.67 C ATOM 984 C MET A 65 4.591 -11.510 6.631 1.00 0.65 C ATOM 985 O MET A 65 3.655 -12.306 6.679 1.00 0.80 O ATOM 986 CB MET A 65 4.017 -9.374 7.802 1.00 0.68 C ATOM 987 CG MET A 65 4.195 -8.506 9.033 1.00 0.75 C ATOM 988 SD MET A 65 3.632 -9.314 10.541 1.00 1.35 S ATOM 989 CE MET A 65 4.042 -8.068 11.763 1.00 1.84 C ATOM 0 H MET A 65 6.560 -9.486 7.170 1.00 0.63 H new ATOM 0 HA MET A 65 4.718 -11.193 8.719 1.00 0.67 H new ATOM 0 HB2 MET A 65 4.236 -8.784 6.912 1.00 0.68 H new ATOM 0 HB3 MET A 65 2.975 -9.685 7.730 1.00 0.68 H new ATOM 0 HG2 MET A 65 5.248 -8.243 9.138 1.00 0.75 H new ATOM 0 HG3 MET A 65 3.646 -7.574 8.898 1.00 0.75 H new ATOM 0 HE1 MET A 65 3.753 -8.421 12.753 1.00 1.84 H new ATOM 0 HE2 MET A 65 5.115 -7.879 11.744 1.00 1.84 H new ATOM 0 HE3 MET A 65 3.507 -7.146 11.536 1.00 1.84 H new ATOM 999 N GLY A 66 5.370 -11.377 5.565 1.00 0.56 N ATOM 1000 CA GLY A 66 5.162 -12.197 4.382 1.00 0.64 C ATOM 1001 C GLY A 66 3.977 -11.750 3.540 1.00 0.70 C ATOM 1002 O GLY A 66 3.533 -12.484 2.661 1.00 1.36 O ATOM 0 H GLY A 66 6.144 -10.716 5.496 1.00 0.56 H new ATOM 0 HA2 GLY A 66 6.063 -12.174 3.769 1.00 0.64 H new ATOM 0 HA3 GLY A 66 5.011 -13.232 4.688 1.00 0.64 H new ATOM 1006 N TYR A 67 3.468 -10.551 3.805 1.00 0.55 N ATOM 1007 CA TYR A 67 2.315 -10.026 3.073 1.00 0.49 C ATOM 1008 C TYR A 67 2.764 -9.089 1.954 1.00 0.53 C ATOM 1009 O TYR A 67 3.100 -7.924 2.190 1.00 0.82 O ATOM 1010 CB TYR A 67 1.353 -9.327 4.030 1.00 0.64 C ATOM 1011 CG TYR A 67 0.679 -10.285 4.985 1.00 1.61 C ATOM 1012 CD1 TYR A 67 -0.321 -11.146 4.553 1.00 2.31 C ATOM 1013 CD2 TYR A 67 1.032 -10.312 6.328 1.00 2.04 C ATOM 1014 CE1 TYR A 67 -0.946 -12.008 5.431 1.00 3.28 C ATOM 1015 CE2 TYR A 67 0.414 -11.173 7.211 1.00 2.98 C ATOM 1016 CZ TYR A 67 -0.543 -12.076 6.724 1.00 3.57 C ATOM 1017 OH TYR A 67 -1.206 -12.870 7.637 1.00 4.55 O ATOM 0 H TYR A 67 3.834 -9.923 4.521 1.00 0.55 H new ATOM 0 HA TYR A 67 1.786 -10.860 2.611 1.00 0.49 H new ATOM 0 HB2 TYR A 67 1.898 -8.575 4.601 1.00 0.64 H new ATOM 0 HB3 TYR A 67 0.592 -8.800 3.453 1.00 0.64 H new ATOM 0 HD1 TYR A 67 -0.614 -11.141 3.514 1.00 2.31 H new ATOM 0 HD2 TYR A 67 1.804 -9.647 6.687 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -1.759 -12.631 5.087 1.00 3.28 H new ATOM 0 HE2 TYR A 67 0.663 -11.152 8.262 1.00 2.98 H new ATOM 0 HH TYR A 67 -0.774 -12.792 8.513 1.00 4.55 H new ATOM 1027 N PRO A 68 2.760 -9.608 0.718 1.00 0.46 N ATOM 1028 CA PRO A 68 3.323 -8.952 -0.462 1.00 0.59 C ATOM 1029 C PRO A 68 2.327 -8.090 -1.240 1.00 0.49 C ATOM 1030 O PRO A 68 2.231 -8.205 -2.466 1.00 0.64 O ATOM 1031 CB PRO A 68 3.736 -10.145 -1.340 1.00 0.80 C ATOM 1032 CG PRO A 68 3.242 -11.377 -0.647 1.00 0.88 C ATOM 1033 CD PRO A 68 2.228 -10.917 0.355 1.00 0.59 C ATOM 0 HA PRO A 68 4.121 -8.265 -0.178 1.00 0.59 H new ATOM 0 HB2 PRO A 68 3.303 -10.061 -2.337 1.00 0.80 H new ATOM 0 HB3 PRO A 68 4.818 -10.178 -1.465 1.00 0.80 H new ATOM 0 HG2 PRO A 68 2.797 -12.072 -1.359 1.00 0.88 H new ATOM 0 HG3 PRO A 68 4.062 -11.903 -0.158 1.00 0.88 H new ATOM 0 HD2 PRO A 68 1.228 -10.850 -0.073 1.00 0.59 H new ATOM 0 HD3 PRO A 68 2.164 -11.587 1.212 1.00 0.59 H new ATOM 1041 N LEU A 69 1.597 -7.225 -0.555 1.00 0.34 N ATOM 1042 CA LEU A 69 0.600 -6.389 -1.222 1.00 0.28 C ATOM 1043 C LEU A 69 0.542 -5.005 -0.594 1.00 0.24 C ATOM 1044 O LEU A 69 0.392 -4.872 0.624 1.00 0.27 O ATOM 1045 CB LEU A 69 -0.772 -7.056 -1.151 1.00 0.34 C ATOM 1046 CG LEU A 69 -0.875 -8.381 -1.900 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -1.856 -9.295 -1.201 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -1.287 -8.144 -3.345 1.00 0.43 C ATOM 0 H LEU A 69 1.671 -7.081 0.452 1.00 0.34 H new ATOM 0 HA LEU A 69 0.890 -6.277 -2.267 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -1.025 -7.225 -0.104 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.517 -6.368 -1.552 1.00 0.34 H new ATOM 0 HG LEU A 69 0.103 -8.863 -1.904 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -1.923 -10.239 -1.742 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -1.515 -9.484 -0.183 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -2.838 -8.822 -1.173 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -1.356 -9.099 -3.865 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -2.257 -7.647 -3.370 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.544 -7.516 -3.837 1.00 0.43 H new ATOM 1060 N ALA A 70 0.665 -3.975 -1.424 1.00 0.22 N ATOM 1061 CA ALA A 70 0.657 -2.605 -0.934 1.00 0.24 C ATOM 1062 C ALA A 70 0.211 -1.625 -2.022 1.00 0.27 C ATOM 1063 O ALA A 70 0.553 -1.780 -3.193 1.00 0.32 O ATOM 1064 CB ALA A 70 2.038 -2.242 -0.415 1.00 0.27 C ATOM 0 H ALA A 70 0.771 -4.064 -2.435 1.00 0.22 H new ATOM 0 HA ALA A 70 -0.063 -2.533 -0.119 1.00 0.24 H new ATOM 0 HB1 ALA A 70 2.031 -1.216 -0.048 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.310 -2.916 0.398 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.766 -2.334 -1.221 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.557 -0.621 -1.619 1.00 0.26 N ATOM 1071 CA VAL A 71 -1.099 0.371 -2.544 1.00 0.29 C ATOM 1072 C VAL A 71 -0.117 1.516 -2.764 1.00 0.30 C ATOM 1073 O VAL A 71 0.336 2.131 -1.802 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.425 0.962 -2.008 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -2.939 2.060 -2.923 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.474 -0.128 -1.847 1.00 0.32 C ATOM 0 H VAL A 71 -0.822 -0.470 -0.646 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.278 -0.142 -3.489 1.00 0.29 H new ATOM 0 HB VAL A 71 -2.226 1.398 -1.029 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -3.872 2.459 -2.524 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -2.200 2.858 -2.984 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -3.115 1.652 -3.918 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.398 0.309 -1.469 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.663 -0.597 -2.813 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -3.114 -0.879 -1.144 1.00 0.32 H new ATOM 1086 N LYS A 72 0.198 1.812 -4.024 1.00 0.33 N ATOM 1087 CA LYS A 72 1.031 2.963 -4.337 1.00 0.36 C ATOM 1088 C LYS A 72 0.217 4.235 -4.164 1.00 0.37 C ATOM 1089 O LYS A 72 -0.580 4.610 -5.025 1.00 0.42 O ATOM 1090 CB LYS A 72 1.591 2.894 -5.760 1.00 0.43 C ATOM 1091 CG LYS A 72 2.553 4.029 -6.071 1.00 0.50 C ATOM 1092 CD LYS A 72 2.940 4.063 -7.539 1.00 0.89 C ATOM 1093 CE LYS A 72 3.827 5.259 -7.836 1.00 0.91 C ATOM 1094 NZ LYS A 72 4.201 5.345 -9.271 1.00 1.54 N ATOM 0 H LYS A 72 -0.109 1.275 -4.835 1.00 0.33 H new ATOM 0 HA LYS A 72 1.878 2.962 -3.651 1.00 0.36 H new ATOM 0 HB2 LYS A 72 2.103 1.942 -5.898 1.00 0.43 H new ATOM 0 HB3 LYS A 72 0.766 2.918 -6.472 1.00 0.43 H new ATOM 0 HG2 LYS A 72 2.094 4.978 -5.795 1.00 0.50 H new ATOM 0 HG3 LYS A 72 3.451 3.920 -5.462 1.00 0.50 H new ATOM 0 HD2 LYS A 72 3.462 3.143 -7.803 1.00 0.89 H new ATOM 0 HD3 LYS A 72 2.042 4.109 -8.155 1.00 0.89 H new ATOM 0 HE2 LYS A 72 3.310 6.173 -7.543 1.00 0.91 H new ATOM 0 HE3 LYS A 72 4.731 5.196 -7.231 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 4.806 6.177 -9.423 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 4.718 4.486 -9.547 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 3.341 5.432 -9.849 1.00 1.54 H new ATOM 1108 N LEU A 73 0.418 4.884 -3.037 1.00 0.33 N ATOM 1109 CA LEU A 73 -0.341 6.065 -2.681 1.00 0.33 C ATOM 1110 C LEU A 73 -0.040 7.221 -3.622 1.00 0.35 C ATOM 1111 O LEU A 73 1.024 7.283 -4.240 1.00 0.38 O ATOM 1112 CB LEU A 73 -0.029 6.446 -1.245 1.00 0.32 C ATOM 1113 CG LEU A 73 -0.264 5.315 -0.246 1.00 0.32 C ATOM 1114 CD1 LEU A 73 0.449 5.586 1.060 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -1.753 5.122 -0.005 1.00 0.35 C ATOM 0 H LEU A 73 1.112 4.608 -2.342 1.00 0.33 H new ATOM 0 HA LEU A 73 -1.404 5.841 -2.774 1.00 0.33 H new ATOM 0 HB2 LEU A 73 1.011 6.766 -1.181 1.00 0.32 H new ATOM 0 HB3 LEU A 73 -0.643 7.301 -0.963 1.00 0.32 H new ATOM 0 HG LEU A 73 0.145 4.399 -0.671 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.264 4.765 1.753 1.00 0.31 H new ATOM 0 HD12 LEU A 73 1.520 5.674 0.878 1.00 0.31 H new ATOM 0 HD13 LEU A 73 0.077 6.515 1.492 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.904 4.313 0.709 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -2.179 6.042 0.394 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -2.244 4.873 -0.945 1.00 0.35 H new ATOM 1127 N GLY A 74 -0.988 8.134 -3.715 1.00 0.37 N ATOM 1128 CA GLY A 74 -0.882 9.222 -4.663 1.00 0.41 C ATOM 1129 C GLY A 74 -1.600 8.923 -5.967 1.00 0.43 C ATOM 1130 O GLY A 74 -1.717 9.795 -6.828 1.00 0.49 O ATOM 0 H GLY A 74 -1.836 8.143 -3.148 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -1.298 10.127 -4.221 1.00 0.41 H new ATOM 0 HA3 GLY A 74 0.170 9.421 -4.868 1.00 0.41 H new ATOM 1134 N THR A 75 -2.088 7.692 -6.114 1.00 0.43 N ATOM 1135 CA THR A 75 -2.788 7.284 -7.331 1.00 0.47 C ATOM 1136 C THR A 75 -4.226 6.895 -7.014 1.00 0.43 C ATOM 1137 O THR A 75 -4.914 6.280 -7.830 1.00 0.43 O ATOM 1138 CB THR A 75 -2.094 6.091 -8.017 1.00 0.50 C ATOM 1139 OG1 THR A 75 -2.112 4.947 -7.150 1.00 0.44 O ATOM 1140 CG2 THR A 75 -0.658 6.431 -8.386 1.00 0.62 C ATOM 0 H THR A 75 -2.012 6.961 -5.407 1.00 0.43 H new ATOM 0 HA THR A 75 -2.771 8.138 -8.008 1.00 0.47 H new ATOM 0 HB THR A 75 -2.640 5.863 -8.932 1.00 0.50 H new ATOM 0 HG1 THR A 75 -1.637 5.159 -6.319 1.00 0.44 H new ATOM 0 HG21 THR A 75 -0.193 5.571 -8.868 1.00 0.62 H new ATOM 0 HG22 THR A 75 -0.649 7.279 -9.070 1.00 0.62 H new ATOM 0 HG23 THR A 75 -0.101 6.686 -7.484 1.00 0.62 H new ATOM 1148 N ILE A 76 -4.668 7.252 -5.818 1.00 0.44 N ATOM 1149 CA ILE A 76 -5.994 6.888 -5.347 1.00 0.43 C ATOM 1150 C ILE A 76 -7.071 7.733 -6.018 1.00 0.46 C ATOM 1151 O ILE A 76 -7.109 8.955 -5.862 1.00 0.53 O ATOM 1152 CB ILE A 76 -6.066 7.031 -3.814 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -5.152 5.999 -3.166 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -7.492 6.867 -3.314 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -4.560 6.464 -1.864 1.00 0.47 C ATOM 0 H ILE A 76 -4.122 7.798 -5.152 1.00 0.44 H new ATOM 0 HA ILE A 76 -6.178 5.847 -5.614 1.00 0.43 H new ATOM 0 HB ILE A 76 -5.734 8.032 -3.540 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -5.715 5.082 -2.994 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -4.345 5.753 -3.857 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -7.512 6.973 -2.229 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -8.126 7.631 -3.765 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -7.863 5.880 -3.589 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -3.920 5.682 -1.456 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -3.970 7.365 -2.034 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -5.361 6.683 -1.158 1.00 0.47 H new ATOM 1167 N THR A 77 -7.919 7.064 -6.786 1.00 0.45 N ATOM 1168 CA THR A 77 -9.005 7.711 -7.499 1.00 0.50 C ATOM 1169 C THR A 77 -10.339 7.083 -7.114 1.00 0.56 C ATOM 1170 O THR A 77 -10.358 6.035 -6.471 1.00 0.62 O ATOM 1171 CB THR A 77 -8.812 7.587 -9.026 1.00 0.51 C ATOM 1172 OG1 THR A 77 -8.674 6.207 -9.400 1.00 1.48 O ATOM 1173 CG2 THR A 77 -7.595 8.369 -9.475 1.00 1.27 C ATOM 0 H THR A 77 -7.871 6.055 -6.931 1.00 0.45 H new ATOM 0 HA THR A 77 -9.003 8.766 -7.224 1.00 0.50 H new ATOM 0 HB THR A 77 -9.693 8.001 -9.517 1.00 0.51 H new ATOM 0 HG1 THR A 77 -8.171 5.729 -8.708 1.00 1.48 H new ATOM 0 HG21 THR A 77 -7.476 8.269 -10.554 1.00 1.27 H new ATOM 0 HG22 THR A 77 -7.724 9.421 -9.220 1.00 1.27 H new ATOM 0 HG23 THR A 77 -6.708 7.981 -8.975 1.00 1.27 H new ATOM 1181 N PRO A 78 -11.473 7.699 -7.493 1.00 0.65 N ATOM 1182 CA PRO A 78 -12.797 7.103 -7.286 1.00 0.73 C ATOM 1183 C PRO A 78 -12.882 5.681 -7.854 1.00 0.75 C ATOM 1184 O PRO A 78 -13.664 4.853 -7.383 1.00 0.98 O ATOM 1185 CB PRO A 78 -13.754 8.043 -8.038 1.00 0.88 C ATOM 1186 CG PRO A 78 -12.886 8.969 -8.825 1.00 1.04 C ATOM 1187 CD PRO A 78 -11.566 9.025 -8.111 1.00 0.74 C ATOM 0 HA PRO A 78 -13.035 7.007 -6.227 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -14.419 7.480 -8.693 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -14.385 8.596 -7.342 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -12.760 8.609 -9.846 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -13.335 9.960 -8.890 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -10.741 9.209 -8.800 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -11.543 9.821 -7.366 1.00 0.74 H new ATOM 1195 N ASP A 79 -12.066 5.411 -8.869 1.00 0.72 N ATOM 1196 CA ASP A 79 -11.992 4.087 -9.479 1.00 0.80 C ATOM 1197 C ASP A 79 -11.234 3.127 -8.577 1.00 0.73 C ATOM 1198 O ASP A 79 -11.730 2.054 -8.230 1.00 0.85 O ATOM 1199 CB ASP A 79 -11.296 4.162 -10.841 1.00 0.90 C ATOM 1200 CG ASP A 79 -12.184 4.720 -11.930 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -12.673 5.858 -11.773 1.00 2.05 O ATOM 1202 OD2 ASP A 79 -12.407 4.025 -12.942 1.00 1.64 O ATOM 0 H ASP A 79 -11.441 6.099 -9.290 1.00 0.72 H new ATOM 0 HA ASP A 79 -13.010 3.721 -9.617 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -10.405 4.783 -10.753 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -10.963 3.165 -11.128 1.00 0.90 H new ATOM 1207 N GLY A 80 -10.036 3.530 -8.191 1.00 0.60 N ATOM 1208 CA GLY A 80 -9.197 2.691 -7.367 1.00 0.62 C ATOM 1209 C GLY A 80 -7.809 3.267 -7.233 1.00 0.52 C ATOM 1210 O GLY A 80 -7.614 4.461 -7.427 1.00 0.65 O ATOM 0 H GLY A 80 -9.627 4.432 -8.436 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -9.645 2.583 -6.379 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -9.139 1.693 -7.801 1.00 0.62 H new ATOM 1214 N ALA A 81 -6.844 2.432 -6.899 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.473 2.892 -6.785 1.00 0.38 C ATOM 1216 C ALA A 81 -4.521 1.902 -7.419 1.00 0.34 C ATOM 1217 O ALA A 81 -4.874 0.743 -7.656 1.00 0.35 O ATOM 1218 CB ALA A 81 -5.111 3.110 -5.330 1.00 0.50 C ATOM 0 H ALA A 81 -6.981 1.440 -6.703 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.385 3.840 -7.315 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -4.079 3.455 -5.259 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -5.775 3.859 -4.898 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -5.218 2.173 -4.784 1.00 0.50 H new ATOM 1224 N ASP A 82 -3.315 2.367 -7.691 1.00 0.34 N ATOM 1225 CA ASP A 82 -2.293 1.529 -8.297 1.00 0.34 C ATOM 1226 C ASP A 82 -1.620 0.693 -7.223 1.00 0.33 C ATOM 1227 O ASP A 82 -0.784 1.183 -6.475 1.00 0.53 O ATOM 1228 CB ASP A 82 -1.261 2.389 -9.033 1.00 0.45 C ATOM 1229 CG ASP A 82 -0.202 1.563 -9.736 1.00 0.92 C ATOM 1230 OD1 ASP A 82 -0.559 0.548 -10.372 1.00 1.25 O ATOM 1231 OD2 ASP A 82 0.996 1.895 -9.618 1.00 1.77 O ATOM 0 H ASP A 82 -3.017 3.324 -7.501 1.00 0.34 H new ATOM 0 HA ASP A 82 -2.761 0.866 -9.024 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -1.772 3.015 -9.765 1.00 0.45 H new ATOM 0 HB3 ASP A 82 -0.779 3.059 -8.321 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.021 -0.558 -7.124 1.00 0.34 N ATOM 1237 CA VAL A 83 -1.483 -1.452 -6.114 1.00 0.41 C ATOM 1238 C VAL A 83 -0.281 -2.189 -6.674 1.00 0.40 C ATOM 1239 O VAL A 83 -0.281 -2.584 -7.831 1.00 0.43 O ATOM 1240 CB VAL A 83 -2.543 -2.478 -5.652 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -2.035 -3.318 -4.489 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -3.839 -1.776 -5.281 1.00 0.70 C ATOM 0 H VAL A 83 -2.721 -0.982 -7.733 1.00 0.34 H new ATOM 0 HA VAL A 83 -1.187 -0.852 -5.254 1.00 0.41 H new ATOM 0 HB VAL A 83 -2.739 -3.152 -6.486 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -2.805 -4.029 -4.190 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -1.140 -3.860 -4.795 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -1.795 -2.668 -3.648 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -4.573 -2.514 -4.958 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -3.652 -1.072 -4.470 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -4.222 -1.238 -6.148 1.00 0.70 H new ATOM 1252 N TYR A 84 0.749 -2.359 -5.876 1.00 0.41 N ATOM 1253 CA TYR A 84 1.891 -3.128 -6.312 1.00 0.42 C ATOM 1254 C TYR A 84 1.988 -4.387 -5.474 1.00 0.42 C ATOM 1255 O TYR A 84 1.920 -4.340 -4.244 1.00 0.44 O ATOM 1256 CB TYR A 84 3.185 -2.320 -6.205 1.00 0.48 C ATOM 1257 CG TYR A 84 4.245 -2.742 -7.200 1.00 0.82 C ATOM 1258 CD1 TYR A 84 5.068 -3.833 -6.954 1.00 1.74 C ATOM 1259 CD2 TYR A 84 4.415 -2.051 -8.394 1.00 1.24 C ATOM 1260 CE1 TYR A 84 6.031 -4.222 -7.866 1.00 2.45 C ATOM 1261 CE2 TYR A 84 5.374 -2.435 -9.312 1.00 1.81 C ATOM 1262 CZ TYR A 84 6.180 -3.520 -9.043 1.00 2.31 C ATOM 1263 OH TYR A 84 7.133 -3.909 -9.958 1.00 3.09 O ATOM 0 H TYR A 84 0.819 -1.980 -4.932 1.00 0.41 H new ATOM 0 HA TYR A 84 1.756 -3.389 -7.362 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.958 -1.264 -6.354 1.00 0.48 H new ATOM 0 HB3 TYR A 84 3.585 -2.421 -5.196 1.00 0.48 H new ATOM 0 HD1 TYR A 84 4.954 -4.387 -6.034 1.00 1.74 H new ATOM 0 HD2 TYR A 84 3.787 -1.199 -8.608 1.00 1.24 H new ATOM 0 HE1 TYR A 84 6.664 -5.072 -7.657 1.00 2.45 H new ATOM 0 HE2 TYR A 84 5.491 -1.888 -10.236 1.00 1.81 H new ATOM 0 HH TYR A 84 6.916 -4.803 -10.296 1.00 3.09 H new ATOM 1273 N SER A 85 2.119 -5.510 -6.140 1.00 0.43 N ATOM 1274 CA SER A 85 2.250 -6.776 -5.457 1.00 0.45 C ATOM 1275 C SER A 85 3.717 -7.175 -5.421 1.00 0.47 C ATOM 1276 O SER A 85 4.358 -7.279 -6.459 1.00 0.59 O ATOM 1277 CB SER A 85 1.410 -7.846 -6.160 1.00 0.51 C ATOM 1278 OG SER A 85 1.411 -9.062 -5.428 1.00 1.41 O ATOM 0 H SER A 85 2.138 -5.573 -7.158 1.00 0.43 H new ATOM 0 HA SER A 85 1.884 -6.681 -4.435 1.00 0.45 H new ATOM 0 HB2 SER A 85 0.387 -7.490 -6.277 1.00 0.51 H new ATOM 0 HB3 SER A 85 1.803 -8.021 -7.161 1.00 0.51 H new ATOM 0 HG SER A 85 1.658 -8.883 -4.497 1.00 1.41 H new ATOM 1284 N PHE A 86 4.250 -7.375 -4.222 1.00 0.47 N ATOM 1285 CA PHE A 86 5.655 -7.726 -4.057 1.00 0.54 C ATOM 1286 C PHE A 86 5.896 -9.168 -4.490 1.00 0.57 C ATOM 1287 O PHE A 86 7.005 -9.541 -4.872 1.00 0.70 O ATOM 1288 CB PHE A 86 6.078 -7.531 -2.597 1.00 0.60 C ATOM 1289 CG PHE A 86 7.562 -7.595 -2.376 1.00 1.16 C ATOM 1290 CD1 PHE A 86 8.359 -6.479 -2.581 1.00 1.30 C ATOM 1291 CD2 PHE A 86 8.158 -8.774 -1.968 1.00 2.19 C ATOM 1292 CE1 PHE A 86 9.723 -6.542 -2.381 1.00 2.20 C ATOM 1293 CE2 PHE A 86 9.524 -8.844 -1.765 1.00 3.16 C ATOM 1294 CZ PHE A 86 10.306 -7.701 -1.962 1.00 3.10 C ATOM 0 H PHE A 86 3.729 -7.300 -3.348 1.00 0.47 H new ATOM 0 HA PHE A 86 6.256 -7.071 -4.687 1.00 0.54 H new ATOM 0 HB2 PHE A 86 5.711 -6.565 -2.249 1.00 0.60 H new ATOM 0 HB3 PHE A 86 5.597 -8.294 -1.985 1.00 0.60 H new ATOM 0 HD1 PHE A 86 7.908 -5.551 -2.900 1.00 1.30 H new ATOM 0 HD2 PHE A 86 7.549 -9.651 -1.806 1.00 2.19 H new ATOM 0 HE1 PHE A 86 10.332 -5.668 -2.557 1.00 2.20 H new ATOM 0 HE2 PHE A 86 9.983 -9.772 -1.457 1.00 3.16 H new ATOM 0 HZ PHE A 86 11.370 -7.737 -1.782 1.00 3.10 H new ATOM 1304 N GLN A 87 4.842 -9.969 -4.441 1.00 0.56 N ATOM 1305 CA GLN A 87 4.931 -11.371 -4.813 1.00 0.67 C ATOM 1306 C GLN A 87 4.926 -11.508 -6.331 1.00 0.72 C ATOM 1307 O GLN A 87 5.766 -12.194 -6.908 1.00 0.84 O ATOM 1308 CB GLN A 87 3.764 -12.151 -4.206 1.00 0.75 C ATOM 1309 CG GLN A 87 3.946 -13.660 -4.245 1.00 0.93 C ATOM 1310 CD GLN A 87 5.121 -14.128 -3.408 1.00 1.56 C ATOM 1311 OE1 GLN A 87 6.248 -14.230 -3.896 1.00 2.36 O ATOM 1312 NE2 GLN A 87 4.870 -14.418 -2.142 1.00 2.08 N ATOM 0 H GLN A 87 3.913 -9.670 -4.146 1.00 0.56 H new ATOM 0 HA GLN A 87 5.864 -11.782 -4.426 1.00 0.67 H new ATOM 0 HB2 GLN A 87 3.630 -11.838 -3.171 1.00 0.75 H new ATOM 0 HB3 GLN A 87 2.849 -11.891 -4.739 1.00 0.75 H new ATOM 0 HG2 GLN A 87 3.036 -14.141 -3.888 1.00 0.93 H new ATOM 0 HG3 GLN A 87 4.091 -13.978 -5.277 1.00 0.93 H new ATOM 0 HE21 GLN A 87 3.923 -14.321 -1.775 1.00 2.08 H new ATOM 0 HE22 GLN A 87 5.623 -14.739 -1.533 1.00 2.08 H new ATOM 1321 N GLU A 88 3.982 -10.827 -6.969 1.00 0.68 N ATOM 1322 CA GLU A 88 3.858 -10.862 -8.421 1.00 0.75 C ATOM 1323 C GLU A 88 4.876 -9.929 -9.074 1.00 0.70 C ATOM 1324 O GLU A 88 5.230 -10.090 -10.241 1.00 0.78 O ATOM 1325 CB GLU A 88 2.442 -10.458 -8.834 1.00 0.80 C ATOM 1326 CG GLU A 88 1.353 -11.329 -8.229 1.00 1.08 C ATOM 1327 CD GLU A 88 1.391 -12.757 -8.731 1.00 1.56 C ATOM 1328 OE1 GLU A 88 2.132 -13.573 -8.151 1.00 2.25 O ATOM 1329 OE2 GLU A 88 0.686 -13.072 -9.707 1.00 2.02 O ATOM 0 H GLU A 88 3.289 -10.242 -6.502 1.00 0.68 H new ATOM 0 HA GLU A 88 4.055 -11.879 -8.759 1.00 0.75 H new ATOM 0 HB2 GLU A 88 2.270 -9.422 -8.541 1.00 0.80 H new ATOM 0 HB3 GLU A 88 2.365 -10.499 -9.921 1.00 0.80 H new ATOM 0 HG2 GLU A 88 1.456 -11.328 -7.144 1.00 1.08 H new ATOM 0 HG3 GLU A 88 0.380 -10.895 -8.457 1.00 1.08 H new ATOM 1336 N GLU A 89 5.335 -8.953 -8.287 1.00 0.62 N ATOM 1337 CA GLU A 89 6.305 -7.950 -8.729 1.00 0.65 C ATOM 1338 C GLU A 89 5.760 -7.106 -9.877 1.00 0.62 C ATOM 1339 O GLU A 89 6.516 -6.512 -10.642 1.00 0.78 O ATOM 1340 CB GLU A 89 7.636 -8.599 -9.109 1.00 0.80 C ATOM 1341 CG GLU A 89 8.407 -9.113 -7.906 1.00 1.48 C ATOM 1342 CD GLU A 89 9.721 -9.759 -8.284 1.00 1.67 C ATOM 1343 OE1 GLU A 89 10.631 -9.036 -8.740 1.00 1.55 O ATOM 1344 OE2 GLU A 89 9.844 -10.996 -8.147 1.00 2.29 O ATOM 0 H GLU A 89 5.041 -8.836 -7.317 1.00 0.62 H new ATOM 0 HA GLU A 89 6.485 -7.280 -7.888 1.00 0.65 H new ATOM 0 HB2 GLU A 89 7.449 -9.425 -9.795 1.00 0.80 H new ATOM 0 HB3 GLU A 89 8.249 -7.873 -9.644 1.00 0.80 H new ATOM 0 HG2 GLU A 89 8.598 -8.286 -7.222 1.00 1.48 H new ATOM 0 HG3 GLU A 89 7.793 -9.836 -7.369 1.00 1.48 H new ATOM 1351 N GLU A 90 4.441 -7.026 -9.958 1.00 0.49 N ATOM 1352 CA GLU A 90 3.779 -6.268 -11.006 1.00 0.53 C ATOM 1353 C GLU A 90 2.698 -5.372 -10.409 1.00 0.45 C ATOM 1354 O GLU A 90 2.199 -5.637 -9.309 1.00 0.44 O ATOM 1355 CB GLU A 90 3.168 -7.222 -12.041 1.00 0.67 C ATOM 1356 CG GLU A 90 2.140 -8.185 -11.472 1.00 1.26 C ATOM 1357 CD GLU A 90 1.580 -9.128 -12.519 1.00 1.72 C ATOM 1358 OE1 GLU A 90 2.183 -10.199 -12.747 1.00 2.10 O ATOM 1359 OE2 GLU A 90 0.532 -8.803 -13.118 1.00 2.05 O ATOM 0 H GLU A 90 3.804 -7.481 -9.304 1.00 0.49 H new ATOM 0 HA GLU A 90 4.517 -5.638 -11.502 1.00 0.53 H new ATOM 0 HB2 GLU A 90 2.700 -6.633 -12.829 1.00 0.67 H new ATOM 0 HB3 GLU A 90 3.969 -7.797 -12.506 1.00 0.67 H new ATOM 0 HG2 GLU A 90 2.597 -8.767 -10.672 1.00 1.26 H new ATOM 0 HG3 GLU A 90 1.323 -7.617 -11.026 1.00 1.26 H new ATOM 1366 N PRO A 91 2.355 -4.281 -11.109 1.00 0.47 N ATOM 1367 CA PRO A 91 1.262 -3.394 -10.713 1.00 0.45 C ATOM 1368 C PRO A 91 -0.090 -4.071 -10.906 1.00 0.44 C ATOM 1369 O PRO A 91 -0.458 -4.439 -12.024 1.00 0.51 O ATOM 1370 CB PRO A 91 1.397 -2.188 -11.656 1.00 0.54 C ATOM 1371 CG PRO A 91 2.726 -2.342 -12.317 1.00 0.64 C ATOM 1372 CD PRO A 91 3.007 -3.814 -12.339 1.00 0.60 C ATOM 0 HA PRO A 91 1.316 -3.117 -9.660 1.00 0.45 H new ATOM 0 HB2 PRO A 91 0.593 -2.174 -12.392 1.00 0.54 H new ATOM 0 HB3 PRO A 91 1.340 -1.250 -11.103 1.00 0.54 H new ATOM 0 HG2 PRO A 91 2.709 -1.933 -13.327 1.00 0.64 H new ATOM 0 HG3 PRO A 91 3.500 -1.805 -11.768 1.00 0.64 H new ATOM 0 HD2 PRO A 91 2.591 -4.293 -13.225 1.00 0.60 H new ATOM 0 HD3 PRO A 91 4.077 -4.023 -12.336 1.00 0.60 H new ATOM 1380 N VAL A 92 -0.820 -4.244 -9.818 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.082 -4.960 -9.852 1.00 0.44 C ATOM 1382 C VAL A 92 -3.239 -4.093 -9.377 1.00 0.46 C ATOM 1383 O VAL A 92 -3.058 -3.063 -8.725 1.00 0.58 O ATOM 1384 CB VAL A 92 -2.046 -6.233 -8.976 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -1.007 -7.215 -9.482 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -1.772 -5.884 -7.523 1.00 0.46 C ATOM 0 H VAL A 92 -0.558 -3.896 -8.896 1.00 0.41 H new ATOM 0 HA VAL A 92 -2.235 -5.237 -10.895 1.00 0.44 H new ATOM 0 HB VAL A 92 -3.026 -6.705 -9.041 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -1.004 -8.101 -8.847 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -1.247 -7.503 -10.505 1.00 0.50 H new ATOM 0 HG13 VAL A 92 -0.023 -6.748 -9.458 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -1.752 -6.797 -6.927 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -0.809 -5.378 -7.446 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -2.558 -5.226 -7.152 1.00 0.46 H new ATOM 1396 N LEU A 93 -4.429 -4.522 -9.735 1.00 0.56 N ATOM 1397 CA LEU A 93 -5.657 -3.934 -9.229 1.00 0.59 C ATOM 1398 C LEU A 93 -6.118 -4.734 -8.025 1.00 0.56 C ATOM 1399 O LEU A 93 -5.711 -5.876 -7.868 1.00 0.66 O ATOM 1400 CB LEU A 93 -6.741 -3.988 -10.295 1.00 0.67 C ATOM 1401 CG LEU A 93 -7.466 -2.677 -10.579 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -7.691 -1.869 -9.310 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -6.720 -1.859 -11.618 1.00 1.49 C ATOM 0 H LEU A 93 -4.577 -5.292 -10.388 1.00 0.56 H new ATOM 0 HA LEU A 93 -5.473 -2.895 -8.955 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.292 -4.340 -11.224 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -7.480 -4.731 -9.996 1.00 0.67 H new ATOM 0 HG LEU A 93 -8.447 -2.929 -10.982 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -8.210 -0.943 -9.556 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -8.294 -2.449 -8.612 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -6.730 -1.636 -8.852 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -7.257 -0.929 -11.803 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -5.718 -1.633 -11.252 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -6.648 -2.427 -12.545 1.00 1.49 H new ATOM 1415 N ASP A 94 -6.971 -4.167 -7.193 1.00 0.57 N ATOM 1416 CA ASP A 94 -7.528 -4.926 -6.080 1.00 0.54 C ATOM 1417 C ASP A 94 -9.011 -4.636 -5.932 1.00 0.53 C ATOM 1418 O ASP A 94 -9.415 -3.490 -5.741 1.00 0.54 O ATOM 1419 CB ASP A 94 -6.814 -4.632 -4.762 1.00 0.56 C ATOM 1420 CG ASP A 94 -7.101 -5.710 -3.735 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -6.382 -6.734 -3.734 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -8.063 -5.549 -2.954 1.00 0.85 O ATOM 0 H ASP A 94 -7.291 -3.201 -7.260 1.00 0.57 H new ATOM 0 HA ASP A 94 -7.380 -5.981 -6.310 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -5.740 -4.565 -4.934 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -7.136 -3.664 -4.378 1.00 0.56 H new ATOM 1427 N PRO A 95 -9.845 -5.672 -6.051 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.298 -5.553 -5.904 1.00 0.66 C ATOM 1429 C PRO A 95 -11.736 -5.343 -4.452 1.00 0.64 C ATOM 1430 O PRO A 95 -12.919 -5.140 -4.177 1.00 0.74 O ATOM 1431 CB PRO A 95 -11.823 -6.900 -6.423 1.00 0.75 C ATOM 1432 CG PRO A 95 -10.665 -7.524 -7.126 1.00 0.77 C ATOM 1433 CD PRO A 95 -9.454 -7.040 -6.393 1.00 0.66 C ATOM 0 HA PRO A 95 -11.682 -4.687 -6.442 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -12.172 -7.529 -5.604 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -12.666 -6.760 -7.100 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -10.730 -8.612 -7.103 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -10.635 -7.228 -8.175 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -9.244 -7.640 -5.507 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -8.560 -7.067 -7.016 1.00 0.66 H new ATOM 1441 N HIS A 96 -10.789 -5.394 -3.523 1.00 0.58 N ATOM 1442 CA HIS A 96 -11.107 -5.253 -2.108 1.00 0.64 C ATOM 1443 C HIS A 96 -10.402 -4.046 -1.495 1.00 0.57 C ATOM 1444 O HIS A 96 -10.205 -3.987 -0.278 1.00 0.58 O ATOM 1445 CB HIS A 96 -10.743 -6.527 -1.337 1.00 0.80 C ATOM 1446 CG HIS A 96 -11.574 -7.715 -1.716 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -11.037 -8.925 -2.109 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -12.918 -7.877 -1.752 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -12.016 -9.773 -2.372 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -13.165 -9.162 -2.164 1.00 1.31 N ATOM 0 H HIS A 96 -9.798 -5.531 -3.723 1.00 0.58 H new ATOM 0 HA HIS A 96 -12.182 -5.092 -2.030 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -9.692 -6.759 -1.510 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -10.856 -6.340 -0.269 1.00 0.80 H new ATOM 0 HD1 HIS A 96 -10.041 -9.132 -2.184 1.00 1.93 H new ATOM 0 HD2 HIS A 96 -13.659 -7.132 -1.502 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -11.895 -10.794 -2.702 1.00 1.93 H new ATOM 1459 N LEU A 97 -10.036 -3.083 -2.339 1.00 0.56 N ATOM 1460 CA LEU A 97 -9.459 -1.825 -1.870 1.00 0.54 C ATOM 1461 C LEU A 97 -10.379 -1.182 -0.846 1.00 0.54 C ATOM 1462 O LEU A 97 -9.939 -0.741 0.220 1.00 0.55 O ATOM 1463 CB LEU A 97 -9.264 -0.853 -3.038 1.00 0.59 C ATOM 1464 CG LEU A 97 -8.250 -1.270 -4.100 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -8.290 -0.302 -5.266 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -6.853 -1.338 -3.510 1.00 0.63 C ATOM 0 H LEU A 97 -10.129 -3.150 -3.353 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.492 -2.043 -1.417 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -10.228 -0.704 -3.524 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -8.959 0.112 -2.633 1.00 0.59 H new ATOM 0 HG LEU A 97 -8.513 -2.264 -4.462 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -7.563 -0.608 -6.018 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -9.288 -0.302 -5.705 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -8.048 0.701 -4.915 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -6.146 -1.637 -4.283 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -6.574 -0.358 -3.122 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -6.835 -2.068 -2.700 1.00 0.63 H new ATOM 1478 N ALA A 98 -11.662 -1.156 -1.183 1.00 0.58 N ATOM 1479 CA ALA A 98 -12.680 -0.560 -0.331 1.00 0.63 C ATOM 1480 C ALA A 98 -12.681 -1.179 1.060 1.00 0.61 C ATOM 1481 O ALA A 98 -12.936 -0.491 2.040 1.00 0.65 O ATOM 1482 CB ALA A 98 -14.051 -0.705 -0.972 1.00 0.74 C ATOM 0 H ALA A 98 -12.025 -1.547 -2.053 1.00 0.58 H new ATOM 0 HA ALA A 98 -12.444 0.499 -0.222 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -14.804 -0.255 -0.325 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -14.056 -0.202 -1.939 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -14.277 -1.762 -1.112 1.00 0.74 H new ATOM 1488 N LYS A 99 -12.375 -2.471 1.144 1.00 0.60 N ATOM 1489 CA LYS A 99 -12.380 -3.170 2.423 1.00 0.64 C ATOM 1490 C LYS A 99 -11.244 -2.676 3.304 1.00 0.58 C ATOM 1491 O LYS A 99 -11.434 -2.392 4.496 1.00 0.61 O ATOM 1492 CB LYS A 99 -12.231 -4.676 2.218 1.00 0.73 C ATOM 1493 CG LYS A 99 -12.403 -5.472 3.503 1.00 0.89 C ATOM 1494 CD LYS A 99 -12.029 -6.936 3.331 1.00 1.73 C ATOM 1495 CE LYS A 99 -10.534 -7.114 3.123 1.00 2.30 C ATOM 1496 NZ LYS A 99 -10.137 -8.547 3.172 1.00 2.81 N ATOM 0 H LYS A 99 -12.122 -3.052 0.345 1.00 0.60 H new ATOM 0 HA LYS A 99 -13.334 -2.966 2.909 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -12.967 -5.012 1.488 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -11.247 -4.884 1.797 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -11.786 -5.031 4.286 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -13.439 -5.401 3.836 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -12.343 -7.498 4.211 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -12.567 -7.351 2.479 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -10.248 -6.690 2.160 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -9.992 -6.560 3.889 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -9.137 -8.621 3.450 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -10.727 -9.047 3.867 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -10.268 -8.976 2.234 1.00 2.81 H new ATOM 1510 N HIS A 100 -10.062 -2.553 2.708 1.00 0.55 N ATOM 1511 CA HIS A 100 -8.893 -2.124 3.455 1.00 0.59 C ATOM 1512 C HIS A 100 -9.093 -0.700 3.949 1.00 0.57 C ATOM 1513 O HIS A 100 -8.755 -0.374 5.083 1.00 0.62 O ATOM 1514 CB HIS A 100 -7.618 -2.220 2.614 1.00 0.69 C ATOM 1515 CG HIS A 100 -6.374 -2.051 3.428 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -6.164 -2.709 4.618 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -5.276 -1.290 3.225 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -4.994 -2.364 5.114 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -4.429 -1.503 4.287 1.00 3.34 N ATOM 0 H HIS A 100 -9.893 -2.743 1.720 1.00 0.55 H new ATOM 0 HA HIS A 100 -8.774 -2.792 4.308 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -7.590 -3.188 2.113 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -7.644 -1.458 1.835 1.00 0.69 H new ATOM 0 HD1 HIS A 100 -6.815 -3.364 5.050 1.00 2.69 H new ATOM 0 HD2 HIS A 100 -5.097 -0.636 2.385 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -4.569 -2.724 6.039 1.00 3.49 H new ATOM 1528 N LEU A 101 -9.673 0.132 3.095 1.00 0.58 N ATOM 1529 CA LEU A 101 -9.920 1.522 3.427 1.00 0.66 C ATOM 1530 C LEU A 101 -11.078 1.648 4.403 1.00 0.68 C ATOM 1531 O LEU A 101 -11.118 2.569 5.212 1.00 0.76 O ATOM 1532 CB LEU A 101 -10.229 2.315 2.165 1.00 0.70 C ATOM 1533 CG LEU A 101 -9.228 2.138 1.027 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -9.643 2.971 -0.172 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -7.825 2.512 1.478 1.00 0.79 C ATOM 0 H LEU A 101 -9.982 -0.138 2.161 1.00 0.58 H new ATOM 0 HA LEU A 101 -9.022 1.923 3.897 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -11.217 2.027 1.807 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -10.279 3.373 2.423 1.00 0.70 H new ATOM 0 HG LEU A 101 -9.220 1.088 0.736 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -8.920 2.836 -0.977 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -10.629 2.653 -0.512 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -9.678 4.023 0.111 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -7.129 2.378 0.650 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -7.811 3.554 1.798 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.528 1.873 2.309 1.00 0.79 H new ATOM 1547 N ALA A 102 -12.020 0.720 4.319 1.00 0.68 N ATOM 1548 CA ALA A 102 -13.179 0.712 5.210 1.00 0.78 C ATOM 1549 C ALA A 102 -12.756 0.598 6.668 1.00 0.76 C ATOM 1550 O ALA A 102 -13.331 1.249 7.539 1.00 0.85 O ATOM 1551 CB ALA A 102 -14.128 -0.418 4.853 1.00 0.88 C ATOM 0 H ALA A 102 -12.007 -0.042 3.641 1.00 0.68 H new ATOM 0 HA ALA A 102 -13.699 1.661 5.078 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -14.982 -0.403 5.530 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.475 -0.291 3.828 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -13.609 -1.372 4.945 1.00 0.88 H new ATOM 1557 N HIS A 103 -11.737 -0.217 6.931 1.00 0.72 N ATOM 1558 CA HIS A 103 -11.194 -0.344 8.285 1.00 0.79 C ATOM 1559 C HIS A 103 -10.556 0.978 8.732 1.00 0.88 C ATOM 1560 O HIS A 103 -10.257 1.178 9.909 1.00 1.02 O ATOM 1561 CB HIS A 103 -10.164 -1.480 8.354 1.00 0.86 C ATOM 1562 CG HIS A 103 -9.668 -1.776 9.743 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -10.436 -2.404 10.696 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -8.475 -1.518 10.334 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -9.743 -2.518 11.813 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -8.550 -1.991 11.620 1.00 1.52 N ATOM 0 H HIS A 103 -11.272 -0.796 6.232 1.00 0.72 H new ATOM 0 HA HIS A 103 -12.016 -0.583 8.960 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -10.608 -2.384 7.938 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -9.313 -1.223 7.723 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -7.625 -1.032 9.878 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -10.094 -2.967 12.730 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -7.804 -1.943 12.314 1.00 1.52 H new ATOM 1575 N PHE A 104 -10.367 1.877 7.779 1.00 0.86 N ATOM 1576 CA PHE A 104 -9.728 3.160 8.035 1.00 1.03 C ATOM 1577 C PHE A 104 -10.736 4.294 7.954 1.00 1.11 C ATOM 1578 O PHE A 104 -10.419 5.445 8.248 1.00 1.29 O ATOM 1579 CB PHE A 104 -8.606 3.379 7.020 1.00 1.06 C ATOM 1580 CG PHE A 104 -7.499 2.372 7.151 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -7.045 1.983 8.401 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -6.930 1.801 6.028 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -6.046 1.039 8.528 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -5.928 0.858 6.148 1.00 1.35 C ATOM 1585 CZ PHE A 104 -5.487 0.475 7.399 1.00 1.30 C ATOM 0 H PHE A 104 -10.651 1.739 6.809 1.00 0.86 H new ATOM 0 HA PHE A 104 -9.312 3.150 9.043 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -9.019 3.330 6.012 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -8.197 4.381 7.148 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -7.478 2.424 9.287 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -7.272 2.095 5.047 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -5.703 0.742 9.508 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -5.490 0.420 5.263 1.00 1.35 H new ATOM 0 HZ PHE A 104 -4.706 -0.265 7.494 1.00 1.30 H new ATOM 1595 N GLY A 105 -11.955 3.961 7.554 1.00 1.03 N ATOM 1596 CA GLY A 105 -12.974 4.973 7.362 1.00 1.17 C ATOM 1597 C GLY A 105 -12.764 5.737 6.074 1.00 1.18 C ATOM 1598 O GLY A 105 -13.440 6.728 5.803 1.00 1.35 O ATOM 0 H GLY A 105 -12.257 3.006 7.359 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -13.957 4.503 7.350 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -12.962 5.666 8.203 1.00 1.17 H new ATOM 1602 N ILE A 106 -11.816 5.268 5.284 1.00 1.03 N ATOM 1603 CA ILE A 106 -11.502 5.881 4.015 1.00 1.04 C ATOM 1604 C ILE A 106 -12.418 5.347 2.926 1.00 0.98 C ATOM 1605 O ILE A 106 -12.682 4.147 2.847 1.00 0.96 O ATOM 1606 CB ILE A 106 -10.034 5.630 3.627 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -9.104 6.220 4.688 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -9.737 6.224 2.254 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -7.642 5.947 4.424 1.00 1.22 C ATOM 0 H ILE A 106 -11.245 4.453 5.507 1.00 1.03 H new ATOM 0 HA ILE A 106 -11.655 6.955 4.118 1.00 1.04 H new ATOM 0 HB ILE A 106 -9.861 4.555 3.575 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -9.261 7.297 4.739 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -9.372 5.812 5.663 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -8.695 6.038 1.995 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -10.385 5.761 1.509 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -9.919 7.298 2.275 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -7.040 6.394 5.215 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -7.471 4.871 4.402 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -7.359 6.379 3.464 1.00 1.22 H new ATOM 1621 N ASP A 107 -12.935 6.250 2.121 1.00 1.09 N ATOM 1622 CA ASP A 107 -13.714 5.879 0.957 1.00 1.17 C ATOM 1623 C ASP A 107 -13.216 6.678 -0.226 1.00 1.10 C ATOM 1624 O ASP A 107 -12.875 7.855 -0.082 1.00 1.21 O ATOM 1625 CB ASP A 107 -15.196 6.164 1.176 1.00 1.52 C ATOM 1626 CG ASP A 107 -16.063 5.525 0.109 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -16.218 6.118 -0.980 1.00 2.14 O ATOM 1628 OD2 ASP A 107 -16.595 4.425 0.357 1.00 2.60 O ATOM 0 H ASP A 107 -12.829 7.256 2.252 1.00 1.09 H new ATOM 0 HA ASP A 107 -13.599 4.810 0.776 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -15.495 5.793 2.156 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -15.361 7.241 1.179 1.00 1.52 H new ATOM 1633 N MET A 108 -13.170 6.043 -1.386 1.00 0.98 N ATOM 1634 CA MET A 108 -12.693 6.696 -2.595 1.00 0.94 C ATOM 1635 C MET A 108 -13.554 7.906 -2.941 1.00 1.07 C ATOM 1636 O MET A 108 -13.060 8.923 -3.424 1.00 1.20 O ATOM 1637 CB MET A 108 -12.705 5.731 -3.774 1.00 0.87 C ATOM 1638 CG MET A 108 -11.850 4.501 -3.554 1.00 0.96 C ATOM 1639 SD MET A 108 -10.088 4.830 -3.717 1.00 1.72 S ATOM 1640 CE MET A 108 -9.423 3.171 -3.641 1.00 2.07 C ATOM 0 H MET A 108 -13.458 5.073 -1.516 1.00 0.98 H new ATOM 0 HA MET A 108 -11.671 7.024 -2.403 1.00 0.94 H new ATOM 0 HB2 MET A 108 -13.731 5.421 -3.969 1.00 0.87 H new ATOM 0 HB3 MET A 108 -12.355 6.253 -4.665 1.00 0.87 H new ATOM 0 HG2 MET A 108 -12.049 4.100 -2.560 1.00 0.96 H new ATOM 0 HG3 MET A 108 -12.138 3.732 -4.271 1.00 0.96 H new ATOM 0 HE1 MET A 108 -8.508 3.172 -3.048 1.00 2.07 H new ATOM 0 HE2 MET A 108 -10.154 2.507 -3.179 1.00 2.07 H new ATOM 0 HE3 MET A 108 -9.201 2.821 -4.649 1.00 2.07 H new ATOM 1650 N LEU A 109 -14.850 7.787 -2.679 1.00 1.17 N ATOM 1651 CA LEU A 109 -15.802 8.817 -3.052 1.00 1.40 C ATOM 1652 C LEU A 109 -15.936 9.859 -1.954 1.00 1.71 C ATOM 1653 O LEU A 109 -16.572 10.896 -2.149 1.00 2.17 O ATOM 1654 CB LEU A 109 -17.165 8.194 -3.346 1.00 1.57 C ATOM 1655 CG LEU A 109 -17.154 7.040 -4.348 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -18.571 6.668 -4.731 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -16.334 7.398 -5.577 1.00 1.30 C ATOM 0 H LEU A 109 -15.264 6.983 -2.208 1.00 1.17 H new ATOM 0 HA LEU A 109 -15.431 9.310 -3.951 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -17.592 7.836 -2.409 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -17.829 8.973 -3.721 1.00 1.57 H new ATOM 0 HG LEU A 109 -16.686 6.176 -3.877 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -18.551 5.845 -5.445 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -19.120 6.362 -3.841 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -19.064 7.529 -5.183 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -16.341 6.561 -6.275 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -16.764 8.276 -6.058 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -15.308 7.614 -5.280 1.00 1.30 H new ATOM 1669 N HIS A 110 -15.318 9.587 -0.807 1.00 1.70 N ATOM 1670 CA HIS A 110 -15.401 10.486 0.339 1.00 2.08 C ATOM 1671 C HIS A 110 -14.745 11.818 0.001 1.00 2.42 C ATOM 1672 O HIS A 110 -15.126 12.859 0.531 1.00 2.88 O ATOM 1673 CB HIS A 110 -14.728 9.867 1.567 1.00 2.46 C ATOM 1674 CG HIS A 110 -15.144 10.486 2.872 1.00 2.88 C ATOM 1675 ND1 HIS A 110 -14.483 11.547 3.461 1.00 3.40 N ATOM 1676 CD2 HIS A 110 -16.159 10.169 3.715 1.00 3.25 C ATOM 1677 CE1 HIS A 110 -15.071 11.848 4.608 1.00 3.81 C ATOM 1678 NE2 HIS A 110 -16.089 11.029 4.780 1.00 3.69 N ATOM 0 H HIS A 110 -14.755 8.752 -0.648 1.00 1.70 H new ATOM 0 HA HIS A 110 -16.453 10.651 0.572 1.00 2.08 H new ATOM 0 HB2 HIS A 110 -14.955 8.801 1.594 1.00 2.46 H new ATOM 0 HB3 HIS A 110 -13.647 9.960 1.461 1.00 2.46 H new ATOM 0 HD2 HIS A 110 -16.887 9.384 3.573 1.00 3.25 H new ATOM 0 HE1 HIS A 110 -14.768 12.631 5.287 1.00 3.81 H new ATOM 0 HE2 HIS A 110 -16.724 11.034 5.578 1.00 3.69 H new ATOM 1687 N MET A 111 -13.750 11.772 -0.880 1.00 2.65 N ATOM 1688 CA MET A 111 -13.117 12.984 -1.376 1.00 3.48 C ATOM 1689 C MET A 111 -13.994 13.594 -2.461 1.00 3.63 C ATOM 1690 O MET A 111 -14.684 14.588 -2.234 1.00 4.24 O ATOM 1691 CB MET A 111 -11.728 12.677 -1.944 1.00 4.22 C ATOM 1692 CG MET A 111 -10.808 11.957 -0.973 1.00 4.76 C ATOM 1693 SD MET A 111 -9.204 11.562 -1.701 1.00 5.56 S ATOM 1694 CE MET A 111 -8.461 10.594 -0.386 1.00 6.12 C ATOM 0 H MET A 111 -13.367 10.908 -1.263 1.00 2.65 H new ATOM 0 HA MET A 111 -13.001 13.687 -0.551 1.00 3.48 H new ATOM 0 HB2 MET A 111 -11.840 12.068 -2.841 1.00 4.22 H new ATOM 0 HB3 MET A 111 -11.257 13.611 -2.250 1.00 4.22 H new ATOM 0 HG2 MET A 111 -10.659 12.579 -0.090 1.00 4.76 H new ATOM 0 HG3 MET A 111 -11.287 11.037 -0.638 1.00 4.76 H new ATOM 0 HE1 MET A 111 -7.421 10.382 -0.634 1.00 6.12 H new ATOM 0 HE2 MET A 111 -8.504 11.155 0.548 1.00 6.12 H new ATOM 0 HE3 MET A 111 -9.006 9.657 -0.272 1.00 6.12 H new ATOM 1704 N HIS A 112 -13.966 12.973 -3.636 1.00 3.37 N ATOM 1705 CA HIS A 112 -14.854 13.333 -4.735 1.00 3.76 C ATOM 1706 C HIS A 112 -14.777 12.278 -5.832 1.00 3.53 C ATOM 1707 O HIS A 112 -13.740 12.086 -6.462 1.00 4.16 O ATOM 1708 CB HIS A 112 -14.552 14.742 -5.293 1.00 4.50 C ATOM 1709 CG HIS A 112 -13.138 14.970 -5.750 1.00 5.27 C ATOM 1710 ND1 HIS A 112 -12.169 15.537 -4.946 1.00 5.75 N ATOM 1711 CD2 HIS A 112 -12.537 14.730 -6.940 1.00 6.01 C ATOM 1712 CE1 HIS A 112 -11.041 15.633 -5.620 1.00 6.61 C ATOM 1713 NE2 HIS A 112 -11.238 15.151 -6.830 1.00 6.78 N ATOM 0 H HIS A 112 -13.328 12.207 -3.853 1.00 3.37 H new ATOM 0 HA HIS A 112 -15.872 13.366 -4.346 1.00 3.76 H new ATOM 0 HB2 HIS A 112 -15.221 14.932 -6.132 1.00 4.50 H new ATOM 0 HB3 HIS A 112 -14.789 15.477 -4.523 1.00 4.50 H new ATOM 0 HD2 HIS A 112 -12.996 14.289 -7.812 1.00 6.01 H new ATOM 0 HE1 HIS A 112 -10.113 16.038 -5.244 1.00 6.61 H new ATOM 0 HE2 HIS A 112 -10.535 15.099 -7.568 1.00 6.78 H new ATOM 1722 N GLY A 113 -15.868 11.557 -6.013 1.00 2.99 N ATOM 1723 CA GLY A 113 -15.941 10.581 -7.074 1.00 3.33 C ATOM 1724 C GLY A 113 -17.169 10.777 -7.926 1.00 3.80 C ATOM 1725 O GLY A 113 -17.102 10.717 -9.153 1.00 4.08 O ATOM 0 H GLY A 113 -16.709 11.631 -5.441 1.00 2.99 H new ATOM 0 HA2 GLY A 113 -15.050 10.653 -7.697 1.00 3.33 H new ATOM 0 HA3 GLY A 113 -15.950 9.578 -6.647 1.00 3.33 H new ATOM 1729 N THR A 114 -18.292 11.012 -7.272 1.00 4.30 N ATOM 1730 CA THR A 114 -19.544 11.237 -7.959 1.00 5.21 C ATOM 1731 C THR A 114 -19.578 12.633 -8.572 1.00 5.66 C ATOM 1732 O THR A 114 -19.676 12.738 -9.811 1.00 6.13 O ATOM 1733 CB THR A 114 -20.731 11.038 -7.000 1.00 5.98 C ATOM 1734 OG1 THR A 114 -20.457 11.668 -5.740 1.00 6.34 O ATOM 1735 CG2 THR A 114 -21.007 9.560 -6.779 1.00 6.29 C ATOM 1736 OXT THR A 114 -19.449 13.620 -7.817 1.00 5.90 O ATOM 0 H THR A 114 -18.359 11.052 -6.255 1.00 4.30 H new ATOM 0 HA THR A 114 -19.628 10.508 -8.765 1.00 5.21 H new ATOM 0 HB THR A 114 -21.612 11.494 -7.452 1.00 5.98 H new ATOM 0 HG1 THR A 114 -20.028 12.535 -5.894 1.00 6.34 H new ATOM 0 HG21 THR A 114 -21.850 9.445 -6.098 1.00 6.29 H new ATOM 0 HG22 THR A 114 -21.244 9.088 -7.732 1.00 6.29 H new ATOM 0 HG23 THR A 114 -20.125 9.086 -6.348 1.00 6.29 H new TER 1744 THR A 114 HETATM 1745 ZN ZN A 124 11.074 4.832 2.573 1.00 0.64 ZN