USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 903 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 81 LYS NZ :NH3+ 154:sc= -2.93 (180deg=-0.208) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -150:sc= -3.13 (180deg=-0.635) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -174:sc= 1.41 (180deg=-0.203) USER MOD Set 2.2: A 49 TYR OH : rot 15:sc= 0.242 USER MOD Single : A 1 MET CE :methyl -113:sc= 0 (180deg=-0.169) USER MOD Single : A 1 MET N :NH3+ -130:sc= -0.0218 (180deg=-0.475) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.0276 (180deg=-0.365) USER MOD Single : A 28 SER OG : rot 171:sc= -1.56 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -1.57 (180deg=-3.32!) USER MOD Single : A 43 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1.2) USER MOD Single : A 44 SER OG : rot 89:sc= 0.928 USER MOD Single : A 46 SER OG : rot 94:sc= -0.905 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.12) USER MOD Single : A 63 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 67 SER OG : rot -29:sc= 0.263 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 76 THR OG1 : rot 115:sc= 0.195! USER MOD Single : A 78 GLN : amide:sc= -1.9! C(o=-1.9!,f=-1.4!) USER MOD Single : A 84 GLN : amide:sc= -0.561 K(o=-0.56,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.825! C(o=-0.83!,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 81:sc= 0.05 USER MOD Single : A 102 ASN : amide:sc= -0.879 K(o=-0.88,f=-3.3!) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ 150:sc= -0.158 (180deg=-0.744) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.819 -1.966 8.136 1.00 1.04 N ATOM 2 CA MET A 1 -7.868 -1.798 9.271 1.00 0.78 C ATOM 3 C MET A 1 -6.470 -1.529 8.714 1.00 0.57 C ATOM 4 O MET A 1 -6.170 -1.863 7.587 1.00 0.63 O ATOM 5 CB MET A 1 -7.844 -3.077 10.114 1.00 0.79 C ATOM 6 CG MET A 1 -9.220 -3.310 10.748 1.00 1.45 C ATOM 7 SD MET A 1 -9.601 -1.973 11.913 1.00 2.32 S ATOM 8 CE MET A 1 -8.601 -2.560 13.306 1.00 2.88 C ATOM 0 H1 MET A 1 -9.651 -1.360 8.287 1.00 1.04 H new ATOM 0 H2 MET A 1 -8.351 -1.696 7.248 1.00 1.04 H new ATOM 0 H3 MET A 1 -9.121 -2.960 8.080 1.00 1.04 H new ATOM 0 HA MET A 1 -8.184 -0.962 9.895 1.00 0.78 H new ATOM 0 HB2 MET A 1 -7.572 -3.929 9.491 1.00 0.79 H new ATOM 0 HB3 MET A 1 -7.085 -2.996 10.892 1.00 0.79 H new ATOM 0 HG2 MET A 1 -9.984 -3.356 9.972 1.00 1.45 H new ATOM 0 HG3 MET A 1 -9.233 -4.269 11.266 1.00 1.45 H new ATOM 0 HE1 MET A 1 -9.256 -2.853 14.126 1.00 2.88 H new ATOM 0 HE2 MET A 1 -8.007 -3.418 12.991 1.00 2.88 H new ATOM 0 HE3 MET A 1 -7.938 -1.762 13.639 1.00 2.88 H new ATOM 20 N VAL A 2 -5.611 -0.929 9.496 1.00 0.41 N ATOM 21 CA VAL A 2 -4.226 -0.626 9.013 1.00 0.28 C ATOM 22 C VAL A 2 -3.261 -1.699 9.528 1.00 0.23 C ATOM 23 O VAL A 2 -3.281 -2.047 10.692 1.00 0.24 O ATOM 24 CB VAL A 2 -3.793 0.734 9.560 1.00 0.33 C ATOM 25 CG1 VAL A 2 -2.324 0.983 9.206 1.00 0.45 C ATOM 26 CG2 VAL A 2 -4.658 1.827 8.930 1.00 0.40 C ATOM 0 H VAL A 2 -5.808 -0.634 10.452 1.00 0.41 H new ATOM 0 HA VAL A 2 -4.214 -0.612 7.923 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.913 0.748 10.643 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -2.015 1.953 9.596 1.00 0.45 H new ATOM 0 HG12 VAL A 2 -1.706 0.201 9.647 1.00 0.45 H new ATOM 0 HG13 VAL A 2 -2.204 0.973 8.123 1.00 0.45 H new ATOM 0 HG21 VAL A 2 -4.354 2.800 9.316 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -4.533 1.811 7.847 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -5.705 1.650 9.177 1.00 0.40 H new ATOM 36 N LYS A 3 -2.418 -2.227 8.670 1.00 0.20 N ATOM 37 CA LYS A 3 -1.446 -3.278 9.101 1.00 0.18 C ATOM 38 C LYS A 3 -0.059 -2.905 8.576 1.00 0.15 C ATOM 39 O LYS A 3 0.110 -2.609 7.409 1.00 0.16 O ATOM 40 CB LYS A 3 -1.875 -4.628 8.507 1.00 0.19 C ATOM 41 CG LYS A 3 -0.973 -5.764 9.022 1.00 0.20 C ATOM 42 CD LYS A 3 -1.462 -6.247 10.389 1.00 0.81 C ATOM 43 CE LYS A 3 -0.604 -7.424 10.845 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.052 -7.865 12.195 1.00 1.67 N ATOM 0 H LYS A 3 -2.363 -1.972 7.684 1.00 0.20 H new ATOM 0 HA LYS A 3 -1.422 -3.351 10.188 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.912 -4.833 8.771 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.826 -4.584 7.419 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.977 -6.592 8.313 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.057 -5.415 9.098 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.404 -5.437 11.116 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.508 -6.547 10.329 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.687 -8.247 10.135 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.446 -7.134 10.874 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.469 -8.667 12.509 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -0.951 -7.079 12.868 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.049 -8.157 12.152 1.00 1.67 H new ATOM 58 N GLN A 4 0.940 -2.930 9.425 1.00 0.15 N ATOM 59 CA GLN A 4 2.324 -2.587 8.973 1.00 0.14 C ATOM 60 C GLN A 4 3.099 -3.883 8.723 1.00 0.12 C ATOM 61 O GLN A 4 3.241 -4.714 9.598 1.00 0.13 O ATOM 62 CB GLN A 4 3.020 -1.764 10.067 1.00 0.16 C ATOM 63 CG GLN A 4 4.443 -1.399 9.626 1.00 0.17 C ATOM 64 CD GLN A 4 5.128 -0.596 10.736 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.786 -0.722 11.894 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.088 0.232 10.427 1.00 0.31 N ATOM 0 H GLN A 4 0.856 -3.173 10.412 1.00 0.15 H new ATOM 0 HA GLN A 4 2.287 -2.003 8.053 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.450 -0.857 10.269 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.053 -2.334 10.996 1.00 0.16 H new ATOM 0 HG2 GLN A 4 5.013 -2.303 9.411 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.412 -0.816 8.706 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.376 0.339 9.454 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.550 0.773 11.158 1.00 0.31 H new ATOM 75 N ILE A 5 3.606 -4.056 7.533 1.00 0.10 N ATOM 76 CA ILE A 5 4.378 -5.292 7.211 1.00 0.10 C ATOM 77 C ILE A 5 5.866 -4.965 7.248 1.00 0.10 C ATOM 78 O ILE A 5 6.358 -4.185 6.456 1.00 0.11 O ATOM 79 CB ILE A 5 4.001 -5.743 5.809 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.475 -5.795 5.679 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.589 -7.122 5.539 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.871 -6.699 6.763 1.00 0.19 C ATOM 0 H ILE A 5 3.519 -3.391 6.765 1.00 0.10 H new ATOM 0 HA ILE A 5 4.155 -6.079 7.931 1.00 0.10 H new ATOM 0 HB ILE A 5 4.399 -5.035 5.082 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.063 -4.790 5.765 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.201 -6.168 4.692 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.317 -7.443 4.533 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.675 -7.078 5.625 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.196 -7.834 6.265 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.787 -6.723 6.654 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.269 -7.708 6.658 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.128 -6.308 7.748 1.00 0.19 H new ATOM 94 N GLU A 6 6.588 -5.550 8.162 1.00 0.11 N ATOM 95 CA GLU A 6 8.042 -5.267 8.257 1.00 0.13 C ATOM 96 C GLU A 6 8.820 -6.363 7.536 1.00 0.12 C ATOM 97 O GLU A 6 10.032 -6.332 7.472 1.00 0.13 O ATOM 98 CB GLU A 6 8.442 -5.254 9.731 1.00 0.15 C ATOM 99 CG GLU A 6 7.637 -4.173 10.473 1.00 0.17 C ATOM 100 CD GLU A 6 6.276 -4.733 10.901 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.973 -5.855 10.534 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.558 -4.026 11.590 1.00 2.25 O ATOM 0 H GLU A 6 6.230 -6.214 8.849 1.00 0.11 H new ATOM 0 HA GLU A 6 8.264 -4.303 7.799 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.257 -6.231 10.177 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.510 -5.057 9.827 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.191 -3.832 11.348 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.496 -3.306 9.828 1.00 0.17 H new ATOM 109 N SER A 7 8.140 -7.338 6.987 1.00 0.12 N ATOM 110 CA SER A 7 8.873 -8.427 6.277 1.00 0.13 C ATOM 111 C SER A 7 7.997 -9.076 5.207 1.00 0.12 C ATOM 112 O SER A 7 6.786 -9.111 5.302 1.00 0.12 O ATOM 113 CB SER A 7 9.284 -9.494 7.288 1.00 0.15 C ATOM 114 OG SER A 7 8.120 -10.020 7.914 1.00 0.15 O ATOM 0 H SER A 7 7.124 -7.426 6.999 1.00 0.12 H new ATOM 0 HA SER A 7 9.749 -7.993 5.795 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.835 -10.291 6.789 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.951 -9.065 8.036 1.00 0.15 H new ATOM 0 HG SER A 7 8.380 -10.707 8.563 1.00 0.15 H new ATOM 120 N LYS A 8 8.625 -9.615 4.199 1.00 0.14 N ATOM 121 CA LYS A 8 7.876 -10.296 3.112 1.00 0.15 C ATOM 122 C LYS A 8 7.143 -11.490 3.707 1.00 0.15 C ATOM 123 O LYS A 8 6.071 -11.861 3.272 1.00 0.16 O ATOM 124 CB LYS A 8 8.858 -10.772 2.046 1.00 0.18 C ATOM 125 CG LYS A 8 8.085 -11.237 0.814 1.00 0.21 C ATOM 126 CD LYS A 8 9.056 -11.760 -0.252 1.00 0.43 C ATOM 127 CE LYS A 8 9.846 -12.967 0.273 1.00 0.80 C ATOM 128 NZ LYS A 8 10.239 -13.833 -0.876 1.00 1.65 N ATOM 0 H LYS A 8 9.638 -9.611 4.083 1.00 0.14 H new ATOM 0 HA LYS A 8 7.161 -9.611 2.657 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.540 -9.965 1.778 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.467 -11.588 2.436 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.381 -12.021 1.092 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.499 -10.411 0.410 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.502 -12.044 -1.147 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.745 -10.967 -0.542 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.733 -12.631 0.810 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.240 -13.533 0.980 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.775 -14.653 -0.526 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.385 -14.163 -1.370 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.831 -13.288 -1.535 1.00 1.65 H new ATOM 142 N THR A 9 7.715 -12.098 4.708 1.00 0.15 N ATOM 143 CA THR A 9 7.047 -13.270 5.325 1.00 0.17 C ATOM 144 C THR A 9 5.680 -12.821 5.831 1.00 0.16 C ATOM 145 O THR A 9 4.674 -13.458 5.591 1.00 0.17 O ATOM 146 CB THR A 9 7.894 -13.786 6.493 1.00 0.19 C ATOM 147 OG1 THR A 9 9.204 -14.076 6.025 1.00 0.22 O ATOM 148 CG2 THR A 9 7.266 -15.058 7.066 1.00 0.23 C ATOM 0 H THR A 9 8.610 -11.835 5.121 1.00 0.15 H new ATOM 0 HA THR A 9 6.932 -14.073 4.597 1.00 0.17 H new ATOM 0 HB THR A 9 7.939 -13.026 7.273 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.752 -14.405 6.768 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.872 -15.421 7.896 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.259 -14.839 7.421 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.219 -15.822 6.290 1.00 0.23 H new ATOM 156 N ALA A 10 5.636 -11.710 6.506 1.00 0.15 N ATOM 157 CA ALA A 10 4.335 -11.192 7.001 1.00 0.15 C ATOM 158 C ALA A 10 3.501 -10.738 5.801 1.00 0.14 C ATOM 159 O ALA A 10 2.289 -10.805 5.813 1.00 0.15 O ATOM 160 CB ALA A 10 4.581 -10.019 7.960 1.00 0.17 C ATOM 0 H ALA A 10 6.448 -11.137 6.737 1.00 0.15 H new ATOM 0 HA ALA A 10 3.797 -11.972 7.540 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.626 -9.639 8.323 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.181 -10.359 8.804 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.111 -9.225 7.435 1.00 0.17 H new ATOM 166 N PHE A 11 4.141 -10.284 4.758 1.00 0.14 N ATOM 167 CA PHE A 11 3.374 -9.835 3.562 1.00 0.13 C ATOM 168 C PHE A 11 2.556 -11.002 3.033 1.00 0.14 C ATOM 169 O PHE A 11 1.400 -10.864 2.686 1.00 0.14 O ATOM 170 CB PHE A 11 4.353 -9.389 2.471 1.00 0.14 C ATOM 171 CG PHE A 11 3.595 -8.734 1.340 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.960 -7.505 1.546 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.528 -9.357 0.085 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.257 -6.900 0.498 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.828 -8.751 -0.960 1.00 0.14 C ATOM 176 CZ PHE A 11 2.191 -7.523 -0.753 1.00 0.14 C ATOM 0 H PHE A 11 5.155 -10.205 4.682 1.00 0.14 H new ATOM 0 HA PHE A 11 2.719 -9.008 3.836 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.081 -8.691 2.886 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.911 -10.247 2.098 1.00 0.14 H new ATOM 0 HD1 PHE A 11 3.012 -7.024 2.512 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.018 -10.306 -0.073 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.765 -5.951 0.655 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.778 -9.230 -1.927 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.647 -7.055 -1.560 1.00 0.14 H new ATOM 186 N GLN A 12 3.153 -12.151 2.967 1.00 0.14 N ATOM 187 CA GLN A 12 2.417 -13.337 2.458 1.00 0.16 C ATOM 188 C GLN A 12 1.282 -13.668 3.429 1.00 0.15 C ATOM 189 O GLN A 12 0.179 -13.990 3.033 1.00 0.16 O ATOM 190 CB GLN A 12 3.385 -14.521 2.402 1.00 0.18 C ATOM 191 CG GLN A 12 4.494 -14.226 1.392 1.00 0.17 C ATOM 192 CD GLN A 12 3.904 -14.150 -0.019 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.826 -13.088 -0.603 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.489 -15.246 -0.598 1.00 1.31 N ATOM 0 H GLN A 12 4.120 -12.323 3.243 1.00 0.14 H new ATOM 0 HA GLN A 12 2.010 -13.135 1.467 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.815 -14.700 3.388 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.851 -15.428 2.117 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.985 -13.286 1.642 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.255 -15.005 1.436 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.554 -16.138 -0.108 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.100 -15.209 -1.540 1.00 1.31 H new ATOM 203 N GLU A 13 1.555 -13.583 4.703 1.00 0.16 N ATOM 204 CA GLU A 13 0.515 -13.884 5.728 1.00 0.17 C ATOM 205 C GLU A 13 -0.595 -12.836 5.678 1.00 0.15 C ATOM 206 O GLU A 13 -1.754 -13.132 5.898 1.00 0.16 O ATOM 207 CB GLU A 13 1.167 -13.885 7.117 1.00 0.19 C ATOM 208 CG GLU A 13 2.188 -15.025 7.214 1.00 0.28 C ATOM 209 CD GLU A 13 1.473 -16.372 7.081 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.293 -16.427 7.385 1.00 1.67 O ATOM 211 OE2 GLU A 13 2.117 -17.325 6.675 1.00 1.77 O ATOM 0 H GLU A 13 2.464 -13.315 5.081 1.00 0.16 H new ATOM 0 HA GLU A 13 0.079 -14.862 5.524 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.658 -12.929 7.298 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.404 -14.002 7.886 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.938 -14.922 6.430 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.714 -14.974 8.167 1.00 0.28 H new ATOM 218 N ALA A 14 -0.251 -11.612 5.402 1.00 0.15 N ATOM 219 CA ALA A 14 -1.286 -10.547 5.346 1.00 0.14 C ATOM 220 C ALA A 14 -2.196 -10.793 4.146 1.00 0.13 C ATOM 221 O ALA A 14 -3.400 -10.636 4.221 1.00 0.13 O ATOM 222 CB ALA A 14 -0.602 -9.186 5.208 1.00 0.15 C ATOM 0 H ALA A 14 0.702 -11.303 5.213 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.882 -10.560 6.259 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.358 -8.402 5.167 1.00 0.15 H new ATOM 0 HB2 ALA A 14 0.049 -9.017 6.066 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.009 -9.168 4.293 1.00 0.15 H new ATOM 228 N LEU A 15 -1.631 -11.183 3.038 1.00 0.12 N ATOM 229 CA LEU A 15 -2.462 -11.445 1.838 1.00 0.12 C ATOM 230 C LEU A 15 -3.439 -12.576 2.153 1.00 0.13 C ATOM 231 O LEU A 15 -4.592 -12.544 1.770 1.00 0.13 O ATOM 232 CB LEU A 15 -1.552 -11.869 0.681 1.00 0.13 C ATOM 233 CG LEU A 15 -0.711 -10.675 0.204 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.428 -11.180 -0.693 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.580 -9.677 -0.582 1.00 0.17 C ATOM 0 H LEU A 15 -0.629 -11.331 2.915 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.012 -10.546 1.560 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.897 -12.680 1.001 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.154 -12.252 -0.143 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.300 -10.166 1.076 1.00 0.13 H new ATOM 0 HD11 LEU A 15 1.026 -10.334 -1.033 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.059 -11.867 -0.128 1.00 0.17 H new ATOM 0 HD13 LEU A 15 0.009 -11.698 -1.556 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -0.965 -8.839 -0.911 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.010 -10.175 -1.451 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.382 -9.309 0.059 1.00 0.17 H new ATOM 247 N ASP A 16 -2.982 -13.579 2.855 1.00 0.13 N ATOM 248 CA ASP A 16 -3.878 -14.716 3.199 1.00 0.15 C ATOM 249 C ASP A 16 -4.930 -14.270 4.222 1.00 0.15 C ATOM 250 O ASP A 16 -6.063 -14.709 4.196 1.00 0.16 O ATOM 251 CB ASP A 16 -3.057 -15.870 3.784 1.00 0.17 C ATOM 252 CG ASP A 16 -3.904 -17.145 3.780 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.117 -17.024 3.816 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.326 -18.219 3.738 1.00 1.07 O ATOM 0 H ASP A 16 -2.027 -13.658 3.204 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.380 -15.051 2.291 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.150 -16.020 3.198 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.744 -15.631 4.800 1.00 0.17 H new ATOM 259 N ALA A 17 -4.551 -13.420 5.139 1.00 0.15 N ATOM 260 CA ALA A 17 -5.509 -12.957 6.188 1.00 0.16 C ATOM 261 C ALA A 17 -6.630 -12.134 5.557 1.00 0.15 C ATOM 262 O ALA A 17 -7.777 -12.231 5.946 1.00 0.17 O ATOM 263 CB ALA A 17 -4.764 -12.079 7.193 1.00 0.18 C ATOM 0 H ALA A 17 -3.614 -13.024 5.208 1.00 0.15 H new ATOM 0 HA ALA A 17 -5.937 -13.828 6.684 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.457 -11.737 7.962 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -3.963 -12.656 7.657 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.339 -11.217 6.678 1.00 0.18 H new ATOM 269 N ALA A 18 -6.308 -11.322 4.593 1.00 0.14 N ATOM 270 CA ALA A 18 -7.353 -10.483 3.944 1.00 0.15 C ATOM 271 C ALA A 18 -8.419 -11.378 3.313 1.00 0.14 C ATOM 272 O ALA A 18 -9.582 -11.030 3.253 1.00 0.17 O ATOM 273 CB ALA A 18 -6.709 -9.630 2.857 1.00 0.15 C ATOM 0 H ALA A 18 -5.365 -11.202 4.225 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.817 -9.842 4.694 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.471 -9.014 2.379 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.949 -8.988 3.301 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.246 -10.278 2.112 1.00 0.15 H new ATOM 279 N GLY A 19 -8.031 -12.526 2.839 1.00 0.16 N ATOM 280 CA GLY A 19 -9.014 -13.449 2.204 1.00 0.20 C ATOM 281 C GLY A 19 -9.525 -12.857 0.886 1.00 0.16 C ATOM 282 O GLY A 19 -8.754 -12.515 0.012 1.00 0.17 O ATOM 0 H GLY A 19 -7.071 -12.868 2.863 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.548 -14.417 2.019 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.850 -13.622 2.881 1.00 0.20 H new ATOM 286 N ASP A 20 -10.818 -12.756 0.718 1.00 0.15 N ATOM 287 CA ASP A 20 -11.372 -12.219 -0.567 1.00 0.14 C ATOM 288 C ASP A 20 -11.582 -10.703 -0.483 1.00 0.12 C ATOM 289 O ASP A 20 -12.109 -10.093 -1.392 1.00 0.13 O ATOM 290 CB ASP A 20 -12.703 -12.911 -0.862 1.00 0.15 C ATOM 291 CG ASP A 20 -12.459 -14.414 -1.000 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.538 -14.782 -1.711 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.190 -15.173 -0.386 1.00 1.07 O ATOM 0 H ASP A 20 -11.516 -13.021 1.413 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.661 -12.418 -1.369 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.415 -12.717 -0.060 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.139 -12.514 -1.779 1.00 0.15 H new ATOM 298 N LYS A 21 -11.174 -10.091 0.590 1.00 0.12 N ATOM 299 CA LYS A 21 -11.349 -8.615 0.719 1.00 0.12 C ATOM 300 C LYS A 21 -10.279 -7.899 -0.113 1.00 0.10 C ATOM 301 O LYS A 21 -9.199 -8.414 -0.323 1.00 0.11 O ATOM 302 CB LYS A 21 -11.198 -8.218 2.189 1.00 0.15 C ATOM 303 CG LYS A 21 -12.395 -8.733 2.988 1.00 0.21 C ATOM 304 CD LYS A 21 -12.385 -8.098 4.378 1.00 0.31 C ATOM 305 CE LYS A 21 -13.583 -8.603 5.181 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.431 -10.062 5.453 1.00 1.50 N ATOM 0 H LYS A 21 -10.726 -10.546 1.385 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.338 -8.331 0.360 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.274 -8.630 2.594 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.129 -7.134 2.278 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.323 -8.490 2.471 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.351 -9.819 3.071 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.458 -8.345 4.895 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.423 -7.012 4.293 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.660 -8.055 6.120 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.505 -8.421 4.629 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.061 -10.337 6.234 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.681 -10.602 4.600 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.445 -10.265 5.715 1.00 1.50 H new ATOM 320 N LEU A 22 -10.568 -6.712 -0.587 1.00 0.11 N ATOM 321 CA LEU A 22 -9.568 -5.969 -1.396 1.00 0.12 C ATOM 322 C LEU A 22 -8.334 -5.736 -0.506 1.00 0.12 C ATOM 323 O LEU A 22 -8.433 -5.747 0.704 1.00 0.14 O ATOM 324 CB LEU A 22 -10.200 -4.623 -1.823 1.00 0.15 C ATOM 325 CG LEU A 22 -9.842 -4.246 -3.273 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.409 -2.837 -3.604 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.315 -4.245 -3.462 1.00 0.47 C ATOM 0 H LEU A 22 -11.456 -6.230 -0.445 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.273 -6.519 -2.290 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.284 -4.684 -1.722 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.861 -3.835 -1.150 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.281 -4.982 -3.946 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.154 -2.574 -4.631 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.493 -2.845 -3.490 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.978 -2.102 -2.923 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.076 -3.977 -4.491 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.865 -3.520 -2.784 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.921 -5.238 -3.245 1.00 0.47 H new ATOM 339 N VAL A 23 -7.180 -5.528 -1.082 1.00 0.11 N ATOM 340 CA VAL A 23 -5.960 -5.299 -0.258 1.00 0.11 C ATOM 341 C VAL A 23 -5.079 -4.277 -0.958 1.00 0.11 C ATOM 342 O VAL A 23 -4.603 -4.507 -2.053 1.00 0.17 O ATOM 343 CB VAL A 23 -5.176 -6.611 -0.117 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.852 -6.343 0.609 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.001 -7.620 0.683 1.00 0.12 C ATOM 0 H VAL A 23 -7.030 -5.507 -2.091 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.251 -4.939 0.729 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.971 -7.016 -1.108 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.296 -7.275 0.708 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.261 -5.628 0.036 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.056 -5.935 1.599 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.442 -8.550 0.781 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.210 -7.216 1.673 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.940 -7.814 0.165 1.00 0.12 H new ATOM 355 N VAL A 24 -4.845 -3.153 -0.333 1.00 0.09 N ATOM 356 CA VAL A 24 -3.976 -2.113 -0.955 1.00 0.09 C ATOM 357 C VAL A 24 -2.646 -2.106 -0.205 1.00 0.09 C ATOM 358 O VAL A 24 -2.609 -2.287 0.996 1.00 0.10 O ATOM 359 CB VAL A 24 -4.637 -0.733 -0.848 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.809 0.284 -1.638 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.053 -0.794 -1.426 1.00 0.14 C ATOM 0 H VAL A 24 -5.220 -2.911 0.584 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.822 -2.336 -2.011 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.688 -0.434 0.199 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.274 1.267 -1.565 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.800 0.329 -1.228 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.762 -0.019 -2.684 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.520 0.188 -1.349 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.006 -1.092 -2.473 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.643 -1.521 -0.868 1.00 0.14 H new ATOM 371 N VAL A 25 -1.552 -1.921 -0.900 1.00 0.09 N ATOM 372 CA VAL A 25 -0.215 -1.920 -0.226 1.00 0.09 C ATOM 373 C VAL A 25 0.507 -0.614 -0.545 1.00 0.10 C ATOM 374 O VAL A 25 0.713 -0.272 -1.692 1.00 0.11 O ATOM 375 CB VAL A 25 0.615 -3.096 -0.745 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.924 -3.179 0.037 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.167 -4.397 -0.550 1.00 0.10 C ATOM 0 H VAL A 25 -1.526 -1.770 -1.908 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.347 -2.013 0.852 1.00 0.09 H new ATOM 0 HB VAL A 25 0.827 -2.949 -1.804 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.516 -4.017 -0.332 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.485 -2.253 -0.093 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.707 -3.326 1.095 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.424 -5.235 -0.919 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.377 -4.540 0.510 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.106 -4.343 -1.101 1.00 0.10 H new ATOM 387 N ASP A 26 0.900 0.115 0.465 1.00 0.11 N ATOM 388 CA ASP A 26 1.621 1.405 0.236 1.00 0.12 C ATOM 389 C ASP A 26 3.128 1.197 0.441 1.00 0.14 C ATOM 390 O ASP A 26 3.581 0.851 1.513 1.00 0.20 O ATOM 391 CB ASP A 26 1.095 2.452 1.224 1.00 0.14 C ATOM 392 CG ASP A 26 1.790 3.793 0.977 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.724 4.278 -0.141 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.368 4.319 1.915 1.00 1.04 O ATOM 0 H ASP A 26 0.753 -0.127 1.445 1.00 0.11 H new ATOM 0 HA ASP A 26 1.450 1.750 -0.784 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.017 2.564 1.109 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.274 2.122 2.247 1.00 0.14 H new ATOM 399 N PHE A 27 3.904 1.410 -0.586 1.00 0.13 N ATOM 400 CA PHE A 27 5.388 1.240 -0.487 1.00 0.13 C ATOM 401 C PHE A 27 6.048 2.588 -0.193 1.00 0.22 C ATOM 402 O PHE A 27 7.207 2.798 -0.491 1.00 0.73 O ATOM 403 CB PHE A 27 5.925 0.681 -1.811 1.00 0.11 C ATOM 404 CG PHE A 27 5.628 -0.797 -1.912 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.430 -1.710 -1.214 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.576 -1.258 -2.713 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.178 -3.081 -1.316 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.325 -2.633 -2.808 1.00 0.14 C ATOM 409 CZ PHE A 27 5.126 -3.542 -2.111 1.00 0.14 C ATOM 0 H PHE A 27 3.570 1.699 -1.505 1.00 0.13 H new ATOM 0 HA PHE A 27 5.618 0.547 0.322 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.469 1.209 -2.649 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.000 0.849 -1.876 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.242 -1.354 -0.598 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.960 -0.556 -3.256 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.797 -3.785 -0.780 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.511 -2.991 -3.421 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.931 -4.602 -2.187 1.00 0.14 H new ATOM 419 N SER A 28 5.319 3.514 0.361 1.00 0.30 N ATOM 420 CA SER A 28 5.908 4.855 0.635 1.00 0.24 C ATOM 421 C SER A 28 7.115 4.737 1.557 1.00 0.24 C ATOM 422 O SER A 28 7.185 3.884 2.420 1.00 0.28 O ATOM 423 CB SER A 28 4.868 5.745 1.314 1.00 0.27 C ATOM 424 OG SER A 28 3.741 5.894 0.458 1.00 0.29 O ATOM 0 H SER A 28 4.343 3.402 0.636 1.00 0.30 H new ATOM 0 HA SER A 28 6.219 5.289 -0.315 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.562 5.306 2.263 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.299 6.721 1.539 1.00 0.27 H new ATOM 0 HG SER A 28 3.017 6.340 0.945 1.00 0.29 H new ATOM 430 N ALA A 29 8.062 5.615 1.379 1.00 0.20 N ATOM 431 CA ALA A 29 9.273 5.599 2.235 1.00 0.21 C ATOM 432 C ALA A 29 8.983 6.427 3.479 1.00 0.22 C ATOM 433 O ALA A 29 8.626 7.586 3.397 1.00 0.22 O ATOM 434 CB ALA A 29 10.449 6.215 1.457 1.00 0.19 C ATOM 0 H ALA A 29 8.046 6.348 0.670 1.00 0.20 H new ATOM 0 HA ALA A 29 9.532 4.579 2.519 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.343 6.206 2.081 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.632 5.634 0.553 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.207 7.242 1.185 1.00 0.19 H new ATOM 440 N THR A 30 9.134 5.851 4.632 1.00 0.23 N ATOM 441 CA THR A 30 8.859 6.626 5.859 1.00 0.24 C ATOM 442 C THR A 30 9.886 7.757 5.950 1.00 0.22 C ATOM 443 O THR A 30 9.581 8.849 6.389 1.00 0.22 O ATOM 444 CB THR A 30 8.956 5.703 7.082 1.00 0.28 C ATOM 445 OG1 THR A 30 8.706 6.451 8.263 1.00 0.30 O ATOM 446 CG2 THR A 30 10.345 5.066 7.157 1.00 0.29 C ATOM 0 H THR A 30 9.433 4.886 4.775 1.00 0.23 H new ATOM 0 HA THR A 30 7.854 7.048 5.831 1.00 0.24 H new ATOM 0 HB THR A 30 8.212 4.912 6.989 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.767 5.861 9.043 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.400 4.414 8.029 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.526 4.482 6.255 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.100 5.848 7.241 1.00 0.29 H new ATOM 454 N TRP A 31 11.094 7.517 5.508 1.00 0.22 N ATOM 455 CA TRP A 31 12.130 8.596 5.554 1.00 0.21 C ATOM 456 C TRP A 31 11.817 9.701 4.541 1.00 0.19 C ATOM 457 O TRP A 31 12.261 10.822 4.686 1.00 0.22 O ATOM 458 CB TRP A 31 13.499 8.014 5.233 1.00 0.23 C ATOM 459 CG TRP A 31 13.520 7.491 3.828 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.356 6.197 3.492 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.705 8.217 2.573 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.469 6.069 2.119 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.675 7.286 1.507 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.902 9.573 2.258 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.835 7.683 0.180 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.061 9.977 0.921 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.028 9.033 -0.115 1.00 0.21 C ATOM 0 H TRP A 31 11.408 6.628 5.120 1.00 0.22 H new ATOM 0 HA TRP A 31 12.127 9.020 6.558 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.266 8.779 5.356 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.734 7.211 5.932 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.167 5.389 4.183 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.407 5.181 1.620 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.931 10.309 3.048 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.810 6.951 -0.614 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.210 11.022 0.690 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.152 9.350 -1.140 1.00 0.21 H new ATOM 478 N CYS A 32 11.068 9.408 3.513 1.00 0.18 N ATOM 479 CA CYS A 32 10.755 10.470 2.513 1.00 0.17 C ATOM 480 C CYS A 32 9.581 11.290 3.047 1.00 0.17 C ATOM 481 O CYS A 32 8.479 10.801 3.190 1.00 0.20 O ATOM 482 CB CYS A 32 10.392 9.817 1.166 1.00 0.18 C ATOM 483 SG CYS A 32 10.399 11.069 -0.151 1.00 0.26 S ATOM 0 H CYS A 32 10.663 8.491 3.323 1.00 0.18 H new ATOM 0 HA CYS A 32 11.616 11.120 2.356 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.105 9.026 0.932 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.409 9.351 1.231 1.00 0.18 H new ATOM 488 N GLY A 33 9.824 12.533 3.374 1.00 0.20 N ATOM 489 CA GLY A 33 8.742 13.388 3.936 1.00 0.23 C ATOM 490 C GLY A 33 7.573 13.518 2.957 1.00 0.21 C ATOM 491 O GLY A 33 6.436 13.312 3.331 1.00 0.22 O ATOM 0 H GLY A 33 10.729 12.992 3.275 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.388 12.961 4.874 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.139 14.377 4.166 1.00 0.23 H new ATOM 495 N PRO A 34 7.818 13.863 1.717 1.00 0.21 N ATOM 496 CA PRO A 34 6.704 13.990 0.742 1.00 0.22 C ATOM 497 C PRO A 34 5.813 12.741 0.723 1.00 0.22 C ATOM 498 O PRO A 34 4.611 12.829 0.594 1.00 0.24 O ATOM 499 CB PRO A 34 7.461 14.160 -0.584 1.00 0.29 C ATOM 500 CG PRO A 34 8.887 14.615 -0.244 1.00 0.31 C ATOM 501 CD PRO A 34 9.185 14.159 1.196 1.00 0.24 C ATOM 0 HA PRO A 34 6.019 14.807 0.969 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.480 13.222 -1.138 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.965 14.895 -1.218 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.605 14.181 -0.940 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.975 15.698 -0.330 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.830 13.281 1.221 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.683 14.936 1.775 1.00 0.24 H new ATOM 509 N ALA A 35 6.395 11.575 0.853 1.00 0.21 N ATOM 510 CA ALA A 35 5.572 10.331 0.838 1.00 0.23 C ATOM 511 C ALA A 35 4.875 10.148 2.196 1.00 0.23 C ATOM 512 O ALA A 35 3.691 9.891 2.264 1.00 0.22 O ATOM 513 CB ALA A 35 6.471 9.118 0.540 1.00 0.24 C ATOM 0 H ALA A 35 7.398 11.433 0.968 1.00 0.21 H new ATOM 0 HA ALA A 35 4.813 10.412 0.060 1.00 0.23 H new ATOM 0 HB1 ALA A 35 5.867 8.211 0.530 1.00 0.24 H new ATOM 0 HB2 ALA A 35 6.947 9.248 -0.432 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.237 9.035 1.311 1.00 0.24 H new ATOM 519 N LYS A 36 5.599 10.289 3.275 1.00 0.25 N ATOM 520 CA LYS A 36 4.977 10.127 4.625 1.00 0.27 C ATOM 521 C LYS A 36 3.850 11.153 4.785 1.00 0.26 C ATOM 522 O LYS A 36 2.864 10.913 5.451 1.00 0.27 O ATOM 523 CB LYS A 36 6.042 10.355 5.706 1.00 0.33 C ATOM 524 CG LYS A 36 5.480 9.994 7.087 1.00 0.37 C ATOM 525 CD LYS A 36 6.434 10.502 8.177 1.00 0.44 C ATOM 526 CE LYS A 36 5.917 10.085 9.558 1.00 0.89 C ATOM 527 NZ LYS A 36 6.890 10.511 10.609 1.00 1.59 N ATOM 0 H LYS A 36 6.595 10.509 3.281 1.00 0.25 H new ATOM 0 HA LYS A 36 4.570 9.121 4.727 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.922 9.748 5.493 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.363 11.397 5.697 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.493 10.438 7.217 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.357 8.914 7.171 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.433 10.097 8.016 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.517 11.587 8.123 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.943 10.538 9.745 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.778 9.005 9.594 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.537 10.227 11.545 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.810 10.059 10.434 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 7.002 11.545 10.580 1.00 1.59 H new ATOM 541 N MET A 37 3.993 12.290 4.168 1.00 0.28 N ATOM 542 CA MET A 37 2.947 13.349 4.267 1.00 0.30 C ATOM 543 C MET A 37 1.614 12.820 3.727 1.00 0.25 C ATOM 544 O MET A 37 0.563 13.252 4.141 1.00 0.25 O ATOM 545 CB MET A 37 3.394 14.566 3.446 1.00 0.38 C ATOM 546 CG MET A 37 2.443 15.746 3.681 1.00 0.44 C ATOM 547 SD MET A 37 0.924 15.505 2.724 1.00 1.54 S ATOM 548 CE MET A 37 0.289 17.192 2.871 1.00 2.10 C ATOM 0 H MET A 37 4.798 12.536 3.592 1.00 0.28 H new ATOM 0 HA MET A 37 2.813 13.636 5.310 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.409 14.848 3.724 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.413 14.311 2.386 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.207 15.830 4.742 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.925 16.678 3.387 1.00 0.44 H new ATOM 0 HE1 MET A 37 -0.661 17.270 2.343 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.140 17.434 3.923 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.005 17.889 2.436 1.00 2.10 H new ATOM 558 N ILE A 38 1.657 11.915 2.792 1.00 0.23 N ATOM 559 CA ILE A 38 0.400 11.362 2.197 1.00 0.25 C ATOM 560 C ILE A 38 -0.213 10.273 3.096 1.00 0.26 C ATOM 561 O ILE A 38 -1.257 9.734 2.793 1.00 0.31 O ATOM 562 CB ILE A 38 0.698 10.752 0.814 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.610 11.689 0.014 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.611 10.549 0.040 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.077 10.996 -1.268 1.00 0.49 C ATOM 0 H ILE A 38 2.518 11.527 2.407 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.311 12.183 2.103 1.00 0.25 H new ATOM 0 HB ILE A 38 1.194 9.792 0.955 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.076 12.607 -0.233 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.472 11.974 0.618 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.393 10.117 -0.937 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.262 9.876 0.597 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.109 11.510 -0.091 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.724 11.669 -1.830 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.628 10.091 -1.012 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.211 10.734 -1.876 1.00 0.49 H new ATOM 577 N LYS A 39 0.434 9.889 4.163 1.00 0.27 N ATOM 578 CA LYS A 39 -0.144 8.780 4.984 1.00 0.34 C ATOM 579 C LYS A 39 -1.547 9.095 5.553 1.00 0.30 C ATOM 580 O LYS A 39 -2.316 8.183 5.738 1.00 0.33 O ATOM 581 CB LYS A 39 0.817 8.345 6.125 1.00 0.46 C ATOM 582 CG LYS A 39 0.768 9.287 7.355 1.00 0.50 C ATOM 583 CD LYS A 39 1.318 8.565 8.600 1.00 0.65 C ATOM 584 CE LYS A 39 0.405 7.391 9.008 1.00 0.80 C ATOM 585 NZ LYS A 39 0.932 6.128 8.417 1.00 0.75 N ATOM 0 H LYS A 39 1.314 10.281 4.498 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.266 7.947 4.291 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.563 7.333 6.440 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.836 8.312 5.740 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.354 10.185 7.158 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.258 9.608 7.535 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.323 8.195 8.396 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.400 9.270 9.427 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.363 7.308 10.094 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.613 7.570 8.663 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.190 5.676 7.845 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.751 6.343 7.814 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.223 5.483 9.179 1.00 0.75 H new ATOM 599 N PRO A 40 -1.911 10.324 5.872 1.00 0.26 N ATOM 600 CA PRO A 40 -3.265 10.567 6.448 1.00 0.25 C ATOM 601 C PRO A 40 -4.377 10.126 5.503 1.00 0.20 C ATOM 602 O PRO A 40 -5.381 9.609 5.925 1.00 0.21 O ATOM 603 CB PRO A 40 -3.257 12.089 6.638 1.00 0.26 C ATOM 604 CG PRO A 40 -1.793 12.513 6.646 1.00 0.28 C ATOM 605 CD PRO A 40 -1.075 11.542 5.708 1.00 0.27 C ATOM 0 HA PRO A 40 -3.456 10.007 7.363 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.800 12.584 5.833 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.747 12.367 7.571 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.682 13.542 6.304 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.377 12.465 7.652 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.061 11.897 4.678 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.039 11.374 6.002 1.00 0.27 H new ATOM 613 N PHE A 41 -4.213 10.316 4.226 1.00 0.16 N ATOM 614 CA PHE A 41 -5.289 9.879 3.305 1.00 0.13 C ATOM 615 C PHE A 41 -5.285 8.354 3.258 1.00 0.13 C ATOM 616 O PHE A 41 -6.283 7.705 3.483 1.00 0.15 O ATOM 617 CB PHE A 41 -5.013 10.415 1.903 1.00 0.14 C ATOM 618 CG PHE A 41 -5.144 11.916 1.885 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.135 12.712 2.438 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.269 12.511 1.305 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.252 14.107 2.413 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.386 13.906 1.279 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.377 14.704 1.833 1.00 0.37 C ATOM 0 H PHE A 41 -3.398 10.746 3.789 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.252 10.253 3.652 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.011 10.126 1.586 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.712 9.973 1.193 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.266 12.251 2.884 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.047 11.895 0.878 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.474 14.722 2.841 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.254 14.367 0.832 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.467 15.780 1.813 1.00 0.37 H new ATOM 633 N PHE A 42 -4.142 7.778 3.012 1.00 0.12 N ATOM 634 CA PHE A 42 -4.044 6.293 2.969 1.00 0.13 C ATOM 635 C PHE A 42 -4.465 5.727 4.322 1.00 0.14 C ATOM 636 O PHE A 42 -5.257 4.812 4.409 1.00 0.16 O ATOM 637 CB PHE A 42 -2.584 5.919 2.664 1.00 0.13 C ATOM 638 CG PHE A 42 -2.443 4.418 2.582 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.776 3.744 1.401 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.992 3.697 3.697 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.659 2.349 1.335 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.872 2.302 3.632 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.208 1.628 2.451 1.00 0.13 C ATOM 0 H PHE A 42 -3.268 8.274 2.838 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.697 5.882 2.199 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.272 6.374 1.724 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.929 6.312 3.441 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.123 4.299 0.542 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.737 4.218 4.608 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.916 1.828 0.424 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.521 1.748 4.490 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.120 0.553 2.399 1.00 0.13 H new ATOM 653 N HIS A 43 -3.961 6.289 5.376 1.00 0.16 N ATOM 654 CA HIS A 43 -4.329 5.816 6.738 1.00 0.18 C ATOM 655 C HIS A 43 -5.801 6.135 7.049 1.00 0.16 C ATOM 656 O HIS A 43 -6.529 5.308 7.556 1.00 0.16 O ATOM 657 CB HIS A 43 -3.398 6.495 7.754 1.00 0.23 C ATOM 658 CG HIS A 43 -3.746 6.042 9.139 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.126 4.960 9.742 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.700 6.469 10.021 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.721 4.770 10.936 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.689 5.665 11.156 1.00 0.31 N ATOM 0 H HIS A 43 -3.301 7.066 5.356 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.213 4.734 6.796 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.360 6.250 7.531 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.492 7.578 7.681 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.363 7.306 9.860 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.449 3.989 11.631 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.289 5.742 11.977 1.00 0.31 H new ATOM 670 N SER A 44 -6.239 7.331 6.757 1.00 0.15 N ATOM 671 CA SER A 44 -7.662 7.709 7.043 1.00 0.15 C ATOM 672 C SER A 44 -8.637 6.826 6.258 1.00 0.13 C ATOM 673 O SER A 44 -9.686 6.454 6.744 1.00 0.15 O ATOM 674 CB SER A 44 -7.909 9.166 6.655 1.00 0.18 C ATOM 675 OG SER A 44 -7.093 10.012 7.454 1.00 0.22 O ATOM 0 H SER A 44 -5.675 8.067 6.332 1.00 0.15 H new ATOM 0 HA SER A 44 -7.830 7.569 8.111 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.683 9.316 5.599 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.960 9.418 6.795 1.00 0.18 H new ATOM 0 HG SER A 44 -6.225 10.137 7.017 1.00 0.22 H new ATOM 681 N LEU A 45 -8.317 6.528 5.031 1.00 0.12 N ATOM 682 CA LEU A 45 -9.236 5.712 4.189 1.00 0.14 C ATOM 683 C LEU A 45 -9.453 4.330 4.803 1.00 0.13 C ATOM 684 O LEU A 45 -10.430 3.667 4.517 1.00 0.15 O ATOM 685 CB LEU A 45 -8.643 5.564 2.792 1.00 0.16 C ATOM 686 CG LEU A 45 -8.702 6.915 2.045 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.681 6.915 0.903 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.102 7.140 1.451 1.00 0.22 C ATOM 0 H LEU A 45 -7.453 6.816 4.572 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.200 6.218 4.132 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.610 5.222 2.861 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.193 4.806 2.233 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.477 7.711 2.754 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.724 7.869 0.377 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.680 6.769 1.310 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.912 6.107 0.209 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.126 8.096 0.928 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.333 6.338 0.750 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.841 7.146 2.253 1.00 0.22 H new ATOM 700 N SER A 46 -8.555 3.878 5.631 1.00 0.12 N ATOM 701 CA SER A 46 -8.734 2.532 6.239 1.00 0.12 C ATOM 702 C SER A 46 -10.082 2.488 6.937 1.00 0.14 C ATOM 703 O SER A 46 -10.770 1.487 6.913 1.00 0.16 O ATOM 704 CB SER A 46 -7.619 2.263 7.251 1.00 0.13 C ATOM 705 OG SER A 46 -6.369 2.266 6.578 1.00 0.14 O ATOM 0 H SER A 46 -7.711 4.378 5.911 1.00 0.12 H new ATOM 0 HA SER A 46 -8.692 1.769 5.462 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.628 3.024 8.031 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.780 1.303 7.741 1.00 0.13 H new ATOM 0 HG SER A 46 -5.974 3.162 6.626 1.00 0.14 H new ATOM 711 N GLU A 47 -10.469 3.557 7.566 1.00 0.15 N ATOM 712 CA GLU A 47 -11.788 3.576 8.254 1.00 0.18 C ATOM 713 C GLU A 47 -12.876 3.978 7.251 1.00 0.18 C ATOM 714 O GLU A 47 -14.047 3.770 7.491 1.00 0.21 O ATOM 715 CB GLU A 47 -11.754 4.593 9.399 1.00 0.22 C ATOM 716 CG GLU A 47 -10.845 4.096 10.530 1.00 0.23 C ATOM 717 CD GLU A 47 -11.442 2.837 11.164 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.605 2.564 10.916 1.00 2.16 O ATOM 719 OE2 GLU A 47 -10.728 2.169 11.895 1.00 2.05 O ATOM 0 H GLU A 47 -9.930 4.420 7.635 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.004 2.585 8.654 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.394 5.553 9.030 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.762 4.756 9.779 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -9.850 3.881 10.140 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.730 4.874 11.285 1.00 0.23 H new ATOM 726 N LYS A 48 -12.510 4.547 6.125 1.00 0.17 N ATOM 727 CA LYS A 48 -13.558 4.926 5.134 1.00 0.19 C ATOM 728 C LYS A 48 -14.000 3.655 4.436 1.00 0.18 C ATOM 729 O LYS A 48 -15.158 3.473 4.125 1.00 0.21 O ATOM 730 CB LYS A 48 -13.013 5.919 4.107 1.00 0.20 C ATOM 731 CG LYS A 48 -14.160 6.384 3.204 1.00 0.30 C ATOM 732 CD LYS A 48 -13.619 7.314 2.119 1.00 0.82 C ATOM 733 CE LYS A 48 -14.787 7.906 1.331 1.00 1.03 C ATOM 734 NZ LYS A 48 -15.489 6.818 0.594 1.00 1.78 N ATOM 0 H LYS A 48 -11.549 4.760 5.857 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.393 5.408 5.643 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.562 6.773 4.612 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.230 5.451 3.510 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.648 5.523 2.748 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.915 6.901 3.796 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.028 8.112 2.569 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.956 6.765 1.451 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.479 8.407 2.007 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -14.424 8.659 0.631 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -16.219 7.230 -0.021 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -14.804 6.293 0.014 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -15.935 6.170 1.274 1.00 1.78 H new ATOM 748 N TYR A 49 -13.071 2.758 4.218 1.00 0.16 N ATOM 749 CA TYR A 49 -13.408 1.449 3.577 1.00 0.17 C ATOM 750 C TYR A 49 -12.941 0.342 4.518 1.00 0.16 C ATOM 751 O TYR A 49 -12.025 -0.402 4.227 1.00 0.16 O ATOM 752 CB TYR A 49 -12.689 1.324 2.229 1.00 0.17 C ATOM 753 CG TYR A 49 -13.198 2.391 1.288 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.495 2.300 0.770 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.378 3.469 0.932 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.974 3.285 -0.099 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.859 4.455 0.062 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.155 4.363 -0.454 1.00 0.21 C ATOM 759 OH TYR A 49 -14.628 5.334 -1.313 1.00 0.25 O ATOM 0 H TYR A 49 -12.087 2.877 4.458 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.481 1.376 3.399 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.613 1.429 2.367 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.861 0.336 1.803 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.127 1.467 1.042 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.376 3.540 1.328 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.976 3.214 -0.496 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.228 5.288 -0.211 1.00 0.20 H new ATOM 0 HH TYR A 49 -15.602 5.257 -1.390 1.00 0.25 H new ATOM 769 N SER A 50 -13.580 0.229 5.649 1.00 0.17 N ATOM 770 CA SER A 50 -13.195 -0.815 6.627 1.00 0.18 C ATOM 771 C SER A 50 -13.449 -2.188 6.000 1.00 0.19 C ATOM 772 O SER A 50 -13.066 -3.209 6.534 1.00 0.21 O ATOM 773 CB SER A 50 -14.021 -0.632 7.900 1.00 0.20 C ATOM 774 OG SER A 50 -15.376 -0.983 7.650 1.00 0.22 O ATOM 0 H SER A 50 -14.358 0.822 5.936 1.00 0.17 H new ATOM 0 HA SER A 50 -12.139 -0.736 6.886 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.616 -1.253 8.699 1.00 0.20 H new ATOM 0 HB3 SER A 50 -13.960 0.402 8.238 1.00 0.20 H new ATOM 0 HG SER A 50 -15.901 -0.866 8.469 1.00 0.22 H new ATOM 780 N ASN A 51 -14.075 -2.210 4.850 1.00 0.20 N ATOM 781 CA ASN A 51 -14.344 -3.502 4.155 1.00 0.23 C ATOM 782 C ASN A 51 -13.147 -3.816 3.254 1.00 0.19 C ATOM 783 O ASN A 51 -13.142 -4.778 2.510 1.00 0.22 O ATOM 784 CB ASN A 51 -15.608 -3.362 3.302 1.00 0.32 C ATOM 785 CG ASN A 51 -16.073 -4.740 2.824 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.549 -5.540 3.606 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.959 -5.051 1.561 1.00 0.27 N ATOM 0 H ASN A 51 -14.413 -1.381 4.361 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.490 -4.304 4.879 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.397 -2.884 3.882 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.409 -2.719 2.445 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.269 -5.965 1.231 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.560 -4.380 0.905 1.00 0.27 H new ATOM 794 N VAL A 52 -12.122 -3.006 3.342 1.00 0.21 N ATOM 795 CA VAL A 52 -10.882 -3.218 2.536 1.00 0.17 C ATOM 796 C VAL A 52 -9.697 -3.198 3.498 1.00 0.13 C ATOM 797 O VAL A 52 -9.696 -2.455 4.456 1.00 0.14 O ATOM 798 CB VAL A 52 -10.738 -2.090 1.502 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.329 -2.115 0.876 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.794 -2.277 0.406 1.00 0.24 C ATOM 0 H VAL A 52 -12.093 -2.189 3.952 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.925 -4.169 2.005 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.883 -1.129 1.996 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.241 -1.311 0.146 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.581 -1.979 1.657 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.167 -3.073 0.382 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.698 -1.480 -0.331 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.647 -3.241 -0.080 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.789 -2.243 0.850 1.00 0.24 H new ATOM 810 N ILE A 53 -8.694 -4.014 3.277 1.00 0.11 N ATOM 811 CA ILE A 53 -7.532 -4.023 4.224 1.00 0.09 C ATOM 812 C ILE A 53 -6.392 -3.184 3.632 1.00 0.09 C ATOM 813 O ILE A 53 -5.915 -3.453 2.547 1.00 0.12 O ATOM 814 CB ILE A 53 -7.034 -5.463 4.417 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.225 -6.382 4.743 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.016 -5.509 5.579 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.042 -5.806 5.906 1.00 0.15 C ATOM 0 H ILE A 53 -8.628 -4.665 2.495 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.846 -3.610 5.182 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.553 -5.803 3.500 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.860 -6.491 3.864 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.864 -7.378 5.002 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.664 -6.532 5.714 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.170 -4.862 5.347 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.495 -5.166 6.496 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.880 -6.467 6.124 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.408 -5.720 6.789 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.419 -4.820 5.633 1.00 0.15 H new ATOM 829 N PHE A 54 -5.944 -2.178 4.342 1.00 0.08 N ATOM 830 CA PHE A 54 -4.821 -1.326 3.829 1.00 0.09 C ATOM 831 C PHE A 54 -3.517 -1.750 4.507 1.00 0.09 C ATOM 832 O PHE A 54 -3.439 -1.830 5.718 1.00 0.12 O ATOM 833 CB PHE A 54 -5.069 0.147 4.180 1.00 0.10 C ATOM 834 CG PHE A 54 -6.260 0.684 3.424 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.548 0.266 3.764 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.079 1.616 2.391 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.656 0.775 3.076 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.186 2.123 1.702 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.474 1.703 2.046 1.00 0.10 C ATOM 0 H PHE A 54 -6.307 -1.908 5.256 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.759 -1.448 2.748 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.238 0.247 5.252 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.184 0.737 3.940 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.690 -0.451 4.559 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.084 1.942 2.127 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.652 0.451 3.341 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.046 2.838 0.905 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.329 2.095 1.516 1.00 0.10 H new ATOM 849 N LEU A 55 -2.486 -2.004 3.739 1.00 0.09 N ATOM 850 CA LEU A 55 -1.163 -2.397 4.329 1.00 0.11 C ATOM 851 C LEU A 55 -0.155 -1.289 4.074 1.00 0.10 C ATOM 852 O LEU A 55 -0.117 -0.700 3.011 1.00 0.10 O ATOM 853 CB LEU A 55 -0.607 -3.697 3.707 1.00 0.12 C ATOM 854 CG LEU A 55 -1.420 -4.937 4.130 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.912 -4.767 3.817 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.874 -6.164 3.391 1.00 0.22 C ATOM 0 H LEU A 55 -2.502 -1.956 2.720 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.320 -2.562 5.395 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.617 -3.611 2.620 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.433 -3.826 4.007 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.320 -5.066 5.208 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.453 -5.660 4.129 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.300 -3.902 4.354 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.044 -4.618 2.745 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.442 -7.047 3.683 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -0.967 -6.012 2.316 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.176 -6.306 3.648 1.00 0.22 H new ATOM 868 N GLU A 56 0.686 -1.034 5.035 1.00 0.12 N ATOM 869 CA GLU A 56 1.742 0.001 4.877 1.00 0.13 C ATOM 870 C GLU A 56 3.070 -0.739 4.794 1.00 0.13 C ATOM 871 O GLU A 56 3.325 -1.638 5.570 1.00 0.14 O ATOM 872 CB GLU A 56 1.747 0.929 6.095 1.00 0.15 C ATOM 873 CG GLU A 56 2.658 2.125 5.818 1.00 0.17 C ATOM 874 CD GLU A 56 2.742 2.998 7.070 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.434 2.606 7.995 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.109 4.040 7.083 1.00 1.13 O ATOM 0 H GLU A 56 0.686 -1.507 5.938 1.00 0.12 H new ATOM 0 HA GLU A 56 1.568 0.606 3.987 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.735 1.271 6.310 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.095 0.389 6.976 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.652 1.781 5.533 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.270 2.706 4.981 1.00 0.17 H new ATOM 883 N VAL A 57 3.904 -0.406 3.843 1.00 0.12 N ATOM 884 CA VAL A 57 5.209 -1.128 3.696 1.00 0.12 C ATOM 885 C VAL A 57 6.361 -0.124 3.582 1.00 0.11 C ATOM 886 O VAL A 57 6.309 0.810 2.808 1.00 0.13 O ATOM 887 CB VAL A 57 5.158 -1.974 2.424 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.440 -2.783 2.298 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.972 -2.927 2.497 1.00 0.14 C ATOM 0 H VAL A 57 3.740 0.334 3.161 1.00 0.12 H new ATOM 0 HA VAL A 57 5.374 -1.759 4.570 1.00 0.12 H new ATOM 0 HB VAL A 57 5.052 -1.319 1.559 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.402 -3.386 1.391 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.294 -2.107 2.249 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.544 -3.437 3.164 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.934 -3.531 1.590 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.082 -3.579 3.363 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.050 -2.354 2.590 1.00 0.14 H new ATOM 899 N ASP A 58 7.413 -0.323 4.335 1.00 0.10 N ATOM 900 CA ASP A 58 8.583 0.600 4.267 1.00 0.09 C ATOM 901 C ASP A 58 9.614 0.006 3.312 1.00 0.09 C ATOM 902 O ASP A 58 10.110 -1.081 3.529 1.00 0.09 O ATOM 903 CB ASP A 58 9.215 0.715 5.650 1.00 0.10 C ATOM 904 CG ASP A 58 10.253 1.842 5.643 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.454 2.429 4.593 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.825 2.099 6.688 1.00 1.05 O ATOM 0 H ASP A 58 7.511 -1.092 4.998 1.00 0.10 H new ATOM 0 HA ASP A 58 8.261 1.583 3.923 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.447 0.917 6.397 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.687 -0.228 5.926 1.00 0.10 H new ATOM 911 N VAL A 59 9.967 0.699 2.273 1.00 0.09 N ATOM 912 CA VAL A 59 10.984 0.133 1.351 1.00 0.10 C ATOM 913 C VAL A 59 12.318 0.088 2.091 1.00 0.11 C ATOM 914 O VAL A 59 13.229 -0.624 1.720 1.00 0.12 O ATOM 915 CB VAL A 59 11.119 1.029 0.122 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.787 1.079 -0.624 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.514 2.439 0.565 1.00 0.16 C ATOM 0 H VAL A 59 9.603 1.619 2.023 1.00 0.09 H new ATOM 0 HA VAL A 59 10.689 -0.866 1.031 1.00 0.10 H new ATOM 0 HB VAL A 59 11.886 0.627 -0.540 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.885 1.719 -1.501 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.508 0.073 -0.938 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.016 1.481 0.034 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.611 3.081 -0.310 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.747 2.841 1.227 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.466 2.401 1.095 1.00 0.16 H new ATOM 927 N ASP A 60 12.442 0.877 3.130 1.00 0.10 N ATOM 928 CA ASP A 60 13.723 0.915 3.895 1.00 0.12 C ATOM 929 C ASP A 60 13.727 -0.114 5.041 1.00 0.13 C ATOM 930 O ASP A 60 14.706 -0.808 5.238 1.00 0.15 O ATOM 931 CB ASP A 60 13.883 2.328 4.453 1.00 0.14 C ATOM 932 CG ASP A 60 14.388 3.256 3.345 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.569 3.710 2.567 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.586 3.486 3.289 1.00 1.07 O ATOM 0 H ASP A 60 11.710 1.496 3.480 1.00 0.10 H new ATOM 0 HA ASP A 60 14.553 0.659 3.236 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.930 2.689 4.839 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.584 2.324 5.288 1.00 0.14 H new ATOM 939 N ASP A 61 12.653 -0.247 5.786 1.00 0.13 N ATOM 940 CA ASP A 61 12.638 -1.263 6.898 1.00 0.15 C ATOM 941 C ASP A 61 11.987 -2.538 6.371 1.00 0.14 C ATOM 942 O ASP A 61 12.079 -3.595 6.965 1.00 0.19 O ATOM 943 CB ASP A 61 11.840 -0.740 8.103 1.00 0.16 C ATOM 944 CG ASP A 61 12.482 0.545 8.628 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.678 0.700 8.450 1.00 1.01 O ATOM 946 OD2 ASP A 61 11.768 1.350 9.202 1.00 1.07 O ATOM 0 H ASP A 61 11.795 0.294 5.677 1.00 0.13 H new ATOM 0 HA ASP A 61 13.659 -1.458 7.225 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.807 -0.549 7.812 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.816 -1.494 8.890 1.00 0.16 H new ATOM 951 N ALA A 62 11.335 -2.433 5.244 1.00 0.11 N ATOM 952 CA ALA A 62 10.668 -3.609 4.615 1.00 0.12 C ATOM 953 C ALA A 62 11.227 -3.742 3.199 1.00 0.11 C ATOM 954 O ALA A 62 10.521 -4.021 2.251 1.00 0.12 O ATOM 955 CB ALA A 62 9.142 -3.384 4.583 1.00 0.14 C ATOM 0 H ALA A 62 11.235 -1.562 4.722 1.00 0.11 H new ATOM 0 HA ALA A 62 10.857 -4.521 5.181 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.657 -4.245 4.123 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.771 -3.259 5.600 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.918 -2.489 4.003 1.00 0.14 H new ATOM 961 N GLN A 63 12.498 -3.520 3.059 1.00 0.11 N ATOM 962 CA GLN A 63 13.129 -3.593 1.720 1.00 0.12 C ATOM 963 C GLN A 63 12.940 -4.993 1.148 1.00 0.12 C ATOM 964 O GLN A 63 12.906 -5.179 -0.052 1.00 0.14 O ATOM 965 CB GLN A 63 14.624 -3.282 1.856 1.00 0.13 C ATOM 966 CG GLN A 63 15.307 -4.384 2.673 1.00 0.15 C ATOM 967 CD GLN A 63 16.738 -3.964 3.012 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.219 -4.230 4.096 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.444 -3.316 2.127 1.00 1.43 N ATOM 0 H GLN A 63 13.133 -3.289 3.823 1.00 0.11 H new ATOM 0 HA GLN A 63 12.667 -2.869 1.049 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.082 -3.210 0.869 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.762 -2.316 2.342 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.746 -4.571 3.589 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.316 -5.316 2.108 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.041 -3.093 1.217 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.399 -3.033 2.345 1.00 1.43 H new ATOM 978 N ASP A 64 12.805 -5.981 1.984 1.00 0.13 N ATOM 979 CA ASP A 64 12.612 -7.354 1.459 1.00 0.13 C ATOM 980 C ASP A 64 11.274 -7.421 0.723 1.00 0.15 C ATOM 981 O ASP A 64 11.146 -8.073 -0.292 1.00 0.16 O ATOM 982 CB ASP A 64 12.627 -8.365 2.613 1.00 0.17 C ATOM 983 CG ASP A 64 11.661 -7.929 3.715 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.492 -7.777 3.422 1.00 1.05 O ATOM 985 OD2 ASP A 64 12.109 -7.773 4.839 1.00 1.02 O ATOM 0 H ASP A 64 12.820 -5.897 3.000 1.00 0.13 H new ATOM 0 HA ASP A 64 13.421 -7.600 0.771 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.347 -9.352 2.244 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.636 -8.450 3.017 1.00 0.17 H new ATOM 990 N VAL A 65 10.276 -6.746 1.224 1.00 0.17 N ATOM 991 CA VAL A 65 8.951 -6.779 0.548 1.00 0.22 C ATOM 992 C VAL A 65 9.024 -6.010 -0.774 1.00 0.22 C ATOM 993 O VAL A 65 8.556 -6.462 -1.801 1.00 0.26 O ATOM 994 CB VAL A 65 7.912 -6.098 1.444 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.509 -6.414 0.923 1.00 0.35 C ATOM 996 CG2 VAL A 65 8.058 -6.591 2.886 1.00 0.32 C ATOM 0 H VAL A 65 10.321 -6.176 2.069 1.00 0.17 H new ATOM 0 HA VAL A 65 8.673 -7.816 0.360 1.00 0.22 H new ATOM 0 HB VAL A 65 8.071 -5.020 1.426 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.767 -5.931 1.559 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.408 -6.045 -0.098 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.350 -7.492 0.936 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.315 -6.101 3.515 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.906 -7.670 2.919 1.00 0.32 H new ATOM 0 HG23 VAL A 65 9.057 -6.354 3.252 1.00 0.32 H new ATOM 1006 N ALA A 66 9.588 -4.835 -0.743 1.00 0.19 N ATOM 1007 CA ALA A 66 9.673 -4.010 -1.981 1.00 0.22 C ATOM 1008 C ALA A 66 10.669 -4.620 -2.974 1.00 0.23 C ATOM 1009 O ALA A 66 10.469 -4.570 -4.171 1.00 0.26 O ATOM 1010 CB ALA A 66 10.110 -2.587 -1.612 1.00 0.25 C ATOM 0 H ALA A 66 9.995 -4.409 0.089 1.00 0.19 H new ATOM 0 HA ALA A 66 8.692 -3.984 -2.455 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.173 -1.980 -2.515 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.382 -2.148 -0.930 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.086 -2.620 -1.128 1.00 0.25 H new ATOM 1016 N SER A 67 11.748 -5.176 -2.495 1.00 0.21 N ATOM 1017 CA SER A 67 12.751 -5.761 -3.431 1.00 0.23 C ATOM 1018 C SER A 67 12.102 -6.886 -4.240 1.00 0.23 C ATOM 1019 O SER A 67 12.431 -7.109 -5.388 1.00 0.24 O ATOM 1020 CB SER A 67 13.933 -6.316 -2.633 1.00 0.23 C ATOM 1021 OG SER A 67 13.482 -7.379 -1.804 1.00 0.22 O ATOM 0 H SER A 67 11.978 -5.251 -1.504 1.00 0.21 H new ATOM 0 HA SER A 67 13.107 -4.987 -4.111 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.709 -6.672 -3.311 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.378 -5.529 -2.025 1.00 0.23 H new ATOM 0 HG SER A 67 12.544 -7.230 -1.563 1.00 0.22 H new ATOM 1027 N GLU A 68 11.175 -7.586 -3.656 1.00 0.23 N ATOM 1028 CA GLU A 68 10.489 -8.686 -4.388 1.00 0.25 C ATOM 1029 C GLU A 68 9.652 -8.092 -5.525 1.00 0.22 C ATOM 1030 O GLU A 68 9.510 -8.680 -6.581 1.00 0.24 O ATOM 1031 CB GLU A 68 9.586 -9.452 -3.413 1.00 0.29 C ATOM 1032 CG GLU A 68 9.037 -10.718 -4.086 1.00 0.32 C ATOM 1033 CD GLU A 68 7.948 -10.346 -5.095 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.366 -9.284 -4.947 1.00 2.06 O ATOM 1035 OE2 GLU A 68 7.714 -11.132 -5.999 1.00 1.96 O ATOM 0 H GLU A 68 10.860 -7.444 -2.696 1.00 0.23 H new ATOM 0 HA GLU A 68 11.225 -9.371 -4.808 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.149 -9.721 -2.519 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.762 -8.815 -3.092 1.00 0.29 H new ATOM 0 HG2 GLU A 68 9.844 -11.251 -4.589 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.631 -11.393 -3.333 1.00 0.32 H new ATOM 1042 N ALA A 69 9.073 -6.941 -5.306 1.00 0.20 N ATOM 1043 CA ALA A 69 8.222 -6.311 -6.359 1.00 0.20 C ATOM 1044 C ALA A 69 9.069 -5.441 -7.298 1.00 0.19 C ATOM 1045 O ALA A 69 8.552 -4.844 -8.221 1.00 0.20 O ATOM 1046 CB ALA A 69 7.147 -5.453 -5.685 1.00 0.23 C ATOM 0 H ALA A 69 9.153 -6.408 -4.440 1.00 0.20 H new ATOM 0 HA ALA A 69 7.754 -7.096 -6.953 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.521 -4.989 -6.447 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.530 -6.081 -5.042 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.624 -4.677 -5.086 1.00 0.23 H new ATOM 1052 N GLU A 70 10.358 -5.356 -7.075 1.00 0.18 N ATOM 1053 CA GLU A 70 11.210 -4.514 -7.970 1.00 0.18 C ATOM 1054 C GLU A 70 10.655 -3.093 -8.032 1.00 0.17 C ATOM 1055 O GLU A 70 10.472 -2.537 -9.098 1.00 0.18 O ATOM 1056 CB GLU A 70 11.258 -5.109 -9.387 1.00 0.22 C ATOM 1057 CG GLU A 70 12.067 -6.407 -9.379 1.00 0.24 C ATOM 1058 CD GLU A 70 11.277 -7.512 -8.675 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.059 -7.480 -8.741 1.00 2.02 O ATOM 1060 OE2 GLU A 70 11.905 -8.370 -8.076 1.00 2.02 O ATOM 0 H GLU A 70 10.853 -5.829 -6.319 1.00 0.18 H new ATOM 0 HA GLU A 70 12.221 -4.492 -7.563 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.247 -5.303 -9.744 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.708 -4.394 -10.076 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.297 -6.708 -10.401 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.018 -6.249 -8.871 1.00 0.24 H new ATOM 1067 N VAL A 71 10.388 -2.489 -6.905 1.00 0.15 N ATOM 1068 CA VAL A 71 9.836 -1.107 -6.938 1.00 0.14 C ATOM 1069 C VAL A 71 10.907 -0.165 -7.474 1.00 0.14 C ATOM 1070 O VAL A 71 12.055 -0.215 -7.071 1.00 0.16 O ATOM 1071 CB VAL A 71 9.440 -0.654 -5.533 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.716 0.690 -5.643 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.510 -1.692 -4.895 1.00 0.15 C ATOM 0 H VAL A 71 10.526 -2.887 -5.976 1.00 0.15 H new ATOM 0 HA VAL A 71 8.953 -1.092 -7.577 1.00 0.14 H new ATOM 0 HB VAL A 71 10.329 -0.551 -4.910 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.426 1.029 -4.649 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.380 1.425 -6.098 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.826 0.574 -6.261 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.231 -1.364 -3.894 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.613 -1.800 -5.505 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.024 -2.651 -4.832 1.00 0.15 H new ATOM 1083 N LYS A 72 10.543 0.675 -8.410 1.00 0.15 N ATOM 1084 CA LYS A 72 11.532 1.610 -9.014 1.00 0.16 C ATOM 1085 C LYS A 72 11.328 3.037 -8.477 1.00 0.15 C ATOM 1086 O LYS A 72 12.167 3.897 -8.662 1.00 0.16 O ATOM 1087 CB LYS A 72 11.336 1.587 -10.532 1.00 0.19 C ATOM 1088 CG LYS A 72 11.559 0.158 -11.072 1.00 0.23 C ATOM 1089 CD LYS A 72 13.056 -0.148 -11.194 1.00 0.74 C ATOM 1090 CE LYS A 72 13.233 -1.521 -11.845 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.680 -1.875 -11.872 1.00 1.60 N ATOM 0 H LYS A 72 9.596 0.751 -8.782 1.00 0.15 H new ATOM 0 HA LYS A 72 12.544 1.299 -8.755 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.331 1.926 -10.782 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.033 2.277 -11.007 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.088 -0.565 -10.406 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.081 0.053 -12.046 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.549 0.618 -11.792 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.524 -0.135 -10.210 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.674 -2.274 -11.289 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.832 -1.509 -12.858 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.801 -2.808 -12.315 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.202 -1.162 -12.420 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.049 -1.902 -10.900 1.00 1.60 H new ATOM 1105 N ALA A 73 10.232 3.309 -7.811 1.00 0.13 N ATOM 1106 CA ALA A 73 10.024 4.692 -7.277 1.00 0.13 C ATOM 1107 C ALA A 73 8.933 4.702 -6.196 1.00 0.11 C ATOM 1108 O ALA A 73 8.043 3.882 -6.196 1.00 0.12 O ATOM 1109 CB ALA A 73 9.628 5.626 -8.422 1.00 0.14 C ATOM 0 H ALA A 73 9.483 2.645 -7.616 1.00 0.13 H new ATOM 0 HA ALA A 73 10.955 5.036 -6.827 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.476 6.633 -8.034 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.421 5.641 -9.170 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.704 5.270 -8.879 1.00 0.14 H new ATOM 1115 N THR A 74 8.995 5.651 -5.285 1.00 0.11 N ATOM 1116 CA THR A 74 7.965 5.760 -4.198 1.00 0.11 C ATOM 1117 C THR A 74 7.372 7.176 -4.245 1.00 0.12 C ATOM 1118 O THR A 74 8.040 8.091 -4.672 1.00 0.15 O ATOM 1119 CB THR A 74 8.662 5.564 -2.839 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.478 6.692 -2.568 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.524 4.311 -2.870 1.00 0.14 C ATOM 0 H THR A 74 9.725 6.362 -5.250 1.00 0.11 H new ATOM 0 HA THR A 74 7.184 5.011 -4.331 1.00 0.11 H new ATOM 0 HB THR A 74 7.907 5.456 -2.060 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.923 6.574 -1.703 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.013 4.181 -1.904 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.898 3.444 -3.079 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.280 4.409 -3.649 1.00 0.14 H new ATOM 1129 N PRO A 75 6.164 7.394 -3.768 1.00 0.13 N ATOM 1130 CA PRO A 75 5.279 6.322 -3.224 1.00 0.10 C ATOM 1131 C PRO A 75 4.636 5.478 -4.325 1.00 0.09 C ATOM 1132 O PRO A 75 4.237 5.981 -5.359 1.00 0.10 O ATOM 1133 CB PRO A 75 4.223 7.140 -2.460 1.00 0.12 C ATOM 1134 CG PRO A 75 4.259 8.574 -3.015 1.00 0.15 C ATOM 1135 CD PRO A 75 5.602 8.771 -3.741 1.00 0.16 C ATOM 0 HA PRO A 75 5.814 5.596 -2.612 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.233 6.704 -2.589 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.435 7.137 -1.391 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.428 8.738 -3.701 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.153 9.298 -2.207 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.464 9.172 -4.745 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.253 9.464 -3.208 1.00 0.16 H new ATOM 1143 N THR A 76 4.497 4.203 -4.081 1.00 0.09 N ATOM 1144 CA THR A 76 3.847 3.296 -5.075 1.00 0.09 C ATOM 1145 C THR A 76 2.760 2.492 -4.379 1.00 0.10 C ATOM 1146 O THR A 76 2.941 1.991 -3.286 1.00 0.12 O ATOM 1147 CB THR A 76 4.874 2.339 -5.676 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.887 3.087 -6.323 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.189 1.415 -6.688 1.00 0.13 C ATOM 0 H THR A 76 4.809 3.744 -3.225 1.00 0.09 H new ATOM 0 HA THR A 76 3.416 3.898 -5.875 1.00 0.09 H new ATOM 0 HB THR A 76 5.316 1.735 -4.884 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.740 2.953 -5.858 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.925 0.734 -7.115 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.410 0.840 -6.187 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.744 2.013 -7.483 1.00 0.13 H new ATOM 1157 N PHE A 77 1.630 2.375 -5.009 1.00 0.10 N ATOM 1158 CA PHE A 77 0.495 1.606 -4.418 1.00 0.10 C ATOM 1159 C PHE A 77 0.266 0.350 -5.252 1.00 0.10 C ATOM 1160 O PHE A 77 0.137 0.415 -6.459 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.760 2.477 -4.447 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.506 3.710 -3.619 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.772 3.696 -2.246 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.008 4.862 -4.224 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.524 4.836 -1.473 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.255 6.007 -3.453 1.00 0.16 C ATOM 1167 CZ PHE A 77 -0.010 5.993 -2.075 1.00 0.19 C ATOM 0 H PHE A 77 1.437 2.784 -5.923 1.00 0.10 H new ATOM 0 HA PHE A 77 0.721 1.326 -3.389 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.006 2.753 -5.472 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.613 1.925 -4.053 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.169 2.805 -1.782 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.214 4.869 -5.284 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.729 4.824 -0.413 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.649 6.898 -3.919 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.182 6.873 -1.479 1.00 0.19 H new ATOM 1177 N GLN A 78 0.192 -0.794 -4.616 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.044 -2.067 -5.367 1.00 0.09 C ATOM 1179 C GLN A 78 -1.313 -2.699 -4.824 1.00 0.08 C ATOM 1180 O GLN A 78 -1.560 -2.702 -3.635 1.00 0.09 O ATOM 1181 CB GLN A 78 1.144 -3.014 -5.170 1.00 0.09 C ATOM 1182 CG GLN A 78 2.400 -2.383 -5.787 1.00 0.12 C ATOM 1183 CD GLN A 78 3.495 -3.442 -5.948 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.386 -4.530 -5.419 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.558 -3.161 -6.653 1.00 0.29 N ATOM 0 H GLN A 78 0.285 -0.901 -3.606 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.149 -1.868 -6.434 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.302 -3.203 -4.108 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.939 -3.977 -5.638 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.159 -1.947 -6.757 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.758 -1.572 -5.153 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.649 -2.247 -7.097 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.297 -3.855 -6.760 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.136 -3.206 -5.695 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.427 -3.814 -5.253 1.00 0.07 C ATOM 1196 C PHE A 79 -3.368 -5.330 -5.328 1.00 0.07 C ATOM 1197 O PHE A 79 -2.929 -5.897 -6.307 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.535 -3.297 -6.163 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.692 -1.821 -5.909 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.830 -0.912 -6.530 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.679 -1.365 -5.032 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.958 0.457 -6.278 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.806 0.003 -4.775 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.946 0.915 -5.398 1.00 0.12 C ATOM 0 H PHE A 79 -1.972 -3.227 -6.702 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.621 -3.537 -4.217 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.286 -3.480 -7.208 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.470 -3.820 -5.961 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.065 -1.268 -7.204 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.343 -2.069 -4.553 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.296 1.160 -6.761 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.568 0.356 -4.096 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.045 1.972 -5.200 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.837 -5.985 -4.296 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.851 -7.476 -4.271 1.00 0.08 C ATOM 1216 C PHE A 80 -5.251 -7.967 -3.922 1.00 0.09 C ATOM 1217 O PHE A 80 -5.985 -7.327 -3.194 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.860 -7.997 -3.224 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.444 -7.745 -3.681 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.794 -6.544 -3.362 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.773 -8.733 -4.415 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.526 -6.336 -3.782 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.546 -8.522 -4.831 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.196 -7.323 -4.514 1.00 0.15 C ATOM 0 H PHE A 80 -4.216 -5.542 -3.459 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.562 -7.847 -5.254 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -3.035 -7.503 -2.268 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.015 -9.064 -3.065 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.309 -5.783 -2.795 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.275 -9.658 -4.660 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.028 -5.411 -3.540 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.063 -9.284 -5.396 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.214 -7.160 -4.834 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.621 -9.108 -4.431 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.966 -9.665 -4.131 1.00 0.12 C ATOM 1236 C LYS A 81 -6.864 -11.194 -4.197 1.00 0.11 C ATOM 1237 O LYS A 81 -6.396 -11.747 -5.170 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.954 -9.140 -5.177 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.385 -9.329 -4.684 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.356 -8.909 -5.786 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.766 -8.820 -5.209 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.207 -10.178 -4.783 1.00 1.68 N ATOM 0 H LYS A 81 -5.044 -9.682 -5.046 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.314 -9.367 -3.142 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.764 -8.084 -5.371 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.813 -9.668 -6.120 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.554 -10.371 -4.412 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.555 -8.734 -3.787 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -10.059 -7.946 -6.201 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.330 -9.630 -6.603 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.782 -8.136 -4.360 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -12.452 -8.419 -5.955 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.917 -10.092 -4.028 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.624 -10.678 -5.594 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -11.389 -10.714 -4.429 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.265 -11.869 -3.153 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.175 -13.367 -3.122 1.00 0.13 C ATOM 1258 C LYS A 82 -5.705 -13.782 -3.284 1.00 0.13 C ATOM 1259 O LYS A 82 -5.406 -14.847 -3.786 1.00 0.17 O ATOM 1260 CB LYS A 82 -8.016 -14.014 -4.239 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.504 -13.712 -4.029 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.338 -14.630 -4.934 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.811 -14.208 -4.896 1.00 0.31 C ATOM 1264 NZ LYS A 82 -11.961 -12.847 -5.481 1.00 1.22 N ATOM 0 H LYS A 82 -7.655 -11.447 -2.310 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.569 -13.713 -2.166 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.695 -13.637 -5.210 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.855 -15.092 -4.247 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.775 -13.867 -2.985 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.712 -12.667 -4.260 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.964 -14.583 -5.957 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.239 -15.665 -4.606 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.418 -14.922 -5.453 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -12.174 -14.214 -3.868 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -12.764 -12.363 -5.032 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.091 -12.301 -5.317 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.132 -12.926 -6.504 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.783 -12.954 -2.867 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.341 -13.306 -3.006 1.00 0.16 C ATOM 1280 C GLY A 83 -2.880 -13.077 -4.447 1.00 0.16 C ATOM 1281 O GLY A 83 -1.892 -13.640 -4.881 1.00 0.23 O ATOM 0 H GLY A 83 -4.968 -12.048 -2.436 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.744 -12.701 -2.324 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.185 -14.348 -2.727 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.582 -12.254 -5.195 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.186 -11.990 -6.616 1.00 0.15 C ATOM 1287 C GLN A 84 -3.118 -10.486 -6.885 1.00 0.12 C ATOM 1288 O GLN A 84 -3.951 -9.731 -6.442 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.218 -12.622 -7.549 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.145 -14.142 -7.412 1.00 0.33 C ATOM 1291 CD GLN A 84 -5.082 -14.794 -8.426 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.773 -15.834 -8.973 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -6.223 -14.223 -8.702 1.00 2.07 N ATOM 0 H GLN A 84 -4.413 -11.754 -4.880 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.202 -12.423 -6.794 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.218 -12.269 -7.299 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.024 -12.327 -8.580 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.123 -14.483 -7.575 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.423 -14.440 -6.401 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -6.481 -13.350 -8.242 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.857 -14.650 -9.378 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.137 -10.058 -7.636 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.991 -8.604 -7.959 1.00 0.12 C ATOM 1304 C LYS A 85 -2.994 -8.232 -9.049 1.00 0.14 C ATOM 1305 O LYS A 85 -3.085 -8.887 -10.071 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.561 -8.371 -8.466 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.312 -6.883 -8.717 1.00 0.20 C ATOM 1308 CD LYS A 85 1.062 -6.707 -9.374 1.00 0.28 C ATOM 1309 CE LYS A 85 1.426 -5.219 -9.416 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.748 -5.040 -10.086 1.00 1.82 N ATOM 0 H LYS A 85 -1.422 -10.660 -8.045 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.180 -7.991 -7.078 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.155 -8.746 -7.735 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.400 -8.932 -9.387 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.091 -6.475 -9.361 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.353 -6.331 -7.778 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.817 -7.261 -8.815 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.048 -7.117 -10.384 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.658 -4.662 -9.953 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.463 -4.816 -8.404 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.990 -4.029 -10.112 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.478 -5.557 -9.557 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 2.698 -5.409 -11.057 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.758 -7.189 -8.829 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.777 -6.756 -9.833 1.00 0.18 C ATOM 1326 C VAL A 86 -4.537 -5.300 -10.243 1.00 0.17 C ATOM 1327 O VAL A 86 -5.341 -4.716 -10.941 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.173 -6.881 -9.214 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.549 -8.357 -9.045 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.169 -6.204 -7.842 1.00 0.26 C ATOM 0 H VAL A 86 -3.717 -6.614 -7.987 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.698 -7.389 -10.716 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.900 -6.403 -9.870 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.543 -8.431 -8.604 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.546 -8.847 -10.019 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.825 -8.844 -8.392 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.158 -6.287 -7.392 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.436 -6.690 -7.198 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.910 -5.151 -7.956 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.450 -4.695 -9.831 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.224 -3.275 -10.246 1.00 0.17 C ATOM 1342 C GLY A 87 -2.050 -2.636 -9.496 1.00 0.12 C ATOM 1343 O GLY A 87 -1.660 -3.068 -8.431 1.00 0.17 O ATOM 0 H GLY A 87 -2.727 -5.108 -9.242 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.032 -3.237 -11.318 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.129 -2.696 -10.063 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.503 -1.589 -10.063 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.363 -0.867 -9.424 1.00 0.13 C ATOM 1349 C GLU A 88 -0.187 0.504 -10.074 1.00 0.11 C ATOM 1350 O GLU A 88 -0.431 0.681 -11.252 1.00 0.14 O ATOM 1351 CB GLU A 88 0.930 -1.689 -9.577 1.00 0.21 C ATOM 1352 CG GLU A 88 2.155 -0.858 -9.151 1.00 0.58 C ATOM 1353 CD GLU A 88 2.605 0.056 -10.299 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.017 -0.021 -11.366 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.535 0.818 -10.089 1.00 1.87 O ATOM 0 H GLU A 88 -1.804 -1.199 -10.956 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.576 -0.734 -8.363 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.867 -2.592 -8.969 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.043 -2.009 -10.613 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.909 -0.258 -8.275 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.971 -1.521 -8.864 1.00 0.58 H new ATOM 1362 N PHE A 89 0.282 1.466 -9.324 1.00 0.10 N ATOM 1363 CA PHE A 89 0.527 2.819 -9.912 1.00 0.09 C ATOM 1364 C PHE A 89 1.427 3.635 -8.986 1.00 0.10 C ATOM 1365 O PHE A 89 1.561 3.350 -7.811 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.794 3.565 -10.154 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.360 4.133 -8.866 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.834 5.316 -8.327 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.423 3.487 -8.224 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.375 5.855 -7.149 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.960 4.021 -7.044 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.439 5.207 -6.507 1.00 0.14 C ATOM 0 H PHE A 89 0.506 1.376 -8.333 1.00 0.10 H new ATOM 0 HA PHE A 89 1.023 2.688 -10.874 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.631 4.373 -10.867 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.519 2.886 -10.602 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.011 5.813 -8.819 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.830 2.576 -8.638 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.971 6.768 -6.738 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.777 3.518 -6.548 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.857 5.620 -5.601 1.00 0.14 H new ATOM 1382 N SER A 90 2.053 4.642 -9.530 1.00 0.10 N ATOM 1383 CA SER A 90 2.974 5.508 -8.737 1.00 0.10 C ATOM 1384 C SER A 90 2.575 6.964 -8.876 1.00 0.09 C ATOM 1385 O SER A 90 1.877 7.354 -9.793 1.00 0.11 O ATOM 1386 CB SER A 90 4.399 5.353 -9.249 1.00 0.11 C ATOM 1387 OG SER A 90 4.450 5.741 -10.616 1.00 0.12 O ATOM 0 H SER A 90 1.964 4.907 -10.511 1.00 0.10 H new ATOM 0 HA SER A 90 2.913 5.205 -7.692 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.079 5.967 -8.659 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.727 4.319 -9.140 1.00 0.11 H new ATOM 0 HG SER A 90 5.366 5.644 -10.949 1.00 0.12 H new ATOM 1393 N GLY A 91 3.021 7.769 -7.957 1.00 0.09 N ATOM 1394 CA GLY A 91 2.701 9.225 -7.985 1.00 0.09 C ATOM 1395 C GLY A 91 2.052 9.606 -6.663 1.00 0.10 C ATOM 1396 O GLY A 91 1.268 8.862 -6.110 1.00 0.12 O ATOM 0 H GLY A 91 3.604 7.477 -7.173 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.608 9.808 -8.143 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.030 9.449 -8.814 1.00 0.09 H new ATOM 1400 N ALA A 92 2.377 10.750 -6.140 1.00 0.11 N ATOM 1401 CA ALA A 92 1.779 11.157 -4.842 1.00 0.14 C ATOM 1402 C ALA A 92 0.360 11.691 -5.058 1.00 0.13 C ATOM 1403 O ALA A 92 0.070 12.833 -4.762 1.00 0.17 O ATOM 1404 CB ALA A 92 2.653 12.249 -4.227 1.00 0.18 C ATOM 0 H ALA A 92 3.028 11.419 -6.552 1.00 0.11 H new ATOM 0 HA ALA A 92 1.727 10.297 -4.175 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.229 12.560 -3.272 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.660 11.863 -4.068 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.695 13.104 -4.901 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.536 10.858 -5.540 1.00 0.12 N ATOM 1411 CA ASN A 93 -1.956 11.292 -5.746 1.00 0.14 C ATOM 1412 C ASN A 93 -2.844 10.436 -4.844 1.00 0.13 C ATOM 1413 O ASN A 93 -3.124 9.288 -5.130 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.355 11.096 -7.208 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.767 11.646 -7.421 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.736 11.050 -7.008 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.925 12.775 -8.045 1.00 0.75 N ATOM 0 H ASN A 93 -0.342 9.891 -5.801 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.069 12.348 -5.499 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.649 11.608 -7.862 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.320 10.038 -7.468 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.862 13.154 -8.184 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.112 13.282 -8.395 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.266 10.984 -3.742 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.116 10.217 -2.787 1.00 0.15 C ATOM 1426 C LYS A 94 -5.514 9.951 -3.358 1.00 0.15 C ATOM 1427 O LYS A 94 -6.128 8.950 -3.061 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.245 11.035 -1.504 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.708 12.484 -1.831 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.546 13.476 -1.690 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.099 14.896 -1.675 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.971 15.863 -1.600 1.00 1.06 N ATOM 0 H LYS A 94 -3.057 11.941 -3.457 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.647 9.252 -2.597 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.960 10.560 -0.833 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.288 11.061 -0.983 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.103 12.523 -2.846 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.519 12.771 -1.162 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -2.993 13.279 -0.772 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.846 13.354 -2.516 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.690 15.078 -2.573 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.765 15.030 -0.823 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.346 16.833 -1.590 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.425 15.693 -0.731 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.352 15.740 -2.427 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.027 10.829 -4.168 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.387 10.610 -4.731 1.00 0.15 C ATOM 1448 C GLU A 95 -7.363 9.409 -5.671 1.00 0.15 C ATOM 1449 O GLU A 95 -8.347 8.719 -5.854 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.816 11.851 -5.505 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.841 13.047 -4.558 1.00 0.19 C ATOM 1452 CD GLU A 95 -8.430 14.259 -5.281 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -8.643 14.165 -6.477 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -8.659 15.261 -4.625 1.00 1.61 O ATOM 0 H GLU A 95 -5.565 11.689 -4.465 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.091 10.421 -3.921 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.126 12.038 -6.328 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.802 11.698 -5.944 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -8.436 12.813 -3.675 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -6.832 13.272 -4.212 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.246 9.173 -6.282 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.130 8.037 -7.229 1.00 0.15 C ATOM 1463 C LYS A 96 -6.425 6.750 -6.472 1.00 0.14 C ATOM 1464 O LYS A 96 -7.002 5.818 -6.998 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.708 8.028 -7.774 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.579 7.070 -8.965 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.308 7.426 -9.751 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.209 6.558 -11.007 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.083 7.049 -11.852 1.00 1.45 N ATOM 0 H LYS A 96 -5.396 9.725 -6.166 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.834 8.128 -8.056 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.427 9.035 -8.081 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.015 7.730 -6.987 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.531 6.038 -8.616 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.455 7.148 -9.609 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.325 8.480 -10.028 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.429 7.275 -9.125 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.046 5.516 -10.732 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.144 6.598 -11.566 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.010 6.463 -12.708 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.258 8.038 -12.123 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.194 6.989 -11.315 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.047 6.704 -5.226 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.318 5.491 -4.412 1.00 0.13 C ATOM 1485 C LEU A 97 -7.822 5.263 -4.366 1.00 0.14 C ATOM 1486 O LEU A 97 -8.305 4.150 -4.417 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.851 5.725 -2.966 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.329 5.651 -2.856 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.915 6.205 -1.483 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.845 4.182 -3.009 1.00 0.19 C ATOM 0 H LEU A 97 -5.561 7.456 -4.737 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.797 4.641 -4.851 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.196 6.701 -2.624 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.302 4.980 -2.311 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.872 6.241 -3.651 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.830 6.161 -1.385 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.246 7.240 -1.393 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.375 5.608 -0.696 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.759 4.147 -2.928 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.287 3.569 -2.223 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.149 3.798 -3.983 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.560 6.321 -4.239 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.040 6.187 -4.141 1.00 0.15 C ATOM 1504 C GLU A 98 -10.619 5.584 -5.420 1.00 0.16 C ATOM 1505 O GLU A 98 -11.504 4.752 -5.376 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.657 7.570 -3.893 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.177 7.440 -3.722 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.796 8.825 -3.531 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.049 9.790 -3.501 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.009 8.898 -3.415 1.00 2.00 O ATOM 0 H GLU A 98 -8.206 7.277 -4.198 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.278 5.520 -3.312 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.219 8.019 -3.002 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.431 8.234 -4.728 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.611 6.955 -4.597 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.403 6.809 -2.863 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.152 6.010 -6.555 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.710 5.478 -7.834 1.00 0.17 C ATOM 1519 C ALA A 99 -10.350 4.005 -8.026 1.00 0.16 C ATOM 1520 O ALA A 99 -11.171 3.207 -8.434 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.166 6.297 -9.007 1.00 0.19 C ATOM 0 H ALA A 99 -9.410 6.702 -6.658 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.796 5.560 -7.794 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.573 5.909 -9.941 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.459 7.340 -8.889 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.079 6.225 -9.027 1.00 0.19 H new ATOM 1527 N THR A 100 -9.136 3.630 -7.757 1.00 0.16 N ATOM 1528 CA THR A 100 -8.757 2.206 -7.955 1.00 0.16 C ATOM 1529 C THR A 100 -9.525 1.320 -6.967 1.00 0.15 C ATOM 1530 O THR A 100 -9.976 0.245 -7.310 1.00 0.15 O ATOM 1531 CB THR A 100 -7.250 2.040 -7.763 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.567 3.002 -8.554 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.845 0.636 -8.210 1.00 0.20 C ATOM 0 H THR A 100 -8.395 4.240 -7.412 1.00 0.16 H new ATOM 0 HA THR A 100 -9.016 1.901 -8.969 1.00 0.16 H new ATOM 0 HB THR A 100 -6.991 2.183 -6.714 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.561 3.864 -8.088 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.771 0.507 -8.077 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.376 -0.104 -7.611 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.099 0.501 -9.261 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.696 1.764 -5.751 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.456 0.944 -4.756 1.00 0.13 C ATOM 1543 C ILE A 101 -11.875 0.754 -5.270 1.00 0.14 C ATOM 1544 O ILE A 101 -12.396 -0.339 -5.290 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.476 1.668 -3.404 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.072 1.622 -2.785 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.475 0.991 -2.455 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.948 2.687 -1.695 1.00 0.16 C ATOM 0 H ILE A 101 -9.345 2.656 -5.402 1.00 0.14 H new ATOM 0 HA ILE A 101 -9.980 -0.028 -4.624 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.780 2.703 -3.558 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.883 0.635 -2.364 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.320 1.789 -3.556 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.480 1.514 -1.499 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.473 1.025 -2.892 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.182 -0.047 -2.299 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.949 2.648 -1.260 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.117 3.673 -2.128 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.689 2.500 -0.918 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.493 1.814 -5.704 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.873 1.713 -6.248 1.00 0.20 C ATOM 1562 C ASN A 102 -13.862 0.781 -7.453 1.00 0.19 C ATOM 1563 O ASN A 102 -14.802 0.057 -7.711 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.340 3.097 -6.701 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.758 2.996 -7.256 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -15.982 2.362 -8.268 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.730 3.605 -6.639 1.00 0.55 N ATOM 0 H ASN A 102 -12.098 2.754 -5.705 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.544 1.328 -5.480 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.314 3.794 -5.863 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.666 3.489 -7.463 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.680 3.550 -7.005 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.541 4.137 -5.789 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.807 0.825 -8.207 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.708 -0.019 -9.423 1.00 0.18 C ATOM 1576 C GLU A 103 -12.623 -1.498 -9.026 1.00 0.16 C ATOM 1577 O GLU A 103 -13.196 -2.353 -9.673 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.437 0.382 -10.178 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.438 -0.233 -11.584 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.219 -1.746 -11.493 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.178 -2.144 -10.999 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -12.097 -2.478 -11.917 1.00 2.21 O ATOM 0 H GLU A 103 -11.997 1.419 -8.030 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.587 0.124 -10.052 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.375 1.468 -10.248 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.558 0.047 -9.628 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.385 -0.023 -12.081 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.653 0.221 -12.189 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.895 -1.810 -7.980 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.752 -3.240 -7.551 1.00 0.14 C ATOM 1591 C LEU A 104 -12.700 -3.564 -6.384 1.00 0.13 C ATOM 1592 O LEU A 104 -12.749 -4.686 -5.923 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.313 -3.492 -7.090 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.324 -3.277 -8.243 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.904 -3.250 -7.676 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.440 -4.415 -9.275 1.00 0.25 C ATOM 0 H LEU A 104 -11.392 -1.135 -7.403 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.002 -3.875 -8.401 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.068 -2.822 -6.266 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.221 -4.510 -6.711 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.553 -2.334 -8.739 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.191 -3.098 -8.487 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.815 -2.436 -6.957 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.692 -4.197 -7.180 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.731 -4.245 -10.085 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.219 -5.367 -8.793 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.452 -4.439 -9.678 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.440 -2.609 -5.886 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.354 -2.918 -4.740 1.00 0.15 C ATOM 1610 C VAL A 105 -15.404 -3.933 -5.199 1.00 0.16 C ATOM 1611 O VAL A 105 -15.626 -4.892 -4.479 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.052 -1.633 -4.245 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.156 -1.202 -5.228 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.668 -1.887 -2.864 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.958 -3.741 -6.269 1.00 1.08 O ATOM 0 H VAL A 105 -13.455 -1.643 -6.214 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.771 -3.333 -3.918 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.312 -0.836 -4.180 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.636 -0.295 -4.861 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.717 -1.010 -6.207 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.898 -1.996 -5.313 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.161 -0.980 -2.513 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.398 -2.693 -2.934 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.883 -2.168 -2.162 1.00 0.19 H new TER 1625 VAL A 105 ATOM 1626 N PRO B 59 14.184 18.532 -13.195 1.00 1.11 N ATOM 1627 CA PRO B 59 14.157 17.051 -13.404 1.00 1.14 C ATOM 1628 C PRO B 59 13.811 16.302 -12.112 1.00 1.00 C ATOM 1629 O PRO B 59 13.384 15.164 -12.133 1.00 1.04 O ATOM 1630 CB PRO B 59 15.589 16.716 -13.872 1.00 1.33 C ATOM 1631 CG PRO B 59 16.429 17.872 -13.422 1.00 1.46 C ATOM 1632 CD PRO B 59 15.516 19.094 -13.457 1.00 1.26 C ATOM 0 HA PRO B 59 13.395 16.750 -14.123 1.00 1.14 H new ATOM 0 HB2 PRO B 59 15.938 15.781 -13.434 1.00 1.33 H new ATOM 0 HB3 PRO B 59 15.632 16.596 -14.955 1.00 1.33 H new ATOM 0 HG2 PRO B 59 16.818 17.704 -12.418 1.00 1.46 H new ATOM 0 HG3 PRO B 59 17.289 18.008 -14.078 1.00 1.46 H new ATOM 0 HD2 PRO B 59 15.798 19.828 -12.702 1.00 1.26 H new ATOM 0 HD3 PRO B 59 15.556 19.598 -14.423 1.00 1.26 H new ATOM 1640 N ALA B 60 13.997 16.937 -10.989 1.00 0.88 N ATOM 1641 CA ALA B 60 13.684 16.282 -9.687 1.00 0.76 C ATOM 1642 C ALA B 60 12.228 16.579 -9.317 1.00 0.61 C ATOM 1643 O ALA B 60 11.816 17.721 -9.265 1.00 0.61 O ATOM 1644 CB ALA B 60 14.619 16.845 -8.615 1.00 0.78 C ATOM 0 H ALA B 60 14.355 17.889 -10.916 1.00 0.88 H new ATOM 0 HA ALA B 60 13.824 15.204 -9.761 1.00 0.76 H new ATOM 0 HB1 ALA B 60 14.400 16.373 -7.657 1.00 0.78 H new ATOM 0 HB2 ALA B 60 15.654 16.642 -8.891 1.00 0.78 H new ATOM 0 HB3 ALA B 60 14.471 17.922 -8.532 1.00 0.78 H new ATOM 1650 N THR B 61 11.441 15.558 -9.072 1.00 0.54 N ATOM 1651 CA THR B 61 9.997 15.769 -8.720 1.00 0.44 C ATOM 1652 C THR B 61 9.770 15.429 -7.240 1.00 0.34 C ATOM 1653 O THR B 61 10.107 14.357 -6.778 1.00 0.32 O ATOM 1654 CB THR B 61 9.142 14.844 -9.598 1.00 0.51 C ATOM 1655 OG1 THR B 61 9.509 15.027 -10.958 1.00 0.70 O ATOM 1656 CG2 THR B 61 7.655 15.175 -9.432 1.00 0.47 C ATOM 0 H THR B 61 11.737 14.582 -9.100 1.00 0.54 H new ATOM 0 HA THR B 61 9.720 16.809 -8.890 1.00 0.44 H new ATOM 0 HB THR B 61 9.311 13.811 -9.296 1.00 0.51 H new ATOM 0 HG1 THR B 61 8.968 14.438 -11.525 1.00 0.70 H new ATOM 0 HG21 THR B 61 7.062 14.511 -10.061 1.00 0.47 H new ATOM 0 HG22 THR B 61 7.367 15.041 -8.389 1.00 0.47 H new ATOM 0 HG23 THR B 61 7.477 16.209 -9.728 1.00 0.47 H new ATOM 1664 N LEU B 62 9.194 16.338 -6.501 1.00 0.34 N ATOM 1665 CA LEU B 62 8.925 16.087 -5.055 1.00 0.32 C ATOM 1666 C LEU B 62 7.808 15.051 -4.904 1.00 0.23 C ATOM 1667 O LEU B 62 7.703 14.373 -3.901 1.00 0.25 O ATOM 1668 CB LEU B 62 8.483 17.391 -4.384 1.00 0.40 C ATOM 1669 CG LEU B 62 9.667 18.363 -4.269 1.00 0.50 C ATOM 1670 CD1 LEU B 62 9.153 19.706 -3.737 1.00 0.61 C ATOM 1671 CD2 LEU B 62 10.739 17.796 -3.310 1.00 0.55 C ATOM 0 H LEU B 62 8.895 17.252 -6.840 1.00 0.34 H new ATOM 0 HA LEU B 62 9.835 15.714 -4.585 1.00 0.32 H new ATOM 0 HB2 LEU B 62 7.682 17.851 -4.962 1.00 0.40 H new ATOM 0 HB3 LEU B 62 8.081 17.179 -3.393 1.00 0.40 H new ATOM 0 HG LEU B 62 10.121 18.499 -5.251 1.00 0.50 H new ATOM 0 HD11 LEU B 62 9.985 20.405 -3.651 1.00 0.61 H new ATOM 0 HD12 LEU B 62 8.410 20.109 -4.425 1.00 0.61 H new ATOM 0 HD13 LEU B 62 8.699 19.559 -2.757 1.00 0.61 H new ATOM 0 HD21 LEU B 62 11.571 18.496 -3.239 1.00 0.55 H new ATOM 0 HD22 LEU B 62 10.303 17.650 -2.322 1.00 0.55 H new ATOM 0 HD23 LEU B 62 11.100 16.841 -3.692 1.00 0.55 H new ATOM 1683 N LYS B 63 6.954 14.953 -5.883 1.00 0.19 N ATOM 1684 CA LYS B 63 5.820 13.990 -5.803 1.00 0.14 C ATOM 1685 C LYS B 63 6.372 12.557 -5.783 1.00 0.12 C ATOM 1686 O LYS B 63 5.676 11.623 -5.433 1.00 0.12 O ATOM 1687 CB LYS B 63 4.930 14.161 -7.040 1.00 0.17 C ATOM 1688 CG LYS B 63 4.394 15.602 -7.138 1.00 0.20 C ATOM 1689 CD LYS B 63 3.628 15.997 -5.867 1.00 0.40 C ATOM 1690 CE LYS B 63 2.688 17.168 -6.177 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.590 16.698 -7.072 1.00 1.31 N ATOM 0 H LYS B 63 6.993 15.502 -6.742 1.00 0.19 H new ATOM 0 HA LYS B 63 5.243 14.177 -4.898 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.498 13.919 -7.938 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.096 13.461 -6.992 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.224 16.291 -7.295 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.738 15.691 -8.004 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.056 15.147 -5.496 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.328 16.278 -5.080 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.272 17.570 -5.253 1.00 0.35 H new ATOM 0 HE3 LYS B 63 3.241 17.976 -6.655 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.731 17.256 -6.891 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.877 16.816 -8.065 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.396 15.694 -6.885 1.00 1.31 H new ATOM 1705 N ILE B 64 7.612 12.384 -6.191 1.00 0.11 N ATOM 1706 CA ILE B 64 8.247 11.016 -6.226 1.00 0.11 C ATOM 1707 C ILE B 64 9.611 11.054 -5.507 1.00 0.10 C ATOM 1708 O ILE B 64 10.368 11.993 -5.659 1.00 0.11 O ATOM 1709 CB ILE B 64 8.485 10.606 -7.692 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.145 10.408 -8.419 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.296 9.308 -7.757 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.293 9.333 -7.721 1.00 0.15 C ATOM 0 H ILE B 64 8.220 13.140 -6.505 1.00 0.11 H new ATOM 0 HA ILE B 64 7.586 10.304 -5.732 1.00 0.11 H new ATOM 0 HB ILE B 64 9.043 11.404 -8.182 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.598 11.351 -8.445 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.328 10.117 -9.454 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.456 9.031 -8.799 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.259 9.456 -7.269 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.750 8.512 -7.250 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.350 9.212 -8.255 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.833 8.386 -7.719 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.092 9.638 -6.694 1.00 0.15 H new ATOM 1724 N CYS B 65 9.943 10.030 -4.744 1.00 0.09 N ATOM 1725 CA CYS B 65 11.277 9.993 -4.054 1.00 0.10 C ATOM 1726 C CYS B 65 12.194 9.057 -4.858 1.00 0.10 C ATOM 1727 O CYS B 65 11.802 7.968 -5.224 1.00 0.11 O ATOM 1728 CB CYS B 65 11.147 9.456 -2.612 1.00 0.10 C ATOM 1729 SG CYS B 65 9.677 10.135 -1.799 1.00 0.19 S ATOM 0 H CYS B 65 9.347 9.221 -4.571 1.00 0.09 H new ATOM 0 HA CYS B 65 11.684 11.003 -4.001 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.088 8.368 -2.629 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.037 9.718 -2.040 1.00 0.10 H new ATOM 1734 N SER B 66 13.399 9.467 -5.154 1.00 0.12 N ATOM 1735 CA SER B 66 14.309 8.583 -5.955 1.00 0.14 C ATOM 1736 C SER B 66 14.983 7.538 -5.063 1.00 0.14 C ATOM 1737 O SER B 66 15.382 7.820 -3.954 1.00 0.15 O ATOM 1738 CB SER B 66 15.397 9.430 -6.620 1.00 0.18 C ATOM 1739 OG SER B 66 14.794 10.364 -7.503 1.00 0.20 O ATOM 0 H SER B 66 13.794 10.367 -4.881 1.00 0.12 H new ATOM 0 HA SER B 66 13.707 8.075 -6.709 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.980 9.953 -5.862 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.088 8.789 -7.167 1.00 0.18 H new ATOM 0 HG SER B 66 15.489 10.908 -7.928 1.00 0.20 H new ATOM 1745 N TRP B 67 15.138 6.332 -5.557 1.00 0.15 N ATOM 1746 CA TRP B 67 15.816 5.270 -4.754 1.00 0.16 C ATOM 1747 C TRP B 67 17.319 5.522 -4.771 1.00 0.19 C ATOM 1748 O TRP B 67 18.067 4.948 -4.005 1.00 0.21 O ATOM 1749 CB TRP B 67 15.527 3.890 -5.358 1.00 0.16 C ATOM 1750 CG TRP B 67 14.095 3.550 -5.124 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.051 4.274 -5.564 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.535 2.423 -4.394 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.882 3.666 -5.149 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.133 2.525 -4.418 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.105 1.333 -3.718 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.327 1.584 -3.789 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.296 0.382 -3.087 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.909 0.511 -3.120 1.00 0.16 C ATOM 0 H TRP B 67 14.823 6.039 -6.482 1.00 0.15 H new ATOM 0 HA TRP B 67 15.442 5.296 -3.730 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.744 3.893 -6.426 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.172 3.138 -4.904 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.116 5.181 -6.146 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.948 4.018 -5.358 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.179 1.227 -3.685 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.252 1.685 -3.819 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.747 -0.454 -2.573 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.286 -0.221 -2.627 1.00 0.16 H new ATOM 1769 N ASN B 68 17.768 6.392 -5.631 1.00 0.23 N ATOM 1770 CA ASN B 68 19.221 6.690 -5.693 1.00 0.27 C ATOM 1771 C ASN B 68 19.695 7.067 -4.291 1.00 0.26 C ATOM 1772 O ASN B 68 20.877 7.159 -4.028 1.00 0.30 O ATOM 1773 CB ASN B 68 19.460 7.866 -6.643 1.00 0.34 C ATOM 1774 CG ASN B 68 19.132 7.434 -8.075 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.295 8.198 -9.004 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.686 6.228 -8.291 1.00 0.40 N ATOM 0 H ASN B 68 17.189 6.909 -6.293 1.00 0.23 H new ATOM 0 HA ASN B 68 19.768 5.820 -6.055 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.838 8.713 -6.355 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.497 8.195 -6.579 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.474 5.925 -9.242 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.550 5.587 -7.509 1.00 0.40 H new ATOM 1783 N VAL B 69 18.776 7.288 -3.386 1.00 0.26 N ATOM 1784 CA VAL B 69 19.182 7.657 -2.003 1.00 0.33 C ATOM 1785 C VAL B 69 20.027 6.533 -1.400 1.00 0.41 C ATOM 1786 O VAL B 69 19.756 5.361 -1.577 1.00 0.49 O ATOM 1787 CB VAL B 69 17.947 7.893 -1.123 1.00 0.45 C ATOM 1788 CG1 VAL B 69 17.250 9.191 -1.537 1.00 0.99 C ATOM 1789 CG2 VAL B 69 16.966 6.722 -1.269 1.00 1.04 C ATOM 0 H VAL B 69 17.770 7.229 -3.546 1.00 0.26 H new ATOM 0 HA VAL B 69 19.765 8.577 -2.045 1.00 0.33 H new ATOM 0 HB VAL B 69 18.268 7.969 -0.084 1.00 0.45 H new ATOM 0 HG11 VAL B 69 16.375 9.351 -0.907 1.00 0.99 H new ATOM 0 HG12 VAL B 69 17.939 10.027 -1.420 1.00 0.99 H new ATOM 0 HG13 VAL B 69 16.939 9.121 -2.579 1.00 0.99 H new ATOM 0 HG21 VAL B 69 16.093 6.898 -0.641 1.00 1.04 H new ATOM 0 HG22 VAL B 69 16.653 6.637 -2.310 1.00 1.04 H new ATOM 0 HG23 VAL B 69 17.454 5.798 -0.960 1.00 1.04 H new ATOM 1799 N ASP B 70 21.057 6.895 -0.690 1.00 0.49 N ATOM 1800 CA ASP B 70 21.943 5.880 -0.053 1.00 0.64 C ATOM 1801 C ASP B 70 21.144 5.021 0.929 1.00 0.76 C ATOM 1802 O ASP B 70 21.379 3.837 1.068 1.00 0.90 O ATOM 1803 CB ASP B 70 23.065 6.600 0.693 1.00 0.74 C ATOM 1804 CG ASP B 70 24.031 7.215 -0.321 1.00 0.77 C ATOM 1805 OD1 ASP B 70 24.266 6.587 -1.342 1.00 1.36 O ATOM 1806 OD2 ASP B 70 24.517 8.303 -0.061 1.00 1.32 O ATOM 0 H ASP B 70 21.327 7.864 -0.521 1.00 0.49 H new ATOM 0 HA ASP B 70 22.362 5.232 -0.823 1.00 0.64 H new ATOM 0 HB2 ASP B 70 22.650 7.377 1.335 1.00 0.74 H new ATOM 0 HB3 ASP B 70 23.595 5.901 1.340 1.00 0.74 H new ATOM 1811 N GLY B 71 20.217 5.614 1.632 1.00 0.77 N ATOM 1812 CA GLY B 71 19.416 4.834 2.620 1.00 0.96 C ATOM 1813 C GLY B 71 18.495 5.781 3.394 1.00 1.62 C ATOM 1814 O GLY B 71 19.010 6.663 4.060 1.00 2.29 O ATOM 1815 OXT GLY B 71 17.291 5.606 3.308 1.00 2.32 O ATOM 0 H GLY B 71 19.980 6.604 1.565 1.00 0.77 H new ATOM 0 HA2 GLY B 71 18.826 4.075 2.107 1.00 0.96 H new ATOM 0 HA3 GLY B 71 20.079 4.311 3.309 1.00 0.96 H new TER 1819 GLY B 71