USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 837 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 12 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -3.02 K(o=-3,f=-6.8!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -38:sc= 0.0413 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -161:sc= 0 (180deg=-0.14) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0.0035 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 30:sc= -0.271 USER MOD Single : A 46 SER OG : rot -28:sc= 0.401 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 70:sc= -0.905 USER MOD Single : A 50 SER OG : rot -56:sc= 0.137 USER MOD Single : A 51 ASN : amide:sc= -0.721 K(o=-0.72,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.15) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -81:sc= 1.25 USER MOD Single : A 76 THR OG1 : rot -98:sc= 1.08 USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= -0.0299 (180deg=-0.273) USER MOD Single : A 82 ASN : amide:sc= -0.631 X(o=-0.63,f=-0.14) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00237) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.669 K(o=0.67,f=-8.7!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.179 K(o=-0.18,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.832 -7.155 -2.450 1.00 0.00 N ATOM 2 CA MET A 1 2.542 -5.705 -2.583 1.00 0.00 C ATOM 3 C MET A 1 1.106 -5.468 -3.038 1.00 0.00 C ATOM 4 O MET A 1 0.602 -6.158 -3.925 1.00 0.00 O ATOM 5 CB MET A 1 3.525 -5.103 -3.588 1.00 0.00 C ATOM 6 CG MET A 1 4.007 -3.711 -3.211 1.00 0.00 C ATOM 7 SD MET A 1 5.393 -3.159 -4.223 1.00 0.00 S ATOM 8 CE MET A 1 5.015 -1.417 -4.390 1.00 0.00 C ATOM 0 H1 MET A 1 3.816 -7.285 -2.139 1.00 0.00 H new ATOM 0 H2 MET A 1 2.189 -7.575 -1.749 1.00 0.00 H new ATOM 0 H3 MET A 1 2.695 -7.622 -3.369 1.00 0.00 H new ATOM 0 HA MET A 1 2.658 -5.225 -1.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.387 -5.764 -3.681 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.049 -5.060 -4.568 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.183 -3.005 -3.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.303 -3.705 -2.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.784 -0.934 -4.993 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.046 -1.300 -4.876 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.984 -0.955 -3.403 1.00 0.00 H new ATOM 20 N VAL A 2 0.456 -4.490 -2.421 1.00 0.00 N ATOM 21 CA VAL A 2 -0.923 -4.152 -2.749 1.00 0.00 C ATOM 22 C VAL A 2 -1.041 -3.659 -4.186 1.00 0.00 C ATOM 23 O VAL A 2 -0.134 -3.007 -4.706 1.00 0.00 O ATOM 24 CB VAL A 2 -1.464 -3.067 -1.793 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.926 -2.743 -2.086 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.286 -3.503 -0.346 1.00 0.00 C ATOM 0 H VAL A 2 0.865 -3.913 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.516 -5.060 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.888 -2.156 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.274 -1.976 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.020 -2.379 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.530 -3.642 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.672 -2.729 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.831 -4.431 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.227 -3.662 -0.141 1.00 0.00 H new ATOM 36 N LYS A 3 -2.160 -3.979 -4.827 1.00 0.00 N ATOM 37 CA LYS A 3 -2.387 -3.572 -6.202 1.00 0.00 C ATOM 38 C LYS A 3 -3.858 -3.270 -6.424 1.00 0.00 C ATOM 39 O LYS A 3 -4.721 -4.121 -6.208 1.00 0.00 O ATOM 40 CB LYS A 3 -1.931 -4.667 -7.172 1.00 0.00 C ATOM 41 CG LYS A 3 -2.332 -6.072 -6.744 1.00 0.00 C ATOM 42 CD LYS A 3 -1.603 -7.132 -7.556 1.00 0.00 C ATOM 43 CE LYS A 3 -0.239 -7.451 -6.963 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.038 -8.917 -6.787 1.00 0.00 N ATOM 0 H LYS A 3 -2.921 -4.518 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.804 -2.671 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.350 -4.464 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.846 -4.623 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.111 -6.208 -5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.408 -6.197 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.205 -8.040 -7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.482 -6.786 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.541 -7.053 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.137 -6.952 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.903 -9.092 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.767 -9.293 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.110 -9.391 -7.710 1.00 0.00 H new ATOM 58 N GLN A 4 -4.140 -2.047 -6.850 1.00 0.00 N ATOM 59 CA GLN A 4 -5.508 -1.637 -7.101 1.00 0.00 C ATOM 60 C GLN A 4 -6.000 -2.280 -8.395 1.00 0.00 C ATOM 61 O GLN A 4 -5.350 -2.177 -9.436 1.00 0.00 O ATOM 62 CB GLN A 4 -5.600 -0.107 -7.176 1.00 0.00 C ATOM 63 CG GLN A 4 -6.897 0.415 -7.780 1.00 0.00 C ATOM 64 CD GLN A 4 -8.128 -0.055 -7.032 1.00 0.00 C ATOM 65 OE1 GLN A 4 -8.872 -0.910 -7.513 1.00 0.00 O ATOM 66 NE2 GLN A 4 -8.356 0.510 -5.851 1.00 0.00 N ATOM 0 H GLN A 4 -3.441 -1.326 -7.028 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.144 -1.969 -6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.491 0.301 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.762 0.267 -7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.876 1.505 -7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.964 0.092 -8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.713 1.215 -5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.174 0.239 -5.305 1.00 0.00 H new ATOM 75 N ILE A 5 -7.143 -2.946 -8.323 1.00 0.00 N ATOM 76 CA ILE A 5 -7.714 -3.612 -9.486 1.00 0.00 C ATOM 77 C ILE A 5 -8.830 -2.751 -10.085 1.00 0.00 C ATOM 78 O ILE A 5 -9.919 -2.643 -9.521 1.00 0.00 O ATOM 79 CB ILE A 5 -8.231 -5.029 -9.106 1.00 0.00 C ATOM 80 CG1 ILE A 5 -7.107 -6.076 -9.206 1.00 0.00 C ATOM 81 CG2 ILE A 5 -9.400 -5.458 -9.983 1.00 0.00 C ATOM 82 CD1 ILE A 5 -5.713 -5.551 -8.912 1.00 0.00 C ATOM 0 H ILE A 5 -7.695 -3.040 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.938 -3.738 -10.241 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.575 -4.970 -8.073 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.326 -6.889 -8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.115 -6.501 -10.210 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.732 -6.453 -9.686 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.221 -4.751 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.084 -5.477 -11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.991 -6.362 -9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.466 -4.759 -9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.680 -5.154 -7.897 1.00 0.00 H new ATOM 94 N GLU A 6 -8.544 -2.139 -11.234 1.00 0.00 N ATOM 95 CA GLU A 6 -9.514 -1.285 -11.915 1.00 0.00 C ATOM 96 C GLU A 6 -10.229 -2.026 -13.039 1.00 0.00 C ATOM 97 O GLU A 6 -10.784 -1.404 -13.945 1.00 0.00 O ATOM 98 CB GLU A 6 -8.829 -0.030 -12.468 1.00 0.00 C ATOM 99 CG GLU A 6 -9.590 1.254 -12.175 1.00 0.00 C ATOM 100 CD GLU A 6 -8.682 2.465 -12.072 1.00 0.00 C ATOM 101 OE1 GLU A 6 -8.127 2.881 -13.111 1.00 0.00 O ATOM 102 OE2 GLU A 6 -8.530 3.000 -10.954 1.00 0.00 O ATOM 0 H GLU A 6 -7.647 -2.220 -11.712 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.262 -0.991 -11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.828 0.045 -12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.711 -0.135 -13.546 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.325 1.423 -12.962 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.142 1.139 -11.242 1.00 0.00 H new ATOM 109 N SER A 7 -10.210 -3.351 -12.987 1.00 0.00 N ATOM 110 CA SER A 7 -10.856 -4.156 -14.017 1.00 0.00 C ATOM 111 C SER A 7 -11.206 -5.548 -13.495 1.00 0.00 C ATOM 112 O SER A 7 -10.630 -6.020 -12.512 1.00 0.00 O ATOM 113 CB SER A 7 -9.947 -4.270 -15.240 1.00 0.00 C ATOM 114 OG SER A 7 -10.703 -4.289 -16.437 1.00 0.00 O ATOM 0 H SER A 7 -9.758 -3.889 -12.248 1.00 0.00 H new ATOM 0 HA SER A 7 -11.783 -3.658 -14.301 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.251 -3.431 -15.259 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.349 -5.179 -15.169 1.00 0.00 H new ATOM 0 HG SER A 7 -10.098 -4.361 -17.205 1.00 0.00 H new ATOM 120 N LYS A 8 -12.142 -6.208 -14.172 1.00 0.00 N ATOM 121 CA LYS A 8 -12.561 -7.550 -13.786 1.00 0.00 C ATOM 122 C LYS A 8 -11.481 -8.575 -14.119 1.00 0.00 C ATOM 123 O LYS A 8 -11.403 -9.632 -13.494 1.00 0.00 O ATOM 124 CB LYS A 8 -13.869 -7.922 -14.487 1.00 0.00 C ATOM 125 CG LYS A 8 -14.416 -9.279 -14.069 1.00 0.00 C ATOM 126 CD LYS A 8 -14.705 -10.166 -15.272 1.00 0.00 C ATOM 127 CE LYS A 8 -13.494 -11.005 -15.650 1.00 0.00 C ATOM 128 NZ LYS A 8 -13.875 -12.395 -16.023 1.00 0.00 N ATOM 0 H LYS A 8 -12.624 -5.835 -14.990 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.722 -7.556 -12.708 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.616 -7.157 -14.275 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.708 -7.920 -15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.698 -9.775 -13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.330 -9.140 -13.491 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.547 -10.821 -15.048 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.999 -9.547 -16.120 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.973 -10.535 -16.484 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.796 -11.032 -14.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.021 -12.934 -16.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.349 -12.853 -15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.521 -12.371 -16.838 1.00 0.00 H new ATOM 142 N THR A 9 -10.648 -8.255 -15.104 1.00 0.00 N ATOM 143 CA THR A 9 -9.571 -9.151 -15.514 1.00 0.00 C ATOM 144 C THR A 9 -8.384 -9.037 -14.564 1.00 0.00 C ATOM 145 O THR A 9 -7.664 -10.008 -14.331 1.00 0.00 O ATOM 146 CB THR A 9 -9.126 -8.833 -16.943 1.00 0.00 C ATOM 147 OG1 THR A 9 -10.210 -8.334 -17.707 1.00 0.00 O ATOM 148 CG2 THR A 9 -8.564 -10.034 -17.673 1.00 0.00 C ATOM 0 H THR A 9 -10.697 -7.384 -15.633 1.00 0.00 H new ATOM 0 HA THR A 9 -9.949 -10.173 -15.480 1.00 0.00 H new ATOM 0 HB THR A 9 -8.338 -8.086 -16.842 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.905 -8.135 -18.617 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.267 -9.741 -18.680 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.696 -10.413 -17.135 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.324 -10.813 -17.731 1.00 0.00 H new ATOM 156 N ALA A 10 -8.184 -7.840 -14.024 1.00 0.00 N ATOM 157 CA ALA A 10 -7.084 -7.589 -13.103 1.00 0.00 C ATOM 158 C ALA A 10 -7.260 -8.375 -11.809 1.00 0.00 C ATOM 159 O ALA A 10 -6.296 -8.918 -11.269 1.00 0.00 O ATOM 160 CB ALA A 10 -6.974 -6.097 -12.817 1.00 0.00 C ATOM 0 H ALA A 10 -8.771 -7.027 -14.209 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.159 -7.927 -13.571 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.149 -5.919 -12.127 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.791 -5.561 -13.748 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.903 -5.743 -12.370 1.00 0.00 H new ATOM 166 N PHE A 11 -8.496 -8.456 -11.324 1.00 0.00 N ATOM 167 CA PHE A 11 -8.784 -9.194 -10.094 1.00 0.00 C ATOM 168 C PHE A 11 -8.335 -10.644 -10.239 1.00 0.00 C ATOM 169 O PHE A 11 -7.692 -11.199 -9.348 1.00 0.00 O ATOM 170 CB PHE A 11 -10.282 -9.121 -9.773 1.00 0.00 C ATOM 171 CG PHE A 11 -10.612 -9.402 -8.332 1.00 0.00 C ATOM 172 CD1 PHE A 11 -9.853 -8.850 -7.311 1.00 0.00 C ATOM 173 CD2 PHE A 11 -11.680 -10.219 -8.000 1.00 0.00 C ATOM 174 CE1 PHE A 11 -10.154 -9.108 -5.989 1.00 0.00 C ATOM 175 CE2 PHE A 11 -11.986 -10.479 -6.678 1.00 0.00 C ATOM 176 CZ PHE A 11 -11.221 -9.924 -5.671 1.00 0.00 C ATOM 0 H PHE A 11 -9.311 -8.023 -11.759 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.233 -8.741 -9.270 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.651 -8.129 -10.033 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.814 -9.834 -10.403 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.017 -8.211 -7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.280 -10.658 -8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.555 -8.672 -5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.823 -11.116 -6.432 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.457 -10.128 -4.637 1.00 0.00 H new ATOM 186 N GLN A 12 -8.649 -11.238 -11.384 1.00 0.00 N ATOM 187 CA GLN A 12 -8.252 -12.611 -11.664 1.00 0.00 C ATOM 188 C GLN A 12 -6.732 -12.700 -11.743 1.00 0.00 C ATOM 189 O GLN A 12 -6.116 -13.601 -11.173 1.00 0.00 O ATOM 190 CB GLN A 12 -8.875 -13.094 -12.976 1.00 0.00 C ATOM 191 CG GLN A 12 -10.389 -12.965 -13.014 1.00 0.00 C ATOM 192 CD GLN A 12 -11.095 -14.288 -12.781 1.00 0.00 C ATOM 193 OE1 GLN A 12 -12.044 -14.630 -13.486 1.00 0.00 O ATOM 194 NE2 GLN A 12 -10.632 -15.039 -11.788 1.00 0.00 N ATOM 0 H GLN A 12 -9.177 -10.790 -12.133 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.609 -13.251 -10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.449 -12.524 -13.802 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.603 -14.138 -13.135 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.708 -12.249 -12.256 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.691 -12.562 -13.981 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.842 -14.715 -11.229 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.066 -15.939 -11.584 1.00 0.00 H new ATOM 203 N GLU A 13 -6.138 -11.748 -12.458 1.00 0.00 N ATOM 204 CA GLU A 13 -4.692 -11.695 -12.633 1.00 0.00 C ATOM 205 C GLU A 13 -3.973 -11.606 -11.290 1.00 0.00 C ATOM 206 O GLU A 13 -3.020 -12.343 -11.039 1.00 0.00 O ATOM 207 CB GLU A 13 -4.318 -10.494 -13.504 1.00 0.00 C ATOM 208 CG GLU A 13 -4.317 -10.798 -14.994 1.00 0.00 C ATOM 209 CD GLU A 13 -3.623 -9.724 -15.808 1.00 0.00 C ATOM 210 OE1 GLU A 13 -4.047 -8.552 -15.729 1.00 0.00 O ATOM 211 OE2 GLU A 13 -2.654 -10.055 -16.523 1.00 0.00 O ATOM 0 H GLU A 13 -6.643 -10.997 -12.929 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.377 -12.615 -13.124 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.018 -9.682 -13.308 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.329 -10.139 -13.214 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.823 -11.754 -15.165 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.345 -10.903 -15.340 1.00 0.00 H new ATOM 218 N ALA A 14 -4.435 -10.704 -10.428 1.00 0.00 N ATOM 219 CA ALA A 14 -3.830 -10.526 -9.112 1.00 0.00 C ATOM 220 C ALA A 14 -3.999 -11.779 -8.262 1.00 0.00 C ATOM 221 O ALA A 14 -3.152 -12.093 -7.427 1.00 0.00 O ATOM 222 CB ALA A 14 -4.444 -9.326 -8.407 1.00 0.00 C ATOM 0 H ALA A 14 -5.225 -10.086 -10.617 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.764 -10.347 -9.249 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.983 -9.205 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.273 -8.428 -9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.516 -9.484 -8.287 1.00 0.00 H new ATOM 228 N LEU A 15 -5.098 -12.491 -8.482 1.00 0.00 N ATOM 229 CA LEU A 15 -5.378 -13.711 -7.737 1.00 0.00 C ATOM 230 C LEU A 15 -4.408 -14.817 -8.143 1.00 0.00 C ATOM 231 O LEU A 15 -3.943 -15.596 -7.305 1.00 0.00 O ATOM 232 CB LEU A 15 -6.825 -14.145 -7.968 1.00 0.00 C ATOM 233 CG LEU A 15 -7.855 -13.420 -7.102 1.00 0.00 C ATOM 234 CD1 LEU A 15 -9.258 -13.640 -7.643 1.00 0.00 C ATOM 235 CD2 LEU A 15 -7.761 -13.887 -5.657 1.00 0.00 C ATOM 0 H LEU A 15 -5.809 -12.244 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.242 -13.515 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.075 -13.985 -9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.903 -15.216 -7.782 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.639 -12.352 -7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.977 -13.116 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.320 -13.256 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.485 -14.706 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.502 -13.360 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.950 -14.959 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.764 -13.677 -5.271 1.00 0.00 H new ATOM 247 N ASP A 16 -4.084 -14.868 -9.433 1.00 0.00 N ATOM 248 CA ASP A 16 -3.152 -15.864 -9.943 1.00 0.00 C ATOM 249 C ASP A 16 -1.792 -15.682 -9.281 1.00 0.00 C ATOM 250 O ASP A 16 -1.072 -16.649 -9.032 1.00 0.00 O ATOM 251 CB ASP A 16 -3.015 -15.744 -11.464 1.00 0.00 C ATOM 252 CG ASP A 16 -2.305 -16.936 -12.077 1.00 0.00 C ATOM 253 OD1 ASP A 16 -1.403 -17.494 -11.415 1.00 0.00 O ATOM 254 OD2 ASP A 16 -2.648 -17.311 -13.217 1.00 0.00 O ATOM 0 H ASP A 16 -4.453 -14.232 -10.140 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.537 -16.856 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.005 -15.647 -11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.466 -14.834 -11.706 1.00 0.00 H new ATOM 259 N ALA A 17 -1.460 -14.429 -8.979 1.00 0.00 N ATOM 260 CA ALA A 17 -0.202 -14.103 -8.322 1.00 0.00 C ATOM 261 C ALA A 17 -0.259 -14.441 -6.837 1.00 0.00 C ATOM 262 O ALA A 17 0.770 -14.659 -6.199 1.00 0.00 O ATOM 263 CB ALA A 17 0.123 -12.630 -8.510 1.00 0.00 C ATOM 0 H ALA A 17 -2.049 -13.621 -9.181 1.00 0.00 H new ATOM 0 HA ALA A 17 0.585 -14.702 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.066 -12.399 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.209 -12.409 -9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.673 -12.024 -8.077 1.00 0.00 H new ATOM 269 N ALA A 18 -1.472 -14.481 -6.289 1.00 0.00 N ATOM 270 CA ALA A 18 -1.660 -14.787 -4.878 1.00 0.00 C ATOM 271 C ALA A 18 -1.276 -16.226 -4.570 1.00 0.00 C ATOM 272 O ALA A 18 -0.748 -16.511 -3.496 1.00 0.00 O ATOM 273 CB ALA A 18 -3.095 -14.511 -4.453 1.00 0.00 C ATOM 0 H ALA A 18 -2.336 -14.305 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.000 -14.135 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.213 -14.747 -3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.328 -13.459 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.774 -15.129 -5.040 1.00 0.00 H new ATOM 279 N GLY A 19 -1.525 -17.137 -5.510 1.00 0.00 N ATOM 280 CA GLY A 19 -1.171 -18.528 -5.291 1.00 0.00 C ATOM 281 C GLY A 19 -1.811 -19.112 -4.055 1.00 0.00 C ATOM 282 O GLY A 19 -3.035 -19.119 -3.920 1.00 0.00 O ATOM 0 H GLY A 19 -1.961 -16.938 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.470 -19.114 -6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.088 -18.613 -5.207 1.00 0.00 H new ATOM 286 N ASP A 20 -0.980 -19.608 -3.151 1.00 0.00 N ATOM 287 CA ASP A 20 -1.467 -20.205 -1.922 1.00 0.00 C ATOM 288 C ASP A 20 -1.477 -19.192 -0.779 1.00 0.00 C ATOM 289 O ASP A 20 -1.776 -19.542 0.362 1.00 0.00 O ATOM 290 CB ASP A 20 -0.617 -21.422 -1.556 1.00 0.00 C ATOM 291 CG ASP A 20 0.812 -21.056 -1.209 1.00 0.00 C ATOM 292 OD1 ASP A 20 1.500 -20.468 -2.071 1.00 0.00 O ATOM 293 OD2 ASP A 20 1.245 -21.358 -0.077 1.00 0.00 O ATOM 0 H ASP A 20 0.035 -19.608 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.495 -20.529 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.072 -21.936 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.615 -22.123 -2.391 1.00 0.00 H new ATOM 298 N LYS A 21 -1.183 -17.929 -1.091 1.00 0.00 N ATOM 299 CA LYS A 21 -1.197 -16.880 -0.086 1.00 0.00 C ATOM 300 C LYS A 21 -2.630 -16.434 0.151 1.00 0.00 C ATOM 301 O LYS A 21 -3.451 -16.456 -0.766 1.00 0.00 O ATOM 302 CB LYS A 21 -0.353 -15.681 -0.534 1.00 0.00 C ATOM 303 CG LYS A 21 1.148 -15.923 -0.487 1.00 0.00 C ATOM 304 CD LYS A 21 1.903 -14.861 -1.273 1.00 0.00 C ATOM 305 CE LYS A 21 3.402 -14.936 -1.023 1.00 0.00 C ATOM 306 NZ LYS A 21 4.016 -16.132 -1.662 1.00 0.00 N ATOM 0 H LYS A 21 -0.934 -17.614 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.770 -17.274 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.635 -15.413 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.592 -14.826 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.487 -15.921 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.373 -16.909 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.705 -14.986 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.537 -13.873 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.879 -14.035 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.589 -14.962 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.037 -16.144 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.580 -16.994 -1.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.860 -16.095 -2.690 1.00 0.00 H new ATOM 320 N LEU A 22 -2.929 -16.013 1.366 1.00 0.00 N ATOM 321 CA LEU A 22 -4.270 -15.548 1.686 1.00 0.00 C ATOM 322 C LEU A 22 -4.467 -14.151 1.115 1.00 0.00 C ATOM 323 O LEU A 22 -3.587 -13.297 1.226 1.00 0.00 O ATOM 324 CB LEU A 22 -4.493 -15.553 3.200 1.00 0.00 C ATOM 325 CG LEU A 22 -5.791 -14.895 3.683 1.00 0.00 C ATOM 326 CD1 LEU A 22 -6.974 -15.322 2.825 1.00 0.00 C ATOM 327 CD2 LEU A 22 -6.041 -15.237 5.144 1.00 0.00 C ATOM 0 H LEU A 22 -2.269 -15.982 2.143 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.002 -16.221 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.480 -16.586 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.652 -15.047 3.674 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.681 -13.815 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.881 -14.840 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.798 -15.028 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.091 -16.404 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.965 -14.764 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.126 -16.318 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.211 -14.874 5.750 1.00 0.00 H new ATOM 339 N VAL A 23 -5.606 -13.926 0.477 1.00 0.00 N ATOM 340 CA VAL A 23 -5.881 -12.635 -0.134 1.00 0.00 C ATOM 341 C VAL A 23 -7.030 -11.914 0.551 1.00 0.00 C ATOM 342 O VAL A 23 -8.195 -12.289 0.417 1.00 0.00 O ATOM 343 CB VAL A 23 -6.195 -12.779 -1.636 1.00 0.00 C ATOM 344 CG1 VAL A 23 -6.105 -11.431 -2.335 1.00 0.00 C ATOM 345 CG2 VAL A 23 -5.260 -13.790 -2.292 1.00 0.00 C ATOM 0 H VAL A 23 -6.350 -14.616 0.369 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.976 -12.040 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.216 -13.148 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.330 -11.555 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.822 -10.742 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.098 -11.029 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.501 -13.874 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.228 -13.457 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.382 -14.762 -1.814 1.00 0.00 H new ATOM 355 N VAL A 24 -6.689 -10.852 1.266 1.00 0.00 N ATOM 356 CA VAL A 24 -7.678 -10.042 1.949 1.00 0.00 C ATOM 357 C VAL A 24 -7.880 -8.766 1.154 1.00 0.00 C ATOM 358 O VAL A 24 -6.953 -7.977 0.982 1.00 0.00 O ATOM 359 CB VAL A 24 -7.245 -9.698 3.390 1.00 0.00 C ATOM 360 CG1 VAL A 24 -5.899 -8.988 3.391 1.00 0.00 C ATOM 361 CG2 VAL A 24 -8.304 -8.854 4.086 1.00 0.00 C ATOM 0 H VAL A 24 -5.728 -10.532 1.387 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.607 -10.608 2.018 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.138 -10.630 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.612 -8.754 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.146 -9.635 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.974 -8.065 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.977 -8.624 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.451 -7.926 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.243 -9.407 4.124 1.00 0.00 H new ATOM 371 N VAL A 25 -9.084 -8.583 0.634 1.00 0.00 N ATOM 372 CA VAL A 25 -9.375 -7.418 -0.183 1.00 0.00 C ATOM 373 C VAL A 25 -10.556 -6.617 0.358 1.00 0.00 C ATOM 374 O VAL A 25 -11.305 -7.085 1.216 1.00 0.00 O ATOM 375 CB VAL A 25 -9.636 -7.834 -1.646 1.00 0.00 C ATOM 376 CG1 VAL A 25 -8.327 -8.146 -2.347 1.00 0.00 C ATOM 377 CG2 VAL A 25 -10.541 -9.047 -1.715 1.00 0.00 C ATOM 0 H VAL A 25 -9.869 -9.221 0.762 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.498 -6.772 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.128 -6.999 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.527 -8.438 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.689 -7.262 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.823 -8.963 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.708 -9.318 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.071 -9.881 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.496 -8.816 -1.243 1.00 0.00 H new ATOM 387 N ASP A 26 -10.705 -5.397 -0.147 1.00 0.00 N ATOM 388 CA ASP A 26 -11.781 -4.514 0.285 1.00 0.00 C ATOM 389 C ASP A 26 -12.547 -3.941 -0.901 1.00 0.00 C ATOM 390 O ASP A 26 -11.952 -3.409 -1.837 1.00 0.00 O ATOM 391 CB ASP A 26 -11.217 -3.371 1.131 1.00 0.00 C ATOM 392 CG ASP A 26 -12.286 -2.672 1.948 1.00 0.00 C ATOM 393 OD1 ASP A 26 -13.474 -2.759 1.571 1.00 0.00 O ATOM 394 OD2 ASP A 26 -11.935 -2.036 2.965 1.00 0.00 O ATOM 0 H ASP A 26 -10.092 -4.997 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.473 -5.107 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.451 -3.762 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.731 -2.646 0.479 1.00 0.00 H new ATOM 399 N PHE A 27 -13.873 -4.023 -0.836 1.00 0.00 N ATOM 400 CA PHE A 27 -14.731 -3.487 -1.891 1.00 0.00 C ATOM 401 C PHE A 27 -15.242 -2.107 -1.481 1.00 0.00 C ATOM 402 O PHE A 27 -16.053 -1.985 -0.561 1.00 0.00 O ATOM 403 CB PHE A 27 -15.904 -4.431 -2.154 1.00 0.00 C ATOM 404 CG PHE A 27 -15.653 -5.362 -3.303 1.00 0.00 C ATOM 405 CD1 PHE A 27 -14.843 -6.478 -3.144 1.00 0.00 C ATOM 406 CD2 PHE A 27 -16.203 -5.110 -4.549 1.00 0.00 C ATOM 407 CE1 PHE A 27 -14.590 -7.325 -4.208 1.00 0.00 C ATOM 408 CE2 PHE A 27 -15.956 -5.956 -5.615 1.00 0.00 C ATOM 409 CZ PHE A 27 -15.147 -7.064 -5.445 1.00 0.00 C ATOM 0 H PHE A 27 -14.378 -4.456 -0.063 1.00 0.00 H new ATOM 0 HA PHE A 27 -14.152 -3.396 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -16.103 -5.015 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -16.799 -3.843 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.406 -6.687 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -16.832 -4.243 -4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -13.957 -8.190 -4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.395 -5.751 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 27 -14.951 -7.724 -6.277 1.00 0.00 H new ATOM 419 N SER A 28 -14.758 -1.068 -2.157 1.00 0.00 N ATOM 420 CA SER A 28 -15.162 0.299 -1.840 1.00 0.00 C ATOM 421 C SER A 28 -15.497 1.101 -3.092 1.00 0.00 C ATOM 422 O SER A 28 -14.906 0.902 -4.150 1.00 0.00 O ATOM 423 CB SER A 28 -14.052 1.005 -1.063 1.00 0.00 C ATOM 424 OG SER A 28 -12.790 0.794 -1.671 1.00 0.00 O ATOM 0 H SER A 28 -14.089 -1.146 -2.923 1.00 0.00 H new ATOM 0 HA SER A 28 -16.063 0.239 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.261 2.074 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.031 0.637 -0.037 1.00 0.00 H new ATOM 0 HG SER A 28 -12.097 1.257 -1.156 1.00 0.00 H new ATOM 430 N ALA A 29 -16.418 2.047 -2.943 1.00 0.00 N ATOM 431 CA ALA A 29 -16.801 2.927 -4.036 1.00 0.00 C ATOM 432 C ALA A 29 -16.024 4.232 -3.929 1.00 0.00 C ATOM 433 O ALA A 29 -15.575 4.596 -2.843 1.00 0.00 O ATOM 434 CB ALA A 29 -18.300 3.195 -4.004 1.00 0.00 C ATOM 0 H ALA A 29 -16.915 2.223 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.564 2.445 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -18.569 3.855 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.840 2.253 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.565 3.669 -3.059 1.00 0.00 H new ATOM 440 N THR A 30 -15.895 4.960 -5.029 1.00 0.00 N ATOM 441 CA THR A 30 -15.202 6.242 -4.990 1.00 0.00 C ATOM 442 C THR A 30 -16.042 7.240 -4.195 1.00 0.00 C ATOM 443 O THR A 30 -15.520 8.072 -3.454 1.00 0.00 O ATOM 444 CB THR A 30 -14.941 6.760 -6.404 1.00 0.00 C ATOM 445 OG1 THR A 30 -14.599 5.694 -7.272 1.00 0.00 O ATOM 446 CG2 THR A 30 -13.823 7.779 -6.468 1.00 0.00 C ATOM 0 H THR A 30 -16.254 4.692 -5.945 1.00 0.00 H new ATOM 0 HA THR A 30 -14.236 6.114 -4.502 1.00 0.00 H new ATOM 0 HB THR A 30 -15.869 7.240 -6.714 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.033 5.052 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.688 8.107 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.076 8.637 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.899 7.328 -6.107 1.00 0.00 H new ATOM 454 N TRP A 31 -17.356 7.133 -4.377 1.00 0.00 N ATOM 455 CA TRP A 31 -18.320 8.012 -3.712 1.00 0.00 C ATOM 456 C TRP A 31 -18.692 7.505 -2.312 1.00 0.00 C ATOM 457 O TRP A 31 -19.691 7.941 -1.740 1.00 0.00 O ATOM 458 CB TRP A 31 -19.591 8.108 -4.561 1.00 0.00 C ATOM 459 CG TRP A 31 -20.328 6.807 -4.648 1.00 0.00 C ATOM 460 CD1 TRP A 31 -20.104 5.786 -5.531 1.00 0.00 C ATOM 461 CD2 TRP A 31 -21.401 6.378 -3.804 1.00 0.00 C ATOM 462 NE1 TRP A 31 -20.972 4.750 -5.279 1.00 0.00 N ATOM 463 CE2 TRP A 31 -21.777 5.092 -4.228 1.00 0.00 C ATOM 464 CE3 TRP A 31 -22.081 6.957 -2.730 1.00 0.00 C ATOM 465 CZ2 TRP A 31 -22.799 4.374 -3.614 1.00 0.00 C ATOM 466 CZ3 TRP A 31 -23.095 6.244 -2.121 1.00 0.00 C ATOM 467 CH2 TRP A 31 -23.445 4.963 -2.566 1.00 0.00 C ATOM 0 H TRP A 31 -17.784 6.437 -4.988 1.00 0.00 H new ATOM 0 HA TRP A 31 -17.853 8.991 -3.603 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -20.250 8.866 -4.137 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -19.328 8.440 -5.565 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -19.356 5.793 -6.310 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -21.009 3.869 -5.793 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -21.818 7.945 -2.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -23.071 3.386 -3.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -23.626 6.681 -1.289 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -24.243 4.430 -2.070 1.00 0.00 H new ATOM 478 N CYS A 32 -17.898 6.591 -1.762 1.00 0.00 N ATOM 479 CA CYS A 32 -18.174 6.053 -0.433 1.00 0.00 C ATOM 480 C CYS A 32 -17.476 6.866 0.651 1.00 0.00 C ATOM 481 O CYS A 32 -16.481 7.543 0.394 1.00 0.00 O ATOM 482 CB CYS A 32 -17.747 4.584 -0.350 1.00 0.00 C ATOM 483 SG CYS A 32 -18.259 3.742 1.184 1.00 0.00 S ATOM 0 H CYS A 32 -17.065 6.210 -2.211 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.249 6.119 -0.265 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -18.164 4.047 -1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -16.662 4.527 -0.438 1.00 0.00 H new ATOM 488 N GLY A 33 -18.006 6.789 1.870 1.00 0.00 N ATOM 489 CA GLY A 33 -17.426 7.519 2.983 1.00 0.00 C ATOM 490 C GLY A 33 -16.676 6.610 3.942 1.00 0.00 C ATOM 491 O GLY A 33 -15.446 6.614 3.969 1.00 0.00 O ATOM 0 H GLY A 33 -18.828 6.233 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.746 8.280 2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.216 8.041 3.523 1.00 0.00 H new ATOM 495 N PRO A 34 -17.396 5.815 4.754 1.00 0.00 N ATOM 496 CA PRO A 34 -16.772 4.901 5.716 1.00 0.00 C ATOM 497 C PRO A 34 -15.750 3.979 5.057 1.00 0.00 C ATOM 498 O PRO A 34 -14.848 3.465 5.720 1.00 0.00 O ATOM 499 CB PRO A 34 -17.951 4.093 6.263 1.00 0.00 C ATOM 500 CG PRO A 34 -19.144 4.960 6.047 1.00 0.00 C ATOM 501 CD PRO A 34 -18.867 5.747 4.796 1.00 0.00 C ATOM 0 HA PRO A 34 -16.217 5.437 6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -18.054 3.142 5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.816 3.863 7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -20.047 4.360 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.303 5.623 6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -19.272 5.253 3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.314 6.740 4.839 1.00 0.00 H new ATOM 509 N CYS A 35 -15.888 3.778 3.750 1.00 0.00 N ATOM 510 CA CYS A 35 -14.965 2.927 3.008 1.00 0.00 C ATOM 511 C CYS A 35 -13.551 3.482 3.101 1.00 0.00 C ATOM 512 O CYS A 35 -12.578 2.735 3.213 1.00 0.00 O ATOM 513 CB CYS A 35 -15.387 2.838 1.539 1.00 0.00 C ATOM 514 SG CYS A 35 -17.040 2.121 1.277 1.00 0.00 S ATOM 0 H CYS A 35 -16.629 4.192 3.184 1.00 0.00 H new ATOM 0 HA CYS A 35 -14.988 1.929 3.445 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.364 3.838 1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.654 2.239 0.998 1.00 0.00 H new ATOM 519 N LYS A 36 -13.455 4.804 3.059 1.00 0.00 N ATOM 520 CA LYS A 36 -12.174 5.495 3.138 1.00 0.00 C ATOM 521 C LYS A 36 -11.551 5.368 4.532 1.00 0.00 C ATOM 522 O LYS A 36 -10.360 5.619 4.712 1.00 0.00 O ATOM 523 CB LYS A 36 -12.364 6.969 2.778 1.00 0.00 C ATOM 524 CG LYS A 36 -13.137 7.182 1.482 1.00 0.00 C ATOM 525 CD LYS A 36 -13.039 8.622 1.001 1.00 0.00 C ATOM 526 CE LYS A 36 -13.565 9.597 2.044 1.00 0.00 C ATOM 527 NZ LYS A 36 -13.381 11.015 1.626 1.00 0.00 N ATOM 0 H LYS A 36 -14.259 5.426 2.970 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.491 5.029 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.889 7.469 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.386 7.443 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.750 6.514 0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.184 6.919 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.000 8.860 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.605 8.737 0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.624 9.405 2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.050 9.428 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.753 11.646 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.369 11.207 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.893 11.184 0.737 1.00 0.00 H new ATOM 541 N MET A 37 -12.361 4.977 5.515 1.00 0.00 N ATOM 542 CA MET A 37 -11.880 4.822 6.888 1.00 0.00 C ATOM 543 C MET A 37 -11.024 3.565 7.041 1.00 0.00 C ATOM 544 O MET A 37 -10.204 3.472 7.954 1.00 0.00 O ATOM 545 CB MET A 37 -13.056 4.772 7.868 1.00 0.00 C ATOM 546 CG MET A 37 -13.849 6.068 7.935 1.00 0.00 C ATOM 547 SD MET A 37 -14.957 6.132 9.357 1.00 0.00 S ATOM 548 CE MET A 37 -16.113 7.396 8.834 1.00 0.00 C ATOM 0 H MET A 37 -13.350 4.762 5.387 1.00 0.00 H new ATOM 0 HA MET A 37 -11.260 5.688 7.118 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.725 3.961 7.579 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.679 4.535 8.863 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.158 6.910 7.979 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.431 6.181 7.020 1.00 0.00 H new ATOM 0 HE1 MET A 37 -16.640 7.789 9.703 1.00 0.00 H new ATOM 0 HE2 MET A 37 -15.571 8.204 8.343 1.00 0.00 H new ATOM 0 HE3 MET A 37 -16.832 6.965 8.137 1.00 0.00 H new ATOM 558 N ILE A 38 -11.227 2.597 6.152 1.00 0.00 N ATOM 559 CA ILE A 38 -10.485 1.339 6.204 1.00 0.00 C ATOM 560 C ILE A 38 -9.159 1.424 5.445 1.00 0.00 C ATOM 561 O ILE A 38 -8.246 0.635 5.690 1.00 0.00 O ATOM 562 CB ILE A 38 -11.315 0.185 5.606 1.00 0.00 C ATOM 563 CG1 ILE A 38 -12.737 0.191 6.178 1.00 0.00 C ATOM 564 CG2 ILE A 38 -10.635 -1.152 5.863 1.00 0.00 C ATOM 565 CD1 ILE A 38 -12.826 -0.287 7.613 1.00 0.00 C ATOM 0 H ILE A 38 -11.899 2.659 5.387 1.00 0.00 H new ATOM 0 HA ILE A 38 -10.280 1.147 7.257 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.381 0.331 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.138 1.203 6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.371 -0.441 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.235 -1.954 5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.647 -1.152 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.535 -1.309 6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.864 -0.253 7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.457 -1.311 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.221 0.358 8.250 1.00 0.00 H new ATOM 577 N LYS A 39 -9.064 2.367 4.510 1.00 0.00 N ATOM 578 CA LYS A 39 -7.859 2.533 3.697 1.00 0.00 C ATOM 579 C LYS A 39 -6.575 2.561 4.535 1.00 0.00 C ATOM 580 O LYS A 39 -5.689 1.729 4.340 1.00 0.00 O ATOM 581 CB LYS A 39 -7.965 3.812 2.862 1.00 0.00 C ATOM 582 CG LYS A 39 -8.560 3.583 1.480 1.00 0.00 C ATOM 583 CD LYS A 39 -8.382 4.798 0.582 1.00 0.00 C ATOM 584 CE LYS A 39 -8.164 4.392 -0.867 1.00 0.00 C ATOM 585 NZ LYS A 39 -9.361 4.667 -1.712 1.00 0.00 N ATOM 0 H LYS A 39 -9.809 3.030 4.295 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.794 1.664 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.577 4.537 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.973 4.250 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.086 2.717 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.621 3.353 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.262 5.437 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.532 5.386 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.306 4.930 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.924 3.330 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.472 3.908 -2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.208 4.709 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.239 5.576 -2.202 1.00 0.00 H new ATOM 599 N PRO A 40 -6.441 3.523 5.466 1.00 0.00 N ATOM 600 CA PRO A 40 -5.243 3.648 6.306 1.00 0.00 C ATOM 601 C PRO A 40 -4.877 2.357 7.039 1.00 0.00 C ATOM 602 O PRO A 40 -3.704 1.991 7.107 1.00 0.00 O ATOM 603 CB PRO A 40 -5.607 4.754 7.310 1.00 0.00 C ATOM 604 CG PRO A 40 -7.081 4.941 7.180 1.00 0.00 C ATOM 605 CD PRO A 40 -7.418 4.578 5.763 1.00 0.00 C ATOM 0 HA PRO A 40 -4.365 3.875 5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.336 4.466 8.326 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.073 5.678 7.087 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.619 4.306 7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.365 5.971 7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.443 4.220 5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.314 5.429 5.090 1.00 0.00 H new ATOM 613 N PHE A 41 -5.871 1.687 7.621 1.00 0.00 N ATOM 614 CA PHE A 41 -5.616 0.464 8.389 1.00 0.00 C ATOM 615 C PHE A 41 -5.435 -0.763 7.494 1.00 0.00 C ATOM 616 O PHE A 41 -4.689 -1.679 7.841 1.00 0.00 O ATOM 617 CB PHE A 41 -6.765 0.204 9.368 1.00 0.00 C ATOM 618 CG PHE A 41 -7.260 1.433 10.081 1.00 0.00 C ATOM 619 CD1 PHE A 41 -6.433 2.133 10.944 1.00 0.00 C ATOM 620 CD2 PHE A 41 -8.557 1.881 9.892 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.891 3.259 11.604 1.00 0.00 C ATOM 622 CE2 PHE A 41 -9.020 3.005 10.547 1.00 0.00 C ATOM 623 CZ PHE A 41 -8.186 3.695 11.406 1.00 0.00 C ATOM 0 H PHE A 41 -6.851 1.965 7.578 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.684 0.624 8.932 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.596 -0.246 8.824 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.437 -0.525 10.109 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.419 1.796 11.103 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.214 1.344 9.224 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.236 3.797 12.274 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -10.033 3.344 10.388 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.546 4.573 11.921 1.00 0.00 H new ATOM 633 N PHE A 42 -6.110 -0.791 6.350 1.00 0.00 N ATOM 634 CA PHE A 42 -5.994 -1.927 5.437 1.00 0.00 C ATOM 635 C PHE A 42 -4.583 -2.010 4.862 1.00 0.00 C ATOM 636 O PHE A 42 -3.994 -3.089 4.782 1.00 0.00 O ATOM 637 CB PHE A 42 -7.018 -1.815 4.303 1.00 0.00 C ATOM 638 CG PHE A 42 -7.465 -3.142 3.750 1.00 0.00 C ATOM 639 CD1 PHE A 42 -8.349 -3.943 4.460 1.00 0.00 C ATOM 640 CD2 PHE A 42 -7.012 -3.586 2.516 1.00 0.00 C ATOM 641 CE1 PHE A 42 -8.770 -5.157 3.949 1.00 0.00 C ATOM 642 CE2 PHE A 42 -7.428 -4.801 2.003 1.00 0.00 C ATOM 643 CZ PHE A 42 -8.310 -5.586 2.719 1.00 0.00 C ATOM 0 H PHE A 42 -6.736 -0.051 6.034 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.197 -2.838 6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.890 -1.272 4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.588 -1.223 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.712 -3.614 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.326 -2.975 1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.459 -5.770 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.063 -5.136 1.043 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.639 -6.533 2.318 1.00 0.00 H new ATOM 653 N HIS A 43 -4.053 -0.862 4.456 1.00 0.00 N ATOM 654 CA HIS A 43 -2.717 -0.793 3.877 1.00 0.00 C ATOM 655 C HIS A 43 -1.626 -1.102 4.906 1.00 0.00 C ATOM 656 O HIS A 43 -0.640 -1.765 4.584 1.00 0.00 O ATOM 657 CB HIS A 43 -2.485 0.585 3.254 1.00 0.00 C ATOM 658 CG HIS A 43 -2.026 0.526 1.830 1.00 0.00 C ATOM 659 ND1 HIS A 43 -2.855 0.730 0.746 1.00 0.00 N ATOM 660 CD2 HIS A 43 -0.793 0.281 1.317 1.00 0.00 C ATOM 661 CE1 HIS A 43 -2.115 0.605 -0.364 1.00 0.00 C ATOM 662 NE2 HIS A 43 -0.857 0.334 -0.073 1.00 0.00 N ATOM 0 H HIS A 43 -4.531 0.037 4.518 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.656 -1.556 3.101 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.410 1.159 3.306 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.743 1.122 3.845 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.096 0.077 1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.499 0.712 -1.368 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.090 0.193 -0.730 1.00 0.00 H new ATOM 670 N SER A 44 -1.793 -0.620 6.137 1.00 0.00 N ATOM 671 CA SER A 44 -0.800 -0.858 7.185 1.00 0.00 C ATOM 672 C SER A 44 -0.656 -2.347 7.468 1.00 0.00 C ATOM 673 O SER A 44 0.454 -2.862 7.612 1.00 0.00 O ATOM 674 CB SER A 44 -1.193 -0.124 8.471 1.00 0.00 C ATOM 675 OG SER A 44 -2.599 -0.109 8.642 1.00 0.00 O ATOM 0 H SER A 44 -2.598 -0.068 6.432 1.00 0.00 H new ATOM 0 HA SER A 44 0.158 -0.475 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.725 -0.609 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.817 0.899 8.439 1.00 0.00 H new ATOM 0 HG SER A 44 -2.987 -0.910 8.232 1.00 0.00 H new ATOM 681 N LEU A 45 -1.788 -3.036 7.547 1.00 0.00 N ATOM 682 CA LEU A 45 -1.788 -4.466 7.814 1.00 0.00 C ATOM 683 C LEU A 45 -1.008 -5.200 6.728 1.00 0.00 C ATOM 684 O LEU A 45 -0.296 -6.166 7.001 1.00 0.00 O ATOM 685 CB LEU A 45 -3.230 -4.982 7.887 1.00 0.00 C ATOM 686 CG LEU A 45 -4.023 -4.518 9.114 1.00 0.00 C ATOM 687 CD1 LEU A 45 -5.498 -4.363 8.774 1.00 0.00 C ATOM 688 CD2 LEU A 45 -3.843 -5.493 10.267 1.00 0.00 C ATOM 0 H LEU A 45 -2.715 -2.627 7.430 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.303 -4.653 8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.760 -4.664 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.211 -6.072 7.876 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.638 -3.546 9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.043 -4.033 9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.613 -3.624 7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.897 -5.320 8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.413 -5.147 11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.199 -6.479 9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.787 -5.553 10.531 1.00 0.00 H new ATOM 700 N SER A 46 -1.138 -4.719 5.495 1.00 0.00 N ATOM 701 CA SER A 46 -0.438 -5.303 4.357 1.00 0.00 C ATOM 702 C SER A 46 1.072 -5.298 4.571 1.00 0.00 C ATOM 703 O SER A 46 1.785 -6.144 4.032 1.00 0.00 O ATOM 704 CB SER A 46 -0.768 -4.526 3.083 1.00 0.00 C ATOM 705 OG SER A 46 -2.115 -4.090 3.084 1.00 0.00 O ATOM 0 H SER A 46 -1.726 -3.920 5.258 1.00 0.00 H new ATOM 0 HA SER A 46 -0.771 -6.336 4.258 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.105 -3.666 2.996 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.588 -5.156 2.212 1.00 0.00 H new ATOM 0 HG SER A 46 -2.657 -4.703 3.623 1.00 0.00 H new ATOM 711 N GLU A 47 1.558 -4.333 5.350 1.00 0.00 N ATOM 712 CA GLU A 47 2.987 -4.214 5.618 1.00 0.00 C ATOM 713 C GLU A 47 3.407 -5.064 6.814 1.00 0.00 C ATOM 714 O GLU A 47 4.584 -5.389 6.969 1.00 0.00 O ATOM 715 CB GLU A 47 3.355 -2.747 5.853 1.00 0.00 C ATOM 716 CG GLU A 47 3.558 -1.962 4.566 1.00 0.00 C ATOM 717 CD GLU A 47 3.481 -0.461 4.770 1.00 0.00 C ATOM 718 OE1 GLU A 47 2.714 -0.018 5.652 1.00 0.00 O ATOM 719 OE2 GLU A 47 4.188 0.272 4.047 1.00 0.00 O ATOM 0 H GLU A 47 0.983 -3.624 5.805 1.00 0.00 H new ATOM 0 HA GLU A 47 3.524 -4.585 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.568 -2.272 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.268 -2.700 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.529 -2.216 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.803 -2.264 3.840 1.00 0.00 H new ATOM 726 N LYS A 48 2.443 -5.433 7.650 1.00 0.00 N ATOM 727 CA LYS A 48 2.732 -6.256 8.820 1.00 0.00 C ATOM 728 C LYS A 48 2.489 -7.730 8.503 1.00 0.00 C ATOM 729 O LYS A 48 2.997 -8.617 9.190 1.00 0.00 O ATOM 730 CB LYS A 48 1.862 -5.823 10.003 1.00 0.00 C ATOM 731 CG LYS A 48 2.132 -6.605 11.278 1.00 0.00 C ATOM 732 CD LYS A 48 1.163 -6.221 12.385 1.00 0.00 C ATOM 733 CE LYS A 48 0.015 -7.212 12.490 1.00 0.00 C ATOM 734 NZ LYS A 48 0.382 -8.404 13.303 1.00 0.00 N ATOM 0 H LYS A 48 1.461 -5.178 7.541 1.00 0.00 H new ATOM 0 HA LYS A 48 3.780 -6.122 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.027 -4.763 10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.812 -5.938 9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.049 -7.673 11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.154 -6.422 11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.694 -6.176 13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.767 -5.223 12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.849 -6.720 12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.281 -7.531 11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.428 -9.055 13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.191 -8.888 12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.640 -8.102 14.264 1.00 0.00 H new ATOM 748 N TYR A 49 1.710 -7.977 7.454 1.00 0.00 N ATOM 749 CA TYR A 49 1.387 -9.334 7.024 1.00 0.00 C ATOM 750 C TYR A 49 2.267 -9.756 5.848 1.00 0.00 C ATOM 751 O TYR A 49 1.938 -9.483 4.694 1.00 0.00 O ATOM 752 CB TYR A 49 -0.083 -9.411 6.613 1.00 0.00 C ATOM 753 CG TYR A 49 -1.024 -9.701 7.759 1.00 0.00 C ATOM 754 CD1 TYR A 49 -1.504 -8.679 8.566 1.00 0.00 C ATOM 755 CD2 TYR A 49 -1.429 -11.001 8.034 1.00 0.00 C ATOM 756 CE1 TYR A 49 -2.364 -8.942 9.616 1.00 0.00 C ATOM 757 CE2 TYR A 49 -2.289 -11.272 9.081 1.00 0.00 C ATOM 758 CZ TYR A 49 -2.753 -10.240 9.869 1.00 0.00 C ATOM 759 OH TYR A 49 -3.611 -10.506 10.911 1.00 0.00 O ATOM 0 H TYR A 49 1.287 -7.247 6.881 1.00 0.00 H new ATOM 0 HA TYR A 49 1.572 -10.011 7.858 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.371 -8.467 6.149 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.198 -10.186 5.856 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.201 -7.661 8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.066 -11.812 7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.729 -8.135 10.234 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.596 -12.288 9.281 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.503 -10.161 10.697 1.00 0.00 H new ATOM 769 N SER A 50 3.379 -10.425 6.139 1.00 0.00 N ATOM 770 CA SER A 50 4.289 -10.879 5.090 1.00 0.00 C ATOM 771 C SER A 50 3.924 -12.289 4.626 1.00 0.00 C ATOM 772 O SER A 50 4.779 -13.170 4.533 1.00 0.00 O ATOM 773 CB SER A 50 5.737 -10.834 5.583 1.00 0.00 C ATOM 774 OG SER A 50 6.649 -11.000 4.509 1.00 0.00 O ATOM 0 H SER A 50 3.671 -10.664 7.087 1.00 0.00 H new ATOM 0 HA SER A 50 4.191 -10.206 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.925 -9.882 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.896 -11.618 6.324 1.00 0.00 H new ATOM 0 HG SER A 50 6.452 -11.837 4.039 1.00 0.00 H new ATOM 780 N ASN A 51 2.642 -12.483 4.328 1.00 0.00 N ATOM 781 CA ASN A 51 2.136 -13.769 3.861 1.00 0.00 C ATOM 782 C ASN A 51 0.910 -13.572 2.970 1.00 0.00 C ATOM 783 O ASN A 51 0.771 -14.211 1.927 1.00 0.00 O ATOM 784 CB ASN A 51 1.772 -14.665 5.046 1.00 0.00 C ATOM 785 CG ASN A 51 1.524 -16.102 4.629 1.00 0.00 C ATOM 786 OD1 ASN A 51 0.966 -16.365 3.564 1.00 0.00 O ATOM 787 ND2 ASN A 51 1.936 -17.043 5.471 1.00 0.00 N ATOM 0 H ASN A 51 1.929 -11.757 4.403 1.00 0.00 H new ATOM 0 HA ASN A 51 2.923 -14.251 3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.577 -14.636 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.880 -14.272 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.794 -18.027 5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.394 -16.781 6.344 1.00 0.00 H new ATOM 794 N VAL A 52 0.017 -12.688 3.411 1.00 0.00 N ATOM 795 CA VAL A 52 -1.218 -12.402 2.686 1.00 0.00 C ATOM 796 C VAL A 52 -1.056 -11.233 1.726 1.00 0.00 C ATOM 797 O VAL A 52 -0.218 -10.355 1.929 1.00 0.00 O ATOM 798 CB VAL A 52 -2.359 -12.069 3.669 1.00 0.00 C ATOM 799 CG1 VAL A 52 -2.478 -13.145 4.732 1.00 0.00 C ATOM 800 CG2 VAL A 52 -2.137 -10.707 4.315 1.00 0.00 C ATOM 0 H VAL A 52 0.128 -12.154 4.273 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.459 -13.298 2.115 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.292 -12.033 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.288 -12.893 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.689 -14.103 4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.542 -13.213 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.954 -10.494 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.194 -10.713 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.104 -9.939 3.542 1.00 0.00 H new ATOM 810 N ILE A 53 -1.874 -11.229 0.682 1.00 0.00 N ATOM 811 CA ILE A 53 -1.837 -10.169 -0.310 1.00 0.00 C ATOM 812 C ILE A 53 -3.029 -9.232 -0.139 1.00 0.00 C ATOM 813 O ILE A 53 -4.180 -9.630 -0.316 1.00 0.00 O ATOM 814 CB ILE A 53 -1.789 -10.750 -1.750 1.00 0.00 C ATOM 815 CG1 ILE A 53 -1.212 -9.726 -2.724 1.00 0.00 C ATOM 816 CG2 ILE A 53 -3.159 -11.215 -2.225 1.00 0.00 C ATOM 817 CD1 ILE A 53 0.296 -9.612 -2.655 1.00 0.00 C ATOM 0 H ILE A 53 -2.572 -11.951 0.502 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.925 -9.593 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.137 -11.623 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.502 -9.998 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.652 -8.751 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.078 -11.614 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.531 -11.992 -1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.851 -10.372 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.638 -8.867 -3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.592 -9.310 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.745 -10.577 -2.891 1.00 0.00 H new ATOM 829 N PHE A 54 -2.735 -7.986 0.220 1.00 0.00 N ATOM 830 CA PHE A 54 -3.765 -6.976 0.431 1.00 0.00 C ATOM 831 C PHE A 54 -3.947 -6.153 -0.839 1.00 0.00 C ATOM 832 O PHE A 54 -3.034 -5.432 -1.237 1.00 0.00 O ATOM 833 CB PHE A 54 -3.338 -6.011 1.548 1.00 0.00 C ATOM 834 CG PHE A 54 -3.721 -6.392 2.956 1.00 0.00 C ATOM 835 CD1 PHE A 54 -3.244 -7.548 3.562 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.547 -5.552 3.689 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.592 -7.852 4.869 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.898 -5.856 4.989 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.420 -7.006 5.580 1.00 0.00 C ATOM 0 H PHE A 54 -1.784 -7.650 0.372 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.691 -7.485 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.254 -5.902 1.508 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.765 -5.031 1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.597 -8.215 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.921 -4.646 3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.215 -8.752 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.547 -5.193 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.693 -7.245 6.597 1.00 0.00 H new ATOM 849 N LEU A 55 -5.118 -6.221 -1.462 1.00 0.00 N ATOM 850 CA LEU A 55 -5.349 -5.431 -2.659 1.00 0.00 C ATOM 851 C LEU A 55 -6.626 -4.626 -2.553 1.00 0.00 C ATOM 852 O LEU A 55 -7.436 -4.829 -1.648 1.00 0.00 O ATOM 853 CB LEU A 55 -5.305 -6.285 -3.931 1.00 0.00 C ATOM 854 CG LEU A 55 -6.639 -6.641 -4.596 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.854 -5.777 -5.829 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.650 -8.113 -4.983 1.00 0.00 C ATOM 0 H LEU A 55 -5.903 -6.801 -1.165 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.528 -4.719 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.693 -5.761 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.790 -7.216 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.448 -6.454 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.805 -6.037 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.868 -4.726 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.044 -5.947 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.601 -8.358 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.837 -8.312 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.520 -8.725 -4.090 1.00 0.00 H new ATOM 868 N GLU A 56 -6.766 -3.670 -3.452 1.00 0.00 N ATOM 869 CA GLU A 56 -7.904 -2.777 -3.431 1.00 0.00 C ATOM 870 C GLU A 56 -8.757 -2.879 -4.680 1.00 0.00 C ATOM 871 O GLU A 56 -8.292 -2.604 -5.785 1.00 0.00 O ATOM 872 CB GLU A 56 -7.380 -1.360 -3.312 1.00 0.00 C ATOM 873 CG GLU A 56 -8.196 -0.465 -2.396 1.00 0.00 C ATOM 874 CD GLU A 56 -7.822 0.998 -2.528 1.00 0.00 C ATOM 875 OE1 GLU A 56 -6.702 1.365 -2.118 1.00 0.00 O ATOM 876 OE2 GLU A 56 -8.649 1.777 -3.048 1.00 0.00 O ATOM 0 H GLU A 56 -6.103 -3.493 -4.207 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.536 -3.055 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.354 -1.394 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.350 -0.912 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.255 -0.588 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.053 -0.781 -1.363 1.00 0.00 H new ATOM 883 N VAL A 57 -10.014 -3.247 -4.496 1.00 0.00 N ATOM 884 CA VAL A 57 -10.932 -3.350 -5.614 1.00 0.00 C ATOM 885 C VAL A 57 -12.041 -2.317 -5.489 1.00 0.00 C ATOM 886 O VAL A 57 -12.819 -2.330 -4.538 1.00 0.00 O ATOM 887 CB VAL A 57 -11.561 -4.747 -5.731 1.00 0.00 C ATOM 888 CG1 VAL A 57 -12.102 -4.933 -7.131 1.00 0.00 C ATOM 889 CG2 VAL A 57 -10.554 -5.838 -5.401 1.00 0.00 C ATOM 0 H VAL A 57 -10.419 -3.478 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.346 -3.166 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.375 -4.826 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.550 -5.923 -7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.858 -4.174 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.289 -4.837 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.031 -6.814 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.713 -5.778 -6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.195 -5.705 -4.381 1.00 0.00 H new ATOM 899 N ASP A 58 -12.104 -1.416 -6.460 1.00 0.00 N ATOM 900 CA ASP A 58 -13.114 -0.367 -6.468 1.00 0.00 C ATOM 901 C ASP A 58 -14.279 -0.783 -7.358 1.00 0.00 C ATOM 902 O ASP A 58 -14.104 -1.013 -8.554 1.00 0.00 O ATOM 903 CB ASP A 58 -12.499 0.944 -6.963 1.00 0.00 C ATOM 904 CG ASP A 58 -13.505 2.078 -7.035 1.00 0.00 C ATOM 905 OD1 ASP A 58 -14.605 1.934 -6.462 1.00 0.00 O ATOM 906 OD2 ASP A 58 -13.190 3.111 -7.664 1.00 0.00 O ATOM 0 H ASP A 58 -11.465 -1.391 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.486 -0.213 -5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.683 1.230 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.066 0.786 -7.951 1.00 0.00 H new ATOM 911 N VAL A 59 -15.462 -0.910 -6.766 1.00 0.00 N ATOM 912 CA VAL A 59 -16.640 -1.329 -7.509 1.00 0.00 C ATOM 913 C VAL A 59 -16.979 -0.350 -8.630 1.00 0.00 C ATOM 914 O VAL A 59 -17.683 -0.703 -9.576 1.00 0.00 O ATOM 915 CB VAL A 59 -17.856 -1.510 -6.579 1.00 0.00 C ATOM 916 CG1 VAL A 59 -18.246 -0.191 -5.931 1.00 0.00 C ATOM 917 CG2 VAL A 59 -19.028 -2.112 -7.335 1.00 0.00 C ATOM 0 H VAL A 59 -15.628 -0.729 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.402 -2.292 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.575 -2.202 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.106 -0.346 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -17.409 0.187 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -18.502 0.533 -6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.875 -2.231 -6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.309 -1.452 -8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.743 -3.086 -7.733 1.00 0.00 H new ATOM 927 N ASP A 60 -16.458 0.870 -8.541 1.00 0.00 N ATOM 928 CA ASP A 60 -16.697 1.864 -9.578 1.00 0.00 C ATOM 929 C ASP A 60 -16.091 1.386 -10.892 1.00 0.00 C ATOM 930 O ASP A 60 -16.679 1.548 -11.961 1.00 0.00 O ATOM 931 CB ASP A 60 -16.091 3.213 -9.184 1.00 0.00 C ATOM 932 CG ASP A 60 -16.859 4.388 -9.759 1.00 0.00 C ATOM 933 OD1 ASP A 60 -18.083 4.468 -9.527 1.00 0.00 O ATOM 934 OD2 ASP A 60 -16.235 5.227 -10.443 1.00 0.00 O ATOM 0 H ASP A 60 -15.873 1.191 -7.769 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.773 1.993 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.070 3.294 -8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.057 3.257 -9.527 1.00 0.00 H new ATOM 939 N ASP A 61 -14.910 0.786 -10.792 1.00 0.00 N ATOM 940 CA ASP A 61 -14.204 0.263 -11.956 1.00 0.00 C ATOM 941 C ASP A 61 -14.406 -1.245 -12.079 1.00 0.00 C ATOM 942 O ASP A 61 -14.472 -1.788 -13.183 1.00 0.00 O ATOM 943 CB ASP A 61 -12.714 0.588 -11.855 1.00 0.00 C ATOM 944 CG ASP A 61 -12.449 2.080 -11.913 1.00 0.00 C ATOM 945 OD1 ASP A 61 -12.534 2.654 -13.018 1.00 0.00 O ATOM 946 OD2 ASP A 61 -12.160 2.674 -10.852 1.00 0.00 O ATOM 0 H ASP A 61 -14.418 0.649 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.612 0.737 -12.848 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.318 0.186 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.180 0.094 -12.667 1.00 0.00 H new ATOM 951 N ALA A 62 -14.501 -1.914 -10.935 1.00 0.00 N ATOM 952 CA ALA A 62 -14.696 -3.357 -10.898 1.00 0.00 C ATOM 953 C ALA A 62 -16.177 -3.698 -10.763 1.00 0.00 C ATOM 954 O ALA A 62 -16.566 -4.557 -9.966 1.00 0.00 O ATOM 955 CB ALA A 62 -13.895 -3.965 -9.756 1.00 0.00 C ATOM 0 H ALA A 62 -14.446 -1.475 -10.016 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.338 -3.781 -11.836 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.048 -5.044 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.836 -3.751 -9.900 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.226 -3.536 -8.810 1.00 0.00 H new ATOM 961 N GLN A 63 -17.000 -3.013 -11.551 1.00 0.00 N ATOM 962 CA GLN A 63 -18.441 -3.227 -11.530 1.00 0.00 C ATOM 963 C GLN A 63 -18.807 -4.576 -12.144 1.00 0.00 C ATOM 964 O GLN A 63 -19.957 -5.010 -12.065 1.00 0.00 O ATOM 965 CB GLN A 63 -19.151 -2.103 -12.285 1.00 0.00 C ATOM 966 CG GLN A 63 -20.514 -1.754 -11.715 1.00 0.00 C ATOM 967 CD GLN A 63 -21.631 -2.547 -12.364 1.00 0.00 C ATOM 968 OE1 GLN A 63 -22.299 -3.349 -11.710 1.00 0.00 O ATOM 969 NE2 GLN A 63 -21.844 -2.325 -13.656 1.00 0.00 N ATOM 0 H GLN A 63 -16.691 -2.302 -12.214 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.767 -3.225 -10.490 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.522 -1.213 -12.271 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -19.267 -2.395 -13.329 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -20.515 -1.942 -10.641 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -20.701 -0.689 -11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -21.267 -1.652 -14.160 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -22.585 -2.828 -14.145 1.00 0.00 H new ATOM 978 N ASP A 64 -17.829 -5.235 -12.760 1.00 0.00 N ATOM 979 CA ASP A 64 -18.059 -6.527 -13.389 1.00 0.00 C ATOM 980 C ASP A 64 -17.715 -7.676 -12.445 1.00 0.00 C ATOM 981 O ASP A 64 -18.206 -8.791 -12.617 1.00 0.00 O ATOM 982 CB ASP A 64 -17.236 -6.643 -14.673 1.00 0.00 C ATOM 983 CG ASP A 64 -18.004 -6.182 -15.895 1.00 0.00 C ATOM 984 OD1 ASP A 64 -18.454 -5.017 -15.911 1.00 0.00 O ATOM 985 OD2 ASP A 64 -18.156 -6.988 -16.838 1.00 0.00 O ATOM 0 H ASP A 64 -16.871 -4.893 -12.836 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.119 -6.595 -13.632 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -16.327 -6.050 -14.573 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -16.927 -7.679 -14.811 1.00 0.00 H new ATOM 990 N VAL A 65 -16.878 -7.407 -11.443 1.00 0.00 N ATOM 991 CA VAL A 65 -16.499 -8.444 -10.489 1.00 0.00 C ATOM 992 C VAL A 65 -17.582 -8.637 -9.433 1.00 0.00 C ATOM 993 O VAL A 65 -17.955 -9.768 -9.122 1.00 0.00 O ATOM 994 CB VAL A 65 -15.140 -8.168 -9.803 1.00 0.00 C ATOM 995 CG1 VAL A 65 -13.994 -8.576 -10.715 1.00 0.00 C ATOM 996 CG2 VAL A 65 -15.001 -6.711 -9.396 1.00 0.00 C ATOM 0 H VAL A 65 -16.456 -6.494 -11.274 1.00 0.00 H new ATOM 0 HA VAL A 65 -16.389 -9.361 -11.069 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.101 -8.769 -8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.045 -8.376 -10.218 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.069 -9.640 -10.939 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.046 -8.005 -11.642 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.034 -6.558 -8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -15.073 -6.078 -10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -15.796 -6.451 -8.698 1.00 0.00 H new ATOM 1006 N ALA A 66 -18.078 -7.537 -8.864 1.00 0.00 N ATOM 1007 CA ALA A 66 -19.104 -7.611 -7.823 1.00 0.00 C ATOM 1008 C ALA A 66 -20.273 -8.505 -8.235 1.00 0.00 C ATOM 1009 O ALA A 66 -20.587 -9.480 -7.549 1.00 0.00 O ATOM 1010 CB ALA A 66 -19.607 -6.211 -7.505 1.00 0.00 C ATOM 0 H ALA A 66 -17.788 -6.589 -9.105 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.651 -8.054 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.371 -6.266 -6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.777 -5.597 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.033 -5.765 -8.403 1.00 0.00 H new ATOM 1016 N PRO A 67 -20.934 -8.193 -9.358 1.00 0.00 N ATOM 1017 CA PRO A 67 -22.068 -8.982 -9.851 1.00 0.00 C ATOM 1018 C PRO A 67 -21.738 -10.468 -9.921 1.00 0.00 C ATOM 1019 O PRO A 67 -22.616 -11.322 -9.786 1.00 0.00 O ATOM 1020 CB PRO A 67 -22.312 -8.412 -11.249 1.00 0.00 C ATOM 1021 CG PRO A 67 -21.812 -7.011 -11.163 1.00 0.00 C ATOM 1022 CD PRO A 67 -20.632 -7.053 -10.240 1.00 0.00 C ATOM 0 HA PRO A 67 -22.938 -8.914 -9.197 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -21.777 -8.980 -12.010 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -23.369 -8.442 -11.513 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -21.526 -6.637 -12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -22.584 -6.343 -10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -19.700 -7.202 -10.785 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -20.528 -6.125 -9.677 1.00 0.00 H new ATOM 1030 N LYS A 68 -20.460 -10.767 -10.118 1.00 0.00 N ATOM 1031 CA LYS A 68 -19.998 -12.146 -10.192 1.00 0.00 C ATOM 1032 C LYS A 68 -19.961 -12.787 -8.804 1.00 0.00 C ATOM 1033 O LYS A 68 -20.008 -14.010 -8.677 1.00 0.00 O ATOM 1034 CB LYS A 68 -18.609 -12.203 -10.833 1.00 0.00 C ATOM 1035 CG LYS A 68 -18.508 -13.209 -11.969 1.00 0.00 C ATOM 1036 CD LYS A 68 -17.341 -12.896 -12.892 1.00 0.00 C ATOM 1037 CE LYS A 68 -17.256 -13.892 -14.038 1.00 0.00 C ATOM 1038 NZ LYS A 68 -16.292 -14.989 -13.753 1.00 0.00 N ATOM 0 H LYS A 68 -19.724 -10.070 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.700 -12.707 -10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.350 -11.214 -11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.874 -12.455 -10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.389 -14.212 -11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.436 -13.207 -12.541 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.452 -11.888 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.411 -12.913 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.243 -14.316 -14.224 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.956 -13.373 -14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.265 -15.645 -14.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.345 -14.588 -13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.592 -15.502 -12.899 1.00 0.00 H new ATOM 1052 N TYR A 69 -19.867 -11.951 -7.766 1.00 0.00 N ATOM 1053 CA TYR A 69 -19.811 -12.428 -6.378 1.00 0.00 C ATOM 1054 C TYR A 69 -21.081 -12.074 -5.604 1.00 0.00 C ATOM 1055 O TYR A 69 -21.258 -12.487 -4.458 1.00 0.00 O ATOM 1056 CB TYR A 69 -18.620 -11.790 -5.670 1.00 0.00 C ATOM 1057 CG TYR A 69 -17.278 -12.269 -6.173 1.00 0.00 C ATOM 1058 CD1 TYR A 69 -16.844 -13.567 -5.936 1.00 0.00 C ATOM 1059 CD2 TYR A 69 -16.447 -11.419 -6.889 1.00 0.00 C ATOM 1060 CE1 TYR A 69 -15.618 -14.004 -6.402 1.00 0.00 C ATOM 1061 CE2 TYR A 69 -15.220 -11.846 -7.358 1.00 0.00 C ATOM 1062 CZ TYR A 69 -14.810 -13.140 -7.111 1.00 0.00 C ATOM 1063 OH TYR A 69 -13.589 -13.568 -7.574 1.00 0.00 O ATOM 0 H TYR A 69 -19.828 -10.936 -7.860 1.00 0.00 H new ATOM 0 HA TYR A 69 -19.713 -13.513 -6.406 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.676 -10.708 -5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.691 -11.997 -4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.474 -14.245 -5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.765 -10.405 -7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.295 -15.017 -6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.586 -11.172 -7.914 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.931 -13.524 -6.849 1.00 0.00 H new ATOM 1073 N GLY A 70 -21.961 -11.322 -6.243 1.00 0.00 N ATOM 1074 CA GLY A 70 -23.210 -10.930 -5.615 1.00 0.00 C ATOM 1075 C GLY A 70 -23.028 -9.993 -4.432 1.00 0.00 C ATOM 1076 O GLY A 70 -23.789 -10.059 -3.468 1.00 0.00 O ATOM 0 H GLY A 70 -21.834 -10.972 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.844 -10.445 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.736 -11.825 -5.282 1.00 0.00 H new ATOM 1080 N ILE A 71 -22.036 -9.107 -4.499 1.00 0.00 N ATOM 1081 CA ILE A 71 -21.798 -8.157 -3.414 1.00 0.00 C ATOM 1082 C ILE A 71 -22.851 -7.050 -3.436 1.00 0.00 C ATOM 1083 O ILE A 71 -23.139 -6.482 -4.489 1.00 0.00 O ATOM 1084 CB ILE A 71 -20.393 -7.516 -3.500 1.00 0.00 C ATOM 1085 CG1 ILE A 71 -19.303 -8.588 -3.464 1.00 0.00 C ATOM 1086 CG2 ILE A 71 -20.192 -6.524 -2.361 1.00 0.00 C ATOM 1087 CD1 ILE A 71 -17.930 -8.063 -3.825 1.00 0.00 C ATOM 0 H ILE A 71 -21.390 -9.027 -5.284 1.00 0.00 H new ATOM 0 HA ILE A 71 -21.863 -8.718 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 71 -20.320 -6.983 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -19.266 -9.024 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -19.570 -9.390 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -19.199 -6.081 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.945 -5.739 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -20.288 -7.042 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -17.206 -8.876 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -17.951 -7.653 -4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -17.643 -7.281 -3.122 1.00 0.00 H new ATOM 1099 N ARG A 72 -23.423 -6.749 -2.274 1.00 0.00 N ATOM 1100 CA ARG A 72 -24.446 -5.711 -2.178 1.00 0.00 C ATOM 1101 C ARG A 72 -24.435 -5.050 -0.802 1.00 0.00 C ATOM 1102 O ARG A 72 -25.476 -4.909 -0.159 1.00 0.00 O ATOM 1103 CB ARG A 72 -25.827 -6.303 -2.469 1.00 0.00 C ATOM 1104 CG ARG A 72 -26.884 -5.256 -2.784 1.00 0.00 C ATOM 1105 CD ARG A 72 -26.560 -4.501 -4.064 1.00 0.00 C ATOM 1106 NE ARG A 72 -27.762 -4.007 -4.730 1.00 0.00 N ATOM 1107 CZ ARG A 72 -28.603 -4.780 -5.416 1.00 0.00 C ATOM 1108 NH1 ARG A 72 -28.379 -6.083 -5.524 1.00 0.00 N ATOM 1109 NH2 ARG A 72 -29.670 -4.248 -5.995 1.00 0.00 N ATOM 0 H ARG A 72 -23.198 -7.206 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 72 -24.222 -4.946 -2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -25.748 -6.992 -3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -26.151 -6.887 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -27.857 -5.738 -2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -26.959 -4.552 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.903 -3.662 -3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -26.014 -5.156 -4.742 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.970 -3.011 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -27.560 -6.498 -5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -29.026 -6.670 -6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -29.847 -3.247 -5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -30.314 -4.840 -6.520 1.00 0.00 H new ATOM 1123 N GLY A 73 -23.248 -4.649 -0.359 1.00 0.00 N ATOM 1124 CA GLY A 73 -23.115 -4.006 0.935 1.00 0.00 C ATOM 1125 C GLY A 73 -21.701 -3.525 1.200 1.00 0.00 C ATOM 1126 O GLY A 73 -20.835 -4.310 1.586 1.00 0.00 O ATOM 0 H GLY A 73 -22.374 -4.758 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.800 -3.160 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -23.410 -4.705 1.717 1.00 0.00 H new ATOM 1130 N ILE A 74 -21.463 -2.233 0.991 1.00 0.00 N ATOM 1131 CA ILE A 74 -20.140 -1.656 1.208 1.00 0.00 C ATOM 1132 C ILE A 74 -20.074 -0.918 2.544 1.00 0.00 C ATOM 1133 O ILE A 74 -21.086 -0.414 3.030 1.00 0.00 O ATOM 1134 CB ILE A 74 -19.758 -0.684 0.071 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -20.865 0.351 -0.151 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -19.488 -1.458 -1.211 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -20.341 1.727 -0.504 1.00 0.00 C ATOM 0 H ILE A 74 -22.167 -1.567 0.672 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.430 -2.483 1.220 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.850 -0.154 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -21.521 0.005 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -21.472 0.422 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.220 -0.763 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.668 -2.157 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -20.383 -2.010 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -21.179 2.410 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -19.708 2.094 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -19.758 1.670 -1.423 1.00 0.00 H new ATOM 1149 N PRO A 75 -18.879 -0.842 3.165 1.00 0.00 N ATOM 1150 CA PRO A 75 -17.637 -1.421 2.633 1.00 0.00 C ATOM 1151 C PRO A 75 -17.546 -2.931 2.855 1.00 0.00 C ATOM 1152 O PRO A 75 -17.438 -3.389 3.992 1.00 0.00 O ATOM 1153 CB PRO A 75 -16.530 -0.714 3.439 1.00 0.00 C ATOM 1154 CG PRO A 75 -17.221 0.285 4.316 1.00 0.00 C ATOM 1155 CD PRO A 75 -18.645 -0.169 4.443 1.00 0.00 C ATOM 0 HA PRO A 75 -17.567 -1.280 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -15.966 -1.431 4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -15.819 -0.222 2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.743 0.338 5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.170 1.283 3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.782 -0.844 5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -19.326 0.669 4.591 1.00 0.00 H new ATOM 1163 N THR A 76 -17.578 -3.702 1.769 1.00 0.00 N ATOM 1164 CA THR A 76 -17.480 -5.155 1.867 1.00 0.00 C ATOM 1165 C THR A 76 -16.028 -5.619 1.883 1.00 0.00 C ATOM 1166 O THR A 76 -15.214 -5.174 1.073 1.00 0.00 O ATOM 1167 CB THR A 76 -18.209 -5.832 0.701 1.00 0.00 C ATOM 1168 OG1 THR A 76 -19.055 -4.916 0.031 1.00 0.00 O ATOM 1169 CG2 THR A 76 -19.055 -7.012 1.130 1.00 0.00 C ATOM 0 H THR A 76 -17.670 -3.346 0.817 1.00 0.00 H new ATOM 0 HA THR A 76 -17.951 -5.442 2.807 1.00 0.00 H new ATOM 0 HB THR A 76 -17.420 -6.190 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.973 -5.019 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.544 -7.446 0.258 1.00 0.00 H new ATOM 0 HG22 THR A 76 -18.420 -7.763 1.601 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.811 -6.678 1.841 1.00 0.00 H new ATOM 1177 N LEU A 77 -15.719 -6.541 2.780 1.00 0.00 N ATOM 1178 CA LEU A 77 -14.380 -7.098 2.864 1.00 0.00 C ATOM 1179 C LEU A 77 -14.419 -8.518 2.327 1.00 0.00 C ATOM 1180 O LEU A 77 -15.237 -9.333 2.756 1.00 0.00 O ATOM 1181 CB LEU A 77 -13.860 -7.065 4.307 1.00 0.00 C ATOM 1182 CG LEU A 77 -12.557 -6.285 4.508 1.00 0.00 C ATOM 1183 CD1 LEU A 77 -12.834 -4.793 4.614 1.00 0.00 C ATOM 1184 CD2 LEU A 77 -11.824 -6.779 5.746 1.00 0.00 C ATOM 0 H LEU A 77 -16.378 -6.919 3.460 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.693 -6.499 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.629 -6.629 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.708 -8.090 4.646 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.921 -6.455 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.895 -4.258 4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.314 -4.446 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.491 -4.604 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.901 -6.213 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.457 -6.641 6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.588 -7.837 5.631 1.00 0.00 H new ATOM 1196 N LEU A 78 -13.558 -8.801 1.361 1.00 0.00 N ATOM 1197 CA LEU A 78 -13.528 -10.116 0.740 1.00 0.00 C ATOM 1198 C LEU A 78 -12.200 -10.822 0.980 1.00 0.00 C ATOM 1199 O LEU A 78 -11.130 -10.225 0.862 1.00 0.00 O ATOM 1200 CB LEU A 78 -13.772 -9.990 -0.771 1.00 0.00 C ATOM 1201 CG LEU A 78 -15.239 -9.914 -1.224 1.00 0.00 C ATOM 1202 CD1 LEU A 78 -15.347 -10.210 -2.712 1.00 0.00 C ATOM 1203 CD2 LEU A 78 -16.115 -10.874 -0.432 1.00 0.00 C ATOM 0 H LEU A 78 -12.874 -8.141 0.992 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.318 -10.712 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.258 -9.097 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.306 -10.843 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.595 -8.901 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.391 -10.153 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.763 -9.479 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.964 -11.211 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.146 -10.795 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.761 -11.894 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.067 -10.621 0.627 1.00 0.00 H new ATOM 1215 N LEU A 79 -12.283 -12.104 1.307 1.00 0.00 N ATOM 1216 CA LEU A 79 -11.101 -12.913 1.553 1.00 0.00 C ATOM 1217 C LEU A 79 -11.028 -14.039 0.531 1.00 0.00 C ATOM 1218 O LEU A 79 -11.964 -14.828 0.401 1.00 0.00 O ATOM 1219 CB LEU A 79 -11.138 -13.486 2.971 1.00 0.00 C ATOM 1220 CG LEU A 79 -10.385 -12.673 4.026 1.00 0.00 C ATOM 1221 CD1 LEU A 79 -8.886 -12.743 3.787 1.00 0.00 C ATOM 1222 CD2 LEU A 79 -10.860 -11.227 4.028 1.00 0.00 C ATOM 0 H LEU A 79 -13.164 -12.608 1.408 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.214 -12.287 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.179 -13.577 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.723 -14.494 2.949 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.596 -13.104 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.369 -12.158 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.557 -13.781 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.656 -12.340 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.313 -10.665 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.682 -10.784 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.926 -11.195 4.252 1.00 0.00 H new ATOM 1234 N PHE A 80 -9.924 -14.100 -0.202 1.00 0.00 N ATOM 1235 CA PHE A 80 -9.749 -15.119 -1.229 1.00 0.00 C ATOM 1236 C PHE A 80 -8.628 -16.089 -0.865 1.00 0.00 C ATOM 1237 O PHE A 80 -7.627 -15.704 -0.262 1.00 0.00 O ATOM 1238 CB PHE A 80 -9.457 -14.445 -2.572 1.00 0.00 C ATOM 1239 CG PHE A 80 -10.681 -13.893 -3.239 1.00 0.00 C ATOM 1240 CD1 PHE A 80 -11.170 -12.645 -2.888 1.00 0.00 C ATOM 1241 CD2 PHE A 80 -11.346 -14.620 -4.215 1.00 0.00 C ATOM 1242 CE1 PHE A 80 -12.299 -12.130 -3.495 1.00 0.00 C ATOM 1243 CE2 PHE A 80 -12.477 -14.110 -4.827 1.00 0.00 C ATOM 1244 CZ PHE A 80 -12.954 -12.864 -4.466 1.00 0.00 C ATOM 0 H PHE A 80 -9.138 -13.458 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.671 -15.696 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.741 -13.638 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.984 -15.167 -3.237 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.662 -12.067 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.977 -15.594 -4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.669 -11.156 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -12.987 -14.685 -5.586 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.837 -12.464 -4.942 1.00 0.00 H new ATOM 1254 N LYS A 81 -8.815 -17.353 -1.236 1.00 0.00 N ATOM 1255 CA LYS A 81 -7.835 -18.398 -0.956 1.00 0.00 C ATOM 1256 C LYS A 81 -7.809 -19.418 -2.090 1.00 0.00 C ATOM 1257 O LYS A 81 -8.770 -20.160 -2.289 1.00 0.00 O ATOM 1258 CB LYS A 81 -8.174 -19.098 0.363 1.00 0.00 C ATOM 1259 CG LYS A 81 -6.955 -19.457 1.197 1.00 0.00 C ATOM 1260 CD LYS A 81 -7.169 -19.130 2.666 1.00 0.00 C ATOM 1261 CE LYS A 81 -5.892 -19.321 3.471 1.00 0.00 C ATOM 1262 NZ LYS A 81 -5.220 -20.612 3.151 1.00 0.00 N ATOM 0 H LYS A 81 -9.643 -17.680 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.851 -17.937 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.827 -18.451 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.736 -20.007 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.738 -20.520 1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.086 -18.914 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.512 -18.100 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.955 -19.768 3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.209 -18.496 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.125 -19.287 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.500 -20.817 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.925 -21.377 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.766 -20.545 2.218 1.00 0.00 H new ATOM 1276 N ASN A 82 -6.711 -19.447 -2.834 1.00 0.00 N ATOM 1277 CA ASN A 82 -6.579 -20.376 -3.951 1.00 0.00 C ATOM 1278 C ASN A 82 -7.651 -20.097 -5.006 1.00 0.00 C ATOM 1279 O ASN A 82 -8.267 -21.021 -5.539 1.00 0.00 O ATOM 1280 CB ASN A 82 -6.688 -21.824 -3.465 1.00 0.00 C ATOM 1281 CG ASN A 82 -5.909 -22.079 -2.186 1.00 0.00 C ATOM 1282 OD1 ASN A 82 -6.469 -22.528 -1.186 1.00 0.00 O ATOM 1283 ND2 ASN A 82 -4.612 -21.789 -2.210 1.00 0.00 N ATOM 0 H ASN A 82 -5.903 -18.842 -2.687 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.596 -20.232 -4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.737 -22.068 -3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.324 -22.492 -4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.041 -21.937 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.188 -21.419 -3.060 1.00 0.00 H new ATOM 1290 N GLY A 83 -7.837 -18.818 -5.331 1.00 0.00 N ATOM 1291 CA GLY A 83 -8.803 -18.438 -6.348 1.00 0.00 C ATOM 1292 C GLY A 83 -10.253 -18.511 -5.891 1.00 0.00 C ATOM 1293 O GLY A 83 -11.160 -18.218 -6.671 1.00 0.00 O ATOM 0 H GLY A 83 -7.335 -18.038 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.588 -17.421 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.674 -19.086 -7.215 1.00 0.00 H new ATOM 1297 N GLU A 84 -10.485 -18.915 -4.646 1.00 0.00 N ATOM 1298 CA GLU A 84 -11.850 -19.032 -4.135 1.00 0.00 C ATOM 1299 C GLU A 84 -12.055 -18.207 -2.866 1.00 0.00 C ATOM 1300 O GLU A 84 -11.184 -18.159 -1.998 1.00 0.00 O ATOM 1301 CB GLU A 84 -12.175 -20.501 -3.854 1.00 0.00 C ATOM 1302 CG GLU A 84 -13.631 -20.864 -4.095 1.00 0.00 C ATOM 1303 CD GLU A 84 -14.494 -20.654 -2.866 1.00 0.00 C ATOM 1304 OE1 GLU A 84 -13.969 -20.794 -1.741 1.00 0.00 O ATOM 1305 OE2 GLU A 84 -15.694 -20.351 -3.029 1.00 0.00 O ATOM 0 H GLU A 84 -9.756 -19.165 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.524 -18.642 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.545 -21.130 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.920 -20.728 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.021 -20.262 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.695 -21.907 -4.406 1.00 0.00 H new ATOM 1312 N VAL A 85 -13.226 -17.583 -2.757 1.00 0.00 N ATOM 1313 CA VAL A 85 -13.560 -16.775 -1.585 1.00 0.00 C ATOM 1314 C VAL A 85 -13.704 -17.663 -0.349 1.00 0.00 C ATOM 1315 O VAL A 85 -14.547 -18.561 -0.321 1.00 0.00 O ATOM 1316 CB VAL A 85 -14.869 -15.989 -1.787 1.00 0.00 C ATOM 1317 CG1 VAL A 85 -15.118 -15.057 -0.609 1.00 0.00 C ATOM 1318 CG2 VAL A 85 -14.825 -15.208 -3.092 1.00 0.00 C ATOM 0 H VAL A 85 -13.959 -17.621 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.745 -16.065 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.694 -16.699 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.047 -14.509 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.194 -15.642 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.291 -14.352 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -15.758 -14.658 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -13.991 -14.507 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.695 -15.899 -3.925 1.00 0.00 H new ATOM 1328 N ALA A 86 -12.882 -17.422 0.670 1.00 0.00 N ATOM 1329 CA ALA A 86 -12.940 -18.224 1.889 1.00 0.00 C ATOM 1330 C ALA A 86 -13.440 -17.420 3.085 1.00 0.00 C ATOM 1331 O ALA A 86 -13.417 -17.896 4.221 1.00 0.00 O ATOM 1332 CB ALA A 86 -11.579 -18.833 2.183 1.00 0.00 C ATOM 0 H ALA A 86 -12.175 -16.686 0.677 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.660 -19.025 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.636 -19.428 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.278 -19.470 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.845 -18.038 2.315 1.00 0.00 H new ATOM 1338 N ALA A 87 -13.899 -16.209 2.820 1.00 0.00 N ATOM 1339 CA ALA A 87 -14.419 -15.336 3.867 1.00 0.00 C ATOM 1340 C ALA A 87 -15.025 -14.067 3.274 1.00 0.00 C ATOM 1341 O ALA A 87 -14.464 -13.478 2.350 1.00 0.00 O ATOM 1342 CB ALA A 87 -13.324 -14.997 4.869 1.00 0.00 C ATOM 0 H ALA A 87 -13.923 -15.803 1.885 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.212 -15.869 4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.728 -14.345 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.951 -15.914 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.507 -14.489 4.357 1.00 0.00 H new ATOM 1348 N THR A 88 -16.163 -13.639 3.811 1.00 0.00 N ATOM 1349 CA THR A 88 -16.824 -12.431 3.326 1.00 0.00 C ATOM 1350 C THR A 88 -17.363 -11.597 4.485 1.00 0.00 C ATOM 1351 O THR A 88 -18.186 -12.068 5.270 1.00 0.00 O ATOM 1352 CB THR A 88 -17.964 -12.793 2.371 1.00 0.00 C ATOM 1353 OG1 THR A 88 -17.518 -13.696 1.377 1.00 0.00 O ATOM 1354 CG2 THR A 88 -18.558 -11.593 1.668 1.00 0.00 C ATOM 0 H THR A 88 -16.645 -14.107 4.578 1.00 0.00 H new ATOM 0 HA THR A 88 -16.084 -11.837 2.790 1.00 0.00 H new ATOM 0 HB THR A 88 -18.733 -13.245 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 88 -18.261 -13.916 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 88 -19.360 -11.919 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.957 -10.899 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.785 -11.095 1.083 1.00 0.00 H new ATOM 1362 N LYS A 89 -16.894 -10.356 4.587 1.00 0.00 N ATOM 1363 CA LYS A 89 -17.330 -9.460 5.654 1.00 0.00 C ATOM 1364 C LYS A 89 -18.003 -8.209 5.086 1.00 0.00 C ATOM 1365 O LYS A 89 -17.622 -7.711 4.027 1.00 0.00 O ATOM 1366 CB LYS A 89 -16.141 -9.067 6.532 1.00 0.00 C ATOM 1367 CG LYS A 89 -16.306 -9.471 7.986 1.00 0.00 C ATOM 1368 CD LYS A 89 -17.491 -8.766 8.622 1.00 0.00 C ATOM 1369 CE LYS A 89 -17.281 -8.556 10.112 1.00 0.00 C ATOM 1370 NZ LYS A 89 -17.227 -9.848 10.851 1.00 0.00 N ATOM 0 H LYS A 89 -16.214 -9.949 3.945 1.00 0.00 H new ATOM 0 HA LYS A 89 -18.063 -9.991 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.237 -9.529 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.999 -7.988 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.443 -10.550 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.397 -9.230 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.646 -7.803 8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.395 -9.354 8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.354 -8.006 10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.090 -7.943 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.100 -9.662 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.114 -10.370 10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.429 -10.415 10.500 1.00 0.00 H new ATOM 1384 N VAL A 90 -19.011 -7.714 5.798 1.00 0.00 N ATOM 1385 CA VAL A 90 -19.753 -6.527 5.376 1.00 0.00 C ATOM 1386 C VAL A 90 -19.657 -5.411 6.415 1.00 0.00 C ATOM 1387 O VAL A 90 -19.610 -5.678 7.616 1.00 0.00 O ATOM 1388 CB VAL A 90 -21.240 -6.852 5.127 1.00 0.00 C ATOM 1389 CG1 VAL A 90 -21.949 -5.664 4.492 1.00 0.00 C ATOM 1390 CG2 VAL A 90 -21.377 -8.091 4.255 1.00 0.00 C ATOM 0 H VAL A 90 -19.336 -8.119 6.676 1.00 0.00 H new ATOM 0 HA VAL A 90 -19.299 -6.190 4.444 1.00 0.00 H new ATOM 0 HB VAL A 90 -21.713 -7.057 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -22.997 -5.913 4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -21.883 -4.803 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -21.476 -5.424 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -22.433 -8.305 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -20.888 -7.917 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -20.908 -8.940 4.753 1.00 0.00 H new ATOM 1400 N GLY A 91 -19.640 -4.162 5.953 1.00 0.00 N ATOM 1401 CA GLY A 91 -19.556 -3.038 6.865 1.00 0.00 C ATOM 1402 C GLY A 91 -18.149 -2.773 7.362 1.00 0.00 C ATOM 1403 O GLY A 91 -17.285 -3.648 7.313 1.00 0.00 O ATOM 0 H GLY A 91 -19.683 -3.911 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -19.932 -2.145 6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.207 -3.223 7.720 1.00 0.00 H new ATOM 1407 N ALA A 92 -17.923 -1.548 7.834 1.00 0.00 N ATOM 1408 CA ALA A 92 -16.615 -1.140 8.335 1.00 0.00 C ATOM 1409 C ALA A 92 -16.290 -1.793 9.675 1.00 0.00 C ATOM 1410 O ALA A 92 -17.144 -1.890 10.558 1.00 0.00 O ATOM 1411 CB ALA A 92 -16.554 0.377 8.462 1.00 0.00 C ATOM 0 H ALA A 92 -18.634 -0.818 7.879 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.867 -1.475 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.574 0.672 8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.720 0.831 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.324 0.715 9.155 1.00 0.00 H new ATOM 1417 N LEU A 93 -15.044 -2.232 9.821 1.00 0.00 N ATOM 1418 CA LEU A 93 -14.594 -2.867 11.052 1.00 0.00 C ATOM 1419 C LEU A 93 -13.322 -2.201 11.563 1.00 0.00 C ATOM 1420 O LEU A 93 -12.533 -1.670 10.781 1.00 0.00 O ATOM 1421 CB LEU A 93 -14.355 -4.367 10.839 1.00 0.00 C ATOM 1422 CG LEU A 93 -14.121 -4.798 9.389 1.00 0.00 C ATOM 1423 CD1 LEU A 93 -13.148 -5.966 9.328 1.00 0.00 C ATOM 1424 CD2 LEU A 93 -15.438 -5.168 8.727 1.00 0.00 C ATOM 0 H LEU A 93 -14.327 -2.159 9.099 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.379 -2.746 11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.492 -4.667 11.433 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.215 -4.913 11.228 1.00 0.00 H new ATOM 0 HG LEU A 93 -13.684 -3.959 8.847 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.995 -6.258 8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.195 -5.669 9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.556 -6.809 9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.254 -5.472 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -15.900 -5.991 9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.105 -4.306 8.737 1.00 0.00 H new ATOM 1436 N SER A 94 -13.129 -2.226 12.875 1.00 0.00 N ATOM 1437 CA SER A 94 -11.950 -1.619 13.478 1.00 0.00 C ATOM 1438 C SER A 94 -10.686 -2.358 13.056 1.00 0.00 C ATOM 1439 O SER A 94 -10.740 -3.301 12.267 1.00 0.00 O ATOM 1440 CB SER A 94 -12.075 -1.609 15.003 1.00 0.00 C ATOM 1441 OG SER A 94 -12.972 -0.598 15.430 1.00 0.00 O ATOM 0 H SER A 94 -13.771 -2.658 13.540 1.00 0.00 H new ATOM 0 HA SER A 94 -11.879 -0.590 13.126 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.425 -2.581 15.350 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.095 -1.444 15.451 1.00 0.00 H new ATOM 0 HG SER A 94 -13.038 -0.611 16.408 1.00 0.00 H new ATOM 1447 N LYS A 95 -9.550 -1.916 13.579 1.00 0.00 N ATOM 1448 CA LYS A 95 -8.268 -2.525 13.248 1.00 0.00 C ATOM 1449 C LYS A 95 -8.131 -3.917 13.858 1.00 0.00 C ATOM 1450 O LYS A 95 -7.494 -4.796 13.277 1.00 0.00 O ATOM 1451 CB LYS A 95 -7.123 -1.632 13.727 1.00 0.00 C ATOM 1452 CG LYS A 95 -5.747 -2.177 13.389 1.00 0.00 C ATOM 1453 CD LYS A 95 -4.841 -1.093 12.831 1.00 0.00 C ATOM 1454 CE LYS A 95 -3.597 -1.685 12.189 1.00 0.00 C ATOM 1455 NZ LYS A 95 -2.407 -0.815 12.387 1.00 0.00 N ATOM 0 H LYS A 95 -9.490 -1.137 14.235 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.221 -2.628 12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.233 -0.643 13.281 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.199 -1.505 14.807 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.295 -2.606 14.283 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.842 -2.983 12.662 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.387 -0.504 12.094 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.550 -0.412 13.631 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.402 -2.670 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.771 -1.827 11.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.578 -1.252 11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.583 0.117 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.226 -0.700 13.405 1.00 0.00 H new ATOM 1469 N GLY A 96 -8.709 -4.105 15.039 1.00 0.00 N ATOM 1470 CA GLY A 96 -8.624 -5.390 15.700 1.00 0.00 C ATOM 1471 C GLY A 96 -9.573 -6.424 15.123 1.00 0.00 C ATOM 1472 O GLY A 96 -9.274 -7.619 15.139 1.00 0.00 O ATOM 0 H GLY A 96 -9.233 -3.392 15.547 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.602 -5.763 15.625 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.840 -5.261 16.761 1.00 0.00 H new ATOM 1476 N GLN A 97 -10.714 -5.976 14.609 1.00 0.00 N ATOM 1477 CA GLN A 97 -11.688 -6.893 14.028 1.00 0.00 C ATOM 1478 C GLN A 97 -11.243 -7.339 12.641 1.00 0.00 C ATOM 1479 O GLN A 97 -11.504 -8.468 12.225 1.00 0.00 O ATOM 1480 CB GLN A 97 -13.070 -6.246 13.962 1.00 0.00 C ATOM 1481 CG GLN A 97 -13.474 -5.552 15.253 1.00 0.00 C ATOM 1482 CD GLN A 97 -14.707 -4.683 15.097 1.00 0.00 C ATOM 1483 OE1 GLN A 97 -14.607 -3.467 14.928 1.00 0.00 O ATOM 1484 NE2 GLN A 97 -15.880 -5.302 15.152 1.00 0.00 N ATOM 0 H GLN A 97 -10.985 -4.993 14.583 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.752 -7.771 14.670 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.085 -5.521 13.148 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.810 -7.010 13.722 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.660 -6.304 16.020 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.645 -4.937 15.604 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -15.918 -6.311 15.294 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.743 -4.768 15.053 1.00 0.00 H new ATOM 1493 N LEU A 98 -10.554 -6.453 11.933 1.00 0.00 N ATOM 1494 CA LEU A 98 -10.056 -6.777 10.607 1.00 0.00 C ATOM 1495 C LEU A 98 -8.907 -7.775 10.731 1.00 0.00 C ATOM 1496 O LEU A 98 -8.888 -8.810 10.065 1.00 0.00 O ATOM 1497 CB LEU A 98 -9.597 -5.516 9.865 1.00 0.00 C ATOM 1498 CG LEU A 98 -9.959 -5.474 8.375 1.00 0.00 C ATOM 1499 CD1 LEU A 98 -10.027 -4.038 7.877 1.00 0.00 C ATOM 1500 CD2 LEU A 98 -8.954 -6.273 7.558 1.00 0.00 C ATOM 0 H LEU A 98 -10.330 -5.511 12.254 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.863 -7.223 10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.033 -4.645 10.354 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.515 -5.428 9.963 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.943 -5.926 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.285 -4.032 6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.786 -3.494 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.058 -3.558 8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.227 -6.232 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.958 -5.850 7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.956 -7.310 7.893 1.00 0.00 H new ATOM 1512 N LYS A 99 -7.949 -7.448 11.596 1.00 0.00 N ATOM 1513 CA LYS A 99 -6.784 -8.299 11.828 1.00 0.00 C ATOM 1514 C LYS A 99 -7.186 -9.668 12.384 1.00 0.00 C ATOM 1515 O LYS A 99 -6.647 -10.692 11.969 1.00 0.00 O ATOM 1516 CB LYS A 99 -5.810 -7.614 12.793 1.00 0.00 C ATOM 1517 CG LYS A 99 -4.381 -8.125 12.687 1.00 0.00 C ATOM 1518 CD LYS A 99 -3.558 -7.750 13.913 1.00 0.00 C ATOM 1519 CE LYS A 99 -3.789 -8.720 15.062 1.00 0.00 C ATOM 1520 NZ LYS A 99 -3.967 -8.010 16.359 1.00 0.00 N ATOM 0 H LYS A 99 -7.958 -6.593 12.152 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.295 -8.455 10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.818 -6.541 12.602 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.163 -7.758 13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.389 -9.209 12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.912 -7.713 11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.500 -7.740 13.652 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.818 -6.740 14.231 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.672 -9.325 14.855 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.944 -9.404 15.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.122 -8.705 17.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.115 -7.453 16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.789 -7.376 16.298 1.00 0.00 H new ATOM 1534 N GLU A 100 -8.132 -9.682 13.324 1.00 0.00 N ATOM 1535 CA GLU A 100 -8.584 -10.938 13.919 1.00 0.00 C ATOM 1536 C GLU A 100 -9.197 -11.852 12.859 1.00 0.00 C ATOM 1537 O GLU A 100 -8.915 -13.050 12.821 1.00 0.00 O ATOM 1538 CB GLU A 100 -9.578 -10.680 15.063 1.00 0.00 C ATOM 1539 CG GLU A 100 -10.997 -10.370 14.613 1.00 0.00 C ATOM 1540 CD GLU A 100 -11.973 -10.311 15.773 1.00 0.00 C ATOM 1541 OE1 GLU A 100 -11.619 -10.788 16.873 1.00 0.00 O ATOM 1542 OE2 GLU A 100 -13.091 -9.789 15.584 1.00 0.00 O ATOM 0 H GLU A 100 -8.595 -8.848 13.686 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.714 -11.443 14.339 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.600 -11.556 15.712 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.212 -9.848 15.664 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.007 -9.417 14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.325 -11.131 13.905 1.00 0.00 H new ATOM 1549 N PHE A 101 -10.006 -11.272 11.977 1.00 0.00 N ATOM 1550 CA PHE A 101 -10.635 -12.021 10.893 1.00 0.00 C ATOM 1551 C PHE A 101 -9.578 -12.610 9.967 1.00 0.00 C ATOM 1552 O PHE A 101 -9.663 -13.766 9.550 1.00 0.00 O ATOM 1553 CB PHE A 101 -11.565 -11.095 10.106 1.00 0.00 C ATOM 1554 CG PHE A 101 -12.420 -11.793 9.088 1.00 0.00 C ATOM 1555 CD1 PHE A 101 -13.322 -12.775 9.468 1.00 0.00 C ATOM 1556 CD2 PHE A 101 -12.324 -11.460 7.746 1.00 0.00 C ATOM 1557 CE1 PHE A 101 -14.114 -13.410 8.528 1.00 0.00 C ATOM 1558 CE2 PHE A 101 -13.112 -12.092 6.802 1.00 0.00 C ATOM 1559 CZ PHE A 101 -14.008 -13.068 7.194 1.00 0.00 C ATOM 0 H PHE A 101 -10.242 -10.280 11.992 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.214 -12.841 11.318 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.213 -10.569 10.807 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.963 -10.340 9.601 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -13.407 -13.047 10.510 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.625 -10.698 7.434 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -14.814 -14.172 8.837 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -13.027 -11.823 5.759 1.00 0.00 H new ATOM 0 HZ PHE A 101 -14.625 -13.563 6.458 1.00 0.00 H new ATOM 1569 N LEU A 102 -8.569 -11.802 9.664 1.00 0.00 N ATOM 1570 CA LEU A 102 -7.488 -12.236 8.797 1.00 0.00 C ATOM 1571 C LEU A 102 -6.678 -13.324 9.489 1.00 0.00 C ATOM 1572 O LEU A 102 -6.511 -14.416 8.954 1.00 0.00 O ATOM 1573 CB LEU A 102 -6.601 -11.049 8.408 1.00 0.00 C ATOM 1574 CG LEU A 102 -6.686 -10.658 6.933 1.00 0.00 C ATOM 1575 CD1 LEU A 102 -5.985 -9.334 6.676 1.00 0.00 C ATOM 1576 CD2 LEU A 102 -6.097 -11.758 6.065 1.00 0.00 C ATOM 0 H LEU A 102 -8.480 -10.845 10.007 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.909 -12.649 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.878 -10.188 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.566 -11.290 8.649 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.737 -10.532 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.062 -9.081 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.456 -8.552 7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.934 -9.419 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.163 -11.469 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.052 -11.913 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.653 -12.682 6.222 1.00 0.00 H new ATOM 1588 N ASP A 103 -6.201 -13.029 10.692 1.00 0.00 N ATOM 1589 CA ASP A 103 -5.431 -13.998 11.462 1.00 0.00 C ATOM 1590 C ASP A 103 -6.192 -15.321 11.585 1.00 0.00 C ATOM 1591 O ASP A 103 -5.594 -16.396 11.561 1.00 0.00 O ATOM 1592 CB ASP A 103 -5.112 -13.447 12.855 1.00 0.00 C ATOM 1593 CG ASP A 103 -3.774 -13.936 13.374 1.00 0.00 C ATOM 1594 OD1 ASP A 103 -2.768 -13.795 12.648 1.00 0.00 O ATOM 1595 OD2 ASP A 103 -3.732 -14.459 14.508 1.00 0.00 O ATOM 0 H ASP A 103 -6.333 -12.130 11.154 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.496 -14.182 10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.110 -12.358 12.821 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.899 -13.743 13.549 1.00 0.00 H new ATOM 1600 N ALA A 104 -7.517 -15.231 11.711 1.00 0.00 N ATOM 1601 CA ALA A 104 -8.359 -16.420 11.832 1.00 0.00 C ATOM 1602 C ALA A 104 -8.462 -17.186 10.511 1.00 0.00 C ATOM 1603 O ALA A 104 -8.830 -18.361 10.498 1.00 0.00 O ATOM 1604 CB ALA A 104 -9.749 -16.043 12.328 1.00 0.00 C ATOM 0 H ALA A 104 -8.028 -14.349 11.732 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.885 -17.078 12.560 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.361 -16.941 12.412 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -9.670 -15.565 13.305 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -10.212 -15.353 11.623 1.00 0.00 H new ATOM 1610 N ASN A 105 -8.149 -16.519 9.403 1.00 0.00 N ATOM 1611 CA ASN A 105 -8.225 -17.154 8.086 1.00 0.00 C ATOM 1612 C ASN A 105 -6.834 -17.435 7.520 1.00 0.00 C ATOM 1613 O ASN A 105 -6.652 -18.367 6.736 1.00 0.00 O ATOM 1614 CB ASN A 105 -9.012 -16.271 7.114 1.00 0.00 C ATOM 1615 CG ASN A 105 -9.895 -17.080 6.183 1.00 0.00 C ATOM 1616 OD1 ASN A 105 -10.298 -18.199 6.504 1.00 0.00 O ATOM 1617 ND2 ASN A 105 -10.203 -16.515 5.020 1.00 0.00 N ATOM 0 H ASN A 105 -7.842 -15.546 9.388 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.741 -18.106 8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.629 -15.573 7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.316 -15.675 6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.795 -17.010 4.353 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.848 -15.586 4.794 1.00 0.00 H new ATOM 1624 N LEU A 106 -5.858 -16.628 7.919 1.00 0.00 N ATOM 1625 CA LEU A 106 -4.483 -16.787 7.452 1.00 0.00 C ATOM 1626 C LEU A 106 -3.845 -18.036 8.054 1.00 0.00 C ATOM 1627 O LEU A 106 -3.643 -18.121 9.266 1.00 0.00 O ATOM 1628 CB LEU A 106 -3.665 -15.546 7.818 1.00 0.00 C ATOM 1629 CG LEU A 106 -2.194 -15.557 7.383 1.00 0.00 C ATOM 1630 CD1 LEU A 106 -1.361 -16.409 8.326 1.00 0.00 C ATOM 1631 CD2 LEU A 106 -2.050 -16.048 5.949 1.00 0.00 C ATOM 0 H LEU A 106 -5.993 -15.853 8.568 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.496 -16.902 6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.147 -14.674 7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.702 -15.417 8.900 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.824 -14.533 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.321 -16.403 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.426 -16.004 9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.737 -17.432 8.320 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.997 -16.045 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.444 -17.061 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.606 -15.389 5.281 1.00 0.00 H new ATOM 1643 N VAL A 107 -3.531 -19.003 7.199 1.00 0.00 N ATOM 1644 CA VAL A 107 -2.916 -20.250 7.642 1.00 0.00 C ATOM 1645 C VAL A 107 -2.227 -20.968 6.486 1.00 0.00 C ATOM 1646 O VAL A 107 -2.122 -20.366 5.396 1.00 0.00 O ATOM 1647 CB VAL A 107 -3.952 -21.198 8.275 1.00 0.00 C ATOM 1648 CG1 VAL A 107 -4.310 -20.736 9.678 1.00 0.00 C ATOM 1649 CG2 VAL A 107 -5.197 -21.295 7.405 1.00 0.00 C ATOM 0 H VAL A 107 -3.692 -18.948 6.193 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.174 -19.982 8.394 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.510 -22.192 8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.043 -21.418 10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.414 -20.727 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.731 -19.731 9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.915 -21.970 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.644 -20.307 7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.925 -21.678 6.422 1.00 0.00 H new TER 1659 VAL A 107