USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 806 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 SER OG : rot 130:sc= 1.06 USER MOD Set 1.2: A 81 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 30:sc= 0.0126 USER MOD Single : A 8 ASN : amide:sc= 0.402 K(o=0.4,f=-0.99) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -48:sc= 0.947 USER MOD Single : A 22 THR OG1 : rot 127:sc= 1.03 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-3.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0.536 (180deg=-0.549) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= 1.06 (180deg=-0.0183) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 1.3 (180deg=1.17) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -105:sc= 0.27 (180deg=-1.09) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 50 MET CE :methyl -154:sc= -0.0517 (180deg=-0.633) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0459) USER MOD Single : A 56 SER OG : rot -73:sc= 0.142 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.204 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 165:sc= -0.757 (180deg=-1.09) USER MOD Single : A 92 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0143) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -86:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 9.687 -4.102 8.145 1.00 0.70 N ATOM 49 CA THR A 4 10.782 -5.085 8.171 1.00 0.48 C ATOM 50 C THR A 4 10.483 -6.275 9.086 1.00 0.70 C ATOM 51 O THR A 4 10.572 -7.418 8.642 1.00 1.16 O ATOM 52 CB THR A 4 12.065 -4.372 8.627 1.00 0.72 C ATOM 53 OG1 THR A 4 12.493 -3.532 7.582 1.00 1.04 O ATOM 54 CG2 THR A 4 13.205 -5.324 8.987 1.00 1.06 C ATOM 0 HA THR A 4 10.902 -5.491 7.167 1.00 0.48 H new ATOM 0 HB THR A 4 11.822 -3.819 9.534 1.00 0.72 H new ATOM 0 HG1 THR A 4 11.716 -3.228 7.068 1.00 1.04 H new ATOM 0 HG21 THR A 4 14.076 -4.747 9.299 1.00 1.06 H new ATOM 0 HG22 THR A 4 12.891 -5.976 9.802 1.00 1.06 H new ATOM 0 HG23 THR A 4 13.463 -5.928 8.117 1.00 1.06 H new ATOM 62 N ASP A 5 10.111 -5.998 10.342 1.00 0.76 N ATOM 63 CA ASP A 5 9.828 -6.958 11.418 1.00 1.10 C ATOM 64 C ASP A 5 8.418 -7.571 11.306 1.00 1.40 C ATOM 65 O ASP A 5 7.952 -8.268 12.203 1.00 2.50 O ATOM 66 CB ASP A 5 10.031 -6.223 12.757 1.00 1.22 C ATOM 67 CG ASP A 5 10.139 -7.154 13.967 1.00 1.57 C ATOM 68 OD1 ASP A 5 10.895 -8.146 13.859 1.00 1.62 O ATOM 69 OD2 ASP A 5 9.527 -6.810 15.004 1.00 3.12 O ATOM 0 H ASP A 5 9.992 -5.034 10.655 1.00 0.76 H new ATOM 0 HA ASP A 5 10.510 -7.805 11.344 1.00 1.10 H new ATOM 0 HB2 ASP A 5 10.936 -5.618 12.695 1.00 1.22 H new ATOM 0 HB3 ASP A 5 9.199 -5.536 12.913 1.00 1.22 H new ATOM 74 N LEU A 6 7.731 -7.305 10.190 1.00 0.95 N ATOM 75 CA LEU A 6 6.412 -7.824 9.867 1.00 1.10 C ATOM 76 C LEU A 6 6.510 -8.824 8.706 1.00 0.71 C ATOM 77 O LEU A 6 5.949 -9.915 8.794 1.00 0.91 O ATOM 78 CB LEU A 6 5.491 -6.614 9.601 1.00 1.45 C ATOM 79 CG LEU A 6 3.981 -6.838 9.769 1.00 2.59 C ATOM 80 CD1 LEU A 6 3.411 -7.728 8.675 1.00 3.87 C ATOM 81 CD2 LEU A 6 3.605 -7.403 11.140 1.00 2.85 C ATOM 0 H LEU A 6 8.101 -6.695 9.461 1.00 0.95 H new ATOM 0 HA LEU A 6 5.977 -8.393 10.688 1.00 1.10 H new ATOM 0 HB2 LEU A 6 5.790 -5.807 10.270 1.00 1.45 H new ATOM 0 HB3 LEU A 6 5.671 -6.268 8.583 1.00 1.45 H new ATOM 0 HG LEU A 6 3.536 -5.846 9.686 1.00 2.59 H new ATOM 0 HD11 LEU A 6 2.341 -7.859 8.834 1.00 3.87 H new ATOM 0 HD12 LEU A 6 3.580 -7.264 7.703 1.00 3.87 H new ATOM 0 HD13 LEU A 6 3.904 -8.700 8.703 1.00 3.87 H new ATOM 0 HD21 LEU A 6 2.525 -7.538 11.194 1.00 2.85 H new ATOM 0 HD22 LEU A 6 4.098 -8.364 11.285 1.00 2.85 H new ATOM 0 HD23 LEU A 6 3.924 -6.710 11.919 1.00 2.85 H new ATOM 93 N LEU A 7 7.258 -8.489 7.640 1.00 0.57 N ATOM 94 CA LEU A 7 7.309 -9.329 6.439 1.00 0.67 C ATOM 95 C LEU A 7 8.679 -9.772 5.924 1.00 0.72 C ATOM 96 O LEU A 7 8.690 -10.814 5.268 1.00 1.63 O ATOM 97 CB LEU A 7 6.425 -8.717 5.342 1.00 1.26 C ATOM 98 CG LEU A 7 6.829 -7.324 4.851 1.00 1.65 C ATOM 99 CD1 LEU A 7 7.856 -7.458 3.725 1.00 3.37 C ATOM 100 CD2 LEU A 7 5.547 -6.632 4.378 1.00 2.38 C ATOM 0 H LEU A 7 7.831 -7.647 7.589 1.00 0.57 H new ATOM 0 HA LEU A 7 6.907 -10.288 6.765 1.00 0.67 H new ATOM 0 HB2 LEU A 7 6.420 -9.394 4.488 1.00 1.26 H new ATOM 0 HB3 LEU A 7 5.402 -8.666 5.714 1.00 1.26 H new ATOM 0 HG LEU A 7 7.296 -6.731 5.638 1.00 1.65 H new ATOM 0 HD11 LEU A 7 8.144 -6.467 3.375 1.00 3.37 H new ATOM 0 HD12 LEU A 7 8.737 -7.982 4.096 1.00 3.37 H new ATOM 0 HD13 LEU A 7 7.420 -8.021 2.900 1.00 3.37 H new ATOM 0 HD21 LEU A 7 5.785 -5.631 4.017 1.00 2.38 H new ATOM 0 HD22 LEU A 7 5.097 -7.211 3.571 1.00 2.38 H new ATOM 0 HD23 LEU A 7 4.845 -6.561 5.208 1.00 2.38 H new ATOM 112 N ASN A 8 9.763 -9.036 6.222 1.00 0.64 N ATOM 113 CA ASN A 8 11.152 -9.100 5.719 1.00 0.53 C ATOM 114 C ASN A 8 11.564 -7.760 5.072 1.00 0.47 C ATOM 115 O ASN A 8 10.959 -7.325 4.089 1.00 0.56 O ATOM 116 CB ASN A 8 11.430 -10.185 4.653 1.00 0.66 C ATOM 117 CG ASN A 8 11.404 -11.634 5.099 1.00 0.70 C ATOM 118 OD1 ASN A 8 11.717 -11.984 6.227 1.00 1.39 O ATOM 119 ND2 ASN A 8 11.059 -12.519 4.184 1.00 1.38 N ATOM 0 H ASN A 8 9.678 -8.286 6.908 1.00 0.64 H new ATOM 0 HA ASN A 8 11.726 -9.344 6.613 1.00 0.53 H new ATOM 0 HB2 ASN A 8 10.697 -10.067 3.855 1.00 0.66 H new ATOM 0 HB3 ASN A 8 12.410 -9.985 4.219 1.00 0.66 H new ATOM 0 HD21 ASN A 8 11.051 -13.513 4.413 1.00 1.38 H new ATOM 0 HD22 ASN A 8 10.800 -12.210 3.247 1.00 1.38 H new ATOM 126 N ALA A 9 12.676 -7.159 5.517 1.00 0.40 N ATOM 127 CA ALA A 9 13.334 -6.063 4.792 1.00 0.34 C ATOM 128 C ALA A 9 13.649 -6.401 3.319 1.00 0.26 C ATOM 129 O ALA A 9 13.505 -5.546 2.452 1.00 0.29 O ATOM 130 CB ALA A 9 14.626 -5.673 5.519 1.00 0.44 C ATOM 0 H ALA A 9 13.143 -7.417 6.386 1.00 0.40 H new ATOM 0 HA ALA A 9 12.631 -5.230 4.776 1.00 0.34 H new ATOM 0 HB1 ALA A 9 15.115 -4.860 4.982 1.00 0.44 H new ATOM 0 HB2 ALA A 9 14.389 -5.348 6.532 1.00 0.44 H new ATOM 0 HB3 ALA A 9 15.294 -6.533 5.561 1.00 0.44 H new ATOM 136 N GLU A 10 14.065 -7.636 3.016 1.00 0.27 N ATOM 137 CA GLU A 10 14.411 -8.080 1.656 1.00 0.30 C ATOM 138 C GLU A 10 13.211 -8.037 0.697 1.00 0.33 C ATOM 139 O GLU A 10 13.330 -7.572 -0.436 1.00 0.45 O ATOM 140 CB GLU A 10 14.975 -9.505 1.722 1.00 0.38 C ATOM 141 CG GLU A 10 16.330 -9.556 2.439 1.00 1.14 C ATOM 142 CD GLU A 10 16.743 -11.005 2.698 1.00 1.66 C ATOM 143 OE1 GLU A 10 17.228 -11.644 1.739 1.00 2.51 O ATOM 144 OE2 GLU A 10 16.544 -11.453 3.849 1.00 2.43 O ATOM 0 H GLU A 10 14.173 -8.368 3.718 1.00 0.27 H new ATOM 0 HA GLU A 10 15.157 -7.390 1.261 1.00 0.30 H new ATOM 0 HB2 GLU A 10 14.267 -10.151 2.240 1.00 0.38 H new ATOM 0 HB3 GLU A 10 15.085 -9.898 0.711 1.00 0.38 H new ATOM 0 HG2 GLU A 10 17.088 -9.058 1.834 1.00 1.14 H new ATOM 0 HG3 GLU A 10 16.270 -9.014 3.383 1.00 1.14 H new ATOM 151 N ASP A 11 12.042 -8.475 1.171 1.00 0.32 N ATOM 152 CA ASP A 11 10.769 -8.368 0.462 1.00 0.39 C ATOM 153 C ASP A 11 10.357 -6.884 0.324 1.00 0.36 C ATOM 154 O ASP A 11 10.062 -6.426 -0.785 1.00 0.37 O ATOM 155 CB ASP A 11 9.707 -9.176 1.220 1.00 0.54 C ATOM 156 CG ASP A 11 9.684 -10.693 0.958 1.00 0.88 C ATOM 157 OD1 ASP A 11 9.160 -11.111 -0.097 1.00 2.39 O ATOM 158 OD2 ASP A 11 10.055 -11.500 1.851 1.00 1.61 O ATOM 0 H ASP A 11 11.955 -8.925 2.082 1.00 0.32 H new ATOM 0 HA ASP A 11 10.868 -8.775 -0.544 1.00 0.39 H new ATOM 0 HB2 ASP A 11 9.854 -9.016 2.288 1.00 0.54 H new ATOM 0 HB3 ASP A 11 8.727 -8.771 0.969 1.00 0.54 H new ATOM 163 N ILE A 12 10.386 -6.099 1.420 1.00 0.36 N ATOM 164 CA ILE A 12 10.140 -4.645 1.378 1.00 0.34 C ATOM 165 C ILE A 12 11.044 -3.919 0.368 1.00 0.34 C ATOM 166 O ILE A 12 10.570 -3.030 -0.335 1.00 0.36 O ATOM 167 CB ILE A 12 10.123 -4.020 2.801 1.00 0.42 C ATOM 168 CG1 ILE A 12 8.858 -3.176 3.055 1.00 0.85 C ATOM 169 CG2 ILE A 12 11.263 -3.050 3.040 1.00 0.68 C ATOM 170 CD1 ILE A 12 7.729 -4.041 3.565 1.00 1.50 C ATOM 0 H ILE A 12 10.580 -6.455 2.356 1.00 0.36 H new ATOM 0 HA ILE A 12 9.133 -4.494 0.989 1.00 0.34 H new ATOM 0 HB ILE A 12 10.187 -4.888 3.457 1.00 0.42 H new ATOM 0 HG12 ILE A 12 9.078 -2.392 3.780 1.00 0.85 H new ATOM 0 HG13 ILE A 12 8.555 -2.681 2.133 1.00 0.85 H new ATOM 0 HG21 ILE A 12 11.194 -2.649 4.051 1.00 0.68 H new ATOM 0 HG22 ILE A 12 12.214 -3.569 2.920 1.00 0.68 H new ATOM 0 HG23 ILE A 12 11.202 -2.233 2.321 1.00 0.68 H new ATOM 0 HD11 ILE A 12 6.847 -3.424 3.737 1.00 1.50 H new ATOM 0 HD12 ILE A 12 7.497 -4.808 2.827 1.00 1.50 H new ATOM 0 HD13 ILE A 12 8.028 -4.515 4.500 1.00 1.50 H new ATOM 182 N LYS A 13 12.310 -4.327 0.224 1.00 0.34 N ATOM 183 CA LYS A 13 13.253 -3.821 -0.781 1.00 0.37 C ATOM 184 C LYS A 13 12.673 -3.906 -2.198 1.00 0.39 C ATOM 185 O LYS A 13 12.708 -2.923 -2.939 1.00 0.44 O ATOM 186 CB LYS A 13 14.580 -4.600 -0.656 1.00 0.52 C ATOM 187 CG LYS A 13 15.774 -3.730 -0.250 1.00 1.84 C ATOM 188 CD LYS A 13 16.360 -2.961 -1.442 1.00 1.79 C ATOM 189 CE LYS A 13 17.672 -2.286 -1.024 1.00 3.43 C ATOM 190 NZ LYS A 13 18.469 -1.863 -2.201 1.00 3.75 N ATOM 0 H LYS A 13 12.720 -5.043 0.824 1.00 0.34 H new ATOM 0 HA LYS A 13 13.441 -2.763 -0.596 1.00 0.37 H new ATOM 0 HB2 LYS A 13 14.455 -5.395 0.079 1.00 0.52 H new ATOM 0 HB3 LYS A 13 14.800 -5.079 -1.610 1.00 0.52 H new ATOM 0 HG2 LYS A 13 15.462 -3.023 0.519 1.00 1.84 H new ATOM 0 HG3 LYS A 13 16.547 -4.359 0.190 1.00 1.84 H new ATOM 0 HD2 LYS A 13 16.539 -3.642 -2.274 1.00 1.79 H new ATOM 0 HD3 LYS A 13 15.649 -2.212 -1.790 1.00 1.79 H new ATOM 0 HE2 LYS A 13 17.453 -1.418 -0.402 1.00 3.43 H new ATOM 0 HE3 LYS A 13 18.258 -2.975 -0.416 1.00 3.43 H new ATOM 0 HZ1 LYS A 13 19.349 -1.411 -1.880 1.00 3.75 H new ATOM 0 HZ2 LYS A 13 18.699 -2.695 -2.782 1.00 3.75 H new ATOM 0 HZ3 LYS A 13 17.919 -1.187 -2.768 1.00 3.75 H new ATOM 204 N LYS A 14 12.114 -5.066 -2.565 1.00 0.43 N ATOM 205 CA LYS A 14 11.438 -5.282 -3.854 1.00 0.51 C ATOM 206 C LYS A 14 10.112 -4.523 -3.944 1.00 0.53 C ATOM 207 O LYS A 14 9.808 -3.964 -4.996 1.00 0.60 O ATOM 208 CB LYS A 14 11.245 -6.788 -4.108 1.00 0.63 C ATOM 209 CG LYS A 14 12.537 -7.626 -4.038 1.00 0.97 C ATOM 210 CD LYS A 14 13.616 -7.257 -5.067 1.00 1.88 C ATOM 211 CE LYS A 14 13.166 -7.582 -6.497 1.00 2.71 C ATOM 212 NZ LYS A 14 14.271 -7.398 -7.468 1.00 4.09 N ATOM 0 H LYS A 14 12.118 -5.893 -1.968 1.00 0.43 H new ATOM 0 HA LYS A 14 12.078 -4.878 -4.638 1.00 0.51 H new ATOM 0 HB2 LYS A 14 10.536 -7.177 -3.377 1.00 0.63 H new ATOM 0 HB3 LYS A 14 10.795 -6.922 -5.092 1.00 0.63 H new ATOM 0 HG2 LYS A 14 12.962 -7.526 -3.039 1.00 0.97 H new ATOM 0 HG3 LYS A 14 12.277 -8.676 -4.170 1.00 0.97 H new ATOM 0 HD2 LYS A 14 13.845 -6.194 -4.990 1.00 1.88 H new ATOM 0 HD3 LYS A 14 14.535 -7.799 -4.842 1.00 1.88 H new ATOM 0 HE2 LYS A 14 12.808 -8.610 -6.542 1.00 2.71 H new ATOM 0 HE3 LYS A 14 12.329 -6.940 -6.771 1.00 2.71 H new ATOM 0 HZ1 LYS A 14 13.934 -7.626 -8.425 1.00 4.09 H new ATOM 0 HZ2 LYS A 14 14.596 -6.410 -7.441 1.00 4.09 H new ATOM 0 HZ3 LYS A 14 15.060 -8.029 -7.220 1.00 4.09 H new ATOM 226 N ALA A 15 9.368 -4.436 -2.840 1.00 0.51 N ATOM 227 CA ALA A 15 8.136 -3.655 -2.735 1.00 0.59 C ATOM 228 C ALA A 15 8.352 -2.171 -3.063 1.00 0.54 C ATOM 229 O ALA A 15 7.711 -1.629 -3.964 1.00 0.62 O ATOM 230 CB ALA A 15 7.592 -3.805 -1.312 1.00 0.66 C ATOM 0 H ALA A 15 9.612 -4.918 -1.975 1.00 0.51 H new ATOM 0 HA ALA A 15 7.423 -4.035 -3.467 1.00 0.59 H new ATOM 0 HB1 ALA A 15 6.672 -3.229 -1.212 1.00 0.66 H new ATOM 0 HB2 ALA A 15 7.386 -4.856 -1.110 1.00 0.66 H new ATOM 0 HB3 ALA A 15 8.330 -3.436 -0.600 1.00 0.66 H new ATOM 236 N VAL A 16 9.272 -1.508 -2.351 1.00 0.45 N ATOM 237 CA VAL A 16 9.601 -0.098 -2.592 1.00 0.50 C ATOM 238 C VAL A 16 10.057 0.097 -4.043 1.00 0.45 C ATOM 239 O VAL A 16 9.627 1.048 -4.689 1.00 0.55 O ATOM 240 CB VAL A 16 10.643 0.416 -1.579 1.00 0.53 C ATOM 241 CG1 VAL A 16 10.938 1.903 -1.777 1.00 0.76 C ATOM 242 CG2 VAL A 16 10.174 0.287 -0.122 1.00 0.84 C ATOM 0 H VAL A 16 9.808 -1.933 -1.594 1.00 0.45 H new ATOM 0 HA VAL A 16 8.703 0.501 -2.442 1.00 0.50 H new ATOM 0 HB VAL A 16 11.522 -0.203 -1.759 1.00 0.53 H new ATOM 0 HG11 VAL A 16 11.677 2.228 -1.044 1.00 0.76 H new ATOM 0 HG12 VAL A 16 11.327 2.066 -2.782 1.00 0.76 H new ATOM 0 HG13 VAL A 16 10.020 2.477 -1.646 1.00 0.76 H new ATOM 0 HG21 VAL A 16 10.949 0.665 0.545 1.00 0.84 H new ATOM 0 HG22 VAL A 16 9.261 0.865 0.019 1.00 0.84 H new ATOM 0 HG23 VAL A 16 9.979 -0.761 0.106 1.00 0.84 H new ATOM 252 N GLY A 17 10.834 -0.849 -4.591 1.00 0.36 N ATOM 253 CA GLY A 17 11.256 -0.840 -5.991 1.00 0.36 C ATOM 254 C GLY A 17 10.089 -0.897 -6.982 1.00 0.48 C ATOM 255 O GLY A 17 10.146 -0.241 -8.017 1.00 0.83 O ATOM 0 H GLY A 17 11.188 -1.648 -4.065 1.00 0.36 H new ATOM 0 HA2 GLY A 17 11.839 0.061 -6.180 1.00 0.36 H new ATOM 0 HA3 GLY A 17 11.915 -1.690 -6.169 1.00 0.36 H new ATOM 259 N ALA A 18 9.025 -1.644 -6.664 1.00 0.40 N ATOM 260 CA ALA A 18 7.822 -1.749 -7.487 1.00 0.49 C ATOM 261 C ALA A 18 7.042 -0.423 -7.581 1.00 0.60 C ATOM 262 O ALA A 18 6.726 0.007 -8.688 1.00 0.83 O ATOM 263 CB ALA A 18 6.958 -2.893 -6.945 1.00 0.57 C ATOM 0 H ALA A 18 8.979 -2.201 -5.811 1.00 0.40 H new ATOM 0 HA ALA A 18 8.117 -1.972 -8.512 1.00 0.49 H new ATOM 0 HB1 ALA A 18 6.055 -2.985 -7.549 1.00 0.57 H new ATOM 0 HB2 ALA A 18 7.520 -3.826 -6.989 1.00 0.57 H new ATOM 0 HB3 ALA A 18 6.683 -2.683 -5.911 1.00 0.57 H new ATOM 269 N PHE A 19 6.744 0.246 -6.454 1.00 0.61 N ATOM 270 CA PHE A 19 6.022 1.536 -6.471 1.00 0.68 C ATOM 271 C PHE A 19 6.935 2.764 -6.669 1.00 0.77 C ATOM 272 O PHE A 19 6.419 3.878 -6.734 1.00 0.97 O ATOM 273 CB PHE A 19 5.158 1.731 -5.209 1.00 0.63 C ATOM 274 CG PHE A 19 3.958 0.843 -4.952 1.00 0.55 C ATOM 275 CD1 PHE A 19 3.541 -0.101 -5.895 1.00 1.43 C ATOM 276 CD2 PHE A 19 3.226 0.998 -3.756 1.00 1.81 C ATOM 277 CE1 PHE A 19 2.383 -0.856 -5.667 1.00 1.55 C ATOM 278 CE2 PHE A 19 2.094 0.197 -3.502 1.00 1.68 C ATOM 279 CZ PHE A 19 1.679 -0.735 -4.467 1.00 0.50 C ATOM 0 H PHE A 19 6.990 -0.082 -5.520 1.00 0.61 H new ATOM 0 HA PHE A 19 5.374 1.474 -7.346 1.00 0.68 H new ATOM 0 HB2 PHE A 19 5.820 1.634 -4.348 1.00 0.63 H new ATOM 0 HB3 PHE A 19 4.799 2.760 -5.221 1.00 0.63 H new ATOM 0 HD1 PHE A 19 4.112 -0.248 -6.800 1.00 1.43 H new ATOM 0 HD2 PHE A 19 3.535 1.735 -3.030 1.00 1.81 H new ATOM 0 HE1 PHE A 19 2.031 -1.538 -6.427 1.00 1.55 H new ATOM 0 HE2 PHE A 19 1.551 0.299 -2.574 1.00 1.68 H new ATOM 0 HZ PHE A 19 0.816 -1.358 -4.281 1.00 0.50 H new ATOM 289 N SER A 20 8.263 2.604 -6.788 1.00 0.67 N ATOM 290 CA SER A 20 9.246 3.663 -7.097 1.00 0.70 C ATOM 291 C SER A 20 9.095 4.243 -8.529 1.00 0.71 C ATOM 292 O SER A 20 10.066 4.332 -9.287 1.00 0.85 O ATOM 293 CB SER A 20 10.666 3.126 -6.836 1.00 0.73 C ATOM 294 OG SER A 20 11.634 4.063 -7.254 1.00 1.85 O ATOM 0 H SER A 20 8.704 1.692 -6.666 1.00 0.67 H new ATOM 0 HA SER A 20 9.052 4.506 -6.434 1.00 0.70 H new ATOM 0 HB2 SER A 20 10.791 2.914 -5.774 1.00 0.73 H new ATOM 0 HB3 SER A 20 10.809 2.185 -7.368 1.00 0.73 H new ATOM 0 HG SER A 20 11.418 4.376 -8.157 1.00 1.85 H new ATOM 300 N ALA A 21 7.881 4.660 -8.892 1.00 0.72 N ATOM 301 CA ALA A 21 7.466 5.180 -10.188 1.00 0.85 C ATOM 302 C ALA A 21 6.321 6.201 -10.018 1.00 0.98 C ATOM 303 O ALA A 21 5.884 6.478 -8.902 1.00 1.58 O ATOM 304 CB ALA A 21 7.043 3.983 -11.048 1.00 0.84 C ATOM 0 H ALA A 21 7.104 4.640 -8.232 1.00 0.72 H new ATOM 0 HA ALA A 21 8.283 5.711 -10.677 1.00 0.85 H new ATOM 0 HB1 ALA A 21 6.725 4.335 -12.029 1.00 0.84 H new ATOM 0 HB2 ALA A 21 7.886 3.301 -11.163 1.00 0.84 H new ATOM 0 HB3 ALA A 21 6.217 3.461 -10.564 1.00 0.84 H new ATOM 310 N THR A 22 5.833 6.779 -11.122 1.00 0.82 N ATOM 311 CA THR A 22 4.738 7.758 -11.116 1.00 0.92 C ATOM 312 C THR A 22 3.374 7.089 -10.923 1.00 1.42 C ATOM 313 O THR A 22 2.756 7.230 -9.871 1.00 2.98 O ATOM 314 CB THR A 22 4.766 8.607 -12.406 1.00 0.91 C ATOM 315 OG1 THR A 22 4.976 7.810 -13.557 1.00 1.11 O ATOM 316 CG2 THR A 22 5.888 9.641 -12.341 1.00 1.14 C ATOM 0 H THR A 22 6.191 6.578 -12.056 1.00 0.82 H new ATOM 0 HA THR A 22 4.890 8.420 -10.263 1.00 0.92 H new ATOM 0 HB THR A 22 3.795 9.096 -12.479 1.00 0.91 H new ATOM 0 HG1 THR A 22 4.271 7.990 -14.213 1.00 1.11 H new ATOM 0 HG21 THR A 22 5.893 10.230 -13.258 1.00 1.14 H new ATOM 0 HG22 THR A 22 5.727 10.299 -11.487 1.00 1.14 H new ATOM 0 HG23 THR A 22 6.846 9.132 -12.231 1.00 1.14 H new ATOM 324 N ASP A 23 2.901 6.408 -11.966 1.00 0.60 N ATOM 325 CA ASP A 23 1.568 5.848 -12.178 1.00 0.70 C ATOM 326 C ASP A 23 1.623 4.322 -12.393 1.00 0.70 C ATOM 327 O ASP A 23 0.599 3.675 -12.599 1.00 0.97 O ATOM 328 CB ASP A 23 0.836 6.616 -13.313 1.00 0.84 C ATOM 329 CG ASP A 23 1.647 7.730 -14.014 1.00 1.65 C ATOM 330 OD1 ASP A 23 2.780 7.442 -14.479 1.00 2.93 O ATOM 331 OD2 ASP A 23 1.181 8.890 -14.017 1.00 2.45 O ATOM 0 H ASP A 23 3.505 6.216 -12.765 1.00 0.60 H new ATOM 0 HA ASP A 23 0.974 5.988 -11.275 1.00 0.70 H new ATOM 0 HB2 ASP A 23 0.521 5.895 -14.067 1.00 0.84 H new ATOM 0 HB3 ASP A 23 -0.069 7.060 -12.898 1.00 0.84 H new ATOM 336 N SER A 24 2.818 3.727 -12.280 1.00 0.60 N ATOM 337 CA SER A 24 3.102 2.316 -12.571 1.00 0.63 C ATOM 338 C SER A 24 2.952 1.442 -11.323 1.00 0.86 C ATOM 339 O SER A 24 3.716 0.497 -11.149 1.00 1.50 O ATOM 340 CB SER A 24 4.512 2.168 -13.162 1.00 0.62 C ATOM 341 OG SER A 24 4.673 2.990 -14.302 1.00 1.74 O ATOM 0 H SER A 24 3.646 4.236 -11.971 1.00 0.60 H new ATOM 0 HA SER A 24 2.371 1.974 -13.304 1.00 0.63 H new ATOM 0 HB2 SER A 24 5.255 2.434 -12.410 1.00 0.62 H new ATOM 0 HB3 SER A 24 4.690 1.127 -13.432 1.00 0.62 H new ATOM 0 HG SER A 24 5.579 2.880 -14.659 1.00 1.74 H new ATOM 347 N PHE A 25 2.002 1.785 -10.442 1.00 0.80 N ATOM 348 CA PHE A 25 1.817 1.212 -9.106 1.00 0.98 C ATOM 349 C PHE A 25 1.863 -0.319 -9.147 1.00 1.30 C ATOM 350 O PHE A 25 2.785 -0.915 -8.610 1.00 3.31 O ATOM 351 CB PHE A 25 0.515 1.774 -8.510 1.00 1.10 C ATOM 352 CG PHE A 25 0.334 1.691 -6.999 1.00 1.37 C ATOM 353 CD1 PHE A 25 0.876 2.696 -6.176 1.00 2.47 C ATOM 354 CD2 PHE A 25 -0.506 0.716 -6.426 1.00 1.71 C ATOM 355 CE1 PHE A 25 0.520 2.772 -4.816 1.00 2.79 C ATOM 356 CE2 PHE A 25 -0.822 0.770 -5.052 1.00 1.78 C ATOM 357 CZ PHE A 25 -0.343 1.822 -4.256 1.00 1.97 C ATOM 0 H PHE A 25 1.310 2.504 -10.654 1.00 0.80 H new ATOM 0 HA PHE A 25 2.638 1.501 -8.450 1.00 0.98 H new ATOM 0 HB2 PHE A 25 0.438 2.822 -8.800 1.00 1.10 H new ATOM 0 HB3 PHE A 25 -0.320 1.252 -8.977 1.00 1.10 H new ATOM 0 HD1 PHE A 25 1.569 3.413 -6.590 1.00 2.47 H new ATOM 0 HD2 PHE A 25 -0.909 -0.075 -7.040 1.00 1.71 H new ATOM 0 HE1 PHE A 25 0.915 3.567 -4.201 1.00 2.79 H new ATOM 0 HE2 PHE A 25 -1.435 -0.002 -4.611 1.00 1.78 H new ATOM 0 HZ PHE A 25 -0.638 1.898 -3.220 1.00 1.97 H new ATOM 367 N ASP A 26 0.918 -0.971 -9.834 1.00 0.85 N ATOM 368 CA ASP A 26 0.853 -2.435 -9.911 1.00 0.82 C ATOM 369 C ASP A 26 0.847 -3.073 -8.500 1.00 0.63 C ATOM 370 O ASP A 26 1.756 -3.792 -8.074 1.00 0.66 O ATOM 371 CB ASP A 26 1.941 -2.959 -10.873 1.00 1.12 C ATOM 372 CG ASP A 26 1.719 -4.404 -11.330 1.00 1.61 C ATOM 373 OD1 ASP A 26 1.106 -5.184 -10.564 1.00 2.65 O ATOM 374 OD2 ASP A 26 2.170 -4.733 -12.445 1.00 2.37 O ATOM 0 H ASP A 26 0.177 -0.499 -10.352 1.00 0.85 H new ATOM 0 HA ASP A 26 -0.096 -2.749 -10.345 1.00 0.82 H new ATOM 0 HB2 ASP A 26 1.979 -2.312 -11.750 1.00 1.12 H new ATOM 0 HB3 ASP A 26 2.912 -2.888 -10.382 1.00 1.12 H new ATOM 379 N HIS A 27 -0.238 -2.805 -7.757 1.00 0.64 N ATOM 380 CA HIS A 27 -0.474 -3.341 -6.410 1.00 0.61 C ATOM 381 C HIS A 27 -0.367 -4.870 -6.342 1.00 0.58 C ATOM 382 O HIS A 27 0.070 -5.423 -5.334 1.00 0.53 O ATOM 383 CB HIS A 27 -1.830 -2.849 -5.884 1.00 0.69 C ATOM 384 CG HIS A 27 -3.035 -3.190 -6.733 1.00 1.55 C ATOM 385 ND1 HIS A 27 -3.649 -4.418 -6.832 1.00 2.65 N ATOM 386 CD2 HIS A 27 -3.778 -2.306 -7.467 1.00 2.59 C ATOM 387 CE1 HIS A 27 -4.754 -4.272 -7.584 1.00 3.39 C ATOM 388 NE2 HIS A 27 -4.852 -3.007 -8.020 1.00 3.34 N ATOM 0 H HIS A 27 -0.990 -2.198 -8.083 1.00 0.64 H new ATOM 0 HA HIS A 27 0.319 -2.963 -5.766 1.00 0.61 H new ATOM 0 HB2 HIS A 27 -1.983 -3.264 -4.888 1.00 0.69 H new ATOM 0 HB3 HIS A 27 -1.783 -1.766 -5.774 1.00 0.69 H new ATOM 0 HD2 HIS A 27 -3.571 -1.254 -7.596 1.00 2.59 H new ATOM 0 HE1 HIS A 27 -5.460 -5.059 -7.805 1.00 3.39 H new ATOM 0 HE2 HIS A 27 -5.572 -2.630 -8.636 1.00 3.34 H new ATOM 396 N LYS A 28 -0.718 -5.532 -7.451 1.00 0.71 N ATOM 397 CA LYS A 28 -0.552 -6.954 -7.741 1.00 0.83 C ATOM 398 C LYS A 28 0.926 -7.340 -7.581 1.00 0.73 C ATOM 399 O LYS A 28 1.234 -8.143 -6.699 1.00 0.72 O ATOM 400 CB LYS A 28 -1.081 -7.289 -9.160 1.00 1.08 C ATOM 401 CG LYS A 28 -2.301 -6.476 -9.637 1.00 1.22 C ATOM 402 CD LYS A 28 -1.964 -5.191 -10.412 1.00 2.08 C ATOM 403 CE LYS A 28 -3.119 -4.193 -10.364 1.00 2.89 C ATOM 404 NZ LYS A 28 -3.233 -3.379 -11.593 1.00 3.64 N ATOM 0 H LYS A 28 -1.161 -5.044 -8.229 1.00 0.71 H new ATOM 0 HA LYS A 28 -1.139 -7.539 -7.033 1.00 0.83 H new ATOM 0 HB2 LYS A 28 -0.270 -7.141 -9.873 1.00 1.08 H new ATOM 0 HB3 LYS A 28 -1.341 -8.347 -9.189 1.00 1.08 H new ATOM 0 HG2 LYS A 28 -2.918 -7.113 -10.271 1.00 1.22 H new ATOM 0 HG3 LYS A 28 -2.904 -6.211 -8.768 1.00 1.22 H new ATOM 0 HD2 LYS A 28 -1.069 -4.734 -9.991 1.00 2.08 H new ATOM 0 HD3 LYS A 28 -1.738 -5.438 -11.449 1.00 2.08 H new ATOM 0 HE2 LYS A 28 -4.052 -4.734 -10.205 1.00 2.89 H new ATOM 0 HE3 LYS A 28 -2.984 -3.531 -9.508 1.00 2.89 H new ATOM 0 HZ1 LYS A 28 -4.033 -2.721 -11.501 1.00 3.64 H new ATOM 0 HZ2 LYS A 28 -2.356 -2.839 -11.734 1.00 3.64 H new ATOM 0 HZ3 LYS A 28 -3.390 -4.003 -12.410 1.00 3.64 H new ATOM 418 N LYS A 29 1.836 -6.753 -8.384 1.00 0.74 N ATOM 419 CA LYS A 29 3.281 -7.043 -8.324 1.00 0.68 C ATOM 420 C LYS A 29 3.845 -6.674 -6.970 1.00 0.48 C ATOM 421 O LYS A 29 4.623 -7.448 -6.432 1.00 0.51 O ATOM 422 CB LYS A 29 4.100 -6.298 -9.401 1.00 0.87 C ATOM 423 CG LYS A 29 4.695 -7.222 -10.469 1.00 0.94 C ATOM 424 CD LYS A 29 3.634 -7.856 -11.379 1.00 1.68 C ATOM 425 CE LYS A 29 4.295 -8.566 -12.565 1.00 2.08 C ATOM 426 NZ LYS A 29 4.977 -9.818 -12.156 1.00 3.61 N ATOM 0 H LYS A 29 1.588 -6.063 -9.093 1.00 0.74 H new ATOM 0 HA LYS A 29 3.370 -8.114 -8.506 1.00 0.68 H new ATOM 0 HB2 LYS A 29 3.460 -5.561 -9.886 1.00 0.87 H new ATOM 0 HB3 LYS A 29 4.908 -5.750 -8.916 1.00 0.87 H new ATOM 0 HG2 LYS A 29 5.397 -6.655 -11.080 1.00 0.94 H new ATOM 0 HG3 LYS A 29 5.264 -8.012 -9.980 1.00 0.94 H new ATOM 0 HD2 LYS A 29 3.037 -8.568 -10.809 1.00 1.68 H new ATOM 0 HD3 LYS A 29 2.952 -7.087 -11.743 1.00 1.68 H new ATOM 0 HE2 LYS A 29 3.540 -8.794 -13.317 1.00 2.08 H new ATOM 0 HE3 LYS A 29 5.017 -7.896 -13.031 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 5.410 -10.265 -12.989 1.00 3.61 H new ATOM 0 HZ2 LYS A 29 5.716 -9.599 -11.457 1.00 3.61 H new ATOM 0 HZ3 LYS A 29 4.284 -10.469 -11.734 1.00 3.61 H new ATOM 440 N PHE A 30 3.447 -5.527 -6.422 1.00 0.41 N ATOM 441 CA PHE A 30 3.873 -5.080 -5.099 1.00 0.39 C ATOM 442 C PHE A 30 3.570 -6.125 -4.031 1.00 0.38 C ATOM 443 O PHE A 30 4.524 -6.669 -3.483 1.00 0.43 O ATOM 444 CB PHE A 30 3.203 -3.749 -4.827 1.00 0.47 C ATOM 445 CG PHE A 30 3.495 -3.099 -3.494 1.00 0.60 C ATOM 446 CD1 PHE A 30 4.729 -2.467 -3.295 1.00 1.55 C ATOM 447 CD2 PHE A 30 2.484 -2.967 -2.525 1.00 1.98 C ATOM 448 CE1 PHE A 30 4.947 -1.677 -2.157 1.00 1.61 C ATOM 449 CE2 PHE A 30 2.690 -2.164 -1.394 1.00 2.26 C ATOM 450 CZ PHE A 30 3.918 -1.503 -1.222 1.00 1.34 C ATOM 0 H PHE A 30 2.814 -4.877 -6.889 1.00 0.41 H new ATOM 0 HA PHE A 30 4.955 -4.949 -5.069 1.00 0.39 H new ATOM 0 HB2 PHE A 30 3.495 -3.054 -5.615 1.00 0.47 H new ATOM 0 HB3 PHE A 30 2.125 -3.888 -4.908 1.00 0.47 H new ATOM 0 HD1 PHE A 30 5.518 -2.589 -4.023 1.00 1.55 H new ATOM 0 HD2 PHE A 30 1.546 -3.486 -2.653 1.00 1.98 H new ATOM 0 HE1 PHE A 30 5.905 -1.204 -2.002 1.00 1.61 H new ATOM 0 HE2 PHE A 30 1.908 -2.054 -0.658 1.00 2.26 H new ATOM 0 HZ PHE A 30 4.069 -0.860 -0.368 1.00 1.34 H new ATOM 460 N PHE A 31 2.290 -6.461 -3.784 1.00 0.37 N ATOM 461 CA PHE A 31 1.885 -7.453 -2.775 1.00 0.38 C ATOM 462 C PHE A 31 2.489 -8.848 -3.000 1.00 0.39 C ATOM 463 O PHE A 31 2.638 -9.599 -2.036 1.00 0.44 O ATOM 464 CB PHE A 31 0.361 -7.562 -2.665 1.00 0.41 C ATOM 465 CG PHE A 31 -0.261 -6.744 -1.545 1.00 0.47 C ATOM 466 CD1 PHE A 31 -0.341 -5.345 -1.646 1.00 1.74 C ATOM 467 CD2 PHE A 31 -0.833 -7.382 -0.426 1.00 1.67 C ATOM 468 CE1 PHE A 31 -0.985 -4.591 -0.650 1.00 1.74 C ATOM 469 CE2 PHE A 31 -1.486 -6.635 0.570 1.00 1.79 C ATOM 470 CZ PHE A 31 -1.563 -5.239 0.456 1.00 0.79 C ATOM 0 H PHE A 31 1.503 -6.047 -4.284 1.00 0.37 H new ATOM 0 HA PHE A 31 2.289 -7.076 -1.835 1.00 0.38 H new ATOM 0 HB2 PHE A 31 -0.080 -7.249 -3.611 1.00 0.41 H new ATOM 0 HB3 PHE A 31 0.096 -8.609 -2.520 1.00 0.41 H new ATOM 0 HD1 PHE A 31 0.096 -4.844 -2.497 1.00 1.74 H new ATOM 0 HD2 PHE A 31 -0.769 -8.456 -0.333 1.00 1.67 H new ATOM 0 HE1 PHE A 31 -1.036 -3.515 -0.734 1.00 1.74 H new ATOM 0 HE2 PHE A 31 -1.927 -7.134 1.420 1.00 1.79 H new ATOM 0 HZ PHE A 31 -2.066 -4.662 1.218 1.00 0.79 H new ATOM 480 N GLN A 32 2.843 -9.194 -4.244 1.00 0.41 N ATOM 481 CA GLN A 32 3.571 -10.416 -4.581 1.00 0.45 C ATOM 482 C GLN A 32 5.073 -10.301 -4.240 1.00 0.41 C ATOM 483 O GLN A 32 5.585 -11.128 -3.491 1.00 0.41 O ATOM 484 CB GLN A 32 3.364 -10.728 -6.077 1.00 0.56 C ATOM 485 CG GLN A 32 1.930 -11.182 -6.406 1.00 0.71 C ATOM 486 CD GLN A 32 1.590 -11.043 -7.894 1.00 1.25 C ATOM 487 OE1 GLN A 32 2.380 -11.327 -8.782 1.00 2.21 O ATOM 488 NE2 GLN A 32 0.386 -10.608 -8.224 1.00 1.15 N ATOM 0 H GLN A 32 2.625 -8.619 -5.058 1.00 0.41 H new ATOM 0 HA GLN A 32 3.177 -11.236 -3.980 1.00 0.45 H new ATOM 0 HB2 GLN A 32 3.601 -9.840 -6.663 1.00 0.56 H new ATOM 0 HB3 GLN A 32 4.064 -11.507 -6.380 1.00 0.56 H new ATOM 0 HG2 GLN A 32 1.805 -12.222 -6.105 1.00 0.71 H new ATOM 0 HG3 GLN A 32 1.224 -10.594 -5.820 1.00 0.71 H new ATOM 0 HE21 GLN A 32 -0.286 -10.366 -7.496 1.00 1.15 H new ATOM 0 HE22 GLN A 32 0.129 -10.514 -9.207 1.00 1.15 H new ATOM 497 N MET A 33 5.771 -9.274 -4.746 1.00 0.43 N ATOM 498 CA MET A 33 7.206 -8.994 -4.545 1.00 0.45 C ATOM 499 C MET A 33 7.578 -8.796 -3.074 1.00 0.43 C ATOM 500 O MET A 33 8.617 -9.269 -2.633 1.00 0.50 O ATOM 501 CB MET A 33 7.594 -7.709 -5.296 1.00 0.49 C ATOM 502 CG MET A 33 7.795 -7.889 -6.800 1.00 0.68 C ATOM 503 SD MET A 33 9.355 -8.705 -7.244 1.00 1.98 S ATOM 504 CE MET A 33 9.657 -7.911 -8.844 1.00 1.54 C ATOM 0 H MET A 33 5.327 -8.575 -5.341 1.00 0.43 H new ATOM 0 HA MET A 33 7.742 -9.865 -4.923 1.00 0.45 H new ATOM 0 HB2 MET A 33 6.819 -6.960 -5.133 1.00 0.49 H new ATOM 0 HB3 MET A 33 8.514 -7.315 -4.864 1.00 0.49 H new ATOM 0 HG2 MET A 33 6.965 -8.472 -7.200 1.00 0.68 H new ATOM 0 HG3 MET A 33 7.759 -6.911 -7.281 1.00 0.68 H new ATOM 0 HE1 MET A 33 10.584 -8.294 -9.271 1.00 1.54 H new ATOM 0 HE2 MET A 33 8.830 -8.128 -9.520 1.00 1.54 H new ATOM 0 HE3 MET A 33 9.739 -6.833 -8.705 1.00 1.54 H new ATOM 514 N VAL A 34 6.725 -8.083 -2.332 1.00 0.39 N ATOM 515 CA VAL A 34 6.792 -7.890 -0.878 1.00 0.38 C ATOM 516 C VAL A 34 6.296 -9.132 -0.100 1.00 0.43 C ATOM 517 O VAL A 34 6.350 -9.170 1.128 1.00 0.52 O ATOM 518 CB VAL A 34 5.931 -6.665 -0.545 1.00 0.45 C ATOM 519 CG1 VAL A 34 4.456 -7.001 -0.527 1.00 0.60 C ATOM 520 CG2 VAL A 34 6.293 -6.022 0.791 1.00 0.46 C ATOM 0 H VAL A 34 5.929 -7.600 -2.749 1.00 0.39 H new ATOM 0 HA VAL A 34 7.828 -7.739 -0.576 1.00 0.38 H new ATOM 0 HB VAL A 34 6.141 -5.952 -1.342 1.00 0.45 H new ATOM 0 HG11 VAL A 34 3.882 -6.106 -0.287 1.00 0.60 H new ATOM 0 HG12 VAL A 34 4.156 -7.373 -1.506 1.00 0.60 H new ATOM 0 HG13 VAL A 34 4.266 -7.766 0.226 1.00 0.60 H new ATOM 0 HG21 VAL A 34 5.648 -5.161 0.967 1.00 0.46 H new ATOM 0 HG22 VAL A 34 6.157 -6.748 1.593 1.00 0.46 H new ATOM 0 HG23 VAL A 34 7.333 -5.697 0.768 1.00 0.46 H new ATOM 530 N GLY A 35 5.707 -10.119 -0.787 1.00 0.45 N ATOM 531 CA GLY A 35 5.089 -11.292 -0.179 1.00 0.54 C ATOM 532 C GLY A 35 3.986 -11.000 0.842 1.00 0.46 C ATOM 533 O GLY A 35 3.772 -11.808 1.737 1.00 0.45 O ATOM 0 H GLY A 35 5.648 -10.119 -1.805 1.00 0.45 H new ATOM 0 HA2 GLY A 35 4.672 -11.913 -0.971 1.00 0.54 H new ATOM 0 HA3 GLY A 35 5.867 -11.879 0.310 1.00 0.54 H new ATOM 537 N LEU A 36 3.267 -9.878 0.748 1.00 0.44 N ATOM 538 CA LEU A 36 2.270 -9.479 1.747 1.00 0.37 C ATOM 539 C LEU A 36 1.135 -10.499 1.851 1.00 0.41 C ATOM 540 O LEU A 36 0.823 -10.974 2.936 1.00 0.45 O ATOM 541 CB LEU A 36 1.714 -8.084 1.423 1.00 0.37 C ATOM 542 CG LEU A 36 2.387 -6.931 2.178 1.00 0.61 C ATOM 543 CD1 LEU A 36 1.826 -5.594 1.695 1.00 0.48 C ATOM 544 CD2 LEU A 36 2.136 -7.063 3.661 1.00 1.10 C ATOM 0 H LEU A 36 3.360 -9.219 -0.025 1.00 0.44 H new ATOM 0 HA LEU A 36 2.769 -9.443 2.716 1.00 0.37 H new ATOM 0 HB2 LEU A 36 1.817 -7.907 0.352 1.00 0.37 H new ATOM 0 HB3 LEU A 36 0.647 -8.073 1.647 1.00 0.37 H new ATOM 0 HG LEU A 36 3.459 -6.970 1.986 1.00 0.61 H new ATOM 0 HD11 LEU A 36 2.309 -4.780 2.236 1.00 0.48 H new ATOM 0 HD12 LEU A 36 2.017 -5.484 0.627 1.00 0.48 H new ATOM 0 HD13 LEU A 36 0.752 -5.563 1.877 1.00 0.48 H new ATOM 0 HD21 LEU A 36 2.619 -6.239 4.186 1.00 1.10 H new ATOM 0 HD22 LEU A 36 1.063 -7.037 3.852 1.00 1.10 H new ATOM 0 HD23 LEU A 36 2.545 -8.009 4.016 1.00 1.10 H new ATOM 556 N LYS A 37 0.596 -10.892 0.695 1.00 0.41 N ATOM 557 CA LYS A 37 -0.325 -12.039 0.531 1.00 0.44 C ATOM 558 C LYS A 37 0.242 -13.385 1.030 1.00 0.43 C ATOM 559 O LYS A 37 -0.539 -14.298 1.279 1.00 0.44 O ATOM 560 CB LYS A 37 -0.734 -12.209 -0.945 1.00 0.55 C ATOM 561 CG LYS A 37 -1.844 -11.248 -1.395 1.00 0.73 C ATOM 562 CD LYS A 37 -2.443 -11.646 -2.750 1.00 0.79 C ATOM 563 CE LYS A 37 -1.425 -11.555 -3.891 1.00 0.90 C ATOM 564 NZ LYS A 37 -2.010 -12.028 -5.166 1.00 1.39 N ATOM 0 H LYS A 37 0.789 -10.412 -0.184 1.00 0.41 H new ATOM 0 HA LYS A 37 -1.185 -11.793 1.153 1.00 0.44 H new ATOM 0 HB2 LYS A 37 0.142 -12.057 -1.575 1.00 0.55 H new ATOM 0 HB3 LYS A 37 -1.067 -13.234 -1.104 1.00 0.55 H new ATOM 0 HG2 LYS A 37 -2.633 -11.229 -0.643 1.00 0.73 H new ATOM 0 HG3 LYS A 37 -1.442 -10.237 -1.461 1.00 0.73 H new ATOM 0 HD2 LYS A 37 -2.826 -12.665 -2.689 1.00 0.79 H new ATOM 0 HD3 LYS A 37 -3.292 -10.999 -2.972 1.00 0.79 H new ATOM 0 HE2 LYS A 37 -1.089 -10.524 -4.002 1.00 0.90 H new ATOM 0 HE3 LYS A 37 -0.546 -12.152 -3.647 1.00 0.90 H new ATOM 0 HZ1 LYS A 37 -1.249 -12.342 -5.802 1.00 1.39 H new ATOM 0 HZ2 LYS A 37 -2.655 -12.822 -4.979 1.00 1.39 H new ATOM 0 HZ3 LYS A 37 -2.538 -11.252 -5.615 1.00 1.39 H new ATOM 578 N LYS A 38 1.574 -13.535 1.147 1.00 0.45 N ATOM 579 CA LYS A 38 2.254 -14.726 1.697 1.00 0.48 C ATOM 580 C LYS A 38 2.408 -14.641 3.226 1.00 0.46 C ATOM 581 O LYS A 38 2.558 -15.669 3.881 1.00 0.50 O ATOM 582 CB LYS A 38 3.594 -14.976 0.949 1.00 0.59 C ATOM 583 CG LYS A 38 4.899 -14.760 1.754 1.00 1.19 C ATOM 584 CD LYS A 38 6.153 -14.589 0.872 1.00 1.26 C ATOM 585 CE LYS A 38 7.220 -13.788 1.644 1.00 1.98 C ATOM 586 NZ LYS A 38 8.414 -13.451 0.829 1.00 2.87 N ATOM 0 H LYS A 38 2.228 -12.810 0.853 1.00 0.45 H new ATOM 0 HA LYS A 38 1.628 -15.601 1.522 1.00 0.48 H new ATOM 0 HB2 LYS A 38 3.590 -16.001 0.580 1.00 0.59 H new ATOM 0 HB3 LYS A 38 3.622 -14.323 0.077 1.00 0.59 H new ATOM 0 HG2 LYS A 38 4.785 -13.877 2.383 1.00 1.19 H new ATOM 0 HG3 LYS A 38 5.048 -15.609 2.421 1.00 1.19 H new ATOM 0 HD2 LYS A 38 6.549 -15.565 0.591 1.00 1.26 H new ATOM 0 HD3 LYS A 38 5.893 -14.072 -0.052 1.00 1.26 H new ATOM 0 HE2 LYS A 38 6.772 -12.866 2.016 1.00 1.98 H new ATOM 0 HE3 LYS A 38 7.535 -14.363 2.515 1.00 1.98 H new ATOM 0 HZ1 LYS A 38 9.221 -13.261 1.457 1.00 2.87 H new ATOM 0 HZ2 LYS A 38 8.644 -14.249 0.203 1.00 2.87 H new ATOM 0 HZ3 LYS A 38 8.216 -12.607 0.255 1.00 2.87 H new ATOM 600 N LYS A 39 2.372 -13.424 3.785 1.00 0.47 N ATOM 601 CA LYS A 39 2.250 -13.141 5.217 1.00 0.47 C ATOM 602 C LYS A 39 0.806 -13.363 5.693 1.00 0.46 C ATOM 603 O LYS A 39 -0.100 -13.577 4.888 1.00 0.49 O ATOM 604 CB LYS A 39 2.771 -11.711 5.490 1.00 0.51 C ATOM 605 CG LYS A 39 4.027 -11.735 6.371 1.00 0.94 C ATOM 606 CD LYS A 39 5.254 -12.362 5.688 1.00 0.67 C ATOM 607 CE LYS A 39 6.242 -12.815 6.771 1.00 1.36 C ATOM 608 NZ LYS A 39 7.568 -13.156 6.204 1.00 2.11 N ATOM 0 H LYS A 39 2.430 -12.574 3.224 1.00 0.47 H new ATOM 0 HA LYS A 39 2.862 -13.833 5.796 1.00 0.47 H new ATOM 0 HB2 LYS A 39 2.996 -11.217 4.545 1.00 0.51 H new ATOM 0 HB3 LYS A 39 1.993 -11.125 5.978 1.00 0.51 H new ATOM 0 HG2 LYS A 39 4.270 -10.715 6.668 1.00 0.94 H new ATOM 0 HG3 LYS A 39 3.808 -12.289 7.284 1.00 0.94 H new ATOM 0 HD2 LYS A 39 4.952 -13.210 5.073 1.00 0.67 H new ATOM 0 HD3 LYS A 39 5.727 -11.639 5.023 1.00 0.67 H new ATOM 0 HE2 LYS A 39 6.357 -12.023 7.511 1.00 1.36 H new ATOM 0 HE3 LYS A 39 5.836 -13.682 7.292 1.00 1.36 H new ATOM 0 HZ1 LYS A 39 8.106 -13.719 6.893 1.00 2.11 H new ATOM 0 HZ2 LYS A 39 7.441 -13.707 5.331 1.00 2.11 H new ATOM 0 HZ3 LYS A 39 8.089 -12.282 5.989 1.00 2.11 H new ATOM 622 N SER A 40 0.594 -13.377 7.012 1.00 0.47 N ATOM 623 CA SER A 40 -0.703 -13.722 7.596 1.00 0.51 C ATOM 624 C SER A 40 -1.782 -12.652 7.369 1.00 0.60 C ATOM 625 O SER A 40 -1.496 -11.487 7.088 1.00 0.73 O ATOM 626 CB SER A 40 -0.528 -14.028 9.089 1.00 0.52 C ATOM 627 OG SER A 40 -1.703 -14.611 9.622 1.00 1.55 O ATOM 0 H SER A 40 1.312 -13.151 7.700 1.00 0.47 H new ATOM 0 HA SER A 40 -1.064 -14.611 7.079 1.00 0.51 H new ATOM 0 HB2 SER A 40 0.315 -14.704 9.230 1.00 0.52 H new ATOM 0 HB3 SER A 40 -0.295 -13.110 9.628 1.00 0.52 H new ATOM 0 HG SER A 40 -1.571 -14.800 10.574 1.00 1.55 H new ATOM 633 N ALA A 41 -3.043 -13.024 7.594 1.00 0.61 N ATOM 634 CA ALA A 41 -4.144 -12.072 7.720 1.00 0.64 C ATOM 635 C ALA A 41 -3.901 -11.115 8.896 1.00 0.63 C ATOM 636 O ALA A 41 -4.049 -9.897 8.768 1.00 0.57 O ATOM 637 CB ALA A 41 -5.442 -12.855 7.926 1.00 0.79 C ATOM 0 H ALA A 41 -3.329 -13.998 7.694 1.00 0.61 H new ATOM 0 HA ALA A 41 -4.215 -11.471 6.814 1.00 0.64 H new ATOM 0 HB1 ALA A 41 -6.275 -12.159 8.022 1.00 0.79 H new ATOM 0 HB2 ALA A 41 -5.612 -13.509 7.071 1.00 0.79 H new ATOM 0 HB3 ALA A 41 -5.365 -13.456 8.832 1.00 0.79 H new ATOM 643 N ASP A 42 -3.484 -11.671 10.042 1.00 0.70 N ATOM 644 CA ASP A 42 -3.183 -10.880 11.229 1.00 0.75 C ATOM 645 C ASP A 42 -1.939 -10.005 11.044 1.00 0.66 C ATOM 646 O ASP A 42 -1.882 -8.931 11.629 1.00 0.73 O ATOM 647 CB ASP A 42 -3.054 -11.774 12.474 1.00 0.89 C ATOM 648 CG ASP A 42 -4.092 -11.362 13.520 1.00 1.65 C ATOM 649 OD1 ASP A 42 -3.908 -10.265 14.102 1.00 2.62 O ATOM 650 OD2 ASP A 42 -5.076 -12.109 13.688 1.00 2.70 O ATOM 0 H ASP A 42 -3.349 -12.674 10.166 1.00 0.70 H new ATOM 0 HA ASP A 42 -4.025 -10.205 11.382 1.00 0.75 H new ATOM 0 HB2 ASP A 42 -3.197 -12.819 12.199 1.00 0.89 H new ATOM 0 HB3 ASP A 42 -2.051 -11.689 12.891 1.00 0.89 H new ATOM 655 N ASP A 43 -0.982 -10.420 10.209 1.00 0.58 N ATOM 656 CA ASP A 43 0.153 -9.611 9.754 1.00 0.53 C ATOM 657 C ASP A 43 -0.370 -8.415 8.947 1.00 0.45 C ATOM 658 O ASP A 43 -0.148 -7.263 9.328 1.00 0.52 O ATOM 659 CB ASP A 43 1.108 -10.474 8.909 1.00 0.53 C ATOM 660 CG ASP A 43 1.940 -11.473 9.711 1.00 2.16 C ATOM 661 OD1 ASP A 43 2.334 -11.131 10.846 1.00 3.04 O ATOM 662 OD2 ASP A 43 2.152 -12.580 9.161 1.00 3.58 O ATOM 0 H ASP A 43 -0.976 -11.362 9.817 1.00 0.58 H new ATOM 0 HA ASP A 43 0.709 -9.237 10.613 1.00 0.53 H new ATOM 0 HB2 ASP A 43 0.524 -11.020 8.168 1.00 0.53 H new ATOM 0 HB3 ASP A 43 1.783 -9.816 8.361 1.00 0.53 H new ATOM 667 N VAL A 44 -1.132 -8.690 7.878 1.00 0.39 N ATOM 668 CA VAL A 44 -1.811 -7.705 7.023 1.00 0.38 C ATOM 669 C VAL A 44 -2.540 -6.624 7.833 1.00 0.40 C ATOM 670 O VAL A 44 -2.457 -5.443 7.495 1.00 0.44 O ATOM 671 CB VAL A 44 -2.702 -8.448 5.996 1.00 0.41 C ATOM 672 CG1 VAL A 44 -4.139 -7.944 5.865 1.00 0.79 C ATOM 673 CG2 VAL A 44 -2.036 -8.425 4.611 1.00 0.72 C ATOM 0 H VAL A 44 -1.299 -9.649 7.572 1.00 0.39 H new ATOM 0 HA VAL A 44 -1.067 -7.142 6.459 1.00 0.38 H new ATOM 0 HB VAL A 44 -2.786 -9.459 6.394 1.00 0.41 H new ATOM 0 HG11 VAL A 44 -4.666 -8.538 5.119 1.00 0.79 H new ATOM 0 HG12 VAL A 44 -4.646 -8.035 6.826 1.00 0.79 H new ATOM 0 HG13 VAL A 44 -4.131 -6.898 5.557 1.00 0.79 H new ATOM 0 HG21 VAL A 44 -2.668 -8.949 3.894 1.00 0.72 H new ATOM 0 HG22 VAL A 44 -1.902 -7.392 4.289 1.00 0.72 H new ATOM 0 HG23 VAL A 44 -1.065 -8.917 4.666 1.00 0.72 H new ATOM 683 N LYS A 45 -3.169 -6.997 8.958 1.00 0.45 N ATOM 684 CA LYS A 45 -3.819 -6.075 9.896 1.00 0.57 C ATOM 685 C LYS A 45 -2.914 -4.941 10.398 1.00 0.61 C ATOM 686 O LYS A 45 -3.405 -3.835 10.621 1.00 0.98 O ATOM 687 CB LYS A 45 -4.465 -6.842 11.061 1.00 0.65 C ATOM 688 CG LYS A 45 -5.942 -6.444 11.158 1.00 1.31 C ATOM 689 CD LYS A 45 -6.556 -6.864 12.498 1.00 1.58 C ATOM 690 CE LYS A 45 -8.072 -6.649 12.464 1.00 1.99 C ATOM 691 NZ LYS A 45 -8.665 -6.727 13.819 1.00 2.70 N ATOM 0 H LYS A 45 -3.240 -7.973 9.246 1.00 0.45 H new ATOM 0 HA LYS A 45 -4.603 -5.577 9.325 1.00 0.57 H new ATOM 0 HB2 LYS A 45 -4.374 -7.916 10.902 1.00 0.65 H new ATOM 0 HB3 LYS A 45 -3.951 -6.613 11.994 1.00 0.65 H new ATOM 0 HG2 LYS A 45 -6.037 -5.365 11.037 1.00 1.31 H new ATOM 0 HG3 LYS A 45 -6.498 -6.906 10.342 1.00 1.31 H new ATOM 0 HD2 LYS A 45 -6.332 -7.912 12.698 1.00 1.58 H new ATOM 0 HD3 LYS A 45 -6.115 -6.283 13.308 1.00 1.58 H new ATOM 0 HE2 LYS A 45 -8.292 -5.676 12.026 1.00 1.99 H new ATOM 0 HE3 LYS A 45 -8.532 -7.400 11.821 1.00 1.99 H new ATOM 0 HZ1 LYS A 45 -9.692 -6.577 13.758 1.00 2.70 H new ATOM 0 HZ2 LYS A 45 -8.476 -7.665 14.227 1.00 2.70 H new ATOM 0 HZ3 LYS A 45 -8.244 -5.994 14.425 1.00 2.70 H new ATOM 705 N LYS A 46 -1.608 -5.195 10.554 1.00 0.43 N ATOM 706 CA LYS A 46 -0.599 -4.210 10.976 1.00 0.48 C ATOM 707 C LYS A 46 0.080 -3.543 9.772 1.00 0.45 C ATOM 708 O LYS A 46 0.571 -2.425 9.905 1.00 0.53 O ATOM 709 CB LYS A 46 0.463 -4.853 11.888 1.00 0.53 C ATOM 710 CG LYS A 46 -0.029 -5.355 13.262 1.00 0.96 C ATOM 711 CD LYS A 46 -0.839 -6.645 13.174 1.00 1.58 C ATOM 712 CE LYS A 46 -1.088 -7.329 14.519 1.00 1.89 C ATOM 713 NZ LYS A 46 -1.957 -8.507 14.307 1.00 2.62 N ATOM 0 H LYS A 46 -1.211 -6.119 10.385 1.00 0.43 H new ATOM 0 HA LYS A 46 -1.125 -3.441 11.541 1.00 0.48 H new ATOM 0 HB2 LYS A 46 0.907 -5.694 11.356 1.00 0.53 H new ATOM 0 HB3 LYS A 46 1.257 -4.125 12.054 1.00 0.53 H new ATOM 0 HG2 LYS A 46 0.831 -5.517 13.912 1.00 0.96 H new ATOM 0 HG3 LYS A 46 -0.639 -4.581 13.727 1.00 0.96 H new ATOM 0 HD2 LYS A 46 -1.800 -6.425 12.709 1.00 1.58 H new ATOM 0 HD3 LYS A 46 -0.319 -7.342 12.517 1.00 1.58 H new ATOM 0 HE2 LYS A 46 -0.142 -7.635 14.967 1.00 1.89 H new ATOM 0 HE3 LYS A 46 -1.559 -6.634 15.213 1.00 1.89 H new ATOM 0 HZ1 LYS A 46 -2.919 -8.293 14.639 1.00 2.62 H new ATOM 0 HZ2 LYS A 46 -1.984 -8.740 13.294 1.00 2.62 H new ATOM 0 HZ3 LYS A 46 -1.579 -9.317 14.839 1.00 2.62 H new ATOM 727 N VAL A 47 0.063 -4.193 8.600 1.00 0.39 N ATOM 728 CA VAL A 47 0.541 -3.651 7.316 1.00 0.34 C ATOM 729 C VAL A 47 -0.228 -2.386 6.974 1.00 0.33 C ATOM 730 O VAL A 47 0.373 -1.318 6.926 1.00 0.34 O ATOM 731 CB VAL A 47 0.447 -4.686 6.180 1.00 0.39 C ATOM 732 CG1 VAL A 47 0.835 -4.119 4.808 1.00 0.39 C ATOM 733 CG2 VAL A 47 1.320 -5.906 6.505 1.00 0.49 C ATOM 0 H VAL A 47 -0.296 -5.144 8.515 1.00 0.39 H new ATOM 0 HA VAL A 47 1.597 -3.405 7.424 1.00 0.34 H new ATOM 0 HB VAL A 47 -0.601 -4.979 6.114 1.00 0.39 H new ATOM 0 HG11 VAL A 47 0.747 -4.900 4.053 1.00 0.39 H new ATOM 0 HG12 VAL A 47 0.171 -3.293 4.555 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.864 -3.760 4.840 1.00 0.39 H new ATOM 0 HG21 VAL A 47 1.246 -6.632 5.695 1.00 0.49 H new ATOM 0 HG22 VAL A 47 2.358 -5.591 6.617 1.00 0.49 H new ATOM 0 HG23 VAL A 47 0.977 -6.362 7.434 1.00 0.49 H new ATOM 743 N PHE A 48 -1.554 -2.474 6.795 1.00 0.35 N ATOM 744 CA PHE A 48 -2.394 -1.306 6.529 1.00 0.38 C ATOM 745 C PHE A 48 -2.164 -0.160 7.531 1.00 0.36 C ATOM 746 O PHE A 48 -2.014 1.003 7.150 1.00 0.36 O ATOM 747 CB PHE A 48 -3.829 -1.802 6.584 1.00 0.45 C ATOM 748 CG PHE A 48 -4.856 -0.706 6.524 1.00 0.47 C ATOM 749 CD1 PHE A 48 -5.081 -0.035 5.311 1.00 1.88 C ATOM 750 CD2 PHE A 48 -5.578 -0.358 7.681 1.00 1.49 C ATOM 751 CE1 PHE A 48 -6.035 0.987 5.261 1.00 1.96 C ATOM 752 CE2 PHE A 48 -6.550 0.647 7.618 1.00 1.48 C ATOM 753 CZ PHE A 48 -6.768 1.324 6.408 1.00 0.73 C ATOM 0 H PHE A 48 -2.069 -3.354 6.831 1.00 0.35 H new ATOM 0 HA PHE A 48 -2.147 -0.880 5.557 1.00 0.38 H new ATOM 0 HB2 PHE A 48 -3.997 -2.490 5.755 1.00 0.45 H new ATOM 0 HB3 PHE A 48 -3.972 -2.370 7.503 1.00 0.45 H new ATOM 0 HD1 PHE A 48 -4.524 -0.305 4.426 1.00 1.88 H new ATOM 0 HD2 PHE A 48 -5.383 -0.865 8.614 1.00 1.49 H new ATOM 0 HE1 PHE A 48 -6.207 1.518 4.336 1.00 1.96 H new ATOM 0 HE2 PHE A 48 -7.128 0.900 8.494 1.00 1.48 H new ATOM 0 HZ PHE A 48 -7.506 2.111 6.360 1.00 0.73 H new ATOM 763 N HIS A 49 -2.051 -0.528 8.810 1.00 0.38 N ATOM 764 CA HIS A 49 -1.784 0.352 9.944 1.00 0.37 C ATOM 765 C HIS A 49 -0.481 1.164 9.830 1.00 0.36 C ATOM 766 O HIS A 49 -0.319 2.134 10.570 1.00 0.59 O ATOM 767 CB HIS A 49 -1.764 -0.511 11.218 1.00 0.51 C ATOM 768 CG HIS A 49 -2.567 0.058 12.353 1.00 1.06 C ATOM 769 ND1 HIS A 49 -2.567 1.368 12.771 1.00 2.07 N ATOM 770 CD2 HIS A 49 -3.447 -0.638 13.136 1.00 2.26 C ATOM 771 CE1 HIS A 49 -3.440 1.461 13.792 1.00 2.53 C ATOM 772 NE2 HIS A 49 -3.991 0.264 14.053 1.00 2.64 N ATOM 0 H HIS A 49 -2.149 -1.503 9.095 1.00 0.38 H new ATOM 0 HA HIS A 49 -2.578 1.098 9.971 1.00 0.37 H new ATOM 0 HB2 HIS A 49 -2.145 -1.504 10.978 1.00 0.51 H new ATOM 0 HB3 HIS A 49 -0.731 -0.636 11.544 1.00 0.51 H new ATOM 0 HD2 HIS A 49 -3.678 -1.690 13.059 1.00 2.26 H new ATOM 0 HE1 HIS A 49 -3.666 2.372 14.327 1.00 2.53 H new ATOM 0 HE2 HIS A 49 -4.675 0.054 14.780 1.00 2.64 H new ATOM 780 N MET A 50 0.435 0.778 8.931 1.00 0.34 N ATOM 781 CA MET A 50 1.695 1.464 8.640 1.00 0.41 C ATOM 782 C MET A 50 1.547 2.550 7.557 1.00 0.40 C ATOM 783 O MET A 50 2.308 3.517 7.566 1.00 0.52 O ATOM 784 CB MET A 50 2.705 0.397 8.192 1.00 0.52 C ATOM 785 CG MET A 50 4.172 0.801 8.317 1.00 0.75 C ATOM 786 SD MET A 50 4.934 0.535 9.942 1.00 1.42 S ATOM 787 CE MET A 50 4.713 2.166 10.694 1.00 1.61 C ATOM 0 H MET A 50 0.309 -0.060 8.363 1.00 0.34 H new ATOM 0 HA MET A 50 2.033 1.981 9.538 1.00 0.41 H new ATOM 0 HB2 MET A 50 2.541 -0.506 8.781 1.00 0.52 H new ATOM 0 HB3 MET A 50 2.502 0.141 7.152 1.00 0.52 H new ATOM 0 HG2 MET A 50 4.745 0.247 7.574 1.00 0.75 H new ATOM 0 HG3 MET A 50 4.260 1.858 8.065 1.00 0.75 H new ATOM 0 HE1 MET A 50 5.483 2.326 11.448 1.00 1.61 H new ATOM 0 HE2 MET A 50 4.792 2.935 9.925 1.00 1.61 H new ATOM 0 HE3 MET A 50 3.730 2.221 11.162 1.00 1.61 H new ATOM 797 N LEU A 51 0.582 2.402 6.636 1.00 0.39 N ATOM 798 CA LEU A 51 0.274 3.372 5.577 1.00 0.38 C ATOM 799 C LEU A 51 -0.564 4.535 6.130 1.00 0.42 C ATOM 800 O LEU A 51 -0.372 5.679 5.725 1.00 0.48 O ATOM 801 CB LEU A 51 -0.519 2.711 4.432 1.00 0.47 C ATOM 802 CG LEU A 51 0.205 1.647 3.584 1.00 0.79 C ATOM 803 CD1 LEU A 51 0.469 0.356 4.361 1.00 1.64 C ATOM 804 CD2 LEU A 51 -0.675 1.273 2.388 1.00 2.14 C ATOM 0 H LEU A 51 -0.022 1.580 6.608 1.00 0.39 H new ATOM 0 HA LEU A 51 1.226 3.744 5.198 1.00 0.38 H new ATOM 0 HB2 LEU A 51 -1.408 2.250 4.862 1.00 0.47 H new ATOM 0 HB3 LEU A 51 -0.861 3.499 3.761 1.00 0.47 H new ATOM 0 HG LEU A 51 1.158 2.082 3.281 1.00 0.79 H new ATOM 0 HD11 LEU A 51 0.981 -0.359 3.716 1.00 1.64 H new ATOM 0 HD12 LEU A 51 1.093 0.574 5.228 1.00 1.64 H new ATOM 0 HD13 LEU A 51 -0.478 -0.069 4.693 1.00 1.64 H new ATOM 0 HD21 LEU A 51 -0.168 0.520 1.784 1.00 2.14 H new ATOM 0 HD22 LEU A 51 -1.624 0.872 2.745 1.00 2.14 H new ATOM 0 HD23 LEU A 51 -0.861 2.160 1.782 1.00 2.14 H new ATOM 816 N ASP A 52 -1.481 4.234 7.058 1.00 0.44 N ATOM 817 CA ASP A 52 -2.246 5.205 7.841 1.00 0.54 C ATOM 818 C ASP A 52 -1.309 6.006 8.765 1.00 0.63 C ATOM 819 O ASP A 52 -1.053 5.639 9.914 1.00 0.91 O ATOM 820 CB ASP A 52 -3.375 4.481 8.603 1.00 0.64 C ATOM 821 CG ASP A 52 -4.739 4.805 8.008 1.00 1.14 C ATOM 822 OD1 ASP A 52 -5.036 4.314 6.906 1.00 2.91 O ATOM 823 OD2 ASP A 52 -5.501 5.567 8.647 1.00 1.24 O ATOM 0 H ASP A 52 -1.717 3.269 7.291 1.00 0.44 H new ATOM 0 HA ASP A 52 -2.719 5.931 7.179 1.00 0.54 H new ATOM 0 HB2 ASP A 52 -3.207 3.404 8.569 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -3.355 4.774 9.653 1.00 0.64 H new ATOM 828 N LYS A 53 -0.775 7.116 8.251 1.00 0.58 N ATOM 829 CA LYS A 53 0.153 8.015 8.937 1.00 0.67 C ATOM 830 C LYS A 53 -0.543 8.789 10.056 1.00 0.75 C ATOM 831 O LYS A 53 0.023 8.927 11.138 1.00 1.33 O ATOM 832 CB LYS A 53 0.774 8.986 7.922 1.00 0.79 C ATOM 833 CG LYS A 53 1.462 8.265 6.743 1.00 1.21 C ATOM 834 CD LYS A 53 2.805 8.913 6.397 1.00 1.80 C ATOM 835 CE LYS A 53 3.839 8.509 7.455 1.00 2.16 C ATOM 836 NZ LYS A 53 4.926 9.506 7.564 1.00 3.06 N ATOM 0 H LYS A 53 -0.988 7.426 7.303 1.00 0.58 H new ATOM 0 HA LYS A 53 0.939 7.414 9.393 1.00 0.67 H new ATOM 0 HB2 LYS A 53 -0.003 9.645 7.535 1.00 0.79 H new ATOM 0 HB3 LYS A 53 1.503 9.617 8.430 1.00 0.79 H new ATOM 0 HG2 LYS A 53 1.617 7.216 6.997 1.00 1.21 H new ATOM 0 HG3 LYS A 53 0.810 8.288 5.870 1.00 1.21 H new ATOM 0 HD2 LYS A 53 3.134 8.594 5.408 1.00 1.80 H new ATOM 0 HD3 LYS A 53 2.703 9.998 6.365 1.00 1.80 H new ATOM 0 HE2 LYS A 53 3.347 8.399 8.422 1.00 2.16 H new ATOM 0 HE3 LYS A 53 4.261 7.537 7.200 1.00 2.16 H new ATOM 0 HZ1 LYS A 53 5.606 9.200 8.289 1.00 3.06 H new ATOM 0 HZ2 LYS A 53 5.411 9.592 6.648 1.00 3.06 H new ATOM 0 HZ3 LYS A 53 4.526 10.428 7.832 1.00 3.06 H new ATOM 850 N ASP A 54 -1.780 9.231 9.811 1.00 0.90 N ATOM 851 CA ASP A 54 -2.679 9.793 10.830 1.00 0.87 C ATOM 852 C ASP A 54 -3.233 8.734 11.808 1.00 0.92 C ATOM 853 O ASP A 54 -3.875 9.094 12.794 1.00 1.06 O ATOM 854 CB ASP A 54 -3.827 10.564 10.145 1.00 0.92 C ATOM 855 CG ASP A 54 -4.759 9.683 9.308 1.00 1.02 C ATOM 856 OD1 ASP A 54 -4.848 8.454 9.499 1.00 1.35 O ATOM 857 OD2 ASP A 54 -5.437 10.143 8.362 1.00 2.12 O ATOM 0 H ASP A 54 -2.196 9.209 8.880 1.00 0.90 H new ATOM 0 HA ASP A 54 -2.087 10.478 11.437 1.00 0.87 H new ATOM 0 HB2 ASP A 54 -4.415 11.073 10.909 1.00 0.92 H new ATOM 0 HB3 ASP A 54 -3.401 11.335 9.504 1.00 0.92 H new ATOM 862 N LYS A 55 -2.991 7.438 11.537 1.00 1.03 N ATOM 863 CA LYS A 55 -3.478 6.267 12.278 1.00 1.19 C ATOM 864 C LYS A 55 -5.008 6.193 12.442 1.00 1.18 C ATOM 865 O LYS A 55 -5.476 5.436 13.291 1.00 1.66 O ATOM 866 CB LYS A 55 -2.699 6.133 13.607 1.00 1.45 C ATOM 867 CG LYS A 55 -1.188 5.922 13.403 1.00 2.02 C ATOM 868 CD LYS A 55 -0.847 4.490 12.957 1.00 2.20 C ATOM 869 CE LYS A 55 0.549 4.387 12.336 1.00 2.73 C ATOM 870 NZ LYS A 55 1.601 4.943 13.216 1.00 3.24 N ATOM 0 H LYS A 55 -2.412 7.167 10.742 1.00 1.03 H new ATOM 0 HA LYS A 55 -3.269 5.389 11.667 1.00 1.19 H new ATOM 0 HB2 LYS A 55 -2.857 7.030 14.206 1.00 1.45 H new ATOM 0 HB3 LYS A 55 -3.103 5.295 14.175 1.00 1.45 H new ATOM 0 HG2 LYS A 55 -0.824 6.628 12.657 1.00 2.02 H new ATOM 0 HG3 LYS A 55 -0.665 6.143 14.333 1.00 2.02 H new ATOM 0 HD2 LYS A 55 -0.910 3.821 13.815 1.00 2.20 H new ATOM 0 HD3 LYS A 55 -1.589 4.152 12.234 1.00 2.20 H new ATOM 0 HE2 LYS A 55 0.773 3.342 12.123 1.00 2.73 H new ATOM 0 HE3 LYS A 55 0.560 4.916 11.383 1.00 2.73 H new ATOM 0 HZ1 LYS A 55 2.537 4.715 12.825 1.00 3.24 H new ATOM 0 HZ2 LYS A 55 1.493 5.976 13.276 1.00 3.24 H new ATOM 0 HZ3 LYS A 55 1.513 4.530 14.166 1.00 3.24 H new ATOM 884 N SER A 56 -5.799 6.921 11.638 1.00 0.88 N ATOM 885 CA SER A 56 -7.264 6.946 11.770 1.00 0.88 C ATOM 886 C SER A 56 -7.959 5.644 11.346 1.00 0.84 C ATOM 887 O SER A 56 -9.077 5.392 11.791 1.00 1.00 O ATOM 888 CB SER A 56 -7.877 8.155 11.048 1.00 0.94 C ATOM 889 OG SER A 56 -7.917 8.035 9.635 1.00 0.85 O ATOM 0 H SER A 56 -5.443 7.506 10.882 1.00 0.88 H new ATOM 0 HA SER A 56 -7.448 7.045 12.840 1.00 0.88 H new ATOM 0 HB2 SER A 56 -8.892 8.307 11.416 1.00 0.94 H new ATOM 0 HB3 SER A 56 -7.306 9.046 11.309 1.00 0.94 H new ATOM 0 HG SER A 56 -7.012 8.134 9.273 1.00 0.85 H new ATOM 895 N GLY A 57 -7.300 4.808 10.534 1.00 0.80 N ATOM 896 CA GLY A 57 -7.764 3.490 10.097 1.00 0.82 C ATOM 897 C GLY A 57 -8.337 3.471 8.674 1.00 0.65 C ATOM 898 O GLY A 57 -9.107 2.571 8.347 1.00 0.63 O ATOM 0 H GLY A 57 -6.387 5.045 10.147 1.00 0.80 H new ATOM 0 HA2 GLY A 57 -6.933 2.787 10.153 1.00 0.82 H new ATOM 0 HA3 GLY A 57 -8.528 3.137 10.790 1.00 0.82 H new ATOM 902 N PHE A 58 -7.993 4.463 7.844 1.00 0.62 N ATOM 903 CA PHE A 58 -8.555 4.709 6.512 1.00 0.50 C ATOM 904 C PHE A 58 -7.523 5.444 5.644 1.00 0.49 C ATOM 905 O PHE A 58 -7.168 6.572 5.994 1.00 0.76 O ATOM 906 CB PHE A 58 -9.822 5.577 6.650 1.00 0.62 C ATOM 907 CG PHE A 58 -10.832 5.140 7.695 1.00 0.87 C ATOM 908 CD1 PHE A 58 -11.736 4.095 7.423 1.00 1.24 C ATOM 909 CD2 PHE A 58 -10.842 5.760 8.959 1.00 2.54 C ATOM 910 CE1 PHE A 58 -12.639 3.670 8.415 1.00 1.30 C ATOM 911 CE2 PHE A 58 -11.743 5.334 9.950 1.00 2.83 C ATOM 912 CZ PHE A 58 -12.642 4.288 9.678 1.00 1.56 C ATOM 0 H PHE A 58 -7.281 5.149 8.096 1.00 0.62 H new ATOM 0 HA PHE A 58 -8.809 3.759 6.042 1.00 0.50 H new ATOM 0 HB2 PHE A 58 -9.513 6.597 6.879 1.00 0.62 H new ATOM 0 HB3 PHE A 58 -10.323 5.606 5.682 1.00 0.62 H new ATOM 0 HD1 PHE A 58 -11.736 3.620 6.453 1.00 1.24 H new ATOM 0 HD2 PHE A 58 -10.154 6.566 9.168 1.00 2.54 H new ATOM 0 HE1 PHE A 58 -13.331 2.868 8.206 1.00 1.30 H new ATOM 0 HE2 PHE A 58 -11.745 5.810 10.920 1.00 2.83 H new ATOM 0 HZ PHE A 58 -13.335 3.959 10.439 1.00 1.56 H new ATOM 922 N ILE A 59 -7.048 4.874 4.525 1.00 0.35 N ATOM 923 CA ILE A 59 -6.163 5.630 3.613 1.00 0.38 C ATOM 924 C ILE A 59 -7.030 6.403 2.616 1.00 0.34 C ATOM 925 O ILE A 59 -7.910 5.836 1.967 1.00 0.31 O ATOM 926 CB ILE A 59 -5.132 4.767 2.857 1.00 0.46 C ATOM 927 CG1 ILE A 59 -4.343 3.822 3.785 1.00 0.72 C ATOM 928 CG2 ILE A 59 -4.131 5.665 2.097 1.00 0.62 C ATOM 929 CD1 ILE A 59 -3.772 2.636 3.012 1.00 0.95 C ATOM 0 H ILE A 59 -7.252 3.919 4.232 1.00 0.35 H new ATOM 0 HA ILE A 59 -5.573 6.302 4.236 1.00 0.38 H new ATOM 0 HB ILE A 59 -5.703 4.154 2.160 1.00 0.46 H new ATOM 0 HG12 ILE A 59 -3.532 4.372 4.263 1.00 0.72 H new ATOM 0 HG13 ILE A 59 -4.996 3.461 4.580 1.00 0.72 H new ATOM 0 HG21 ILE A 59 -3.410 5.041 1.569 1.00 0.62 H new ATOM 0 HG22 ILE A 59 -4.670 6.284 1.379 1.00 0.62 H new ATOM 0 HG23 ILE A 59 -3.606 6.305 2.806 1.00 0.62 H new ATOM 0 HD11 ILE A 59 -3.221 1.988 3.694 1.00 0.95 H new ATOM 0 HD12 ILE A 59 -4.586 2.073 2.555 1.00 0.95 H new ATOM 0 HD13 ILE A 59 -3.100 2.998 2.234 1.00 0.95 H new ATOM 941 N GLU A 60 -6.725 7.693 2.494 1.00 0.42 N ATOM 942 CA GLU A 60 -7.317 8.685 1.597 1.00 0.47 C ATOM 943 C GLU A 60 -6.213 9.475 0.866 1.00 0.40 C ATOM 944 O GLU A 60 -5.041 9.392 1.245 1.00 0.35 O ATOM 945 CB GLU A 60 -8.272 9.588 2.403 1.00 0.64 C ATOM 946 CG GLU A 60 -7.635 10.349 3.589 1.00 1.47 C ATOM 947 CD GLU A 60 -8.503 10.243 4.858 1.00 1.17 C ATOM 948 OE1 GLU A 60 -9.559 10.913 4.930 1.00 2.22 O ATOM 949 OE2 GLU A 60 -8.165 9.418 5.739 1.00 1.05 O ATOM 0 H GLU A 60 -5.993 8.108 3.071 1.00 0.42 H new ATOM 0 HA GLU A 60 -7.904 8.193 0.822 1.00 0.47 H new ATOM 0 HB2 GLU A 60 -8.714 10.317 1.723 1.00 0.64 H new ATOM 0 HB3 GLU A 60 -9.087 8.974 2.785 1.00 0.64 H new ATOM 0 HG2 GLU A 60 -6.643 9.946 3.791 1.00 1.47 H new ATOM 0 HG3 GLU A 60 -7.505 11.398 3.322 1.00 1.47 H new ATOM 956 N GLU A 61 -6.583 10.221 -0.187 1.00 0.51 N ATOM 957 CA GLU A 61 -5.650 10.776 -1.196 1.00 0.59 C ATOM 958 C GLU A 61 -4.442 11.528 -0.613 1.00 0.58 C ATOM 959 O GLU A 61 -3.330 11.393 -1.125 1.00 0.58 O ATOM 960 CB GLU A 61 -6.381 11.667 -2.219 1.00 0.72 C ATOM 961 CG GLU A 61 -7.421 10.868 -3.015 1.00 2.75 C ATOM 962 CD GLU A 61 -7.991 11.628 -4.220 1.00 3.27 C ATOM 963 OE1 GLU A 61 -7.193 12.000 -5.111 1.00 3.75 O ATOM 964 OE2 GLU A 61 -9.229 11.802 -4.257 1.00 4.09 O ATOM 0 H GLU A 61 -7.557 10.463 -0.370 1.00 0.51 H new ATOM 0 HA GLU A 61 -5.246 9.897 -1.699 1.00 0.59 H new ATOM 0 HB2 GLU A 61 -6.872 12.491 -1.701 1.00 0.72 H new ATOM 0 HB3 GLU A 61 -5.656 12.107 -2.904 1.00 0.72 H new ATOM 0 HG2 GLU A 61 -6.965 9.941 -3.363 1.00 2.75 H new ATOM 0 HG3 GLU A 61 -8.240 10.591 -2.351 1.00 2.75 H new ATOM 971 N ASP A 62 -4.668 12.253 0.488 1.00 0.63 N ATOM 972 CA ASP A 62 -3.688 12.969 1.308 1.00 0.66 C ATOM 973 C ASP A 62 -2.457 12.104 1.645 1.00 0.60 C ATOM 974 O ASP A 62 -1.324 12.469 1.329 1.00 0.72 O ATOM 975 CB ASP A 62 -4.436 13.440 2.570 1.00 0.76 C ATOM 976 CG ASP A 62 -3.656 14.462 3.399 1.00 1.46 C ATOM 977 OD1 ASP A 62 -2.653 14.056 4.024 1.00 2.66 O ATOM 978 OD2 ASP A 62 -4.093 15.634 3.412 1.00 2.30 O ATOM 0 H ASP A 62 -5.613 12.362 0.856 1.00 0.63 H new ATOM 0 HA ASP A 62 -3.281 13.820 0.762 1.00 0.66 H new ATOM 0 HB2 ASP A 62 -5.390 13.876 2.275 1.00 0.76 H new ATOM 0 HB3 ASP A 62 -4.661 12.574 3.193 1.00 0.76 H new ATOM 983 N GLU A 63 -2.685 10.925 2.236 1.00 0.50 N ATOM 984 CA GLU A 63 -1.643 9.948 2.569 1.00 0.47 C ATOM 985 C GLU A 63 -1.294 9.068 1.367 1.00 0.35 C ATOM 986 O GLU A 63 -0.137 8.668 1.205 1.00 0.37 O ATOM 987 CB GLU A 63 -2.142 9.034 3.693 1.00 0.61 C ATOM 988 CG GLU A 63 -2.336 9.773 5.021 1.00 0.82 C ATOM 989 CD GLU A 63 -3.107 8.909 6.017 1.00 0.94 C ATOM 990 OE1 GLU A 63 -4.201 8.407 5.663 1.00 1.05 O ATOM 991 OE2 GLU A 63 -2.658 8.762 7.174 1.00 2.41 O ATOM 0 H GLU A 63 -3.620 10.617 2.502 1.00 0.50 H new ATOM 0 HA GLU A 63 -0.756 10.503 2.875 1.00 0.47 H new ATOM 0 HB2 GLU A 63 -3.087 8.581 3.394 1.00 0.61 H new ATOM 0 HB3 GLU A 63 -1.430 8.221 3.836 1.00 0.61 H new ATOM 0 HG2 GLU A 63 -1.365 10.039 5.439 1.00 0.82 H new ATOM 0 HG3 GLU A 63 -2.875 10.705 4.848 1.00 0.82 H new ATOM 998 N LEU A 64 -2.289 8.769 0.517 1.00 0.34 N ATOM 999 CA LEU A 64 -2.143 7.921 -0.661 1.00 0.42 C ATOM 1000 C LEU A 64 -1.062 8.436 -1.623 1.00 0.45 C ATOM 1001 O LEU A 64 -0.410 7.636 -2.289 1.00 0.59 O ATOM 1002 CB LEU A 64 -3.513 7.752 -1.330 1.00 0.60 C ATOM 1003 CG LEU A 64 -3.630 6.457 -2.154 1.00 0.71 C ATOM 1004 CD1 LEU A 64 -4.978 5.773 -1.895 1.00 0.97 C ATOM 1005 CD2 LEU A 64 -3.528 6.756 -3.642 1.00 1.39 C ATOM 0 H LEU A 64 -3.238 9.122 0.639 1.00 0.34 H new ATOM 0 HA LEU A 64 -1.790 6.938 -0.350 1.00 0.42 H new ATOM 0 HB2 LEU A 64 -4.288 7.758 -0.563 1.00 0.60 H new ATOM 0 HB3 LEU A 64 -3.701 8.607 -1.980 1.00 0.60 H new ATOM 0 HG LEU A 64 -2.814 5.801 -1.850 1.00 0.71 H new ATOM 0 HD11 LEU A 64 -5.042 4.860 -2.486 1.00 0.97 H new ATOM 0 HD12 LEU A 64 -5.064 5.527 -0.837 1.00 0.97 H new ATOM 0 HD13 LEU A 64 -5.788 6.446 -2.178 1.00 0.97 H new ATOM 0 HD21 LEU A 64 -3.613 5.827 -4.206 1.00 1.39 H new ATOM 0 HD22 LEU A 64 -4.332 7.432 -3.933 1.00 1.39 H new ATOM 0 HD23 LEU A 64 -2.566 7.223 -3.854 1.00 1.39 H new ATOM 1017 N GLY A 65 -0.800 9.749 -1.621 1.00 0.40 N ATOM 1018 CA GLY A 65 0.340 10.368 -2.292 1.00 0.43 C ATOM 1019 C GLY A 65 1.717 9.774 -1.948 1.00 0.40 C ATOM 1020 O GLY A 65 2.610 9.883 -2.783 1.00 0.42 O ATOM 0 H GLY A 65 -1.393 10.424 -1.139 1.00 0.40 H new ATOM 0 HA2 GLY A 65 0.190 10.292 -3.369 1.00 0.43 H new ATOM 0 HA3 GLY A 65 0.351 11.430 -2.046 1.00 0.43 H new ATOM 1024 N PHE A 66 1.929 9.147 -0.777 1.00 0.44 N ATOM 1025 CA PHE A 66 3.242 8.586 -0.401 1.00 0.51 C ATOM 1026 C PHE A 66 3.165 7.368 0.551 1.00 0.52 C ATOM 1027 O PHE A 66 3.944 7.258 1.501 1.00 0.49 O ATOM 1028 CB PHE A 66 4.183 9.711 0.090 1.00 0.59 C ATOM 1029 CG PHE A 66 3.673 10.624 1.194 1.00 0.58 C ATOM 1030 CD1 PHE A 66 2.986 11.808 0.864 1.00 2.10 C ATOM 1031 CD2 PHE A 66 3.954 10.343 2.545 1.00 2.21 C ATOM 1032 CE1 PHE A 66 2.561 12.689 1.874 1.00 2.24 C ATOM 1033 CE2 PHE A 66 3.553 11.237 3.555 1.00 2.20 C ATOM 1034 CZ PHE A 66 2.847 12.406 3.221 1.00 0.94 C ATOM 0 H PHE A 66 1.205 9.015 -0.071 1.00 0.44 H new ATOM 0 HA PHE A 66 3.682 8.160 -1.303 1.00 0.51 H new ATOM 0 HB2 PHE A 66 5.107 9.248 0.437 1.00 0.59 H new ATOM 0 HB3 PHE A 66 4.440 10.332 -0.768 1.00 0.59 H new ATOM 0 HD1 PHE A 66 2.784 12.041 -0.171 1.00 2.10 H new ATOM 0 HD2 PHE A 66 4.480 9.437 2.807 1.00 2.21 H new ATOM 0 HE1 PHE A 66 2.014 13.584 1.615 1.00 2.24 H new ATOM 0 HE2 PHE A 66 3.788 11.025 4.588 1.00 2.20 H new ATOM 0 HZ PHE A 66 2.525 13.085 3.997 1.00 0.94 H new ATOM 1044 N ILE A 67 2.284 6.394 0.264 1.00 0.68 N ATOM 1045 CA ILE A 67 2.066 5.178 1.083 1.00 0.69 C ATOM 1046 C ILE A 67 3.359 4.420 1.397 1.00 0.64 C ATOM 1047 O ILE A 67 3.533 3.888 2.498 1.00 0.62 O ATOM 1048 CB ILE A 67 0.990 4.248 0.477 1.00 0.96 C ATOM 1049 CG1 ILE A 67 1.467 3.388 -0.711 1.00 2.00 C ATOM 1050 CG2 ILE A 67 -0.253 5.026 0.070 1.00 1.36 C ATOM 1051 CD1 ILE A 67 1.974 2.037 -0.204 1.00 1.30 C ATOM 0 H ILE A 67 1.687 6.427 -0.563 1.00 0.68 H new ATOM 0 HA ILE A 67 1.684 5.535 2.039 1.00 0.69 H new ATOM 0 HB ILE A 67 0.754 3.554 1.284 1.00 0.96 H new ATOM 0 HG12 ILE A 67 0.648 3.238 -1.415 1.00 2.00 H new ATOM 0 HG13 ILE A 67 2.261 3.905 -1.250 1.00 2.00 H new ATOM 0 HG21 ILE A 67 -0.989 4.341 -0.352 1.00 1.36 H new ATOM 0 HG22 ILE A 67 -0.676 5.519 0.945 1.00 1.36 H new ATOM 0 HG23 ILE A 67 0.015 5.775 -0.675 1.00 1.36 H new ATOM 0 HD11 ILE A 67 2.309 1.434 -1.048 1.00 1.30 H new ATOM 0 HD12 ILE A 67 2.806 2.195 0.483 1.00 1.30 H new ATOM 0 HD13 ILE A 67 1.169 1.518 0.315 1.00 1.30 H new ATOM 1063 N LEU A 68 4.287 4.404 0.434 1.00 0.68 N ATOM 1064 CA LEU A 68 5.589 3.759 0.560 1.00 0.72 C ATOM 1065 C LEU A 68 6.379 4.237 1.783 1.00 0.60 C ATOM 1066 O LEU A 68 7.167 3.459 2.316 1.00 0.64 O ATOM 1067 CB LEU A 68 6.436 4.001 -0.700 1.00 0.91 C ATOM 1068 CG LEU A 68 6.220 3.072 -1.901 1.00 1.45 C ATOM 1069 CD1 LEU A 68 7.278 3.449 -2.953 1.00 2.23 C ATOM 1070 CD2 LEU A 68 6.382 1.604 -1.494 1.00 2.21 C ATOM 0 H LEU A 68 4.146 4.850 -0.472 1.00 0.68 H new ATOM 0 HA LEU A 68 5.386 2.695 0.686 1.00 0.72 H new ATOM 0 HB2 LEU A 68 6.256 5.024 -1.032 1.00 0.91 H new ATOM 0 HB3 LEU A 68 7.486 3.939 -0.414 1.00 0.91 H new ATOM 0 HG LEU A 68 5.211 3.188 -2.296 1.00 1.45 H new ATOM 0 HD11 LEU A 68 7.163 2.811 -3.830 1.00 2.23 H new ATOM 0 HD12 LEU A 68 7.147 4.492 -3.243 1.00 2.23 H new ATOM 0 HD13 LEU A 68 8.274 3.311 -2.533 1.00 2.23 H new ATOM 0 HD21 LEU A 68 6.224 0.966 -2.363 1.00 2.21 H new ATOM 0 HD22 LEU A 68 7.387 1.443 -1.104 1.00 2.21 H new ATOM 0 HD23 LEU A 68 5.650 1.357 -0.725 1.00 2.21 H new ATOM 1082 N LYS A 69 6.154 5.472 2.263 1.00 0.50 N ATOM 1083 CA LYS A 69 6.852 6.026 3.430 1.00 0.51 C ATOM 1084 C LYS A 69 6.485 5.300 4.733 1.00 0.52 C ATOM 1085 O LYS A 69 7.169 5.486 5.737 1.00 0.66 O ATOM 1086 CB LYS A 69 6.586 7.542 3.517 1.00 0.59 C ATOM 1087 CG LYS A 69 7.835 8.416 3.709 1.00 0.73 C ATOM 1088 CD LYS A 69 8.654 8.103 4.968 1.00 1.73 C ATOM 1089 CE LYS A 69 9.678 9.220 5.203 1.00 1.67 C ATOM 1090 NZ LYS A 69 10.019 9.356 6.639 1.00 2.67 N ATOM 0 H LYS A 69 5.479 6.115 1.849 1.00 0.50 H new ATOM 0 HA LYS A 69 7.922 5.865 3.297 1.00 0.51 H new ATOM 0 HB2 LYS A 69 6.078 7.858 2.606 1.00 0.59 H new ATOM 0 HB3 LYS A 69 5.902 7.728 4.345 1.00 0.59 H new ATOM 0 HG2 LYS A 69 8.478 8.302 2.837 1.00 0.73 H new ATOM 0 HG3 LYS A 69 7.528 9.461 3.743 1.00 0.73 H new ATOM 0 HD2 LYS A 69 7.994 8.013 5.831 1.00 1.73 H new ATOM 0 HD3 LYS A 69 9.163 7.146 4.855 1.00 1.73 H new ATOM 0 HE2 LYS A 69 10.583 9.011 4.632 1.00 1.67 H new ATOM 0 HE3 LYS A 69 9.279 10.164 4.833 1.00 1.67 H new ATOM 0 HZ1 LYS A 69 10.714 10.120 6.760 1.00 2.67 H new ATOM 0 HZ2 LYS A 69 9.160 9.580 7.180 1.00 2.67 H new ATOM 0 HZ3 LYS A 69 10.423 8.463 6.986 1.00 2.67 H new ATOM 1104 N GLY A 70 5.436 4.467 4.716 1.00 0.47 N ATOM 1105 CA GLY A 70 5.167 3.486 5.764 1.00 0.50 C ATOM 1106 C GLY A 70 5.939 2.184 5.580 1.00 0.60 C ATOM 1107 O GLY A 70 6.474 1.655 6.549 1.00 0.85 O ATOM 0 H GLY A 70 4.746 4.459 3.965 1.00 0.47 H new ATOM 0 HA2 GLY A 70 5.422 3.918 6.732 1.00 0.50 H new ATOM 0 HA3 GLY A 70 4.099 3.268 5.783 1.00 0.50 H new ATOM 1111 N PHE A 71 6.021 1.680 4.345 1.00 0.52 N ATOM 1112 CA PHE A 71 6.800 0.488 4.016 1.00 0.57 C ATOM 1113 C PHE A 71 8.273 0.671 4.391 1.00 0.64 C ATOM 1114 O PHE A 71 8.820 -0.188 5.083 1.00 0.81 O ATOM 1115 CB PHE A 71 6.625 0.115 2.531 1.00 0.66 C ATOM 1116 CG PHE A 71 5.319 -0.594 2.234 1.00 0.76 C ATOM 1117 CD1 PHE A 71 4.099 0.105 2.278 1.00 1.56 C ATOM 1118 CD2 PHE A 71 5.315 -1.969 1.928 1.00 1.97 C ATOM 1119 CE1 PHE A 71 2.892 -0.580 2.070 1.00 1.63 C ATOM 1120 CE2 PHE A 71 4.104 -2.661 1.766 1.00 2.05 C ATOM 1121 CZ PHE A 71 2.885 -1.969 1.859 1.00 1.09 C ATOM 0 H PHE A 71 5.545 2.092 3.542 1.00 0.52 H new ATOM 0 HA PHE A 71 6.421 -0.344 4.609 1.00 0.57 H new ATOM 0 HB2 PHE A 71 6.682 1.021 1.928 1.00 0.66 H new ATOM 0 HB3 PHE A 71 7.453 -0.524 2.225 1.00 0.66 H new ATOM 0 HD1 PHE A 71 4.091 1.167 2.472 1.00 1.56 H new ATOM 0 HD2 PHE A 71 6.251 -2.495 1.817 1.00 1.97 H new ATOM 0 HE1 PHE A 71 1.960 -0.034 2.072 1.00 1.63 H new ATOM 0 HE2 PHE A 71 4.110 -3.723 1.570 1.00 2.05 H new ATOM 0 HZ PHE A 71 1.949 -2.501 1.769 1.00 1.09 H new ATOM 1131 N SER A 72 8.919 1.756 3.935 1.00 0.56 N ATOM 1132 CA SER A 72 10.354 1.983 4.112 1.00 0.55 C ATOM 1133 C SER A 72 10.738 3.415 3.699 1.00 0.59 C ATOM 1134 O SER A 72 9.886 4.163 3.212 1.00 0.69 O ATOM 1135 CB SER A 72 11.085 0.943 3.253 1.00 0.49 C ATOM 1136 OG SER A 72 11.903 0.115 4.057 1.00 0.87 O ATOM 0 H SER A 72 8.450 2.506 3.428 1.00 0.56 H new ATOM 0 HA SER A 72 10.635 1.875 5.160 1.00 0.55 H new ATOM 0 HB2 SER A 72 10.359 0.333 2.715 1.00 0.49 H new ATOM 0 HB3 SER A 72 11.695 1.447 2.503 1.00 0.49 H new ATOM 0 HG SER A 72 12.359 -0.542 3.491 1.00 0.87 H new ATOM 1142 N PRO A 73 12.008 3.835 3.858 1.00 0.57 N ATOM 1143 CA PRO A 73 12.499 5.042 3.207 1.00 0.57 C ATOM 1144 C PRO A 73 12.622 4.844 1.682 1.00 0.50 C ATOM 1145 O PRO A 73 12.303 3.792 1.133 1.00 0.42 O ATOM 1146 CB PRO A 73 13.834 5.346 3.895 1.00 0.60 C ATOM 1147 CG PRO A 73 14.360 3.961 4.257 1.00 0.60 C ATOM 1148 CD PRO A 73 13.090 3.174 4.580 1.00 0.62 C ATOM 0 HA PRO A 73 11.816 5.886 3.310 1.00 0.57 H new ATOM 0 HB2 PRO A 73 14.518 5.876 3.232 1.00 0.60 H new ATOM 0 HB3 PRO A 73 13.699 5.970 4.779 1.00 0.60 H new ATOM 0 HG2 PRO A 73 14.912 3.512 3.431 1.00 0.60 H new ATOM 0 HG3 PRO A 73 15.037 3.999 5.110 1.00 0.60 H new ATOM 0 HD2 PRO A 73 13.187 2.134 4.269 1.00 0.62 H new ATOM 0 HD3 PRO A 73 12.897 3.170 5.653 1.00 0.62 H new ATOM 1156 N ASP A 74 13.029 5.921 1.006 1.00 0.62 N ATOM 1157 CA ASP A 74 13.220 6.076 -0.451 1.00 0.69 C ATOM 1158 C ASP A 74 11.909 6.111 -1.254 1.00 0.67 C ATOM 1159 O ASP A 74 11.931 6.194 -2.479 1.00 0.81 O ATOM 1160 CB ASP A 74 14.238 5.061 -1.008 1.00 0.82 C ATOM 1161 CG ASP A 74 15.614 5.254 -0.374 1.00 2.51 C ATOM 1162 OD1 ASP A 74 16.153 6.370 -0.551 1.00 3.02 O ATOM 1163 OD2 ASP A 74 16.105 4.300 0.269 1.00 4.04 O ATOM 0 H ASP A 74 13.254 6.785 1.500 1.00 0.62 H new ATOM 0 HA ASP A 74 13.651 7.068 -0.588 1.00 0.69 H new ATOM 0 HB2 ASP A 74 13.886 4.047 -0.818 1.00 0.82 H new ATOM 0 HB3 ASP A 74 14.314 5.174 -2.089 1.00 0.82 H new ATOM 1168 N ALA A 75 10.787 6.122 -0.527 1.00 0.70 N ATOM 1169 CA ALA A 75 9.386 6.063 -0.916 1.00 0.69 C ATOM 1170 C ALA A 75 8.934 7.009 -2.040 1.00 0.74 C ATOM 1171 O ALA A 75 8.419 6.547 -3.055 1.00 1.66 O ATOM 1172 CB ALA A 75 8.610 6.340 0.371 1.00 0.73 C ATOM 0 H ALA A 75 10.859 6.181 0.489 1.00 0.70 H new ATOM 0 HA ALA A 75 9.198 5.085 -1.358 1.00 0.69 H new ATOM 0 HB1 ALA A 75 7.540 6.313 0.164 1.00 0.73 H new ATOM 0 HB2 ALA A 75 8.855 5.581 1.114 1.00 0.73 H new ATOM 0 HB3 ALA A 75 8.881 7.324 0.755 1.00 0.73 H new ATOM 1178 N ARG A 76 9.127 8.321 -1.835 1.00 0.61 N ATOM 1179 CA ARG A 76 8.757 9.445 -2.720 1.00 0.49 C ATOM 1180 C ARG A 76 7.243 9.667 -2.847 1.00 0.46 C ATOM 1181 O ARG A 76 6.422 8.854 -2.424 1.00 0.59 O ATOM 1182 CB ARG A 76 9.422 9.333 -4.118 1.00 0.56 C ATOM 1183 CG ARG A 76 10.818 8.710 -4.032 1.00 0.64 C ATOM 1184 CD ARG A 76 11.732 8.893 -5.239 1.00 0.82 C ATOM 1185 NE ARG A 76 13.052 8.331 -4.898 1.00 1.71 N ATOM 1186 CZ ARG A 76 14.234 8.702 -5.372 1.00 2.20 C ATOM 1187 NH1 ARG A 76 14.339 9.504 -6.407 1.00 2.39 N ATOM 1188 NH2 ARG A 76 15.337 8.280 -4.801 1.00 3.08 N ATOM 0 H ARG A 76 9.580 8.653 -0.983 1.00 0.61 H new ATOM 0 HA ARG A 76 9.153 10.332 -2.225 1.00 0.49 H new ATOM 0 HB2 ARG A 76 8.794 8.729 -4.773 1.00 0.56 H new ATOM 0 HB3 ARG A 76 9.492 10.323 -4.568 1.00 0.56 H new ATOM 0 HG2 ARG A 76 11.322 9.126 -3.159 1.00 0.64 H new ATOM 0 HG3 ARG A 76 10.702 7.641 -3.854 1.00 0.64 H new ATOM 0 HD2 ARG A 76 11.317 8.389 -6.112 1.00 0.82 H new ATOM 0 HD3 ARG A 76 11.821 9.949 -5.493 1.00 0.82 H new ATOM 0 HE ARG A 76 13.057 7.569 -4.220 1.00 1.71 H new ATOM 0 HH11 ARG A 76 13.499 9.857 -6.866 1.00 2.39 H new ATOM 0 HH12 ARG A 76 15.260 9.774 -6.752 1.00 2.39 H new ATOM 0 HH21 ARG A 76 15.288 7.664 -3.989 1.00 3.08 H new ATOM 0 HH22 ARG A 76 16.244 8.568 -5.169 1.00 3.08 H new ATOM 1202 N ASP A 77 6.898 10.810 -3.435 1.00 0.43 N ATOM 1203 CA ASP A 77 5.542 11.204 -3.791 1.00 0.40 C ATOM 1204 C ASP A 77 5.143 10.581 -5.137 1.00 0.41 C ATOM 1205 O ASP A 77 5.756 10.850 -6.172 1.00 0.51 O ATOM 1206 CB ASP A 77 5.451 12.733 -3.825 1.00 0.48 C ATOM 1207 CG ASP A 77 5.749 13.321 -2.444 1.00 2.27 C ATOM 1208 OD1 ASP A 77 4.787 13.443 -1.654 1.00 3.62 O ATOM 1209 OD2 ASP A 77 6.944 13.603 -2.192 1.00 3.09 O ATOM 0 H ASP A 77 7.589 11.517 -3.687 1.00 0.43 H new ATOM 0 HA ASP A 77 4.841 10.835 -3.042 1.00 0.40 H new ATOM 0 HB2 ASP A 77 6.157 13.129 -4.555 1.00 0.48 H new ATOM 0 HB3 ASP A 77 4.455 13.036 -4.148 1.00 0.48 H new ATOM 1214 N LEU A 78 4.123 9.723 -5.103 1.00 0.39 N ATOM 1215 CA LEU A 78 3.487 9.124 -6.277 1.00 0.44 C ATOM 1216 C LEU A 78 2.746 10.170 -7.126 1.00 0.35 C ATOM 1217 O LEU A 78 2.532 11.312 -6.713 1.00 0.46 O ATOM 1218 CB LEU A 78 2.498 8.022 -5.854 1.00 0.59 C ATOM 1219 CG LEU A 78 3.006 7.039 -4.776 1.00 0.79 C ATOM 1220 CD1 LEU A 78 1.950 5.972 -4.522 1.00 1.15 C ATOM 1221 CD2 LEU A 78 4.320 6.345 -5.157 1.00 1.51 C ATOM 0 H LEU A 78 3.702 9.415 -4.226 1.00 0.39 H new ATOM 0 HA LEU A 78 4.283 8.692 -6.883 1.00 0.44 H new ATOM 0 HB2 LEU A 78 1.589 8.498 -5.485 1.00 0.59 H new ATOM 0 HB3 LEU A 78 2.221 7.449 -6.739 1.00 0.59 H new ATOM 0 HG LEU A 78 3.196 7.632 -3.882 1.00 0.79 H new ATOM 0 HD11 LEU A 78 2.309 5.279 -3.761 1.00 1.15 H new ATOM 0 HD12 LEU A 78 1.031 6.445 -4.177 1.00 1.15 H new ATOM 0 HD13 LEU A 78 1.754 5.427 -5.446 1.00 1.15 H new ATOM 0 HD21 LEU A 78 4.620 5.669 -4.356 1.00 1.51 H new ATOM 0 HD22 LEU A 78 4.178 5.778 -6.077 1.00 1.51 H new ATOM 0 HD23 LEU A 78 5.097 7.095 -5.309 1.00 1.51 H new ATOM 1233 N SER A 79 2.306 9.770 -8.324 1.00 0.41 N ATOM 1234 CA SER A 79 1.588 10.667 -9.229 1.00 0.46 C ATOM 1235 C SER A 79 0.071 10.606 -9.019 1.00 0.52 C ATOM 1236 O SER A 79 -0.503 9.529 -8.890 1.00 0.67 O ATOM 1237 CB SER A 79 1.951 10.303 -10.668 1.00 0.46 C ATOM 1238 OG SER A 79 2.403 11.455 -11.351 1.00 1.60 O ATOM 0 H SER A 79 2.437 8.826 -8.688 1.00 0.41 H new ATOM 0 HA SER A 79 1.889 11.693 -9.015 1.00 0.46 H new ATOM 0 HB2 SER A 79 2.726 9.537 -10.675 1.00 0.46 H new ATOM 0 HB3 SER A 79 1.083 9.883 -11.177 1.00 0.46 H new ATOM 0 HG SER A 79 3.254 11.259 -11.796 1.00 1.60 H new ATOM 1244 N ALA A 80 -0.606 11.759 -9.099 1.00 0.76 N ATOM 1245 CA ALA A 80 -2.059 11.876 -8.915 1.00 0.95 C ATOM 1246 C ALA A 80 -2.901 10.998 -9.864 1.00 0.75 C ATOM 1247 O ALA A 80 -4.034 10.639 -9.541 1.00 0.81 O ATOM 1248 CB ALA A 80 -2.445 13.344 -9.087 1.00 1.28 C ATOM 0 H ALA A 80 -0.153 12.651 -9.297 1.00 0.76 H new ATOM 0 HA ALA A 80 -2.283 11.509 -7.913 1.00 0.95 H new ATOM 0 HB1 ALA A 80 -3.521 13.455 -8.955 1.00 1.28 H new ATOM 0 HB2 ALA A 80 -1.924 13.947 -8.343 1.00 1.28 H new ATOM 0 HB3 ALA A 80 -2.166 13.679 -10.086 1.00 1.28 H new ATOM 1254 N LYS A 81 -2.339 10.621 -11.021 1.00 0.59 N ATOM 1255 CA LYS A 81 -2.929 9.639 -11.933 1.00 0.49 C ATOM 1256 C LYS A 81 -3.049 8.279 -11.244 1.00 0.54 C ATOM 1257 O LYS A 81 -4.114 7.665 -11.295 1.00 0.57 O ATOM 1258 CB LYS A 81 -2.096 9.442 -13.212 1.00 0.49 C ATOM 1259 CG LYS A 81 -1.624 10.663 -14.007 1.00 0.49 C ATOM 1260 CD LYS A 81 -0.493 11.457 -13.342 1.00 2.50 C ATOM 1261 CE LYS A 81 0.454 12.027 -14.398 1.00 3.45 C ATOM 1262 NZ LYS A 81 1.660 12.599 -13.766 1.00 5.50 N ATOM 0 H LYS A 81 -1.450 10.996 -11.351 1.00 0.59 H new ATOM 0 HA LYS A 81 -3.908 10.031 -12.207 1.00 0.49 H new ATOM 0 HB2 LYS A 81 -1.210 8.870 -12.938 1.00 0.49 H new ATOM 0 HB3 LYS A 81 -2.681 8.819 -13.889 1.00 0.49 H new ATOM 0 HG2 LYS A 81 -1.290 10.333 -14.991 1.00 0.49 H new ATOM 0 HG3 LYS A 81 -2.473 11.328 -14.165 1.00 0.49 H new ATOM 0 HD2 LYS A 81 -0.912 12.267 -12.745 1.00 2.50 H new ATOM 0 HD3 LYS A 81 0.060 10.811 -12.660 1.00 2.50 H new ATOM 0 HE2 LYS A 81 0.742 11.242 -15.097 1.00 3.45 H new ATOM 0 HE3 LYS A 81 -0.059 12.796 -14.976 1.00 3.45 H new ATOM 0 HZ1 LYS A 81 2.474 12.482 -14.403 1.00 5.50 H new ATOM 0 HZ2 LYS A 81 1.508 13.611 -13.581 1.00 5.50 H new ATOM 0 HZ3 LYS A 81 1.848 12.107 -12.869 1.00 5.50 H new ATOM 1276 N GLU A 82 -1.966 7.840 -10.584 1.00 0.60 N ATOM 1277 CA GLU A 82 -1.945 6.644 -9.758 1.00 0.69 C ATOM 1278 C GLU A 82 -2.980 6.827 -8.656 1.00 0.66 C ATOM 1279 O GLU A 82 -3.880 6.004 -8.563 1.00 0.68 O ATOM 1280 CB GLU A 82 -0.511 6.357 -9.273 1.00 0.84 C ATOM 1281 CG GLU A 82 -0.205 6.346 -7.772 1.00 1.65 C ATOM 1282 CD GLU A 82 -1.008 5.301 -6.998 1.00 2.78 C ATOM 1283 OE1 GLU A 82 -1.285 4.245 -7.605 1.00 3.57 O ATOM 1284 OE2 GLU A 82 -1.355 5.578 -5.829 1.00 4.03 O ATOM 0 H GLU A 82 -1.068 8.323 -10.616 1.00 0.60 H new ATOM 0 HA GLU A 82 -2.225 5.749 -10.314 1.00 0.69 H new ATOM 0 HB2 GLU A 82 -0.221 5.385 -9.671 1.00 0.84 H new ATOM 0 HB3 GLU A 82 0.143 7.098 -9.733 1.00 0.84 H new ATOM 0 HG2 GLU A 82 0.859 6.157 -7.627 1.00 1.65 H new ATOM 0 HG3 GLU A 82 -0.413 7.333 -7.359 1.00 1.65 H new ATOM 1291 N THR A 83 -2.928 7.947 -7.916 1.00 0.65 N ATOM 1292 CA THR A 83 -3.861 8.255 -6.828 1.00 0.65 C ATOM 1293 C THR A 83 -5.309 8.005 -7.248 1.00 0.69 C ATOM 1294 O THR A 83 -5.994 7.203 -6.621 1.00 0.73 O ATOM 1295 CB THR A 83 -3.675 9.697 -6.323 1.00 0.82 C ATOM 1296 OG1 THR A 83 -2.327 9.943 -6.001 1.00 1.46 O ATOM 1297 CG2 THR A 83 -4.500 10.039 -5.085 1.00 1.77 C ATOM 0 H THR A 83 -2.225 8.672 -8.062 1.00 0.65 H new ATOM 0 HA THR A 83 -3.633 7.580 -6.003 1.00 0.65 H new ATOM 0 HB THR A 83 -4.019 10.321 -7.148 1.00 0.82 H new ATOM 0 HG1 THR A 83 -2.229 10.865 -5.684 1.00 1.46 H new ATOM 0 HG21 THR A 83 -4.310 11.073 -4.795 1.00 1.77 H new ATOM 0 HG22 THR A 83 -5.560 9.913 -5.308 1.00 1.77 H new ATOM 0 HG23 THR A 83 -4.220 9.376 -4.267 1.00 1.77 H new ATOM 1305 N LYS A 84 -5.761 8.639 -8.338 1.00 0.72 N ATOM 1306 CA LYS A 84 -7.123 8.520 -8.870 1.00 0.76 C ATOM 1307 C LYS A 84 -7.502 7.075 -9.238 1.00 0.74 C ATOM 1308 O LYS A 84 -8.572 6.608 -8.848 1.00 0.84 O ATOM 1309 CB LYS A 84 -7.246 9.493 -10.053 1.00 0.78 C ATOM 1310 CG LYS A 84 -8.694 9.740 -10.499 1.00 1.64 C ATOM 1311 CD LYS A 84 -8.717 10.793 -11.620 1.00 1.62 C ATOM 1312 CE LYS A 84 -10.140 11.119 -12.088 1.00 2.28 C ATOM 1313 NZ LYS A 84 -10.834 12.042 -11.157 1.00 2.84 N ATOM 0 H LYS A 84 -5.173 9.265 -8.888 1.00 0.72 H new ATOM 0 HA LYS A 84 -7.843 8.789 -8.097 1.00 0.76 H new ATOM 0 HB2 LYS A 84 -6.792 10.445 -9.778 1.00 0.78 H new ATOM 0 HB3 LYS A 84 -6.677 9.100 -10.896 1.00 0.78 H new ATOM 0 HG2 LYS A 84 -9.140 8.810 -10.851 1.00 1.64 H new ATOM 0 HG3 LYS A 84 -9.292 10.081 -9.654 1.00 1.64 H new ATOM 0 HD2 LYS A 84 -8.236 11.705 -11.267 1.00 1.62 H new ATOM 0 HD3 LYS A 84 -8.133 10.431 -12.466 1.00 1.62 H new ATOM 0 HE2 LYS A 84 -10.101 11.567 -13.081 1.00 2.28 H new ATOM 0 HE3 LYS A 84 -10.713 10.196 -12.177 1.00 2.28 H new ATOM 0 HZ1 LYS A 84 -11.792 12.236 -11.511 1.00 2.84 H new ATOM 0 HZ2 LYS A 84 -10.895 11.605 -10.215 1.00 2.84 H new ATOM 0 HZ3 LYS A 84 -10.302 12.933 -11.091 1.00 2.84 H new ATOM 1327 N MET A 85 -6.639 6.362 -9.974 1.00 0.66 N ATOM 1328 CA MET A 85 -6.873 4.968 -10.384 1.00 0.71 C ATOM 1329 C MET A 85 -6.832 3.995 -9.196 1.00 0.82 C ATOM 1330 O MET A 85 -7.686 3.115 -9.074 1.00 0.93 O ATOM 1331 CB MET A 85 -5.814 4.551 -11.422 1.00 0.62 C ATOM 1332 CG MET A 85 -5.912 5.348 -12.728 1.00 1.80 C ATOM 1333 SD MET A 85 -4.526 5.049 -13.857 1.00 2.50 S ATOM 1334 CE MET A 85 -4.681 6.511 -14.914 1.00 3.96 C ATOM 0 H MET A 85 -5.751 6.738 -10.305 1.00 0.66 H new ATOM 0 HA MET A 85 -7.872 4.919 -10.817 1.00 0.71 H new ATOM 0 HB2 MET A 85 -4.821 4.685 -10.994 1.00 0.62 H new ATOM 0 HB3 MET A 85 -5.926 3.489 -11.641 1.00 0.62 H new ATOM 0 HG2 MET A 85 -6.844 5.092 -13.232 1.00 1.80 H new ATOM 0 HG3 MET A 85 -5.958 6.412 -12.494 1.00 1.80 H new ATOM 0 HE1 MET A 85 -3.901 6.494 -15.675 1.00 3.96 H new ATOM 0 HE2 MET A 85 -5.658 6.509 -15.396 1.00 3.96 H new ATOM 0 HE3 MET A 85 -4.577 7.411 -14.308 1.00 3.96 H new ATOM 1344 N LEU A 86 -5.838 4.142 -8.319 1.00 0.82 N ATOM 1345 CA LEU A 86 -5.599 3.269 -7.182 1.00 1.01 C ATOM 1346 C LEU A 86 -6.622 3.469 -6.081 1.00 0.88 C ATOM 1347 O LEU A 86 -7.047 2.479 -5.503 1.00 0.93 O ATOM 1348 CB LEU A 86 -4.177 3.495 -6.659 1.00 1.20 C ATOM 1349 CG LEU A 86 -3.615 2.464 -5.664 1.00 1.70 C ATOM 1350 CD1 LEU A 86 -3.979 2.699 -4.198 1.00 1.81 C ATOM 1351 CD2 LEU A 86 -3.972 1.024 -6.051 1.00 3.87 C ATOM 0 H LEU A 86 -5.158 4.899 -8.388 1.00 0.82 H new ATOM 0 HA LEU A 86 -5.703 2.237 -7.516 1.00 1.01 H new ATOM 0 HB2 LEU A 86 -3.505 3.536 -7.517 1.00 1.20 H new ATOM 0 HB3 LEU A 86 -4.145 4.475 -6.182 1.00 1.20 H new ATOM 0 HG LEU A 86 -2.538 2.613 -5.741 1.00 1.70 H new ATOM 0 HD11 LEU A 86 -3.534 1.917 -3.583 1.00 1.81 H new ATOM 0 HD12 LEU A 86 -3.601 3.671 -3.880 1.00 1.81 H new ATOM 0 HD13 LEU A 86 -5.063 2.677 -4.084 1.00 1.81 H new ATOM 0 HD21 LEU A 86 -3.552 0.335 -5.318 1.00 3.87 H new ATOM 0 HD22 LEU A 86 -5.056 0.912 -6.075 1.00 3.87 H new ATOM 0 HD23 LEU A 86 -3.562 0.800 -7.036 1.00 3.87 H new ATOM 1363 N MET A 87 -7.070 4.704 -5.832 1.00 0.78 N ATOM 1364 CA MET A 87 -8.237 4.974 -4.996 1.00 0.76 C ATOM 1365 C MET A 87 -9.408 4.097 -5.461 1.00 0.77 C ATOM 1366 O MET A 87 -9.895 3.282 -4.684 1.00 0.84 O ATOM 1367 CB MET A 87 -8.556 6.476 -5.054 1.00 0.83 C ATOM 1368 CG MET A 87 -9.629 6.947 -4.073 1.00 1.23 C ATOM 1369 SD MET A 87 -8.953 7.651 -2.546 1.00 2.74 S ATOM 1370 CE MET A 87 -10.249 8.881 -2.225 1.00 3.20 C ATOM 0 H MET A 87 -6.630 5.544 -6.207 1.00 0.78 H new ATOM 0 HA MET A 87 -8.041 4.721 -3.954 1.00 0.76 H new ATOM 0 HB2 MET A 87 -7.640 7.034 -4.862 1.00 0.83 H new ATOM 0 HB3 MET A 87 -8.876 6.725 -6.066 1.00 0.83 H new ATOM 0 HG2 MET A 87 -10.255 7.694 -4.562 1.00 1.23 H new ATOM 0 HG3 MET A 87 -10.274 6.106 -3.821 1.00 1.23 H new ATOM 0 HE1 MET A 87 -10.165 9.239 -1.199 1.00 3.20 H new ATOM 0 HE2 MET A 87 -10.133 9.719 -2.912 1.00 3.20 H new ATOM 0 HE3 MET A 87 -11.228 8.425 -2.371 1.00 3.20 H new ATOM 1380 N ALA A 88 -9.791 4.201 -6.744 1.00 0.76 N ATOM 1381 CA ALA A 88 -10.883 3.440 -7.354 1.00 0.80 C ATOM 1382 C ALA A 88 -10.711 1.909 -7.286 1.00 0.79 C ATOM 1383 O ALA A 88 -11.703 1.203 -7.120 1.00 0.88 O ATOM 1384 CB ALA A 88 -11.052 3.914 -8.805 1.00 0.86 C ATOM 0 H ALA A 88 -9.334 4.835 -7.400 1.00 0.76 H new ATOM 0 HA ALA A 88 -11.783 3.638 -6.771 1.00 0.80 H new ATOM 0 HB1 ALA A 88 -11.862 3.358 -9.277 1.00 0.86 H new ATOM 0 HB2 ALA A 88 -11.288 4.978 -8.815 1.00 0.86 H new ATOM 0 HB3 ALA A 88 -10.126 3.743 -9.354 1.00 0.86 H new ATOM 1390 N ALA A 89 -9.484 1.383 -7.406 1.00 0.74 N ATOM 1391 CA ALA A 89 -9.199 -0.042 -7.211 1.00 0.78 C ATOM 1392 C ALA A 89 -9.217 -0.439 -5.721 1.00 0.77 C ATOM 1393 O ALA A 89 -9.991 -1.299 -5.309 1.00 1.04 O ATOM 1394 CB ALA A 89 -7.854 -0.374 -7.873 1.00 0.97 C ATOM 0 H ALA A 89 -8.660 1.937 -7.642 1.00 0.74 H new ATOM 0 HA ALA A 89 -9.987 -0.628 -7.684 1.00 0.78 H new ATOM 0 HB1 ALA A 89 -7.631 -1.432 -7.734 1.00 0.97 H new ATOM 0 HB2 ALA A 89 -7.908 -0.151 -8.939 1.00 0.97 H new ATOM 0 HB3 ALA A 89 -7.066 0.225 -7.417 1.00 0.97 H new ATOM 1400 N GLY A 90 -8.334 0.180 -4.929 1.00 0.70 N ATOM 1401 CA GLY A 90 -8.087 -0.016 -3.504 1.00 0.63 C ATOM 1402 C GLY A 90 -9.362 -0.056 -2.666 1.00 0.57 C ATOM 1403 O GLY A 90 -9.604 -1.023 -1.944 1.00 0.70 O ATOM 0 H GLY A 90 -7.718 0.898 -5.310 1.00 0.70 H new ATOM 0 HA2 GLY A 90 -7.539 -0.948 -3.363 1.00 0.63 H new ATOM 0 HA3 GLY A 90 -7.447 0.788 -3.140 1.00 0.63 H new ATOM 1407 N ASP A 91 -10.173 1.000 -2.773 1.00 0.45 N ATOM 1408 CA ASP A 91 -11.500 1.133 -2.174 1.00 0.48 C ATOM 1409 C ASP A 91 -12.520 0.185 -2.851 1.00 0.60 C ATOM 1410 O ASP A 91 -13.527 0.604 -3.423 1.00 0.68 O ATOM 1411 CB ASP A 91 -11.907 2.603 -2.299 1.00 0.51 C ATOM 1412 CG ASP A 91 -13.339 2.831 -1.866 1.00 0.84 C ATOM 1413 OD1 ASP A 91 -13.720 2.416 -0.747 1.00 0.95 O ATOM 1414 OD2 ASP A 91 -14.084 3.462 -2.638 1.00 1.36 O ATOM 0 H ASP A 91 -9.906 1.827 -3.308 1.00 0.45 H new ATOM 0 HA ASP A 91 -11.481 0.842 -1.124 1.00 0.48 H new ATOM 0 HB2 ASP A 91 -11.242 3.217 -1.691 1.00 0.51 H new ATOM 0 HB3 ASP A 91 -11.784 2.927 -3.332 1.00 0.51 H new ATOM 1419 N LYS A 92 -12.283 -1.126 -2.808 1.00 0.69 N ATOM 1420 CA LYS A 92 -13.158 -2.091 -3.487 1.00 0.75 C ATOM 1421 C LYS A 92 -14.595 -2.166 -2.957 1.00 0.71 C ATOM 1422 O LYS A 92 -15.453 -2.687 -3.664 1.00 0.79 O ATOM 1423 CB LYS A 92 -12.501 -3.463 -3.561 1.00 0.85 C ATOM 1424 CG LYS A 92 -12.126 -4.077 -2.203 1.00 2.58 C ATOM 1425 CD LYS A 92 -12.835 -5.394 -1.847 1.00 3.95 C ATOM 1426 CE LYS A 92 -12.176 -6.642 -2.459 1.00 4.72 C ATOM 1427 NZ LYS A 92 -12.440 -6.783 -3.914 1.00 4.44 N ATOM 0 H LYS A 92 -11.496 -1.546 -2.313 1.00 0.69 H new ATOM 0 HA LYS A 92 -13.278 -1.701 -4.498 1.00 0.75 H new ATOM 0 HB2 LYS A 92 -13.176 -4.145 -4.077 1.00 0.85 H new ATOM 0 HB3 LYS A 92 -11.600 -3.385 -4.169 1.00 0.85 H new ATOM 0 HG2 LYS A 92 -11.050 -4.250 -2.188 1.00 2.58 H new ATOM 0 HG3 LYS A 92 -12.342 -3.347 -1.423 1.00 2.58 H new ATOM 0 HD2 LYS A 92 -12.857 -5.502 -0.763 1.00 3.95 H new ATOM 0 HD3 LYS A 92 -13.870 -5.340 -2.183 1.00 3.95 H new ATOM 0 HE2 LYS A 92 -11.100 -6.596 -2.293 1.00 4.72 H new ATOM 0 HE3 LYS A 92 -12.540 -7.529 -1.941 1.00 4.72 H new ATOM 0 HZ1 LYS A 92 -12.015 -7.667 -4.260 1.00 4.44 H new ATOM 0 HZ2 LYS A 92 -13.466 -6.805 -4.080 1.00 4.44 H new ATOM 0 HZ3 LYS A 92 -12.024 -5.976 -4.422 1.00 4.44 H new ATOM 1441 N ASP A 93 -14.879 -1.622 -1.768 1.00 0.69 N ATOM 1442 CA ASP A 93 -16.260 -1.444 -1.299 1.00 0.72 C ATOM 1443 C ASP A 93 -16.964 -0.208 -1.900 1.00 0.62 C ATOM 1444 O ASP A 93 -18.186 -0.111 -1.802 1.00 0.83 O ATOM 1445 CB ASP A 93 -16.286 -1.318 0.230 1.00 1.12 C ATOM 1446 CG ASP A 93 -15.672 -2.498 0.990 1.00 0.82 C ATOM 1447 OD1 ASP A 93 -15.765 -3.643 0.500 1.00 1.40 O ATOM 1448 OD2 ASP A 93 -15.093 -2.207 2.064 1.00 1.41 O ATOM 0 H ASP A 93 -14.170 -1.296 -1.111 1.00 0.69 H new ATOM 0 HA ASP A 93 -16.802 -2.328 -1.634 1.00 0.72 H new ATOM 0 HB2 ASP A 93 -15.756 -0.408 0.513 1.00 1.12 H new ATOM 0 HB3 ASP A 93 -17.321 -1.198 0.552 1.00 1.12 H new ATOM 1453 N GLY A 94 -16.233 0.743 -2.503 1.00 0.49 N ATOM 1454 CA GLY A 94 -16.804 1.991 -3.022 1.00 0.65 C ATOM 1455 C GLY A 94 -17.115 3.051 -1.953 1.00 0.69 C ATOM 1456 O GLY A 94 -18.010 3.867 -2.165 1.00 0.90 O ATOM 0 H GLY A 94 -15.226 0.665 -2.644 1.00 0.49 H new ATOM 0 HA2 GLY A 94 -16.110 2.418 -3.746 1.00 0.65 H new ATOM 0 HA3 GLY A 94 -17.723 1.758 -3.560 1.00 0.65 H new ATOM 1460 N ASP A 95 -16.415 3.048 -0.806 1.00 0.59 N ATOM 1461 CA ASP A 95 -16.585 4.103 0.231 1.00 0.71 C ATOM 1462 C ASP A 95 -15.822 5.405 -0.083 1.00 0.80 C ATOM 1463 O ASP A 95 -16.221 6.502 0.300 1.00 1.20 O ATOM 1464 CB ASP A 95 -16.033 3.663 1.596 1.00 0.76 C ATOM 1465 CG ASP A 95 -16.590 2.354 2.129 1.00 1.13 C ATOM 1466 OD1 ASP A 95 -17.799 2.281 2.415 1.00 2.07 O ATOM 1467 OD2 ASP A 95 -15.738 1.444 2.289 1.00 1.11 O ATOM 0 H ASP A 95 -15.727 2.334 -0.566 1.00 0.59 H new ATOM 0 HA ASP A 95 -17.662 4.270 0.244 1.00 0.71 H new ATOM 0 HB2 ASP A 95 -14.949 3.574 1.520 1.00 0.76 H new ATOM 0 HB3 ASP A 95 -16.238 4.449 2.323 1.00 0.76 H new ATOM 1472 N GLY A 96 -14.657 5.229 -0.698 1.00 0.62 N ATOM 1473 CA GLY A 96 -13.598 6.160 -1.057 1.00 0.69 C ATOM 1474 C GLY A 96 -12.294 5.969 -0.279 1.00 0.53 C ATOM 1475 O GLY A 96 -11.294 6.570 -0.647 1.00 0.70 O ATOM 0 H GLY A 96 -14.400 4.289 -0.999 1.00 0.62 H new ATOM 0 HA2 GLY A 96 -13.389 6.059 -2.122 1.00 0.69 H new ATOM 0 HA3 GLY A 96 -13.956 7.177 -0.897 1.00 0.69 H new ATOM 1479 N LYS A 97 -12.251 5.123 0.758 1.00 0.41 N ATOM 1480 CA LYS A 97 -11.023 4.812 1.511 1.00 0.33 C ATOM 1481 C LYS A 97 -10.668 3.335 1.437 1.00 0.38 C ATOM 1482 O LYS A 97 -11.548 2.472 1.542 1.00 0.48 O ATOM 1483 CB LYS A 97 -11.184 5.219 2.978 1.00 0.40 C ATOM 1484 CG LYS A 97 -10.921 6.716 3.190 1.00 0.61 C ATOM 1485 CD LYS A 97 -11.920 7.352 4.161 1.00 1.16 C ATOM 1486 CE LYS A 97 -11.252 8.580 4.772 1.00 2.47 C ATOM 1487 NZ LYS A 97 -12.019 9.179 5.881 1.00 3.21 N ATOM 0 H LYS A 97 -13.074 4.629 1.103 1.00 0.41 H new ATOM 0 HA LYS A 97 -10.213 5.380 1.053 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -12.193 4.977 3.313 1.00 0.40 H new ATOM 0 HB3 LYS A 97 -10.496 4.639 3.593 1.00 0.40 H new ATOM 0 HG2 LYS A 97 -9.909 6.854 3.572 1.00 0.61 H new ATOM 0 HG3 LYS A 97 -10.973 7.231 2.231 1.00 0.61 H new ATOM 0 HD2 LYS A 97 -12.835 7.634 3.639 1.00 1.16 H new ATOM 0 HD3 LYS A 97 -12.202 6.643 4.939 1.00 1.16 H new ATOM 0 HE2 LYS A 97 -10.262 8.302 5.134 1.00 2.47 H new ATOM 0 HE3 LYS A 97 -11.108 9.330 3.994 1.00 2.47 H new ATOM 0 HZ1 LYS A 97 -11.509 10.007 6.249 1.00 3.21 H new ATOM 0 HZ2 LYS A 97 -12.955 9.474 5.536 1.00 3.21 H new ATOM 0 HZ3 LYS A 97 -12.135 8.479 6.641 1.00 3.21 H new ATOM 1501 N ILE A 98 -9.358 3.076 1.370 1.00 0.34 N ATOM 1502 CA ILE A 98 -8.784 1.743 1.570 1.00 0.39 C ATOM 1503 C ILE A 98 -8.934 1.386 3.046 1.00 0.38 C ATOM 1504 O ILE A 98 -8.557 2.172 3.920 1.00 0.41 O ATOM 1505 CB ILE A 98 -7.303 1.673 1.130 1.00 0.40 C ATOM 1506 CG1 ILE A 98 -7.243 1.897 -0.394 1.00 0.44 C ATOM 1507 CG2 ILE A 98 -6.604 0.339 1.495 1.00 0.50 C ATOM 1508 CD1 ILE A 98 -5.832 2.034 -0.965 1.00 0.43 C ATOM 0 H ILE A 98 -8.660 3.794 1.173 1.00 0.34 H new ATOM 0 HA ILE A 98 -9.317 1.024 0.947 1.00 0.39 H new ATOM 0 HB ILE A 98 -6.762 2.449 1.672 1.00 0.40 H new ATOM 0 HG12 ILE A 98 -7.741 1.064 -0.890 1.00 0.44 H new ATOM 0 HG13 ILE A 98 -7.808 2.797 -0.638 1.00 0.44 H new ATOM 0 HG21 ILE A 98 -5.569 0.365 1.154 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -6.627 0.200 2.576 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -7.124 -0.488 1.012 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -5.889 2.189 -2.042 1.00 0.43 H new ATOM 0 HD12 ILE A 98 -5.333 2.886 -0.502 1.00 0.43 H new ATOM 0 HD13 ILE A 98 -5.266 1.126 -0.758 1.00 0.43 H new ATOM 1520 N GLY A 99 -9.447 0.182 3.287 1.00 0.40 N ATOM 1521 CA GLY A 99 -9.321 -0.567 4.532 1.00 0.40 C ATOM 1522 C GLY A 99 -8.512 -1.855 4.333 1.00 0.35 C ATOM 1523 O GLY A 99 -8.449 -2.416 3.242 1.00 0.38 O ATOM 0 H GLY A 99 -9.988 -0.321 2.584 1.00 0.40 H new ATOM 0 HA2 GLY A 99 -8.837 0.055 5.285 1.00 0.40 H new ATOM 0 HA3 GLY A 99 -10.313 -0.814 4.912 1.00 0.40 H new ATOM 1527 N VAL A 100 -7.910 -2.357 5.411 1.00 0.34 N ATOM 1528 CA VAL A 100 -7.021 -3.528 5.411 1.00 0.34 C ATOM 1529 C VAL A 100 -7.566 -4.790 4.729 1.00 0.33 C ATOM 1530 O VAL A 100 -6.856 -5.421 3.944 1.00 0.40 O ATOM 1531 CB VAL A 100 -6.576 -3.819 6.852 1.00 0.45 C ATOM 1532 CG1 VAL A 100 -7.662 -4.286 7.833 1.00 0.57 C ATOM 1533 CG2 VAL A 100 -5.414 -4.802 6.850 1.00 0.70 C ATOM 0 H VAL A 100 -8.029 -1.950 6.339 1.00 0.34 H new ATOM 0 HA VAL A 100 -6.171 -3.255 4.785 1.00 0.34 H new ATOM 0 HB VAL A 100 -6.277 -2.844 7.238 1.00 0.45 H new ATOM 0 HG11 VAL A 100 -7.218 -4.457 8.814 1.00 0.57 H new ATOM 0 HG12 VAL A 100 -8.434 -3.521 7.913 1.00 0.57 H new ATOM 0 HG13 VAL A 100 -8.106 -5.213 7.470 1.00 0.57 H new ATOM 0 HG21 VAL A 100 -5.105 -5.002 7.876 1.00 0.70 H new ATOM 0 HG22 VAL A 100 -5.726 -5.733 6.376 1.00 0.70 H new ATOM 0 HG23 VAL A 100 -4.578 -4.376 6.296 1.00 0.70 H new ATOM 1543 N ASP A 101 -8.815 -5.156 5.025 1.00 0.35 N ATOM 1544 CA ASP A 101 -9.463 -6.382 4.549 1.00 0.43 C ATOM 1545 C ASP A 101 -9.744 -6.336 3.034 1.00 0.44 C ATOM 1546 O ASP A 101 -9.560 -7.329 2.318 1.00 0.51 O ATOM 1547 CB ASP A 101 -10.740 -6.572 5.377 1.00 0.51 C ATOM 1548 CG ASP A 101 -11.342 -7.963 5.192 1.00 0.89 C ATOM 1549 OD1 ASP A 101 -10.613 -8.935 5.490 1.00 1.53 O ATOM 1550 OD2 ASP A 101 -12.519 -8.029 4.781 1.00 2.09 O ATOM 0 H ASP A 101 -9.422 -4.592 5.620 1.00 0.35 H new ATOM 0 HA ASP A 101 -8.802 -7.238 4.685 1.00 0.43 H new ATOM 0 HB2 ASP A 101 -10.515 -6.412 6.431 1.00 0.51 H new ATOM 0 HB3 ASP A 101 -11.474 -5.819 5.090 1.00 0.51 H new ATOM 1555 N GLU A 102 -10.072 -5.138 2.524 1.00 0.41 N ATOM 1556 CA GLU A 102 -10.010 -4.843 1.096 1.00 0.42 C ATOM 1557 C GLU A 102 -8.578 -5.036 0.609 1.00 0.42 C ATOM 1558 O GLU A 102 -8.338 -5.870 -0.252 1.00 0.49 O ATOM 1559 CB GLU A 102 -10.404 -3.396 0.770 1.00 0.55 C ATOM 1560 CG GLU A 102 -11.780 -2.914 1.228 1.00 0.78 C ATOM 1561 CD GLU A 102 -11.908 -1.428 0.879 1.00 1.35 C ATOM 1562 OE1 GLU A 102 -10.985 -0.672 1.238 1.00 2.42 O ATOM 1563 OE2 GLU A 102 -12.973 -0.959 0.392 1.00 1.63 O ATOM 0 H GLU A 102 -10.386 -4.353 3.094 1.00 0.41 H new ATOM 0 HA GLU A 102 -10.712 -5.517 0.606 1.00 0.42 H new ATOM 0 HB2 GLU A 102 -9.655 -2.737 1.209 1.00 0.55 H new ATOM 0 HB3 GLU A 102 -10.347 -3.268 -0.311 1.00 0.55 H new ATOM 0 HG2 GLU A 102 -12.566 -3.488 0.738 1.00 0.78 H new ATOM 0 HG3 GLU A 102 -11.897 -3.064 2.301 1.00 0.78 H new ATOM 1570 N PHE A 103 -7.627 -4.268 1.150 1.00 0.44 N ATOM 1571 CA PHE A 103 -6.270 -4.133 0.625 1.00 0.52 C ATOM 1572 C PHE A 103 -5.549 -5.480 0.480 1.00 0.49 C ATOM 1573 O PHE A 103 -4.906 -5.728 -0.538 1.00 0.54 O ATOM 1574 CB PHE A 103 -5.509 -3.158 1.534 1.00 0.71 C ATOM 1575 CG PHE A 103 -4.350 -2.420 0.900 1.00 0.46 C ATOM 1576 CD1 PHE A 103 -4.489 -1.784 -0.351 1.00 2.01 C ATOM 1577 CD2 PHE A 103 -3.151 -2.279 1.619 1.00 2.10 C ATOM 1578 CE1 PHE A 103 -3.427 -1.035 -0.885 1.00 2.44 C ATOM 1579 CE2 PHE A 103 -2.088 -1.539 1.081 1.00 2.26 C ATOM 1580 CZ PHE A 103 -2.221 -0.914 -0.173 1.00 1.70 C ATOM 0 H PHE A 103 -7.787 -3.709 1.988 1.00 0.44 H new ATOM 0 HA PHE A 103 -6.314 -3.737 -0.389 1.00 0.52 H new ATOM 0 HB2 PHE A 103 -6.217 -2.422 1.915 1.00 0.71 H new ATOM 0 HB3 PHE A 103 -5.133 -3.713 2.393 1.00 0.71 H new ATOM 0 HD1 PHE A 103 -5.415 -1.873 -0.900 1.00 2.01 H new ATOM 0 HD2 PHE A 103 -3.048 -2.742 2.589 1.00 2.10 H new ATOM 0 HE1 PHE A 103 -3.537 -0.551 -1.844 1.00 2.44 H new ATOM 0 HE2 PHE A 103 -1.163 -1.448 1.631 1.00 2.26 H new ATOM 0 HZ PHE A 103 -1.401 -0.345 -0.586 1.00 1.70 H new ATOM 1590 N SER A 104 -5.739 -6.372 1.458 1.00 0.47 N ATOM 1591 CA SER A 104 -5.283 -7.765 1.458 1.00 0.48 C ATOM 1592 C SER A 104 -5.756 -8.584 0.251 1.00 0.47 C ATOM 1593 O SER A 104 -5.008 -9.396 -0.292 1.00 0.72 O ATOM 1594 CB SER A 104 -5.826 -8.423 2.725 1.00 0.53 C ATOM 1595 OG SER A 104 -5.251 -9.701 2.895 1.00 0.95 O ATOM 0 H SER A 104 -6.240 -6.129 2.313 1.00 0.47 H new ATOM 0 HA SER A 104 -4.194 -7.749 1.411 1.00 0.48 H new ATOM 0 HB2 SER A 104 -5.605 -7.799 3.591 1.00 0.53 H new ATOM 0 HB3 SER A 104 -6.911 -8.510 2.662 1.00 0.53 H new ATOM 0 HG SER A 104 -5.605 -10.113 3.711 1.00 0.95 H new ATOM 1601 N THR A 105 -7.009 -8.383 -0.168 1.00 0.38 N ATOM 1602 CA THR A 105 -7.731 -9.249 -1.106 1.00 0.41 C ATOM 1603 C THR A 105 -7.903 -8.614 -2.485 1.00 0.43 C ATOM 1604 O THR A 105 -7.868 -9.308 -3.497 1.00 0.46 O ATOM 1605 CB THR A 105 -9.092 -9.636 -0.509 1.00 0.45 C ATOM 1606 OG1 THR A 105 -9.864 -8.503 -0.151 1.00 0.45 O ATOM 1607 CG2 THR A 105 -8.904 -10.534 0.714 1.00 0.44 C ATOM 0 H THR A 105 -7.566 -7.589 0.146 1.00 0.38 H new ATOM 0 HA THR A 105 -7.129 -10.145 -1.255 1.00 0.41 H new ATOM 0 HB THR A 105 -9.634 -10.178 -1.284 1.00 0.45 H new ATOM 0 HG1 THR A 105 -9.628 -8.220 0.757 1.00 0.45 H new ATOM 0 HG21 THR A 105 -9.879 -10.799 1.124 1.00 0.44 H new ATOM 0 HG22 THR A 105 -8.375 -11.441 0.422 1.00 0.44 H new ATOM 0 HG23 THR A 105 -8.324 -10.003 1.469 1.00 0.44 H new ATOM 1615 N LEU A 106 -7.954 -7.284 -2.543 1.00 0.47 N ATOM 1616 CA LEU A 106 -7.858 -6.420 -3.717 1.00 0.55 C ATOM 1617 C LEU A 106 -6.657 -6.796 -4.603 1.00 0.56 C ATOM 1618 O LEU A 106 -6.759 -6.863 -5.824 1.00 0.62 O ATOM 1619 CB LEU A 106 -7.808 -4.981 -3.164 1.00 0.80 C ATOM 1620 CG LEU A 106 -7.625 -3.800 -4.129 1.00 0.76 C ATOM 1621 CD1 LEU A 106 -6.146 -3.507 -4.393 1.00 1.67 C ATOM 1622 CD2 LEU A 106 -8.399 -3.954 -5.437 1.00 2.21 C ATOM 0 H LEU A 106 -8.074 -6.735 -1.692 1.00 0.47 H new ATOM 0 HA LEU A 106 -8.711 -6.531 -4.387 1.00 0.55 H new ATOM 0 HB2 LEU A 106 -8.734 -4.811 -2.614 1.00 0.80 H new ATOM 0 HB3 LEU A 106 -6.994 -4.939 -2.440 1.00 0.80 H new ATOM 0 HG LEU A 106 -8.057 -2.938 -3.620 1.00 0.76 H new ATOM 0 HD11 LEU A 106 -6.059 -2.665 -5.080 1.00 1.67 H new ATOM 0 HD12 LEU A 106 -5.650 -3.262 -3.454 1.00 1.67 H new ATOM 0 HD13 LEU A 106 -5.674 -4.385 -4.834 1.00 1.67 H new ATOM 0 HD21 LEU A 106 -8.223 -3.084 -6.069 1.00 2.21 H new ATOM 0 HD22 LEU A 106 -8.063 -4.852 -5.955 1.00 2.21 H new ATOM 0 HD23 LEU A 106 -9.464 -4.036 -5.222 1.00 2.21 H new ATOM 1634 N VAL A 107 -5.513 -7.108 -3.998 1.00 0.61 N ATOM 1635 CA VAL A 107 -4.305 -7.531 -4.721 1.00 0.67 C ATOM 1636 C VAL A 107 -4.273 -9.016 -5.134 1.00 0.69 C ATOM 1637 O VAL A 107 -3.385 -9.460 -5.867 1.00 0.77 O ATOM 1638 CB VAL A 107 -3.089 -7.214 -3.865 1.00 0.66 C ATOM 1639 CG1 VAL A 107 -2.960 -5.701 -3.623 1.00 0.72 C ATOM 1640 CG2 VAL A 107 -3.117 -8.008 -2.553 1.00 0.65 C ATOM 0 H VAL A 107 -5.392 -7.076 -2.986 1.00 0.61 H new ATOM 0 HA VAL A 107 -4.303 -6.975 -5.658 1.00 0.67 H new ATOM 0 HB VAL A 107 -2.199 -7.527 -4.411 1.00 0.66 H new ATOM 0 HG11 VAL A 107 -2.082 -5.504 -3.008 1.00 0.72 H new ATOM 0 HG12 VAL A 107 -2.856 -5.187 -4.579 1.00 0.72 H new ATOM 0 HG13 VAL A 107 -3.851 -5.337 -3.110 1.00 0.72 H new ATOM 0 HG21 VAL A 107 -2.236 -7.762 -1.960 1.00 0.65 H new ATOM 0 HG22 VAL A 107 -4.015 -7.751 -1.992 1.00 0.65 H new ATOM 0 HG23 VAL A 107 -3.120 -9.075 -2.774 1.00 0.65 H new ATOM 1650 N ALA A 108 -5.241 -9.794 -4.659 1.00 0.64 N ATOM 1651 CA ALA A 108 -5.553 -11.141 -5.131 1.00 0.75 C ATOM 1652 C ALA A 108 -6.563 -11.089 -6.283 1.00 0.90 C ATOM 1653 O ALA A 108 -6.327 -11.697 -7.325 1.00 1.20 O ATOM 1654 CB ALA A 108 -6.032 -11.977 -3.946 1.00 0.65 C ATOM 0 H ALA A 108 -5.856 -9.491 -3.903 1.00 0.64 H new ATOM 0 HA ALA A 108 -4.663 -11.620 -5.539 1.00 0.75 H new ATOM 0 HB1 ALA A 108 -6.269 -12.986 -4.284 1.00 0.65 H new ATOM 0 HB2 ALA A 108 -5.247 -12.022 -3.191 1.00 0.65 H new ATOM 0 HB3 ALA A 108 -6.923 -11.520 -3.515 1.00 0.65 H new