USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 739 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 79 LYS NZ :NH3+ 142:sc= 0.622 (180deg=-0.434) USER MOD Set 1.2: A 88 TYR OH : rot 150:sc= -0.178 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.073 (180deg=-0.876) USER MOD Single : A 3 THR OG1 : rot 180:sc=0.000478 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00495) USER MOD Single : A 11 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0.011) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.2 K(o=-0.2,f=-2.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0.175 (180deg=0.174) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.167 K(o=-0.17,f=-3!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -131:sc= -0.445 (180deg=-2.19!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 53 SER OG : rot 180:sc= -0.255 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.371 F(o=-1.2,f=-0.37) USER MOD Single : A 68 HIS : no HD1:sc= -0.374 K(o=-0.37,f=-0.89) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 36:sc= -0.928 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.52 K(o=-0.52,f=-4.1!) USER MOD Single : A 99 HIS : no HE2:sc= -6.29! C(o=-6.3!,f=-8.4!) USER MOD Single : A 100 SER OG : rot 71:sc= 0.205 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 38:sc= 0.0342 USER MOD Single : A 114 SER OG : rot -52:sc= 0.353 USER MOD Single : A 115 LYS NZ :NH3+ -165:sc=-0.00151 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.662 6.806 -0.157 1.00 52.14 N ATOM 2 CA MET A 1 -17.611 7.753 0.195 1.00 23.11 C ATOM 3 C MET A 1 -16.284 7.034 0.416 1.00 2.14 C ATOM 4 O MET A 1 -16.072 6.408 1.455 1.00 23.44 O ATOM 5 CB MET A 1 -17.998 8.532 1.454 1.00 24.24 C ATOM 6 CG MET A 1 -19.366 9.188 1.366 1.00 70.30 C ATOM 7 SD MET A 1 -20.498 8.610 2.644 1.00 32.45 S ATOM 8 CE MET A 1 -20.665 10.086 3.643 1.00 63.14 C ATOM 0 H1 MET A 1 -19.333 7.259 -0.810 1.00 52.14 H new ATOM 0 H2 MET A 1 -18.240 5.974 -0.617 1.00 52.14 H new ATOM 0 H3 MET A 1 -19.164 6.509 0.704 1.00 52.14 H new ATOM 0 HA MET A 1 -17.492 8.451 -0.634 1.00 23.11 H new ATOM 0 HB2 MET A 1 -17.983 7.856 2.309 1.00 24.24 H new ATOM 0 HB3 MET A 1 -17.247 9.300 1.641 1.00 24.24 H new ATOM 0 HG2 MET A 1 -19.252 10.269 1.449 1.00 70.30 H new ATOM 0 HG3 MET A 1 -19.798 8.987 0.386 1.00 70.30 H new ATOM 0 HE1 MET A 1 -21.338 9.887 4.477 1.00 63.14 H new ATOM 0 HE2 MET A 1 -19.688 10.378 4.027 1.00 63.14 H new ATOM 0 HE3 MET A 1 -21.072 10.893 3.034 1.00 63.14 H new ATOM 16 N ASP A 2 -15.394 7.127 -0.565 1.00 52.24 N ATOM 17 CA ASP A 2 -14.087 6.486 -0.477 1.00 44.05 C ATOM 18 C ASP A 2 -13.094 7.144 -1.431 1.00 2.32 C ATOM 19 O ASP A 2 -12.865 6.657 -2.539 1.00 31.12 O ATOM 20 CB ASP A 2 -14.205 4.995 -0.793 1.00 23.54 C ATOM 21 CG ASP A 2 -14.573 4.172 0.427 1.00 42.42 C ATOM 22 OD1 ASP A 2 -13.977 4.403 1.499 1.00 2.24 O ATOM 23 OD2 ASP A 2 -15.457 3.298 0.308 1.00 53.30 O ATOM 0 H ASP A 2 -15.554 7.641 -1.432 1.00 52.24 H new ATOM 0 HA ASP A 2 -13.718 6.606 0.542 1.00 44.05 H new ATOM 0 HB2 ASP A 2 -14.959 4.849 -1.567 1.00 23.54 H new ATOM 0 HB3 ASP A 2 -13.259 4.636 -1.198 1.00 23.54 H new ATOM 27 N THR A 3 -12.508 8.254 -0.994 1.00 32.10 N ATOM 28 CA THR A 3 -11.542 8.980 -1.809 1.00 73.33 C ATOM 29 C THR A 3 -10.124 8.785 -1.284 1.00 62.22 C ATOM 30 O THR A 3 -9.925 8.298 -0.172 1.00 21.23 O ATOM 31 CB THR A 3 -11.860 10.486 -1.850 1.00 4.24 C ATOM 32 OG1 THR A 3 -12.859 10.802 -0.873 1.00 75.14 O ATOM 33 CG2 THR A 3 -12.343 10.901 -3.231 1.00 30.12 C ATOM 0 H THR A 3 -12.686 8.670 -0.080 1.00 32.10 H new ATOM 0 HA THR A 3 -11.612 8.575 -2.818 1.00 73.33 H new ATOM 0 HB THR A 3 -10.945 11.034 -1.624 1.00 4.24 H new ATOM 0 HG1 THR A 3 -13.055 11.762 -0.904 1.00 75.14 H new ATOM 0 HG21 THR A 3 -12.561 11.969 -3.234 1.00 30.12 H new ATOM 0 HG22 THR A 3 -11.568 10.686 -3.967 1.00 30.12 H new ATOM 0 HG23 THR A 3 -13.246 10.345 -3.483 1.00 30.12 H new ATOM 41 N SER A 4 -9.141 9.170 -2.092 1.00 23.03 N ATOM 42 CA SER A 4 -7.740 9.035 -1.710 1.00 2.12 C ATOM 43 C SER A 4 -7.457 9.780 -0.408 1.00 14.43 C ATOM 44 O SER A 4 -6.583 9.390 0.367 1.00 14.33 O ATOM 45 CB SER A 4 -6.833 9.565 -2.821 1.00 61.22 C ATOM 46 OG SER A 4 -6.962 10.970 -2.958 1.00 30.22 O ATOM 0 H SER A 4 -9.289 9.578 -3.015 1.00 23.03 H new ATOM 0 HA SER A 4 -7.532 7.976 -1.555 1.00 2.12 H new ATOM 0 HB2 SER A 4 -5.796 9.312 -2.600 1.00 61.22 H new ATOM 0 HB3 SER A 4 -7.086 9.080 -3.764 1.00 61.22 H new ATOM 0 HG SER A 4 -6.371 11.285 -3.673 1.00 30.22 H new ATOM 51 N LYS A 5 -8.204 10.853 -0.174 1.00 51.34 N ATOM 52 CA LYS A 5 -8.037 11.653 1.033 1.00 54.24 C ATOM 53 C LYS A 5 -8.423 10.854 2.274 1.00 33.31 C ATOM 54 O LYS A 5 -7.932 11.118 3.371 1.00 45.01 O ATOM 55 CB LYS A 5 -8.887 12.924 0.949 1.00 61.44 C ATOM 56 CG LYS A 5 -8.154 14.106 0.336 1.00 15.23 C ATOM 57 CD LYS A 5 -8.815 15.423 0.705 1.00 2.42 C ATOM 58 CE LYS A 5 -7.802 16.425 1.237 1.00 21.21 C ATOM 59 NZ LYS A 5 -8.415 17.761 1.476 1.00 74.00 N ATOM 0 H LYS A 5 -8.932 11.189 -0.805 1.00 51.34 H new ATOM 0 HA LYS A 5 -6.986 11.929 1.112 1.00 54.24 H new ATOM 0 HB2 LYS A 5 -9.780 12.716 0.360 1.00 61.44 H new ATOM 0 HB3 LYS A 5 -9.222 13.194 1.951 1.00 61.44 H new ATOM 0 HG2 LYS A 5 -7.118 14.110 0.676 1.00 15.23 H new ATOM 0 HG3 LYS A 5 -8.133 14.000 -0.749 1.00 15.23 H new ATOM 0 HD2 LYS A 5 -9.314 15.839 -0.170 1.00 2.42 H new ATOM 0 HD3 LYS A 5 -9.584 15.247 1.457 1.00 2.42 H new ATOM 0 HE2 LYS A 5 -7.375 16.050 2.167 1.00 21.21 H new ATOM 0 HE3 LYS A 5 -6.982 16.524 0.526 1.00 21.21 H new ATOM 0 HZ1 LYS A 5 -7.692 18.415 1.838 1.00 74.00 H new ATOM 0 HZ2 LYS A 5 -8.801 18.131 0.584 1.00 74.00 H new ATOM 0 HZ3 LYS A 5 -9.181 17.672 2.173 1.00 74.00 H new ATOM 69 N PHE A 6 -9.302 9.875 2.092 1.00 33.40 N ATOM 70 CA PHE A 6 -9.752 9.036 3.196 1.00 71.00 C ATOM 71 C PHE A 6 -8.832 7.832 3.374 1.00 13.53 C ATOM 72 O PHE A 6 -8.693 7.302 4.477 1.00 44.24 O ATOM 73 CB PHE A 6 -11.188 8.564 2.954 1.00 5.02 C ATOM 74 CG PHE A 6 -12.197 9.234 3.842 1.00 34.31 C ATOM 75 CD1 PHE A 6 -12.509 8.701 5.083 1.00 73.13 C ATOM 76 CD2 PHE A 6 -12.833 10.396 3.437 1.00 63.53 C ATOM 77 CE1 PHE A 6 -13.439 9.315 5.901 1.00 60.44 C ATOM 78 CE2 PHE A 6 -13.762 11.016 4.251 1.00 23.25 C ATOM 79 CZ PHE A 6 -14.064 10.475 5.485 1.00 11.24 C ATOM 0 H PHE A 6 -9.717 9.643 1.190 1.00 33.40 H new ATOM 0 HA PHE A 6 -9.722 9.632 4.108 1.00 71.00 H new ATOM 0 HB2 PHE A 6 -11.452 8.749 1.913 1.00 5.02 H new ATOM 0 HB3 PHE A 6 -11.239 7.486 3.109 1.00 5.02 H new ATOM 0 HD1 PHE A 6 -12.020 7.797 5.414 1.00 73.13 H new ATOM 0 HD2 PHE A 6 -12.600 10.823 2.473 1.00 63.53 H new ATOM 0 HE1 PHE A 6 -13.677 8.888 6.864 1.00 60.44 H new ATOM 0 HE2 PHE A 6 -14.251 11.921 3.923 1.00 23.25 H new ATOM 0 HZ PHE A 6 -14.788 10.958 6.124 1.00 11.24 H new ATOM 88 N TRP A 7 -8.208 7.405 2.282 1.00 5.23 N ATOM 89 CA TRP A 7 -7.302 6.263 2.318 1.00 22.31 C ATOM 90 C TRP A 7 -5.863 6.717 2.540 1.00 14.44 C ATOM 91 O TRP A 7 -4.958 5.894 2.685 1.00 45.51 O ATOM 92 CB TRP A 7 -7.403 5.466 1.016 1.00 24.55 C ATOM 93 CG TRP A 7 -8.609 4.579 0.955 1.00 23.32 C ATOM 94 CD1 TRP A 7 -9.728 4.769 0.195 1.00 3.21 C ATOM 95 CD2 TRP A 7 -8.818 3.364 1.684 1.00 31.02 C ATOM 96 NE1 TRP A 7 -10.620 3.745 0.409 1.00 61.41 N ATOM 97 CE2 TRP A 7 -10.085 2.870 1.316 1.00 42.42 C ATOM 98 CE3 TRP A 7 -8.057 2.645 2.609 1.00 11.24 C ATOM 99 CZ2 TRP A 7 -10.606 1.692 1.844 1.00 23.43 C ATOM 100 CZ3 TRP A 7 -8.576 1.475 3.132 1.00 4.10 C ATOM 101 CH2 TRP A 7 -9.839 1.008 2.748 1.00 15.02 C ATOM 0 H TRP A 7 -8.313 7.832 1.362 1.00 5.23 H new ATOM 0 HA TRP A 7 -7.594 5.624 3.151 1.00 22.31 H new ATOM 0 HB2 TRP A 7 -7.428 6.159 0.175 1.00 24.55 H new ATOM 0 HB3 TRP A 7 -6.507 4.857 0.901 1.00 24.55 H new ATOM 0 HD1 TRP A 7 -9.888 5.601 -0.475 1.00 3.21 H new ATOM 0 HE1 TRP A 7 -11.533 3.652 -0.036 1.00 61.41 H new ATOM 0 HE3 TRP A 7 -7.081 2.997 2.910 1.00 11.24 H new ATOM 0 HZ2 TRP A 7 -11.581 1.331 1.551 1.00 23.43 H new ATOM 0 HZ3 TRP A 7 -7.997 0.912 3.849 1.00 4.10 H new ATOM 0 HH2 TRP A 7 -10.215 0.090 3.174 1.00 15.02 H new ATOM 111 N TYR A 8 -5.658 8.029 2.566 1.00 41.02 N ATOM 112 CA TYR A 8 -4.329 8.591 2.769 1.00 2.31 C ATOM 113 C TYR A 8 -4.237 9.301 4.117 1.00 51.33 C ATOM 114 O TYR A 8 -4.828 10.363 4.314 1.00 54.41 O ATOM 115 CB TYR A 8 -3.987 9.566 1.642 1.00 42.14 C ATOM 116 CG TYR A 8 -2.718 10.353 1.885 1.00 33.31 C ATOM 117 CD1 TYR A 8 -1.583 9.736 2.398 1.00 51.24 C ATOM 118 CD2 TYR A 8 -2.655 11.712 1.604 1.00 71.22 C ATOM 119 CE1 TYR A 8 -0.422 10.451 2.622 1.00 11.12 C ATOM 120 CE2 TYR A 8 -1.498 12.434 1.823 1.00 1.11 C ATOM 121 CZ TYR A 8 -0.385 11.799 2.334 1.00 73.14 C ATOM 122 OH TYR A 8 0.769 12.515 2.555 1.00 40.34 O ATOM 0 H TYR A 8 -6.396 8.723 2.449 1.00 41.02 H new ATOM 0 HA TYR A 8 -3.611 7.771 2.761 1.00 2.31 H new ATOM 0 HB2 TYR A 8 -3.887 9.010 0.710 1.00 42.14 H new ATOM 0 HB3 TYR A 8 -4.816 10.261 1.511 1.00 42.14 H new ATOM 0 HD1 TYR A 8 -1.609 8.680 2.625 1.00 51.24 H new ATOM 0 HD2 TYR A 8 -3.526 12.213 1.207 1.00 71.22 H new ATOM 0 HE1 TYR A 8 0.452 9.957 3.020 1.00 11.12 H new ATOM 0 HE2 TYR A 8 -1.465 13.489 1.596 1.00 1.11 H new ATOM 0 HH TYR A 8 0.628 13.450 2.299 1.00 40.34 H new ATOM 131 N LYS A 9 -3.490 8.708 5.041 1.00 11.24 N ATOM 132 CA LYS A 9 -3.318 9.281 6.370 1.00 42.22 C ATOM 133 C LYS A 9 -1.883 9.105 6.857 1.00 64.20 C ATOM 134 O LYS A 9 -1.431 7.995 7.144 1.00 53.53 O ATOM 135 CB LYS A 9 -4.287 8.631 7.360 1.00 55.22 C ATOM 136 CG LYS A 9 -5.742 8.991 7.112 1.00 42.01 C ATOM 137 CD LYS A 9 -6.045 10.415 7.545 1.00 50.11 C ATOM 138 CE LYS A 9 -7.038 10.448 8.696 1.00 3.31 C ATOM 139 NZ LYS A 9 -6.477 9.832 9.931 1.00 63.21 N ATOM 0 H LYS A 9 -2.993 7.829 4.894 1.00 11.24 H new ATOM 0 HA LYS A 9 -3.534 10.347 6.308 1.00 42.22 H new ATOM 0 HB2 LYS A 9 -4.175 7.548 7.307 1.00 55.22 H new ATOM 0 HB3 LYS A 9 -4.015 8.931 8.372 1.00 55.22 H new ATOM 0 HG2 LYS A 9 -5.971 8.875 6.053 1.00 42.01 H new ATOM 0 HG3 LYS A 9 -6.387 8.300 7.655 1.00 42.01 H new ATOM 0 HD2 LYS A 9 -5.121 10.909 7.846 1.00 50.11 H new ATOM 0 HD3 LYS A 9 -6.446 10.976 6.701 1.00 50.11 H new ATOM 0 HE2 LYS A 9 -7.321 11.480 8.902 1.00 3.31 H new ATOM 0 HE3 LYS A 9 -7.946 9.920 8.407 1.00 3.31 H new ATOM 0 HZ1 LYS A 9 -7.165 9.920 10.706 1.00 63.21 H new ATOM 0 HZ2 LYS A 9 -6.277 8.826 9.757 1.00 63.21 H new ATOM 0 HZ3 LYS A 9 -5.597 10.320 10.193 1.00 63.21 H new ATOM 149 N PRO A 10 -1.148 10.222 6.955 1.00 41.11 N ATOM 150 CA PRO A 10 0.246 10.216 7.410 1.00 50.34 C ATOM 151 C PRO A 10 0.370 9.888 8.893 1.00 20.10 C ATOM 152 O PRO A 10 1.317 9.222 9.315 1.00 34.11 O ATOM 153 CB PRO A 10 0.713 11.649 7.139 1.00 73.51 C ATOM 154 CG PRO A 10 -0.532 12.466 7.166 1.00 10.22 C ATOM 155 CD PRO A 10 -1.621 11.578 6.630 1.00 41.35 C ATOM 0 HA PRO A 10 0.838 9.456 6.900 1.00 50.34 H new ATOM 0 HB2 PRO A 10 1.422 11.984 7.896 1.00 73.51 H new ATOM 0 HB3 PRO A 10 1.216 11.726 6.175 1.00 73.51 H new ATOM 0 HG2 PRO A 10 -0.761 12.796 8.179 1.00 10.22 H new ATOM 0 HG3 PRO A 10 -0.424 13.363 6.556 1.00 10.22 H new ATOM 0 HD2 PRO A 10 -2.581 11.792 7.100 1.00 41.35 H new ATOM 0 HD3 PRO A 10 -1.755 11.710 5.556 1.00 41.35 H new ATOM 160 N HIS A 11 -0.591 10.357 9.682 1.00 44.24 N ATOM 161 CA HIS A 11 -0.589 10.113 11.120 1.00 31.12 C ATOM 162 C HIS A 11 -0.990 8.672 11.425 1.00 50.34 C ATOM 163 O HIS A 11 -0.923 8.229 12.573 1.00 34.12 O ATOM 164 CB HIS A 11 -1.541 11.080 11.825 1.00 12.24 C ATOM 165 CG HIS A 11 -1.135 11.401 13.230 1.00 1.53 C ATOM 166 ND1 HIS A 11 -0.711 12.653 13.624 1.00 73.42 N ATOM 167 CD2 HIS A 11 -1.092 10.625 14.338 1.00 24.21 C ATOM 168 CE1 HIS A 11 -0.423 12.633 14.913 1.00 31.41 C ATOM 169 NE2 HIS A 11 -0.646 11.414 15.370 1.00 24.42 N ATOM 0 H HIS A 11 -1.382 10.909 9.350 1.00 44.24 H new ATOM 0 HA HIS A 11 0.423 10.278 11.491 1.00 31.12 H new ATOM 0 HB2 HIS A 11 -1.597 12.005 11.251 1.00 12.24 H new ATOM 0 HB3 HIS A 11 -2.542 10.649 11.834 1.00 12.24 H new ATOM 0 HD2 HIS A 11 -1.359 9.580 14.399 1.00 24.21 H new ATOM 0 HE1 HIS A 11 -0.066 13.470 15.494 1.00 31.41 H new ATOM 0 HE2 HIS A 11 -0.509 11.108 16.333 1.00 24.42 H new ATOM 176 N LEU A 12 -1.406 7.948 10.393 1.00 1.22 N ATOM 177 CA LEU A 12 -1.818 6.557 10.551 1.00 55.20 C ATOM 178 C LEU A 12 -0.616 5.660 10.825 1.00 34.41 C ATOM 179 O LEU A 12 0.475 5.893 10.305 1.00 35.42 O ATOM 180 CB LEU A 12 -2.554 6.077 9.298 1.00 21.04 C ATOM 181 CG LEU A 12 -3.681 5.069 9.526 1.00 50.53 C ATOM 182 CD1 LEU A 12 -4.752 5.661 10.430 1.00 64.04 C ATOM 183 CD2 LEU A 12 -4.282 4.633 8.199 1.00 33.31 C ATOM 0 H LEU A 12 -1.467 8.300 9.438 1.00 1.22 H new ATOM 0 HA LEU A 12 -2.492 6.498 11.405 1.00 55.20 H new ATOM 0 HB2 LEU A 12 -2.969 6.947 8.789 1.00 21.04 H new ATOM 0 HB3 LEU A 12 -1.825 5.630 8.622 1.00 21.04 H new ATOM 0 HG LEU A 12 -3.264 4.191 10.019 1.00 50.53 H new ATOM 0 HD11 LEU A 12 -5.546 4.929 10.581 1.00 64.04 H new ATOM 0 HD12 LEU A 12 -4.312 5.923 11.392 1.00 64.04 H new ATOM 0 HD13 LEU A 12 -5.167 6.556 9.965 1.00 64.04 H new ATOM 0 HD21 LEU A 12 -5.082 3.916 8.380 1.00 33.31 H new ATOM 0 HD22 LEU A 12 -4.685 5.502 7.679 1.00 33.31 H new ATOM 0 HD23 LEU A 12 -3.510 4.168 7.585 1.00 33.31 H new ATOM 194 N SER A 13 -0.824 4.633 11.642 1.00 61.01 N ATOM 195 CA SER A 13 0.244 3.701 11.985 1.00 3.11 C ATOM 196 C SER A 13 0.151 2.432 11.142 1.00 61.05 C ATOM 197 O SER A 13 -0.903 2.119 10.589 1.00 11.32 O ATOM 198 CB SER A 13 0.181 3.345 13.471 1.00 15.44 C ATOM 199 OG SER A 13 -0.732 4.184 14.159 1.00 33.01 O ATOM 0 H SER A 13 -1.722 4.425 12.079 1.00 61.01 H new ATOM 0 HA SER A 13 1.197 4.187 11.775 1.00 3.11 H new ATOM 0 HB2 SER A 13 -0.120 2.304 13.586 1.00 15.44 H new ATOM 0 HB3 SER A 13 1.172 3.441 13.913 1.00 15.44 H new ATOM 0 HG SER A 13 -0.755 3.935 15.107 1.00 33.01 H new ATOM 204 N ARG A 14 1.261 1.709 11.049 1.00 31.15 N ATOM 205 CA ARG A 14 1.306 0.475 10.273 1.00 44.31 C ATOM 206 C ARG A 14 0.253 -0.515 10.763 1.00 65.31 C ATOM 207 O ARG A 14 -0.499 -1.081 9.970 1.00 41.54 O ATOM 208 CB ARG A 14 2.696 -0.158 10.360 1.00 41.41 C ATOM 209 CG ARG A 14 2.849 -1.412 9.516 1.00 42.23 C ATOM 210 CD ARG A 14 3.657 -2.477 10.240 1.00 43.41 C ATOM 211 NE ARG A 14 4.760 -2.976 9.424 1.00 22.34 N ATOM 212 CZ ARG A 14 5.837 -2.258 9.125 1.00 33.30 C ATOM 213 NH1 ARG A 14 5.955 -1.015 9.573 1.00 32.01 N ATOM 214 NH2 ARG A 14 6.799 -2.783 8.377 1.00 64.43 N ATOM 0 H ARG A 14 2.142 1.956 11.501 1.00 31.15 H new ATOM 0 HA ARG A 14 1.091 0.722 9.233 1.00 44.31 H new ATOM 0 HB2 ARG A 14 3.440 0.574 10.045 1.00 41.41 H new ATOM 0 HB3 ARG A 14 2.910 -0.402 11.400 1.00 41.41 H new ATOM 0 HG2 ARG A 14 1.864 -1.807 9.268 1.00 42.23 H new ATOM 0 HG3 ARG A 14 3.338 -1.161 8.575 1.00 42.23 H new ATOM 0 HD2 ARG A 14 4.051 -2.064 11.169 1.00 43.41 H new ATOM 0 HD3 ARG A 14 3.003 -3.306 10.512 1.00 43.41 H new ATOM 0 HE ARG A 14 4.700 -3.928 9.064 1.00 22.34 H new ATOM 0 HH11 ARG A 14 5.218 -0.608 10.149 1.00 32.01 H new ATOM 0 HH12 ARG A 14 6.783 -0.466 9.342 1.00 32.01 H new ATOM 0 HH21 ARG A 14 6.712 -3.739 8.031 1.00 64.43 H new ATOM 0 HH22 ARG A 14 7.626 -2.231 8.148 1.00 64.43 H new ATOM 225 N ASP A 15 0.207 -0.719 12.075 1.00 71.20 N ATOM 226 CA ASP A 15 -0.754 -1.639 12.671 1.00 0.55 C ATOM 227 C ASP A 15 -2.182 -1.252 12.301 1.00 41.24 C ATOM 228 O ASP A 15 -3.006 -2.109 11.986 1.00 12.14 O ATOM 229 CB ASP A 15 -0.596 -1.660 14.193 1.00 54.31 C ATOM 230 CG ASP A 15 -0.951 -3.005 14.794 1.00 32.03 C ATOM 231 OD1 ASP A 15 -0.631 -4.038 14.169 1.00 54.02 O ATOM 232 OD2 ASP A 15 -1.547 -3.026 15.892 1.00 34.33 O ATOM 0 H ASP A 15 0.824 -0.260 12.745 1.00 71.20 H new ATOM 0 HA ASP A 15 -0.555 -2.636 12.278 1.00 0.55 H new ATOM 0 HB2 ASP A 15 0.433 -1.410 14.452 1.00 54.31 H new ATOM 0 HB3 ASP A 15 -1.231 -0.890 14.632 1.00 54.31 H new ATOM 236 N GLN A 16 -2.466 0.047 12.343 1.00 54.23 N ATOM 237 CA GLN A 16 -3.795 0.548 12.013 1.00 11.02 C ATOM 238 C GLN A 16 -4.147 0.244 10.560 1.00 63.42 C ATOM 239 O GLN A 16 -5.273 -0.141 10.251 1.00 12.33 O ATOM 240 CB GLN A 16 -3.872 2.055 12.264 1.00 32.13 C ATOM 241 CG GLN A 16 -4.313 2.415 13.674 1.00 73.32 C ATOM 242 CD GLN A 16 -5.805 2.242 13.880 1.00 45.32 C ATOM 243 OE1 GLN A 16 -6.322 1.125 13.853 1.00 73.42 O ATOM 244 NE2 GLN A 16 -6.505 3.350 14.091 1.00 73.14 N ATOM 0 H GLN A 16 -1.794 0.770 12.602 1.00 54.23 H new ATOM 0 HA GLN A 16 -4.516 0.042 12.656 1.00 11.02 H new ATOM 0 HB2 GLN A 16 -2.894 2.497 12.074 1.00 32.13 H new ATOM 0 HB3 GLN A 16 -4.566 2.499 11.551 1.00 32.13 H new ATOM 0 HG2 GLN A 16 -3.776 1.791 14.389 1.00 73.32 H new ATOM 0 HG3 GLN A 16 -4.038 3.449 13.884 1.00 73.32 H new ATOM 0 HE21 GLN A 16 -6.035 4.255 14.105 1.00 73.14 H new ATOM 0 HE22 GLN A 16 -7.513 3.296 14.239 1.00 73.14 H new ATOM 251 N ALA A 17 -3.173 0.421 9.672 1.00 53.44 N ATOM 252 CA ALA A 17 -3.379 0.165 8.252 1.00 53.43 C ATOM 253 C ALA A 17 -3.669 -1.310 7.997 1.00 74.30 C ATOM 254 O ALA A 17 -4.522 -1.652 7.178 1.00 71.13 O ATOM 255 CB ALA A 17 -2.164 0.613 7.453 1.00 14.00 C ATOM 0 H ALA A 17 -2.234 0.740 9.911 1.00 53.44 H new ATOM 0 HA ALA A 17 -4.246 0.740 7.926 1.00 53.43 H new ATOM 0 HB1 ALA A 17 -2.332 0.416 6.394 1.00 14.00 H new ATOM 0 HB2 ALA A 17 -2.004 1.681 7.602 1.00 14.00 H new ATOM 0 HB3 ALA A 17 -1.285 0.064 7.789 1.00 14.00 H new ATOM 261 N ILE A 18 -2.953 -2.179 8.702 1.00 31.42 N ATOM 262 CA ILE A 18 -3.134 -3.618 8.552 1.00 60.22 C ATOM 263 C ILE A 18 -4.516 -4.051 9.028 1.00 12.11 C ATOM 264 O ILE A 18 -5.172 -4.876 8.393 1.00 22.21 O ATOM 265 CB ILE A 18 -2.064 -4.404 9.332 1.00 3.50 C ATOM 266 CG1 ILE A 18 -0.664 -4.024 8.846 1.00 21.14 C ATOM 267 CG2 ILE A 18 -2.294 -5.901 9.184 1.00 45.00 C ATOM 268 CD1 ILE A 18 0.430 -4.349 9.839 1.00 74.40 C ATOM 0 H ILE A 18 -2.242 -1.912 9.383 1.00 31.42 H new ATOM 0 HA ILE A 18 -3.033 -3.840 7.490 1.00 60.22 H new ATOM 0 HB ILE A 18 -2.143 -4.146 10.388 1.00 3.50 H new ATOM 0 HG12 ILE A 18 -0.460 -4.544 7.910 1.00 21.14 H new ATOM 0 HG13 ILE A 18 -0.641 -2.956 8.629 1.00 21.14 H new ATOM 0 HG21 ILE A 18 -1.530 -6.443 9.741 1.00 45.00 H new ATOM 0 HG22 ILE A 18 -3.279 -6.158 9.574 1.00 45.00 H new ATOM 0 HG23 ILE A 18 -2.239 -6.175 8.131 1.00 45.00 H new ATOM 0 HD11 ILE A 18 1.395 -4.052 9.427 1.00 74.40 H new ATOM 0 HD12 ILE A 18 0.250 -3.808 10.768 1.00 74.40 H new ATOM 0 HD13 ILE A 18 0.434 -5.421 10.038 1.00 74.40 H new ATOM 279 N ALA A 19 -4.953 -3.487 10.150 1.00 0.02 N ATOM 280 CA ALA A 19 -6.258 -3.812 10.710 1.00 75.20 C ATOM 281 C ALA A 19 -7.382 -3.314 9.806 1.00 42.41 C ATOM 282 O ALA A 19 -8.417 -3.968 9.669 1.00 73.23 O ATOM 283 CB ALA A 19 -6.397 -3.218 12.104 1.00 34.42 C ATOM 0 H ALA A 19 -4.422 -2.803 10.688 1.00 0.02 H new ATOM 0 HA ALA A 19 -6.336 -4.897 10.780 1.00 75.20 H new ATOM 0 HB1 ALA A 19 -7.377 -3.469 12.510 1.00 34.42 H new ATOM 0 HB2 ALA A 19 -5.621 -3.625 12.752 1.00 34.42 H new ATOM 0 HB3 ALA A 19 -6.293 -2.134 12.050 1.00 34.42 H new ATOM 289 N LEU A 20 -7.173 -2.153 9.195 1.00 23.25 N ATOM 290 CA LEU A 20 -8.169 -1.567 8.306 1.00 74.23 C ATOM 291 C LEU A 20 -8.242 -2.335 6.989 1.00 22.11 C ATOM 292 O LEU A 20 -9.299 -2.414 6.362 1.00 12.44 O ATOM 293 CB LEU A 20 -7.839 -0.098 8.035 1.00 10.22 C ATOM 294 CG LEU A 20 -9.014 0.877 8.103 1.00 41.45 C ATOM 295 CD1 LEU A 20 -8.526 2.277 8.444 1.00 53.11 C ATOM 296 CD2 LEU A 20 -9.780 0.883 6.788 1.00 42.20 C ATOM 0 H LEU A 20 -6.323 -1.599 9.299 1.00 23.25 H new ATOM 0 HA LEU A 20 -9.140 -1.630 8.797 1.00 74.23 H new ATOM 0 HB2 LEU A 20 -7.085 0.223 8.753 1.00 10.22 H new ATOM 0 HB3 LEU A 20 -7.388 -0.024 7.045 1.00 10.22 H new ATOM 0 HG LEU A 20 -9.690 0.547 8.892 1.00 41.45 H new ATOM 0 HD11 LEU A 20 -9.376 2.958 8.488 1.00 53.11 H new ATOM 0 HD12 LEU A 20 -8.023 2.262 9.411 1.00 53.11 H new ATOM 0 HD13 LEU A 20 -7.829 2.616 7.678 1.00 53.11 H new ATOM 0 HD21 LEU A 20 -10.613 1.583 6.855 1.00 42.20 H new ATOM 0 HD22 LEU A 20 -9.114 1.188 5.981 1.00 42.20 H new ATOM 0 HD23 LEU A 20 -10.162 -0.117 6.585 1.00 42.20 H new ATOM 307 N LEU A 21 -7.112 -2.899 6.576 1.00 34.12 N ATOM 308 CA LEU A 21 -7.048 -3.663 5.334 1.00 50.43 C ATOM 309 C LEU A 21 -7.678 -5.041 5.510 1.00 51.11 C ATOM 310 O LEU A 21 -8.388 -5.528 4.629 1.00 12.31 O ATOM 311 CB LEU A 21 -5.596 -3.808 4.876 1.00 44.30 C ATOM 312 CG LEU A 21 -5.050 -2.673 4.008 1.00 33.02 C ATOM 313 CD1 LEU A 21 -3.580 -2.903 3.694 1.00 73.32 C ATOM 314 CD2 LEU A 21 -5.858 -2.546 2.726 1.00 14.31 C ATOM 0 H LEU A 21 -6.228 -2.842 7.082 1.00 34.12 H new ATOM 0 HA LEU A 21 -7.610 -3.121 4.573 1.00 50.43 H new ATOM 0 HB2 LEU A 21 -4.964 -3.899 5.760 1.00 44.30 H new ATOM 0 HB3 LEU A 21 -5.503 -4.741 4.320 1.00 44.30 H new ATOM 0 HG LEU A 21 -5.140 -1.740 4.564 1.00 33.02 H new ATOM 0 HD11 LEU A 21 -3.208 -2.086 3.076 1.00 73.32 H new ATOM 0 HD12 LEU A 21 -3.011 -2.943 4.623 1.00 73.32 H new ATOM 0 HD13 LEU A 21 -3.466 -3.845 3.158 1.00 73.32 H new ATOM 0 HD21 LEU A 21 -5.455 -1.734 2.121 1.00 14.31 H new ATOM 0 HD22 LEU A 21 -5.800 -3.479 2.165 1.00 14.31 H new ATOM 0 HD23 LEU A 21 -6.899 -2.334 2.971 1.00 14.31 H new ATOM 325 N LYS A 22 -7.415 -5.665 6.653 1.00 0.11 N ATOM 326 CA LYS A 22 -7.958 -6.986 6.947 1.00 61.24 C ATOM 327 C LYS A 22 -9.449 -6.904 7.258 1.00 72.12 C ATOM 328 O LYS A 22 -10.144 -7.920 7.287 1.00 62.42 O ATOM 329 CB LYS A 22 -7.214 -7.615 8.127 1.00 43.53 C ATOM 330 CG LYS A 22 -7.600 -7.025 9.473 1.00 42.30 C ATOM 331 CD LYS A 22 -6.871 -7.715 10.614 1.00 33.11 C ATOM 332 CE LYS A 22 -7.721 -7.759 11.874 1.00 51.44 C ATOM 333 NZ LYS A 22 -7.647 -6.483 12.638 1.00 54.12 N ATOM 0 H LYS A 22 -6.829 -5.277 7.392 1.00 0.11 H new ATOM 0 HA LYS A 22 -7.822 -7.612 6.065 1.00 61.24 H new ATOM 0 HB2 LYS A 22 -7.410 -8.687 8.140 1.00 43.53 H new ATOM 0 HB3 LYS A 22 -6.142 -7.489 7.978 1.00 43.53 H new ATOM 0 HG2 LYS A 22 -7.369 -5.960 9.484 1.00 42.30 H new ATOM 0 HG3 LYS A 22 -8.676 -7.120 9.618 1.00 42.30 H new ATOM 0 HD2 LYS A 22 -6.606 -8.730 10.317 1.00 33.11 H new ATOM 0 HD3 LYS A 22 -5.938 -7.190 10.821 1.00 33.11 H new ATOM 0 HE2 LYS A 22 -8.758 -7.962 11.606 1.00 51.44 H new ATOM 0 HE3 LYS A 22 -7.389 -8.581 12.508 1.00 51.44 H new ATOM 0 HZ1 LYS A 22 -8.240 -6.553 13.490 1.00 54.12 H new ATOM 0 HZ2 LYS A 22 -6.661 -6.302 12.916 1.00 54.12 H new ATOM 0 HZ3 LYS A 22 -7.988 -5.702 12.042 1.00 54.12 H new ATOM 343 N ASP A 23 -9.935 -5.689 7.488 1.00 31.33 N ATOM 344 CA ASP A 23 -11.345 -5.475 7.794 1.00 71.43 C ATOM 345 C ASP A 23 -12.052 -4.776 6.637 1.00 71.24 C ATOM 346 O ASP A 23 -13.219 -4.400 6.745 1.00 52.15 O ATOM 347 CB ASP A 23 -11.491 -4.648 9.072 1.00 14.15 C ATOM 348 CG ASP A 23 -12.698 -5.059 9.893 1.00 13.31 C ATOM 349 OD1 ASP A 23 -12.607 -6.076 10.613 1.00 71.33 O ATOM 350 OD2 ASP A 23 -13.734 -4.366 9.815 1.00 24.22 O ATOM 0 H ASP A 23 -9.374 -4.838 7.468 1.00 31.33 H new ATOM 0 HA ASP A 23 -11.811 -6.449 7.945 1.00 71.43 H new ATOM 0 HB2 ASP A 23 -10.590 -4.756 9.676 1.00 14.15 H new ATOM 0 HB3 ASP A 23 -11.575 -3.593 8.811 1.00 14.15 H new ATOM 354 N LYS A 24 -11.337 -4.603 5.531 1.00 64.12 N ATOM 355 CA LYS A 24 -11.894 -3.949 4.352 1.00 25.04 C ATOM 356 C LYS A 24 -11.901 -4.896 3.157 1.00 32.01 C ATOM 357 O LYS A 24 -11.250 -5.941 3.177 1.00 52.21 O ATOM 358 CB LYS A 24 -11.092 -2.690 4.016 1.00 61.32 C ATOM 359 CG LYS A 24 -11.538 -1.460 4.786 1.00 1.12 C ATOM 360 CD LYS A 24 -12.650 -0.720 4.061 1.00 64.12 C ATOM 361 CE LYS A 24 -13.031 0.562 4.786 1.00 31.12 C ATOM 362 NZ LYS A 24 -13.515 1.608 3.845 1.00 72.45 N ATOM 0 H LYS A 24 -10.369 -4.907 5.426 1.00 64.12 H new ATOM 0 HA LYS A 24 -12.923 -3.667 4.575 1.00 25.04 H new ATOM 0 HB2 LYS A 24 -10.038 -2.875 4.223 1.00 61.32 H new ATOM 0 HB3 LYS A 24 -11.177 -2.490 2.948 1.00 61.32 H new ATOM 0 HG2 LYS A 24 -11.882 -1.755 5.777 1.00 1.12 H new ATOM 0 HG3 LYS A 24 -10.689 -0.792 4.930 1.00 1.12 H new ATOM 0 HD2 LYS A 24 -12.330 -0.484 3.046 1.00 64.12 H new ATOM 0 HD3 LYS A 24 -13.524 -1.366 3.978 1.00 64.12 H new ATOM 0 HE2 LYS A 24 -13.807 0.347 5.520 1.00 31.12 H new ATOM 0 HE3 LYS A 24 -12.168 0.939 5.335 1.00 31.12 H new ATOM 0 HZ1 LYS A 24 -13.732 2.477 4.374 1.00 72.45 H new ATOM 0 HZ2 LYS A 24 -12.778 1.808 3.139 1.00 72.45 H new ATOM 0 HZ3 LYS A 24 -14.373 1.272 3.364 1.00 72.45 H new ATOM 372 N ASP A 25 -12.638 -4.523 2.117 1.00 50.13 N ATOM 373 CA ASP A 25 -12.726 -5.338 0.911 1.00 53.01 C ATOM 374 C ASP A 25 -11.345 -5.572 0.310 1.00 24.31 C ATOM 375 O ASP A 25 -10.405 -4.809 0.536 1.00 22.55 O ATOM 376 CB ASP A 25 -13.636 -4.665 -0.119 1.00 32.32 C ATOM 377 CG ASP A 25 -13.381 -3.176 -0.231 1.00 44.44 C ATOM 378 OD1 ASP A 25 -12.274 -2.793 -0.667 1.00 15.04 O ATOM 379 OD2 ASP A 25 -14.287 -2.390 0.118 1.00 51.35 O ATOM 0 H ASP A 25 -13.183 -3.662 2.085 1.00 50.13 H new ATOM 0 HA ASP A 25 -13.151 -6.304 1.186 1.00 53.01 H new ATOM 0 HB2 ASP A 25 -13.484 -5.131 -1.093 1.00 32.32 H new ATOM 0 HB3 ASP A 25 -14.677 -4.833 0.156 1.00 32.32 H new ATOM 383 N PRO A 26 -11.214 -6.654 -0.472 1.00 12.31 N ATOM 384 CA PRO A 26 -9.950 -7.015 -1.120 1.00 63.43 C ATOM 385 C PRO A 26 -9.572 -6.044 -2.234 1.00 5.31 C ATOM 386 O PRO A 26 -10.438 -5.477 -2.897 1.00 33.31 O ATOM 387 CB PRO A 26 -10.231 -8.405 -1.697 1.00 3.12 C ATOM 388 CG PRO A 26 -11.708 -8.444 -1.889 1.00 30.33 C ATOM 389 CD PRO A 26 -12.292 -7.609 -0.783 1.00 61.45 C ATOM 0 HA PRO A 26 -9.113 -6.989 -0.422 1.00 63.43 H new ATOM 0 HB2 PRO A 26 -9.705 -8.556 -2.640 1.00 3.12 H new ATOM 0 HB3 PRO A 26 -9.899 -9.190 -1.018 1.00 3.12 H new ATOM 0 HG2 PRO A 26 -11.985 -8.047 -2.866 1.00 30.33 H new ATOM 0 HG3 PRO A 26 -12.080 -9.467 -1.844 1.00 30.33 H new ATOM 0 HD2 PRO A 26 -13.201 -7.099 -1.101 1.00 61.45 H new ATOM 0 HD3 PRO A 26 -12.554 -8.216 0.084 1.00 61.45 H new ATOM 394 N GLY A 27 -8.271 -5.857 -2.432 1.00 64.50 N ATOM 395 CA GLY A 27 -7.800 -4.953 -3.465 1.00 75.22 C ATOM 396 C GLY A 27 -7.611 -3.538 -2.958 1.00 4.40 C ATOM 397 O GLY A 27 -6.949 -2.723 -3.600 1.00 35.12 O ATOM 0 H GLY A 27 -7.535 -6.315 -1.895 1.00 64.50 H new ATOM 0 HA2 GLY A 27 -6.854 -5.322 -3.862 1.00 75.22 H new ATOM 0 HA3 GLY A 27 -8.512 -4.947 -4.290 1.00 75.22 H new ATOM 401 N ALA A 28 -8.196 -3.243 -1.801 1.00 60.22 N ATOM 402 CA ALA A 28 -8.089 -1.917 -1.207 1.00 3.21 C ATOM 403 C ALA A 28 -6.678 -1.659 -0.690 1.00 64.43 C ATOM 404 O ALA A 28 -5.976 -2.585 -0.281 1.00 54.25 O ATOM 405 CB ALA A 28 -9.101 -1.758 -0.082 1.00 34.35 C ATOM 0 H ALA A 28 -8.749 -3.905 -1.257 1.00 60.22 H new ATOM 0 HA ALA A 28 -8.305 -1.182 -1.982 1.00 3.21 H new ATOM 0 HB1 ALA A 28 -9.009 -0.762 0.352 1.00 34.35 H new ATOM 0 HB2 ALA A 28 -10.108 -1.890 -0.477 1.00 34.35 H new ATOM 0 HB3 ALA A 28 -8.912 -2.508 0.686 1.00 34.35 H new ATOM 411 N PHE A 29 -6.265 -0.395 -0.714 1.00 0.05 N ATOM 412 CA PHE A 29 -4.936 -0.016 -0.249 1.00 23.14 C ATOM 413 C PHE A 29 -5.000 1.239 0.617 1.00 31.41 C ATOM 414 O PHE A 29 -6.027 1.917 0.673 1.00 73.52 O ATOM 415 CB PHE A 29 -4.004 0.218 -1.440 1.00 52.22 C ATOM 416 CG PHE A 29 -4.252 1.520 -2.147 1.00 4.30 C ATOM 417 CD1 PHE A 29 -5.453 1.755 -2.796 1.00 3.44 C ATOM 418 CD2 PHE A 29 -3.282 2.511 -2.162 1.00 11.22 C ATOM 419 CE1 PHE A 29 -5.684 2.952 -3.447 1.00 4.05 C ATOM 420 CE2 PHE A 29 -3.507 3.709 -2.811 1.00 40.25 C ATOM 421 CZ PHE A 29 -4.709 3.930 -3.455 1.00 61.14 C ATOM 0 H PHE A 29 -6.832 0.383 -1.051 1.00 0.05 H new ATOM 0 HA PHE A 29 -4.543 -0.833 0.356 1.00 23.14 H new ATOM 0 HB2 PHE A 29 -2.971 0.193 -1.093 1.00 52.22 H new ATOM 0 HB3 PHE A 29 -4.122 -0.600 -2.150 1.00 52.22 H new ATOM 0 HD1 PHE A 29 -6.219 0.993 -2.793 1.00 3.44 H new ATOM 0 HD2 PHE A 29 -2.340 2.344 -1.661 1.00 11.22 H new ATOM 0 HE1 PHE A 29 -6.625 3.122 -3.949 1.00 4.05 H new ATOM 0 HE2 PHE A 29 -2.744 4.473 -2.815 1.00 40.25 H new ATOM 0 HZ PHE A 29 -4.886 4.866 -3.964 1.00 61.14 H new ATOM 430 N LEU A 30 -3.896 1.541 1.290 1.00 2.54 N ATOM 431 CA LEU A 30 -3.825 2.715 2.156 1.00 35.21 C ATOM 432 C LEU A 30 -2.403 3.264 2.212 1.00 23.10 C ATOM 433 O LEU A 30 -1.432 2.508 2.157 1.00 53.21 O ATOM 434 CB LEU A 30 -4.305 2.364 3.565 1.00 75.23 C ATOM 435 CG LEU A 30 -4.178 3.471 4.612 1.00 32.20 C ATOM 436 CD1 LEU A 30 -5.490 3.649 5.361 1.00 25.41 C ATOM 437 CD2 LEU A 30 -3.047 3.161 5.581 1.00 65.05 C ATOM 0 H LEU A 30 -3.038 0.991 1.254 1.00 2.54 H new ATOM 0 HA LEU A 30 -4.476 3.484 1.739 1.00 35.21 H new ATOM 0 HB2 LEU A 30 -5.352 2.065 3.507 1.00 75.23 H new ATOM 0 HB3 LEU A 30 -3.744 1.496 3.913 1.00 75.23 H new ATOM 0 HG LEU A 30 -3.945 4.405 4.100 1.00 32.20 H new ATOM 0 HD11 LEU A 30 -5.381 4.441 6.102 1.00 25.41 H new ATOM 0 HD12 LEU A 30 -6.278 3.917 4.657 1.00 25.41 H new ATOM 0 HD13 LEU A 30 -5.753 2.717 5.862 1.00 25.41 H new ATOM 0 HD21 LEU A 30 -2.971 3.959 6.319 1.00 65.05 H new ATOM 0 HD22 LEU A 30 -3.250 2.217 6.087 1.00 65.05 H new ATOM 0 HD23 LEU A 30 -2.108 3.084 5.032 1.00 65.05 H new ATOM 448 N ILE A 31 -2.288 4.582 2.324 1.00 40.13 N ATOM 449 CA ILE A 31 -0.985 5.232 2.391 1.00 50.43 C ATOM 450 C ILE A 31 -0.760 5.873 3.756 1.00 40.44 C ATOM 451 O ILE A 31 -1.676 6.457 4.337 1.00 64.15 O ATOM 452 CB ILE A 31 -0.836 6.309 1.300 1.00 22.20 C ATOM 453 CG1 ILE A 31 -1.021 5.689 -0.087 1.00 5.23 C ATOM 454 CG2 ILE A 31 0.523 6.986 1.406 1.00 12.51 C ATOM 455 CD1 ILE A 31 -1.133 6.712 -1.195 1.00 51.40 C ATOM 0 H ILE A 31 -3.081 5.221 2.370 1.00 40.13 H new ATOM 0 HA ILE A 31 -0.237 4.456 2.229 1.00 50.43 H new ATOM 0 HB ILE A 31 -1.609 7.064 1.447 1.00 22.20 H new ATOM 0 HG12 ILE A 31 -0.179 5.029 -0.296 1.00 5.23 H new ATOM 0 HG13 ILE A 31 -1.918 5.070 -0.083 1.00 5.23 H new ATOM 0 HG21 ILE A 31 0.613 7.745 0.628 1.00 12.51 H new ATOM 0 HG22 ILE A 31 0.620 7.456 2.385 1.00 12.51 H new ATOM 0 HG23 ILE A 31 1.310 6.243 1.281 1.00 12.51 H new ATOM 0 HD11 ILE A 31 -1.262 6.202 -2.150 1.00 51.40 H new ATOM 0 HD12 ILE A 31 -1.992 7.357 -1.009 1.00 51.40 H new ATOM 0 HD13 ILE A 31 -0.226 7.315 -1.226 1.00 51.40 H new ATOM 466 N ARG A 32 0.464 5.762 4.262 1.00 52.53 N ATOM 467 CA ARG A 32 0.809 6.332 5.560 1.00 52.01 C ATOM 468 C ARG A 32 2.232 6.883 5.549 1.00 1.31 C ATOM 469 O ARG A 32 3.023 6.570 4.660 1.00 1.15 O ATOM 470 CB ARG A 32 0.666 5.277 6.658 1.00 24.01 C ATOM 471 CG ARG A 32 1.266 3.929 6.289 1.00 3.20 C ATOM 472 CD ARG A 32 0.191 2.864 6.138 1.00 41.15 C ATOM 473 NE ARG A 32 0.625 1.571 6.661 1.00 53.54 N ATOM 474 CZ ARG A 32 1.398 0.728 5.988 1.00 74.31 C ATOM 475 NH1 ARG A 32 1.822 1.040 4.771 1.00 23.43 N ATOM 476 NH2 ARG A 32 1.750 -0.431 6.532 1.00 42.25 N ATOM 0 H ARG A 32 1.233 5.283 3.794 1.00 52.53 H new ATOM 0 HA ARG A 32 0.122 7.153 5.764 1.00 52.01 H new ATOM 0 HB2 ARG A 32 1.146 5.642 7.566 1.00 24.01 H new ATOM 0 HB3 ARG A 32 -0.391 5.144 6.887 1.00 24.01 H new ATOM 0 HG2 ARG A 32 1.823 4.020 5.356 1.00 3.20 H new ATOM 0 HG3 ARG A 32 1.977 3.624 7.056 1.00 3.20 H new ATOM 0 HD2 ARG A 32 -0.711 3.182 6.661 1.00 41.15 H new ATOM 0 HD3 ARG A 32 -0.071 2.760 5.085 1.00 41.15 H new ATOM 0 HE ARG A 32 0.317 1.301 7.595 1.00 53.54 H new ATOM 0 HH11 ARG A 32 1.554 1.930 4.350 1.00 23.43 H new ATOM 0 HH12 ARG A 32 2.416 0.390 4.256 1.00 23.43 H new ATOM 0 HH21 ARG A 32 1.426 -0.674 7.468 1.00 42.25 H new ATOM 0 HH22 ARG A 32 2.344 -1.078 6.014 1.00 42.25 H new ATOM 487 N ASP A 33 2.549 7.704 6.545 1.00 34.42 N ATOM 488 CA ASP A 33 3.876 8.299 6.651 1.00 22.04 C ATOM 489 C ASP A 33 4.928 7.232 6.940 1.00 74.01 C ATOM 490 O ASP A 33 4.864 6.543 7.958 1.00 73.24 O ATOM 491 CB ASP A 33 3.895 9.362 7.750 1.00 24.33 C ATOM 492 CG ASP A 33 5.212 10.111 7.808 1.00 73.10 C ATOM 493 OD1 ASP A 33 5.934 10.122 6.789 1.00 12.22 O ATOM 494 OD2 ASP A 33 5.520 10.687 8.871 1.00 1.23 O ATOM 0 H ASP A 33 1.906 7.972 7.290 1.00 34.42 H new ATOM 0 HA ASP A 33 4.114 8.770 5.697 1.00 22.04 H new ATOM 0 HB2 ASP A 33 3.084 10.071 7.580 1.00 24.33 H new ATOM 0 HB3 ASP A 33 3.707 8.888 8.713 1.00 24.33 H new ATOM 498 N SER A 34 5.893 7.100 6.036 1.00 30.32 N ATOM 499 CA SER A 34 6.956 6.113 6.191 1.00 72.34 C ATOM 500 C SER A 34 8.092 6.668 7.046 1.00 72.12 C ATOM 501 O SER A 34 9.039 7.263 6.531 1.00 22.13 O ATOM 502 CB SER A 34 7.493 5.691 4.822 1.00 71.15 C ATOM 503 OG SER A 34 8.164 4.446 4.899 1.00 1.23 O ATOM 0 H SER A 34 5.961 7.664 5.189 1.00 30.32 H new ATOM 0 HA SER A 34 6.538 5.241 6.694 1.00 72.34 H new ATOM 0 HB2 SER A 34 6.670 5.621 4.111 1.00 71.15 H new ATOM 0 HB3 SER A 34 8.175 6.453 4.445 1.00 71.15 H new ATOM 0 HG SER A 34 8.496 4.198 4.011 1.00 1.23 H new ATOM 508 N HIS A 35 7.989 6.469 8.356 1.00 11.24 N ATOM 509 CA HIS A 35 9.007 6.948 9.284 1.00 12.34 C ATOM 510 C HIS A 35 10.277 6.110 9.177 1.00 50.14 C ATOM 511 O HIS A 35 11.324 6.481 9.710 1.00 15.22 O ATOM 512 CB HIS A 35 8.477 6.911 10.719 1.00 34.15 C ATOM 513 CG HIS A 35 9.193 7.844 11.646 1.00 41.34 C ATOM 514 ND1 HIS A 35 8.976 9.206 11.658 1.00 0.41 N ATOM 515 CD2 HIS A 35 10.127 7.605 12.597 1.00 73.22 C ATOM 516 CE1 HIS A 35 9.746 9.763 12.576 1.00 41.41 C ATOM 517 NE2 HIS A 35 10.453 8.814 13.160 1.00 31.42 N ATOM 0 H HIS A 35 7.211 5.980 8.799 1.00 11.24 H new ATOM 0 HA HIS A 35 9.249 7.978 9.020 1.00 12.34 H new ATOM 0 HB2 HIS A 35 7.416 7.162 10.712 1.00 34.15 H new ATOM 0 HB3 HIS A 35 8.562 5.894 11.103 1.00 34.15 H new ATOM 0 HD2 HIS A 35 10.539 6.643 12.863 1.00 73.22 H new ATOM 0 HE1 HIS A 35 9.789 10.817 12.809 1.00 41.41 H new ATOM 0 HE2 HIS A 35 11.132 8.956 13.908 1.00 31.42 H new ATOM 524 N SER A 36 10.178 4.980 8.485 1.00 63.42 N ATOM 525 CA SER A 36 11.319 4.087 8.312 1.00 53.13 C ATOM 526 C SER A 36 12.465 4.802 7.601 1.00 53.50 C ATOM 527 O SER A 36 13.486 5.120 8.211 1.00 72.23 O ATOM 528 CB SER A 36 10.905 2.847 7.518 1.00 23.40 C ATOM 529 OG SER A 36 10.386 1.843 8.374 1.00 74.54 O ATOM 0 H SER A 36 9.320 4.661 8.035 1.00 63.42 H new ATOM 0 HA SER A 36 11.663 3.780 9.300 1.00 53.13 H new ATOM 0 HB2 SER A 36 10.155 3.120 6.776 1.00 23.40 H new ATOM 0 HB3 SER A 36 11.765 2.456 6.973 1.00 23.40 H new ATOM 0 HG SER A 36 10.127 1.062 7.842 1.00 74.54 H new ATOM 534 N PHE A 37 12.287 5.051 6.309 1.00 55.22 N ATOM 535 CA PHE A 37 13.305 5.727 5.514 1.00 73.50 C ATOM 536 C PHE A 37 12.912 7.177 5.245 1.00 21.22 C ATOM 537 O PHE A 37 11.729 7.505 5.168 1.00 21.34 O ATOM 538 CB PHE A 37 13.519 4.991 4.189 1.00 23.21 C ATOM 539 CG PHE A 37 14.858 4.316 4.088 1.00 32.20 C ATOM 540 CD1 PHE A 37 15.097 3.121 4.748 1.00 74.03 C ATOM 541 CD2 PHE A 37 15.876 4.875 3.333 1.00 44.33 C ATOM 542 CE1 PHE A 37 16.327 2.498 4.657 1.00 43.22 C ATOM 543 CE2 PHE A 37 17.108 4.257 3.238 1.00 24.12 C ATOM 544 CZ PHE A 37 17.334 3.066 3.900 1.00 43.45 C ATOM 0 H PHE A 37 11.447 4.795 5.790 1.00 55.22 H new ATOM 0 HA PHE A 37 14.236 5.721 6.081 1.00 73.50 H new ATOM 0 HB2 PHE A 37 12.734 4.244 4.066 1.00 23.21 H new ATOM 0 HB3 PHE A 37 13.415 5.700 3.368 1.00 23.21 H new ATOM 0 HD1 PHE A 37 14.313 2.672 5.340 1.00 74.03 H new ATOM 0 HD2 PHE A 37 15.705 5.805 2.812 1.00 44.33 H new ATOM 0 HE1 PHE A 37 16.501 1.568 5.177 1.00 43.22 H new ATOM 0 HE2 PHE A 37 17.893 4.705 2.647 1.00 24.12 H new ATOM 0 HZ PHE A 37 18.296 2.580 3.826 1.00 43.45 H new ATOM 553 N GLN A 38 13.914 8.039 5.104 1.00 22.42 N ATOM 554 CA GLN A 38 13.673 9.453 4.846 1.00 62.42 C ATOM 555 C GLN A 38 13.150 9.667 3.429 1.00 22.21 C ATOM 556 O GLN A 38 13.745 9.196 2.460 1.00 14.41 O ATOM 557 CB GLN A 38 14.959 10.257 5.054 1.00 75.30 C ATOM 558 CG GLN A 38 15.467 10.230 6.486 1.00 64.25 C ATOM 559 CD GLN A 38 14.727 11.200 7.386 1.00 44.01 C ATOM 560 OE1 GLN A 38 13.564 11.524 7.147 1.00 33.32 O ATOM 561 NE2 GLN A 38 15.401 11.670 8.430 1.00 11.31 N ATOM 0 H GLN A 38 14.899 7.783 5.164 1.00 22.42 H new ATOM 0 HA GLN A 38 12.916 9.801 5.549 1.00 62.42 H new ATOM 0 HB2 GLN A 38 15.734 9.865 4.395 1.00 75.30 H new ATOM 0 HB3 GLN A 38 14.783 11.291 4.759 1.00 75.30 H new ATOM 0 HG2 GLN A 38 15.365 9.221 6.885 1.00 64.25 H new ATOM 0 HG3 GLN A 38 16.530 10.471 6.495 1.00 64.25 H new ATOM 0 HE21 GLN A 38 16.364 11.374 8.590 1.00 11.31 H new ATOM 0 HE22 GLN A 38 14.955 12.326 9.071 1.00 11.31 H new ATOM 568 N GLY A 39 12.033 10.380 3.317 1.00 4.10 N ATOM 569 CA GLY A 39 11.449 10.643 2.015 1.00 1.23 C ATOM 570 C GLY A 39 10.815 9.408 1.405 1.00 64.05 C ATOM 571 O GLY A 39 10.963 9.153 0.210 1.00 11.04 O ATOM 0 H GLY A 39 11.523 10.780 4.104 1.00 4.10 H new ATOM 0 HA2 GLY A 39 10.696 11.426 2.109 1.00 1.23 H new ATOM 0 HA3 GLY A 39 12.220 11.021 1.344 1.00 1.23 H new ATOM 575 N ALA A 40 10.108 8.640 2.227 1.00 72.31 N ATOM 576 CA ALA A 40 9.449 7.426 1.761 1.00 64.53 C ATOM 577 C ALA A 40 7.980 7.407 2.166 1.00 45.40 C ATOM 578 O ALA A 40 7.557 8.170 3.036 1.00 10.32 O ATOM 579 CB ALA A 40 10.164 6.196 2.302 1.00 73.04 C ATOM 0 H ALA A 40 9.977 8.837 3.219 1.00 72.31 H new ATOM 0 HA ALA A 40 9.498 7.412 0.672 1.00 64.53 H new ATOM 0 HB1 ALA A 40 9.661 5.297 1.946 1.00 73.04 H new ATOM 0 HB2 ALA A 40 11.198 6.195 1.956 1.00 73.04 H new ATOM 0 HB3 ALA A 40 10.146 6.215 3.392 1.00 73.04 H new ATOM 585 N TYR A 41 7.206 6.534 1.533 1.00 33.25 N ATOM 586 CA TYR A 41 5.782 6.419 1.827 1.00 61.43 C ATOM 587 C TYR A 41 5.383 4.960 2.024 1.00 24.41 C ATOM 588 O TYR A 41 5.737 4.094 1.224 1.00 4.23 O ATOM 589 CB TYR A 41 4.956 7.038 0.698 1.00 61.40 C ATOM 590 CG TYR A 41 4.798 8.537 0.815 1.00 5.20 C ATOM 591 CD1 TYR A 41 5.877 9.387 0.605 1.00 52.20 C ATOM 592 CD2 TYR A 41 3.571 9.104 1.136 1.00 12.34 C ATOM 593 CE1 TYR A 41 5.737 10.758 0.712 1.00 25.52 C ATOM 594 CE2 TYR A 41 3.422 10.472 1.244 1.00 43.12 C ATOM 595 CZ TYR A 41 4.509 11.295 1.031 1.00 11.42 C ATOM 596 OH TYR A 41 4.365 12.660 1.138 1.00 11.22 O ATOM 0 H TYR A 41 7.540 5.895 0.812 1.00 33.25 H new ATOM 0 HA TYR A 41 5.582 6.959 2.752 1.00 61.43 H new ATOM 0 HB2 TYR A 41 5.428 6.804 -0.256 1.00 61.40 H new ATOM 0 HB3 TYR A 41 3.968 6.577 0.687 1.00 61.40 H new ATOM 0 HD1 TYR A 41 6.841 8.970 0.354 1.00 52.20 H new ATOM 0 HD2 TYR A 41 2.718 8.463 1.304 1.00 12.34 H new ATOM 0 HE1 TYR A 41 6.586 11.405 0.546 1.00 25.52 H new ATOM 0 HE2 TYR A 41 2.460 10.896 1.494 1.00 43.12 H new ATOM 0 HH TYR A 41 3.437 12.874 1.368 1.00 11.22 H new ATOM 605 N GLY A 42 4.642 4.695 3.095 1.00 3.40 N ATOM 606 CA GLY A 42 4.204 3.342 3.380 1.00 20.22 C ATOM 607 C GLY A 42 2.936 2.973 2.635 1.00 5.12 C ATOM 608 O GLY A 42 1.882 3.571 2.856 1.00 1.22 O ATOM 0 H GLY A 42 4.337 5.395 3.771 1.00 3.40 H new ATOM 0 HA2 GLY A 42 4.996 2.643 3.111 1.00 20.22 H new ATOM 0 HA3 GLY A 42 4.036 3.236 4.452 1.00 20.22 H new ATOM 612 N LEU A 43 3.038 1.988 1.749 1.00 11.44 N ATOM 613 CA LEU A 43 1.890 1.541 0.968 1.00 54.54 C ATOM 614 C LEU A 43 1.434 0.155 1.413 1.00 53.13 C ATOM 615 O LEU A 43 2.219 -0.792 1.426 1.00 71.34 O ATOM 616 CB LEU A 43 2.237 1.523 -0.521 1.00 64.53 C ATOM 617 CG LEU A 43 1.165 0.960 -1.454 1.00 11.03 C ATOM 618 CD1 LEU A 43 0.224 2.062 -1.915 1.00 20.51 C ATOM 619 CD2 LEU A 43 1.807 0.269 -2.648 1.00 75.14 C ATOM 0 H LEU A 43 3.903 1.484 1.554 1.00 11.44 H new ATOM 0 HA LEU A 43 1.073 2.243 1.136 1.00 54.54 H new ATOM 0 HB2 LEU A 43 2.463 2.543 -0.833 1.00 64.53 H new ATOM 0 HB3 LEU A 43 3.148 0.940 -0.654 1.00 64.53 H new ATOM 0 HG LEU A 43 0.582 0.222 -0.902 1.00 11.03 H new ATOM 0 HD11 LEU A 43 -0.532 1.641 -2.578 1.00 20.51 H new ATOM 0 HD12 LEU A 43 -0.262 2.511 -1.049 1.00 20.51 H new ATOM 0 HD13 LEU A 43 0.791 2.825 -2.449 1.00 20.51 H new ATOM 0 HD21 LEU A 43 1.029 -0.126 -3.302 1.00 75.14 H new ATOM 0 HD22 LEU A 43 2.415 0.986 -3.200 1.00 75.14 H new ATOM 0 HD23 LEU A 43 2.437 -0.549 -2.299 1.00 75.14 H new ATOM 630 N ALA A 44 0.160 0.044 1.774 1.00 2.41 N ATOM 631 CA ALA A 44 -0.401 -1.227 2.214 1.00 2.23 C ATOM 632 C ALA A 44 -1.505 -1.696 1.274 1.00 74.13 C ATOM 633 O ALA A 44 -2.311 -0.895 0.798 1.00 51.43 O ATOM 634 CB ALA A 44 -0.933 -1.105 3.635 1.00 23.21 C ATOM 0 H ALA A 44 -0.503 0.819 1.770 1.00 2.41 H new ATOM 0 HA ALA A 44 0.395 -1.972 2.197 1.00 2.23 H new ATOM 0 HB1 ALA A 44 -1.349 -2.062 3.951 1.00 23.21 H new ATOM 0 HB2 ALA A 44 -0.120 -0.824 4.305 1.00 23.21 H new ATOM 0 HB3 ALA A 44 -1.711 -0.342 3.668 1.00 23.21 H new ATOM 640 N LEU A 45 -1.536 -2.997 1.006 1.00 52.41 N ATOM 641 CA LEU A 45 -2.542 -3.572 0.120 1.00 62.01 C ATOM 642 C LEU A 45 -3.133 -4.844 0.720 1.00 22.00 C ATOM 643 O LEU A 45 -2.421 -5.647 1.324 1.00 3.34 O ATOM 644 CB LEU A 45 -1.930 -3.877 -1.248 1.00 52.33 C ATOM 645 CG LEU A 45 -2.730 -4.822 -2.145 1.00 64.42 C ATOM 646 CD1 LEU A 45 -4.043 -4.178 -2.564 1.00 4.23 C ATOM 647 CD2 LEU A 45 -1.914 -5.215 -3.368 1.00 63.43 C ATOM 0 H LEU A 45 -0.876 -3.673 1.390 1.00 52.41 H new ATOM 0 HA LEU A 45 -3.343 -2.843 -0.001 1.00 62.01 H new ATOM 0 HB2 LEU A 45 -1.790 -2.936 -1.779 1.00 52.33 H new ATOM 0 HB3 LEU A 45 -0.940 -4.306 -1.093 1.00 52.33 H new ATOM 0 HG LEU A 45 -2.956 -5.725 -1.577 1.00 64.42 H new ATOM 0 HD11 LEU A 45 -4.598 -4.866 -3.202 1.00 4.23 H new ATOM 0 HD12 LEU A 45 -4.634 -3.947 -1.678 1.00 4.23 H new ATOM 0 HD13 LEU A 45 -3.839 -3.259 -3.113 1.00 4.23 H new ATOM 0 HD21 LEU A 45 -2.499 -5.888 -3.995 1.00 63.43 H new ATOM 0 HD22 LEU A 45 -1.657 -4.321 -3.936 1.00 63.43 H new ATOM 0 HD23 LEU A 45 -1.001 -5.718 -3.050 1.00 63.43 H new ATOM 658 N LYS A 46 -4.438 -5.023 0.548 1.00 21.00 N ATOM 659 CA LYS A 46 -5.125 -6.199 1.069 1.00 61.21 C ATOM 660 C LYS A 46 -5.361 -7.225 -0.035 1.00 43.14 C ATOM 661 O LYS A 46 -5.829 -6.886 -1.122 1.00 62.44 O ATOM 662 CB LYS A 46 -6.460 -5.797 1.700 1.00 31.21 C ATOM 663 CG LYS A 46 -7.247 -6.971 2.257 1.00 64.33 C ATOM 664 CD LYS A 46 -6.529 -7.615 3.431 1.00 14.13 C ATOM 665 CE LYS A 46 -7.104 -8.988 3.750 1.00 2.30 C ATOM 666 NZ LYS A 46 -8.557 -8.920 4.069 1.00 24.11 N ATOM 0 H LYS A 46 -5.042 -4.368 0.051 1.00 21.00 H new ATOM 0 HA LYS A 46 -4.491 -6.651 1.832 1.00 61.21 H new ATOM 0 HB2 LYS A 46 -6.273 -5.083 2.502 1.00 31.21 H new ATOM 0 HB3 LYS A 46 -7.066 -5.286 0.952 1.00 31.21 H new ATOM 0 HG2 LYS A 46 -8.233 -6.632 2.574 1.00 64.33 H new ATOM 0 HG3 LYS A 46 -7.401 -7.712 1.473 1.00 64.33 H new ATOM 0 HD2 LYS A 46 -5.467 -7.708 3.203 1.00 14.13 H new ATOM 0 HD3 LYS A 46 -6.612 -6.972 4.307 1.00 14.13 H new ATOM 0 HE2 LYS A 46 -6.949 -9.653 2.900 1.00 2.30 H new ATOM 0 HE3 LYS A 46 -6.567 -9.420 4.594 1.00 2.30 H new ATOM 0 HZ1 LYS A 46 -8.744 -9.442 4.949 1.00 24.11 H new ATOM 0 HZ2 LYS A 46 -8.840 -7.926 4.189 1.00 24.11 H new ATOM 0 HZ3 LYS A 46 -9.103 -9.344 3.292 1.00 24.11 H new ATOM 676 N VAL A 47 -5.034 -8.481 0.251 1.00 3.25 N ATOM 677 CA VAL A 47 -5.213 -9.557 -0.716 1.00 60.13 C ATOM 678 C VAL A 47 -5.861 -10.776 -0.070 1.00 45.04 C ATOM 679 O VAL A 47 -5.766 -10.973 1.141 1.00 3.12 O ATOM 680 CB VAL A 47 -3.871 -9.976 -1.344 1.00 64.42 C ATOM 681 CG1 VAL A 47 -3.389 -8.921 -2.329 1.00 5.13 C ATOM 682 CG2 VAL A 47 -2.829 -10.221 -0.262 1.00 53.35 C ATOM 0 H VAL A 47 -4.644 -8.778 1.145 1.00 3.25 H new ATOM 0 HA VAL A 47 -5.868 -9.173 -1.498 1.00 60.13 H new ATOM 0 HB VAL A 47 -4.021 -10.907 -1.890 1.00 64.42 H new ATOM 0 HG11 VAL A 47 -2.439 -9.235 -2.762 1.00 5.13 H new ATOM 0 HG12 VAL A 47 -4.127 -8.799 -3.122 1.00 5.13 H new ATOM 0 HG13 VAL A 47 -3.255 -7.972 -1.809 1.00 5.13 H new ATOM 0 HG21 VAL A 47 -1.887 -10.516 -0.724 1.00 53.35 H new ATOM 0 HG22 VAL A 47 -2.680 -9.307 0.313 1.00 53.35 H new ATOM 0 HG23 VAL A 47 -3.173 -11.015 0.401 1.00 53.35 H new ATOM 692 N ALA A 48 -6.520 -11.592 -0.886 1.00 30.23 N ATOM 693 CA ALA A 48 -7.182 -12.794 -0.393 1.00 73.12 C ATOM 694 C ALA A 48 -6.288 -14.018 -0.555 1.00 10.00 C ATOM 695 O ALA A 48 -6.772 -15.132 -0.762 1.00 44.53 O ATOM 696 CB ALA A 48 -8.502 -13.003 -1.120 1.00 0.52 C ATOM 0 H ALA A 48 -6.610 -11.443 -1.891 1.00 30.23 H new ATOM 0 HA ALA A 48 -7.381 -12.660 0.670 1.00 73.12 H new ATOM 0 HB1 ALA A 48 -8.986 -13.904 -0.743 1.00 0.52 H new ATOM 0 HB2 ALA A 48 -9.151 -12.144 -0.950 1.00 0.52 H new ATOM 0 HB3 ALA A 48 -8.316 -13.112 -2.188 1.00 0.52 H new ATOM 702 N THR A 49 -4.979 -13.806 -0.460 1.00 24.51 N ATOM 703 CA THR A 49 -4.016 -14.892 -0.597 1.00 54.35 C ATOM 704 C THR A 49 -2.598 -14.411 -0.311 1.00 54.52 C ATOM 705 O THR A 49 -2.298 -13.218 -0.372 1.00 2.50 O ATOM 706 CB THR A 49 -4.061 -15.507 -2.009 1.00 11.24 C ATOM 707 OG1 THR A 49 -4.723 -14.615 -2.911 1.00 75.13 O ATOM 708 CG2 THR A 49 -4.783 -16.847 -1.992 1.00 73.44 C ATOM 0 H THR A 49 -4.561 -12.891 -0.289 1.00 24.51 H new ATOM 0 HA THR A 49 -4.293 -15.653 0.133 1.00 54.35 H new ATOM 0 HB THR A 49 -3.036 -15.668 -2.344 1.00 11.24 H new ATOM 0 HG1 THR A 49 -4.746 -15.013 -3.806 1.00 75.13 H new ATOM 0 HG21 THR A 49 -4.803 -17.263 -3.000 1.00 73.44 H new ATOM 0 HG22 THR A 49 -4.260 -17.534 -1.326 1.00 73.44 H new ATOM 0 HG23 THR A 49 -5.804 -16.706 -1.638 1.00 73.44 H new ATOM 716 N PRO A 50 -1.704 -15.357 0.010 1.00 40.00 N ATOM 717 CA PRO A 50 -0.303 -15.053 0.311 1.00 2.43 C ATOM 718 C PRO A 50 0.470 -14.601 -0.923 1.00 25.21 C ATOM 719 O PRO A 50 0.007 -14.728 -2.057 1.00 51.22 O ATOM 720 CB PRO A 50 0.246 -16.385 0.829 1.00 63.41 C ATOM 721 CG PRO A 50 -0.628 -17.421 0.212 1.00 73.24 C ATOM 722 CD PRO A 50 -1.993 -16.798 0.101 1.00 3.44 C ATOM 0 HA PRO A 50 -0.208 -14.232 1.022 1.00 2.43 H new ATOM 0 HB2 PRO A 50 1.288 -16.523 0.540 1.00 63.41 H new ATOM 0 HB3 PRO A 50 0.208 -16.432 1.917 1.00 63.41 H new ATOM 0 HG2 PRO A 50 -0.252 -17.715 -0.768 1.00 73.24 H new ATOM 0 HG3 PRO A 50 -0.659 -18.322 0.825 1.00 73.24 H new ATOM 0 HD2 PRO A 50 -2.528 -17.157 -0.778 1.00 3.44 H new ATOM 0 HD3 PRO A 50 -2.612 -17.030 0.968 1.00 3.44 H new ATOM 727 N PRO A 51 1.679 -14.063 -0.701 1.00 41.41 N ATOM 728 CA PRO A 51 2.543 -13.583 -1.784 1.00 11.24 C ATOM 729 C PRO A 51 3.098 -14.722 -2.631 1.00 34.14 C ATOM 730 O PRO A 51 3.011 -15.897 -2.270 1.00 52.41 O ATOM 731 CB PRO A 51 3.675 -12.866 -1.043 1.00 53.43 C ATOM 732 CG PRO A 51 3.715 -13.509 0.300 1.00 22.12 C ATOM 733 CD PRO A 51 2.295 -13.881 0.624 1.00 31.30 C ATOM 0 HA PRO A 51 2.003 -12.946 -2.484 1.00 11.24 H new ATOM 0 HB2 PRO A 51 4.625 -12.980 -1.565 1.00 53.43 H new ATOM 0 HB3 PRO A 51 3.481 -11.796 -0.964 1.00 53.43 H new ATOM 0 HG2 PRO A 51 4.357 -14.390 0.292 1.00 22.12 H new ATOM 0 HG3 PRO A 51 4.120 -12.827 1.047 1.00 22.12 H new ATOM 0 HD2 PRO A 51 2.244 -14.793 1.219 1.00 31.30 H new ATOM 0 HD3 PRO A 51 1.795 -13.099 1.196 1.00 31.30 H new ATOM 738 N PRO A 52 3.685 -14.372 -3.785 1.00 64.21 N ATOM 739 CA PRO A 52 4.267 -15.352 -4.707 1.00 63.10 C ATOM 740 C PRO A 52 5.531 -15.995 -4.146 1.00 2.21 C ATOM 741 O PRO A 52 6.643 -15.545 -4.423 1.00 12.34 O ATOM 742 CB PRO A 52 4.597 -14.519 -5.948 1.00 55.42 C ATOM 743 CG PRO A 52 4.774 -13.132 -5.437 1.00 41.43 C ATOM 744 CD PRO A 52 3.826 -12.992 -4.278 1.00 75.34 C ATOM 0 HA PRO A 52 3.588 -16.182 -4.902 1.00 63.10 H new ATOM 0 HB2 PRO A 52 5.502 -14.879 -6.437 1.00 55.42 H new ATOM 0 HB3 PRO A 52 3.795 -14.570 -6.684 1.00 55.42 H new ATOM 0 HG2 PRO A 52 5.803 -12.961 -5.122 1.00 41.43 H new ATOM 0 HG3 PRO A 52 4.552 -12.399 -6.213 1.00 41.43 H new ATOM 0 HD2 PRO A 52 4.225 -12.330 -3.510 1.00 75.34 H new ATOM 0 HD3 PRO A 52 2.868 -12.577 -4.590 1.00 75.34 H new ATOM 749 N SER A 53 5.353 -17.051 -3.359 1.00 0.44 N ATOM 750 CA SER A 53 6.480 -17.755 -2.756 1.00 41.13 C ATOM 751 C SER A 53 6.001 -18.956 -1.949 1.00 13.34 C ATOM 752 O SER A 53 6.616 -20.021 -1.976 1.00 13.04 O ATOM 753 CB SER A 53 7.278 -16.808 -1.858 1.00 71.55 C ATOM 754 OG SER A 53 6.496 -15.690 -1.472 1.00 32.33 O ATOM 0 H SER A 53 4.439 -17.438 -3.124 1.00 0.44 H new ATOM 0 HA SER A 53 7.125 -18.113 -3.559 1.00 41.13 H new ATOM 0 HB2 SER A 53 7.617 -17.343 -0.971 1.00 71.55 H new ATOM 0 HB3 SER A 53 8.170 -16.468 -2.385 1.00 71.55 H new ATOM 0 HG SER A 53 7.028 -15.101 -0.897 1.00 32.33 H new ATOM 759 N ALA A 54 4.898 -18.777 -1.229 1.00 71.15 N ATOM 760 CA ALA A 54 4.334 -19.846 -0.415 1.00 70.01 C ATOM 761 C ALA A 54 5.388 -20.445 0.511 1.00 54.13 C ATOM 762 O ALA A 54 5.428 -21.658 0.715 1.00 42.54 O ATOM 763 CB ALA A 54 3.733 -20.926 -1.304 1.00 45.40 C ATOM 0 H ALA A 54 4.377 -17.901 -1.193 1.00 71.15 H new ATOM 0 HA ALA A 54 3.544 -19.420 0.204 1.00 70.01 H new ATOM 0 HB1 ALA A 54 3.315 -21.718 -0.682 1.00 45.40 H new ATOM 0 HB2 ALA A 54 2.944 -20.493 -1.919 1.00 45.40 H new ATOM 0 HB3 ALA A 54 4.509 -21.341 -1.948 1.00 45.40 H new ATOM 769 N GLN A 55 6.237 -19.587 1.065 1.00 10.54 N ATOM 770 CA GLN A 55 7.292 -20.034 1.968 1.00 44.53 C ATOM 771 C GLN A 55 6.705 -20.752 3.178 1.00 10.43 C ATOM 772 O GLN A 55 6.979 -21.926 3.428 1.00 65.50 O ATOM 773 CB GLN A 55 8.137 -18.844 2.427 1.00 24.24 C ATOM 774 CG GLN A 55 9.531 -18.820 1.822 1.00 62.23 C ATOM 775 CD GLN A 55 10.503 -19.722 2.558 1.00 44.55 C ATOM 776 OE1 GLN A 55 10.205 -20.885 2.826 1.00 4.45 O ATOM 777 NE2 GLN A 55 11.674 -19.187 2.888 1.00 13.51 N ATOM 0 H GLN A 55 6.216 -18.580 0.905 1.00 10.54 H new ATOM 0 HA GLN A 55 7.927 -20.735 1.426 1.00 44.53 H new ATOM 0 HB2 GLN A 55 7.621 -17.920 2.166 1.00 24.24 H new ATOM 0 HB3 GLN A 55 8.222 -18.866 3.513 1.00 24.24 H new ATOM 0 HG2 GLN A 55 9.475 -19.128 0.778 1.00 62.23 H new ATOM 0 HG3 GLN A 55 9.910 -17.798 1.833 1.00 62.23 H new ATOM 0 HE21 GLN A 55 11.878 -18.218 2.645 1.00 13.51 H new ATOM 0 HE22 GLN A 55 12.368 -19.746 3.384 1.00 13.51 H new ATOM 784 N PRO A 56 5.876 -20.033 3.950 1.00 41.00 N ATOM 785 CA PRO A 56 5.233 -20.582 5.148 1.00 74.14 C ATOM 786 C PRO A 56 4.172 -21.624 4.808 1.00 3.43 C ATOM 787 O PRO A 56 3.376 -21.436 3.888 1.00 64.50 O ATOM 788 CB PRO A 56 4.589 -19.356 5.799 1.00 65.32 C ATOM 789 CG PRO A 56 4.371 -18.402 4.676 1.00 62.04 C ATOM 790 CD PRO A 56 5.503 -18.629 3.713 1.00 64.31 C ATOM 0 HA PRO A 56 5.944 -21.099 5.793 1.00 74.14 H new ATOM 0 HB2 PRO A 56 3.649 -19.615 6.287 1.00 65.32 H new ATOM 0 HB3 PRO A 56 5.237 -18.927 6.563 1.00 65.32 H new ATOM 0 HG2 PRO A 56 3.409 -18.579 4.195 1.00 62.04 H new ATOM 0 HG3 PRO A 56 4.364 -17.373 5.034 1.00 62.04 H new ATOM 0 HD2 PRO A 56 5.192 -18.465 2.681 1.00 64.31 H new ATOM 0 HD3 PRO A 56 6.336 -17.954 3.906 1.00 64.31 H new ATOM 795 N TRP A 57 4.165 -22.719 5.559 1.00 32.52 N ATOM 796 CA TRP A 57 3.200 -23.791 5.339 1.00 61.43 C ATOM 797 C TRP A 57 2.285 -23.957 6.547 1.00 70.41 C ATOM 798 O TRP A 57 1.156 -24.432 6.422 1.00 21.32 O ATOM 799 CB TRP A 57 3.925 -25.106 5.047 1.00 21.10 C ATOM 800 CG TRP A 57 3.558 -25.706 3.723 1.00 61.32 C ATOM 801 CD1 TRP A 57 2.302 -25.843 3.205 1.00 63.35 C ATOM 802 CD2 TRP A 57 4.457 -26.252 2.752 1.00 55.24 C ATOM 803 NE1 TRP A 57 2.366 -26.440 1.969 1.00 51.22 N ATOM 804 CE2 TRP A 57 3.676 -26.700 1.667 1.00 3.14 C ATOM 805 CE3 TRP A 57 5.845 -26.402 2.690 1.00 32.33 C ATOM 806 CZ2 TRP A 57 4.239 -27.290 0.539 1.00 61.33 C ATOM 807 CZ3 TRP A 57 6.401 -26.988 1.569 1.00 23.23 C ATOM 808 CH2 TRP A 57 5.601 -27.426 0.506 1.00 73.23 C ATOM 0 H TRP A 57 4.816 -22.888 6.326 1.00 32.52 H new ATOM 0 HA TRP A 57 2.588 -23.523 4.478 1.00 61.43 H new ATOM 0 HB2 TRP A 57 5.001 -24.933 5.074 1.00 21.10 H new ATOM 0 HB3 TRP A 57 3.697 -25.821 5.837 1.00 21.10 H new ATOM 0 HD1 TRP A 57 1.392 -25.528 3.695 1.00 63.35 H new ATOM 0 HE1 TRP A 57 1.567 -26.655 1.373 1.00 51.22 H new ATOM 0 HE3 TRP A 57 6.471 -26.066 3.503 1.00 32.33 H new ATOM 0 HZ2 TRP A 57 3.623 -27.629 -0.281 1.00 61.33 H new ATOM 0 HZ3 TRP A 57 7.472 -27.111 1.511 1.00 23.23 H new ATOM 0 HH2 TRP A 57 6.067 -27.880 -0.356 1.00 73.23 H new ATOM 818 N LYS A 58 2.779 -23.563 7.715 1.00 52.43 N ATOM 819 CA LYS A 58 2.005 -23.666 8.947 1.00 70.21 C ATOM 820 C LYS A 58 0.631 -23.022 8.783 1.00 24.22 C ATOM 821 O LYS A 58 -0.389 -23.618 9.124 1.00 33.31 O ATOM 822 CB LYS A 58 2.756 -23.001 10.103 1.00 32.33 C ATOM 823 CG LYS A 58 2.887 -23.885 11.331 1.00 34.41 C ATOM 824 CD LYS A 58 2.981 -23.061 12.604 1.00 54.22 C ATOM 825 CE LYS A 58 2.643 -23.893 13.832 1.00 3.53 C ATOM 826 NZ LYS A 58 1.588 -23.250 14.664 1.00 1.24 N ATOM 0 H LYS A 58 3.712 -23.169 7.835 1.00 52.43 H new ATOM 0 HA LYS A 58 1.867 -24.724 9.172 1.00 70.21 H new ATOM 0 HB2 LYS A 58 3.752 -22.716 9.763 1.00 32.33 H new ATOM 0 HB3 LYS A 58 2.239 -22.082 10.380 1.00 32.33 H new ATOM 0 HG2 LYS A 58 2.029 -24.554 11.392 1.00 34.41 H new ATOM 0 HG3 LYS A 58 3.774 -24.512 11.236 1.00 34.41 H new ATOM 0 HD2 LYS A 58 3.988 -22.656 12.703 1.00 54.22 H new ATOM 0 HD3 LYS A 58 2.301 -22.212 12.540 1.00 54.22 H new ATOM 0 HE2 LYS A 58 2.307 -24.882 13.520 1.00 3.53 H new ATOM 0 HE3 LYS A 58 3.542 -24.037 14.432 1.00 3.53 H new ATOM 0 HZ1 LYS A 58 1.386 -23.847 15.491 1.00 1.24 H new ATOM 0 HZ2 LYS A 58 1.918 -22.317 14.983 1.00 1.24 H new ATOM 0 HZ3 LYS A 58 0.722 -23.136 14.099 1.00 1.24 H new ATOM 836 N GLY A 59 0.615 -21.802 8.257 1.00 55.43 N ATOM 837 CA GLY A 59 -0.639 -21.099 8.055 1.00 40.52 C ATOM 838 C GLY A 59 -0.470 -19.834 7.237 1.00 45.12 C ATOM 839 O GLY A 59 0.523 -19.674 6.526 1.00 5.34 O ATOM 0 H GLY A 59 1.447 -21.288 7.967 1.00 55.43 H new ATOM 0 HA2 GLY A 59 -1.346 -21.760 7.554 1.00 40.52 H new ATOM 0 HA3 GLY A 59 -1.070 -20.847 9.024 1.00 40.52 H new ATOM 843 N ASP A 60 -1.441 -18.932 7.336 1.00 22.03 N ATOM 844 CA ASP A 60 -1.395 -17.674 6.599 1.00 34.14 C ATOM 845 C ASP A 60 -2.177 -16.588 7.329 1.00 13.40 C ATOM 846 O ASP A 60 -3.306 -16.252 6.968 1.00 4.30 O ATOM 847 CB ASP A 60 -1.956 -17.865 5.189 1.00 21.21 C ATOM 848 CG ASP A 60 -3.031 -18.932 5.133 1.00 74.32 C ATOM 849 OD1 ASP A 60 -4.068 -18.766 5.809 1.00 74.42 O ATOM 850 OD2 ASP A 60 -2.835 -19.935 4.414 1.00 13.41 O ATOM 0 H ASP A 60 -2.269 -19.049 7.919 1.00 22.03 H new ATOM 0 HA ASP A 60 -0.354 -17.360 6.528 1.00 34.14 H new ATOM 0 HB2 ASP A 60 -2.367 -16.920 4.834 1.00 21.21 H new ATOM 0 HB3 ASP A 60 -1.145 -18.134 4.512 1.00 21.21 H new ATOM 854 N PRO A 61 -1.567 -16.025 8.383 1.00 63.32 N ATOM 855 CA PRO A 61 -2.188 -14.969 9.186 1.00 43.54 C ATOM 856 C PRO A 61 -2.303 -13.652 8.424 1.00 44.10 C ATOM 857 O PRO A 61 -1.990 -13.582 7.236 1.00 53.21 O ATOM 858 CB PRO A 61 -1.234 -14.817 10.373 1.00 30.34 C ATOM 859 CG PRO A 61 0.084 -15.289 9.862 1.00 22.01 C ATOM 860 CD PRO A 61 -0.222 -16.376 8.870 1.00 74.41 C ATOM 0 HA PRO A 61 -3.209 -15.223 9.472 1.00 43.54 H new ATOM 0 HB2 PRO A 61 -1.181 -13.781 10.708 1.00 30.34 H new ATOM 0 HB3 PRO A 61 -1.564 -15.411 11.225 1.00 30.34 H new ATOM 0 HG2 PRO A 61 0.634 -14.475 9.391 1.00 22.01 H new ATOM 0 HG3 PRO A 61 0.705 -15.666 10.674 1.00 22.01 H new ATOM 0 HD2 PRO A 61 0.506 -16.397 8.059 1.00 74.41 H new ATOM 0 HD3 PRO A 61 -0.208 -17.361 9.336 1.00 74.41 H new ATOM 865 N VAL A 62 -2.752 -12.610 9.117 1.00 53.12 N ATOM 866 CA VAL A 62 -2.906 -11.295 8.506 1.00 13.04 C ATOM 867 C VAL A 62 -1.604 -10.833 7.861 1.00 45.42 C ATOM 868 O VAL A 62 -1.612 -10.013 6.943 1.00 1.14 O ATOM 869 CB VAL A 62 -3.356 -10.245 9.540 1.00 35.43 C ATOM 870 CG1 VAL A 62 -3.484 -8.876 8.889 1.00 21.41 C ATOM 871 CG2 VAL A 62 -4.668 -10.663 10.185 1.00 45.54 C ATOM 0 H VAL A 62 -3.015 -12.651 10.102 1.00 53.12 H new ATOM 0 HA VAL A 62 -3.674 -11.390 7.738 1.00 13.04 H new ATOM 0 HB VAL A 62 -2.598 -10.180 10.321 1.00 35.43 H new ATOM 0 HG11 VAL A 62 -3.803 -8.147 9.634 1.00 21.41 H new ATOM 0 HG12 VAL A 62 -2.520 -8.577 8.478 1.00 21.41 H new ATOM 0 HG13 VAL A 62 -4.221 -8.922 8.088 1.00 21.41 H new ATOM 0 HG21 VAL A 62 -4.972 -9.910 10.913 1.00 45.54 H new ATOM 0 HG22 VAL A 62 -5.437 -10.757 9.418 1.00 45.54 H new ATOM 0 HG23 VAL A 62 -4.537 -11.622 10.687 1.00 45.54 H new ATOM 881 N GLU A 63 -0.487 -11.365 8.348 1.00 55.51 N ATOM 882 CA GLU A 63 0.823 -11.005 7.819 1.00 35.40 C ATOM 883 C GLU A 63 0.902 -11.295 6.322 1.00 45.02 C ATOM 884 O GLU A 63 1.472 -10.514 5.559 1.00 12.12 O ATOM 885 CB GLU A 63 1.923 -11.773 8.556 1.00 44.34 C ATOM 886 CG GLU A 63 2.014 -11.432 10.034 1.00 32.03 C ATOM 887 CD GLU A 63 3.393 -10.945 10.436 1.00 4.50 C ATOM 888 OE1 GLU A 63 4.277 -11.794 10.674 1.00 72.23 O ATOM 889 OE2 GLU A 63 3.586 -9.714 10.514 1.00 4.22 O ATOM 0 H GLU A 63 -0.463 -12.046 9.107 1.00 55.51 H new ATOM 0 HA GLU A 63 0.969 -9.936 7.974 1.00 35.40 H new ATOM 0 HB2 GLU A 63 1.743 -12.843 8.448 1.00 44.34 H new ATOM 0 HB3 GLU A 63 2.882 -11.562 8.083 1.00 44.34 H new ATOM 0 HG2 GLU A 63 1.278 -10.664 10.272 1.00 32.03 H new ATOM 0 HG3 GLU A 63 1.758 -12.313 10.623 1.00 32.03 H new ATOM 894 N GLN A 64 0.329 -12.421 5.911 1.00 51.22 N ATOM 895 CA GLN A 64 0.336 -12.812 4.506 1.00 0.23 C ATOM 896 C GLN A 64 -0.872 -12.238 3.774 1.00 44.44 C ATOM 897 O GLN A 64 -0.837 -12.037 2.560 1.00 14.31 O ATOM 898 CB GLN A 64 0.346 -14.337 4.381 1.00 13.25 C ATOM 899 CG GLN A 64 1.609 -14.985 4.926 1.00 14.30 C ATOM 900 CD GLN A 64 2.609 -15.318 3.838 1.00 75.42 C ATOM 901 OE1 GLN A 64 2.448 -16.483 3.222 1.00 32.11 O flip ATOM 902 NE2 GLN A 64 3.517 -14.536 3.552 1.00 24.42 N flip ATOM 0 H GLN A 64 -0.146 -13.078 6.530 1.00 51.22 H new ATOM 0 HA GLN A 64 1.239 -12.410 4.047 1.00 0.23 H new ATOM 0 HB2 GLN A 64 -0.517 -14.742 4.909 1.00 13.25 H new ATOM 0 HB3 GLN A 64 0.233 -14.608 3.331 1.00 13.25 H new ATOM 0 HG2 GLN A 64 2.074 -14.315 5.649 1.00 14.30 H new ATOM 0 HG3 GLN A 64 1.343 -15.896 5.461 1.00 14.30 H new ATOM 0 HE21 GLN A 64 3.604 -13.651 4.051 1.00 24.42 H new ATOM 0 HE22 GLN A 64 4.182 -14.774 2.816 1.00 24.42 H new ATOM 909 N LEU A 65 -1.939 -11.975 4.520 1.00 10.53 N ATOM 910 CA LEU A 65 -3.160 -11.422 3.942 1.00 20.23 C ATOM 911 C LEU A 65 -2.979 -9.948 3.596 1.00 11.22 C ATOM 912 O LEU A 65 -3.678 -9.411 2.736 1.00 1.43 O ATOM 913 CB LEU A 65 -4.329 -11.591 4.913 1.00 3.42 C ATOM 914 CG LEU A 65 -4.670 -13.028 5.312 1.00 73.43 C ATOM 915 CD1 LEU A 65 -5.909 -13.058 6.192 1.00 54.13 C ATOM 916 CD2 LEU A 65 -4.871 -13.890 4.074 1.00 20.33 C ATOM 0 H LEU A 65 -1.984 -12.135 5.526 1.00 10.53 H new ATOM 0 HA LEU A 65 -3.378 -11.967 3.024 1.00 20.23 H new ATOM 0 HB2 LEU A 65 -4.107 -11.027 5.819 1.00 3.42 H new ATOM 0 HB3 LEU A 65 -5.215 -11.140 4.466 1.00 3.42 H new ATOM 0 HG LEU A 65 -3.835 -13.435 5.883 1.00 73.43 H new ATOM 0 HD11 LEU A 65 -6.136 -14.088 6.466 1.00 54.13 H new ATOM 0 HD12 LEU A 65 -5.728 -12.474 7.095 1.00 54.13 H new ATOM 0 HD13 LEU A 65 -6.752 -12.633 5.648 1.00 54.13 H new ATOM 0 HD21 LEU A 65 -5.113 -14.909 4.376 1.00 20.33 H new ATOM 0 HD22 LEU A 65 -5.688 -13.485 3.477 1.00 20.33 H new ATOM 0 HD23 LEU A 65 -3.956 -13.894 3.481 1.00 20.33 H new ATOM 927 N VAL A 66 -2.036 -9.298 4.269 1.00 4.43 N ATOM 928 CA VAL A 66 -1.761 -7.886 4.032 1.00 32.42 C ATOM 929 C VAL A 66 -0.299 -7.667 3.658 1.00 31.12 C ATOM 930 O VAL A 66 0.607 -8.064 4.391 1.00 50.34 O ATOM 931 CB VAL A 66 -2.097 -7.032 5.268 1.00 20.33 C ATOM 932 CG1 VAL A 66 -1.797 -5.565 5.002 1.00 62.22 C ATOM 933 CG2 VAL A 66 -3.552 -7.224 5.668 1.00 73.22 C ATOM 0 H VAL A 66 -1.449 -9.727 4.984 1.00 4.43 H new ATOM 0 HA VAL A 66 -2.396 -7.575 3.203 1.00 32.42 H new ATOM 0 HB VAL A 66 -1.470 -7.361 6.097 1.00 20.33 H new ATOM 0 HG11 VAL A 66 -2.041 -4.977 5.887 1.00 62.22 H new ATOM 0 HG12 VAL A 66 -0.739 -5.447 4.768 1.00 62.22 H new ATOM 0 HG13 VAL A 66 -2.396 -5.218 4.160 1.00 62.22 H new ATOM 0 HG21 VAL A 66 -3.772 -6.613 6.543 1.00 73.22 H new ATOM 0 HG22 VAL A 66 -4.199 -6.923 4.844 1.00 73.22 H new ATOM 0 HG23 VAL A 66 -3.729 -8.273 5.904 1.00 73.22 H new ATOM 943 N ARG A 67 -0.076 -7.032 2.512 1.00 74.34 N ATOM 944 CA ARG A 67 1.277 -6.760 2.040 1.00 52.53 C ATOM 945 C ARG A 67 1.599 -5.272 2.143 1.00 5.44 C ATOM 946 O ARG A 67 0.972 -4.442 1.484 1.00 35.41 O ATOM 947 CB ARG A 67 1.438 -7.228 0.592 1.00 42.32 C ATOM 948 CG ARG A 67 1.771 -8.705 0.463 1.00 64.21 C ATOM 949 CD ARG A 67 3.142 -9.018 1.042 1.00 33.43 C ATOM 950 NE ARG A 67 3.054 -9.828 2.254 1.00 54.24 N ATOM 951 CZ ARG A 67 4.107 -10.173 2.986 1.00 55.42 C ATOM 952 NH1 ARG A 67 5.322 -9.782 2.631 1.00 60.02 N ATOM 953 NH2 ARG A 67 3.944 -10.912 4.076 1.00 4.00 N ATOM 0 H ARG A 67 -0.814 -6.696 1.893 1.00 74.34 H new ATOM 0 HA ARG A 67 1.974 -7.310 2.673 1.00 52.53 H new ATOM 0 HB2 ARG A 67 0.516 -7.023 0.048 1.00 42.32 H new ATOM 0 HB3 ARG A 67 2.225 -6.644 0.116 1.00 42.32 H new ATOM 0 HG2 ARG A 67 1.014 -9.296 0.977 1.00 64.21 H new ATOM 0 HG3 ARG A 67 1.743 -8.995 -0.587 1.00 64.21 H new ATOM 0 HD2 ARG A 67 3.738 -9.545 0.297 1.00 33.43 H new ATOM 0 HD3 ARG A 67 3.662 -8.087 1.266 1.00 33.43 H new ATOM 0 HE ARG A 67 2.133 -10.146 2.555 1.00 54.24 H new ATOM 0 HH11 ARG A 67 5.451 -9.214 1.793 1.00 60.02 H new ATOM 0 HH12 ARG A 67 6.129 -10.049 3.195 1.00 60.02 H new ATOM 0 HH21 ARG A 67 3.010 -11.215 4.352 1.00 4.00 H new ATOM 0 HH22 ARG A 67 4.753 -11.177 4.638 1.00 4.00 H new ATOM 964 N HIS A 68 2.581 -4.941 2.976 1.00 23.24 N ATOM 965 CA HIS A 68 2.987 -3.554 3.167 1.00 44.41 C ATOM 966 C HIS A 68 4.438 -3.348 2.741 1.00 11.14 C ATOM 967 O HIS A 68 5.338 -4.041 3.215 1.00 23.14 O ATOM 968 CB HIS A 68 2.810 -3.144 4.630 1.00 72.24 C ATOM 969 CG HIS A 68 3.349 -4.149 5.602 1.00 54.42 C ATOM 970 ND1 HIS A 68 4.679 -4.215 5.956 1.00 11.23 N ATOM 971 CD2 HIS A 68 2.725 -5.129 6.297 1.00 61.44 C ATOM 972 CE1 HIS A 68 4.852 -5.194 6.826 1.00 34.30 C ATOM 973 NE2 HIS A 68 3.682 -5.765 7.049 1.00 30.14 N ATOM 0 H HIS A 68 3.110 -5.615 3.529 1.00 23.24 H new ATOM 0 HA HIS A 68 2.351 -2.927 2.542 1.00 44.41 H new ATOM 0 HB2 HIS A 68 3.308 -2.188 4.794 1.00 72.24 H new ATOM 0 HB3 HIS A 68 1.750 -2.989 4.830 1.00 72.24 H new ATOM 0 HD2 HIS A 68 1.672 -5.366 6.266 1.00 61.44 H new ATOM 0 HE1 HIS A 68 5.791 -5.479 7.278 1.00 34.30 H new ATOM 0 HE2 HIS A 68 3.516 -6.551 7.678 1.00 30.14 H new ATOM 980 N PHE A 69 4.657 -2.394 1.842 1.00 11.54 N ATOM 981 CA PHE A 69 5.998 -2.100 1.351 1.00 3.42 C ATOM 982 C PHE A 69 6.282 -0.601 1.410 1.00 54.11 C ATOM 983 O PHE A 69 5.372 0.220 1.280 1.00 4.24 O ATOM 984 CB PHE A 69 6.161 -2.606 -0.083 1.00 71.10 C ATOM 985 CG PHE A 69 5.772 -4.045 -0.259 1.00 30.03 C ATOM 986 CD1 PHE A 69 6.403 -5.041 0.469 1.00 3.13 C ATOM 987 CD2 PHE A 69 4.775 -4.403 -1.151 1.00 14.00 C ATOM 988 CE1 PHE A 69 6.047 -6.367 0.310 1.00 73.21 C ATOM 989 CE2 PHE A 69 4.413 -5.728 -1.315 1.00 64.14 C ATOM 990 CZ PHE A 69 5.051 -6.711 -0.583 1.00 15.40 C ATOM 0 H PHE A 69 3.923 -1.812 1.439 1.00 11.54 H new ATOM 0 HA PHE A 69 6.714 -2.613 1.993 1.00 3.42 H new ATOM 0 HB2 PHE A 69 5.555 -1.990 -0.748 1.00 71.10 H new ATOM 0 HB3 PHE A 69 7.199 -2.479 -0.389 1.00 71.10 H new ATOM 0 HD1 PHE A 69 7.182 -4.778 1.169 1.00 3.13 H new ATOM 0 HD2 PHE A 69 4.274 -3.638 -1.726 1.00 14.00 H new ATOM 0 HE1 PHE A 69 6.547 -7.133 0.883 1.00 73.21 H new ATOM 0 HE2 PHE A 69 3.633 -5.994 -2.014 1.00 64.14 H new ATOM 0 HZ PHE A 69 4.771 -7.747 -0.709 1.00 15.40 H new ATOM 999 N LEU A 70 7.548 -0.253 1.604 1.00 44.43 N ATOM 1000 CA LEU A 70 7.954 1.147 1.681 1.00 41.23 C ATOM 1001 C LEU A 70 8.521 1.623 0.347 1.00 22.34 C ATOM 1002 O LEU A 70 9.475 1.044 -0.174 1.00 0.12 O ATOM 1003 CB LEU A 70 8.992 1.338 2.787 1.00 41.30 C ATOM 1004 CG LEU A 70 10.344 0.662 2.564 1.00 21.52 C ATOM 1005 CD1 LEU A 70 11.384 1.679 2.119 1.00 2.34 C ATOM 1006 CD2 LEU A 70 10.800 -0.052 3.828 1.00 44.42 C ATOM 0 H LEU A 70 8.312 -0.920 1.711 1.00 44.43 H new ATOM 0 HA LEU A 70 7.072 1.743 1.914 1.00 41.23 H new ATOM 0 HB2 LEU A 70 9.160 2.407 2.919 1.00 41.30 H new ATOM 0 HB3 LEU A 70 8.571 0.964 3.721 1.00 41.30 H new ATOM 0 HG LEU A 70 10.230 -0.080 1.773 1.00 21.52 H new ATOM 0 HD11 LEU A 70 12.340 1.178 1.965 1.00 2.34 H new ATOM 0 HD12 LEU A 70 11.063 2.143 1.186 1.00 2.34 H new ATOM 0 HD13 LEU A 70 11.495 2.445 2.886 1.00 2.34 H new ATOM 0 HD21 LEU A 70 11.765 -0.527 3.650 1.00 44.42 H new ATOM 0 HD22 LEU A 70 10.896 0.670 4.639 1.00 44.42 H new ATOM 0 HD23 LEU A 70 10.067 -0.811 4.102 1.00 44.42 H new ATOM 1017 N ILE A 71 7.930 2.680 -0.198 1.00 4.00 N ATOM 1018 CA ILE A 71 8.380 3.235 -1.469 1.00 1.53 C ATOM 1019 C ILE A 71 9.317 4.418 -1.251 1.00 62.23 C ATOM 1020 O ILE A 71 9.059 5.280 -0.412 1.00 62.15 O ATOM 1021 CB ILE A 71 7.192 3.690 -2.337 1.00 14.14 C ATOM 1022 CG1 ILE A 71 6.071 2.649 -2.291 1.00 11.25 C ATOM 1023 CG2 ILE A 71 7.643 3.926 -3.770 1.00 73.14 C ATOM 1024 CD1 ILE A 71 4.920 3.039 -1.390 1.00 65.11 C ATOM 0 H ILE A 71 7.139 3.170 0.220 1.00 4.00 H new ATOM 0 HA ILE A 71 8.916 2.440 -1.988 1.00 1.53 H new ATOM 0 HB ILE A 71 6.808 4.629 -1.938 1.00 14.14 H new ATOM 0 HG12 ILE A 71 5.693 2.489 -3.301 1.00 11.25 H new ATOM 0 HG13 ILE A 71 6.482 1.699 -1.950 1.00 11.25 H new ATOM 0 HG21 ILE A 71 6.792 4.247 -4.371 1.00 73.14 H new ATOM 0 HG22 ILE A 71 8.412 4.699 -3.787 1.00 73.14 H new ATOM 0 HG23 ILE A 71 8.049 3.002 -4.181 1.00 73.14 H new ATOM 0 HD11 ILE A 71 4.163 2.255 -1.407 1.00 65.11 H new ATOM 0 HD12 ILE A 71 5.284 3.171 -0.371 1.00 65.11 H new ATOM 0 HD13 ILE A 71 4.482 3.973 -1.742 1.00 65.11 H new ATOM 1035 N GLU A 72 10.406 4.452 -2.013 1.00 54.04 N ATOM 1036 CA GLU A 72 11.381 5.531 -1.904 1.00 31.11 C ATOM 1037 C GLU A 72 11.406 6.373 -3.177 1.00 65.22 C ATOM 1038 O GLU A 72 11.250 5.854 -4.282 1.00 31.02 O ATOM 1039 CB GLU A 72 12.774 4.963 -1.628 1.00 30.33 C ATOM 1040 CG GLU A 72 13.825 6.028 -1.361 1.00 15.44 C ATOM 1041 CD GLU A 72 15.104 5.454 -0.784 1.00 2.13 C ATOM 1042 OE1 GLU A 72 15.033 4.397 -0.121 1.00 2.11 O ATOM 1043 OE2 GLU A 72 16.174 6.061 -0.993 1.00 31.40 O ATOM 0 H GLU A 72 10.635 3.745 -2.712 1.00 54.04 H new ATOM 0 HA GLU A 72 11.086 6.170 -1.072 1.00 31.11 H new ATOM 0 HB2 GLU A 72 12.721 4.294 -0.769 1.00 30.33 H new ATOM 0 HB3 GLU A 72 13.087 4.361 -2.481 1.00 30.33 H new ATOM 0 HG2 GLU A 72 14.052 6.550 -2.291 1.00 15.44 H new ATOM 0 HG3 GLU A 72 13.420 6.768 -0.671 1.00 15.44 H new ATOM 1048 N THR A 73 11.603 7.677 -3.012 1.00 22.51 N ATOM 1049 CA THR A 73 11.647 8.592 -4.146 1.00 3.03 C ATOM 1050 C THR A 73 12.987 9.316 -4.216 1.00 72.24 C ATOM 1051 O THR A 73 13.384 10.002 -3.275 1.00 35.24 O ATOM 1052 CB THR A 73 10.517 9.636 -4.070 1.00 34.01 C ATOM 1053 OG1 THR A 73 10.735 10.667 -5.040 1.00 31.54 O ATOM 1054 CG2 THR A 73 10.439 10.249 -2.680 1.00 12.13 C ATOM 0 H THR A 73 11.735 8.123 -2.104 1.00 22.51 H new ATOM 0 HA THR A 73 11.515 7.989 -5.044 1.00 3.03 H new ATOM 0 HB THR A 73 9.574 9.133 -4.282 1.00 34.01 H new ATOM 0 HG1 THR A 73 10.011 11.326 -4.986 1.00 31.54 H new ATOM 0 HG21 THR A 73 9.634 10.983 -2.651 1.00 12.13 H new ATOM 0 HG22 THR A 73 10.243 9.466 -1.948 1.00 12.13 H new ATOM 0 HG23 THR A 73 11.384 10.738 -2.444 1.00 12.13 H new ATOM 1062 N GLY A 74 13.681 9.160 -5.340 1.00 21.20 N ATOM 1063 CA GLY A 74 14.969 9.805 -5.513 1.00 42.24 C ATOM 1064 C GLY A 74 15.063 10.573 -6.816 1.00 34.21 C ATOM 1065 O GLY A 74 14.061 10.832 -7.483 1.00 2.32 O ATOM 0 H GLY A 74 13.373 8.598 -6.134 1.00 21.20 H new ATOM 0 HA2 GLY A 74 15.146 10.486 -4.680 1.00 42.24 H new ATOM 0 HA3 GLY A 74 15.756 9.052 -5.481 1.00 42.24 H new ATOM 1069 N PRO A 75 16.292 10.950 -7.198 1.00 70.32 N ATOM 1070 CA PRO A 75 16.543 11.699 -8.433 1.00 73.21 C ATOM 1071 C PRO A 75 16.309 10.854 -9.681 1.00 71.04 C ATOM 1072 O PRO A 75 16.342 11.361 -10.802 1.00 21.20 O ATOM 1073 CB PRO A 75 18.020 12.087 -8.320 1.00 53.52 C ATOM 1074 CG PRO A 75 18.614 11.054 -7.426 1.00 43.12 C ATOM 1075 CD PRO A 75 17.532 10.674 -6.454 1.00 43.12 C ATOM 0 HA PRO A 75 15.871 12.551 -8.536 1.00 73.21 H new ATOM 0 HB2 PRO A 75 18.504 12.092 -9.297 1.00 53.52 H new ATOM 0 HB3 PRO A 75 18.136 13.087 -7.902 1.00 53.52 H new ATOM 0 HG2 PRO A 75 18.946 10.188 -7.998 1.00 43.12 H new ATOM 0 HG3 PRO A 75 19.487 11.445 -6.904 1.00 43.12 H new ATOM 0 HD2 PRO A 75 17.602 9.625 -6.165 1.00 43.12 H new ATOM 0 HD3 PRO A 75 17.590 11.262 -5.538 1.00 43.12 H new ATOM 1080 N LYS A 76 16.071 9.563 -9.479 1.00 32.51 N ATOM 1081 CA LYS A 76 15.829 8.646 -10.588 1.00 15.32 C ATOM 1082 C LYS A 76 14.361 8.233 -10.642 1.00 61.05 C ATOM 1083 O LYS A 76 13.956 7.461 -11.509 1.00 40.04 O ATOM 1084 CB LYS A 76 16.713 7.405 -10.452 1.00 24.43 C ATOM 1085 CG LYS A 76 18.147 7.627 -10.904 1.00 72.15 C ATOM 1086 CD LYS A 76 18.425 6.943 -12.232 1.00 34.31 C ATOM 1087 CE LYS A 76 19.907 6.651 -12.409 1.00 4.20 C ATOM 1088 NZ LYS A 76 20.278 6.509 -13.844 1.00 33.01 N ATOM 0 H LYS A 76 16.040 9.127 -8.557 1.00 32.51 H new ATOM 0 HA LYS A 76 16.078 9.163 -11.515 1.00 15.32 H new ATOM 0 HB2 LYS A 76 16.715 7.083 -9.411 1.00 24.43 H new ATOM 0 HB3 LYS A 76 16.278 6.594 -11.036 1.00 24.43 H new ATOM 0 HG2 LYS A 76 18.339 8.696 -10.997 1.00 72.15 H new ATOM 0 HG3 LYS A 76 18.832 7.245 -10.147 1.00 72.15 H new ATOM 0 HD2 LYS A 76 17.860 6.012 -12.288 1.00 34.31 H new ATOM 0 HD3 LYS A 76 18.078 7.576 -13.048 1.00 34.31 H new ATOM 0 HE2 LYS A 76 20.491 7.455 -11.961 1.00 4.20 H new ATOM 0 HE3 LYS A 76 20.163 5.735 -11.876 1.00 4.20 H new ATOM 0 HZ1 LYS A 76 21.296 6.311 -13.921 1.00 33.01 H new ATOM 0 HZ2 LYS A 76 19.740 5.726 -14.266 1.00 33.01 H new ATOM 0 HZ3 LYS A 76 20.058 7.391 -14.348 1.00 33.01 H new ATOM 1098 N GLY A 77 13.570 8.756 -9.710 1.00 12.05 N ATOM 1099 CA GLY A 77 12.155 8.431 -9.671 1.00 23.53 C ATOM 1100 C GLY A 77 11.753 7.746 -8.380 1.00 72.20 C ATOM 1101 O GLY A 77 12.578 7.555 -7.487 1.00 42.35 O ATOM 0 H GLY A 77 13.883 9.398 -8.982 1.00 12.05 H new ATOM 0 HA2 GLY A 77 11.572 9.344 -9.791 1.00 23.53 H new ATOM 0 HA3 GLY A 77 11.911 7.784 -10.513 1.00 23.53 H new ATOM 1105 N VAL A 78 10.481 7.374 -8.281 1.00 10.10 N ATOM 1106 CA VAL A 78 9.970 6.707 -7.089 1.00 52.23 C ATOM 1107 C VAL A 78 9.605 5.257 -7.386 1.00 12.34 C ATOM 1108 O VAL A 78 8.853 4.972 -8.319 1.00 13.53 O ATOM 1109 CB VAL A 78 8.733 7.431 -6.527 1.00 51.54 C ATOM 1110 CG1 VAL A 78 7.678 7.606 -7.610 1.00 11.33 C ATOM 1111 CG2 VAL A 78 8.166 6.672 -5.337 1.00 2.13 C ATOM 0 H VAL A 78 9.785 7.523 -9.012 1.00 10.10 H new ATOM 0 HA VAL A 78 10.766 6.734 -6.345 1.00 52.23 H new ATOM 0 HB VAL A 78 9.037 8.421 -6.186 1.00 51.54 H new ATOM 0 HG11 VAL A 78 6.811 8.120 -7.194 1.00 11.33 H new ATOM 0 HG12 VAL A 78 8.091 8.196 -8.428 1.00 11.33 H new ATOM 0 HG13 VAL A 78 7.375 6.628 -7.984 1.00 11.33 H new ATOM 0 HG21 VAL A 78 7.292 7.198 -4.953 1.00 2.13 H new ATOM 0 HG22 VAL A 78 7.877 5.669 -5.650 1.00 2.13 H new ATOM 0 HG23 VAL A 78 8.922 6.605 -4.555 1.00 2.13 H new ATOM 1121 N LYS A 79 10.142 4.342 -6.586 1.00 72.33 N ATOM 1122 CA LYS A 79 9.873 2.919 -6.760 1.00 73.31 C ATOM 1123 C LYS A 79 9.773 2.215 -5.411 1.00 42.42 C ATOM 1124 O LYS A 79 10.259 2.721 -4.399 1.00 41.31 O ATOM 1125 CB LYS A 79 10.972 2.271 -7.605 1.00 35.41 C ATOM 1126 CG LYS A 79 12.184 1.839 -6.799 1.00 4.02 C ATOM 1127 CD LYS A 79 12.850 3.022 -6.117 1.00 51.54 C ATOM 1128 CE LYS A 79 14.127 2.608 -5.401 1.00 51.11 C ATOM 1129 NZ LYS A 79 14.808 3.769 -4.766 1.00 62.21 N ATOM 0 H LYS A 79 10.767 4.561 -5.810 1.00 72.33 H new ATOM 0 HA LYS A 79 8.918 2.816 -7.275 1.00 73.31 H new ATOM 0 HB2 LYS A 79 10.559 1.403 -8.118 1.00 35.41 H new ATOM 0 HB3 LYS A 79 11.290 2.975 -8.374 1.00 35.41 H new ATOM 0 HG2 LYS A 79 11.882 1.108 -6.049 1.00 4.02 H new ATOM 0 HG3 LYS A 79 12.901 1.345 -7.455 1.00 4.02 H new ATOM 0 HD2 LYS A 79 13.079 3.788 -6.858 1.00 51.54 H new ATOM 0 HD3 LYS A 79 12.159 3.467 -5.401 1.00 51.54 H new ATOM 0 HE2 LYS A 79 13.892 1.864 -4.640 1.00 51.11 H new ATOM 0 HE3 LYS A 79 14.804 2.134 -6.111 1.00 51.11 H new ATOM 0 HZ1 LYS A 79 15.209 3.478 -3.852 1.00 62.21 H new ATOM 0 HZ2 LYS A 79 15.571 4.106 -5.387 1.00 62.21 H new ATOM 0 HZ3 LYS A 79 14.120 4.535 -4.615 1.00 62.21 H new ATOM 1139 N ILE A 80 9.140 1.047 -5.404 1.00 33.34 N ATOM 1140 CA ILE A 80 8.979 0.273 -4.179 1.00 63.44 C ATOM 1141 C ILE A 80 10.282 -0.418 -3.790 1.00 75.20 C ATOM 1142 O ILE A 80 10.935 -1.049 -4.622 1.00 21.21 O ATOM 1143 CB ILE A 80 7.872 -0.787 -4.324 1.00 12.40 C ATOM 1144 CG1 ILE A 80 6.536 -0.118 -4.653 1.00 31.01 C ATOM 1145 CG2 ILE A 80 7.758 -1.612 -3.051 1.00 41.43 C ATOM 1146 CD1 ILE A 80 5.433 -1.099 -4.983 1.00 22.35 C ATOM 0 H ILE A 80 8.730 0.616 -6.233 1.00 33.34 H new ATOM 0 HA ILE A 80 8.696 0.977 -3.396 1.00 63.44 H new ATOM 0 HB ILE A 80 8.134 -1.455 -5.144 1.00 12.40 H new ATOM 0 HG12 ILE A 80 6.226 0.492 -3.805 1.00 31.01 H new ATOM 0 HG13 ILE A 80 6.675 0.557 -5.497 1.00 31.01 H new ATOM 0 HG21 ILE A 80 6.971 -2.357 -3.169 1.00 41.43 H new ATOM 0 HG22 ILE A 80 8.706 -2.113 -2.856 1.00 41.43 H new ATOM 0 HG23 ILE A 80 7.515 -0.958 -2.214 1.00 41.43 H new ATOM 0 HD11 ILE A 80 4.516 -0.554 -5.206 1.00 22.35 H new ATOM 0 HD12 ILE A 80 5.722 -1.693 -5.850 1.00 22.35 H new ATOM 0 HD13 ILE A 80 5.266 -1.758 -4.131 1.00 22.35 H new ATOM 1157 N LYS A 81 10.653 -0.298 -2.521 1.00 25.13 N ATOM 1158 CA LYS A 81 11.876 -0.914 -2.019 1.00 12.01 C ATOM 1159 C LYS A 81 11.994 -2.357 -2.499 1.00 23.04 C ATOM 1160 O LYS A 81 13.092 -2.845 -2.763 1.00 11.03 O ATOM 1161 CB LYS A 81 11.903 -0.870 -0.490 1.00 3.51 C ATOM 1162 CG LYS A 81 13.267 -1.181 0.104 1.00 41.32 C ATOM 1163 CD LYS A 81 13.332 -2.603 0.635 1.00 41.23 C ATOM 1164 CE LYS A 81 13.305 -2.631 2.156 1.00 54.41 C ATOM 1165 NZ LYS A 81 13.562 -3.997 2.690 1.00 33.40 N ATOM 0 H LYS A 81 10.124 0.221 -1.820 1.00 25.13 H new ATOM 0 HA LYS A 81 12.724 -0.350 -2.407 1.00 12.01 H new ATOM 0 HB2 LYS A 81 11.588 0.119 -0.158 1.00 3.51 H new ATOM 0 HB3 LYS A 81 11.176 -1.583 -0.101 1.00 3.51 H new ATOM 0 HG2 LYS A 81 14.036 -1.039 -0.655 1.00 41.32 H new ATOM 0 HG3 LYS A 81 13.482 -0.480 0.911 1.00 41.32 H new ATOM 0 HD2 LYS A 81 12.492 -3.177 0.244 1.00 41.23 H new ATOM 0 HD3 LYS A 81 14.242 -3.085 0.277 1.00 41.23 H new ATOM 0 HE2 LYS A 81 14.054 -1.942 2.545 1.00 54.41 H new ATOM 0 HE3 LYS A 81 12.335 -2.280 2.509 1.00 54.41 H new ATOM 0 HZ1 LYS A 81 13.535 -3.974 3.729 1.00 33.40 H new ATOM 0 HZ2 LYS A 81 12.832 -4.650 2.339 1.00 33.40 H new ATOM 0 HZ3 LYS A 81 14.498 -4.322 2.375 1.00 33.40 H new ATOM 1175 N GLY A 82 10.856 -3.035 -2.609 1.00 54.23 N ATOM 1176 CA GLY A 82 10.855 -4.415 -3.058 1.00 13.33 C ATOM 1177 C GLY A 82 10.670 -4.537 -4.558 1.00 41.12 C ATOM 1178 O GLY A 82 9.940 -5.408 -5.032 1.00 25.23 O ATOM 0 H GLY A 82 9.935 -2.653 -2.395 1.00 54.23 H new ATOM 0 HA2 GLY A 82 11.794 -4.888 -2.771 1.00 13.33 H new ATOM 0 HA3 GLY A 82 10.057 -4.958 -2.551 1.00 13.33 H new ATOM 1182 N CYS A 83 11.331 -3.661 -5.307 1.00 11.21 N ATOM 1183 CA CYS A 83 11.234 -3.673 -6.762 1.00 42.04 C ATOM 1184 C CYS A 83 12.229 -4.659 -7.365 1.00 11.43 C ATOM 1185 O CYS A 83 13.437 -4.575 -7.143 1.00 71.12 O ATOM 1186 CB CYS A 83 11.485 -2.271 -7.322 1.00 11.51 C ATOM 1187 SG CYS A 83 13.062 -1.546 -6.817 1.00 5.53 S ATOM 0 H CYS A 83 11.939 -2.934 -4.931 1.00 11.21 H new ATOM 0 HA CYS A 83 10.227 -3.990 -7.032 1.00 42.04 H new ATOM 0 HB2 CYS A 83 11.449 -2.314 -8.411 1.00 11.51 H new ATOM 0 HB3 CYS A 83 10.676 -1.614 -7.003 1.00 11.51 H new ATOM 0 HG CYS A 83 13.968 -2.476 -6.757 1.00 5.53 H new ATOM 1192 N PRO A 84 11.710 -5.619 -8.146 1.00 22.23 N ATOM 1193 CA PRO A 84 12.535 -6.641 -8.796 1.00 23.04 C ATOM 1194 C PRO A 84 13.400 -6.065 -9.911 1.00 64.11 C ATOM 1195 O PRO A 84 14.604 -6.318 -9.971 1.00 4.14 O ATOM 1196 CB PRO A 84 11.504 -7.618 -9.369 1.00 45.12 C ATOM 1197 CG PRO A 84 10.274 -6.800 -9.558 1.00 75.24 C ATOM 1198 CD PRO A 84 10.279 -5.779 -8.454 1.00 22.24 C ATOM 0 HA PRO A 84 13.237 -7.100 -8.100 1.00 23.04 H new ATOM 0 HB2 PRO A 84 11.844 -8.045 -10.312 1.00 45.12 H new ATOM 0 HB3 PRO A 84 11.326 -8.450 -8.688 1.00 45.12 H new ATOM 0 HG2 PRO A 84 10.273 -6.317 -10.535 1.00 75.24 H new ATOM 0 HG3 PRO A 84 9.381 -7.422 -9.509 1.00 75.24 H new ATOM 0 HD2 PRO A 84 9.829 -4.839 -8.773 1.00 22.24 H new ATOM 0 HD3 PRO A 84 9.717 -6.123 -7.586 1.00 22.24 H new ATOM 1203 N SER A 85 12.780 -5.289 -10.794 1.00 4.02 N ATOM 1204 CA SER A 85 13.494 -4.679 -11.910 1.00 2.41 C ATOM 1205 C SER A 85 13.694 -3.185 -11.676 1.00 42.15 C ATOM 1206 O SER A 85 14.480 -2.537 -12.367 1.00 54.32 O ATOM 1207 CB SER A 85 12.729 -4.904 -13.216 1.00 24.51 C ATOM 1208 OG SER A 85 13.462 -5.737 -14.098 1.00 33.42 O ATOM 0 H SER A 85 11.785 -5.068 -10.758 1.00 4.02 H new ATOM 0 HA SER A 85 14.473 -5.152 -11.984 1.00 2.41 H new ATOM 0 HB2 SER A 85 11.762 -5.358 -13.001 1.00 24.51 H new ATOM 0 HB3 SER A 85 12.532 -3.945 -13.696 1.00 24.51 H new ATOM 0 HG SER A 85 12.952 -5.867 -14.925 1.00 33.42 H new ATOM 1213 N GLU A 86 12.976 -2.645 -10.696 1.00 1.23 N ATOM 1214 CA GLU A 86 13.073 -1.226 -10.370 1.00 32.41 C ATOM 1215 C GLU A 86 12.540 -0.368 -11.514 1.00 3.44 C ATOM 1216 O GLU A 86 13.288 0.102 -12.372 1.00 15.24 O ATOM 1217 CB GLU A 86 14.525 -0.848 -10.068 1.00 31.42 C ATOM 1218 CG GLU A 86 15.298 -1.934 -9.340 1.00 23.42 C ATOM 1219 CD GLU A 86 16.212 -1.379 -8.265 1.00 30.45 C ATOM 1220 OE1 GLU A 86 15.824 -0.390 -7.609 1.00 22.02 O ATOM 1221 OE2 GLU A 86 17.316 -1.934 -8.080 1.00 14.04 O ATOM 0 H GLU A 86 12.321 -3.168 -10.114 1.00 1.23 H new ATOM 0 HA GLU A 86 12.465 -1.040 -9.485 1.00 32.41 H new ATOM 0 HB2 GLU A 86 15.034 -0.617 -11.004 1.00 31.42 H new ATOM 0 HB3 GLU A 86 14.537 0.061 -9.466 1.00 31.42 H new ATOM 0 HG2 GLU A 86 14.595 -2.634 -8.888 1.00 23.42 H new ATOM 0 HG3 GLU A 86 15.891 -2.498 -10.060 1.00 23.42 H new ATOM 1226 N PRO A 87 11.216 -0.159 -11.527 1.00 54.22 N ATOM 1227 CA PRO A 87 10.551 0.643 -12.559 1.00 51.33 C ATOM 1228 C PRO A 87 10.884 2.126 -12.443 1.00 55.55 C ATOM 1229 O PRO A 87 11.192 2.783 -13.438 1.00 51.13 O ATOM 1230 CB PRO A 87 9.064 0.405 -12.290 1.00 54.20 C ATOM 1231 CG PRO A 87 8.992 0.051 -10.845 1.00 14.14 C ATOM 1232 CD PRO A 87 10.264 -0.689 -10.537 1.00 2.32 C ATOM 0 HA PRO A 87 10.866 0.359 -13.563 1.00 51.33 H new ATOM 0 HB2 PRO A 87 8.475 1.295 -12.509 1.00 54.20 H new ATOM 0 HB3 PRO A 87 8.672 -0.398 -12.914 1.00 54.20 H new ATOM 0 HG2 PRO A 87 8.901 0.945 -10.228 1.00 14.14 H new ATOM 0 HG3 PRO A 87 8.120 -0.569 -10.638 1.00 14.14 H new ATOM 0 HD2 PRO A 87 10.600 -0.503 -9.517 1.00 2.32 H new ATOM 0 HD3 PRO A 87 10.137 -1.767 -10.639 1.00 2.32 H new ATOM 1237 N TYR A 88 10.818 2.649 -11.223 1.00 62.33 N ATOM 1238 CA TYR A 88 11.110 4.056 -10.978 1.00 43.13 C ATOM 1239 C TYR A 88 10.155 4.955 -11.757 1.00 74.01 C ATOM 1240 O TYR A 88 10.473 5.418 -12.853 1.00 50.51 O ATOM 1241 CB TYR A 88 12.556 4.374 -11.364 1.00 73.33 C ATOM 1242 CG TYR A 88 13.544 4.164 -10.240 1.00 3.40 C ATOM 1243 CD1 TYR A 88 14.127 2.922 -10.024 1.00 4.54 C ATOM 1244 CD2 TYR A 88 13.894 5.209 -9.393 1.00 21.33 C ATOM 1245 CE1 TYR A 88 15.029 2.726 -8.996 1.00 12.04 C ATOM 1246 CE2 TYR A 88 14.797 5.022 -8.364 1.00 71.45 C ATOM 1247 CZ TYR A 88 15.362 3.779 -8.169 1.00 54.34 C ATOM 1248 OH TYR A 88 16.261 3.588 -7.146 1.00 44.20 O ATOM 0 H TYR A 88 10.565 2.119 -10.389 1.00 62.33 H new ATOM 0 HA TYR A 88 10.974 4.248 -9.914 1.00 43.13 H new ATOM 0 HB2 TYR A 88 12.843 3.749 -12.210 1.00 73.33 H new ATOM 0 HB3 TYR A 88 12.614 5.410 -11.699 1.00 73.33 H new ATOM 0 HD1 TYR A 88 13.871 2.096 -10.670 1.00 4.54 H new ATOM 0 HD2 TYR A 88 13.453 6.183 -9.542 1.00 21.33 H new ATOM 0 HE1 TYR A 88 15.471 1.753 -8.840 1.00 12.04 H new ATOM 0 HE2 TYR A 88 15.059 5.845 -7.716 1.00 71.45 H new ATOM 0 HH TYR A 88 16.745 4.423 -6.975 1.00 44.20 H new ATOM 1257 N PHE A 89 8.980 5.197 -11.182 1.00 70.44 N ATOM 1258 CA PHE A 89 7.977 6.041 -11.822 1.00 13.33 C ATOM 1259 C PHE A 89 8.227 7.513 -11.513 1.00 61.34 C ATOM 1260 O PHE A 89 9.263 7.875 -10.958 1.00 44.21 O ATOM 1261 CB PHE A 89 6.575 5.641 -11.356 1.00 71.12 C ATOM 1262 CG PHE A 89 6.262 4.188 -11.572 1.00 41.24 C ATOM 1263 CD1 PHE A 89 6.612 3.242 -10.622 1.00 72.34 C ATOM 1264 CD2 PHE A 89 5.619 3.768 -12.725 1.00 54.02 C ATOM 1265 CE1 PHE A 89 6.326 1.905 -10.819 1.00 10.12 C ATOM 1266 CE2 PHE A 89 5.329 2.432 -12.927 1.00 25.51 C ATOM 1267 CZ PHE A 89 5.683 1.498 -11.972 1.00 44.14 C ATOM 0 H PHE A 89 8.700 4.821 -10.276 1.00 70.44 H new ATOM 0 HA PHE A 89 8.050 5.898 -12.900 1.00 13.33 H new ATOM 0 HB2 PHE A 89 6.474 5.872 -10.296 1.00 71.12 H new ATOM 0 HB3 PHE A 89 5.839 6.245 -11.886 1.00 71.12 H new ATOM 0 HD1 PHE A 89 7.114 3.553 -9.718 1.00 72.34 H new ATOM 0 HD2 PHE A 89 5.341 4.494 -13.475 1.00 54.02 H new ATOM 0 HE1 PHE A 89 6.605 1.177 -10.071 1.00 10.12 H new ATOM 0 HE2 PHE A 89 4.826 2.118 -13.830 1.00 25.51 H new ATOM 0 HZ PHE A 89 5.458 0.453 -12.127 1.00 44.14 H new ATOM 1276 N GLY A 90 7.269 8.360 -11.880 1.00 30.11 N ATOM 1277 CA GLY A 90 7.404 9.784 -11.636 1.00 24.24 C ATOM 1278 C GLY A 90 7.128 10.154 -10.191 1.00 75.32 C ATOM 1279 O GLY A 90 8.026 10.593 -9.474 1.00 44.55 O ATOM 0 H GLY A 90 6.402 8.085 -12.342 1.00 30.11 H new ATOM 0 HA2 GLY A 90 8.412 10.101 -11.903 1.00 24.24 H new ATOM 0 HA3 GLY A 90 6.717 10.327 -12.285 1.00 24.24 H new ATOM 1283 N SER A 91 5.882 9.975 -9.765 1.00 52.14 N ATOM 1284 CA SER A 91 5.488 10.298 -8.399 1.00 52.24 C ATOM 1285 C SER A 91 4.619 9.193 -7.808 1.00 32.24 C ATOM 1286 O SER A 91 4.276 8.225 -8.489 1.00 31.40 O ATOM 1287 CB SER A 91 4.732 11.629 -8.364 1.00 71.40 C ATOM 1288 OG SER A 91 5.538 12.658 -7.817 1.00 62.12 O ATOM 0 H SER A 91 5.128 9.608 -10.346 1.00 52.14 H new ATOM 0 HA SER A 91 6.393 10.386 -7.798 1.00 52.24 H new ATOM 0 HB2 SER A 91 4.423 11.902 -9.373 1.00 71.40 H new ATOM 0 HB3 SER A 91 3.824 11.520 -7.771 1.00 71.40 H new ATOM 0 HG SER A 91 5.034 13.498 -7.807 1.00 62.12 H new ATOM 1293 N LEU A 92 4.267 9.342 -6.537 1.00 2.44 N ATOM 1294 CA LEU A 92 3.437 8.355 -5.851 1.00 63.54 C ATOM 1295 C LEU A 92 2.157 8.082 -6.634 1.00 65.31 C ATOM 1296 O LEU A 92 1.678 6.950 -6.684 1.00 4.33 O ATOM 1297 CB LEU A 92 3.093 8.841 -4.442 1.00 3.14 C ATOM 1298 CG LEU A 92 4.110 8.506 -3.349 1.00 71.24 C ATOM 1299 CD1 LEU A 92 4.753 9.776 -2.813 1.00 14.23 C ATOM 1300 CD2 LEU A 92 3.447 7.725 -2.225 1.00 74.25 C ATOM 0 H LEU A 92 4.542 10.136 -5.959 1.00 2.44 H new ATOM 0 HA LEU A 92 4.003 7.426 -5.780 1.00 63.54 H new ATOM 0 HB2 LEU A 92 2.967 9.923 -4.473 1.00 3.14 H new ATOM 0 HB3 LEU A 92 2.131 8.416 -4.158 1.00 3.14 H new ATOM 0 HG LEU A 92 4.892 7.883 -3.784 1.00 71.24 H new ATOM 0 HD11 LEU A 92 5.474 9.519 -2.037 1.00 14.23 H new ATOM 0 HD12 LEU A 92 5.263 10.296 -3.624 1.00 14.23 H new ATOM 0 HD13 LEU A 92 3.984 10.424 -2.394 1.00 14.23 H new ATOM 0 HD21 LEU A 92 4.185 7.495 -1.457 1.00 74.25 H new ATOM 0 HD22 LEU A 92 2.645 8.322 -1.791 1.00 74.25 H new ATOM 0 HD23 LEU A 92 3.035 6.797 -2.621 1.00 74.25 H new ATOM 1311 N SER A 93 1.611 9.127 -7.247 1.00 54.33 N ATOM 1312 CA SER A 93 0.385 9.000 -8.028 1.00 10.45 C ATOM 1313 C SER A 93 0.636 8.215 -9.311 1.00 22.31 C ATOM 1314 O SER A 93 -0.224 7.468 -9.773 1.00 33.33 O ATOM 1315 CB SER A 93 -0.177 10.383 -8.363 1.00 74.51 C ATOM 1316 OG SER A 93 -1.592 10.388 -8.302 1.00 72.32 O ATOM 0 H SER A 93 1.997 10.071 -7.218 1.00 54.33 H new ATOM 0 HA SER A 93 -0.344 8.456 -7.428 1.00 10.45 H new ATOM 0 HB2 SER A 93 0.223 11.120 -7.666 1.00 74.51 H new ATOM 0 HB3 SER A 93 0.148 10.679 -9.360 1.00 74.51 H new ATOM 0 HG SER A 93 -1.926 11.284 -8.518 1.00 72.32 H new ATOM 1321 N ALA A 94 1.824 8.392 -9.882 1.00 43.12 N ATOM 1322 CA ALA A 94 2.192 7.699 -11.111 1.00 51.31 C ATOM 1323 C ALA A 94 2.309 6.197 -10.879 1.00 62.53 C ATOM 1324 O ALA A 94 1.802 5.396 -11.666 1.00 62.23 O ATOM 1325 CB ALA A 94 3.498 8.256 -11.659 1.00 34.03 C ATOM 0 H ALA A 94 2.547 9.009 -9.513 1.00 43.12 H new ATOM 0 HA ALA A 94 1.403 7.866 -11.845 1.00 51.31 H new ATOM 0 HB1 ALA A 94 3.761 7.730 -12.577 1.00 34.03 H new ATOM 0 HB2 ALA A 94 3.380 9.319 -11.871 1.00 34.03 H new ATOM 0 HB3 ALA A 94 4.290 8.119 -10.922 1.00 34.03 H new ATOM 1331 N LEU A 95 2.981 5.821 -9.797 1.00 31.54 N ATOM 1332 CA LEU A 95 3.167 4.412 -9.464 1.00 14.31 C ATOM 1333 C LEU A 95 1.862 3.793 -8.971 1.00 43.14 C ATOM 1334 O LEU A 95 1.609 2.606 -9.176 1.00 31.22 O ATOM 1335 CB LEU A 95 4.251 4.259 -8.396 1.00 70.11 C ATOM 1336 CG LEU A 95 4.079 5.111 -7.137 1.00 21.44 C ATOM 1337 CD1 LEU A 95 3.184 4.402 -6.133 1.00 13.10 C ATOM 1338 CD2 LEU A 95 5.434 5.426 -6.518 1.00 54.32 C ATOM 0 H LEU A 95 3.406 6.471 -9.135 1.00 31.54 H new ATOM 0 HA LEU A 95 3.479 3.888 -10.368 1.00 14.31 H new ATOM 0 HB2 LEU A 95 4.294 3.211 -8.098 1.00 70.11 H new ATOM 0 HB3 LEU A 95 5.213 4.502 -8.846 1.00 70.11 H new ATOM 0 HG LEU A 95 3.603 6.050 -7.418 1.00 21.44 H new ATOM 0 HD11 LEU A 95 3.072 5.022 -5.244 1.00 13.10 H new ATOM 0 HD12 LEU A 95 2.205 4.227 -6.579 1.00 13.10 H new ATOM 0 HD13 LEU A 95 3.632 3.448 -5.856 1.00 13.10 H new ATOM 0 HD21 LEU A 95 5.293 6.033 -5.623 1.00 54.32 H new ATOM 0 HD22 LEU A 95 5.937 4.497 -6.251 1.00 54.32 H new ATOM 0 HD23 LEU A 95 6.043 5.975 -7.236 1.00 54.32 H new ATOM 1349 N VAL A 96 1.036 4.607 -8.322 1.00 11.45 N ATOM 1350 CA VAL A 96 -0.245 4.140 -7.803 1.00 3.13 C ATOM 1351 C VAL A 96 -1.218 3.833 -8.935 1.00 14.11 C ATOM 1352 O VAL A 96 -1.936 2.833 -8.898 1.00 64.21 O ATOM 1353 CB VAL A 96 -0.882 5.180 -6.862 1.00 4.52 C ATOM 1354 CG1 VAL A 96 -2.392 5.006 -6.816 1.00 11.05 C ATOM 1355 CG2 VAL A 96 -0.282 5.074 -5.468 1.00 10.43 C ATOM 0 H VAL A 96 1.230 5.592 -8.143 1.00 11.45 H new ATOM 0 HA VAL A 96 -0.045 3.227 -7.242 1.00 3.13 H new ATOM 0 HB VAL A 96 -0.668 6.175 -7.251 1.00 4.52 H new ATOM 0 HG11 VAL A 96 -2.824 5.750 -6.146 1.00 11.05 H new ATOM 0 HG12 VAL A 96 -2.804 5.136 -7.817 1.00 11.05 H new ATOM 0 HG13 VAL A 96 -2.632 4.007 -6.452 1.00 11.05 H new ATOM 0 HG21 VAL A 96 -0.743 5.816 -4.816 1.00 10.43 H new ATOM 0 HG22 VAL A 96 -0.464 4.076 -5.068 1.00 10.43 H new ATOM 0 HG23 VAL A 96 0.792 5.254 -5.519 1.00 10.43 H new ATOM 1365 N SER A 97 -1.237 4.700 -9.943 1.00 3.21 N ATOM 1366 CA SER A 97 -2.125 4.523 -11.086 1.00 73.12 C ATOM 1367 C SER A 97 -1.654 3.370 -11.967 1.00 12.33 C ATOM 1368 O SER A 97 -2.462 2.593 -12.474 1.00 42.32 O ATOM 1369 CB SER A 97 -2.196 5.811 -11.908 1.00 65.15 C ATOM 1370 OG SER A 97 -3.264 5.766 -12.838 1.00 42.14 O ATOM 0 H SER A 97 -0.648 5.531 -9.991 1.00 3.21 H new ATOM 0 HA SER A 97 -3.120 4.286 -10.708 1.00 73.12 H new ATOM 0 HB2 SER A 97 -2.326 6.664 -11.242 1.00 65.15 H new ATOM 0 HB3 SER A 97 -1.255 5.960 -12.438 1.00 65.15 H new ATOM 0 HG SER A 97 -3.288 6.602 -13.349 1.00 42.14 H new ATOM 1375 N GLN A 98 -0.341 3.267 -12.143 1.00 20.44 N ATOM 1376 CA GLN A 98 0.239 2.210 -12.963 1.00 33.24 C ATOM 1377 C GLN A 98 0.147 0.861 -12.256 1.00 1.02 C ATOM 1378 O GLN A 98 0.041 -0.183 -12.900 1.00 24.35 O ATOM 1379 CB GLN A 98 1.698 2.530 -13.289 1.00 30.33 C ATOM 1380 CG GLN A 98 1.863 3.525 -14.426 1.00 25.12 C ATOM 1381 CD GLN A 98 1.636 2.900 -15.787 1.00 55.44 C ATOM 1382 OE1 GLN A 98 0.698 2.125 -15.978 1.00 14.22 O ATOM 1383 NE2 GLN A 98 2.493 3.235 -16.744 1.00 23.24 N ATOM 0 H GLN A 98 0.341 3.902 -11.729 1.00 20.44 H new ATOM 0 HA GLN A 98 -0.328 2.153 -13.892 1.00 33.24 H new ATOM 0 HB2 GLN A 98 2.182 2.927 -12.397 1.00 30.33 H new ATOM 0 HB3 GLN A 98 2.215 1.606 -13.548 1.00 30.33 H new ATOM 0 HG2 GLN A 98 1.162 4.348 -14.287 1.00 25.12 H new ATOM 0 HG3 GLN A 98 2.866 3.950 -14.389 1.00 25.12 H new ATOM 0 HE21 GLN A 98 3.256 3.881 -16.542 1.00 23.24 H new ATOM 0 HE22 GLN A 98 2.388 2.846 -17.681 1.00 23.24 H new ATOM 1390 N HIS A 99 0.189 0.890 -10.928 1.00 70.11 N ATOM 1391 CA HIS A 99 0.111 -0.331 -10.133 1.00 43.22 C ATOM 1392 C HIS A 99 -1.297 -0.917 -10.175 1.00 44.34 C ATOM 1393 O HIS A 99 -1.526 -2.040 -9.728 1.00 30.43 O ATOM 1394 CB HIS A 99 0.515 -0.049 -8.686 1.00 63.40 C ATOM 1395 CG HIS A 99 1.991 -0.152 -8.446 1.00 52.32 C ATOM 1396 ND1 HIS A 99 2.912 -0.282 -9.465 1.00 3.51 N ATOM 1397 CD2 HIS A 99 2.704 -0.141 -7.296 1.00 42.42 C ATOM 1398 CE1 HIS A 99 4.126 -0.349 -8.950 1.00 24.41 C ATOM 1399 NE2 HIS A 99 4.028 -0.265 -7.636 1.00 40.21 N ATOM 0 H HIS A 99 0.277 1.745 -10.379 1.00 70.11 H new ATOM 0 HA HIS A 99 0.802 -1.058 -10.560 1.00 43.22 H new ATOM 0 HB2 HIS A 99 0.179 0.951 -8.412 1.00 63.40 H new ATOM 0 HB3 HIS A 99 -0.001 -0.750 -8.030 1.00 63.40 H new ATOM 0 HD1 HIS A 99 2.690 -0.320 -10.460 1.00 3.51 H new ATOM 0 HD2 HIS A 99 2.305 -0.051 -6.296 1.00 42.42 H new ATOM 0 HE1 HIS A 99 5.044 -0.455 -9.509 1.00 24.41 H new ATOM 1406 N SER A 100 -2.238 -0.146 -10.713 1.00 73.10 N ATOM 1407 CA SER A 100 -3.624 -0.587 -10.809 1.00 11.23 C ATOM 1408 C SER A 100 -3.918 -1.161 -12.191 1.00 75.44 C ATOM 1409 O SER A 100 -5.054 -1.528 -12.495 1.00 63.42 O ATOM 1410 CB SER A 100 -4.574 0.576 -10.515 1.00 61.44 C ATOM 1411 OG SER A 100 -4.079 1.383 -9.460 1.00 10.52 O ATOM 0 H SER A 100 -2.065 0.786 -11.089 1.00 73.10 H new ATOM 0 HA SER A 100 -3.781 -1.371 -10.068 1.00 11.23 H new ATOM 0 HB2 SER A 100 -4.701 1.182 -11.412 1.00 61.44 H new ATOM 0 HB3 SER A 100 -5.558 0.188 -10.250 1.00 61.44 H new ATOM 0 HG SER A 100 -3.298 1.886 -9.772 1.00 10.52 H new ATOM 1416 N ILE A 101 -2.886 -1.236 -13.025 1.00 31.31 N ATOM 1417 CA ILE A 101 -3.031 -1.766 -14.375 1.00 75.12 C ATOM 1418 C ILE A 101 -1.927 -2.768 -14.696 1.00 1.55 C ATOM 1419 O ILE A 101 -2.161 -3.772 -15.368 1.00 60.53 O ATOM 1420 CB ILE A 101 -3.010 -0.642 -15.427 1.00 43.43 C ATOM 1421 CG1 ILE A 101 -4.130 0.365 -15.154 1.00 0.15 C ATOM 1422 CG2 ILE A 101 -3.143 -1.223 -16.827 1.00 24.32 C ATOM 1423 CD1 ILE A 101 -3.641 1.788 -15.008 1.00 43.21 C ATOM 0 H ILE A 101 -1.940 -0.936 -12.789 1.00 31.31 H new ATOM 0 HA ILE A 101 -3.997 -2.270 -14.412 1.00 75.12 H new ATOM 0 HB ILE A 101 -2.055 -0.121 -15.360 1.00 43.43 H new ATOM 0 HG12 ILE A 101 -4.854 0.320 -15.967 1.00 0.15 H new ATOM 0 HG13 ILE A 101 -4.655 0.075 -14.244 1.00 0.15 H new ATOM 0 HG21 ILE A 101 -3.126 -0.416 -17.559 1.00 24.32 H new ATOM 0 HG22 ILE A 101 -2.314 -1.904 -17.019 1.00 24.32 H new ATOM 0 HG23 ILE A 101 -4.084 -1.766 -16.907 1.00 24.32 H new ATOM 0 HD11 ILE A 101 -4.488 2.446 -14.816 1.00 43.21 H new ATOM 0 HD12 ILE A 101 -2.939 1.848 -14.176 1.00 43.21 H new ATOM 0 HD13 ILE A 101 -3.142 2.097 -15.926 1.00 43.21 H new ATOM 1434 N SER A 102 -0.723 -2.489 -14.206 1.00 63.30 N ATOM 1435 CA SER A 102 0.419 -3.364 -14.441 1.00 3.01 C ATOM 1436 C SER A 102 1.331 -3.407 -13.219 1.00 71.43 C ATOM 1437 O SER A 102 2.399 -2.794 -13.187 1.00 54.34 O ATOM 1438 CB SER A 102 1.208 -2.891 -15.665 1.00 1.24 C ATOM 1439 OG SER A 102 0.391 -2.873 -16.821 1.00 34.40 O ATOM 0 H SER A 102 -0.514 -1.664 -13.644 1.00 63.30 H new ATOM 0 HA SER A 102 0.042 -4.370 -14.627 1.00 3.01 H new ATOM 0 HB2 SER A 102 1.606 -1.893 -15.482 1.00 1.24 H new ATOM 0 HB3 SER A 102 2.061 -3.550 -15.829 1.00 1.24 H new ATOM 0 HG SER A 102 0.917 -2.566 -17.589 1.00 34.40 H new ATOM 1444 N PRO A 103 0.903 -4.149 -12.187 1.00 70.40 N ATOM 1445 CA PRO A 103 1.665 -4.291 -10.943 1.00 34.52 C ATOM 1446 C PRO A 103 2.936 -5.112 -11.134 1.00 3.22 C ATOM 1447 O PRO A 103 2.908 -6.187 -11.735 1.00 64.12 O ATOM 1448 CB PRO A 103 0.693 -5.019 -10.012 1.00 54.13 C ATOM 1449 CG PRO A 103 -0.223 -5.760 -10.924 1.00 73.44 C ATOM 1450 CD PRO A 103 -0.359 -4.908 -12.157 1.00 11.23 C ATOM 0 HA PRO A 103 2.003 -3.328 -10.559 1.00 34.52 H new ATOM 0 HB2 PRO A 103 1.220 -5.699 -9.343 1.00 54.13 H new ATOM 0 HB3 PRO A 103 0.144 -4.316 -9.385 1.00 54.13 H new ATOM 0 HG2 PRO A 103 0.182 -6.741 -11.171 1.00 73.44 H new ATOM 0 HG3 PRO A 103 -1.193 -5.924 -10.454 1.00 73.44 H new ATOM 0 HD2 PRO A 103 -0.484 -5.515 -13.053 1.00 11.23 H new ATOM 0 HD3 PRO A 103 -1.224 -4.248 -12.096 1.00 11.23 H new ATOM 1455 N ILE A 104 4.048 -4.600 -10.617 1.00 1.23 N ATOM 1456 CA ILE A 104 5.329 -5.288 -10.728 1.00 73.02 C ATOM 1457 C ILE A 104 5.593 -6.160 -9.506 1.00 41.13 C ATOM 1458 O ILE A 104 5.550 -7.388 -9.585 1.00 13.32 O ATOM 1459 CB ILE A 104 6.491 -4.291 -10.894 1.00 50.21 C ATOM 1460 CG1 ILE A 104 6.274 -3.423 -12.136 1.00 10.14 C ATOM 1461 CG2 ILE A 104 7.816 -5.032 -10.984 1.00 51.24 C ATOM 1462 CD1 ILE A 104 5.548 -2.127 -11.849 1.00 23.34 C ATOM 0 H ILE A 104 4.088 -3.712 -10.117 1.00 1.23 H new ATOM 0 HA ILE A 104 5.272 -5.918 -11.615 1.00 73.02 H new ATOM 0 HB ILE A 104 6.520 -3.641 -10.020 1.00 50.21 H new ATOM 0 HG12 ILE A 104 7.241 -3.196 -12.584 1.00 10.14 H new ATOM 0 HG13 ILE A 104 5.707 -3.992 -12.872 1.00 10.14 H new ATOM 0 HG21 ILE A 104 8.627 -4.314 -11.101 1.00 51.24 H new ATOM 0 HG22 ILE A 104 7.972 -5.610 -10.073 1.00 51.24 H new ATOM 0 HG23 ILE A 104 7.800 -5.704 -11.842 1.00 51.24 H new ATOM 0 HD11 ILE A 104 5.430 -1.564 -12.775 1.00 23.34 H new ATOM 0 HD12 ILE A 104 4.566 -2.345 -11.429 1.00 23.34 H new ATOM 0 HD13 ILE A 104 6.124 -1.537 -11.136 1.00 23.34 H new ATOM 1473 N SER A 105 5.866 -5.517 -8.374 1.00 53.14 N ATOM 1474 CA SER A 105 6.139 -6.234 -7.135 1.00 45.42 C ATOM 1475 C SER A 105 4.876 -6.358 -6.289 1.00 55.31 C ATOM 1476 O SER A 105 4.927 -6.296 -5.060 1.00 32.32 O ATOM 1477 CB SER A 105 7.231 -5.518 -6.337 1.00 41.02 C ATOM 1478 OG SER A 105 6.734 -4.331 -5.744 1.00 3.43 O ATOM 0 H SER A 105 5.904 -4.501 -8.291 1.00 53.14 H new ATOM 0 HA SER A 105 6.483 -7.236 -7.393 1.00 45.42 H new ATOM 0 HB2 SER A 105 7.614 -6.182 -5.562 1.00 41.02 H new ATOM 0 HB3 SER A 105 8.067 -5.278 -6.994 1.00 41.02 H new ATOM 0 HG SER A 105 7.450 -3.893 -5.238 1.00 3.43 H new ATOM 1483 N LEU A 106 3.740 -6.535 -6.957 1.00 41.55 N ATOM 1484 CA LEU A 106 2.460 -6.667 -6.268 1.00 23.43 C ATOM 1485 C LEU A 106 1.720 -7.917 -6.733 1.00 11.03 C ATOM 1486 O LEU A 106 1.991 -8.468 -7.800 1.00 11.05 O ATOM 1487 CB LEU A 106 1.597 -5.428 -6.511 1.00 34.34 C ATOM 1488 CG LEU A 106 2.331 -4.187 -7.016 1.00 60.02 C ATOM 1489 CD1 LEU A 106 1.340 -3.095 -7.391 1.00 33.14 C ATOM 1490 CD2 LEU A 106 3.310 -3.682 -5.965 1.00 34.23 C ATOM 0 H LEU A 106 3.679 -6.590 -7.974 1.00 41.55 H new ATOM 0 HA LEU A 106 2.657 -6.759 -5.200 1.00 23.43 H new ATOM 0 HB2 LEU A 106 0.822 -5.686 -7.233 1.00 34.34 H new ATOM 0 HB3 LEU A 106 1.093 -5.173 -5.579 1.00 34.34 H new ATOM 0 HG LEU A 106 2.894 -4.460 -7.908 1.00 60.02 H new ATOM 0 HD11 LEU A 106 1.882 -2.219 -7.748 1.00 33.14 H new ATOM 0 HD12 LEU A 106 0.678 -3.458 -8.177 1.00 33.14 H new ATOM 0 HD13 LEU A 106 0.749 -2.824 -6.516 1.00 33.14 H new ATOM 0 HD21 LEU A 106 3.824 -2.798 -6.342 1.00 34.23 H new ATOM 0 HD22 LEU A 106 2.767 -3.426 -5.055 1.00 34.23 H new ATOM 0 HD23 LEU A 106 4.041 -4.460 -5.745 1.00 34.23 H new ATOM 1501 N PRO A 107 0.761 -8.376 -5.915 1.00 13.31 N ATOM 1502 CA PRO A 107 -0.040 -9.564 -6.222 1.00 13.22 C ATOM 1503 C PRO A 107 -1.004 -9.330 -7.381 1.00 42.03 C ATOM 1504 O PRO A 107 -1.186 -10.199 -8.235 1.00 42.50 O ATOM 1505 CB PRO A 107 -0.814 -9.815 -4.926 1.00 14.34 C ATOM 1506 CG PRO A 107 -0.889 -8.482 -4.265 1.00 1.11 C ATOM 1507 CD PRO A 107 0.385 -7.769 -4.627 1.00 72.31 C ATOM 0 HA PRO A 107 0.581 -10.404 -6.534 1.00 13.22 H new ATOM 0 HB2 PRO A 107 -1.808 -10.212 -5.129 1.00 14.34 H new ATOM 0 HB3 PRO A 107 -0.303 -10.542 -4.294 1.00 14.34 H new ATOM 0 HG2 PRO A 107 -1.760 -7.924 -4.609 1.00 1.11 H new ATOM 0 HG3 PRO A 107 -0.984 -8.587 -3.184 1.00 1.11 H new ATOM 0 HD2 PRO A 107 0.232 -6.694 -4.719 1.00 72.31 H new ATOM 0 HD3 PRO A 107 1.157 -7.917 -3.872 1.00 72.31 H new ATOM 1512 N CYS A 108 -1.616 -8.151 -7.406 1.00 31.02 N ATOM 1513 CA CYS A 108 -2.562 -7.803 -8.460 1.00 53.13 C ATOM 1514 C CYS A 108 -2.797 -6.296 -8.503 1.00 35.23 C ATOM 1515 O CYS A 108 -2.393 -5.569 -7.596 1.00 64.34 O ATOM 1516 CB CYS A 108 -3.889 -8.534 -8.246 1.00 45.44 C ATOM 1517 SG CYS A 108 -4.443 -9.491 -9.676 1.00 11.52 S ATOM 0 H CYS A 108 -1.474 -7.420 -6.709 1.00 31.02 H new ATOM 0 HA CYS A 108 -2.136 -8.113 -9.414 1.00 53.13 H new ATOM 0 HB2 CYS A 108 -3.789 -9.203 -7.391 1.00 45.44 H new ATOM 0 HB3 CYS A 108 -4.657 -7.804 -7.991 1.00 45.44 H new ATOM 0 HG CYS A 108 -5.571 -10.074 -9.397 1.00 11.52 H new ATOM 1522 N CYS A 109 -3.454 -5.836 -9.562 1.00 34.51 N ATOM 1523 CA CYS A 109 -3.741 -4.416 -9.725 1.00 61.04 C ATOM 1524 C CYS A 109 -4.387 -3.844 -8.468 1.00 10.42 C ATOM 1525 O CYS A 109 -5.372 -4.384 -7.962 1.00 74.12 O ATOM 1526 CB CYS A 109 -4.658 -4.195 -10.930 1.00 2.02 C ATOM 1527 SG CYS A 109 -6.108 -5.274 -10.962 1.00 21.12 S ATOM 0 H CYS A 109 -3.798 -6.426 -10.320 1.00 34.51 H new ATOM 0 HA CYS A 109 -2.798 -3.897 -9.895 1.00 61.04 H new ATOM 0 HB2 CYS A 109 -4.991 -3.157 -10.934 1.00 2.02 H new ATOM 0 HB3 CYS A 109 -4.083 -4.349 -11.843 1.00 2.02 H new ATOM 0 HG CYS A 109 -6.552 -5.440 -9.752 1.00 21.12 H new ATOM 1532 N LEU A 110 -3.826 -2.750 -7.966 1.00 42.13 N ATOM 1533 CA LEU A 110 -4.346 -2.104 -6.766 1.00 13.41 C ATOM 1534 C LEU A 110 -5.594 -1.288 -7.084 1.00 51.22 C ATOM 1535 O LEU A 110 -5.620 -0.526 -8.050 1.00 45.24 O ATOM 1536 CB LEU A 110 -3.278 -1.203 -6.143 1.00 53.12 C ATOM 1537 CG LEU A 110 -1.831 -1.678 -6.289 1.00 13.43 C ATOM 1538 CD1 LEU A 110 -0.882 -0.714 -5.596 1.00 22.31 C ATOM 1539 CD2 LEU A 110 -1.673 -3.083 -5.726 1.00 3.05 C ATOM 0 H LEU A 110 -3.010 -2.291 -8.372 1.00 42.13 H new ATOM 0 HA LEU A 110 -4.616 -2.883 -6.053 1.00 13.41 H new ATOM 0 HB2 LEU A 110 -3.361 -0.212 -6.590 1.00 53.12 H new ATOM 0 HB3 LEU A 110 -3.498 -1.093 -5.081 1.00 53.12 H new ATOM 0 HG LEU A 110 -1.581 -1.703 -7.350 1.00 13.43 H new ATOM 0 HD11 LEU A 110 0.143 -1.067 -5.710 1.00 22.31 H new ATOM 0 HD12 LEU A 110 -0.977 0.275 -6.044 1.00 22.31 H new ATOM 0 HD13 LEU A 110 -1.131 -0.657 -4.536 1.00 22.31 H new ATOM 0 HD21 LEU A 110 -0.638 -3.406 -5.838 1.00 3.05 H new ATOM 0 HD22 LEU A 110 -1.941 -3.084 -4.670 1.00 3.05 H new ATOM 0 HD23 LEU A 110 -2.327 -3.767 -6.267 1.00 3.05 H new ATOM 1550 N ARG A 111 -6.627 -1.450 -6.263 1.00 32.33 N ATOM 1551 CA ARG A 111 -7.878 -0.728 -6.456 1.00 1.50 C ATOM 1552 C ARG A 111 -7.729 0.735 -6.048 1.00 0.10 C ATOM 1553 O ARG A 111 -7.249 1.039 -4.955 1.00 75.43 O ATOM 1554 CB ARG A 111 -9.000 -1.382 -5.648 1.00 3.31 C ATOM 1555 CG ARG A 111 -10.210 -1.763 -6.484 1.00 55.22 C ATOM 1556 CD ARG A 111 -9.864 -2.824 -7.516 1.00 30.42 C ATOM 1557 NE ARG A 111 -10.499 -4.105 -7.220 1.00 25.35 N ATOM 1558 CZ ARG A 111 -10.129 -5.254 -7.773 1.00 22.45 C ATOM 1559 NH1 ARG A 111 -9.131 -5.283 -8.646 1.00 13.31 N ATOM 1560 NH2 ARG A 111 -10.755 -6.379 -7.452 1.00 52.42 N ATOM 0 H ARG A 111 -6.621 -2.076 -5.457 1.00 32.33 H new ATOM 0 HA ARG A 111 -8.132 -0.769 -7.515 1.00 1.50 H new ATOM 0 HB2 ARG A 111 -8.611 -2.275 -5.159 1.00 3.31 H new ATOM 0 HB3 ARG A 111 -9.314 -0.698 -4.859 1.00 3.31 H new ATOM 0 HG2 ARG A 111 -11.002 -2.133 -5.832 1.00 55.22 H new ATOM 0 HG3 ARG A 111 -10.599 -0.878 -6.987 1.00 55.22 H new ATOM 0 HD2 ARG A 111 -10.177 -2.484 -8.503 1.00 30.42 H new ATOM 0 HD3 ARG A 111 -8.783 -2.955 -7.552 1.00 30.42 H new ATOM 0 HE ARG A 111 -11.269 -4.118 -6.552 1.00 25.35 H new ATOM 0 HH11 ARG A 111 -8.645 -4.421 -8.894 1.00 13.31 H new ATOM 0 HH12 ARG A 111 -8.849 -6.167 -9.069 1.00 13.31 H new ATOM 0 HH21 ARG A 111 -11.522 -6.362 -6.780 1.00 52.42 H new ATOM 0 HH22 ARG A 111 -10.470 -7.261 -7.878 1.00 52.42 H new ATOM 1571 N ILE A 112 -8.144 1.635 -6.933 1.00 64.01 N ATOM 1572 CA ILE A 112 -8.056 3.065 -6.665 1.00 53.35 C ATOM 1573 C ILE A 112 -9.442 3.699 -6.605 1.00 41.31 C ATOM 1574 O ILE A 112 -9.857 4.431 -7.505 1.00 4.54 O ATOM 1575 CB ILE A 112 -7.219 3.789 -7.736 1.00 52.32 C ATOM 1576 CG1 ILE A 112 -5.885 3.070 -7.944 1.00 40.12 C ATOM 1577 CG2 ILE A 112 -6.988 5.240 -7.337 1.00 13.04 C ATOM 1578 CD1 ILE A 112 -5.056 2.957 -6.683 1.00 53.02 C ATOM 0 H ILE A 112 -8.544 1.399 -7.841 1.00 64.01 H new ATOM 0 HA ILE A 112 -7.566 3.175 -5.698 1.00 53.35 H new ATOM 0 HB ILE A 112 -7.769 3.774 -8.677 1.00 52.32 H new ATOM 0 HG12 ILE A 112 -6.077 2.070 -8.334 1.00 40.12 H new ATOM 0 HG13 ILE A 112 -5.309 3.602 -8.701 1.00 40.12 H new ATOM 0 HG21 ILE A 112 -6.395 5.738 -8.104 1.00 13.04 H new ATOM 0 HG22 ILE A 112 -7.948 5.746 -7.234 1.00 13.04 H new ATOM 0 HG23 ILE A 112 -6.456 5.276 -6.387 1.00 13.04 H new ATOM 0 HD11 ILE A 112 -4.125 2.436 -6.905 1.00 53.02 H new ATOM 0 HD12 ILE A 112 -4.833 3.954 -6.304 1.00 53.02 H new ATOM 0 HD13 ILE A 112 -5.613 2.399 -5.930 1.00 53.02 H new ATOM 1589 N PRO A 113 -10.177 3.415 -5.520 1.00 32.13 N ATOM 1590 CA PRO A 113 -11.527 3.948 -5.315 1.00 22.54 C ATOM 1591 C PRO A 113 -11.522 5.447 -5.039 1.00 42.21 C ATOM 1592 O PRO A 113 -10.779 5.928 -4.182 1.00 73.41 O ATOM 1593 CB PRO A 113 -12.029 3.180 -4.090 1.00 40.31 C ATOM 1594 CG PRO A 113 -10.794 2.786 -3.356 1.00 72.41 C ATOM 1595 CD PRO A 113 -9.746 2.549 -4.408 1.00 64.04 C ATOM 0 HA PRO A 113 -12.153 3.824 -6.199 1.00 22.54 H new ATOM 0 HB2 PRO A 113 -12.676 3.802 -3.471 1.00 40.31 H new ATOM 0 HB3 PRO A 113 -12.611 2.306 -4.382 1.00 40.31 H new ATOM 0 HG2 PRO A 113 -10.484 3.570 -2.665 1.00 72.41 H new ATOM 0 HG3 PRO A 113 -10.962 1.887 -2.763 1.00 72.41 H new ATOM 0 HD2 PRO A 113 -8.751 2.817 -4.052 1.00 64.04 H new ATOM 0 HD3 PRO A 113 -9.706 1.501 -4.707 1.00 64.04 H new ATOM 1600 N SER A 114 -12.355 6.183 -5.768 1.00 34.24 N ATOM 1601 CA SER A 114 -12.443 7.628 -5.603 1.00 55.35 C ATOM 1602 C SER A 114 -13.854 8.123 -5.906 1.00 52.14 C ATOM 1603 O SER A 114 -14.041 9.220 -6.433 1.00 72.33 O ATOM 1604 CB SER A 114 -11.437 8.329 -6.517 1.00 54.41 C ATOM 1605 OG SER A 114 -11.344 9.710 -6.210 1.00 13.33 O ATOM 0 H SER A 114 -12.979 5.801 -6.479 1.00 34.24 H new ATOM 0 HA SER A 114 -12.207 7.866 -4.566 1.00 55.35 H new ATOM 0 HB2 SER A 114 -10.458 7.863 -6.410 1.00 54.41 H new ATOM 0 HB3 SER A 114 -11.738 8.204 -7.557 1.00 54.41 H new ATOM 0 HG SER A 114 -12.240 10.107 -6.212 1.00 13.33 H new ATOM 1610 N LYS A 115 -14.847 7.307 -5.567 1.00 52.05 N ATOM 1611 CA LYS A 115 -16.243 7.661 -5.801 1.00 70.50 C ATOM 1612 C LYS A 115 -17.115 7.238 -4.623 1.00 50.14 C ATOM 1613 O LYS A 115 -18.254 6.807 -4.805 1.00 43.30 O ATOM 1614 CB LYS A 115 -16.749 7.002 -7.086 1.00 64.02 C ATOM 1615 CG LYS A 115 -16.315 7.724 -8.350 1.00 74.41 C ATOM 1616 CD LYS A 115 -16.219 6.772 -9.531 1.00 52.40 C ATOM 1617 CE LYS A 115 -14.945 5.944 -9.478 1.00 11.30 C ATOM 1618 NZ LYS A 115 -13.739 6.763 -9.783 1.00 24.31 N ATOM 0 H LYS A 115 -14.711 6.396 -5.129 1.00 52.05 H new ATOM 0 HA LYS A 115 -16.305 8.744 -5.907 1.00 70.50 H new ATOM 0 HB2 LYS A 115 -16.390 5.974 -7.123 1.00 64.02 H new ATOM 0 HB3 LYS A 115 -17.838 6.958 -7.058 1.00 64.02 H new ATOM 0 HG2 LYS A 115 -17.026 8.518 -8.579 1.00 74.41 H new ATOM 0 HG3 LYS A 115 -15.348 8.199 -8.185 1.00 74.41 H new ATOM 0 HD2 LYS A 115 -17.085 6.110 -9.537 1.00 52.40 H new ATOM 0 HD3 LYS A 115 -16.246 7.340 -10.461 1.00 52.40 H new ATOM 0 HE2 LYS A 115 -14.841 5.500 -8.488 1.00 11.30 H new ATOM 0 HE3 LYS A 115 -15.016 5.122 -10.191 1.00 11.30 H new ATOM 0 HZ1 LYS A 115 -12.936 6.135 -9.987 1.00 24.31 H new ATOM 0 HZ2 LYS A 115 -13.928 7.364 -10.610 1.00 24.31 H new ATOM 0 HZ3 LYS A 115 -13.510 7.362 -8.964 1.00 24.31 H new TER 1628 LYS A 115