USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 HIS : no HE2:sc= -19.3! C(o=-19!,f=-22!) USER MOD Set 1.2: A 113 SER OG : rot 180:sc= -0.0874 USER MOD Set 2.1: A 85 HIS : no HD1:sc=-0.00265 K(o=-0.16,f=-3.8) USER MOD Set 2.2: A 107 MET CE :methyl -151:sc= -0.16 (180deg=0) USER MOD Set 3.1: A 18 HIS : no HD1:sc= -2.36 K(o=-5.5,f=-12!) USER MOD Set 3.2: A 37 MET CE :methyl -151:sc= -3.13! (180deg=-3.18!) USER MOD Set 4.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 100 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.53) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -0.0149 (180deg=-0.159) USER MOD Single : A 45 SER OG : rot 44:sc= 0.0835 USER MOD Single : A 47 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -129:sc= -0.606 (180deg=-2.96!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 142:sc= -2.24 USER MOD Single : A 66 SER OG : rot 79:sc= 0.0867 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -113:sc= -0.418 (180deg=-1.91!) USER MOD Single : A 83 LYS NZ :NH3+ -112:sc= -0.0965 (180deg=-1.11!) USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= -0.479 (180deg=-0.738) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.55 F(o=-4.5!,f=-1.6) USER MOD Single : A 102 HIS : no HD1:sc= -1.32! C(o=-1.3!,f=-2.2!) USER MOD Single : A 105 THR OG1 : rot 81:sc= 0.0304 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 112 THR OG1 : rot -164:sc= -1.67! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -1.32 K(o=-1.3,f=-7.4!) USER MOD Single : A 118 SER OG : rot -120:sc= -1.39 USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 -6.018 5.807 -15.028 1.00 0.00 N ATOM 89 CA HIS A 10 -4.957 6.168 -15.963 1.00 0.00 C ATOM 90 C HIS A 10 -4.400 4.938 -16.648 1.00 0.00 C ATOM 91 O HIS A 10 -4.584 3.806 -16.183 1.00 0.00 O ATOM 92 CB HIS A 10 -3.891 6.888 -15.117 1.00 0.00 C ATOM 93 CG HIS A 10 -4.030 6.621 -13.646 1.00 0.00 C ATOM 94 ND1 HIS A 10 -3.179 5.836 -12.870 1.00 0.00 N ATOM 95 CD2 HIS A 10 -5.062 7.150 -12.875 1.00 0.00 C ATOM 96 CE1 HIS A 10 -3.779 5.950 -11.672 1.00 0.00 C ATOM 97 NE2 HIS A 10 -4.899 6.718 -11.585 1.00 0.00 N ATOM 0 HA HIS A 10 -5.319 6.812 -16.765 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.901 6.573 -15.446 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.959 7.961 -15.294 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -2.339 5.321 -13.135 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.855 7.791 -13.232 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.383 5.446 -10.803 1.00 0.00 H new ATOM 105 N GLU A 11 -3.740 5.119 -17.780 1.00 0.00 N ATOM 106 CA GLU A 11 -3.271 3.983 -18.576 1.00 0.00 C ATOM 107 C GLU A 11 -2.242 4.403 -19.600 1.00 0.00 C ATOM 108 O GLU A 11 -2.428 5.346 -20.376 1.00 0.00 O ATOM 109 CB GLU A 11 -4.500 3.321 -19.259 1.00 0.00 C ATOM 110 CG GLU A 11 -5.560 4.257 -19.927 1.00 0.00 C ATOM 111 CD GLU A 11 -7.039 3.882 -19.808 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.533 3.998 -18.544 1.00 0.00 O ATOM 113 OE2 GLU A 11 -7.712 3.513 -20.761 1.00 0.00 O ATOM 0 H GLU A 11 -3.515 6.034 -18.172 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.779 3.265 -17.920 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.130 2.637 -20.023 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.012 2.716 -18.511 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.435 5.254 -19.505 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.319 4.327 -20.988 1.00 0.00 H new ATOM 120 N GLY A 12 -1.136 3.677 -19.624 1.00 0.00 N ATOM 121 CA GLY A 12 -0.104 3.855 -20.640 1.00 0.00 C ATOM 122 C GLY A 12 0.775 2.630 -20.734 1.00 0.00 C ATOM 123 O GLY A 12 0.531 1.602 -20.092 1.00 0.00 O ATOM 0 H GLY A 12 -0.926 2.948 -18.942 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.569 4.049 -21.607 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.504 4.727 -20.398 1.00 0.00 H new ATOM 127 N TYR A 13 1.820 2.722 -21.534 1.00 0.00 N ATOM 128 CA TYR A 13 2.829 1.669 -21.609 1.00 0.00 C ATOM 129 C TYR A 13 4.126 2.129 -20.982 1.00 0.00 C ATOM 130 O TYR A 13 4.826 3.019 -21.479 1.00 0.00 O ATOM 131 CB TYR A 13 3.094 1.263 -23.091 1.00 0.00 C ATOM 132 CG TYR A 13 4.051 2.110 -23.935 1.00 0.00 C ATOM 133 CD1 TYR A 13 3.791 3.471 -24.128 1.00 0.00 C ATOM 134 CD2 TYR A 13 5.181 1.536 -24.526 1.00 0.00 C ATOM 135 CE1 TYR A 13 4.669 4.255 -24.871 1.00 0.00 C ATOM 136 CE2 TYR A 13 6.051 2.319 -25.281 1.00 0.00 C ATOM 137 CZ TYR A 13 5.784 3.672 -25.469 1.00 0.00 C ATOM 138 OH TYR A 13 6.620 4.429 -26.240 1.00 0.00 O ATOM 0 H TYR A 13 1.998 3.518 -22.147 1.00 0.00 H new ATOM 0 HA TYR A 13 2.449 0.806 -21.062 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.474 0.241 -23.089 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.132 1.244 -23.604 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.905 3.915 -23.699 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.380 0.482 -24.397 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.486 5.313 -24.984 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.933 1.876 -25.720 1.00 0.00 H new ATOM 0 HH TYR A 13 7.348 3.868 -26.580 1.00 0.00 H new ATOM 148 N VAL A 14 4.457 1.540 -19.843 1.00 0.00 N ATOM 149 CA VAL A 14 5.638 1.956 -19.086 1.00 0.00 C ATOM 150 C VAL A 14 6.140 0.852 -18.185 1.00 0.00 C ATOM 151 O VAL A 14 5.704 -0.300 -18.250 1.00 0.00 O ATOM 152 CB VAL A 14 5.326 3.238 -18.213 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.513 4.366 -18.903 1.00 0.00 C ATOM 154 CG2 VAL A 14 4.563 2.930 -16.901 1.00 0.00 C ATOM 0 H VAL A 14 3.930 0.776 -19.420 1.00 0.00 H new ATOM 0 HA VAL A 14 6.414 2.192 -19.814 1.00 0.00 H new ATOM 0 HB VAL A 14 6.342 3.588 -18.028 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.365 5.188 -18.203 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.058 4.726 -19.775 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.544 3.977 -19.216 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.386 3.858 -16.357 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.609 2.459 -17.137 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.157 2.256 -16.284 1.00 0.00 H new ATOM 164 N THR A 15 7.057 1.232 -17.301 1.00 0.00 N ATOM 165 CA THR A 15 7.540 0.307 -16.278 1.00 0.00 C ATOM 166 C THR A 15 6.719 0.405 -15.013 1.00 0.00 C ATOM 167 O THR A 15 6.911 1.283 -14.165 1.00 0.00 O ATOM 168 CB THR A 15 9.054 0.562 -15.973 1.00 0.00 C ATOM 169 OG1 THR A 15 9.718 1.060 -17.128 1.00 0.00 O ATOM 170 CG2 THR A 15 9.887 -0.670 -15.552 1.00 0.00 C ATOM 0 H THR A 15 7.477 2.161 -17.270 1.00 0.00 H new ATOM 0 HA THR A 15 7.430 -0.705 -16.668 1.00 0.00 H new ATOM 0 HB THR A 15 9.010 1.258 -15.135 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.663 1.216 -16.920 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.918 -0.367 -15.368 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.467 -1.099 -14.642 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.864 -1.414 -16.348 1.00 0.00 H new ATOM 178 N ARG A 16 5.794 -0.525 -14.859 1.00 0.00 N ATOM 179 CA ARG A 16 4.819 -0.502 -13.772 1.00 0.00 C ATOM 180 C ARG A 16 4.740 -1.850 -13.093 1.00 0.00 C ATOM 181 O ARG A 16 4.642 -2.898 -13.753 1.00 0.00 O ATOM 182 CB ARG A 16 3.438 -0.075 -14.341 1.00 0.00 C ATOM 183 CG ARG A 16 2.520 0.699 -13.359 1.00 0.00 C ATOM 184 CD ARG A 16 1.270 1.265 -14.047 1.00 0.00 C ATOM 185 NE ARG A 16 0.455 1.977 -13.030 1.00 0.00 N ATOM 186 CZ ARG A 16 -0.290 1.399 -12.098 1.00 0.00 C ATOM 187 NH1 ARG A 16 -0.398 0.113 -11.937 1.00 0.00 N ATOM 188 NH2 ARG A 16 -0.945 2.168 -11.302 1.00 0.00 N ATOM 0 H ARG A 16 5.693 -1.324 -15.485 1.00 0.00 H new ATOM 0 HA ARG A 16 5.131 0.220 -13.017 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.604 0.546 -15.221 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.911 -0.968 -14.676 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.216 0.035 -12.550 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.083 1.515 -12.907 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.555 1.946 -14.849 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.691 0.461 -14.502 1.00 0.00 H new ATOM 0 HE ARG A 16 0.470 2.997 -13.050 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.111 -0.522 -12.551 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.992 -0.260 -11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.879 3.181 -11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.531 1.765 -10.570 1.00 0.00 H new ATOM 202 N LYS A 17 4.803 -1.871 -11.775 1.00 0.00 N ATOM 203 CA LYS A 17 4.587 -3.100 -11.013 1.00 0.00 C ATOM 204 C LYS A 17 3.181 -3.139 -10.461 1.00 0.00 C ATOM 205 O LYS A 17 2.275 -2.454 -10.968 1.00 0.00 O ATOM 206 CB LYS A 17 5.644 -3.208 -9.877 1.00 0.00 C ATOM 207 CG LYS A 17 6.467 -4.522 -9.913 1.00 0.00 C ATOM 208 CD LYS A 17 5.779 -5.732 -9.271 1.00 0.00 C ATOM 209 CE LYS A 17 6.786 -6.881 -9.118 1.00 0.00 C ATOM 210 NZ LYS A 17 6.182 -7.949 -8.299 1.00 0.00 N ATOM 0 H LYS A 17 5.002 -1.051 -11.202 1.00 0.00 H new ATOM 0 HA LYS A 17 4.706 -3.958 -11.674 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.326 -2.361 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.138 -3.133 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.697 -4.762 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.418 -4.352 -9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.375 -5.458 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.938 -6.053 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.063 -7.270 -10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.700 -6.519 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.860 -8.730 -8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.938 -7.571 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.321 -8.299 -8.766 1.00 0.00 H new ATOM 224 N HIS A 18 2.953 -3.909 -9.414 1.00 0.00 N ATOM 225 CA HIS A 18 1.666 -3.905 -8.719 1.00 0.00 C ATOM 226 C HIS A 18 1.701 -4.794 -7.497 1.00 0.00 C ATOM 227 O HIS A 18 0.703 -5.423 -7.122 1.00 0.00 O ATOM 228 CB HIS A 18 0.626 -4.427 -9.725 1.00 0.00 C ATOM 229 CG HIS A 18 1.091 -5.652 -10.456 1.00 0.00 C ATOM 230 ND1 HIS A 18 1.796 -5.665 -11.658 1.00 0.00 N ATOM 231 CD2 HIS A 18 0.855 -6.937 -9.992 1.00 0.00 C ATOM 232 CE1 HIS A 18 1.931 -6.993 -11.830 1.00 0.00 C ATOM 233 NE2 HIS A 18 1.403 -7.819 -10.887 1.00 0.00 N ATOM 0 H HIS A 18 3.641 -4.550 -9.020 1.00 0.00 H new ATOM 0 HA HIS A 18 1.421 -2.901 -8.373 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.301 -4.653 -9.198 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.399 -3.642 -10.447 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.331 -7.198 -9.084 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.444 -7.392 -12.693 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.412 -8.838 -10.854 1.00 0.00 H new ATOM 445 N TRP A 32 9.560 -5.034 -11.894 1.00 0.00 N ATOM 446 CA TRP A 32 8.933 -3.996 -12.709 1.00 0.00 C ATOM 447 C TRP A 32 8.669 -4.500 -14.108 1.00 0.00 C ATOM 448 O TRP A 32 9.587 -4.817 -14.872 1.00 0.00 O ATOM 449 CB TRP A 32 9.869 -2.756 -12.769 1.00 0.00 C ATOM 450 CG TRP A 32 10.339 -2.224 -11.410 1.00 0.00 C ATOM 451 CD1 TRP A 32 11.345 -2.796 -10.604 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.954 -1.065 -10.770 1.00 0.00 C ATOM 453 NE1 TRP A 32 11.605 -2.009 -9.465 1.00 0.00 N ATOM 454 CE2 TRP A 32 10.729 -0.942 -9.590 1.00 0.00 C ATOM 455 CE3 TRP A 32 9.006 -0.068 -11.117 1.00 0.00 C ATOM 456 CZ2 TRP A 32 10.529 0.157 -8.726 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.807 0.993 -10.234 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.592 1.130 -9.080 1.00 0.00 C ATOM 0 HA TRP A 32 7.980 -3.722 -12.256 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.746 -3.012 -13.364 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.350 -1.955 -13.295 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.853 -3.722 -10.832 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.281 -2.184 -8.721 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.452 -0.129 -12.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.091 0.243 -7.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.036 1.720 -10.442 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.470 2.002 -8.455 1.00 0.00 H new ATOM 469 N ASP A 33 7.402 -4.569 -14.472 1.00 0.00 N ATOM 470 CA ASP A 33 6.996 -5.162 -15.744 1.00 0.00 C ATOM 471 C ASP A 33 6.699 -4.093 -16.768 1.00 0.00 C ATOM 472 O ASP A 33 5.749 -3.308 -16.631 1.00 0.00 O ATOM 473 CB ASP A 33 5.787 -6.111 -15.532 1.00 0.00 C ATOM 474 CG ASP A 33 6.095 -7.608 -15.394 1.00 0.00 C ATOM 475 OD1 ASP A 33 6.604 -7.935 -14.167 1.00 0.00 O ATOM 476 OD2 ASP A 33 5.882 -8.418 -16.285 1.00 0.00 O ATOM 0 H ASP A 33 6.629 -4.221 -13.905 1.00 0.00 H new ATOM 0 HA ASP A 33 7.822 -5.757 -16.134 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.257 -5.790 -14.635 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.103 -5.981 -16.371 1.00 0.00 H new ATOM 481 N LYS A 34 7.511 -4.023 -17.808 1.00 0.00 N ATOM 482 CA LYS A 34 7.237 -3.123 -18.928 1.00 0.00 C ATOM 483 C LYS A 34 6.053 -3.612 -19.728 1.00 0.00 C ATOM 484 O LYS A 34 6.202 -4.370 -20.700 1.00 0.00 O ATOM 485 CB LYS A 34 8.496 -2.994 -19.831 1.00 0.00 C ATOM 486 CG LYS A 34 8.224 -2.226 -21.149 1.00 0.00 C ATOM 487 CD LYS A 34 9.414 -1.444 -21.713 1.00 0.00 C ATOM 488 CE LYS A 34 8.991 0.010 -21.961 1.00 0.00 C ATOM 489 NZ LYS A 34 9.809 0.582 -23.045 1.00 0.00 N ATOM 0 H LYS A 34 8.364 -4.574 -17.906 1.00 0.00 H new ATOM 0 HA LYS A 34 6.992 -2.138 -18.531 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.283 -2.483 -19.276 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.869 -3.990 -20.069 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.890 -2.939 -21.903 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.401 -1.531 -20.981 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.250 -1.478 -21.015 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.756 -1.899 -22.642 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.935 0.052 -22.227 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.114 0.596 -21.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.522 1.567 -23.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.813 0.555 -22.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.670 0.028 -23.914 1.00 0.00 H new ATOM 503 N VAL A 35 4.857 -3.181 -19.364 1.00 0.00 N ATOM 504 CA VAL A 35 3.639 -3.710 -19.974 1.00 0.00 C ATOM 505 C VAL A 35 2.714 -2.600 -20.427 1.00 0.00 C ATOM 506 O VAL A 35 3.026 -1.406 -20.414 1.00 0.00 O ATOM 507 CB VAL A 35 2.898 -4.658 -18.950 1.00 0.00 C ATOM 508 CG1 VAL A 35 3.773 -5.272 -17.821 1.00 0.00 C ATOM 509 CG2 VAL A 35 1.698 -3.991 -18.227 1.00 0.00 C ATOM 0 H VAL A 35 4.699 -2.468 -18.652 1.00 0.00 H new ATOM 0 HA VAL A 35 3.923 -4.281 -20.858 1.00 0.00 H new ATOM 0 HB VAL A 35 2.576 -5.449 -19.628 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.154 -5.903 -17.183 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.568 -5.872 -18.263 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.211 -4.472 -17.224 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.243 -4.706 -17.542 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.047 -3.123 -17.667 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.960 -3.674 -18.964 1.00 0.00 H new ATOM 519 N TYR A 36 1.517 -3.007 -20.822 1.00 0.00 N ATOM 520 CA TYR A 36 0.422 -2.096 -21.139 1.00 0.00 C ATOM 521 C TYR A 36 -0.574 -2.065 -19.998 1.00 0.00 C ATOM 522 O TYR A 36 -1.633 -2.713 -19.987 1.00 0.00 O ATOM 523 CB TYR A 36 -0.313 -2.545 -22.435 1.00 0.00 C ATOM 524 CG TYR A 36 -0.903 -1.469 -23.354 1.00 0.00 C ATOM 525 CD1 TYR A 36 -1.416 -0.287 -22.811 1.00 0.00 C ATOM 526 CD2 TYR A 36 -0.943 -1.665 -24.740 1.00 0.00 C ATOM 527 CE1 TYR A 36 -1.946 0.694 -23.643 1.00 0.00 C ATOM 528 CE2 TYR A 36 -1.440 -0.665 -25.573 1.00 0.00 C ATOM 529 CZ TYR A 36 -1.956 0.505 -25.023 1.00 0.00 C ATOM 530 OH TYR A 36 -2.473 1.469 -25.842 1.00 0.00 O ATOM 0 H TYR A 36 1.273 -3.991 -20.934 1.00 0.00 H new ATOM 0 HA TYR A 36 0.844 -1.103 -21.292 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.387 -3.136 -23.025 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.124 -3.211 -22.142 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.401 -0.135 -21.742 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.588 -2.593 -25.164 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.350 1.602 -23.219 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.425 -0.797 -26.645 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.401 1.178 -26.775 1.00 0.00 H new ATOM 540 N MET A 37 -0.224 -1.306 -18.970 1.00 0.00 N ATOM 541 CA MET A 37 -0.999 -1.290 -17.733 1.00 0.00 C ATOM 542 C MET A 37 -2.116 -0.273 -17.799 1.00 0.00 C ATOM 543 O MET A 37 -1.914 0.935 -17.963 1.00 0.00 O ATOM 544 CB MET A 37 -0.064 -1.008 -16.523 1.00 0.00 C ATOM 545 CG MET A 37 -0.345 -1.862 -15.264 1.00 0.00 C ATOM 546 SD MET A 37 0.651 -3.359 -15.278 1.00 0.00 S ATOM 547 CE MET A 37 1.277 -3.289 -13.594 1.00 0.00 C ATOM 0 H MET A 37 0.591 -0.693 -18.966 1.00 0.00 H new ATOM 0 HA MET A 37 -1.457 -2.271 -17.602 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.967 -1.175 -16.834 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.149 0.045 -16.255 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.126 -1.281 -14.368 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.403 -2.123 -15.224 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.252 -3.774 -13.548 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.375 -2.248 -13.285 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.584 -3.802 -12.927 1.00 0.00 H new ATOM 557 N ALA A 38 -3.335 -0.764 -17.677 1.00 0.00 N ATOM 558 CA ALA A 38 -4.532 0.064 -17.563 1.00 0.00 C ATOM 559 C ALA A 38 -5.089 -0.052 -16.161 1.00 0.00 C ATOM 560 O ALA A 38 -5.998 -0.839 -15.874 1.00 0.00 O ATOM 561 CB ALA A 38 -5.532 -0.367 -18.651 1.00 0.00 C ATOM 0 H ALA A 38 -3.530 -1.765 -17.653 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.306 1.118 -17.725 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.433 0.243 -18.579 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.080 -0.233 -19.634 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.792 -1.416 -18.511 1.00 0.00 H new ATOM 567 N ALA A 39 -4.554 0.753 -15.264 1.00 0.00 N ATOM 568 CA ALA A 39 -4.846 0.633 -13.841 1.00 0.00 C ATOM 569 C ALA A 39 -4.778 1.980 -13.161 1.00 0.00 C ATOM 570 O ALA A 39 -4.496 3.051 -13.722 1.00 0.00 O ATOM 571 CB ALA A 39 -3.852 -0.391 -13.263 1.00 0.00 C ATOM 0 H ALA A 39 -3.907 1.507 -15.495 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.863 0.280 -13.669 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.035 -0.513 -12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.984 -1.349 -13.765 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.833 -0.037 -13.419 1.00 0.00 H new ATOM 577 N LYS A 40 -5.105 1.955 -11.875 1.00 0.00 N ATOM 578 CA LYS A 40 -5.032 3.141 -11.032 1.00 0.00 C ATOM 579 C LYS A 40 -5.250 2.780 -9.588 1.00 0.00 C ATOM 580 O LYS A 40 -5.196 1.607 -9.191 1.00 0.00 O ATOM 581 CB LYS A 40 -6.118 4.146 -11.521 1.00 0.00 C ATOM 582 CG LYS A 40 -7.409 3.417 -11.997 1.00 0.00 C ATOM 583 CD LYS A 40 -8.743 4.052 -11.586 1.00 0.00 C ATOM 584 CE LYS A 40 -9.871 3.416 -12.412 1.00 0.00 C ATOM 585 NZ LYS A 40 -11.169 3.962 -11.978 1.00 0.00 N ATOM 0 H LYS A 40 -5.426 1.117 -11.390 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.044 3.594 -11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.366 4.834 -10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.717 4.745 -12.338 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.383 3.352 -13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.385 2.396 -11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.922 3.898 -10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.715 5.129 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.717 3.617 -13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.861 2.333 -12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.939 3.425 -12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.250 3.885 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.236 4.962 -12.257 1.00 0.00 H new ATOM 599 N ALA A 41 -5.511 3.782 -8.774 1.00 0.00 N ATOM 600 CA ALA A 41 -5.956 3.541 -7.404 1.00 0.00 C ATOM 601 C ALA A 41 -7.319 2.859 -7.458 1.00 0.00 C ATOM 602 O ALA A 41 -7.572 1.776 -6.929 1.00 0.00 O ATOM 603 CB ALA A 41 -5.923 4.887 -6.662 1.00 0.00 C ATOM 0 H ALA A 41 -5.426 4.766 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.309 2.865 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.251 4.743 -5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.907 5.281 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.588 5.593 -7.159 1.00 0.00 H new ATOM 609 N GLY A 42 -8.214 3.516 -8.186 1.00 0.00 N ATOM 610 CA GLY A 42 -9.615 3.128 -8.270 1.00 0.00 C ATOM 611 C GLY A 42 -9.774 1.683 -8.675 1.00 0.00 C ATOM 612 O GLY A 42 -10.552 0.938 -8.035 1.00 0.00 O ATOM 0 H GLY A 42 -7.984 4.341 -8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.095 3.290 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.126 3.766 -8.991 1.00 0.00 H new ATOM 616 N ARG A 43 -9.125 1.228 -9.729 1.00 0.00 N ATOM 617 CA ARG A 43 -9.103 -0.197 -10.068 1.00 0.00 C ATOM 618 C ARG A 43 -7.956 -0.544 -10.991 1.00 0.00 C ATOM 619 O ARG A 43 -7.656 0.211 -11.937 1.00 0.00 O ATOM 620 CB ARG A 43 -10.448 -0.578 -10.751 1.00 0.00 C ATOM 621 CG ARG A 43 -11.695 -0.667 -9.829 1.00 0.00 C ATOM 622 CD ARG A 43 -13.013 -0.738 -10.609 1.00 0.00 C ATOM 623 NE ARG A 43 -14.014 0.110 -9.910 1.00 0.00 N ATOM 624 CZ ARG A 43 -13.983 1.433 -9.835 1.00 0.00 C ATOM 625 NH1 ARG A 43 -13.063 2.178 -10.372 1.00 0.00 N ATOM 626 NH2 ARG A 43 -14.930 2.013 -9.185 1.00 0.00 N ATOM 0 H ARG A 43 -8.601 1.821 -10.373 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.966 -0.760 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.653 0.154 -11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.319 -1.542 -11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.608 -1.548 -9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.715 0.201 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.868 -0.390 -11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.364 -1.768 -10.669 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.790 -0.366 -9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.299 1.748 -10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.105 3.192 -10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.667 1.456 -8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.944 3.030 -9.103 1.00 0.00 H new ATOM 640 N ILE A 44 -7.309 -1.681 -10.802 1.00 0.00 N ATOM 641 CA ILE A 44 -6.277 -2.139 -11.739 1.00 0.00 C ATOM 642 C ILE A 44 -6.859 -2.912 -12.904 1.00 0.00 C ATOM 643 O ILE A 44 -7.968 -3.453 -12.876 1.00 0.00 O ATOM 644 CB ILE A 44 -5.158 -2.986 -11.007 1.00 0.00 C ATOM 645 CG1 ILE A 44 -3.940 -2.155 -10.490 1.00 0.00 C ATOM 646 CG2 ILE A 44 -4.607 -4.149 -11.891 1.00 0.00 C ATOM 647 CD1 ILE A 44 -4.133 -0.628 -10.421 1.00 0.00 C ATOM 0 H ILE A 44 -7.473 -2.307 -10.014 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.811 -1.241 -12.145 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.686 -3.386 -10.141 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.681 -2.512 -9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.086 -2.363 -11.135 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.843 -4.696 -11.338 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.421 -4.826 -12.151 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.172 -3.739 -12.802 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.221 -0.162 -10.048 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.355 -0.244 -11.417 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.960 -0.396 -9.749 1.00 0.00 H new ATOM 659 N SER A 45 -6.100 -2.950 -13.987 1.00 0.00 N ATOM 660 CA SER A 45 -6.370 -3.771 -15.164 1.00 0.00 C ATOM 661 C SER A 45 -5.080 -4.015 -15.921 1.00 0.00 C ATOM 662 O SER A 45 -4.463 -3.057 -16.432 1.00 0.00 O ATOM 663 CB SER A 45 -7.467 -3.147 -16.063 1.00 0.00 C ATOM 664 OG SER A 45 -8.761 -3.720 -15.841 1.00 0.00 O ATOM 0 H SER A 45 -5.250 -2.393 -14.077 1.00 0.00 H new ATOM 0 HA SER A 45 -6.763 -4.734 -14.836 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.514 -2.074 -15.879 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.191 -3.279 -17.109 1.00 0.00 H new ATOM 0 HG SER A 45 -8.916 -3.816 -14.878 1.00 0.00 H new ATOM 670 N PHE A 46 -4.636 -5.249 -16.050 1.00 0.00 N ATOM 671 CA PHE A 46 -3.298 -5.540 -16.585 1.00 0.00 C ATOM 672 C PHE A 46 -3.271 -6.179 -17.958 1.00 0.00 C ATOM 673 O PHE A 46 -4.084 -7.070 -18.257 1.00 0.00 O ATOM 674 CB PHE A 46 -2.595 -6.531 -15.600 1.00 0.00 C ATOM 675 CG PHE A 46 -2.202 -5.962 -14.228 1.00 0.00 C ATOM 676 CD1 PHE A 46 -2.107 -4.576 -14.054 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.001 -6.808 -13.134 1.00 0.00 C ATOM 678 CE1 PHE A 46 -1.859 -4.043 -12.795 1.00 0.00 C ATOM 679 CE2 PHE A 46 -1.741 -6.272 -11.875 1.00 0.00 C ATOM 680 CZ PHE A 46 -1.711 -4.890 -11.698 1.00 0.00 C ATOM 0 H PHE A 46 -5.175 -6.076 -15.794 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.800 -4.575 -16.683 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.257 -7.382 -15.441 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.695 -6.913 -16.083 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.227 -3.918 -14.902 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.047 -7.879 -13.265 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.781 -2.974 -12.667 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.563 -6.928 -11.036 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.573 -4.475 -10.710 1.00 0.00 H new ATOM 690 N TYR A 47 -2.384 -5.743 -18.833 1.00 0.00 N ATOM 691 CA TYR A 47 -2.125 -6.437 -20.095 1.00 0.00 C ATOM 692 C TYR A 47 -0.777 -6.038 -20.655 1.00 0.00 C ATOM 693 O TYR A 47 -0.393 -4.864 -20.687 1.00 0.00 O ATOM 694 CB TYR A 47 -3.211 -6.123 -21.166 1.00 0.00 C ATOM 695 CG TYR A 47 -3.706 -4.676 -21.296 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.527 -4.110 -20.317 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.349 -3.921 -22.419 1.00 0.00 C ATOM 698 CE1 TYR A 47 -5.055 -2.833 -20.504 1.00 0.00 C ATOM 699 CE2 TYR A 47 -3.825 -2.622 -22.570 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.682 -2.081 -21.614 1.00 0.00 C ATOM 701 OH TYR A 47 -5.154 -0.809 -21.764 1.00 0.00 O ATOM 0 H TYR A 47 -1.822 -4.903 -18.697 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.144 -7.504 -19.873 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.820 -6.429 -22.136 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.076 -6.753 -20.958 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.752 -4.661 -19.416 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.702 -4.348 -23.171 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.754 -2.427 -19.787 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.531 -2.034 -23.427 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.797 -0.423 -22.591 1.00 0.00 H new ATOM 711 N LYS A 48 0.003 -7.018 -21.095 1.00 0.00 N ATOM 712 CA LYS A 48 1.266 -6.753 -21.784 1.00 0.00 C ATOM 713 C LYS A 48 1.007 -6.387 -23.230 1.00 0.00 C ATOM 714 O LYS A 48 1.478 -5.386 -23.780 1.00 0.00 O ATOM 715 CB LYS A 48 2.190 -7.996 -21.663 1.00 0.00 C ATOM 716 CG LYS A 48 3.664 -7.729 -22.053 1.00 0.00 C ATOM 717 CD LYS A 48 4.557 -7.245 -20.907 1.00 0.00 C ATOM 718 CE LYS A 48 5.762 -8.186 -20.764 1.00 0.00 C ATOM 719 NZ LYS A 48 6.424 -7.938 -19.470 1.00 0.00 N ATOM 0 H LYS A 48 -0.216 -8.008 -20.988 1.00 0.00 H new ATOM 0 HA LYS A 48 1.770 -5.906 -21.319 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.158 -8.361 -20.636 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.796 -8.791 -22.296 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.088 -8.646 -22.462 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.685 -6.985 -22.849 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.897 -6.228 -21.102 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.990 -7.219 -19.976 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.436 -9.224 -20.826 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.464 -8.023 -21.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.241 -8.574 -19.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.747 -6.950 -19.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.751 -8.114 -18.697 1.00 0.00 H new ATOM 733 N ASP A 49 0.225 -7.233 -23.879 1.00 0.00 N ATOM 734 CA ASP A 49 -0.287 -7.006 -25.226 1.00 0.00 C ATOM 735 C ASP A 49 -1.449 -7.939 -25.501 1.00 0.00 C ATOM 736 O ASP A 49 -1.308 -9.161 -25.404 1.00 0.00 O ATOM 737 CB ASP A 49 0.828 -7.155 -26.294 1.00 0.00 C ATOM 738 CG ASP A 49 1.809 -8.321 -26.121 1.00 0.00 C ATOM 739 OD1 ASP A 49 1.303 -9.513 -26.558 1.00 0.00 O ATOM 740 OD2 ASP A 49 2.927 -8.188 -25.642 1.00 0.00 O ATOM 0 H ASP A 49 -0.081 -8.119 -23.477 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.646 -5.979 -25.289 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.351 -7.256 -27.269 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.403 -6.229 -26.314 1.00 0.00 H new ATOM 745 N GLN A 50 -2.580 -7.370 -25.865 1.00 0.00 N ATOM 746 CA GLN A 50 -3.870 -8.046 -26.005 1.00 0.00 C ATOM 747 C GLN A 50 -3.769 -9.526 -26.323 1.00 0.00 C ATOM 748 O GLN A 50 -3.935 -9.982 -27.457 1.00 0.00 O ATOM 749 CB GLN A 50 -4.659 -7.313 -27.119 1.00 0.00 C ATOM 750 CG GLN A 50 -4.166 -7.497 -28.591 1.00 0.00 C ATOM 751 CD GLN A 50 -3.091 -6.557 -29.149 1.00 0.00 C ATOM 752 OE1 GLN A 50 -2.080 -6.996 -29.674 1.00 0.00 O ATOM 753 NE2 GLN A 50 -3.259 -5.260 -29.086 1.00 0.00 N ATOM 0 H GLN A 50 -2.636 -6.375 -26.084 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.378 -7.999 -25.042 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.697 -7.641 -27.068 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.650 -6.247 -26.892 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.790 -8.516 -28.685 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.038 -7.418 -29.240 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.097 -4.875 -28.651 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.551 -4.635 -29.472 1.00 0.00 H new ATOM 762 N LYS A 51 -3.533 -10.320 -25.286 1.00 0.00 N ATOM 763 CA LYS A 51 -3.247 -11.745 -25.425 1.00 0.00 C ATOM 764 C LYS A 51 -4.382 -12.562 -24.855 1.00 0.00 C ATOM 765 O LYS A 51 -5.036 -13.349 -25.580 1.00 0.00 O ATOM 766 CB LYS A 51 -1.881 -12.066 -24.740 1.00 0.00 C ATOM 767 CG LYS A 51 -1.791 -11.606 -23.270 1.00 0.00 C ATOM 768 CD LYS A 51 -0.451 -11.108 -22.732 1.00 0.00 C ATOM 769 CE LYS A 51 0.704 -11.452 -23.675 1.00 0.00 C ATOM 770 NZ LYS A 51 0.785 -12.916 -23.843 1.00 0.00 N ATOM 0 H LYS A 51 -3.534 -9.993 -24.320 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.163 -12.010 -26.479 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.708 -13.141 -24.784 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.081 -11.591 -25.308 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.520 -10.807 -23.130 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.108 -12.440 -22.644 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.495 -10.028 -22.590 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.265 -11.551 -21.753 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.553 -10.972 -24.642 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.642 -11.069 -23.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.760 -13.232 -23.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.143 -13.379 -23.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.510 -13.170 -24.813 1.00 0.00 H new ATOM 784 N GLY A 52 -4.651 -12.445 -23.572 1.00 0.00 N ATOM 785 CA GLY A 52 -5.874 -13.061 -22.996 1.00 0.00 C ATOM 786 C GLY A 52 -7.046 -12.304 -23.636 1.00 0.00 C ATOM 787 O GLY A 52 -8.072 -12.864 -24.024 1.00 0.00 O ATOM 0 H GLY A 52 -4.066 -11.944 -22.903 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.923 -14.126 -23.223 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.889 -12.965 -21.910 1.00 0.00 H new ATOM 791 N TYR A 53 -6.822 -11.000 -23.758 1.00 0.00 N ATOM 792 CA TYR A 53 -7.743 -10.137 -24.491 1.00 0.00 C ATOM 793 C TYR A 53 -7.947 -10.672 -25.894 1.00 0.00 C ATOM 794 O TYR A 53 -9.081 -10.676 -26.407 1.00 0.00 O ATOM 795 CB TYR A 53 -7.201 -8.681 -24.582 1.00 0.00 C ATOM 796 CG TYR A 53 -7.461 -7.755 -23.385 1.00 0.00 C ATOM 797 CD1 TYR A 53 -8.650 -7.024 -23.294 1.00 0.00 C ATOM 798 CD2 TYR A 53 -6.506 -7.648 -22.370 1.00 0.00 C ATOM 799 CE1 TYR A 53 -8.891 -6.220 -22.181 1.00 0.00 C ATOM 800 CE2 TYR A 53 -6.777 -6.893 -21.232 1.00 0.00 C ATOM 801 CZ TYR A 53 -7.976 -6.190 -21.133 1.00 0.00 C ATOM 802 OH TYR A 53 -8.255 -5.471 -20.006 1.00 0.00 O ATOM 0 H TYR A 53 -6.015 -10.519 -23.361 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.690 -10.127 -23.951 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.124 -8.732 -24.741 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.633 -8.216 -25.468 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.382 -7.082 -24.086 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.556 -8.152 -22.469 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.788 -5.620 -22.132 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.059 -6.852 -20.427 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.513 -5.556 -19.371 1.00 0.00 H new ATOM 812 N LYS A 54 -6.889 -11.101 -26.555 1.00 0.00 N ATOM 813 CA LYS A 54 -6.990 -11.801 -27.834 1.00 0.00 C ATOM 814 C LYS A 54 -8.116 -12.810 -27.810 1.00 0.00 C ATOM 815 O LYS A 54 -9.005 -12.825 -28.669 1.00 0.00 O ATOM 816 CB LYS A 54 -5.643 -12.501 -28.159 1.00 0.00 C ATOM 817 CG LYS A 54 -5.278 -12.520 -29.663 1.00 0.00 C ATOM 818 CD LYS A 54 -4.386 -13.693 -30.090 1.00 0.00 C ATOM 819 CE LYS A 54 -3.798 -13.413 -31.478 1.00 0.00 C ATOM 820 NZ LYS A 54 -2.330 -13.324 -31.380 1.00 0.00 N ATOM 0 H LYS A 54 -5.932 -10.977 -26.225 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.210 -11.071 -28.613 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.846 -12.000 -27.611 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.684 -13.527 -27.795 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.198 -12.550 -30.246 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.773 -11.587 -29.912 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.584 -13.835 -29.366 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.966 -14.616 -30.109 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.080 -14.206 -32.171 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.204 -12.483 -31.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.930 -13.134 -32.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.071 -12.553 -30.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.951 -14.222 -31.018 1.00 0.00 H new ATOM 834 N SER A 55 -8.098 -13.662 -26.799 1.00 0.00 N ATOM 835 CA SER A 55 -9.092 -14.723 -26.662 1.00 0.00 C ATOM 836 C SER A 55 -10.355 -14.203 -26.017 1.00 0.00 C ATOM 837 O SER A 55 -11.408 -14.080 -26.658 1.00 0.00 O ATOM 838 CB SER A 55 -8.507 -15.928 -25.884 1.00 0.00 C ATOM 839 OG SER A 55 -9.062 -17.182 -26.298 1.00 0.00 O ATOM 0 H SER A 55 -7.402 -13.642 -26.054 1.00 0.00 H new ATOM 0 HA SER A 55 -9.357 -15.073 -27.660 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.426 -15.952 -26.021 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.690 -15.789 -24.818 1.00 0.00 H new ATOM 0 HG SER A 55 -8.657 -17.907 -25.777 1.00 0.00 H new ATOM 845 N ASN A 56 -10.283 -13.895 -24.735 1.00 0.00 N ATOM 846 CA ASN A 56 -11.426 -13.346 -24.008 1.00 0.00 C ATOM 847 C ASN A 56 -11.043 -12.085 -23.272 1.00 0.00 C ATOM 848 O ASN A 56 -10.081 -12.063 -22.500 1.00 0.00 O ATOM 849 CB ASN A 56 -11.975 -14.409 -23.012 1.00 0.00 C ATOM 850 CG ASN A 56 -12.697 -15.620 -23.613 1.00 0.00 C ATOM 851 OD1 ASN A 56 -13.915 -15.696 -23.660 1.00 0.00 O ATOM 852 ND2 ASN A 56 -11.983 -16.616 -24.065 1.00 0.00 N ATOM 0 H ASN A 56 -9.443 -14.014 -24.169 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.205 -13.092 -24.727 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.141 -14.775 -22.414 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.662 -13.910 -22.329 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.444 -17.441 -24.450 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.965 -16.569 -24.033 1.00 0.00 H new ATOM 859 N PRO A 57 -11.788 -11.016 -23.481 1.00 0.00 N ATOM 860 CA PRO A 57 -11.523 -9.613 -22.927 1.00 0.00 C ATOM 861 C PRO A 57 -11.556 -9.490 -21.420 1.00 0.00 C ATOM 862 O PRO A 57 -11.337 -8.386 -20.875 1.00 0.00 O ATOM 863 CB PRO A 57 -12.607 -8.711 -23.499 1.00 0.00 C ATOM 864 CG PRO A 57 -13.756 -9.695 -23.772 1.00 0.00 C ATOM 865 CD PRO A 57 -13.031 -10.948 -24.284 1.00 0.00 C ATOM 0 HA PRO A 57 -10.508 -9.342 -23.217 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.899 -7.932 -22.794 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.278 -8.210 -24.409 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.331 -9.903 -22.870 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.454 -9.303 -24.512 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.640 -11.842 -24.148 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.811 -10.871 -25.349 1.00 0.00 H new ATOM 873 N GLU A 58 -11.806 -10.559 -20.688 1.00 0.00 N ATOM 874 CA GLU A 58 -11.709 -10.553 -19.232 1.00 0.00 C ATOM 875 C GLU A 58 -10.388 -11.127 -18.777 1.00 0.00 C ATOM 876 O GLU A 58 -9.800 -10.696 -17.777 1.00 0.00 O ATOM 877 CB GLU A 58 -12.905 -11.360 -18.649 1.00 0.00 C ATOM 878 CG GLU A 58 -13.382 -12.623 -19.441 1.00 0.00 C ATOM 879 CD GLU A 58 -14.485 -13.490 -18.825 1.00 0.00 C ATOM 880 OE1 GLU A 58 -14.149 -14.025 -17.619 1.00 0.00 O ATOM 881 OE2 GLU A 58 -15.565 -13.680 -19.368 1.00 0.00 O ATOM 0 H GLU A 58 -12.082 -11.459 -21.081 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.754 -9.527 -18.866 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.637 -11.677 -17.641 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.753 -10.682 -18.555 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.727 -12.291 -20.420 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.513 -13.259 -19.608 1.00 0.00 H new ATOM 888 N LEU A 59 -9.890 -12.108 -19.509 1.00 0.00 N ATOM 889 CA LEU A 59 -8.562 -12.665 -19.267 1.00 0.00 C ATOM 890 C LEU A 59 -7.512 -11.932 -20.067 1.00 0.00 C ATOM 891 O LEU A 59 -7.822 -11.240 -21.052 1.00 0.00 O ATOM 892 CB LEU A 59 -8.544 -14.186 -19.589 1.00 0.00 C ATOM 893 CG LEU A 59 -9.300 -15.148 -18.632 1.00 0.00 C ATOM 894 CD1 LEU A 59 -8.463 -15.402 -17.370 1.00 0.00 C ATOM 895 CD2 LEU A 59 -10.689 -14.622 -18.235 1.00 0.00 C ATOM 0 H LEU A 59 -10.389 -12.542 -20.286 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.325 -12.535 -18.211 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.956 -14.319 -20.589 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.503 -14.506 -19.628 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.450 -16.081 -19.176 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.002 -16.078 -16.706 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.510 -15.852 -17.650 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.282 -14.457 -16.857 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.171 -15.335 -17.566 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.584 -13.663 -17.728 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.299 -14.495 -19.129 1.00 0.00 H new ATOM 907 N THR A 60 -6.255 -12.054 -19.675 1.00 0.00 N ATOM 908 CA THR A 60 -5.186 -11.276 -20.303 1.00 0.00 C ATOM 909 C THR A 60 -3.821 -11.895 -20.092 1.00 0.00 C ATOM 910 O THR A 60 -3.675 -13.077 -19.766 1.00 0.00 O ATOM 911 CB THR A 60 -5.199 -9.803 -19.763 1.00 0.00 C ATOM 912 OG1 THR A 60 -4.436 -9.653 -18.578 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.592 -9.244 -19.380 1.00 0.00 C ATOM 0 H THR A 60 -5.945 -12.678 -18.930 1.00 0.00 H new ATOM 0 HA THR A 60 -5.378 -11.274 -21.376 1.00 0.00 H new ATOM 0 HB THR A 60 -4.792 -9.259 -20.615 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.969 -8.792 -18.597 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.487 -8.221 -19.019 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.242 -9.255 -20.255 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.029 -9.862 -18.596 1.00 0.00 H new ATOM 921 N PHE A 61 -2.804 -11.073 -20.315 1.00 0.00 N ATOM 922 CA PHE A 61 -1.428 -11.442 -20.004 1.00 0.00 C ATOM 923 C PHE A 61 -1.355 -12.143 -18.669 1.00 0.00 C ATOM 924 O PHE A 61 -1.852 -11.543 -17.670 1.00 0.00 O ATOM 925 CB PHE A 61 -0.539 -10.162 -19.912 1.00 0.00 C ATOM 926 CG PHE A 61 0.455 -10.106 -18.731 1.00 0.00 C ATOM 927 CD1 PHE A 61 0.083 -9.525 -17.516 1.00 0.00 C ATOM 928 CD2 PHE A 61 1.759 -10.583 -18.899 1.00 0.00 C ATOM 929 CE1 PHE A 61 1.020 -9.386 -16.494 1.00 0.00 C ATOM 930 CE2 PHE A 61 2.691 -10.450 -17.877 1.00 0.00 C ATOM 931 CZ PHE A 61 2.329 -9.826 -16.684 1.00 0.00 C ATOM 0 H PHE A 61 -2.907 -10.140 -20.713 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.075 -12.102 -20.796 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.026 -10.070 -20.840 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.194 -9.293 -19.850 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.931 -9.184 -17.369 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.043 -11.057 -19.827 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.732 -8.937 -15.555 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.694 -10.829 -18.007 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.064 -9.683 -15.906 1.00 0.00 H new ATOM 941 N ARG A 62 -0.805 -13.342 -18.582 1.00 0.00 N ATOM 942 CA ARG A 62 -0.606 -13.937 -17.247 1.00 0.00 C ATOM 943 C ARG A 62 -0.052 -12.875 -16.330 1.00 0.00 C ATOM 944 O ARG A 62 1.004 -12.274 -16.561 1.00 0.00 O ATOM 945 CB ARG A 62 0.314 -15.183 -17.322 1.00 0.00 C ATOM 946 CG ARG A 62 0.126 -16.204 -16.169 1.00 0.00 C ATOM 947 CD ARG A 62 1.367 -17.077 -15.946 1.00 0.00 C ATOM 948 NE ARG A 62 2.314 -16.332 -15.078 1.00 0.00 N ATOM 949 CZ ARG A 62 2.152 -16.099 -13.783 1.00 0.00 C ATOM 950 NH1 ARG A 62 1.109 -16.464 -13.096 1.00 0.00 N ATOM 951 NH2 ARG A 62 3.091 -15.468 -13.170 1.00 0.00 N ATOM 0 H ARG A 62 -0.497 -13.910 -19.371 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.558 -14.287 -16.849 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.137 -15.691 -18.270 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.352 -14.850 -17.328 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.107 -15.668 -15.249 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.728 -16.843 -16.391 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.087 -18.021 -15.479 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.837 -17.319 -16.899 1.00 0.00 H new ATOM 0 HE ARG A 62 3.161 -15.969 -15.515 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.347 -16.965 -13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.054 -16.250 -12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.921 -15.167 -13.681 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.005 -15.269 -12.173 1.00 0.00 H new ATOM 965 N GLY A 63 -0.779 -12.608 -15.268 1.00 0.00 N ATOM 966 CA GLY A 63 -0.611 -11.425 -14.424 1.00 0.00 C ATOM 967 C GLY A 63 -1.713 -10.437 -14.940 1.00 0.00 C ATOM 968 O GLY A 63 -1.544 -9.228 -15.090 1.00 0.00 O ATOM 0 H GLY A 63 -1.529 -13.222 -14.950 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.750 -11.663 -13.369 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.387 -10.999 -14.526 1.00 0.00 H new ATOM 972 N GLU A 64 -2.839 -11.051 -15.221 1.00 0.00 N ATOM 973 CA GLU A 64 -3.949 -10.443 -15.944 1.00 0.00 C ATOM 974 C GLU A 64 -4.945 -9.668 -15.106 1.00 0.00 C ATOM 975 O GLU A 64 -5.616 -8.760 -15.622 1.00 0.00 O ATOM 976 CB GLU A 64 -4.681 -11.621 -16.674 1.00 0.00 C ATOM 977 CG GLU A 64 -5.244 -12.763 -15.771 1.00 0.00 C ATOM 978 CD GLU A 64 -5.036 -14.215 -16.214 1.00 0.00 C ATOM 979 OE1 GLU A 64 -5.433 -14.460 -17.494 1.00 0.00 O ATOM 980 OE2 GLU A 64 -4.560 -15.073 -15.483 1.00 0.00 O ATOM 0 H GLU A 64 -3.020 -12.017 -14.948 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.533 -9.690 -16.613 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.507 -11.204 -17.250 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.986 -12.063 -17.388 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.801 -12.652 -14.781 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.316 -12.600 -15.661 1.00 0.00 H new ATOM 987 N PRO A 65 -5.100 -9.972 -13.835 1.00 0.00 N ATOM 988 CA PRO A 65 -6.104 -9.439 -12.815 1.00 0.00 C ATOM 989 C PRO A 65 -6.463 -7.959 -12.859 1.00 0.00 C ATOM 990 O PRO A 65 -5.954 -7.116 -13.604 1.00 0.00 O ATOM 991 CB PRO A 65 -5.469 -9.692 -11.453 1.00 0.00 C ATOM 992 CG PRO A 65 -4.773 -11.042 -11.676 1.00 0.00 C ATOM 993 CD PRO A 65 -4.261 -10.981 -13.110 1.00 0.00 C ATOM 0 HA PRO A 65 -7.042 -9.949 -13.035 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.763 -8.908 -11.179 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.213 -9.742 -10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.956 -11.188 -10.970 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.466 -11.872 -11.538 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.210 -10.695 -13.132 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.335 -11.958 -13.587 1.00 0.00 H new ATOM 1001 N SER A 66 -7.395 -7.613 -11.969 1.00 0.00 N ATOM 1002 CA SER A 66 -7.815 -6.240 -11.711 1.00 0.00 C ATOM 1003 C SER A 66 -7.915 -5.981 -10.224 1.00 0.00 C ATOM 1004 O SER A 66 -8.043 -6.910 -9.413 1.00 0.00 O ATOM 1005 CB SER A 66 -9.153 -5.932 -12.428 1.00 0.00 C ATOM 1006 OG SER A 66 -10.025 -5.105 -11.648 1.00 0.00 O ATOM 0 H SER A 66 -7.888 -8.298 -11.396 1.00 0.00 H new ATOM 0 HA SER A 66 -7.059 -5.567 -12.115 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.946 -5.439 -13.378 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.660 -6.869 -12.660 1.00 0.00 H new ATOM 0 HG SER A 66 -9.738 -4.170 -11.718 1.00 0.00 H new ATOM 1012 N TYR A 67 -7.840 -4.725 -9.827 1.00 0.00 N ATOM 1013 CA TYR A 67 -8.070 -4.307 -8.443 1.00 0.00 C ATOM 1014 C TYR A 67 -9.205 -3.308 -8.378 1.00 0.00 C ATOM 1015 O TYR A 67 -9.739 -2.857 -9.397 1.00 0.00 O ATOM 1016 CB TYR A 67 -6.778 -3.682 -7.833 1.00 0.00 C ATOM 1017 CG TYR A 67 -5.638 -4.667 -7.541 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -4.992 -5.346 -8.578 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -5.250 -4.903 -6.217 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -3.918 -6.188 -8.300 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.184 -5.755 -5.941 1.00 0.00 C ATOM 1022 CZ TYR A 67 -3.508 -6.383 -6.984 1.00 0.00 C ATOM 1023 OH TYR A 67 -2.441 -7.192 -6.716 1.00 0.00 O ATOM 0 H TYR A 67 -7.616 -3.954 -10.456 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.338 -5.189 -7.861 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.408 -2.918 -8.517 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.044 -3.177 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.326 -5.217 -9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.779 -4.423 -5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.403 -6.690 -9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.882 -5.929 -4.919 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.286 -7.219 -5.749 1.00 0.00 H new ATOM 1033 N ASP A 68 -9.616 -2.973 -7.169 1.00 0.00 N ATOM 1034 CA ASP A 68 -10.642 -1.955 -6.940 1.00 0.00 C ATOM 1035 C ASP A 68 -10.299 -1.135 -5.721 1.00 0.00 C ATOM 1036 O ASP A 68 -10.890 -1.321 -4.639 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.043 -2.610 -6.826 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.245 -1.659 -6.732 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -12.944 -0.382 -7.117 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.355 -2.024 -6.369 1.00 0.00 O ATOM 0 H ASP A 68 -9.253 -3.395 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.671 -1.278 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.188 -3.256 -7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.048 -3.252 -5.945 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.369 -0.208 -5.840 1.00 0.00 N ATOM 1046 CA LEU A 69 -8.819 0.501 -4.675 1.00 0.00 C ATOM 1047 C LEU A 69 -9.050 1.998 -4.603 1.00 0.00 C ATOM 1048 O LEU A 69 -8.080 2.808 -4.611 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.284 0.198 -4.627 1.00 0.00 C ATOM 1050 CG LEU A 69 -6.849 -1.219 -4.173 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -5.906 -1.901 -5.178 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -6.186 -1.151 -2.789 1.00 0.00 C ATOM 0 H LEU A 69 -8.969 0.081 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.368 0.125 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.875 0.373 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.819 0.923 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.752 -1.827 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.634 -2.890 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.409 -1.999 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.006 -1.299 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.885 -2.152 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.308 -0.506 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.894 -0.746 -2.066 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.279 2.462 -4.492 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.548 3.860 -4.144 1.00 0.00 C ATOM 1066 C GLN A 70 -10.375 4.084 -2.650 1.00 0.00 C ATOM 1067 O GLN A 70 -10.669 5.123 -2.054 1.00 0.00 O ATOM 1068 CB GLN A 70 -11.972 4.226 -4.613 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.524 3.277 -5.748 1.00 0.00 C ATOM 1070 CD GLN A 70 -13.752 3.667 -6.568 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -14.836 3.130 -6.381 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -13.670 4.609 -7.474 1.00 0.00 N ATOM 0 H GLN A 70 -11.115 1.896 -4.637 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.833 4.511 -4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.648 4.189 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.973 5.254 -4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.708 3.113 -6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.742 2.316 -5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.778 5.072 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.498 4.880 -8.005 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.892 3.040 -1.983 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.471 3.008 -0.590 1.00 0.00 C ATOM 1083 C ASN A 71 -8.011 3.356 -0.427 1.00 0.00 C ATOM 1084 O ASN A 71 -7.576 3.937 0.572 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.735 1.574 -0.034 1.00 0.00 C ATOM 1086 CG ASN A 71 -11.135 1.299 0.523 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -11.350 0.994 1.685 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -12.149 1.373 -0.306 1.00 0.00 N ATOM 0 H ASN A 71 -9.777 2.133 -2.435 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.041 3.755 -0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.540 0.858 -0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.010 1.376 0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.094 1.177 0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.993 1.626 -1.282 1.00 0.00 H new ATOM 1095 N ALA A 72 -7.217 2.970 -1.410 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.761 3.070 -1.371 1.00 0.00 C ATOM 1097 C ALA A 72 -5.278 4.438 -0.933 1.00 0.00 C ATOM 1098 O ALA A 72 -5.994 5.442 -0.908 1.00 0.00 O ATOM 1099 CB ALA A 72 -5.232 2.699 -2.771 1.00 0.00 C ATOM 0 H ALA A 72 -7.570 2.569 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.372 2.381 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.144 2.763 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.537 1.682 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.641 3.389 -3.509 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.996 4.489 -0.592 1.00 0.00 N ATOM 1106 CA ALA A 73 -3.293 5.730 -0.289 1.00 0.00 C ATOM 1107 C ALA A 73 -2.380 6.123 -1.427 1.00 0.00 C ATOM 1108 O ALA A 73 -2.396 5.510 -2.510 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.541 5.528 1.038 1.00 0.00 C ATOM 0 H ALA A 73 -3.408 3.659 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.993 6.558 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.003 6.441 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.254 5.293 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.832 4.707 0.933 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.556 7.135 -1.226 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.645 7.600 -2.274 1.00 0.00 C ATOM 1117 C ILE A 74 0.613 8.215 -1.699 1.00 0.00 C ATOM 1118 O ILE A 74 0.675 8.703 -0.567 1.00 0.00 O ATOM 1119 CB ILE A 74 -1.373 8.591 -3.269 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -1.859 7.935 -4.600 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.506 9.837 -3.633 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -2.160 8.904 -5.763 1.00 0.00 C ATOM 0 H ILE A 74 -1.493 7.655 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.337 6.724 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.250 8.900 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.099 7.227 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.761 7.360 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.060 10.478 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.270 10.394 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.418 9.510 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.489 8.337 -6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.946 9.598 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.258 9.463 -6.014 1.00 0.00 H new ATOM 1134 N GLU A 75 1.659 8.203 -2.515 1.00 0.00 N ATOM 1135 CA GLU A 75 2.919 8.870 -2.206 1.00 0.00 C ATOM 1136 C GLU A 75 3.791 8.965 -3.438 1.00 0.00 C ATOM 1137 O GLU A 75 3.320 8.786 -4.573 1.00 0.00 O ATOM 1138 CB GLU A 75 3.626 8.085 -1.066 1.00 0.00 C ATOM 1139 CG GLU A 75 4.551 6.888 -1.463 1.00 0.00 C ATOM 1140 CD GLU A 75 5.340 6.184 -0.355 1.00 0.00 C ATOM 1141 OE1 GLU A 75 4.605 5.927 0.762 1.00 0.00 O ATOM 1142 OE2 GLU A 75 6.521 5.885 -0.468 1.00 0.00 O ATOM 0 H GLU A 75 1.658 7.727 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 75 2.729 9.890 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.224 8.794 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.856 7.704 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.933 6.139 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.266 7.250 -2.202 1.00 0.00 H new ATOM 1149 N ILE A 76 5.069 9.239 -3.259 1.00 0.00 N ATOM 1150 CA ILE A 76 6.002 9.333 -4.380 1.00 0.00 C ATOM 1151 C ILE A 76 7.289 8.594 -4.090 1.00 0.00 C ATOM 1152 O ILE A 76 8.086 9.002 -3.235 1.00 0.00 O ATOM 1153 CB ILE A 76 6.282 10.840 -4.777 1.00 0.00 C ATOM 1154 CG1 ILE A 76 5.006 11.724 -4.952 1.00 0.00 C ATOM 1155 CG2 ILE A 76 7.142 10.972 -6.072 1.00 0.00 C ATOM 1156 CD1 ILE A 76 5.221 13.092 -5.633 1.00 0.00 C ATOM 0 H ILE A 76 5.492 9.402 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 76 5.531 8.851 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 76 6.834 11.216 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.275 11.162 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.568 11.894 -3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.302 12.027 -6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.104 10.483 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.621 10.499 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.269 13.618 -5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.922 13.685 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.624 12.941 -6.634 1.00 0.00 H new ATOM 1168 N ALA A 77 7.520 7.513 -4.809 1.00 0.00 N ATOM 1169 CA ALA A 77 8.785 6.784 -4.752 1.00 0.00 C ATOM 1170 C ALA A 77 9.185 6.478 -3.325 1.00 0.00 C ATOM 1171 O ALA A 77 8.341 6.374 -2.425 1.00 0.00 O ATOM 1172 CB ALA A 77 9.830 7.627 -5.505 1.00 0.00 C ATOM 0 H ALA A 77 6.839 7.110 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 77 8.696 5.809 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.792 7.116 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.512 7.762 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.927 8.601 -5.025 1.00 0.00 H new ATOM 1236 N LYS A 82 17.105 6.127 -10.124 1.00 0.00 N ATOM 1237 CA LYS A 82 16.504 6.389 -11.430 1.00 0.00 C ATOM 1238 C LYS A 82 15.012 6.140 -11.392 1.00 0.00 C ATOM 1239 O LYS A 82 14.199 6.871 -11.966 1.00 0.00 O ATOM 1240 CB LYS A 82 17.199 5.505 -12.503 1.00 0.00 C ATOM 1241 CG LYS A 82 17.949 4.286 -11.908 1.00 0.00 C ATOM 1242 CD LYS A 82 18.272 3.173 -12.910 1.00 0.00 C ATOM 1243 CE LYS A 82 18.590 3.798 -14.276 1.00 0.00 C ATOM 1244 NZ LYS A 82 17.377 3.791 -15.112 1.00 0.00 N ATOM 0 HA LYS A 82 16.651 7.437 -11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.450 5.151 -13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.905 6.117 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.880 4.634 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.347 3.866 -11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.121 2.587 -12.559 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.427 2.490 -12.997 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.950 4.819 -14.146 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.387 3.239 -14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.511 3.142 -15.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.565 3.476 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.197 4.751 -15.470 1.00 0.00 H new ATOM 1258 N LYS A 83 14.632 5.071 -10.716 1.00 0.00 N ATOM 1259 CA LYS A 83 13.236 4.746 -10.438 1.00 0.00 C ATOM 1260 C LYS A 83 12.630 5.647 -9.384 1.00 0.00 C ATOM 1261 O LYS A 83 11.461 5.461 -8.996 1.00 0.00 O ATOM 1262 CB LYS A 83 13.149 3.264 -9.969 1.00 0.00 C ATOM 1263 CG LYS A 83 13.582 2.240 -11.047 1.00 0.00 C ATOM 1264 CD LYS A 83 12.921 0.863 -10.930 1.00 0.00 C ATOM 1265 CE LYS A 83 12.936 0.172 -12.300 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.750 0.582 -13.073 1.00 0.00 N ATOM 0 H LYS A 83 15.291 4.391 -10.337 1.00 0.00 H new ATOM 0 HA LYS A 83 12.668 4.898 -11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.775 3.135 -9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.124 3.048 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.357 2.653 -12.031 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.663 2.114 -10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.451 0.254 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.896 0.969 -10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.845 0.435 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.943 -0.911 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.112 -0.231 -13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.253 1.344 -12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.047 0.924 -14.009 1.00 0.00 H new ATOM 1280 N LYS A 84 13.375 6.609 -8.865 1.00 0.00 N ATOM 1281 CA LYS A 84 12.806 7.591 -7.926 1.00 0.00 C ATOM 1282 C LYS A 84 11.949 8.690 -8.547 1.00 0.00 C ATOM 1283 O LYS A 84 11.598 9.678 -7.898 1.00 0.00 O ATOM 1284 CB LYS A 84 13.975 8.251 -7.142 1.00 0.00 C ATOM 1285 CG LYS A 84 15.287 8.421 -7.952 1.00 0.00 C ATOM 1286 CD LYS A 84 15.490 9.825 -8.533 1.00 0.00 C ATOM 1287 CE LYS A 84 16.406 10.629 -7.602 1.00 0.00 C ATOM 1288 NZ LYS A 84 15.906 10.528 -6.219 1.00 0.00 N ATOM 0 H LYS A 84 14.366 6.740 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 84 12.126 7.027 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.651 9.231 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.186 7.650 -6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 84 16.132 8.181 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.293 7.698 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.930 9.760 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.530 10.329 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.426 10.250 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.436 11.673 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.382 11.237 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.880 10.699 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.103 9.577 -5.847 1.00 0.00 H new ATOM 1302 N HIS A 85 11.633 8.522 -9.813 1.00 0.00 N ATOM 1303 CA HIS A 85 10.690 9.379 -10.521 1.00 0.00 C ATOM 1304 C HIS A 85 9.370 8.660 -10.692 1.00 0.00 C ATOM 1305 O HIS A 85 8.646 8.808 -11.683 1.00 0.00 O ATOM 1306 CB HIS A 85 11.314 9.693 -11.891 1.00 0.00 C ATOM 1307 CG HIS A 85 12.283 10.836 -11.845 1.00 0.00 C ATOM 1308 ND1 HIS A 85 11.958 12.186 -11.956 1.00 0.00 N ATOM 1309 CD2 HIS A 85 13.650 10.655 -11.683 1.00 0.00 C ATOM 1310 CE1 HIS A 85 13.185 12.728 -11.853 1.00 0.00 C ATOM 1311 NE2 HIS A 85 14.244 11.890 -11.686 1.00 0.00 N ATOM 0 H HIS A 85 12.025 7.779 -10.392 1.00 0.00 H new ATOM 0 HA HIS A 85 10.497 10.298 -9.967 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.825 8.805 -12.263 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.520 9.925 -12.601 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.156 9.707 -11.574 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.325 13.798 -11.901 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.232 12.123 -11.588 1.00 0.00 H new ATOM 1319 N VAL A 86 9.047 7.840 -9.708 1.00 0.00 N ATOM 1320 CA VAL A 86 7.902 6.937 -9.764 1.00 0.00 C ATOM 1321 C VAL A 86 6.793 7.378 -8.834 1.00 0.00 C ATOM 1322 O VAL A 86 6.948 8.238 -7.960 1.00 0.00 O ATOM 1323 CB VAL A 86 8.382 5.472 -9.415 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.539 5.138 -7.905 1.00 0.00 C ATOM 1325 CG2 VAL A 86 7.475 4.356 -9.986 1.00 0.00 C ATOM 0 H VAL A 86 9.575 7.779 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 86 7.491 6.956 -10.774 1.00 0.00 H new ATOM 0 HB VAL A 86 9.363 5.484 -9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.873 4.106 -7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.274 5.807 -7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.580 5.266 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.874 3.382 -9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.467 4.466 -9.586 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.445 4.432 -11.073 1.00 0.00 H new ATOM 1335 N LEU A 87 5.628 6.783 -9.026 1.00 0.00 N ATOM 1336 CA LEU A 87 4.403 7.163 -8.329 1.00 0.00 C ATOM 1337 C LEU A 87 3.785 5.955 -7.665 1.00 0.00 C ATOM 1338 O LEU A 87 3.632 4.896 -8.301 1.00 0.00 O ATOM 1339 CB LEU A 87 3.412 7.855 -9.310 1.00 0.00 C ATOM 1340 CG LEU A 87 3.894 8.106 -10.768 1.00 0.00 C ATOM 1341 CD1 LEU A 87 2.824 8.874 -11.554 1.00 0.00 C ATOM 1342 CD2 LEU A 87 5.227 8.874 -10.829 1.00 0.00 C ATOM 0 H LEU A 87 5.501 6.010 -9.680 1.00 0.00 H new ATOM 0 HA LEU A 87 4.645 7.883 -7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.507 7.249 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.130 8.816 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 87 4.059 7.127 -11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.173 9.044 -12.573 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.903 8.292 -11.578 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.635 9.833 -11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.515 9.021 -11.870 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.111 9.843 -10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.000 8.302 -10.316 1.00 0.00 H new ATOM 1354 N ARG A 88 3.398 6.057 -6.410 1.00 0.00 N ATOM 1355 CA ARG A 88 2.950 4.898 -5.636 1.00 0.00 C ATOM 1356 C ARG A 88 1.561 5.064 -5.060 1.00 0.00 C ATOM 1357 O ARG A 88 1.320 5.910 -4.192 1.00 0.00 O ATOM 1358 CB ARG A 88 3.988 4.649 -4.501 1.00 0.00 C ATOM 1359 CG ARG A 88 5.028 3.540 -4.799 1.00 0.00 C ATOM 1360 CD ARG A 88 6.423 3.868 -4.239 1.00 0.00 C ATOM 1361 NE ARG A 88 6.637 3.040 -3.026 1.00 0.00 N ATOM 1362 CZ ARG A 88 7.612 2.167 -2.815 1.00 0.00 C ATOM 1363 NH1 ARG A 88 8.557 1.903 -3.668 1.00 0.00 N ATOM 1364 NH2 ARG A 88 7.619 1.541 -1.691 1.00 0.00 N ATOM 0 H ARG A 88 3.382 6.936 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 88 2.888 4.041 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.518 5.580 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.451 4.388 -3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.682 2.599 -4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.099 3.394 -5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.191 3.659 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.496 4.928 -3.995 1.00 0.00 H new ATOM 0 HE ARG A 88 5.960 3.155 -2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.579 2.381 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.276 1.218 -3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.891 1.725 -1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.352 0.861 -1.490 1.00 0.00 H new ATOM 1378 N VAL A 89 0.631 4.256 -5.534 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.706 4.179 -4.944 1.00 0.00 C ATOM 1380 C VAL A 89 -0.844 2.886 -4.169 1.00 0.00 C ATOM 1381 O VAL A 89 -1.126 1.816 -4.719 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.835 4.301 -6.044 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -1.752 3.307 -7.237 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -3.269 4.163 -5.468 1.00 0.00 C ATOM 0 H VAL A 89 0.772 3.637 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.832 5.020 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.639 5.306 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.580 3.491 -7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.808 3.448 -7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.810 2.285 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.996 4.256 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.378 3.188 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.442 4.947 -4.731 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.617 2.973 -2.871 1.00 0.00 N ATOM 1395 CA LYS A 90 -0.547 1.801 -2.003 1.00 0.00 C ATOM 1396 C LYS A 90 -1.921 1.303 -1.610 1.00 0.00 C ATOM 1397 O LYS A 90 -2.893 2.051 -1.468 1.00 0.00 O ATOM 1398 CB LYS A 90 0.289 2.148 -0.739 1.00 0.00 C ATOM 1399 CG LYS A 90 1.139 0.962 -0.219 1.00 0.00 C ATOM 1400 CD LYS A 90 2.482 1.358 0.399 1.00 0.00 C ATOM 1401 CE LYS A 90 2.333 1.429 1.925 1.00 0.00 C ATOM 1402 NZ LYS A 90 3.518 0.824 2.561 1.00 0.00 N ATOM 0 H LYS A 90 -0.475 3.858 -2.384 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.064 0.995 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.948 2.985 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.383 2.478 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.559 0.416 0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.323 0.275 -1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.248 0.631 0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.806 2.322 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.225 2.466 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.431 0.904 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.419 0.871 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.601 -0.170 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.371 1.344 2.271 1.00 0.00 H new ATOM 1416 N LEU A 91 -2.007 0.001 -1.400 1.00 0.00 N ATOM 1417 CA LEU A 91 -3.252 -0.685 -1.069 1.00 0.00 C ATOM 1418 C LEU A 91 -3.346 -0.899 0.421 1.00 0.00 C ATOM 1419 O LEU A 91 -2.655 -0.246 1.218 1.00 0.00 O ATOM 1420 CB LEU A 91 -3.376 -2.055 -1.809 1.00 0.00 C ATOM 1421 CG LEU A 91 -2.984 -2.164 -3.312 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -1.992 -1.077 -3.773 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -2.391 -3.547 -3.656 1.00 0.00 C ATOM 0 H LEU A 91 -1.202 -0.623 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.074 -0.051 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.768 -2.776 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.413 -2.380 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.922 -2.018 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.765 -1.216 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.436 -0.093 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.073 -1.153 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.132 -3.579 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.496 -3.718 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.126 -4.322 -3.439 1.00 0.00 H new ATOM 1435 N ALA A 92 -4.214 -1.803 0.835 1.00 0.00 N ATOM 1436 CA ALA A 92 -4.267 -2.233 2.229 1.00 0.00 C ATOM 1437 C ALA A 92 -3.927 -3.701 2.355 1.00 0.00 C ATOM 1438 O ALA A 92 -4.253 -4.349 3.365 1.00 0.00 O ATOM 1439 CB ALA A 92 -5.665 -1.895 2.774 1.00 0.00 C ATOM 0 H ALA A 92 -4.896 -2.258 0.228 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.521 -1.707 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.734 -2.206 3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.833 -0.820 2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.420 -2.419 2.188 1.00 0.00 H new ATOM 1445 N ASN A 93 -3.283 -4.271 1.354 1.00 0.00 N ATOM 1446 CA ASN A 93 -2.774 -5.641 1.436 1.00 0.00 C ATOM 1447 C ASN A 93 -1.271 -5.670 1.291 1.00 0.00 C ATOM 1448 O ASN A 93 -0.682 -6.697 0.910 1.00 0.00 O ATOM 1449 CB ASN A 93 -3.451 -6.511 0.336 1.00 0.00 C ATOM 1450 CG ASN A 93 -3.218 -6.091 -1.119 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -4.134 -5.379 -1.721 1.00 0.00 O flip ATOM 1452 ND2 ASN A 93 -2.200 -6.380 -1.729 1.00 0.00 N flip ATOM 0 H ASN A 93 -3.095 -3.808 0.465 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.017 -6.050 2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.103 -7.537 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.525 -6.516 0.520 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.474 -6.935 -1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.076 -6.066 -2.692 1.00 0.00 H new ATOM 1459 N GLY A 94 -0.605 -4.568 1.581 1.00 0.00 N ATOM 1460 CA GLY A 94 0.856 -4.513 1.537 1.00 0.00 C ATOM 1461 C GLY A 94 1.377 -4.074 0.192 1.00 0.00 C ATOM 1462 O GLY A 94 2.299 -3.244 0.095 1.00 0.00 O ATOM 0 H GLY A 94 -1.050 -3.691 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.214 -3.826 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.261 -5.496 1.777 1.00 0.00 H new ATOM 1466 N ALA A 95 0.802 -4.584 -0.880 1.00 0.00 N ATOM 1467 CA ALA A 95 1.322 -4.348 -2.226 1.00 0.00 C ATOM 1468 C ALA A 95 1.056 -2.930 -2.679 1.00 0.00 C ATOM 1469 O ALA A 95 0.036 -2.322 -2.336 1.00 0.00 O ATOM 1470 CB ALA A 95 0.690 -5.396 -3.157 1.00 0.00 C ATOM 0 H ALA A 95 -0.032 -5.170 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 95 2.406 -4.457 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.057 -5.249 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.959 -6.396 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.395 -5.288 -3.144 1.00 0.00 H new ATOM 1476 N LEU A 96 1.979 -2.367 -3.437 1.00 0.00 N ATOM 1477 CA LEU A 96 1.816 -1.023 -3.990 1.00 0.00 C ATOM 1478 C LEU A 96 1.855 -1.035 -5.501 1.00 0.00 C ATOM 1479 O LEU A 96 2.504 -1.893 -6.121 1.00 0.00 O ATOM 1480 CB LEU A 96 2.903 -0.072 -3.413 1.00 0.00 C ATOM 1481 CG LEU A 96 4.171 -0.713 -2.785 1.00 0.00 C ATOM 1482 CD1 LEU A 96 5.124 -1.193 -3.888 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.915 0.239 -1.835 1.00 0.00 C ATOM 0 H LEU A 96 2.858 -2.819 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 96 0.834 -0.652 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.226 0.592 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.432 0.552 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 96 3.831 -1.561 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.009 -1.640 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.619 -1.934 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.422 -0.346 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.791 -0.265 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.229 1.127 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.253 0.531 -1.020 1.00 0.00 H new ATOM 1495 N PHE A 97 1.173 -0.094 -6.137 1.00 0.00 N ATOM 1496 CA PHE A 97 1.263 0.063 -7.591 1.00 0.00 C ATOM 1497 C PHE A 97 2.205 1.189 -7.951 1.00 0.00 C ATOM 1498 O PHE A 97 1.855 2.374 -7.923 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.145 0.351 -8.204 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.283 -0.557 -7.716 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.217 -1.942 -7.901 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.380 -0.003 -7.047 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.265 -2.753 -7.471 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -3.445 -0.808 -6.660 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.398 -2.181 -6.895 1.00 0.00 C ATOM 0 H PHE A 97 0.553 0.572 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 97 1.648 -0.870 -8.002 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.411 1.385 -7.986 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.074 0.262 -9.288 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.354 -2.383 -8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.399 1.055 -6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.199 -3.825 -7.584 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.307 -0.371 -6.178 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.241 -2.803 -6.630 1.00 0.00 H new ATOM 1515 N LEU A 98 3.435 0.829 -8.279 1.00 0.00 N ATOM 1516 CA LEU A 98 4.473 1.799 -8.629 1.00 0.00 C ATOM 1517 C LEU A 98 4.454 2.095 -10.109 1.00 0.00 C ATOM 1518 O LEU A 98 4.241 1.191 -10.938 1.00 0.00 O ATOM 1519 CB LEU A 98 5.882 1.304 -8.188 1.00 0.00 C ATOM 1520 CG LEU A 98 6.000 0.482 -6.875 1.00 0.00 C ATOM 1521 CD1 LEU A 98 7.370 0.649 -6.195 1.00 0.00 C ATOM 1522 CD2 LEU A 98 4.886 0.878 -5.898 1.00 0.00 C ATOM 0 H LEU A 98 3.747 -0.142 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 98 4.258 2.722 -8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.289 0.697 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.525 2.178 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 98 5.897 -0.568 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.398 0.053 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.156 0.313 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.528 1.699 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.981 0.294 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.969 1.939 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.916 0.683 -6.354 1.00 0.00 H new ATOM 1534 N LEU A 99 4.663 3.344 -10.488 1.00 0.00 N ATOM 1535 CA LEU A 99 4.532 3.748 -11.887 1.00 0.00 C ATOM 1536 C LEU A 99 5.712 4.574 -12.345 1.00 0.00 C ATOM 1537 O LEU A 99 5.865 5.746 -11.965 1.00 0.00 O ATOM 1538 CB LEU A 99 3.203 4.527 -12.115 1.00 0.00 C ATOM 1539 CG LEU A 99 2.058 4.370 -11.075 1.00 0.00 C ATOM 1540 CD1 LEU A 99 0.774 5.022 -11.613 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.772 2.910 -10.696 1.00 0.00 C ATOM 0 H LEU A 99 4.924 4.098 -9.852 1.00 0.00 H new ATOM 0 HA LEU A 99 4.512 2.838 -12.486 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.448 5.587 -12.179 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.809 4.231 -13.087 1.00 0.00 H new ATOM 0 HG LEU A 99 2.393 4.871 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.026 4.909 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.953 6.082 -11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.483 4.538 -12.545 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.962 2.875 -9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.482 2.353 -11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.668 2.464 -10.265 1.00 0.00 H new ATOM 1553 N GLN A 100 6.575 3.992 -13.153 1.00 0.00 N ATOM 1554 CA GLN A 100 7.655 4.736 -13.797 1.00 0.00 C ATOM 1555 C GLN A 100 7.301 5.020 -15.239 1.00 0.00 C ATOM 1556 O GLN A 100 7.465 4.170 -16.120 1.00 0.00 O ATOM 1557 CB GLN A 100 8.983 3.942 -13.705 1.00 0.00 C ATOM 1558 CG GLN A 100 10.072 4.463 -14.730 1.00 0.00 C ATOM 1559 CD GLN A 100 11.525 4.002 -14.655 1.00 0.00 C ATOM 1560 OE1 GLN A 100 11.950 3.120 -15.391 1.00 0.00 O ATOM 1561 NE2 GLN A 100 12.356 4.565 -13.814 1.00 0.00 N ATOM 0 H GLN A 100 6.554 2.999 -13.385 1.00 0.00 H new ATOM 0 HA GLN A 100 7.788 5.686 -13.280 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.378 4.016 -12.692 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.786 2.887 -13.894 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.712 4.214 -15.728 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.081 5.551 -14.657 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.028 5.302 -13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.331 4.266 -13.783 1.00 0.00 H new ATOM 1570 N ALA A 101 6.832 6.226 -15.494 1.00 0.00 N ATOM 1571 CA ALA A 101 6.314 6.594 -16.809 1.00 0.00 C ATOM 1572 C ALA A 101 7.433 6.938 -17.766 1.00 0.00 C ATOM 1573 O ALA A 101 8.604 7.060 -17.393 1.00 0.00 O ATOM 1574 CB ALA A 101 5.325 7.757 -16.611 1.00 0.00 C ATOM 0 H ALA A 101 6.797 6.977 -14.805 1.00 0.00 H new ATOM 0 HA ALA A 101 5.793 5.752 -17.265 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.918 8.057 -17.577 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.512 7.437 -15.959 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.843 8.602 -16.157 1.00 0.00 H new ATOM 1580 N HIS A 102 7.074 7.104 -19.028 1.00 0.00 N ATOM 1581 CA HIS A 102 8.026 7.469 -20.072 1.00 0.00 C ATOM 1582 C HIS A 102 8.519 8.884 -19.885 1.00 0.00 C ATOM 1583 O HIS A 102 9.651 9.132 -19.455 1.00 0.00 O ATOM 1584 CB HIS A 102 7.273 7.338 -21.407 1.00 0.00 C ATOM 1585 CG HIS A 102 8.034 7.903 -22.570 1.00 0.00 C ATOM 1586 ND1 HIS A 102 9.346 8.368 -22.545 1.00 0.00 N ATOM 1587 CD2 HIS A 102 7.478 8.022 -23.839 1.00 0.00 C ATOM 1588 CE1 HIS A 102 9.484 8.743 -23.831 1.00 0.00 C ATOM 1589 NE2 HIS A 102 8.423 8.571 -24.666 1.00 0.00 N ATOM 0 H HIS A 102 6.117 6.990 -19.361 1.00 0.00 H new ATOM 0 HA HIS A 102 8.903 6.822 -20.041 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.061 6.286 -21.596 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.313 7.847 -21.327 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.477 7.733 -24.123 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.410 9.168 -24.189 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.350 8.795 -25.658 1.00 0.00 H new ATOM 1597 N ASP A 103 7.677 9.841 -20.229 1.00 0.00 N ATOM 1598 CA ASP A 103 8.068 11.247 -20.245 1.00 0.00 C ATOM 1599 C ASP A 103 7.792 11.908 -18.917 1.00 0.00 C ATOM 1600 O ASP A 103 7.164 11.326 -18.018 1.00 0.00 O ATOM 1601 CB ASP A 103 7.346 11.986 -21.403 1.00 0.00 C ATOM 1602 CG ASP A 103 8.143 13.078 -22.133 1.00 0.00 C ATOM 1603 OD1 ASP A 103 8.905 12.585 -23.155 1.00 0.00 O ATOM 1604 OD2 ASP A 103 8.077 14.262 -21.834 1.00 0.00 O ATOM 0 H ASP A 103 6.709 9.673 -20.504 1.00 0.00 H new ATOM 0 HA ASP A 103 9.143 11.305 -20.415 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.036 11.244 -22.138 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.438 12.438 -21.003 1.00 0.00 H new ATOM 1609 N ASP A 104 8.263 13.130 -18.751 1.00 0.00 N ATOM 1610 CA ASP A 104 7.903 13.927 -17.582 1.00 0.00 C ATOM 1611 C ASP A 104 6.568 14.607 -17.789 1.00 0.00 C ATOM 1612 O ASP A 104 6.051 15.271 -16.867 1.00 0.00 O ATOM 1613 CB ASP A 104 9.019 14.949 -17.241 1.00 0.00 C ATOM 1614 CG ASP A 104 10.342 14.833 -18.009 1.00 0.00 C ATOM 1615 OD1 ASP A 104 11.228 14.048 -17.699 1.00 0.00 O ATOM 1616 OD2 ASP A 104 10.429 15.711 -19.053 1.00 0.00 O ATOM 0 H ASP A 104 8.893 13.595 -19.405 1.00 0.00 H new ATOM 0 HA ASP A 104 7.804 13.257 -16.728 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.621 15.950 -17.406 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.239 14.865 -16.177 1.00 0.00 H new ATOM 1621 N THR A 105 5.959 14.461 -18.951 1.00 0.00 N ATOM 1622 CA THR A 105 4.605 14.969 -19.175 1.00 0.00 C ATOM 1623 C THR A 105 3.583 13.995 -18.644 1.00 0.00 C ATOM 1624 O THR A 105 2.661 14.329 -17.880 1.00 0.00 O ATOM 1625 CB THR A 105 4.369 15.254 -20.697 1.00 0.00 C ATOM 1626 OG1 THR A 105 5.406 16.077 -21.216 1.00 0.00 O ATOM 1627 CG2 THR A 105 3.066 15.995 -21.061 1.00 0.00 C ATOM 0 H THR A 105 6.374 13.996 -19.758 1.00 0.00 H new ATOM 0 HA THR A 105 4.493 15.909 -18.634 1.00 0.00 H new ATOM 0 HB THR A 105 4.329 14.251 -21.121 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.193 15.527 -21.411 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.016 16.134 -22.141 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.209 15.408 -20.731 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.051 16.968 -20.569 1.00 0.00 H new ATOM 1635 N GLU A 106 3.748 12.740 -19.013 1.00 0.00 N ATOM 1636 CA GLU A 106 2.822 11.687 -18.606 1.00 0.00 C ATOM 1637 C GLU A 106 3.172 11.222 -17.208 1.00 0.00 C ATOM 1638 O GLU A 106 2.308 10.660 -16.504 1.00 0.00 O ATOM 1639 CB GLU A 106 2.901 10.553 -19.679 1.00 0.00 C ATOM 1640 CG GLU A 106 2.996 9.090 -19.131 1.00 0.00 C ATOM 1641 CD GLU A 106 1.758 8.199 -19.246 1.00 0.00 C ATOM 1642 OE1 GLU A 106 0.712 8.605 -18.473 1.00 0.00 O ATOM 1643 OE2 GLU A 106 1.713 7.212 -19.970 1.00 0.00 O ATOM 0 H GLU A 106 4.519 12.417 -19.598 1.00 0.00 H new ATOM 0 HA GLU A 106 1.791 12.037 -18.559 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.020 10.623 -20.318 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.769 10.739 -20.311 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.815 8.592 -19.649 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.271 9.145 -18.078 1.00 0.00 H new ATOM 1650 N MET A 107 4.408 11.418 -16.779 1.00 0.00 N ATOM 1651 CA MET A 107 4.837 10.876 -15.484 1.00 0.00 C ATOM 1652 C MET A 107 4.042 11.533 -14.376 1.00 0.00 C ATOM 1653 O MET A 107 3.488 10.916 -13.460 1.00 0.00 O ATOM 1654 CB MET A 107 6.362 11.081 -15.279 1.00 0.00 C ATOM 1655 CG MET A 107 6.893 10.859 -13.847 1.00 0.00 C ATOM 1656 SD MET A 107 8.674 11.120 -13.811 1.00 0.00 S ATOM 1657 CE MET A 107 8.718 12.488 -12.645 1.00 0.00 C ATOM 0 H MET A 107 5.124 11.935 -17.289 1.00 0.00 H new ATOM 0 HA MET A 107 4.648 9.803 -15.463 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.892 10.404 -15.950 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.615 12.096 -15.585 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.402 11.544 -13.157 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.657 9.848 -13.514 1.00 0.00 H new ATOM 0 HE1 MET A 107 9.583 13.117 -12.855 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.807 13.079 -12.742 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.791 12.098 -11.630 1.00 0.00 H new ATOM 1667 N SER A 108 3.952 12.857 -14.479 1.00 0.00 N ATOM 1668 CA SER A 108 3.117 13.663 -13.596 1.00 0.00 C ATOM 1669 C SER A 108 1.653 13.339 -13.793 1.00 0.00 C ATOM 1670 O SER A 108 0.934 13.035 -12.830 1.00 0.00 O ATOM 1671 CB SER A 108 3.396 15.173 -13.794 1.00 0.00 C ATOM 1672 OG SER A 108 4.693 15.564 -13.330 1.00 0.00 O ATOM 0 H SER A 108 4.457 13.401 -15.179 1.00 0.00 H new ATOM 0 HA SER A 108 3.374 13.415 -12.566 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.304 15.419 -14.852 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.637 15.750 -13.266 1.00 0.00 H new ATOM 0 HG SER A 108 4.818 16.524 -13.480 1.00 0.00 H new ATOM 1678 N GLN A 109 1.176 13.390 -15.025 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.221 13.065 -15.318 1.00 0.00 C ATOM 1680 C GLN A 109 -0.603 11.734 -14.710 1.00 0.00 C ATOM 1681 O GLN A 109 -1.788 11.544 -14.342 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.415 13.072 -16.850 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.860 14.431 -17.483 1.00 0.00 C ATOM 1684 CD GLN A 109 -1.126 14.515 -18.992 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -1.523 13.545 -19.617 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -0.950 15.646 -19.624 1.00 0.00 N ATOM 0 H GLN A 109 1.729 13.652 -15.841 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.879 13.811 -14.873 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.522 12.768 -17.316 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.158 12.316 -17.105 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.771 14.745 -16.974 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.092 15.168 -17.246 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.619 16.467 -19.118 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.144 15.707 -20.624 1.00 0.00 H new ATOM 1695 N TRP A 110 0.302 10.781 -14.595 1.00 0.00 N ATOM 1696 CA TRP A 110 0.014 9.541 -13.865 1.00 0.00 C ATOM 1697 C TRP A 110 -0.259 9.842 -12.410 1.00 0.00 C ATOM 1698 O TRP A 110 -1.254 9.383 -11.841 1.00 0.00 O ATOM 1699 CB TRP A 110 1.206 8.547 -13.956 1.00 0.00 C ATOM 1700 CG TRP A 110 1.163 7.588 -15.151 1.00 0.00 C ATOM 1701 CD1 TRP A 110 2.044 7.558 -16.251 1.00 0.00 C ATOM 1702 CD2 TRP A 110 0.311 6.510 -15.323 1.00 0.00 C ATOM 1703 NE1 TRP A 110 1.770 6.472 -17.107 1.00 0.00 N ATOM 1704 CE2 TRP A 110 0.692 5.839 -16.510 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -0.783 6.041 -14.546 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.003 4.679 -16.919 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.394 4.846 -14.925 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.021 4.181 -16.102 1.00 0.00 C ATOM 0 H TRP A 110 1.240 10.832 -14.992 1.00 0.00 H new ATOM 0 HA TRP A 110 -0.865 9.086 -14.322 1.00 0.00 H new ATOM 0 HB2 TRP A 110 2.133 9.119 -14.002 1.00 0.00 H new ATOM 0 HB3 TRP A 110 1.239 7.959 -13.039 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.832 8.278 -16.417 1.00 0.00 H new ATOM 0 HE1 TRP A 110 2.253 6.212 -17.967 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.131 6.594 -13.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 0.248 4.186 -17.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.168 4.425 -14.301 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.529 3.270 -16.381 1.00 0.00 H new ATOM 1719 N VAL A 111 0.626 10.587 -11.773 1.00 0.00 N ATOM 1720 CA VAL A 111 0.463 10.923 -10.357 1.00 0.00 C ATOM 1721 C VAL A 111 -0.810 11.702 -10.102 1.00 0.00 C ATOM 1722 O VAL A 111 -1.644 11.334 -9.261 1.00 0.00 O ATOM 1723 CB VAL A 111 1.731 11.726 -9.858 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.630 13.278 -9.871 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.172 11.366 -8.419 1.00 0.00 C ATOM 0 H VAL A 111 1.465 10.973 -12.206 1.00 0.00 H new ATOM 0 HA VAL A 111 0.378 9.995 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 111 2.453 11.407 -10.610 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.564 13.706 -9.506 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.446 13.622 -10.889 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.810 13.595 -9.227 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.047 11.957 -8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.360 11.581 -7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.421 10.306 -8.369 1.00 0.00 H new ATOM 1735 N THR A 112 -0.988 12.810 -10.801 1.00 0.00 N ATOM 1736 CA THR A 112 -2.209 13.612 -10.720 1.00 0.00 C ATOM 1737 C THR A 112 -3.443 12.750 -10.859 1.00 0.00 C ATOM 1738 O THR A 112 -4.404 12.895 -10.066 1.00 0.00 O ATOM 1739 CB THR A 112 -2.188 14.744 -11.804 1.00 0.00 C ATOM 1740 OG1 THR A 112 -1.266 14.436 -12.836 1.00 0.00 O ATOM 1741 CG2 THR A 112 -1.758 16.147 -11.317 1.00 0.00 C ATOM 0 H THR A 112 -0.291 13.185 -11.444 1.00 0.00 H new ATOM 0 HA THR A 112 -2.246 14.077 -9.735 1.00 0.00 H new ATOM 0 HB THR A 112 -3.230 14.780 -12.121 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.077 15.244 -13.357 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.782 16.846 -12.153 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.442 16.488 -10.540 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.746 16.098 -10.914 1.00 0.00 H new ATOM 1749 N SER A 113 -3.486 11.833 -11.806 1.00 0.00 N ATOM 1750 CA SER A 113 -4.644 10.956 -11.984 1.00 0.00 C ATOM 1751 C SER A 113 -4.807 10.026 -10.801 1.00 0.00 C ATOM 1752 O SER A 113 -5.867 9.887 -10.181 1.00 0.00 O ATOM 1753 CB SER A 113 -4.541 10.177 -13.319 1.00 0.00 C ATOM 1754 OG SER A 113 -5.816 9.976 -13.941 1.00 0.00 O ATOM 0 H SER A 113 -2.731 11.670 -12.472 1.00 0.00 H new ATOM 0 HA SER A 113 -5.540 11.575 -12.033 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.889 10.721 -14.003 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.074 9.209 -13.135 1.00 0.00 H new ATOM 0 HG SER A 113 -5.697 9.482 -14.779 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.723 9.336 -10.475 1.00 0.00 N ATOM 1761 CA LEU A 114 -3.611 8.484 -9.297 1.00 0.00 C ATOM 1762 C LEU A 114 -4.227 9.132 -8.080 1.00 0.00 C ATOM 1763 O LEU A 114 -4.890 8.486 -7.261 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.115 8.132 -9.026 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.345 7.246 -10.048 1.00 0.00 C ATOM 1766 CD1 LEU A 114 0.131 7.668 -10.205 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -1.389 5.779 -9.591 1.00 0.00 C ATOM 0 H LEU A 114 -2.873 9.353 -11.038 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.163 7.566 -9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.570 9.071 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.066 7.634 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.836 7.372 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.620 7.017 -10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.179 8.700 -10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.637 7.586 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.850 5.159 -10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.923 5.689 -8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.426 5.447 -9.532 1.00 0.00 H new ATOM 1779 N LYS A 115 -3.997 10.424 -7.930 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.409 11.149 -6.732 1.00 0.00 C ATOM 1781 C LYS A 115 -5.908 11.328 -6.697 1.00 0.00 C ATOM 1782 O LYS A 115 -6.556 11.197 -5.650 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.679 12.520 -6.681 1.00 0.00 C ATOM 1784 CG LYS A 115 -2.278 12.443 -6.023 1.00 0.00 C ATOM 1785 CD LYS A 115 -2.218 12.919 -4.570 1.00 0.00 C ATOM 1786 CE LYS A 115 -2.189 14.453 -4.541 1.00 0.00 C ATOM 1787 NZ LYS A 115 -1.279 14.907 -3.475 1.00 0.00 N ATOM 0 H LYS A 115 -3.524 11.000 -8.626 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.132 10.569 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.576 12.907 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.294 13.231 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.929 11.411 -6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.583 13.039 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.082 12.549 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.331 12.517 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.858 14.839 -5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.192 14.843 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.259 15.947 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.613 14.549 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.321 14.546 -3.659 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.495 11.610 -7.846 1.00 0.00 N ATOM 1802 CA ALA A 116 -7.950 11.665 -7.970 1.00 0.00 C ATOM 1803 C ALA A 116 -8.591 10.378 -7.505 1.00 0.00 C ATOM 1804 O ALA A 116 -9.741 10.364 -7.035 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.279 11.996 -9.436 1.00 0.00 C ATOM 0 H ALA A 116 -5.990 11.806 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.362 12.441 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.360 12.045 -9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.839 12.958 -9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.871 11.220 -10.084 1.00 0.00 H new ATOM 1811 N GLN A 117 -7.882 9.270 -7.617 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.450 7.951 -7.336 1.00 0.00 C ATOM 1813 C GLN A 117 -8.230 7.519 -5.902 1.00 0.00 C ATOM 1814 O GLN A 117 -9.128 7.543 -5.056 1.00 0.00 O ATOM 1815 CB GLN A 117 -7.803 6.931 -8.299 1.00 0.00 C ATOM 1816 CG GLN A 117 -8.537 6.695 -9.659 1.00 0.00 C ATOM 1817 CD GLN A 117 -8.923 7.901 -10.524 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -8.558 9.029 -10.236 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -9.651 7.727 -11.598 1.00 0.00 N ATOM 0 H GLN A 117 -6.903 9.251 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.529 8.001 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.786 7.260 -8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.726 5.974 -7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -7.903 6.047 -10.265 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.450 6.139 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.965 6.791 -11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.904 8.527 -12.178 1.00 0.00 H new ATOM 1828 N SER A 118 -7.018 7.086 -5.620 1.00 0.00 N ATOM 1829 CA SER A 118 -6.575 6.464 -4.377 1.00 0.00 C ATOM 1830 C SER A 118 -7.412 6.862 -3.182 1.00 0.00 C ATOM 1831 O SER A 118 -8.278 6.117 -2.712 1.00 0.00 O ATOM 1832 CB SER A 118 -5.079 6.795 -4.128 1.00 0.00 C ATOM 1833 OG SER A 118 -4.723 6.861 -2.745 1.00 0.00 O ATOM 0 H SER A 118 -6.259 7.162 -6.297 1.00 0.00 H new ATOM 0 HA SER A 118 -6.702 5.388 -4.494 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.464 6.039 -4.616 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.845 7.749 -4.599 1.00 0.00 H new ATOM 0 HG SER A 118 -4.378 7.755 -2.538 1.00 0.00 H new