USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 33 THR OG1 : rot 20:sc= 1.57 USER MOD Set 1.2: A 59 TYR OH : rot -149:sc= 0.396 USER MOD Set 2.1: A 9 CYS SG : rot -152:sc= -2.99 USER MOD Set 2.2: A 62 HIS : no HE2:sc= -2.51 K(o=-5.5,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00519 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -54:sc= 0.451 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0278 USER MOD Single : A 8 ASN : amide:sc= -0.47 K(o=-0.47,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 135:sc= -1.01 (180deg=-3.33!) USER MOD Single : A 20 LYS NZ :NH3+ -124:sc= 0.226 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -135:sc= -0.0912 (180deg=-0.689) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.8) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.00266 X(o=-0.0027,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.456 X(o=-0.46,f=0.03) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 35:sc= 0.586 USER MOD Single : A 104 SER OG : rot -62:sc= 0.168 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 30:sc= 0.936 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.544 1.838 25.273 1.00 0.00 N ATOM 2 CA GLY A 1 -4.802 1.839 24.026 1.00 0.00 C ATOM 3 C GLY A 1 -5.707 1.757 22.813 1.00 0.00 C ATOM 4 O GLY A 1 -5.515 0.908 21.943 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.881 1.895 26.072 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.185 2.656 25.296 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.099 0.961 25.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.200 2.746 23.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.111 0.996 24.017 1.00 0.00 H new ATOM 8 N SER A 2 -6.698 2.641 22.756 1.00 0.00 N ATOM 9 CA SER A 2 -7.640 2.662 21.643 1.00 0.00 C ATOM 10 C SER A 2 -6.904 2.639 20.307 1.00 0.00 C ATOM 11 O SER A 2 -5.749 3.054 20.215 1.00 0.00 O ATOM 12 CB SER A 2 -8.532 3.902 21.725 1.00 0.00 C ATOM 13 OG SER A 2 -9.454 3.940 20.649 1.00 0.00 O ATOM 0 H SER A 2 -6.869 3.352 23.467 1.00 0.00 H new ATOM 0 HA SER A 2 -8.263 1.770 21.710 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.073 3.903 22.671 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.914 4.800 21.710 1.00 0.00 H new ATOM 0 HG SER A 2 -10.013 4.741 20.726 1.00 0.00 H new ATOM 19 N SER A 3 -7.582 2.151 19.273 1.00 0.00 N ATOM 20 CA SER A 3 -6.991 2.070 17.942 1.00 0.00 C ATOM 21 C SER A 3 -7.048 3.423 17.239 1.00 0.00 C ATOM 22 O SER A 3 -7.937 4.232 17.498 1.00 0.00 O ATOM 23 CB SER A 3 -7.717 1.016 17.103 1.00 0.00 C ATOM 24 OG SER A 3 -7.466 -0.289 17.595 1.00 0.00 O ATOM 0 H SER A 3 -8.540 1.806 19.331 1.00 0.00 H new ATOM 0 HA SER A 3 -5.946 1.781 18.052 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.789 1.213 17.115 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.392 1.086 16.065 1.00 0.00 H new ATOM 0 HG SER A 3 -7.942 -0.944 17.043 1.00 0.00 H new ATOM 30 N GLY A 4 -6.090 3.660 16.348 1.00 0.00 N ATOM 31 CA GLY A 4 -6.048 4.916 15.621 1.00 0.00 C ATOM 32 C GLY A 4 -4.757 5.094 14.847 1.00 0.00 C ATOM 33 O GLY A 4 -4.750 5.038 13.617 1.00 0.00 O ATOM 0 H GLY A 4 -5.343 3.005 16.117 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.891 4.962 14.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.165 5.742 16.322 1.00 0.00 H new ATOM 37 N SER A 5 -3.661 5.312 15.568 1.00 0.00 N ATOM 38 CA SER A 5 -2.359 5.505 14.941 1.00 0.00 C ATOM 39 C SER A 5 -2.485 6.350 13.677 1.00 0.00 C ATOM 40 O SER A 5 -1.868 6.053 12.654 1.00 0.00 O ATOM 41 CB SER A 5 -1.727 4.153 14.603 1.00 0.00 C ATOM 42 OG SER A 5 -0.390 4.312 14.161 1.00 0.00 O ATOM 0 H SER A 5 -3.649 5.359 16.587 1.00 0.00 H new ATOM 0 HA SER A 5 -1.717 6.032 15.647 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.749 3.508 15.481 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.313 3.657 13.829 1.00 0.00 H new ATOM 0 HG SER A 5 -0.365 4.951 13.418 1.00 0.00 H new ATOM 48 N SER A 6 -3.289 7.406 13.756 1.00 0.00 N ATOM 49 CA SER A 6 -3.500 8.293 12.619 1.00 0.00 C ATOM 50 C SER A 6 -2.193 8.958 12.198 1.00 0.00 C ATOM 51 O SER A 6 -1.584 9.698 12.969 1.00 0.00 O ATOM 52 CB SER A 6 -4.540 9.361 12.964 1.00 0.00 C ATOM 53 OG SER A 6 -5.031 9.992 11.794 1.00 0.00 O ATOM 0 H SER A 6 -3.805 7.668 14.596 1.00 0.00 H new ATOM 0 HA SER A 6 -3.867 7.693 11.786 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.367 8.905 13.509 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.095 10.106 13.624 1.00 0.00 H new ATOM 0 HG SER A 6 -5.695 10.669 12.042 1.00 0.00 H new ATOM 59 N GLY A 7 -1.767 8.686 10.968 1.00 0.00 N ATOM 60 CA GLY A 7 -0.535 9.264 10.465 1.00 0.00 C ATOM 61 C GLY A 7 -0.330 8.997 8.987 1.00 0.00 C ATOM 62 O GLY A 7 -1.187 9.320 8.167 1.00 0.00 O ATOM 0 H GLY A 7 -2.253 8.076 10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.545 10.340 10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.308 8.858 11.025 1.00 0.00 H new ATOM 66 N ASN A 8 0.811 8.407 8.647 1.00 0.00 N ATOM 67 CA ASN A 8 1.127 8.098 7.257 1.00 0.00 C ATOM 68 C ASN A 8 0.002 7.299 6.607 1.00 0.00 C ATOM 69 O ASN A 8 -0.943 6.881 7.278 1.00 0.00 O ATOM 70 CB ASN A 8 2.439 7.315 7.172 1.00 0.00 C ATOM 71 CG ASN A 8 2.312 5.912 7.735 1.00 0.00 C ATOM 72 OD1 ASN A 8 1.339 5.591 8.418 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.297 5.069 7.450 1.00 0.00 N ATOM 0 H ASN A 8 1.532 8.133 9.314 1.00 0.00 H new ATOM 0 HA ASN A 8 1.238 9.039 6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.759 7.259 6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.216 7.853 7.715 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.267 4.112 7.801 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.084 5.378 6.880 1.00 0.00 H new ATOM 80 N CYS A 9 0.110 7.091 5.300 1.00 0.00 N ATOM 81 CA CYS A 9 -0.899 6.342 4.559 1.00 0.00 C ATOM 82 C CYS A 9 -0.263 5.190 3.787 1.00 0.00 C ATOM 83 O CYS A 9 0.705 5.382 3.052 1.00 0.00 O ATOM 84 CB CYS A 9 -1.645 7.266 3.596 1.00 0.00 C ATOM 85 SG CYS A 9 -3.075 8.097 4.329 1.00 0.00 S ATOM 0 H CYS A 9 0.886 7.430 4.731 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.608 5.928 5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.952 8.020 3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.977 6.685 2.736 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.953 8.347 3.403 1.00 0.00 H new ATOM 91 N ARG A 10 -0.814 3.993 3.962 1.00 0.00 N ATOM 92 CA ARG A 10 -0.299 2.809 3.284 1.00 0.00 C ATOM 93 C ARG A 10 -1.431 2.018 2.637 1.00 0.00 C ATOM 94 O ARG A 10 -2.496 1.839 3.230 1.00 0.00 O ATOM 95 CB ARG A 10 0.460 1.920 4.271 1.00 0.00 C ATOM 96 CG ARG A 10 1.922 2.303 4.435 1.00 0.00 C ATOM 97 CD ARG A 10 2.602 1.460 5.503 1.00 0.00 C ATOM 98 NE ARG A 10 2.196 1.853 6.850 1.00 0.00 N ATOM 99 CZ ARG A 10 2.881 1.540 7.945 1.00 0.00 C ATOM 100 NH1 ARG A 10 4.000 0.835 7.852 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.447 1.934 9.135 1.00 0.00 N ATOM 0 H ARG A 10 -1.616 3.818 4.567 1.00 0.00 H new ATOM 0 HA ARG A 10 0.385 3.138 2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.031 1.969 5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.400 0.885 3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.441 2.177 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.995 3.358 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.361 0.409 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.683 1.557 5.407 1.00 0.00 H new ATOM 0 HE ARG A 10 1.340 2.397 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.337 0.531 6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.524 0.596 8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.587 2.477 9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.973 1.693 9.975 1.00 0.00 H new ATOM 115 N LEU A 11 -1.194 1.546 1.418 1.00 0.00 N ATOM 116 CA LEU A 11 -2.194 0.773 0.689 1.00 0.00 C ATOM 117 C LEU A 11 -1.940 -0.724 0.837 1.00 0.00 C ATOM 118 O LEU A 11 -0.801 -1.182 0.746 1.00 0.00 O ATOM 119 CB LEU A 11 -2.187 1.159 -0.791 1.00 0.00 C ATOM 120 CG LEU A 11 -2.625 2.588 -1.114 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.649 2.812 -2.618 1.00 0.00 C ATOM 122 CD2 LEU A 11 -3.992 2.876 -0.509 1.00 0.00 C ATOM 0 H LEU A 11 -0.318 1.685 0.914 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.172 1.000 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.179 1.013 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.839 0.470 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.903 3.277 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.963 3.834 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.652 2.647 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.349 2.115 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.288 3.897 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.725 2.180 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.943 2.757 0.573 1.00 0.00 H new ATOM 134 N PHE A 12 -3.009 -1.480 1.063 1.00 0.00 N ATOM 135 CA PHE A 12 -2.902 -2.926 1.223 1.00 0.00 C ATOM 136 C PHE A 12 -2.922 -3.626 -0.133 1.00 0.00 C ATOM 137 O PHE A 12 -3.978 -3.787 -0.745 1.00 0.00 O ATOM 138 CB PHE A 12 -4.043 -3.450 2.096 1.00 0.00 C ATOM 139 CG PHE A 12 -3.952 -4.921 2.384 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.538 -5.845 1.533 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.279 -5.381 3.504 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.456 -7.199 1.796 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.192 -6.735 3.771 1.00 0.00 C ATOM 144 CZ PHE A 12 -3.781 -7.645 2.916 1.00 0.00 C ATOM 0 H PHE A 12 -3.959 -1.116 1.140 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.952 -3.143 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.049 -2.903 3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.992 -3.243 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.065 -5.503 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.817 -4.674 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.919 -7.908 1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.664 -7.080 4.647 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.714 -8.703 3.122 1.00 0.00 H new ATOM 154 N ILE A 13 -1.747 -4.038 -0.597 1.00 0.00 N ATOM 155 CA ILE A 13 -1.629 -4.720 -1.880 1.00 0.00 C ATOM 156 C ILE A 13 -1.487 -6.226 -1.690 1.00 0.00 C ATOM 157 O ILE A 13 -0.441 -6.713 -1.265 1.00 0.00 O ATOM 158 CB ILE A 13 -0.424 -4.200 -2.685 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.423 -2.670 -2.713 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.450 -4.761 -4.099 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.601 -2.079 -3.456 1.00 0.00 C ATOM 0 H ILE A 13 -0.863 -3.911 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.544 -4.510 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 13 0.492 -4.536 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.425 -2.296 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.500 -2.324 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.408 -4.384 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.407 -5.849 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.369 -4.452 -4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.535 -0.991 -3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.589 -2.424 -4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.528 -2.396 -2.979 1.00 0.00 H new ATOM 173 N GLY A 14 -2.549 -6.960 -2.011 1.00 0.00 N ATOM 174 CA GLY A 14 -2.522 -8.404 -1.871 1.00 0.00 C ATOM 175 C GLY A 14 -2.728 -9.119 -3.192 1.00 0.00 C ATOM 176 O GLY A 14 -3.457 -8.639 -4.058 1.00 0.00 O ATOM 0 H GLY A 14 -3.427 -6.580 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.566 -8.707 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.297 -8.712 -1.170 1.00 0.00 H new ATOM 180 N GLY A 15 -2.081 -10.270 -3.347 1.00 0.00 N ATOM 181 CA GLY A 15 -2.209 -11.033 -4.576 1.00 0.00 C ATOM 182 C GLY A 15 -1.016 -10.856 -5.494 1.00 0.00 C ATOM 183 O GLY A 15 -1.171 -10.506 -6.664 1.00 0.00 O ATOM 0 H GLY A 15 -1.471 -10.688 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.324 -12.090 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.115 -10.725 -5.099 1.00 0.00 H new ATOM 187 N ILE A 16 0.178 -11.098 -4.963 1.00 0.00 N ATOM 188 CA ILE A 16 1.402 -10.963 -5.743 1.00 0.00 C ATOM 189 C ILE A 16 2.363 -12.113 -5.461 1.00 0.00 C ATOM 190 O ILE A 16 2.384 -12.685 -4.371 1.00 0.00 O ATOM 191 CB ILE A 16 2.114 -9.630 -5.448 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.407 -9.504 -3.951 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.268 -8.460 -5.927 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.503 -8.511 -3.632 1.00 0.00 C ATOM 0 H ILE A 16 0.324 -11.388 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 16 1.111 -10.985 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 16 3.061 -9.614 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.495 -9.205 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.689 -10.482 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.785 -7.525 -5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.105 -8.545 -7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.307 -8.471 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.657 -8.473 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.427 -8.820 -4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.215 -7.523 -3.992 1.00 0.00 H new ATOM 206 N PRO A 17 3.181 -12.460 -6.466 1.00 0.00 N ATOM 207 CA PRO A 17 4.162 -13.543 -6.350 1.00 0.00 C ATOM 208 C PRO A 17 5.309 -13.188 -5.409 1.00 0.00 C ATOM 209 O PRO A 17 5.797 -12.058 -5.408 1.00 0.00 O ATOM 210 CB PRO A 17 4.677 -13.710 -7.782 1.00 0.00 C ATOM 211 CG PRO A 17 4.458 -12.382 -8.420 1.00 0.00 C ATOM 212 CD PRO A 17 3.211 -11.822 -7.793 1.00 0.00 C ATOM 0 HA PRO A 17 3.722 -14.449 -5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.731 -13.986 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.136 -14.496 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.310 -11.723 -8.251 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.341 -12.482 -9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.253 -10.736 -7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.323 -12.066 -8.376 1.00 0.00 H new ATOM 220 N LYS A 18 5.734 -14.160 -4.610 1.00 0.00 N ATOM 221 CA LYS A 18 6.825 -13.952 -3.665 1.00 0.00 C ATOM 222 C LYS A 18 8.145 -13.733 -4.397 1.00 0.00 C ATOM 223 O LYS A 18 9.033 -13.041 -3.900 1.00 0.00 O ATOM 224 CB LYS A 18 6.945 -15.151 -2.721 1.00 0.00 C ATOM 225 CG LYS A 18 5.628 -15.558 -2.083 1.00 0.00 C ATOM 226 CD LYS A 18 5.588 -17.049 -1.789 1.00 0.00 C ATOM 227 CE LYS A 18 4.164 -17.536 -1.575 1.00 0.00 C ATOM 228 NZ LYS A 18 4.000 -18.962 -1.973 1.00 0.00 N ATOM 0 H LYS A 18 5.339 -15.101 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 18 6.602 -13.059 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.348 -15.999 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.662 -14.913 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.483 -15.000 -1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.804 -15.295 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.041 -17.596 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.184 -17.262 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.894 -17.418 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.478 -16.917 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.016 -19.256 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.233 -19.070 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.636 -19.556 -1.405 1.00 0.00 H new ATOM 242 N MET A 19 8.265 -14.326 -5.580 1.00 0.00 N ATOM 243 CA MET A 19 9.476 -14.192 -6.381 1.00 0.00 C ATOM 244 C MET A 19 9.913 -12.733 -6.468 1.00 0.00 C ATOM 245 O MET A 19 11.075 -12.438 -6.747 1.00 0.00 O ATOM 246 CB MET A 19 9.248 -14.752 -7.787 1.00 0.00 C ATOM 247 CG MET A 19 8.482 -13.809 -8.700 1.00 0.00 C ATOM 248 SD MET A 19 7.883 -14.622 -10.194 1.00 0.00 S ATOM 249 CE MET A 19 6.935 -15.968 -9.489 1.00 0.00 C ATOM 0 H MET A 19 7.539 -14.903 -6.005 1.00 0.00 H new ATOM 0 HA MET A 19 10.268 -14.762 -5.894 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.213 -14.979 -8.240 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.703 -15.693 -7.710 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.636 -13.390 -8.155 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.127 -12.975 -8.978 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.979 -16.049 -10.005 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.488 -16.900 -9.601 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.761 -15.775 -8.431 1.00 0.00 H new ATOM 259 N LYS A 20 8.975 -11.824 -6.227 1.00 0.00 N ATOM 260 CA LYS A 20 9.262 -10.396 -6.276 1.00 0.00 C ATOM 261 C LYS A 20 9.634 -9.867 -4.894 1.00 0.00 C ATOM 262 O LYS A 20 9.243 -10.436 -3.875 1.00 0.00 O ATOM 263 CB LYS A 20 8.053 -9.630 -6.818 1.00 0.00 C ATOM 264 CG LYS A 20 7.261 -10.402 -7.859 1.00 0.00 C ATOM 265 CD LYS A 20 7.911 -10.318 -9.230 1.00 0.00 C ATOM 266 CE LYS A 20 7.208 -11.217 -10.236 1.00 0.00 C ATOM 267 NZ LYS A 20 8.045 -11.457 -11.444 1.00 0.00 N ATOM 0 H LYS A 20 8.008 -12.051 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 20 10.110 -10.245 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.394 -9.374 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.394 -8.692 -7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.182 -11.446 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.246 -10.007 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.887 -9.287 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.960 -10.605 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.967 -12.170 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.264 -10.761 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.517 -11.173 -12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.920 -10.899 -11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.283 -12.467 -11.506 1.00 0.00 H new ATOM 281 N LYS A 21 10.391 -8.776 -4.867 1.00 0.00 N ATOM 282 CA LYS A 21 10.813 -8.168 -3.611 1.00 0.00 C ATOM 283 C LYS A 21 10.363 -6.713 -3.532 1.00 0.00 C ATOM 284 O LYS A 21 10.190 -6.050 -4.555 1.00 0.00 O ATOM 285 CB LYS A 21 12.335 -8.251 -3.467 1.00 0.00 C ATOM 286 CG LYS A 21 12.814 -9.530 -2.804 1.00 0.00 C ATOM 287 CD LYS A 21 14.177 -9.952 -3.326 1.00 0.00 C ATOM 288 CE LYS A 21 14.068 -10.629 -4.684 1.00 0.00 C ATOM 289 NZ LYS A 21 13.814 -12.091 -4.556 1.00 0.00 N ATOM 0 H LYS A 21 10.725 -8.294 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 21 10.346 -8.719 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.790 -8.171 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.684 -7.398 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.866 -9.384 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.092 -10.327 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.824 -9.078 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.645 -10.633 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.262 -10.169 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.989 -10.468 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.746 -12.516 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.596 -12.535 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.923 -12.245 -4.043 1.00 0.00 H new ATOM 303 N ARG A 22 10.177 -6.222 -2.311 1.00 0.00 N ATOM 304 CA ARG A 22 9.747 -4.845 -2.099 1.00 0.00 C ATOM 305 C ARG A 22 10.343 -3.920 -3.157 1.00 0.00 C ATOM 306 O ARG A 22 9.713 -2.946 -3.568 1.00 0.00 O ATOM 307 CB ARG A 22 10.156 -4.370 -0.703 1.00 0.00 C ATOM 308 CG ARG A 22 11.655 -4.188 -0.536 1.00 0.00 C ATOM 309 CD ARG A 22 12.086 -4.410 0.905 1.00 0.00 C ATOM 310 NE ARG A 22 13.474 -4.014 1.128 1.00 0.00 N ATOM 311 CZ ARG A 22 13.875 -2.750 1.206 1.00 0.00 C ATOM 312 NH1 ARG A 22 12.997 -1.764 1.080 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.156 -2.470 1.411 1.00 0.00 N ATOM 0 H ARG A 22 10.317 -6.757 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 22 8.661 -4.813 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.658 -3.424 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.802 -5.090 0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.182 -4.886 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.938 -3.184 -0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.436 -3.841 1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.963 -5.462 1.162 1.00 0.00 H new ATOM 0 HE ARG A 22 14.174 -4.749 1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.012 -1.976 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.307 -0.794 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.834 -3.226 1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.463 -1.499 1.471 1.00 0.00 H new ATOM 327 N GLU A 23 11.559 -4.233 -3.592 1.00 0.00 N ATOM 328 CA GLU A 23 12.240 -3.429 -4.601 1.00 0.00 C ATOM 329 C GLU A 23 11.449 -3.411 -5.906 1.00 0.00 C ATOM 330 O GLU A 23 11.213 -2.352 -6.485 1.00 0.00 O ATOM 331 CB GLU A 23 13.648 -3.972 -4.852 1.00 0.00 C ATOM 332 CG GLU A 23 14.382 -4.371 -3.583 1.00 0.00 C ATOM 333 CD GLU A 23 15.888 -4.396 -3.763 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.355 -4.966 -4.772 1.00 0.00 O ATOM 335 OE2 GLU A 23 16.599 -3.845 -2.897 1.00 0.00 O ATOM 0 H GLU A 23 12.093 -5.037 -3.262 1.00 0.00 H new ATOM 0 HA GLU A 23 12.314 -2.408 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.582 -4.838 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.232 -3.216 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.127 -3.673 -2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.041 -5.357 -3.265 1.00 0.00 H new ATOM 342 N GLU A 24 11.044 -4.592 -6.362 1.00 0.00 N ATOM 343 CA GLU A 24 10.281 -4.712 -7.599 1.00 0.00 C ATOM 344 C GLU A 24 8.872 -4.151 -7.426 1.00 0.00 C ATOM 345 O GLU A 24 8.410 -3.347 -8.235 1.00 0.00 O ATOM 346 CB GLU A 24 10.209 -6.176 -8.040 1.00 0.00 C ATOM 347 CG GLU A 24 11.542 -6.739 -8.502 1.00 0.00 C ATOM 348 CD GLU A 24 11.930 -6.259 -9.887 1.00 0.00 C ATOM 349 OE1 GLU A 24 11.299 -6.707 -10.867 1.00 0.00 O ATOM 350 OE2 GLU A 24 12.863 -5.436 -9.991 1.00 0.00 O ATOM 0 H GLU A 24 11.231 -5.479 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 24 10.792 -4.133 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.838 -6.778 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.485 -6.267 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.318 -6.454 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.493 -7.828 -8.500 1.00 0.00 H new ATOM 357 N ILE A 25 8.196 -4.583 -6.367 1.00 0.00 N ATOM 358 CA ILE A 25 6.841 -4.124 -6.087 1.00 0.00 C ATOM 359 C ILE A 25 6.738 -2.608 -6.211 1.00 0.00 C ATOM 360 O ILE A 25 5.919 -2.090 -6.973 1.00 0.00 O ATOM 361 CB ILE A 25 6.384 -4.545 -4.678 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.450 -6.066 -4.530 1.00 0.00 C ATOM 363 CG2 ILE A 25 4.973 -4.042 -4.407 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.569 -6.529 -3.094 1.00 0.00 C ATOM 0 H ILE A 25 8.564 -5.250 -5.689 1.00 0.00 H new ATOM 0 HA ILE A 25 6.190 -4.592 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 25 7.056 -4.098 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.556 -6.505 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.302 -6.441 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.664 -4.347 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.955 -2.954 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.289 -4.464 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.611 -7.618 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.478 -6.119 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.704 -6.184 -2.528 1.00 0.00 H new ATOM 376 N LEU A 26 7.574 -1.900 -5.460 1.00 0.00 N ATOM 377 CA LEU A 26 7.578 -0.441 -5.487 1.00 0.00 C ATOM 378 C LEU A 26 7.480 0.078 -6.918 1.00 0.00 C ATOM 379 O LEU A 26 6.592 0.865 -7.242 1.00 0.00 O ATOM 380 CB LEU A 26 8.847 0.097 -4.823 1.00 0.00 C ATOM 381 CG LEU A 26 9.184 1.561 -5.107 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.515 2.469 -4.086 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.691 1.772 -5.105 1.00 0.00 C ATOM 0 H LEU A 26 8.258 -2.312 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 26 6.708 -0.090 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.751 -0.030 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.689 -0.517 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 26 8.804 1.817 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.766 3.507 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.434 2.338 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.865 2.213 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.912 2.820 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.095 1.499 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.147 1.149 -5.874 1.00 0.00 H new ATOM 395 N GLU A 27 8.397 -0.371 -7.769 1.00 0.00 N ATOM 396 CA GLU A 27 8.412 0.047 -9.166 1.00 0.00 C ATOM 397 C GLU A 27 7.063 -0.221 -9.828 1.00 0.00 C ATOM 398 O GLU A 27 6.373 0.707 -10.250 1.00 0.00 O ATOM 399 CB GLU A 27 9.520 -0.682 -9.928 1.00 0.00 C ATOM 400 CG GLU A 27 10.001 0.063 -11.162 1.00 0.00 C ATOM 401 CD GLU A 27 10.516 -0.869 -12.242 1.00 0.00 C ATOM 402 OE1 GLU A 27 9.845 -1.886 -12.519 1.00 0.00 O ATOM 403 OE2 GLU A 27 11.590 -0.582 -12.810 1.00 0.00 O ATOM 0 H GLU A 27 9.139 -1.024 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 27 8.606 1.119 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.365 -0.843 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.158 -1.666 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.182 0.661 -11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.793 0.756 -10.878 1.00 0.00 H new ATOM 410 N GLU A 28 6.696 -1.495 -9.915 1.00 0.00 N ATOM 411 CA GLU A 28 5.431 -1.885 -10.527 1.00 0.00 C ATOM 412 C GLU A 28 4.286 -1.018 -10.011 1.00 0.00 C ATOM 413 O GLU A 28 3.244 -0.899 -10.656 1.00 0.00 O ATOM 414 CB GLU A 28 5.135 -3.360 -10.246 1.00 0.00 C ATOM 415 CG GLU A 28 5.690 -4.304 -11.299 1.00 0.00 C ATOM 416 CD GLU A 28 7.141 -4.017 -11.633 1.00 0.00 C ATOM 417 OE1 GLU A 28 8.006 -4.246 -10.762 1.00 0.00 O ATOM 418 OE2 GLU A 28 7.411 -3.563 -12.765 1.00 0.00 O ATOM 0 H GLU A 28 7.256 -2.275 -9.570 1.00 0.00 H new ATOM 0 HA GLU A 28 5.518 -1.738 -11.604 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.552 -3.627 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.056 -3.499 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.599 -5.331 -10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.090 -4.225 -12.205 1.00 0.00 H new ATOM 425 N ILE A 29 4.489 -0.415 -8.844 1.00 0.00 N ATOM 426 CA ILE A 29 3.475 0.441 -8.241 1.00 0.00 C ATOM 427 C ILE A 29 3.664 1.895 -8.659 1.00 0.00 C ATOM 428 O ILE A 29 2.695 2.610 -8.911 1.00 0.00 O ATOM 429 CB ILE A 29 3.505 0.352 -6.704 1.00 0.00 C ATOM 430 CG1 ILE A 29 2.989 -1.011 -6.239 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.679 1.474 -6.092 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.705 -1.434 -6.918 1.00 0.00 C ATOM 0 H ILE A 29 5.346 -0.504 -8.298 1.00 0.00 H new ATOM 0 HA ILE A 29 2.509 0.086 -8.598 1.00 0.00 H new ATOM 0 HB ILE A 29 4.536 0.462 -6.369 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.755 -1.764 -6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.828 -0.981 -5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.710 1.397 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.088 2.436 -6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.647 1.393 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.398 -2.409 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.925 -0.702 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.866 -1.496 -7.994 1.00 0.00 H new ATOM 444 N ALA A 30 4.919 2.326 -8.732 1.00 0.00 N ATOM 445 CA ALA A 30 5.236 3.694 -9.123 1.00 0.00 C ATOM 446 C ALA A 30 4.633 4.029 -10.483 1.00 0.00 C ATOM 447 O ALA A 30 4.592 5.192 -10.886 1.00 0.00 O ATOM 448 CB ALA A 30 6.743 3.900 -9.147 1.00 0.00 C ATOM 0 H ALA A 30 5.733 1.747 -8.525 1.00 0.00 H new ATOM 0 HA ALA A 30 4.800 4.367 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.965 4.926 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.152 3.710 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.193 3.212 -9.863 1.00 0.00 H new ATOM 454 N LYS A 31 4.166 3.004 -11.187 1.00 0.00 N ATOM 455 CA LYS A 31 3.564 3.189 -12.502 1.00 0.00 C ATOM 456 C LYS A 31 2.043 3.101 -12.422 1.00 0.00 C ATOM 457 O LYS A 31 1.333 3.967 -12.935 1.00 0.00 O ATOM 458 CB LYS A 31 4.095 2.139 -13.481 1.00 0.00 C ATOM 459 CG LYS A 31 4.347 0.784 -12.842 1.00 0.00 C ATOM 460 CD LYS A 31 4.861 -0.224 -13.856 1.00 0.00 C ATOM 461 CE LYS A 31 6.364 -0.099 -14.054 1.00 0.00 C ATOM 462 NZ LYS A 31 6.829 -0.841 -15.258 1.00 0.00 N ATOM 0 H LYS A 31 4.193 2.035 -10.869 1.00 0.00 H new ATOM 0 HA LYS A 31 3.835 4.182 -12.861 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.381 2.020 -14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.024 2.502 -13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.071 0.891 -12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.424 0.414 -12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.620 -1.233 -13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.354 -0.074 -14.809 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.631 0.953 -14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.879 -0.479 -13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.858 -0.731 -15.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.597 -1.850 -15.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.357 -0.462 -16.103 1.00 0.00 H new ATOM 476 N VAL A 32 1.549 2.051 -11.773 1.00 0.00 N ATOM 477 CA VAL A 32 0.112 1.853 -11.623 1.00 0.00 C ATOM 478 C VAL A 32 -0.507 2.946 -10.760 1.00 0.00 C ATOM 479 O VAL A 32 -1.674 3.300 -10.928 1.00 0.00 O ATOM 480 CB VAL A 32 -0.202 0.481 -10.998 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.544 -0.624 -11.731 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.145 0.478 -9.517 1.00 0.00 C ATOM 0 H VAL A 32 2.122 1.325 -11.343 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.320 1.897 -12.623 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.271 0.292 -11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.309 -1.586 -11.275 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.241 -0.635 -12.778 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.617 -0.444 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.083 -0.499 -9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.207 0.689 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.440 1.242 -9.005 1.00 0.00 H new ATOM 492 N THR A 33 0.284 3.480 -9.834 1.00 0.00 N ATOM 493 CA THR A 33 -0.186 4.533 -8.943 1.00 0.00 C ATOM 494 C THR A 33 0.892 5.588 -8.722 1.00 0.00 C ATOM 495 O THR A 33 1.985 5.280 -8.248 1.00 0.00 O ATOM 496 CB THR A 33 -0.618 3.964 -7.578 1.00 0.00 C ATOM 497 OG1 THR A 33 0.529 3.515 -6.849 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.594 2.810 -7.758 1.00 0.00 C ATOM 0 H THR A 33 1.253 3.200 -9.682 1.00 0.00 H new ATOM 0 HA THR A 33 -1.048 4.993 -9.426 1.00 0.00 H new ATOM 0 HB THR A 33 -1.115 4.757 -7.019 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.334 3.939 -7.213 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.885 2.424 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.479 3.161 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.117 2.017 -8.334 1.00 0.00 H new ATOM 506 N GLU A 34 0.576 6.832 -9.067 1.00 0.00 N ATOM 507 CA GLU A 34 1.520 7.932 -8.906 1.00 0.00 C ATOM 508 C GLU A 34 1.341 8.607 -7.549 1.00 0.00 C ATOM 509 O GLU A 34 0.236 9.002 -7.181 1.00 0.00 O ATOM 510 CB GLU A 34 1.338 8.958 -10.027 1.00 0.00 C ATOM 511 CG GLU A 34 2.074 8.598 -11.306 1.00 0.00 C ATOM 512 CD GLU A 34 2.080 9.731 -12.314 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.155 10.903 -11.889 1.00 0.00 O ATOM 514 OE2 GLU A 34 2.011 9.446 -13.528 1.00 0.00 O ATOM 0 H GLU A 34 -0.326 7.103 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 34 2.529 7.523 -8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.275 9.060 -10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.686 9.930 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.102 8.326 -11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.608 7.720 -11.754 1.00 0.00 H new ATOM 521 N GLY A 35 2.439 8.737 -6.810 1.00 0.00 N ATOM 522 CA GLY A 35 2.383 9.364 -5.503 1.00 0.00 C ATOM 523 C GLY A 35 2.895 8.457 -4.402 1.00 0.00 C ATOM 524 O GLY A 35 2.672 8.716 -3.219 1.00 0.00 O ATOM 0 H GLY A 35 3.366 8.419 -7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.973 10.281 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.354 9.650 -5.285 1.00 0.00 H new ATOM 528 N VAL A 36 3.584 7.388 -4.791 1.00 0.00 N ATOM 529 CA VAL A 36 4.129 6.438 -3.828 1.00 0.00 C ATOM 530 C VAL A 36 5.485 6.901 -3.307 1.00 0.00 C ATOM 531 O VAL A 36 6.360 7.290 -4.082 1.00 0.00 O ATOM 532 CB VAL A 36 4.281 5.036 -4.448 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.101 4.722 -5.355 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.593 4.930 -5.210 1.00 0.00 C ATOM 0 H VAL A 36 3.778 7.159 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 36 3.423 6.386 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 36 4.295 4.301 -3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.226 3.728 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.178 4.754 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.052 5.459 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.684 3.933 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.612 5.673 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.425 5.108 -4.528 1.00 0.00 H new ATOM 544 N LEU A 37 5.653 6.856 -1.991 1.00 0.00 N ATOM 545 CA LEU A 37 6.904 7.270 -1.364 1.00 0.00 C ATOM 546 C LEU A 37 7.865 6.092 -1.235 1.00 0.00 C ATOM 547 O LEU A 37 9.025 6.178 -1.637 1.00 0.00 O ATOM 548 CB LEU A 37 6.632 7.874 0.014 1.00 0.00 C ATOM 549 CG LEU A 37 7.622 8.938 0.488 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.673 10.096 -0.497 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.247 9.434 1.877 1.00 0.00 C ATOM 0 H LEU A 37 4.939 6.537 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 37 7.367 8.025 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.634 8.313 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.619 7.067 0.746 1.00 0.00 H new ATOM 0 HG LEU A 37 8.613 8.487 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.383 10.844 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.989 9.729 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.684 10.546 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.962 10.191 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.247 9.868 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.262 8.599 2.578 1.00 0.00 H new ATOM 563 N ASP A 38 7.373 4.993 -0.675 1.00 0.00 N ATOM 564 CA ASP A 38 8.186 3.796 -0.496 1.00 0.00 C ATOM 565 C ASP A 38 7.308 2.573 -0.250 1.00 0.00 C ATOM 566 O ASP A 38 6.132 2.700 0.091 1.00 0.00 O ATOM 567 CB ASP A 38 9.158 3.984 0.669 1.00 0.00 C ATOM 568 CG ASP A 38 10.367 3.074 0.568 1.00 0.00 C ATOM 569 OD1 ASP A 38 10.649 2.585 -0.546 1.00 0.00 O ATOM 570 OD2 ASP A 38 11.031 2.853 1.601 1.00 0.00 O ATOM 0 H ASP A 38 6.415 4.906 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 38 8.755 3.633 -1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.490 5.022 0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.638 3.790 1.607 1.00 0.00 H new ATOM 575 N VAL A 39 7.886 1.390 -0.427 1.00 0.00 N ATOM 576 CA VAL A 39 7.156 0.144 -0.225 1.00 0.00 C ATOM 577 C VAL A 39 7.756 -0.665 0.920 1.00 0.00 C ATOM 578 O VAL A 39 8.977 -0.754 1.056 1.00 0.00 O ATOM 579 CB VAL A 39 7.152 -0.718 -1.501 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.736 -2.145 -1.180 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.235 -0.110 -2.552 1.00 0.00 C ATOM 0 H VAL A 39 8.858 1.268 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 39 6.130 0.415 0.024 1.00 0.00 H new ATOM 0 HB VAL A 39 8.164 -0.742 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.739 -2.739 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.436 -2.576 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.734 -2.144 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.244 -0.732 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.219 -0.053 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.583 0.892 -2.803 1.00 0.00 H new ATOM 591 N ILE A 40 6.891 -1.252 1.739 1.00 0.00 N ATOM 592 CA ILE A 40 7.335 -2.055 2.872 1.00 0.00 C ATOM 593 C ILE A 40 6.862 -3.499 2.741 1.00 0.00 C ATOM 594 O ILE A 40 5.782 -3.764 2.213 1.00 0.00 O ATOM 595 CB ILE A 40 6.826 -1.478 4.206 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.156 0.013 4.301 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.433 -2.236 5.377 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.093 0.907 3.702 1.00 0.00 C ATOM 0 H ILE A 40 5.878 -1.187 1.640 1.00 0.00 H new ATOM 0 HA ILE A 40 8.425 -2.030 2.868 1.00 0.00 H new ATOM 0 HB ILE A 40 5.743 -1.594 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.295 0.280 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.103 0.200 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.064 -1.816 6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.152 -3.287 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.519 -2.148 5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.394 1.950 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.969 0.668 2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.149 0.749 4.223 1.00 0.00 H new ATOM 610 N VAL A 41 7.678 -4.429 3.228 1.00 0.00 N ATOM 611 CA VAL A 41 7.342 -5.847 3.169 1.00 0.00 C ATOM 612 C VAL A 41 7.326 -6.466 4.561 1.00 0.00 C ATOM 613 O VAL A 41 8.225 -6.227 5.369 1.00 0.00 O ATOM 614 CB VAL A 41 8.336 -6.623 2.285 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.725 -6.609 2.905 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.855 -8.049 2.067 1.00 0.00 C ATOM 0 H VAL A 41 8.576 -4.226 3.667 1.00 0.00 H new ATOM 0 HA VAL A 41 6.346 -5.918 2.732 1.00 0.00 H new ATOM 0 HB VAL A 41 8.392 -6.131 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.414 -7.162 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.069 -5.579 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.689 -7.075 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.570 -8.582 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.768 -8.555 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.882 -8.034 1.576 1.00 0.00 H new ATOM 626 N TYR A 42 6.300 -7.263 4.837 1.00 0.00 N ATOM 627 CA TYR A 42 6.165 -7.916 6.133 1.00 0.00 C ATOM 628 C TYR A 42 6.618 -9.371 6.060 1.00 0.00 C ATOM 629 O TYR A 42 5.971 -10.203 5.423 1.00 0.00 O ATOM 630 CB TYR A 42 4.716 -7.845 6.616 1.00 0.00 C ATOM 631 CG TYR A 42 4.403 -6.598 7.412 1.00 0.00 C ATOM 632 CD1 TYR A 42 4.641 -5.335 6.885 1.00 0.00 C ATOM 633 CD2 TYR A 42 3.869 -6.684 8.692 1.00 0.00 C ATOM 634 CE1 TYR A 42 4.357 -4.194 7.609 1.00 0.00 C ATOM 635 CE2 TYR A 42 3.581 -5.547 9.423 1.00 0.00 C ATOM 636 CZ TYR A 42 3.828 -4.305 8.878 1.00 0.00 C ATOM 637 OH TYR A 42 3.543 -3.170 9.602 1.00 0.00 O ATOM 0 H TYR A 42 5.549 -7.472 4.180 1.00 0.00 H new ATOM 0 HA TYR A 42 6.803 -7.391 6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.052 -7.891 5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.503 -8.720 7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.055 -5.244 5.892 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.676 -7.655 9.123 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.548 -3.220 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.165 -5.631 10.416 1.00 0.00 H new ATOM 0 HH TYR A 42 3.175 -3.422 10.475 1.00 0.00 H new ATOM 647 N ALA A 43 7.733 -9.671 6.717 1.00 0.00 N ATOM 648 CA ALA A 43 8.272 -11.025 6.729 1.00 0.00 C ATOM 649 C ALA A 43 9.440 -11.143 7.702 1.00 0.00 C ATOM 650 O ALA A 43 10.078 -10.147 8.045 1.00 0.00 O ATOM 651 CB ALA A 43 8.706 -11.434 5.329 1.00 0.00 C ATOM 0 H ALA A 43 8.281 -8.994 7.248 1.00 0.00 H new ATOM 0 HA ALA A 43 7.484 -11.699 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.106 -12.447 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.848 -11.399 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.475 -10.749 4.972 1.00 0.00 H new ATOM 657 N SER A 44 9.715 -12.365 8.145 1.00 0.00 N ATOM 658 CA SER A 44 10.804 -12.612 9.083 1.00 0.00 C ATOM 659 C SER A 44 12.153 -12.570 8.372 1.00 0.00 C ATOM 660 O SER A 44 12.603 -13.570 7.812 1.00 0.00 O ATOM 661 CB SER A 44 10.618 -13.967 9.769 1.00 0.00 C ATOM 662 OG SER A 44 9.831 -13.841 10.941 1.00 0.00 O ATOM 0 H SER A 44 9.199 -13.200 7.869 1.00 0.00 H new ATOM 0 HA SER A 44 10.786 -11.826 9.838 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.141 -14.665 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.591 -14.386 10.024 1.00 0.00 H new ATOM 0 HG SER A 44 9.725 -14.721 11.360 1.00 0.00 H new ATOM 668 N ALA A 45 12.794 -11.406 8.400 1.00 0.00 N ATOM 669 CA ALA A 45 14.092 -11.234 7.760 1.00 0.00 C ATOM 670 C ALA A 45 14.151 -11.974 6.428 1.00 0.00 C ATOM 671 O ALA A 45 15.226 -12.350 5.964 1.00 0.00 O ATOM 672 CB ALA A 45 15.203 -11.714 8.683 1.00 0.00 C ATOM 0 H ALA A 45 12.435 -10.569 8.859 1.00 0.00 H new ATOM 0 HA ALA A 45 14.233 -10.172 7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 45 16.167 -11.580 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.183 -11.137 9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.056 -12.770 8.911 1.00 0.00 H new ATOM 678 N ALA A 46 12.988 -12.179 5.819 1.00 0.00 N ATOM 679 CA ALA A 46 12.907 -12.873 4.540 1.00 0.00 C ATOM 680 C ALA A 46 11.487 -12.842 3.987 1.00 0.00 C ATOM 681 O ALA A 46 10.541 -13.263 4.654 1.00 0.00 O ATOM 682 CB ALA A 46 13.388 -14.309 4.687 1.00 0.00 C ATOM 0 H ALA A 46 12.089 -11.874 6.191 1.00 0.00 H new ATOM 0 HA ALA A 46 13.555 -12.355 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.322 -14.815 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.423 -14.313 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.764 -14.829 5.414 1.00 0.00 H new ATOM 688 N ASP A 47 11.343 -12.342 2.765 1.00 0.00 N ATOM 689 CA ASP A 47 10.037 -12.257 2.122 1.00 0.00 C ATOM 690 C ASP A 47 9.493 -13.648 1.811 1.00 0.00 C ATOM 691 O ASP A 47 8.300 -13.908 1.967 1.00 0.00 O ATOM 692 CB ASP A 47 10.131 -11.433 0.836 1.00 0.00 C ATOM 693 CG ASP A 47 10.804 -12.192 -0.290 1.00 0.00 C ATOM 694 OD1 ASP A 47 12.049 -12.148 -0.375 1.00 0.00 O ATOM 695 OD2 ASP A 47 10.085 -12.832 -1.086 1.00 0.00 O ATOM 0 H ASP A 47 12.115 -11.989 2.199 1.00 0.00 H new ATOM 0 HA ASP A 47 9.351 -11.764 2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.129 -11.138 0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.686 -10.516 1.035 1.00 0.00 H new ATOM 700 N LYS A 48 10.375 -14.538 1.369 1.00 0.00 N ATOM 701 CA LYS A 48 9.985 -15.902 1.036 1.00 0.00 C ATOM 702 C LYS A 48 10.239 -16.843 2.210 1.00 0.00 C ATOM 703 O LYS A 48 10.778 -17.935 2.036 1.00 0.00 O ATOM 704 CB LYS A 48 10.751 -16.388 -0.196 1.00 0.00 C ATOM 705 CG LYS A 48 10.047 -17.503 -0.950 1.00 0.00 C ATOM 706 CD LYS A 48 10.907 -18.039 -2.083 1.00 0.00 C ATOM 707 CE LYS A 48 12.095 -18.829 -1.555 1.00 0.00 C ATOM 708 NZ LYS A 48 12.967 -19.321 -2.657 1.00 0.00 N ATOM 0 H LYS A 48 11.366 -14.338 1.233 1.00 0.00 H new ATOM 0 HA LYS A 48 8.917 -15.904 0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.907 -15.547 -0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.737 -16.736 0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.805 -18.313 -0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.104 -17.133 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.303 -18.676 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.263 -17.210 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.679 -18.201 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.737 -19.676 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.765 -19.854 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.417 -19.941 -3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.329 -18.512 -3.200 1.00 0.00 H new ATOM 722 N MET A 49 9.847 -16.412 3.404 1.00 0.00 N ATOM 723 CA MET A 49 10.031 -17.217 4.606 1.00 0.00 C ATOM 724 C MET A 49 8.719 -17.870 5.029 1.00 0.00 C ATOM 725 O MET A 49 8.658 -19.079 5.252 1.00 0.00 O ATOM 726 CB MET A 49 10.576 -16.355 5.746 1.00 0.00 C ATOM 727 CG MET A 49 10.561 -17.052 7.096 1.00 0.00 C ATOM 728 SD MET A 49 11.830 -16.427 8.215 1.00 0.00 S ATOM 729 CE MET A 49 13.312 -17.064 7.435 1.00 0.00 C ATOM 0 H MET A 49 9.400 -15.510 3.565 1.00 0.00 H new ATOM 0 HA MET A 49 10.751 -18.003 4.379 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.598 -16.060 5.510 1.00 0.00 H new ATOM 0 HB3 MET A 49 9.987 -15.440 5.812 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.581 -16.923 7.556 1.00 0.00 H new ATOM 0 HG3 MET A 49 10.706 -18.122 6.950 1.00 0.00 H new ATOM 0 HE1 MET A 49 13.966 -17.494 8.193 1.00 0.00 H new ATOM 0 HE2 MET A 49 13.041 -17.833 6.712 1.00 0.00 H new ATOM 0 HE3 MET A 49 13.832 -16.253 6.925 1.00 0.00 H new ATOM 739 N LYS A 50 7.670 -17.062 5.138 1.00 0.00 N ATOM 740 CA LYS A 50 6.358 -17.560 5.534 1.00 0.00 C ATOM 741 C LYS A 50 5.441 -17.700 4.323 1.00 0.00 C ATOM 742 O LYS A 50 4.240 -17.923 4.465 1.00 0.00 O ATOM 743 CB LYS A 50 5.722 -16.621 6.562 1.00 0.00 C ATOM 744 CG LYS A 50 4.634 -17.278 7.394 1.00 0.00 C ATOM 745 CD LYS A 50 3.878 -16.258 8.229 1.00 0.00 C ATOM 746 CE LYS A 50 2.550 -16.813 8.720 1.00 0.00 C ATOM 747 NZ LYS A 50 1.461 -16.604 7.726 1.00 0.00 N ATOM 0 H LYS A 50 7.703 -16.059 4.958 1.00 0.00 H new ATOM 0 HA LYS A 50 6.491 -18.544 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.499 -16.244 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.301 -15.760 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.938 -17.800 6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.078 -18.028 8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.488 -15.962 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.701 -15.360 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.655 -17.878 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.281 -16.332 9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.572 -16.996 8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.343 -15.586 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.706 -17.084 6.837 1.00 0.00 H new ATOM 761 N ASN A 51 6.017 -17.570 3.132 1.00 0.00 N ATOM 762 CA ASN A 51 5.252 -17.683 1.896 1.00 0.00 C ATOM 763 C ASN A 51 4.160 -16.619 1.833 1.00 0.00 C ATOM 764 O ASN A 51 3.015 -16.910 1.485 1.00 0.00 O ATOM 765 CB ASN A 51 4.629 -19.076 1.783 1.00 0.00 C ATOM 766 CG ASN A 51 5.655 -20.182 1.939 1.00 0.00 C ATOM 767 OD1 ASN A 51 6.859 -19.926 1.979 1.00 0.00 O ATOM 768 ND2 ASN A 51 5.182 -21.420 2.027 1.00 0.00 N ATOM 0 H ASN A 51 7.011 -17.386 2.997 1.00 0.00 H new ATOM 0 HA ASN A 51 5.934 -17.528 1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.858 -19.189 2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.137 -19.174 0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.825 -22.205 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.176 -21.586 1.989 1.00 0.00 H new ATOM 775 N ARG A 52 4.522 -15.386 2.172 1.00 0.00 N ATOM 776 CA ARG A 52 3.574 -14.279 2.154 1.00 0.00 C ATOM 777 C ARG A 52 3.493 -13.654 0.765 1.00 0.00 C ATOM 778 O ARG A 52 4.514 -13.355 0.148 1.00 0.00 O ATOM 779 CB ARG A 52 3.977 -13.218 3.180 1.00 0.00 C ATOM 780 CG ARG A 52 4.099 -13.756 4.597 1.00 0.00 C ATOM 781 CD ARG A 52 3.825 -12.673 5.629 1.00 0.00 C ATOM 782 NE ARG A 52 4.542 -12.914 6.878 1.00 0.00 N ATOM 783 CZ ARG A 52 4.353 -12.201 7.983 1.00 0.00 C ATOM 784 NH1 ARG A 52 3.475 -11.208 7.993 1.00 0.00 N ATOM 785 NH2 ARG A 52 5.043 -12.481 9.081 1.00 0.00 N ATOM 0 H ARG A 52 5.465 -15.129 2.462 1.00 0.00 H new ATOM 0 HA ARG A 52 2.591 -14.672 2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.930 -12.781 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.241 -12.415 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.398 -14.579 4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.100 -14.160 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.117 -11.704 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.755 -12.625 5.829 1.00 0.00 H new ATOM 0 HE ARG A 52 5.225 -13.671 6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.942 -10.990 7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.332 -10.662 8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.719 -13.244 9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.897 -11.933 9.929 1.00 0.00 H new ATOM 799 N GLY A 53 2.271 -13.461 0.278 1.00 0.00 N ATOM 800 CA GLY A 53 2.080 -12.874 -1.035 1.00 0.00 C ATOM 801 C GLY A 53 1.390 -11.525 -0.972 1.00 0.00 C ATOM 802 O GLY A 53 0.262 -11.374 -1.442 1.00 0.00 O ATOM 0 H GLY A 53 1.410 -13.701 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.048 -12.761 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.489 -13.552 -1.651 1.00 0.00 H new ATOM 806 N PHE A 54 2.068 -10.542 -0.389 1.00 0.00 N ATOM 807 CA PHE A 54 1.513 -9.200 -0.264 1.00 0.00 C ATOM 808 C PHE A 54 2.615 -8.177 -0.003 1.00 0.00 C ATOM 809 O PHE A 54 3.754 -8.538 0.290 1.00 0.00 O ATOM 810 CB PHE A 54 0.482 -9.155 0.866 1.00 0.00 C ATOM 811 CG PHE A 54 0.364 -7.806 1.516 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.339 -7.357 2.393 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.722 -6.987 1.251 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.232 -6.117 2.993 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.834 -5.746 1.848 1.00 0.00 C ATOM 816 CZ PHE A 54 0.145 -5.310 2.720 1.00 0.00 C ATOM 0 H PHE A 54 3.003 -10.650 0.004 1.00 0.00 H new ATOM 0 HA PHE A 54 1.023 -8.948 -1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.491 -9.445 0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.752 -9.892 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.192 -7.983 2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.490 -7.323 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.998 -5.779 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.686 -5.118 1.633 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.060 -4.340 3.187 1.00 0.00 H new ATOM 826 N ALA A 55 2.266 -6.899 -0.112 1.00 0.00 N ATOM 827 CA ALA A 55 3.224 -5.824 0.113 1.00 0.00 C ATOM 828 C ALA A 55 2.517 -4.534 0.514 1.00 0.00 C ATOM 829 O ALA A 55 1.339 -4.340 0.213 1.00 0.00 O ATOM 830 CB ALA A 55 4.068 -5.600 -1.133 1.00 0.00 C ATOM 0 H ALA A 55 1.327 -6.583 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 55 3.878 -6.119 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.779 -4.794 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.610 -6.514 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.421 -5.331 -1.967 1.00 0.00 H new ATOM 836 N PHE A 56 3.243 -3.655 1.196 1.00 0.00 N ATOM 837 CA PHE A 56 2.684 -2.383 1.641 1.00 0.00 C ATOM 838 C PHE A 56 3.255 -1.224 0.828 1.00 0.00 C ATOM 839 O PHE A 56 4.453 -1.177 0.551 1.00 0.00 O ATOM 840 CB PHE A 56 2.971 -2.167 3.128 1.00 0.00 C ATOM 841 CG PHE A 56 1.896 -2.703 4.030 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.608 -2.196 3.972 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.174 -3.714 4.936 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.384 -2.687 4.800 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.186 -4.210 5.766 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.094 -3.694 5.699 1.00 0.00 C ATOM 0 H PHE A 56 4.220 -3.800 1.453 1.00 0.00 H new ATOM 0 HA PHE A 56 1.605 -2.416 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.918 -2.645 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.093 -1.100 3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.376 -1.408 3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.174 -4.119 4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.384 -2.284 4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.414 -5.000 6.466 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.867 -4.078 6.349 1.00 0.00 H new ATOM 856 N VAL A 57 2.387 -0.292 0.449 1.00 0.00 N ATOM 857 CA VAL A 57 2.803 0.868 -0.332 1.00 0.00 C ATOM 858 C VAL A 57 2.452 2.167 0.384 1.00 0.00 C ATOM 859 O VAL A 57 1.280 2.518 0.513 1.00 0.00 O ATOM 860 CB VAL A 57 2.149 0.870 -1.726 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.941 1.743 -2.687 1.00 0.00 C ATOM 862 CG2 VAL A 57 2.028 -0.550 -2.259 1.00 0.00 C ATOM 0 H VAL A 57 1.391 -0.317 0.670 1.00 0.00 H new ATOM 0 HA VAL A 57 3.885 0.801 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 57 1.146 1.288 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.463 1.732 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.971 2.765 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.957 1.359 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.564 -0.530 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.020 -0.996 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.414 -1.142 -1.581 1.00 0.00 H new ATOM 872 N GLU A 58 3.477 2.876 0.847 1.00 0.00 N ATOM 873 CA GLU A 58 3.276 4.138 1.551 1.00 0.00 C ATOM 874 C GLU A 58 3.215 5.305 0.570 1.00 0.00 C ATOM 875 O GLU A 58 4.087 5.455 -0.287 1.00 0.00 O ATOM 876 CB GLU A 58 4.399 4.367 2.565 1.00 0.00 C ATOM 877 CG GLU A 58 3.984 5.222 3.750 1.00 0.00 C ATOM 878 CD GLU A 58 5.154 5.955 4.378 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.231 5.340 4.522 1.00 0.00 O ATOM 880 OE2 GLU A 58 4.991 7.143 4.726 1.00 0.00 O ATOM 0 H GLU A 58 4.454 2.599 0.748 1.00 0.00 H new ATOM 0 HA GLU A 58 2.325 4.081 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.750 3.402 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.240 4.843 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.237 5.947 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.510 4.590 4.501 1.00 0.00 H new ATOM 887 N TYR A 59 2.181 6.127 0.701 1.00 0.00 N ATOM 888 CA TYR A 59 2.004 7.279 -0.176 1.00 0.00 C ATOM 889 C TYR A 59 2.192 8.583 0.594 1.00 0.00 C ATOM 890 O TYR A 59 1.561 8.802 1.627 1.00 0.00 O ATOM 891 CB TYR A 59 0.617 7.248 -0.820 1.00 0.00 C ATOM 892 CG TYR A 59 0.429 6.113 -1.801 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.128 4.831 -1.360 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.553 6.324 -3.169 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.044 3.791 -2.253 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.382 5.290 -4.069 1.00 0.00 C ATOM 897 CZ TYR A 59 0.084 4.026 -3.606 1.00 0.00 C ATOM 898 OH TYR A 59 -0.087 2.992 -4.499 1.00 0.00 O ATOM 0 H TYR A 59 1.452 6.018 1.406 1.00 0.00 H new ATOM 0 HA TYR A 59 2.761 7.228 -0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.136 7.168 -0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.443 8.193 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.027 4.644 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.787 7.313 -3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.277 2.800 -1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.481 5.471 -5.129 1.00 0.00 H new ATOM 0 HH TYR A 59 0.480 3.141 -5.285 1.00 0.00 H new ATOM 908 N GLU A 60 3.064 9.445 0.080 1.00 0.00 N ATOM 909 CA GLU A 60 3.335 10.728 0.719 1.00 0.00 C ATOM 910 C GLU A 60 2.040 11.497 0.966 1.00 0.00 C ATOM 911 O GLU A 60 1.793 11.979 2.072 1.00 0.00 O ATOM 912 CB GLU A 60 4.280 11.564 -0.146 1.00 0.00 C ATOM 913 CG GLU A 60 3.810 11.722 -1.583 1.00 0.00 C ATOM 914 CD GLU A 60 4.829 12.429 -2.455 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.265 13.537 -2.078 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.191 11.874 -3.514 1.00 0.00 O ATOM 0 H GLU A 60 3.594 9.279 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 60 3.811 10.533 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.391 12.552 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.267 11.100 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.598 10.738 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.875 12.282 -1.596 1.00 0.00 H new ATOM 923 N SER A 61 1.217 11.608 -0.071 1.00 0.00 N ATOM 924 CA SER A 61 -0.050 12.321 0.031 1.00 0.00 C ATOM 925 C SER A 61 -1.167 11.385 0.483 1.00 0.00 C ATOM 926 O SER A 61 -1.436 10.367 -0.156 1.00 0.00 O ATOM 927 CB SER A 61 -0.414 12.954 -1.313 1.00 0.00 C ATOM 928 OG SER A 61 -1.477 13.880 -1.171 1.00 0.00 O ATOM 0 H SER A 61 1.405 11.213 -0.992 1.00 0.00 H new ATOM 0 HA SER A 61 0.065 13.108 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.458 13.458 -1.729 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.699 12.175 -2.020 1.00 0.00 H new ATOM 0 HG SER A 61 -1.689 14.271 -2.044 1.00 0.00 H new ATOM 934 N HIS A 62 -1.813 11.735 1.591 1.00 0.00 N ATOM 935 CA HIS A 62 -2.901 10.927 2.129 1.00 0.00 C ATOM 936 C HIS A 62 -3.873 10.519 1.026 1.00 0.00 C ATOM 937 O HIS A 62 -4.459 9.438 1.070 1.00 0.00 O ATOM 938 CB HIS A 62 -3.645 11.697 3.221 1.00 0.00 C ATOM 939 CG HIS A 62 -4.572 10.844 4.030 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.494 9.989 3.464 1.00 0.00 N ATOM 941 CD2 HIS A 62 -4.715 10.716 5.370 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.165 9.373 4.421 1.00 0.00 C ATOM 943 NE2 HIS A 62 -5.712 9.797 5.587 1.00 0.00 N ATOM 0 H HIS A 62 -1.602 12.573 2.133 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.470 10.024 2.561 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.917 12.161 3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.216 12.504 2.761 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.636 9.853 2.463 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.150 11.239 6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.950 8.646 4.275 1.00 0.00 H new ATOM 951 N ARG A 63 -4.039 11.393 0.038 1.00 0.00 N ATOM 952 CA ARG A 63 -4.941 11.124 -1.075 1.00 0.00 C ATOM 953 C ARG A 63 -4.270 10.233 -2.116 1.00 0.00 C ATOM 954 O ARG A 63 -4.884 9.304 -2.640 1.00 0.00 O ATOM 955 CB ARG A 63 -5.389 12.435 -1.724 1.00 0.00 C ATOM 956 CG ARG A 63 -6.456 12.253 -2.791 1.00 0.00 C ATOM 957 CD ARG A 63 -7.815 11.958 -2.176 1.00 0.00 C ATOM 958 NE ARG A 63 -8.473 13.170 -1.696 1.00 0.00 N ATOM 959 CZ ARG A 63 -8.883 14.150 -2.494 1.00 0.00 C ATOM 960 NH1 ARG A 63 -8.704 14.060 -3.804 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.474 15.221 -1.981 1.00 0.00 N ATOM 0 H ARG A 63 -3.561 12.293 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.814 10.602 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.771 13.102 -0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.523 12.925 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.519 13.154 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.172 11.437 -3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.449 11.470 -2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.694 11.259 -1.348 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.626 13.270 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.251 13.237 -4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.020 14.813 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.614 15.293 -0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.788 15.973 -2.594 1.00 0.00 H new ATOM 975 N ALA A 64 -3.007 10.524 -2.411 1.00 0.00 N ATOM 976 CA ALA A 64 -2.253 9.748 -3.387 1.00 0.00 C ATOM 977 C ALA A 64 -2.560 8.260 -3.262 1.00 0.00 C ATOM 978 O ALA A 64 -2.466 7.513 -4.235 1.00 0.00 O ATOM 979 CB ALA A 64 -0.761 9.997 -3.220 1.00 0.00 C ATOM 0 H ALA A 64 -2.485 11.291 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.555 10.072 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.210 9.411 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.550 11.056 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.453 9.702 -2.217 1.00 0.00 H new ATOM 985 N ALA A 65 -2.927 7.835 -2.057 1.00 0.00 N ATOM 986 CA ALA A 65 -3.249 6.436 -1.805 1.00 0.00 C ATOM 987 C ALA A 65 -4.740 6.173 -1.995 1.00 0.00 C ATOM 988 O ALA A 65 -5.133 5.141 -2.536 1.00 0.00 O ATOM 989 CB ALA A 65 -2.816 6.039 -0.402 1.00 0.00 C ATOM 0 H ALA A 65 -3.009 8.440 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.704 5.828 -2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.063 4.992 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.740 6.180 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.335 6.660 0.328 1.00 0.00 H new ATOM 995 N ALA A 66 -5.563 7.115 -1.546 1.00 0.00 N ATOM 996 CA ALA A 66 -7.010 6.985 -1.667 1.00 0.00 C ATOM 997 C ALA A 66 -7.436 6.936 -3.131 1.00 0.00 C ATOM 998 O ALA A 66 -8.342 6.190 -3.499 1.00 0.00 O ATOM 999 CB ALA A 66 -7.705 8.134 -0.951 1.00 0.00 C ATOM 0 H ALA A 66 -5.253 7.976 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.306 6.047 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.785 8.024 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.434 8.122 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.395 9.080 -1.395 1.00 0.00 H new ATOM 1005 N MET A 67 -6.776 7.738 -3.961 1.00 0.00 N ATOM 1006 CA MET A 67 -7.087 7.785 -5.385 1.00 0.00 C ATOM 1007 C MET A 67 -6.270 6.752 -6.154 1.00 0.00 C ATOM 1008 O MET A 67 -6.539 6.480 -7.324 1.00 0.00 O ATOM 1009 CB MET A 67 -6.816 9.184 -5.942 1.00 0.00 C ATOM 1010 CG MET A 67 -5.363 9.614 -5.824 1.00 0.00 C ATOM 1011 SD MET A 67 -4.958 10.996 -6.909 1.00 0.00 S ATOM 1012 CE MET A 67 -3.526 10.346 -7.765 1.00 0.00 C ATOM 0 H MET A 67 -6.024 8.363 -3.672 1.00 0.00 H new ATOM 0 HA MET A 67 -8.144 7.551 -5.509 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.111 9.212 -6.991 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.443 9.903 -5.416 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.154 9.894 -4.792 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.717 8.769 -6.062 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.158 11.088 -8.474 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.743 10.116 -7.042 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.803 9.438 -8.301 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.270 6.181 -5.490 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.415 5.177 -6.112 1.00 0.00 C ATOM 1024 C ALA A 68 -5.044 3.791 -6.024 1.00 0.00 C ATOM 1025 O ALA A 68 -4.716 2.900 -6.809 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.040 5.178 -5.460 1.00 0.00 C ATOM 0 H ALA A 68 -5.032 6.396 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.305 5.431 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.412 4.424 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.581 6.160 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.140 4.951 -4.399 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.946 3.615 -5.065 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.619 2.335 -4.875 1.00 0.00 C ATOM 1034 C ARG A 69 -7.803 2.197 -5.827 1.00 0.00 C ATOM 1035 O ARG A 69 -8.073 1.112 -6.344 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.095 2.196 -3.428 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.836 3.418 -2.910 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.817 3.050 -1.808 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.759 4.130 -1.529 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.821 4.392 -2.283 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -11.075 3.655 -3.355 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.631 5.393 -1.964 1.00 0.00 N ATOM 0 H ARG A 69 -6.228 4.342 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.905 1.541 -5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.748 1.326 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.234 2.006 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.119 4.146 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.372 3.895 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.368 2.155 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.266 2.806 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.593 4.715 -0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.454 2.884 -3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.891 3.858 -3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.439 5.962 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.446 5.594 -2.543 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.507 3.301 -6.053 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.663 3.302 -6.941 1.00 0.00 C ATOM 1058 C ARG A 70 -9.255 2.936 -8.365 1.00 0.00 C ATOM 1059 O ARG A 70 -10.104 2.739 -9.235 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.340 4.674 -6.930 1.00 0.00 C ATOM 1061 CG ARG A 70 -9.589 5.730 -7.726 1.00 0.00 C ATOM 1062 CD ARG A 70 -10.461 6.946 -7.999 1.00 0.00 C ATOM 1063 NE ARG A 70 -11.467 6.679 -9.023 1.00 0.00 N ATOM 1064 CZ ARG A 70 -11.184 6.544 -10.314 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -9.932 6.650 -10.736 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -12.155 6.303 -11.185 1.00 0.00 N ATOM 0 H ARG A 70 -8.297 4.207 -5.633 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.368 2.553 -6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.348 4.576 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.441 5.012 -5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.698 6.035 -7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.251 5.304 -8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.955 7.252 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.833 7.779 -8.316 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.440 6.591 -8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.183 6.836 -10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.718 6.546 -11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.120 6.221 -10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.937 6.199 -12.176 1.00 0.00 H new ATOM 1080 N LYS A 71 -7.950 2.845 -8.596 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.428 2.502 -9.914 1.00 0.00 C ATOM 1082 C LYS A 71 -7.165 1.003 -10.021 1.00 0.00 C ATOM 1083 O LYS A 71 -7.263 0.421 -11.102 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.138 3.277 -10.192 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.713 3.248 -11.650 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.584 4.227 -11.922 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.743 3.793 -13.112 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.765 4.841 -13.513 1.00 0.00 N ATOM 0 H LYS A 71 -7.234 3.004 -7.887 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.177 2.777 -10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.273 4.313 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.336 2.863 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.394 2.240 -11.917 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.566 3.490 -12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.998 5.218 -12.110 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.951 4.308 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.210 2.875 -12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.396 3.565 -13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.212 4.506 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.274 5.709 -13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.125 5.041 -12.718 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.833 0.383 -8.894 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.558 -1.049 -8.861 1.00 0.00 C ATOM 1104 C LEU A 72 -7.668 -1.800 -8.133 1.00 0.00 C ATOM 1105 O LEU A 72 -7.681 -3.030 -8.101 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.215 -1.315 -8.179 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.107 -0.298 -8.458 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.941 -0.503 -7.504 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.641 -0.402 -9.903 1.00 0.00 C ATOM 0 H LEU A 72 -6.748 0.850 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.514 -1.409 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.379 -1.357 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.863 -2.300 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.509 0.702 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.163 0.230 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.285 -0.378 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.538 -1.508 -7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.853 0.328 -10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.257 -1.405 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.479 -0.204 -10.571 1.00 0.00 H new ATOM 1121 N MET A 73 -8.599 -1.051 -7.550 1.00 0.00 N ATOM 1122 CA MET A 73 -9.715 -1.647 -6.826 1.00 0.00 C ATOM 1123 C MET A 73 -10.460 -2.648 -7.702 1.00 0.00 C ATOM 1124 O MET A 73 -10.687 -3.796 -7.320 1.00 0.00 O ATOM 1125 CB MET A 73 -10.677 -0.559 -6.344 1.00 0.00 C ATOM 1126 CG MET A 73 -11.283 -0.844 -4.979 1.00 0.00 C ATOM 1127 SD MET A 73 -12.379 -2.275 -4.991 1.00 0.00 S ATOM 1128 CE MET A 73 -11.667 -3.258 -3.674 1.00 0.00 C ATOM 0 H MET A 73 -8.602 -0.031 -7.565 1.00 0.00 H new ATOM 0 HA MET A 73 -9.313 -2.176 -5.962 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.146 0.392 -6.305 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.480 -0.447 -7.073 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.483 -1.010 -4.258 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.838 0.031 -4.642 1.00 0.00 H new ATOM 0 HE1 MET A 73 -12.237 -4.180 -3.559 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.633 -3.499 -3.919 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.697 -2.694 -2.742 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.850 -2.206 -8.907 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.575 -3.049 -9.863 1.00 0.00 C ATOM 1140 C PRO A 74 -10.699 -4.153 -10.443 1.00 0.00 C ATOM 1141 O PRO A 74 -11.161 -4.977 -11.231 1.00 0.00 O ATOM 1142 CB PRO A 74 -11.991 -2.065 -10.959 1.00 0.00 C ATOM 1143 CG PRO A 74 -10.990 -0.965 -10.881 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.614 -0.850 -9.429 1.00 0.00 C ATOM 0 HA PRO A 74 -12.413 -3.567 -9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.982 -2.539 -11.940 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.002 -1.693 -10.794 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.117 -1.188 -11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.409 -0.029 -11.251 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.574 -0.547 -9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.225 -0.109 -8.913 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.429 -4.164 -10.048 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.508 -5.173 -10.539 1.00 0.00 C ATOM 1154 C GLY A 75 -8.220 -5.023 -12.020 1.00 0.00 C ATOM 1155 O GLY A 75 -7.924 -6.003 -12.703 1.00 0.00 O ATOM 0 H GLY A 75 -9.022 -3.492 -9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.573 -5.109 -9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.924 -6.163 -10.351 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.310 -3.794 -12.517 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.060 -3.520 -13.927 1.00 0.00 C ATOM 1161 C ARG A 76 -6.575 -3.654 -14.252 1.00 0.00 C ATOM 1162 O ARG A 76 -6.204 -4.008 -15.371 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.548 -2.117 -14.291 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.056 -1.954 -14.197 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.757 -2.548 -15.409 1.00 0.00 C ATOM 1166 NE ARG A 76 -12.176 -2.204 -15.443 1.00 0.00 N ATOM 1167 CZ ARG A 76 -12.642 -1.049 -15.904 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -11.805 -0.131 -16.367 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -13.947 -0.810 -15.902 1.00 0.00 N ATOM 0 H ARG A 76 -8.554 -2.972 -11.964 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.611 -4.253 -14.516 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.071 -1.393 -13.631 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.228 -1.882 -15.306 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.420 -2.439 -13.291 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.304 -0.896 -14.114 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.275 -2.189 -16.319 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.647 -3.632 -15.396 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.846 -2.889 -15.093 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.801 -0.311 -16.370 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.165 0.755 -16.721 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.594 -1.514 -15.546 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.303 0.078 -16.256 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.731 -3.367 -13.267 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.287 -3.456 -13.448 1.00 0.00 C ATOM 1185 C ILE A 77 -3.712 -4.656 -12.704 1.00 0.00 C ATOM 1186 O ILE A 77 -3.981 -4.850 -11.518 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.579 -2.177 -12.961 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.009 -0.977 -13.808 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.069 -2.356 -13.013 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.291 -0.330 -13.332 1.00 0.00 C ATOM 0 H ILE A 77 -6.022 -3.071 -12.335 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.110 -3.576 -14.517 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.867 -1.990 -11.927 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.212 -0.233 -13.801 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.136 -1.299 -14.842 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.582 -1.444 -12.666 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.779 -3.189 -12.372 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.762 -2.563 -14.038 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.535 0.513 -13.979 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.101 -1.059 -13.365 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.162 0.023 -12.309 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.919 -5.457 -13.407 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.305 -6.638 -12.812 1.00 0.00 C ATOM 1204 C GLN A 78 -0.790 -6.482 -12.731 1.00 0.00 C ATOM 1205 O GLN A 78 -0.188 -5.748 -13.516 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.658 -7.886 -13.624 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.152 -8.155 -13.708 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.475 -9.427 -14.466 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.136 -9.566 -15.642 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -5.133 -10.366 -13.796 1.00 0.00 N ATOM 0 H GLN A 78 -2.686 -5.310 -14.389 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.695 -6.748 -11.800 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.260 -7.778 -14.633 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.166 -8.751 -13.178 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.562 -8.223 -12.700 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.642 -7.312 -14.195 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.395 -10.209 -12.823 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.377 -11.244 -14.255 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.179 -7.177 -11.777 1.00 0.00 N ATOM 1220 CA LEU A 79 1.266 -7.115 -11.593 1.00 0.00 C ATOM 1221 C LEU A 79 1.930 -8.408 -12.056 1.00 0.00 C ATOM 1222 O LEU A 79 1.691 -9.476 -11.493 1.00 0.00 O ATOM 1223 CB LEU A 79 1.602 -6.854 -10.124 1.00 0.00 C ATOM 1224 CG LEU A 79 1.094 -5.534 -9.543 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.451 -5.426 -8.069 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.663 -4.355 -10.319 1.00 0.00 C ATOM 0 H LEU A 79 -0.662 -7.789 -11.120 1.00 0.00 H new ATOM 0 HA LEU A 79 1.650 -6.294 -12.199 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.194 -7.671 -9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.685 -6.885 -10.009 1.00 0.00 H new ATOM 0 HG LEU A 79 0.008 -5.514 -9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.081 -4.480 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.994 -6.251 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.534 -5.469 -7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.291 -3.424 -9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.751 -4.372 -10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.355 -4.424 -11.362 1.00 0.00 H new ATOM 1238 N TRP A 80 2.765 -8.302 -13.084 1.00 0.00 N ATOM 1239 CA TRP A 80 3.466 -9.463 -13.621 1.00 0.00 C ATOM 1240 C TRP A 80 2.478 -10.518 -14.108 1.00 0.00 C ATOM 1241 O TRP A 80 2.773 -11.712 -14.094 1.00 0.00 O ATOM 1242 CB TRP A 80 4.390 -10.063 -12.560 1.00 0.00 C ATOM 1243 CG TRP A 80 5.221 -9.039 -11.848 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.339 -8.417 -12.324 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.000 -8.521 -10.532 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.827 -7.542 -11.383 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.023 -7.587 -10.275 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.037 -8.754 -9.546 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.108 -6.889 -9.073 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.124 -8.060 -8.354 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.153 -7.137 -8.126 1.00 0.00 C ATOM 0 H TRP A 80 2.973 -7.425 -13.562 1.00 0.00 H new ATOM 0 HA TRP A 80 4.065 -9.134 -14.470 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.789 -10.604 -11.829 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.050 -10.791 -13.033 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.776 -8.587 -13.297 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.654 -6.955 -11.492 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.240 -9.463 -9.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.900 -6.177 -8.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.386 -8.232 -7.585 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.193 -6.611 -7.184 1.00 0.00 H new ATOM 1262 N GLY A 81 1.303 -10.068 -14.539 1.00 0.00 N ATOM 1263 CA GLY A 81 0.290 -10.987 -15.025 1.00 0.00 C ATOM 1264 C GLY A 81 -0.528 -11.594 -13.902 1.00 0.00 C ATOM 1265 O GLY A 81 -1.413 -12.415 -14.143 1.00 0.00 O ATOM 0 H GLY A 81 1.035 -9.084 -14.560 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.374 -10.461 -15.711 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.769 -11.784 -15.593 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.231 -11.190 -12.671 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.945 -11.701 -11.506 1.00 0.00 C ATOM 1271 C HIS A 82 -1.954 -10.677 -10.995 1.00 0.00 C ATOM 1272 O HIS A 82 -1.642 -9.493 -10.873 1.00 0.00 O ATOM 1273 CB HIS A 82 0.041 -12.061 -10.394 1.00 0.00 C ATOM 1274 CG HIS A 82 0.900 -13.245 -10.716 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.180 -14.242 -9.805 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.541 -13.590 -11.857 1.00 0.00 C ATOM 1277 CE1 HIS A 82 1.957 -15.147 -10.371 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.191 -14.776 -11.617 1.00 0.00 N ATOM 0 H HIS A 82 0.499 -10.511 -12.454 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.485 -12.599 -11.807 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.681 -11.201 -10.195 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.515 -12.264 -9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.541 -13.036 -12.784 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.337 -16.039 -9.896 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.761 -15.287 -12.291 1.00 0.00 H new ATOM 1286 N GLN A 83 -3.164 -11.142 -10.699 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.218 -10.266 -10.203 1.00 0.00 C ATOM 1288 C GLN A 83 -3.851 -9.691 -8.839 1.00 0.00 C ATOM 1289 O GLN A 83 -3.266 -10.379 -8.002 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.541 -11.027 -10.110 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.698 -10.178 -9.607 1.00 0.00 C ATOM 1292 CD GLN A 83 -8.045 -10.836 -9.831 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -8.639 -10.713 -10.903 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -8.536 -11.540 -8.817 1.00 0.00 N ATOM 0 H GLN A 83 -3.438 -12.120 -10.794 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.331 -9.441 -10.906 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.793 -11.423 -11.094 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.413 -11.882 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.565 -9.984 -8.543 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.681 -9.212 -10.112 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.010 -11.615 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.439 -12.005 -8.909 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.199 -8.427 -8.622 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.906 -7.760 -7.359 1.00 0.00 C ATOM 1305 C ILE A 84 -5.124 -7.001 -6.844 1.00 0.00 C ATOM 1306 O ILE A 84 -5.988 -6.593 -7.619 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.726 -6.781 -7.500 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.873 -5.950 -8.776 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.407 -7.539 -7.503 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.792 -4.759 -8.619 1.00 0.00 C ATOM 0 H ILE A 84 -4.684 -7.844 -9.304 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.637 -8.539 -6.645 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.731 -6.103 -6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.889 -5.601 -9.088 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.252 -6.588 -9.574 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.582 -6.834 -7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.302 -8.090 -6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.391 -8.238 -8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.849 -4.216 -9.563 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.788 -5.102 -8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.403 -4.099 -7.844 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.185 -6.813 -5.530 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.294 -6.099 -4.910 1.00 0.00 C ATOM 1324 C ALA A 85 -5.791 -5.064 -3.910 1.00 0.00 C ATOM 1325 O ALA A 85 -4.788 -5.280 -3.229 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.238 -7.079 -4.229 1.00 0.00 C ATOM 0 H ALA A 85 -4.479 -7.146 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.838 -5.573 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.062 -6.532 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.633 -7.777 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.697 -7.631 -3.461 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.493 -3.938 -3.826 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.118 -2.869 -2.909 1.00 0.00 C ATOM 1334 C VAL A 86 -7.147 -2.714 -1.795 1.00 0.00 C ATOM 1335 O VAL A 86 -8.344 -2.586 -2.055 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.967 -1.525 -3.645 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.776 -1.564 -4.590 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.245 -1.184 -4.397 1.00 0.00 C ATOM 0 H VAL A 86 -7.325 -3.743 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.157 -3.147 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.788 -0.744 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.685 -0.605 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.867 -1.759 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.921 -2.355 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.121 -0.231 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.457 -1.965 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.073 -1.111 -3.692 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.674 -2.726 -0.554 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.553 -2.585 0.601 1.00 0.00 C ATOM 1350 C ASP A 87 -7.025 -1.522 1.559 1.00 0.00 C ATOM 1351 O ASP A 87 -5.828 -1.237 1.587 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.692 -3.922 1.330 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.806 -3.909 2.357 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -9.987 -3.871 1.951 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -8.498 -3.935 3.568 1.00 0.00 O ATOM 0 H ASP A 87 -5.686 -2.832 -0.322 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.534 -2.272 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.882 -4.711 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.750 -4.163 1.823 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.926 -0.938 2.341 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.550 0.095 3.300 1.00 0.00 C ATOM 1362 C TRP A 88 -6.802 -0.508 4.484 1.00 0.00 C ATOM 1363 O TRP A 88 -7.395 -1.176 5.330 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.793 0.839 3.792 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.137 2.036 2.959 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.355 2.337 2.419 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.251 3.091 2.568 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.280 3.516 1.717 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.000 3.999 1.794 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -6.899 3.359 2.799 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.440 5.152 1.250 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.345 4.504 2.258 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.114 5.389 1.492 1.00 0.00 C ATOM 0 H TRP A 88 -8.921 -1.162 2.330 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.888 0.800 2.797 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.640 0.153 3.797 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.634 1.156 4.823 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.246 1.737 2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.052 3.960 1.219 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.298 2.684 3.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.031 5.835 0.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.301 4.720 2.429 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.652 6.276 1.084 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.496 -0.266 4.538 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.668 -0.783 5.621 1.00 0.00 C ATOM 1386 C ALA A 89 -5.266 -0.441 6.981 1.00 0.00 C ATOM 1387 O ALA A 89 -5.766 -1.317 7.687 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.253 -0.235 5.510 1.00 0.00 C ATOM 0 H ALA A 89 -4.989 0.284 3.845 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.633 -1.869 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.645 -0.629 6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.820 -0.536 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.278 0.853 5.570 1.00 0.00 H new ATOM 1394 N GLU A 90 -5.209 0.837 7.343 1.00 0.00 N ATOM 1395 CA GLU A 90 -5.744 1.293 8.620 1.00 0.00 C ATOM 1396 C GLU A 90 -7.178 0.809 8.814 1.00 0.00 C ATOM 1397 O GLU A 90 -8.073 1.105 8.021 1.00 0.00 O ATOM 1398 CB GLU A 90 -5.695 2.820 8.703 1.00 0.00 C ATOM 1399 CG GLU A 90 -6.091 3.513 7.411 1.00 0.00 C ATOM 1400 CD GLU A 90 -4.911 3.745 6.487 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -4.109 4.661 6.766 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -4.788 3.009 5.485 1.00 0.00 O ATOM 0 H GLU A 90 -4.798 1.574 6.770 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.126 0.873 9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.357 3.153 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.686 3.128 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.839 2.911 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.558 4.470 7.645 1.00 0.00 H new ATOM 1409 N PRO A 91 -7.404 0.044 9.892 1.00 0.00 N ATOM 1410 CA PRO A 91 -8.727 -0.498 10.216 1.00 0.00 C ATOM 1411 C PRO A 91 -9.705 0.585 10.657 1.00 0.00 C ATOM 1412 O PRO A 91 -10.830 0.656 10.164 1.00 0.00 O ATOM 1413 CB PRO A 91 -8.442 -1.464 11.369 1.00 0.00 C ATOM 1414 CG PRO A 91 -7.195 -0.946 11.998 1.00 0.00 C ATOM 1415 CD PRO A 91 -6.385 -0.349 10.880 1.00 0.00 C ATOM 0 HA PRO A 91 -9.197 -0.970 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.266 -1.484 12.082 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.309 -2.484 11.007 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -7.423 -0.198 12.758 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.646 -1.747 12.493 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.803 0.508 11.219 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.680 -1.070 10.465 1.00 0.00 H new ATOM 1423 N GLU A 92 -9.268 1.427 11.589 1.00 0.00 N ATOM 1424 CA GLU A 92 -10.107 2.507 12.096 1.00 0.00 C ATOM 1425 C GLU A 92 -9.254 3.643 12.654 1.00 0.00 C ATOM 1426 O GLU A 92 -8.662 3.519 13.726 1.00 0.00 O ATOM 1427 CB GLU A 92 -11.050 1.983 13.181 1.00 0.00 C ATOM 1428 CG GLU A 92 -12.174 1.114 12.643 1.00 0.00 C ATOM 1429 CD GLU A 92 -13.223 0.800 13.692 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -13.071 -0.222 14.394 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -14.194 1.576 13.812 1.00 0.00 O ATOM 0 H GLU A 92 -8.339 1.382 12.008 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.698 2.894 11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.473 1.408 13.905 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.481 2.829 13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.647 1.619 11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.757 0.182 12.262 1.00 0.00 H new ATOM 1438 N ILE A 93 -9.196 4.747 11.917 1.00 0.00 N ATOM 1439 CA ILE A 93 -8.416 5.905 12.338 1.00 0.00 C ATOM 1440 C ILE A 93 -9.247 6.840 13.209 1.00 0.00 C ATOM 1441 O ILE A 93 -10.402 6.552 13.521 1.00 0.00 O ATOM 1442 CB ILE A 93 -7.878 6.691 11.127 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -7.685 5.758 9.930 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -6.571 7.382 11.483 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -8.917 5.625 9.063 1.00 0.00 C ATOM 0 H ILE A 93 -9.679 4.864 11.026 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.574 5.526 12.918 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.607 7.454 10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.860 6.128 9.321 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.397 4.771 10.292 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.203 7.933 10.617 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.738 8.073 12.309 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.833 6.636 11.778 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.707 4.949 8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.739 5.226 9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.194 6.604 8.672 1.00 0.00 H new ATOM 1457 N ASP A 94 -8.652 7.963 13.597 1.00 0.00 N ATOM 1458 CA ASP A 94 -9.338 8.943 14.430 1.00 0.00 C ATOM 1459 C ASP A 94 -10.009 10.011 13.571 1.00 0.00 C ATOM 1460 O ASP A 94 -10.137 11.164 13.984 1.00 0.00 O ATOM 1461 CB ASP A 94 -8.354 9.597 15.401 1.00 0.00 C ATOM 1462 CG ASP A 94 -9.040 10.152 16.634 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -10.158 9.694 16.947 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -8.458 11.046 17.285 1.00 0.00 O ATOM 0 H ASP A 94 -7.696 8.217 13.348 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.108 8.423 15.000 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.606 8.865 15.704 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.824 10.401 14.890 1.00 0.00 H new ATOM 1469 N VAL A 95 -10.436 9.619 12.375 1.00 0.00 N ATOM 1470 CA VAL A 95 -11.094 10.542 11.458 1.00 0.00 C ATOM 1471 C VAL A 95 -12.418 11.034 12.030 1.00 0.00 C ATOM 1472 O VAL A 95 -12.743 12.219 11.941 1.00 0.00 O ATOM 1473 CB VAL A 95 -11.351 9.885 10.089 1.00 0.00 C ATOM 1474 CG1 VAL A 95 -10.050 9.375 9.488 1.00 0.00 C ATOM 1475 CG2 VAL A 95 -12.365 8.759 10.221 1.00 0.00 C ATOM 0 H VAL A 95 -10.338 8.668 12.018 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.422 11.390 11.325 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.763 10.637 9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.252 8.914 8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.359 10.208 9.356 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.605 8.637 10.156 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -12.535 8.306 9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -11.984 8.005 10.910 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.304 9.158 10.604 1.00 0.00 H new ATOM 1485 N ASP A 96 -13.179 10.118 12.618 1.00 0.00 N ATOM 1486 CA ASP A 96 -14.469 10.459 13.208 1.00 0.00 C ATOM 1487 C ASP A 96 -14.389 11.782 13.963 1.00 0.00 C ATOM 1488 O ASP A 96 -15.261 12.639 13.825 1.00 0.00 O ATOM 1489 CB ASP A 96 -14.933 9.347 14.150 1.00 0.00 C ATOM 1490 CG ASP A 96 -14.692 7.964 13.576 1.00 0.00 C ATOM 1491 OD1 ASP A 96 -15.245 7.665 12.496 1.00 0.00 O ATOM 1492 OD2 ASP A 96 -13.951 7.182 14.206 1.00 0.00 O ATOM 0 H ASP A 96 -12.925 9.133 12.699 1.00 0.00 H new ATOM 0 HA ASP A 96 -15.193 10.566 12.400 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -14.409 9.439 15.101 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -15.996 9.471 14.358 1.00 0.00 H new ATOM 1497 N GLU A 97 -13.338 11.938 14.762 1.00 0.00 N ATOM 1498 CA GLU A 97 -13.147 13.156 15.541 1.00 0.00 C ATOM 1499 C GLU A 97 -12.433 14.223 14.715 1.00 0.00 C ATOM 1500 O GLU A 97 -13.006 15.266 14.399 1.00 0.00 O ATOM 1501 CB GLU A 97 -12.346 12.857 16.809 1.00 0.00 C ATOM 1502 CG GLU A 97 -12.519 13.901 17.899 1.00 0.00 C ATOM 1503 CD GLU A 97 -11.954 13.451 19.233 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -10.739 13.637 19.456 1.00 0.00 O ATOM 1505 OE2 GLU A 97 -12.726 12.912 20.053 1.00 0.00 O ATOM 0 H GLU A 97 -12.607 11.238 14.887 1.00 0.00 H new ATOM 0 HA GLU A 97 -14.130 13.535 15.822 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.648 11.884 17.198 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.289 12.784 16.552 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.028 14.825 17.593 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -13.579 14.127 18.015 1.00 0.00 H new ATOM 1512 N ASP A 98 -11.178 13.954 14.370 1.00 0.00 N ATOM 1513 CA ASP A 98 -10.385 14.890 13.581 1.00 0.00 C ATOM 1514 C ASP A 98 -10.052 14.301 12.214 1.00 0.00 C ATOM 1515 O ASP A 98 -9.219 13.401 12.101 1.00 0.00 O ATOM 1516 CB ASP A 98 -9.097 15.251 14.323 1.00 0.00 C ATOM 1517 CG ASP A 98 -9.305 16.358 15.338 1.00 0.00 C ATOM 1518 OD1 ASP A 98 -10.400 16.418 15.936 1.00 0.00 O ATOM 1519 OD2 ASP A 98 -8.372 17.164 15.536 1.00 0.00 O ATOM 0 H ASP A 98 -10.688 13.096 14.624 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.975 15.794 13.433 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.712 14.366 14.829 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.340 15.560 13.602 1.00 0.00 H new ATOM 1524 N VAL A 99 -10.708 14.814 11.178 1.00 0.00 N ATOM 1525 CA VAL A 99 -10.481 14.339 9.819 1.00 0.00 C ATOM 1526 C VAL A 99 -9.999 15.469 8.915 1.00 0.00 C ATOM 1527 O VAL A 99 -9.403 15.227 7.867 1.00 0.00 O ATOM 1528 CB VAL A 99 -11.760 13.726 9.218 1.00 0.00 C ATOM 1529 CG1 VAL A 99 -12.803 14.805 8.968 1.00 0.00 C ATOM 1530 CG2 VAL A 99 -11.439 12.977 7.933 1.00 0.00 C ATOM 0 H VAL A 99 -11.401 15.559 11.254 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.711 13.570 9.877 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.172 13.014 9.934 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.699 14.353 8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.054 15.294 9.910 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.404 15.543 8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.354 12.550 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.003 13.666 7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.730 12.177 8.146 1.00 0.00 H new ATOM 1540 N MET A 100 -10.261 16.704 9.331 1.00 0.00 N ATOM 1541 CA MET A 100 -9.852 17.872 8.559 1.00 0.00 C ATOM 1542 C MET A 100 -8.606 18.513 9.163 1.00 0.00 C ATOM 1543 O MET A 100 -8.145 18.108 10.229 1.00 0.00 O ATOM 1544 CB MET A 100 -10.988 18.894 8.500 1.00 0.00 C ATOM 1545 CG MET A 100 -12.252 18.361 7.845 1.00 0.00 C ATOM 1546 SD MET A 100 -13.351 19.675 7.284 1.00 0.00 S ATOM 1547 CE MET A 100 -14.293 19.988 8.775 1.00 0.00 C ATOM 0 H MET A 100 -10.754 16.922 10.197 1.00 0.00 H new ATOM 0 HA MET A 100 -9.616 17.544 7.547 1.00 0.00 H new ATOM 0 HB2 MET A 100 -11.224 19.222 9.512 1.00 0.00 H new ATOM 0 HB3 MET A 100 -10.647 19.772 7.952 1.00 0.00 H new ATOM 0 HG2 MET A 100 -11.980 17.733 6.996 1.00 0.00 H new ATOM 0 HG3 MET A 100 -12.784 17.726 8.554 1.00 0.00 H new ATOM 0 HE1 MET A 100 -15.018 20.780 8.588 1.00 0.00 H new ATOM 0 HE2 MET A 100 -14.816 19.079 9.072 1.00 0.00 H new ATOM 0 HE3 MET A 100 -13.618 20.296 9.574 1.00 0.00 H new ATOM 1557 N GLU A 101 -8.068 19.514 8.474 1.00 0.00 N ATOM 1558 CA GLU A 101 -6.875 20.210 8.943 1.00 0.00 C ATOM 1559 C GLU A 101 -5.863 19.224 9.521 1.00 0.00 C ATOM 1560 O GLU A 101 -5.347 19.420 10.622 1.00 0.00 O ATOM 1561 CB GLU A 101 -7.248 21.253 9.999 1.00 0.00 C ATOM 1562 CG GLU A 101 -7.639 22.599 9.413 1.00 0.00 C ATOM 1563 CD GLU A 101 -7.828 23.665 10.475 1.00 0.00 C ATOM 1564 OE1 GLU A 101 -8.854 23.620 11.185 1.00 0.00 O ATOM 1565 OE2 GLU A 101 -6.948 24.544 10.595 1.00 0.00 O ATOM 0 H GLU A 101 -8.439 19.861 7.590 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.420 20.714 8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.076 20.872 10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.404 21.392 10.675 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.870 22.923 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.563 22.489 8.845 1.00 0.00 H new ATOM 1572 N THR A 102 -5.584 18.163 8.770 1.00 0.00 N ATOM 1573 CA THR A 102 -4.636 17.146 9.207 1.00 0.00 C ATOM 1574 C THR A 102 -3.286 17.765 9.551 1.00 0.00 C ATOM 1575 O THR A 102 -2.618 18.339 8.692 1.00 0.00 O ATOM 1576 CB THR A 102 -4.433 16.066 8.127 1.00 0.00 C ATOM 1577 OG1 THR A 102 -3.931 16.663 6.927 1.00 0.00 O ATOM 1578 CG2 THR A 102 -5.739 15.344 7.833 1.00 0.00 C ATOM 0 H THR A 102 -6.001 17.986 7.856 1.00 0.00 H new ATOM 0 HA THR A 102 -5.058 16.682 10.099 1.00 0.00 H new ATOM 0 HB THR A 102 -3.711 15.340 8.500 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.326 17.399 7.156 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.571 14.586 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.104 14.867 8.743 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.479 16.061 7.478 1.00 0.00 H new ATOM 1586 N VAL A 103 -2.889 17.643 10.814 1.00 0.00 N ATOM 1587 CA VAL A 103 -1.617 18.188 11.272 1.00 0.00 C ATOM 1588 C VAL A 103 -0.745 17.103 11.894 1.00 0.00 C ATOM 1589 O VAL A 103 -1.241 16.219 12.592 1.00 0.00 O ATOM 1590 CB VAL A 103 -1.827 19.316 12.300 1.00 0.00 C ATOM 1591 CG1 VAL A 103 -0.489 19.829 12.811 1.00 0.00 C ATOM 1592 CG2 VAL A 103 -2.644 20.446 11.692 1.00 0.00 C ATOM 0 H VAL A 103 -3.431 17.171 11.538 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.114 18.595 10.395 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.382 18.913 13.147 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.657 20.625 13.536 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.055 19.014 13.287 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.095 20.216 11.976 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.783 21.234 12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.119 20.850 10.826 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.617 20.065 11.381 1.00 0.00 H new ATOM 1602 N SER A 104 0.557 17.178 11.637 1.00 0.00 N ATOM 1603 CA SER A 104 1.498 16.200 12.170 1.00 0.00 C ATOM 1604 C SER A 104 2.492 16.863 13.119 1.00 0.00 C ATOM 1605 O SER A 104 3.698 16.856 12.876 1.00 0.00 O ATOM 1606 CB SER A 104 2.248 15.509 11.029 1.00 0.00 C ATOM 1607 OG SER A 104 3.116 14.504 11.525 1.00 0.00 O ATOM 0 H SER A 104 0.984 17.905 11.063 1.00 0.00 H new ATOM 0 HA SER A 104 0.932 15.454 12.728 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.533 15.067 10.335 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.823 16.246 10.468 1.00 0.00 H new ATOM 0 HG SER A 104 3.792 14.913 12.104 1.00 0.00 H new ATOM 1613 N GLY A 105 1.975 17.436 14.202 1.00 0.00 N ATOM 1614 CA GLY A 105 2.829 18.096 15.171 1.00 0.00 C ATOM 1615 C GLY A 105 2.044 18.939 16.156 1.00 0.00 C ATOM 1616 O GLY A 105 1.861 20.142 15.969 1.00 0.00 O ATOM 0 H GLY A 105 0.980 17.455 14.425 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.403 17.346 15.716 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.547 18.728 14.648 1.00 0.00 H new ATOM 1620 N PRO A 106 1.563 18.303 17.235 1.00 0.00 N ATOM 1621 CA PRO A 106 0.785 18.983 18.274 1.00 0.00 C ATOM 1622 C PRO A 106 1.634 19.944 19.098 1.00 0.00 C ATOM 1623 O PRO A 106 1.148 20.560 20.047 1.00 0.00 O ATOM 1624 CB PRO A 106 0.278 17.833 19.147 1.00 0.00 C ATOM 1625 CG PRO A 106 1.267 16.738 18.943 1.00 0.00 C ATOM 1626 CD PRO A 106 1.743 16.870 17.523 1.00 0.00 C ATOM 0 HA PRO A 106 -0.010 19.598 17.852 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.223 18.126 20.195 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.724 17.522 18.850 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.098 16.827 19.643 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.810 15.763 19.113 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.785 16.567 17.419 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.160 16.247 16.844 1.00 0.00 H new ATOM 1634 N SER A 107 2.905 20.068 18.731 1.00 0.00 N ATOM 1635 CA SER A 107 3.824 20.952 19.439 1.00 0.00 C ATOM 1636 C SER A 107 3.105 22.209 19.920 1.00 0.00 C ATOM 1637 O SER A 107 3.124 22.532 21.108 1.00 0.00 O ATOM 1638 CB SER A 107 4.996 21.336 18.534 1.00 0.00 C ATOM 1639 OG SER A 107 5.945 22.122 19.234 1.00 0.00 O ATOM 0 H SER A 107 3.323 19.567 17.947 1.00 0.00 H new ATOM 0 HA SER A 107 4.206 20.417 20.308 1.00 0.00 H new ATOM 0 HB2 SER A 107 5.476 20.434 18.153 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.627 21.890 17.671 1.00 0.00 H new ATOM 0 HG SER A 107 6.685 22.353 18.634 1.00 0.00 H new ATOM 1645 N SER A 108 2.471 22.914 18.988 1.00 0.00 N ATOM 1646 CA SER A 108 1.749 24.138 19.315 1.00 0.00 C ATOM 1647 C SER A 108 0.283 24.029 18.906 1.00 0.00 C ATOM 1648 O SER A 108 -0.039 23.957 17.721 1.00 0.00 O ATOM 1649 CB SER A 108 2.396 25.338 18.621 1.00 0.00 C ATOM 1650 OG SER A 108 2.217 25.272 17.216 1.00 0.00 O ATOM 0 H SER A 108 2.443 22.659 18.001 1.00 0.00 H new ATOM 0 HA SER A 108 1.798 24.282 20.394 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.961 26.261 19.003 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.460 25.367 18.854 1.00 0.00 H new ATOM 0 HG SER A 108 1.377 24.809 17.015 1.00 0.00 H new ATOM 1656 N GLY A 109 -0.602 24.018 19.899 1.00 0.00 N ATOM 1657 CA GLY A 109 -2.024 23.918 19.623 1.00 0.00 C ATOM 1658 C GLY A 109 -2.552 25.114 18.857 1.00 0.00 C ATOM 1659 O GLY A 109 -2.944 26.118 19.453 1.00 0.00 O ATOM 0 H GLY A 109 -0.360 24.076 20.888 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.217 23.010 19.051 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.568 23.824 20.563 1.00 0.00 H new TER 1663 GLY A 109