USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 32 CYS SG : rot -127:sc= -1.58! USER MOD Set 1.2: A 35 CYS SG : rot 104:sc= 0.502! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= -0.0376 (180deg=-0.464) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0842 K(o=-0.084,f=-2.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00545 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -133:sc= -0.61 (180deg=-3.13!) USER MOD Single : A 37 MET CE :methyl 166:sc=-0.00379 (180deg=-0.276) USER MOD Single : A 39 LYS NZ :NH3+ -131:sc= -0.0743 (180deg=-1.78!) USER MOD Single : A 43 HIS : no HE2:sc= 0.202 K(o=0.2,f=-5!) USER MOD Single : A 44 SER OG : rot -133:sc= 0.551 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 51 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.055) USER MOD Single : A 62 CYS SG : rot -75:sc= 0.132 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -41:sc= 0.346 USER MOD Single : A 69 CYS SG : rot 150:sc= 0.756 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.299 USER MOD Single : A 74 THR OG1 : rot -94:sc= 0.114 USER MOD Single : A 76 THR OG1 : rot 85:sc= -0.528! USER MOD Single : A 78 GLN : amide:sc= -9.88! C(o=-9.9!,f=-17!) USER MOD Single : A 81 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.119) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -6.9! K(o=-6.9!,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= -1.82! (180deg=-2.52) USER MOD Single : A 96 LYS NZ :NH3+ 152:sc= 0.191 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 73:sc= 0.0711 USER MOD Single : A 102 ASN : amide:sc= -0.0931 K(o=-0.093,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.542 -0.551 8.874 1.00 0.33 N ATOM 21 CA VAL A 2 -3.187 -0.415 8.263 1.00 0.20 C ATOM 22 C VAL A 2 -2.202 -1.371 8.950 1.00 0.19 C ATOM 23 O VAL A 2 -2.241 -1.544 10.152 1.00 0.27 O ATOM 24 CB VAL A 2 -2.704 1.025 8.429 1.00 0.28 C ATOM 25 CG1 VAL A 2 -1.371 1.194 7.699 1.00 0.30 C ATOM 26 CG2 VAL A 2 -3.736 1.976 7.814 1.00 0.28 C ATOM 0 HA VAL A 2 -3.242 -0.666 7.204 1.00 0.20 H new ATOM 0 HB VAL A 2 -2.578 1.252 9.488 1.00 0.28 H new ATOM 0 HG11 VAL A 2 -1.021 2.220 7.814 1.00 0.30 H new ATOM 0 HG12 VAL A 2 -0.635 0.510 8.122 1.00 0.30 H new ATOM 0 HG13 VAL A 2 -1.505 0.973 6.640 1.00 0.30 H new ATOM 0 HG21 VAL A 2 -3.397 3.005 7.930 1.00 0.28 H new ATOM 0 HG22 VAL A 2 -3.853 1.749 6.754 1.00 0.28 H new ATOM 0 HG23 VAL A 2 -4.693 1.851 8.320 1.00 0.28 H new ATOM 36 N LYS A 3 -1.340 -1.971 8.168 1.00 0.17 N ATOM 37 CA LYS A 3 -0.343 -2.923 8.756 1.00 0.22 C ATOM 38 C LYS A 3 1.034 -2.708 8.120 1.00 0.16 C ATOM 39 O LYS A 3 1.137 -2.234 7.007 1.00 0.19 O ATOM 40 CB LYS A 3 -0.807 -4.358 8.494 1.00 0.35 C ATOM 41 CG LYS A 3 0.284 -5.333 8.948 1.00 0.47 C ATOM 42 CD LYS A 3 -0.293 -6.749 8.992 1.00 0.50 C ATOM 43 CE LYS A 3 0.840 -7.758 8.786 1.00 1.42 C ATOM 44 NZ LYS A 3 0.347 -9.147 8.996 1.00 1.77 N ATOM 0 H LYS A 3 -1.282 -1.846 7.157 1.00 0.17 H new ATOM 0 HA LYS A 3 -0.267 -2.746 9.829 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.735 -4.556 9.031 1.00 0.35 H new ATOM 0 HB3 LYS A 3 -1.017 -4.497 7.433 1.00 0.35 H new ATOM 0 HG2 LYS A 3 1.131 -5.294 8.263 1.00 0.47 H new ATOM 0 HG3 LYS A 3 0.656 -5.048 9.932 1.00 0.47 H new ATOM 0 HD2 LYS A 3 -0.784 -6.925 9.949 1.00 0.50 H new ATOM 0 HD3 LYS A 3 -1.050 -6.871 8.218 1.00 0.50 H new ATOM 0 HE2 LYS A 3 1.245 -7.658 7.779 1.00 1.42 H new ATOM 0 HE3 LYS A 3 1.654 -7.546 9.479 1.00 1.42 H new ATOM 0 HZ1 LYS A 3 1.128 -9.818 8.852 1.00 1.77 H new ATOM 0 HZ2 LYS A 3 -0.018 -9.243 9.965 1.00 1.77 H new ATOM 0 HZ3 LYS A 3 -0.414 -9.352 8.317 1.00 1.77 H new ATOM 58 N GLN A 4 2.064 -3.066 8.848 1.00 0.21 N ATOM 59 CA GLN A 4 3.451 -2.897 8.311 1.00 0.21 C ATOM 60 C GLN A 4 4.051 -4.262 7.955 1.00 0.22 C ATOM 61 O GLN A 4 3.868 -5.230 8.666 1.00 0.24 O ATOM 62 CB GLN A 4 4.317 -2.222 9.374 1.00 0.25 C ATOM 63 CG GLN A 4 5.715 -1.971 8.800 1.00 0.27 C ATOM 64 CD GLN A 4 6.028 -0.474 8.871 1.00 0.75 C ATOM 65 OE1 GLN A 4 6.202 0.183 7.864 1.00 2.07 O ATOM 66 NE2 GLN A 4 6.110 0.102 10.039 1.00 0.46 N ATOM 0 H GLN A 4 2.006 -3.465 9.785 1.00 0.21 H new ATOM 0 HA GLN A 4 3.417 -2.282 7.411 1.00 0.21 H new ATOM 0 HB2 GLN A 4 3.864 -1.281 9.685 1.00 0.25 H new ATOM 0 HB3 GLN A 4 4.383 -2.852 10.261 1.00 0.25 H new ATOM 0 HG2 GLN A 4 6.458 -2.537 9.361 1.00 0.27 H new ATOM 0 HG3 GLN A 4 5.764 -2.316 7.767 1.00 0.27 H new ATOM 0 HE21 GLN A 4 5.965 -0.444 10.888 1.00 0.46 H new ATOM 0 HE22 GLN A 4 6.319 1.098 10.103 1.00 0.46 H new ATOM 75 N ILE A 5 4.757 -4.308 6.857 1.00 0.22 N ATOM 76 CA ILE A 5 5.378 -5.600 6.436 1.00 0.24 C ATOM 77 C ILE A 5 6.789 -5.719 7.032 1.00 0.36 C ATOM 78 O ILE A 5 7.207 -4.884 7.811 1.00 0.56 O ATOM 79 CB ILE A 5 5.460 -5.630 4.900 1.00 0.16 C ATOM 80 CG1 ILE A 5 4.086 -5.244 4.310 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.870 -7.038 4.414 1.00 0.18 C ATOM 82 CD1 ILE A 5 2.989 -6.140 4.900 1.00 0.11 C ATOM 0 H ILE A 5 4.930 -3.516 6.238 1.00 0.22 H new ATOM 0 HA ILE A 5 4.774 -6.434 6.793 1.00 0.24 H new ATOM 0 HB ILE A 5 6.213 -4.917 4.565 1.00 0.16 H new ATOM 0 HG12 ILE A 5 3.869 -4.198 4.528 1.00 0.12 H new ATOM 0 HG13 ILE A 5 4.106 -5.346 3.225 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.924 -7.046 3.325 1.00 0.18 H new ATOM 0 HG22 ILE A 5 6.845 -7.296 4.828 1.00 0.18 H new ATOM 0 HG23 ILE A 5 5.131 -7.767 4.745 1.00 0.18 H new ATOM 0 HD11 ILE A 5 2.024 -5.860 4.478 1.00 0.11 H new ATOM 0 HD12 ILE A 5 3.202 -7.182 4.660 1.00 0.11 H new ATOM 0 HD13 ILE A 5 2.961 -6.016 5.983 1.00 0.11 H new ATOM 94 N GLU A 6 7.490 -6.758 6.657 1.00 0.32 N ATOM 95 CA GLU A 6 8.874 -6.946 7.192 1.00 0.41 C ATOM 96 C GLU A 6 9.797 -7.481 6.092 1.00 0.22 C ATOM 97 O GLU A 6 10.848 -6.928 5.836 1.00 0.30 O ATOM 98 CB GLU A 6 8.831 -7.940 8.351 1.00 0.76 C ATOM 99 CG GLU A 6 7.852 -7.433 9.413 1.00 1.13 C ATOM 100 CD GLU A 6 7.931 -8.338 10.644 1.00 1.13 C ATOM 101 OE1 GLU A 6 8.968 -8.289 11.286 1.00 0.81 O ATOM 102 OE2 GLU A 6 6.950 -9.025 10.875 1.00 2.20 O ATOM 0 H GLU A 6 7.169 -7.478 6.010 1.00 0.32 H new ATOM 0 HA GLU A 6 9.259 -5.987 7.539 1.00 0.41 H new ATOM 0 HB2 GLU A 6 8.521 -8.922 7.993 1.00 0.76 H new ATOM 0 HB3 GLU A 6 9.825 -8.057 8.782 1.00 0.76 H new ATOM 0 HG2 GLU A 6 8.093 -6.406 9.686 1.00 1.13 H new ATOM 0 HG3 GLU A 6 6.837 -7.427 9.016 1.00 1.13 H new ATOM 109 N SER A 7 9.381 -8.550 5.467 1.00 0.32 N ATOM 110 CA SER A 7 10.220 -9.139 4.381 1.00 0.35 C ATOM 111 C SER A 7 9.326 -9.676 3.259 1.00 0.38 C ATOM 112 O SER A 7 8.148 -9.382 3.206 1.00 0.39 O ATOM 113 CB SER A 7 11.056 -10.281 4.957 1.00 0.60 C ATOM 114 OG SER A 7 10.095 -11.176 5.498 1.00 0.73 O ATOM 0 H SER A 7 8.506 -9.037 5.658 1.00 0.32 H new ATOM 0 HA SER A 7 10.875 -8.369 3.974 1.00 0.35 H new ATOM 0 HB2 SER A 7 11.659 -10.762 4.186 1.00 0.60 H new ATOM 0 HB3 SER A 7 11.744 -9.924 5.723 1.00 0.60 H new ATOM 0 HG SER A 7 10.552 -11.948 5.892 1.00 0.73 H new ATOM 120 N LYS A 8 9.904 -10.453 2.385 1.00 0.38 N ATOM 121 CA LYS A 8 9.099 -11.016 1.262 1.00 0.40 C ATOM 122 C LYS A 8 8.211 -12.149 1.771 1.00 0.43 C ATOM 123 O LYS A 8 7.046 -12.235 1.434 1.00 0.47 O ATOM 124 CB LYS A 8 10.044 -11.549 0.185 1.00 0.43 C ATOM 125 CG LYS A 8 9.222 -12.010 -1.023 1.00 0.48 C ATOM 126 CD LYS A 8 9.494 -13.493 -1.281 1.00 0.66 C ATOM 127 CE LYS A 8 8.783 -13.915 -2.569 1.00 0.99 C ATOM 128 NZ LYS A 8 9.399 -13.242 -3.749 1.00 1.65 N ATOM 0 H LYS A 8 10.888 -10.721 2.398 1.00 0.38 H new ATOM 0 HA LYS A 8 8.467 -10.233 0.843 1.00 0.40 H new ATOM 0 HB2 LYS A 8 10.748 -10.773 -0.114 1.00 0.43 H new ATOM 0 HB3 LYS A 8 10.632 -12.379 0.578 1.00 0.43 H new ATOM 0 HG2 LYS A 8 8.160 -11.850 -0.838 1.00 0.48 H new ATOM 0 HG3 LYS A 8 9.484 -11.422 -1.902 1.00 0.48 H new ATOM 0 HD2 LYS A 8 10.566 -13.669 -1.368 1.00 0.66 H new ATOM 0 HD3 LYS A 8 9.140 -14.092 -0.442 1.00 0.66 H new ATOM 0 HE2 LYS A 8 8.843 -14.997 -2.687 1.00 0.99 H new ATOM 0 HE3 LYS A 8 7.725 -13.659 -2.508 1.00 0.99 H new ATOM 0 HZ1 LYS A 8 9.186 -13.786 -4.609 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.012 -12.281 -3.842 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.430 -13.189 -3.619 1.00 1.65 H new ATOM 142 N THR A 9 8.784 -12.991 2.573 1.00 0.42 N ATOM 143 CA THR A 9 8.001 -14.129 3.124 1.00 0.45 C ATOM 144 C THR A 9 6.730 -13.611 3.789 1.00 0.43 C ATOM 145 O THR A 9 5.687 -14.231 3.723 1.00 0.44 O ATOM 146 CB THR A 9 8.854 -14.873 4.155 1.00 0.50 C ATOM 147 OG1 THR A 9 9.915 -15.450 3.400 1.00 0.53 O ATOM 148 CG2 THR A 9 8.100 -16.055 4.759 1.00 0.43 C ATOM 0 H THR A 9 9.758 -12.944 2.873 1.00 0.42 H new ATOM 0 HA THR A 9 7.727 -14.806 2.315 1.00 0.45 H new ATOM 0 HB THR A 9 9.155 -14.191 4.950 1.00 0.50 H new ATOM 0 HG1 THR A 9 10.510 -15.947 3.999 1.00 0.53 H new ATOM 0 HG21 THR A 9 8.736 -16.559 5.486 1.00 0.43 H new ATOM 0 HG22 THR A 9 7.197 -15.696 5.254 1.00 0.43 H new ATOM 0 HG23 THR A 9 7.827 -16.755 3.969 1.00 0.43 H new ATOM 156 N ALA A 10 6.851 -12.483 4.414 1.00 0.39 N ATOM 157 CA ALA A 10 5.676 -11.886 5.093 1.00 0.38 C ATOM 158 C ALA A 10 4.725 -11.278 4.062 1.00 0.34 C ATOM 159 O ALA A 10 3.542 -11.556 4.064 1.00 0.33 O ATOM 160 CB ALA A 10 6.152 -10.795 6.043 1.00 0.37 C ATOM 0 H ALA A 10 7.715 -11.945 4.485 1.00 0.39 H new ATOM 0 HA ALA A 10 5.149 -12.662 5.648 1.00 0.38 H new ATOM 0 HB1 ALA A 10 5.293 -10.351 6.546 1.00 0.37 H new ATOM 0 HB2 ALA A 10 6.824 -11.226 6.785 1.00 0.37 H new ATOM 0 HB3 ALA A 10 6.680 -10.026 5.479 1.00 0.37 H new ATOM 166 N PHE A 11 5.268 -10.454 3.206 1.00 0.31 N ATOM 167 CA PHE A 11 4.421 -9.813 2.159 1.00 0.28 C ATOM 168 C PHE A 11 3.465 -10.846 1.556 1.00 0.24 C ATOM 169 O PHE A 11 2.383 -10.512 1.114 1.00 0.21 O ATOM 170 CB PHE A 11 5.332 -9.257 1.066 1.00 0.27 C ATOM 171 CG PHE A 11 4.489 -8.577 -0.014 1.00 0.26 C ATOM 172 CD1 PHE A 11 3.847 -7.378 0.246 1.00 0.33 C ATOM 173 CD2 PHE A 11 4.360 -9.151 -1.267 1.00 0.20 C ATOM 174 CE1 PHE A 11 3.089 -6.766 -0.733 1.00 0.32 C ATOM 175 CE2 PHE A 11 3.602 -8.537 -2.242 1.00 0.19 C ATOM 176 CZ PHE A 11 2.969 -7.347 -1.975 1.00 0.24 C ATOM 0 H PHE A 11 6.255 -10.198 3.186 1.00 0.31 H new ATOM 0 HA PHE A 11 3.834 -9.008 2.602 1.00 0.28 H new ATOM 0 HB2 PHE A 11 6.036 -8.543 1.494 1.00 0.27 H new ATOM 0 HB3 PHE A 11 5.922 -10.062 0.627 1.00 0.27 H new ATOM 0 HD1 PHE A 11 3.939 -6.919 1.219 1.00 0.33 H new ATOM 0 HD2 PHE A 11 4.856 -10.086 -1.483 1.00 0.20 H new ATOM 0 HE1 PHE A 11 2.590 -5.831 -0.524 1.00 0.32 H new ATOM 0 HE2 PHE A 11 3.506 -8.992 -3.217 1.00 0.19 H new ATOM 0 HZ PHE A 11 2.377 -6.867 -2.740 1.00 0.24 H new ATOM 186 N GLN A 12 3.889 -12.079 1.550 1.00 0.26 N ATOM 187 CA GLN A 12 3.020 -13.153 0.977 1.00 0.24 C ATOM 188 C GLN A 12 1.895 -13.507 1.949 1.00 0.23 C ATOM 189 O GLN A 12 0.776 -13.761 1.549 1.00 0.33 O ATOM 190 CB GLN A 12 3.868 -14.394 0.703 1.00 0.28 C ATOM 191 CG GLN A 12 4.812 -14.111 -0.467 1.00 0.82 C ATOM 192 CD GLN A 12 4.026 -14.166 -1.778 1.00 0.98 C ATOM 193 OE1 GLN A 12 2.950 -14.730 -1.846 1.00 0.91 O ATOM 194 NE2 GLN A 12 4.525 -13.596 -2.840 1.00 2.10 N ATOM 0 H GLN A 12 4.790 -12.391 1.912 1.00 0.26 H new ATOM 0 HA GLN A 12 2.578 -12.793 0.048 1.00 0.24 H new ATOM 0 HB2 GLN A 12 4.441 -14.661 1.591 1.00 0.28 H new ATOM 0 HB3 GLN A 12 3.226 -15.244 0.470 1.00 0.28 H new ATOM 0 HG2 GLN A 12 5.273 -13.131 -0.348 1.00 0.82 H new ATOM 0 HG3 GLN A 12 5.619 -14.843 -0.483 1.00 0.82 H new ATOM 0 HE21 GLN A 12 5.427 -13.122 -2.788 1.00 2.10 H new ATOM 0 HE22 GLN A 12 4.014 -13.624 -3.722 1.00 2.10 H new ATOM 203 N GLU A 13 2.221 -13.518 3.205 1.00 0.30 N ATOM 204 CA GLU A 13 1.192 -13.863 4.231 1.00 0.32 C ATOM 205 C GLU A 13 0.091 -12.797 4.265 1.00 0.31 C ATOM 206 O GLU A 13 -1.079 -13.115 4.352 1.00 0.39 O ATOM 207 CB GLU A 13 1.863 -13.951 5.601 1.00 0.46 C ATOM 208 CG GLU A 13 2.723 -15.215 5.657 1.00 0.27 C ATOM 209 CD GLU A 13 1.999 -16.285 6.478 1.00 0.83 C ATOM 210 OE1 GLU A 13 2.096 -16.195 7.691 1.00 0.81 O ATOM 211 OE2 GLU A 13 1.389 -17.131 5.845 1.00 2.06 O ATOM 0 H GLU A 13 3.149 -13.305 3.571 1.00 0.30 H new ATOM 0 HA GLU A 13 0.740 -14.821 3.975 1.00 0.32 H new ATOM 0 HB2 GLU A 13 2.479 -13.069 5.775 1.00 0.46 H new ATOM 0 HB3 GLU A 13 1.109 -13.974 6.388 1.00 0.46 H new ATOM 0 HG2 GLU A 13 2.915 -15.582 4.649 1.00 0.27 H new ATOM 0 HG3 GLU A 13 3.691 -14.990 6.105 1.00 0.27 H new ATOM 218 N ALA A 14 0.486 -11.556 4.196 1.00 0.29 N ATOM 219 CA ALA A 14 -0.530 -10.465 4.226 1.00 0.33 C ATOM 220 C ALA A 14 -1.577 -10.695 3.133 1.00 0.30 C ATOM 221 O ALA A 14 -2.765 -10.654 3.387 1.00 0.33 O ATOM 222 CB ALA A 14 0.166 -9.125 3.991 1.00 0.44 C ATOM 0 H ALA A 14 1.457 -11.251 4.121 1.00 0.29 H new ATOM 0 HA ALA A 14 -1.025 -10.460 5.197 1.00 0.33 H new ATOM 0 HB1 ALA A 14 -0.572 -8.323 4.012 1.00 0.44 H new ATOM 0 HB2 ALA A 14 0.906 -8.957 4.773 1.00 0.44 H new ATOM 0 HB3 ALA A 14 0.661 -9.137 3.020 1.00 0.44 H new ATOM 228 N LEU A 15 -1.111 -10.935 1.941 1.00 0.32 N ATOM 229 CA LEU A 15 -2.059 -11.174 0.816 1.00 0.33 C ATOM 230 C LEU A 15 -2.784 -12.508 1.015 1.00 0.36 C ATOM 231 O LEU A 15 -3.759 -12.795 0.349 1.00 0.43 O ATOM 232 CB LEU A 15 -1.273 -11.207 -0.492 1.00 0.32 C ATOM 233 CG LEU A 15 -0.439 -9.927 -0.606 1.00 0.29 C ATOM 234 CD1 LEU A 15 0.378 -9.974 -1.894 1.00 0.29 C ATOM 235 CD2 LEU A 15 -1.369 -8.711 -0.643 1.00 0.25 C ATOM 0 H LEU A 15 -0.122 -10.976 1.696 1.00 0.32 H new ATOM 0 HA LEU A 15 -2.799 -10.374 0.786 1.00 0.33 H new ATOM 0 HB2 LEU A 15 -0.624 -12.083 -0.519 1.00 0.32 H new ATOM 0 HB3 LEU A 15 -1.955 -11.289 -1.339 1.00 0.32 H new ATOM 0 HG LEU A 15 0.228 -9.849 0.253 1.00 0.29 H new ATOM 0 HD11 LEU A 15 0.974 -9.065 -1.980 1.00 0.29 H new ATOM 0 HD12 LEU A 15 1.039 -10.841 -1.874 1.00 0.29 H new ATOM 0 HD13 LEU A 15 -0.294 -10.050 -2.749 1.00 0.29 H new ATOM 0 HD21 LEU A 15 -0.775 -7.801 -0.724 1.00 0.25 H new ATOM 0 HD22 LEU A 15 -2.034 -8.788 -1.503 1.00 0.25 H new ATOM 0 HD23 LEU A 15 -1.961 -8.678 0.272 1.00 0.25 H new ATOM 247 N ASP A 16 -2.290 -13.293 1.931 1.00 0.35 N ATOM 248 CA ASP A 16 -2.937 -14.612 2.194 1.00 0.42 C ATOM 249 C ASP A 16 -3.922 -14.486 3.356 1.00 0.41 C ATOM 250 O ASP A 16 -4.859 -15.252 3.467 1.00 0.45 O ATOM 251 CB ASP A 16 -1.861 -15.639 2.543 1.00 0.47 C ATOM 252 CG ASP A 16 -2.379 -17.043 2.223 1.00 0.64 C ATOM 253 OD1 ASP A 16 -2.996 -17.608 3.110 1.00 0.56 O ATOM 254 OD2 ASP A 16 -2.128 -17.471 1.108 1.00 1.44 O ATOM 0 H ASP A 16 -1.474 -13.083 2.505 1.00 0.35 H new ATOM 0 HA ASP A 16 -3.477 -14.934 1.304 1.00 0.42 H new ATOM 0 HB2 ASP A 16 -0.952 -15.437 1.977 1.00 0.47 H new ATOM 0 HB3 ASP A 16 -1.602 -15.567 3.599 1.00 0.47 H new ATOM 259 N ALA A 17 -3.684 -13.517 4.191 1.00 0.36 N ATOM 260 CA ALA A 17 -4.589 -13.304 5.361 1.00 0.35 C ATOM 261 C ALA A 17 -5.496 -12.098 5.102 1.00 0.36 C ATOM 262 O ALA A 17 -6.237 -11.675 5.967 1.00 0.42 O ATOM 263 CB ALA A 17 -3.743 -13.046 6.606 1.00 0.33 C ATOM 0 H ALA A 17 -2.905 -12.862 4.118 1.00 0.36 H new ATOM 0 HA ALA A 17 -5.206 -14.190 5.510 1.00 0.35 H new ATOM 0 HB1 ALA A 17 -4.397 -12.890 7.464 1.00 0.33 H new ATOM 0 HB2 ALA A 17 -3.099 -13.905 6.793 1.00 0.33 H new ATOM 0 HB3 ALA A 17 -3.129 -12.159 6.451 1.00 0.33 H new ATOM 269 N ALA A 18 -5.415 -11.570 3.911 1.00 0.38 N ATOM 270 CA ALA A 18 -6.260 -10.390 3.570 1.00 0.38 C ATOM 271 C ALA A 18 -7.634 -10.848 3.068 1.00 0.18 C ATOM 272 O ALA A 18 -8.598 -10.117 3.137 1.00 0.38 O ATOM 273 CB ALA A 18 -5.564 -9.579 2.479 1.00 0.52 C ATOM 0 H ALA A 18 -4.805 -11.902 3.164 1.00 0.38 H new ATOM 0 HA ALA A 18 -6.398 -9.777 4.461 1.00 0.38 H new ATOM 0 HB1 ALA A 18 -6.175 -8.714 2.223 1.00 0.52 H new ATOM 0 HB2 ALA A 18 -4.592 -9.243 2.840 1.00 0.52 H new ATOM 0 HB3 ALA A 18 -5.427 -10.201 1.594 1.00 0.52 H new ATOM 279 N GLY A 19 -7.695 -12.051 2.572 1.00 0.50 N ATOM 280 CA GLY A 19 -8.998 -12.559 2.063 1.00 0.33 C ATOM 281 C GLY A 19 -9.164 -12.204 0.586 1.00 0.33 C ATOM 282 O GLY A 19 -8.540 -12.798 -0.271 1.00 0.52 O ATOM 0 H GLY A 19 -6.910 -12.698 2.497 1.00 0.50 H new ATOM 0 HA2 GLY A 19 -9.050 -13.640 2.193 1.00 0.33 H new ATOM 0 HA3 GLY A 19 -9.815 -12.129 2.642 1.00 0.33 H new ATOM 286 N ASP A 20 -10.003 -11.242 0.320 1.00 0.27 N ATOM 287 CA ASP A 20 -10.221 -10.836 -1.103 1.00 0.40 C ATOM 288 C ASP A 20 -10.469 -9.325 -1.209 1.00 0.37 C ATOM 289 O ASP A 20 -10.185 -8.725 -2.226 1.00 0.42 O ATOM 290 CB ASP A 20 -11.428 -11.590 -1.657 1.00 0.58 C ATOM 291 CG ASP A 20 -10.945 -12.719 -2.568 1.00 1.14 C ATOM 292 OD1 ASP A 20 -10.747 -12.425 -3.735 1.00 2.38 O ATOM 293 OD2 ASP A 20 -10.804 -13.813 -2.046 1.00 1.38 O ATOM 0 H ASP A 20 -10.542 -10.723 1.013 1.00 0.27 H new ATOM 0 HA ASP A 20 -9.328 -11.079 -1.679 1.00 0.40 H new ATOM 0 HB2 ASP A 20 -12.024 -11.997 -0.840 1.00 0.58 H new ATOM 0 HB3 ASP A 20 -12.072 -10.909 -2.213 1.00 0.58 H new ATOM 298 N LYS A 21 -10.999 -8.743 -0.163 1.00 0.34 N ATOM 299 CA LYS A 21 -11.265 -7.273 -0.201 1.00 0.37 C ATOM 300 C LYS A 21 -10.070 -6.540 -0.817 1.00 0.32 C ATOM 301 O LYS A 21 -8.954 -7.014 -0.756 1.00 0.35 O ATOM 302 CB LYS A 21 -11.495 -6.767 1.222 1.00 0.34 C ATOM 303 CG LYS A 21 -12.746 -7.437 1.795 1.00 0.43 C ATOM 304 CD LYS A 21 -12.359 -8.240 3.039 1.00 0.15 C ATOM 305 CE LYS A 21 -13.624 -8.827 3.668 1.00 0.30 C ATOM 306 NZ LYS A 21 -13.520 -10.311 3.758 1.00 1.57 N ATOM 0 H LYS A 21 -11.256 -9.214 0.704 1.00 0.34 H new ATOM 0 HA LYS A 21 -12.150 -7.083 -0.808 1.00 0.37 H new ATOM 0 HB2 LYS A 21 -10.629 -6.991 1.845 1.00 0.34 H new ATOM 0 HB3 LYS A 21 -11.615 -5.684 1.221 1.00 0.34 H new ATOM 0 HG2 LYS A 21 -13.492 -6.684 2.050 1.00 0.43 H new ATOM 0 HG3 LYS A 21 -13.196 -8.092 1.050 1.00 0.43 H new ATOM 0 HD2 LYS A 21 -11.667 -9.038 2.771 1.00 0.15 H new ATOM 0 HD3 LYS A 21 -11.845 -7.599 3.756 1.00 0.15 H new ATOM 0 HE2 LYS A 21 -13.772 -8.406 4.662 1.00 0.30 H new ATOM 0 HE3 LYS A 21 -14.495 -8.553 3.072 1.00 0.30 H new ATOM 0 HZ1 LYS A 21 -14.386 -10.694 4.187 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 -13.400 -10.709 2.805 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 -12.701 -10.567 4.345 1.00 1.57 H new ATOM 320 N LEU A 22 -10.326 -5.404 -1.399 1.00 0.27 N ATOM 321 CA LEU A 22 -9.211 -4.639 -2.029 1.00 0.22 C ATOM 322 C LEU A 22 -8.003 -4.588 -1.089 1.00 0.17 C ATOM 323 O LEU A 22 -8.146 -4.374 0.099 1.00 0.20 O ATOM 324 CB LEU A 22 -9.686 -3.210 -2.326 1.00 0.26 C ATOM 325 CG LEU A 22 -9.980 -3.036 -3.827 1.00 0.34 C ATOM 326 CD1 LEU A 22 -8.666 -3.146 -4.627 1.00 1.31 C ATOM 327 CD2 LEU A 22 -11.005 -4.100 -4.289 1.00 1.87 C ATOM 0 H LEU A 22 -11.248 -4.973 -1.467 1.00 0.27 H new ATOM 0 HA LEU A 22 -8.917 -5.135 -2.954 1.00 0.22 H new ATOM 0 HB2 LEU A 22 -10.583 -2.992 -1.747 1.00 0.26 H new ATOM 0 HB3 LEU A 22 -8.924 -2.496 -2.014 1.00 0.26 H new ATOM 0 HG LEU A 22 -10.410 -2.051 -4.005 1.00 0.34 H new ATOM 0 HD11 LEU A 22 -8.876 -3.023 -5.690 1.00 1.31 H new ATOM 0 HD12 LEU A 22 -7.975 -2.369 -4.301 1.00 1.31 H new ATOM 0 HD13 LEU A 22 -8.217 -4.125 -4.457 1.00 1.31 H new ATOM 0 HD21 LEU A 22 -11.209 -3.971 -5.352 1.00 1.87 H new ATOM 0 HD22 LEU A 22 -10.598 -5.096 -4.115 1.00 1.87 H new ATOM 0 HD23 LEU A 22 -11.931 -3.982 -3.725 1.00 1.87 H new ATOM 339 N VAL A 23 -6.838 -4.790 -1.653 1.00 0.09 N ATOM 340 CA VAL A 23 -5.591 -4.756 -0.835 1.00 0.07 C ATOM 341 C VAL A 23 -4.643 -3.705 -1.432 1.00 0.07 C ATOM 342 O VAL A 23 -3.910 -3.987 -2.360 1.00 0.10 O ATOM 343 CB VAL A 23 -4.945 -6.150 -0.886 1.00 0.15 C ATOM 344 CG1 VAL A 23 -4.059 -6.361 0.336 1.00 0.18 C ATOM 345 CG2 VAL A 23 -6.042 -7.217 -0.879 1.00 0.24 C ATOM 0 H VAL A 23 -6.699 -4.977 -2.646 1.00 0.09 H new ATOM 0 HA VAL A 23 -5.806 -4.494 0.201 1.00 0.07 H new ATOM 0 HB VAL A 23 -4.345 -6.227 -1.793 1.00 0.15 H new ATOM 0 HG11 VAL A 23 -3.606 -7.351 0.290 1.00 0.18 H new ATOM 0 HG12 VAL A 23 -3.275 -5.604 0.352 1.00 0.18 H new ATOM 0 HG13 VAL A 23 -4.661 -6.279 1.241 1.00 0.18 H new ATOM 0 HG21 VAL A 23 -5.587 -8.207 -0.915 1.00 0.24 H new ATOM 0 HG22 VAL A 23 -6.635 -7.123 0.031 1.00 0.24 H new ATOM 0 HG23 VAL A 23 -6.686 -7.082 -1.748 1.00 0.24 H new ATOM 355 N VAL A 24 -4.677 -2.512 -0.882 1.00 0.07 N ATOM 356 CA VAL A 24 -3.815 -1.420 -1.438 1.00 0.10 C ATOM 357 C VAL A 24 -2.553 -1.207 -0.588 1.00 0.15 C ATOM 358 O VAL A 24 -2.635 -0.887 0.582 1.00 0.40 O ATOM 359 CB VAL A 24 -4.624 -0.128 -1.467 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.759 0.986 -2.046 1.00 0.12 C ATOM 361 CG2 VAL A 24 -5.858 -0.324 -2.351 1.00 0.04 C ATOM 0 H VAL A 24 -5.256 -2.251 -0.084 1.00 0.07 H new ATOM 0 HA VAL A 24 -3.500 -1.705 -2.442 1.00 0.10 H new ATOM 0 HB VAL A 24 -4.938 0.135 -0.457 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -4.330 1.914 -2.071 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.874 1.120 -1.424 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.454 0.721 -3.058 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.439 0.598 -2.374 1.00 0.04 H new ATOM 0 HG22 VAL A 24 -5.544 -0.580 -3.363 1.00 0.04 H new ATOM 0 HG23 VAL A 24 -6.471 -1.129 -1.946 1.00 0.04 H new ATOM 371 N VAL A 25 -1.409 -1.357 -1.215 1.00 0.15 N ATOM 372 CA VAL A 25 -0.124 -1.179 -0.476 1.00 0.14 C ATOM 373 C VAL A 25 0.408 0.239 -0.651 1.00 0.15 C ATOM 374 O VAL A 25 0.094 0.910 -1.613 1.00 0.26 O ATOM 375 CB VAL A 25 0.903 -2.149 -1.047 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.865 -2.603 0.056 1.00 0.72 C ATOM 377 CG2 VAL A 25 0.187 -3.359 -1.623 1.00 0.64 C ATOM 0 H VAL A 25 -1.313 -1.594 -2.202 1.00 0.15 H new ATOM 0 HA VAL A 25 -0.299 -1.367 0.583 1.00 0.14 H new ATOM 0 HB VAL A 25 1.471 -1.649 -1.832 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.596 -3.296 -0.361 1.00 0.72 H new ATOM 0 HG12 VAL A 25 2.381 -1.736 0.468 1.00 0.72 H new ATOM 0 HG13 VAL A 25 1.303 -3.100 0.847 1.00 0.72 H new ATOM 0 HG21 VAL A 25 0.920 -4.055 -2.032 1.00 0.64 H new ATOM 0 HG22 VAL A 25 -0.383 -3.853 -0.836 1.00 0.64 H new ATOM 0 HG23 VAL A 25 -0.490 -3.038 -2.414 1.00 0.64 H new ATOM 387 N ASP A 26 1.212 0.657 0.292 1.00 0.17 N ATOM 388 CA ASP A 26 1.820 2.017 0.208 1.00 0.17 C ATOM 389 C ASP A 26 3.342 1.890 0.274 1.00 0.16 C ATOM 390 O ASP A 26 3.935 1.987 1.332 1.00 0.14 O ATOM 391 CB ASP A 26 1.325 2.867 1.372 1.00 0.19 C ATOM 392 CG ASP A 26 1.866 4.291 1.222 1.00 0.10 C ATOM 393 OD1 ASP A 26 2.096 4.666 0.085 1.00 1.00 O ATOM 394 OD2 ASP A 26 2.015 4.924 2.255 1.00 1.01 O ATOM 0 H ASP A 26 1.473 0.115 1.116 1.00 0.17 H new ATOM 0 HA ASP A 26 1.534 2.492 -0.730 1.00 0.17 H new ATOM 0 HB2 ASP A 26 0.235 2.879 1.391 1.00 0.19 H new ATOM 0 HB3 ASP A 26 1.655 2.437 2.318 1.00 0.19 H new ATOM 399 N PHE A 27 3.937 1.659 -0.861 1.00 0.20 N ATOM 400 CA PHE A 27 5.418 1.516 -0.898 1.00 0.19 C ATOM 401 C PHE A 27 6.084 2.881 -0.752 1.00 0.19 C ATOM 402 O PHE A 27 6.258 3.601 -1.714 1.00 0.23 O ATOM 403 CB PHE A 27 5.814 0.877 -2.222 1.00 0.22 C ATOM 404 CG PHE A 27 5.486 -0.618 -2.170 1.00 0.25 C ATOM 405 CD1 PHE A 27 6.362 -1.507 -1.569 1.00 0.25 C ATOM 406 CD2 PHE A 27 4.309 -1.105 -2.720 1.00 0.28 C ATOM 407 CE1 PHE A 27 6.070 -2.853 -1.523 1.00 0.29 C ATOM 408 CE2 PHE A 27 4.022 -2.457 -2.668 1.00 0.31 C ATOM 409 CZ PHE A 27 4.904 -3.327 -2.071 1.00 0.32 C ATOM 0 H PHE A 27 3.465 1.563 -1.760 1.00 0.20 H new ATOM 0 HA PHE A 27 5.747 0.886 -0.072 1.00 0.19 H new ATOM 0 HB2 PHE A 27 5.279 1.352 -3.044 1.00 0.22 H new ATOM 0 HB3 PHE A 27 6.878 1.023 -2.408 1.00 0.22 H new ATOM 0 HD1 PHE A 27 7.281 -1.143 -1.133 1.00 0.25 H new ATOM 0 HD2 PHE A 27 3.614 -0.425 -3.191 1.00 0.28 H new ATOM 0 HE1 PHE A 27 6.761 -3.538 -1.054 1.00 0.29 H new ATOM 0 HE2 PHE A 27 3.104 -2.830 -3.097 1.00 0.31 H new ATOM 0 HZ PHE A 27 4.679 -4.383 -2.033 1.00 0.32 H new ATOM 419 N SER A 28 6.442 3.202 0.460 1.00 0.17 N ATOM 420 CA SER A 28 7.096 4.516 0.706 1.00 0.17 C ATOM 421 C SER A 28 8.075 4.398 1.873 1.00 0.20 C ATOM 422 O SER A 28 8.239 3.338 2.443 1.00 0.31 O ATOM 423 CB SER A 28 6.027 5.553 1.041 1.00 0.14 C ATOM 424 OG SER A 28 5.864 5.443 2.447 1.00 0.84 O ATOM 0 H SER A 28 6.311 2.616 1.285 1.00 0.17 H new ATOM 0 HA SER A 28 7.641 4.823 -0.187 1.00 0.17 H new ATOM 0 HB2 SER A 28 6.342 6.556 0.754 1.00 0.14 H new ATOM 0 HB3 SER A 28 5.095 5.348 0.515 1.00 0.14 H new ATOM 0 HG SER A 28 5.187 6.084 2.749 1.00 0.84 H new ATOM 430 N ALA A 29 8.702 5.494 2.204 1.00 0.17 N ATOM 431 CA ALA A 29 9.679 5.467 3.334 1.00 0.23 C ATOM 432 C ALA A 29 9.050 6.062 4.597 1.00 0.17 C ATOM 433 O ALA A 29 8.381 7.075 4.545 1.00 0.15 O ATOM 434 CB ALA A 29 10.907 6.282 2.947 1.00 0.30 C ATOM 0 H ALA A 29 8.583 6.399 1.748 1.00 0.17 H new ATOM 0 HA ALA A 29 9.963 4.434 3.537 1.00 0.23 H new ATOM 0 HB1 ALA A 29 11.626 6.268 3.766 1.00 0.30 H new ATOM 0 HB2 ALA A 29 11.364 5.851 2.056 1.00 0.30 H new ATOM 0 HB3 ALA A 29 10.611 7.311 2.742 1.00 0.30 H new ATOM 440 N THR A 30 9.281 5.417 5.708 1.00 0.26 N ATOM 441 CA THR A 30 8.708 5.930 6.986 1.00 0.32 C ATOM 442 C THR A 30 9.657 6.950 7.619 1.00 0.39 C ATOM 443 O THR A 30 9.228 7.905 8.229 1.00 0.50 O ATOM 444 CB THR A 30 8.500 4.759 7.949 1.00 0.41 C ATOM 445 OG1 THR A 30 7.729 5.299 9.019 1.00 0.47 O ATOM 446 CG2 THR A 30 9.814 4.315 8.583 1.00 0.51 C ATOM 0 H THR A 30 9.836 4.565 5.787 1.00 0.26 H new ATOM 0 HA THR A 30 7.754 6.416 6.782 1.00 0.32 H new ATOM 0 HB THR A 30 8.050 3.919 7.420 1.00 0.41 H new ATOM 0 HG1 THR A 30 7.553 4.599 9.682 1.00 0.47 H new ATOM 0 HG21 THR A 30 9.628 3.482 9.261 1.00 0.51 H new ATOM 0 HG22 THR A 30 10.506 4.000 7.802 1.00 0.51 H new ATOM 0 HG23 THR A 30 10.248 5.145 9.140 1.00 0.51 H new ATOM 454 N TRP A 31 10.927 6.722 7.461 1.00 0.37 N ATOM 455 CA TRP A 31 11.922 7.668 8.041 1.00 0.44 C ATOM 456 C TRP A 31 11.844 9.020 7.321 1.00 0.40 C ATOM 457 O TRP A 31 11.777 10.058 7.950 1.00 0.51 O ATOM 458 CB TRP A 31 13.314 7.078 7.860 1.00 0.49 C ATOM 459 CG TRP A 31 13.526 6.788 6.375 1.00 0.40 C ATOM 460 CD1 TRP A 31 13.125 5.672 5.775 1.00 0.40 C ATOM 461 CD2 TRP A 31 14.091 7.614 5.507 1.00 0.35 C ATOM 462 NE1 TRP A 31 13.472 5.857 4.495 1.00 0.35 N ATOM 463 CE2 TRP A 31 14.084 7.059 4.240 1.00 0.32 C ATOM 464 CE3 TRP A 31 14.637 8.880 5.689 1.00 0.33 C ATOM 465 CZ2 TRP A 31 14.611 7.749 3.175 1.00 0.30 C ATOM 466 CZ3 TRP A 31 15.166 9.567 4.615 1.00 0.26 C ATOM 467 CH2 TRP A 31 15.153 9.001 3.359 1.00 0.26 C ATOM 0 H TRP A 31 11.321 5.927 6.958 1.00 0.37 H new ATOM 0 HA TRP A 31 11.710 7.820 9.099 1.00 0.44 H new ATOM 0 HB2 TRP A 31 14.071 7.774 8.222 1.00 0.49 H new ATOM 0 HB3 TRP A 31 13.417 6.163 8.443 1.00 0.49 H new ATOM 0 HD1 TRP A 31 12.635 4.817 6.216 1.00 0.40 H new ATOM 0 HE1 TRP A 31 13.296 5.162 3.769 1.00 0.35 H new ATOM 0 HE3 TRP A 31 14.647 9.326 6.672 1.00 0.33 H new ATOM 0 HZ2 TRP A 31 14.600 7.307 2.190 1.00 0.30 H new ATOM 0 HZ3 TRP A 31 15.591 10.549 4.759 1.00 0.26 H new ATOM 0 HH2 TRP A 31 15.568 9.539 2.519 1.00 0.26 H new ATOM 478 N CYS A 32 11.852 8.979 6.013 1.00 0.26 N ATOM 479 CA CYS A 32 11.782 10.255 5.242 1.00 0.27 C ATOM 480 C CYS A 32 10.564 11.073 5.687 1.00 0.45 C ATOM 481 O CYS A 32 9.534 10.523 6.028 1.00 0.84 O ATOM 482 CB CYS A 32 11.671 9.942 3.752 1.00 0.13 C ATOM 483 SG CYS A 32 10.865 11.179 2.704 1.00 0.72 S ATOM 0 H CYS A 32 11.903 8.129 5.452 1.00 0.26 H new ATOM 0 HA CYS A 32 12.686 10.835 5.428 1.00 0.27 H new ATOM 0 HB2 CYS A 32 12.677 9.776 3.366 1.00 0.13 H new ATOM 0 HB3 CYS A 32 11.129 9.003 3.644 1.00 0.13 H new ATOM 0 HG CYS A 32 9.914 10.615 2.021 1.00 0.72 H new ATOM 489 N GLY A 33 10.707 12.367 5.671 1.00 0.26 N ATOM 490 CA GLY A 33 9.576 13.240 6.095 1.00 0.38 C ATOM 491 C GLY A 33 8.498 13.339 4.999 1.00 0.39 C ATOM 492 O GLY A 33 7.382 12.895 5.183 1.00 0.41 O ATOM 0 H GLY A 33 11.554 12.858 5.384 1.00 0.26 H new ATOM 0 HA2 GLY A 33 9.132 12.844 7.009 1.00 0.38 H new ATOM 0 HA3 GLY A 33 9.952 14.236 6.329 1.00 0.38 H new ATOM 496 N PRO A 34 8.859 13.926 3.872 1.00 0.43 N ATOM 497 CA PRO A 34 7.920 14.098 2.754 1.00 0.55 C ATOM 498 C PRO A 34 7.211 12.784 2.408 1.00 0.53 C ATOM 499 O PRO A 34 6.087 12.790 1.947 1.00 0.61 O ATOM 500 CB PRO A 34 8.777 14.589 1.584 1.00 0.61 C ATOM 501 CG PRO A 34 10.190 14.922 2.158 1.00 0.50 C ATOM 502 CD PRO A 34 10.217 14.439 3.621 1.00 0.41 C ATOM 0 HA PRO A 34 7.126 14.803 3.001 1.00 0.55 H new ATOM 0 HB2 PRO A 34 8.846 13.825 0.810 1.00 0.61 H new ATOM 0 HB3 PRO A 34 8.331 15.470 1.123 1.00 0.61 H new ATOM 0 HG2 PRO A 34 10.967 14.427 1.576 1.00 0.50 H new ATOM 0 HG3 PRO A 34 10.384 15.993 2.104 1.00 0.50 H new ATOM 0 HD2 PRO A 34 10.967 13.662 3.767 1.00 0.41 H new ATOM 0 HD3 PRO A 34 10.465 15.253 4.302 1.00 0.41 H new ATOM 510 N CYS A 35 7.875 11.687 2.634 1.00 0.44 N ATOM 511 CA CYS A 35 7.228 10.380 2.327 1.00 0.46 C ATOM 512 C CYS A 35 6.172 10.071 3.388 1.00 0.40 C ATOM 513 O CYS A 35 5.161 9.461 3.100 1.00 0.55 O ATOM 514 CB CYS A 35 8.283 9.280 2.319 1.00 0.44 C ATOM 515 SG CYS A 35 9.410 9.214 0.902 1.00 0.75 S ATOM 0 H CYS A 35 8.821 11.636 3.011 1.00 0.44 H new ATOM 0 HA CYS A 35 6.752 10.431 1.348 1.00 0.46 H new ATOM 0 HB2 CYS A 35 8.884 9.383 3.222 1.00 0.44 H new ATOM 0 HB3 CYS A 35 7.770 8.321 2.386 1.00 0.44 H new ATOM 0 HG CYS A 35 10.568 9.693 1.246 1.00 0.75 H new ATOM 521 N LYS A 36 6.429 10.504 4.597 1.00 0.20 N ATOM 522 CA LYS A 36 5.451 10.250 5.685 1.00 0.14 C ATOM 523 C LYS A 36 4.535 11.469 5.870 1.00 0.15 C ATOM 524 O LYS A 36 3.609 11.437 6.641 1.00 0.16 O ATOM 525 CB LYS A 36 6.210 9.960 6.990 1.00 0.11 C ATOM 526 CG LYS A 36 5.234 9.369 8.014 1.00 0.16 C ATOM 527 CD LYS A 36 6.006 8.841 9.224 1.00 0.32 C ATOM 528 CE LYS A 36 6.783 9.993 9.870 1.00 0.75 C ATOM 529 NZ LYS A 36 8.089 10.197 9.183 1.00 2.04 N ATOM 0 H LYS A 36 7.267 11.017 4.871 1.00 0.20 H new ATOM 0 HA LYS A 36 4.835 9.390 5.423 1.00 0.14 H new ATOM 0 HB2 LYS A 36 7.027 9.263 6.803 1.00 0.11 H new ATOM 0 HB3 LYS A 36 6.654 10.876 7.379 1.00 0.11 H new ATOM 0 HG2 LYS A 36 4.521 10.130 8.331 1.00 0.16 H new ATOM 0 HG3 LYS A 36 4.659 8.563 7.558 1.00 0.16 H new ATOM 0 HD2 LYS A 36 5.318 8.401 9.946 1.00 0.32 H new ATOM 0 HD3 LYS A 36 6.692 8.052 8.916 1.00 0.32 H new ATOM 0 HE2 LYS A 36 6.194 10.909 9.821 1.00 0.75 H new ATOM 0 HE3 LYS A 36 6.951 9.778 10.925 1.00 0.75 H new ATOM 0 HZ1 LYS A 36 8.844 10.285 9.892 1.00 2.04 H new ATOM 0 HZ2 LYS A 36 8.287 9.384 8.565 1.00 2.04 H new ATOM 0 HZ3 LYS A 36 8.049 11.065 8.611 1.00 2.04 H new ATOM 543 N MET A 37 4.815 12.524 5.164 1.00 0.17 N ATOM 544 CA MET A 37 3.941 13.727 5.295 1.00 0.22 C ATOM 545 C MET A 37 2.560 13.413 4.708 1.00 0.19 C ATOM 546 O MET A 37 1.615 14.158 4.881 1.00 0.37 O ATOM 547 CB MET A 37 4.574 14.894 4.537 1.00 0.31 C ATOM 548 CG MET A 37 3.943 16.206 5.006 1.00 0.47 C ATOM 549 SD MET A 37 4.498 17.728 4.199 1.00 1.34 S ATOM 550 CE MET A 37 3.771 17.401 2.574 1.00 3.05 C ATOM 0 H MET A 37 5.595 12.610 4.512 1.00 0.17 H new ATOM 0 HA MET A 37 3.834 13.996 6.346 1.00 0.22 H new ATOM 0 HB2 MET A 37 5.650 14.913 4.709 1.00 0.31 H new ATOM 0 HB3 MET A 37 4.425 14.769 3.464 1.00 0.31 H new ATOM 0 HG2 MET A 37 2.864 16.128 4.873 1.00 0.47 H new ATOM 0 HG3 MET A 37 4.126 16.305 6.076 1.00 0.47 H new ATOM 0 HE1 MET A 37 3.774 18.317 1.983 1.00 3.05 H new ATOM 0 HE2 MET A 37 4.355 16.636 2.061 1.00 3.05 H new ATOM 0 HE3 MET A 37 2.746 17.053 2.698 1.00 3.05 H new ATOM 560 N ILE A 38 2.481 12.301 4.028 1.00 0.31 N ATOM 561 CA ILE A 38 1.181 11.896 3.408 1.00 0.37 C ATOM 562 C ILE A 38 0.460 10.854 4.286 1.00 0.42 C ATOM 563 O ILE A 38 -0.595 10.367 3.932 1.00 0.57 O ATOM 564 CB ILE A 38 1.472 11.281 2.033 1.00 0.66 C ATOM 565 CG1 ILE A 38 2.280 12.277 1.167 1.00 0.87 C ATOM 566 CG2 ILE A 38 0.152 10.922 1.340 1.00 0.53 C ATOM 567 CD1 ILE A 38 1.546 13.626 1.064 1.00 0.64 C ATOM 0 H ILE A 38 3.256 11.656 3.874 1.00 0.31 H new ATOM 0 HA ILE A 38 0.539 12.772 3.313 1.00 0.37 H new ATOM 0 HB ILE A 38 2.063 10.374 2.162 1.00 0.66 H new ATOM 0 HG12 ILE A 38 3.268 12.427 1.602 1.00 0.87 H new ATOM 0 HG13 ILE A 38 2.430 11.862 0.170 1.00 0.87 H new ATOM 0 HG21 ILE A 38 0.361 10.485 0.363 1.00 0.53 H new ATOM 0 HG22 ILE A 38 -0.395 10.203 1.950 1.00 0.53 H new ATOM 0 HG23 ILE A 38 -0.449 11.822 1.214 1.00 0.53 H new ATOM 0 HD11 ILE A 38 2.130 14.312 0.451 1.00 0.64 H new ATOM 0 HD12 ILE A 38 0.568 13.474 0.607 1.00 0.64 H new ATOM 0 HD13 ILE A 38 1.419 14.048 2.061 1.00 0.64 H new ATOM 579 N LYS A 39 1.046 10.538 5.408 1.00 0.39 N ATOM 580 CA LYS A 39 0.411 9.525 6.314 1.00 0.56 C ATOM 581 C LYS A 39 -1.022 9.938 6.748 1.00 0.48 C ATOM 582 O LYS A 39 -1.945 9.168 6.607 1.00 0.51 O ATOM 583 CB LYS A 39 1.274 9.329 7.571 1.00 0.77 C ATOM 584 CG LYS A 39 1.857 7.909 7.601 1.00 0.50 C ATOM 585 CD LYS A 39 2.461 7.659 8.982 1.00 0.73 C ATOM 586 CE LYS A 39 3.277 6.363 8.951 1.00 0.78 C ATOM 587 NZ LYS A 39 3.978 6.156 10.249 1.00 0.83 N ATOM 0 H LYS A 39 1.928 10.930 5.739 1.00 0.39 H new ATOM 0 HA LYS A 39 0.340 8.595 5.750 1.00 0.56 H new ATOM 0 HB2 LYS A 39 2.081 10.061 7.584 1.00 0.77 H new ATOM 0 HB3 LYS A 39 0.673 9.502 8.464 1.00 0.77 H new ATOM 0 HG2 LYS A 39 1.078 7.176 7.390 1.00 0.50 H new ATOM 0 HG3 LYS A 39 2.618 7.796 6.829 1.00 0.50 H new ATOM 0 HD2 LYS A 39 3.097 8.496 9.270 1.00 0.73 H new ATOM 0 HD3 LYS A 39 1.671 7.587 9.729 1.00 0.73 H new ATOM 0 HE2 LYS A 39 2.620 5.518 8.747 1.00 0.78 H new ATOM 0 HE3 LYS A 39 4.005 6.404 8.141 1.00 0.78 H new ATOM 0 HZ1 LYS A 39 4.979 5.934 10.072 1.00 0.83 H new ATOM 0 HZ2 LYS A 39 3.911 7.022 10.822 1.00 0.83 H new ATOM 0 HZ3 LYS A 39 3.534 5.367 10.761 1.00 0.83 H new ATOM 601 N PRO A 40 -1.188 11.149 7.270 1.00 0.44 N ATOM 602 CA PRO A 40 -2.511 11.594 7.736 1.00 0.50 C ATOM 603 C PRO A 40 -3.576 11.436 6.642 1.00 0.38 C ATOM 604 O PRO A 40 -4.747 11.658 6.883 1.00 0.43 O ATOM 605 CB PRO A 40 -2.333 13.067 8.117 1.00 0.53 C ATOM 606 CG PRO A 40 -0.812 13.389 8.021 1.00 0.44 C ATOM 607 CD PRO A 40 -0.117 12.158 7.408 1.00 0.38 C ATOM 0 HA PRO A 40 -2.858 10.994 8.578 1.00 0.50 H new ATOM 0 HB2 PRO A 40 -2.905 13.709 7.447 1.00 0.53 H new ATOM 0 HB3 PRO A 40 -2.702 13.250 9.126 1.00 0.53 H new ATOM 0 HG2 PRO A 40 -0.645 14.271 7.403 1.00 0.44 H new ATOM 0 HG3 PRO A 40 -0.403 13.609 9.007 1.00 0.44 H new ATOM 0 HD2 PRO A 40 0.329 12.396 6.442 1.00 0.38 H new ATOM 0 HD3 PRO A 40 0.686 11.797 8.050 1.00 0.38 H new ATOM 615 N PHE A 41 -3.146 11.058 5.467 1.00 0.27 N ATOM 616 CA PHE A 41 -4.121 10.877 4.344 1.00 0.19 C ATOM 617 C PHE A 41 -4.348 9.383 4.055 1.00 0.15 C ATOM 618 O PHE A 41 -5.471 8.936 3.938 1.00 0.12 O ATOM 619 CB PHE A 41 -3.565 11.556 3.100 1.00 0.16 C ATOM 620 CG PHE A 41 -3.614 13.075 3.290 1.00 0.17 C ATOM 621 CD1 PHE A 41 -2.617 13.727 3.995 1.00 0.20 C ATOM 622 CD2 PHE A 41 -4.656 13.817 2.760 1.00 0.19 C ATOM 623 CE1 PHE A 41 -2.663 15.096 4.166 1.00 0.21 C ATOM 624 CE2 PHE A 41 -4.698 15.185 2.932 1.00 0.22 C ATOM 625 CZ PHE A 41 -3.703 15.823 3.634 1.00 0.22 C ATOM 0 H PHE A 41 -2.171 10.867 5.234 1.00 0.27 H new ATOM 0 HA PHE A 41 -5.076 11.321 4.625 1.00 0.19 H new ATOM 0 HB2 PHE A 41 -2.539 11.233 2.923 1.00 0.16 H new ATOM 0 HB3 PHE A 41 -4.146 11.268 2.224 1.00 0.16 H new ATOM 0 HD1 PHE A 41 -1.798 13.161 4.414 1.00 0.20 H new ATOM 0 HD2 PHE A 41 -5.441 13.321 2.208 1.00 0.19 H new ATOM 0 HE1 PHE A 41 -1.882 15.597 4.718 1.00 0.21 H new ATOM 0 HE2 PHE A 41 -5.514 15.756 2.514 1.00 0.22 H new ATOM 0 HZ PHE A 41 -3.738 16.894 3.768 1.00 0.22 H new ATOM 635 N PHE A 42 -3.272 8.647 3.945 1.00 0.20 N ATOM 636 CA PHE A 42 -3.402 7.181 3.649 1.00 0.21 C ATOM 637 C PHE A 42 -3.627 6.385 4.941 1.00 0.22 C ATOM 638 O PHE A 42 -4.341 5.401 4.954 1.00 0.26 O ATOM 639 CB PHE A 42 -2.111 6.696 2.984 1.00 0.28 C ATOM 640 CG PHE A 42 -2.215 5.192 2.706 1.00 0.24 C ATOM 641 CD1 PHE A 42 -3.039 4.725 1.700 1.00 0.21 C ATOM 642 CD2 PHE A 42 -1.484 4.277 3.456 1.00 0.25 C ATOM 643 CE1 PHE A 42 -3.136 3.374 1.446 1.00 0.20 C ATOM 644 CE2 PHE A 42 -1.586 2.927 3.200 1.00 0.22 C ATOM 645 CZ PHE A 42 -2.411 2.476 2.195 1.00 0.19 C ATOM 0 H PHE A 42 -2.316 8.989 4.045 1.00 0.20 H new ATOM 0 HA PHE A 42 -4.256 7.027 2.989 1.00 0.21 H new ATOM 0 HB2 PHE A 42 -1.942 7.238 2.054 1.00 0.28 H new ATOM 0 HB3 PHE A 42 -1.257 6.899 3.631 1.00 0.28 H new ATOM 0 HD1 PHE A 42 -3.611 5.424 1.108 1.00 0.21 H new ATOM 0 HD2 PHE A 42 -0.833 4.627 4.243 1.00 0.25 H new ATOM 0 HE1 PHE A 42 -3.783 3.019 0.657 1.00 0.20 H new ATOM 0 HE2 PHE A 42 -1.018 2.222 3.789 1.00 0.22 H new ATOM 0 HZ PHE A 42 -2.489 1.418 1.994 1.00 0.19 H new ATOM 655 N HIS A 43 -3.012 6.832 5.991 1.00 0.22 N ATOM 656 CA HIS A 43 -3.148 6.117 7.292 1.00 0.23 C ATOM 657 C HIS A 43 -4.458 6.512 7.988 1.00 0.23 C ATOM 658 O HIS A 43 -4.874 5.880 8.937 1.00 0.27 O ATOM 659 CB HIS A 43 -1.958 6.502 8.166 1.00 0.25 C ATOM 660 CG HIS A 43 -1.808 5.509 9.316 1.00 0.27 C ATOM 661 ND1 HIS A 43 -2.701 4.723 9.708 1.00 0.27 N ATOM 662 CD2 HIS A 43 -0.711 5.257 10.128 1.00 0.33 C ATOM 663 CE1 HIS A 43 -2.296 4.005 10.672 1.00 0.29 C ATOM 664 NE2 HIS A 43 -1.033 4.275 11.011 1.00 0.34 N ATOM 0 H HIS A 43 -2.419 7.662 6.010 1.00 0.22 H new ATOM 0 HA HIS A 43 -3.167 5.040 7.125 1.00 0.23 H new ATOM 0 HB2 HIS A 43 -1.047 6.517 7.567 1.00 0.25 H new ATOM 0 HB3 HIS A 43 -2.097 7.509 8.560 1.00 0.25 H new ATOM 0 HD1 HIS A 43 -3.636 4.667 9.303 1.00 0.27 H new ATOM 0 HD2 HIS A 43 0.243 5.759 10.068 1.00 0.33 H new ATOM 0 HE1 HIS A 43 -2.904 3.260 11.163 1.00 0.29 H new ATOM 672 N SER A 44 -5.081 7.550 7.500 1.00 0.20 N ATOM 673 CA SER A 44 -6.364 7.991 8.127 1.00 0.23 C ATOM 674 C SER A 44 -7.534 7.193 7.547 1.00 0.25 C ATOM 675 O SER A 44 -8.641 7.255 8.046 1.00 0.30 O ATOM 676 CB SER A 44 -6.573 9.478 7.852 1.00 0.26 C ATOM 677 OG SER A 44 -6.551 9.576 6.436 1.00 1.18 O ATOM 0 H SER A 44 -4.765 8.106 6.706 1.00 0.20 H new ATOM 0 HA SER A 44 -6.317 7.818 9.202 1.00 0.23 H new ATOM 0 HB2 SER A 44 -7.520 9.829 8.261 1.00 0.26 H new ATOM 0 HB3 SER A 44 -5.787 10.081 8.305 1.00 0.26 H new ATOM 0 HG SER A 44 -5.970 10.319 6.168 1.00 1.18 H new ATOM 683 N LEU A 45 -7.264 6.459 6.505 1.00 0.24 N ATOM 684 CA LEU A 45 -8.347 5.646 5.878 1.00 0.26 C ATOM 685 C LEU A 45 -8.601 4.386 6.710 1.00 0.27 C ATOM 686 O LEU A 45 -9.555 3.670 6.485 1.00 0.31 O ATOM 687 CB LEU A 45 -7.923 5.245 4.465 1.00 0.25 C ATOM 688 CG LEU A 45 -7.375 6.471 3.733 1.00 0.28 C ATOM 689 CD1 LEU A 45 -6.981 6.072 2.309 1.00 0.16 C ATOM 690 CD2 LEU A 45 -8.458 7.550 3.671 1.00 0.50 C ATOM 0 H LEU A 45 -6.348 6.385 6.062 1.00 0.24 H new ATOM 0 HA LEU A 45 -9.262 6.237 5.835 1.00 0.26 H new ATOM 0 HB2 LEU A 45 -7.164 4.464 4.509 1.00 0.25 H new ATOM 0 HB3 LEU A 45 -8.773 4.833 3.921 1.00 0.25 H new ATOM 0 HG LEU A 45 -6.504 6.856 4.263 1.00 0.28 H new ATOM 0 HD11 LEU A 45 -6.590 6.942 1.782 1.00 0.16 H new ATOM 0 HD12 LEU A 45 -6.216 5.296 2.347 1.00 0.16 H new ATOM 0 HD13 LEU A 45 -7.856 5.693 1.782 1.00 0.16 H new ATOM 0 HD21 LEU A 45 -8.070 8.425 3.150 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -9.326 7.164 3.136 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -8.751 7.830 4.683 1.00 0.50 H new ATOM 702 N SER A 46 -7.735 4.146 7.658 1.00 0.24 N ATOM 703 CA SER A 46 -7.901 2.939 8.517 1.00 0.27 C ATOM 704 C SER A 46 -9.212 3.024 9.310 1.00 0.36 C ATOM 705 O SER A 46 -9.644 2.053 9.899 1.00 0.66 O ATOM 706 CB SER A 46 -6.726 2.854 9.488 1.00 0.15 C ATOM 707 OG SER A 46 -7.337 2.806 10.769 1.00 1.22 O ATOM 0 H SER A 46 -6.926 4.729 7.873 1.00 0.24 H new ATOM 0 HA SER A 46 -7.930 2.052 7.885 1.00 0.27 H new ATOM 0 HB2 SER A 46 -6.119 1.968 9.303 1.00 0.15 H new ATOM 0 HB3 SER A 46 -6.067 3.717 9.393 1.00 0.15 H new ATOM 0 HG SER A 46 -6.644 2.748 11.460 1.00 1.22 H new ATOM 713 N GLU A 47 -9.815 4.189 9.302 1.00 0.31 N ATOM 714 CA GLU A 47 -11.098 4.368 10.057 1.00 0.39 C ATOM 715 C GLU A 47 -12.278 4.512 9.089 1.00 0.35 C ATOM 716 O GLU A 47 -13.306 3.886 9.262 1.00 0.33 O ATOM 717 CB GLU A 47 -10.994 5.627 10.916 1.00 0.49 C ATOM 718 CG GLU A 47 -10.209 5.303 12.188 1.00 0.56 C ATOM 719 CD GLU A 47 -11.183 4.876 13.288 1.00 0.93 C ATOM 720 OE1 GLU A 47 -11.833 5.767 13.811 1.00 1.89 O ATOM 721 OE2 GLU A 47 -11.221 3.684 13.544 1.00 1.65 O ATOM 0 H GLU A 47 -9.479 5.017 8.810 1.00 0.31 H new ATOM 0 HA GLU A 47 -11.267 3.493 10.684 1.00 0.39 H new ATOM 0 HB2 GLU A 47 -10.497 6.422 10.360 1.00 0.49 H new ATOM 0 HB3 GLU A 47 -11.989 5.991 11.171 1.00 0.49 H new ATOM 0 HG2 GLU A 47 -9.491 4.507 11.993 1.00 0.56 H new ATOM 0 HG3 GLU A 47 -9.639 6.175 12.509 1.00 0.56 H new ATOM 728 N LYS A 48 -12.109 5.333 8.089 1.00 0.38 N ATOM 729 CA LYS A 48 -13.220 5.532 7.110 1.00 0.39 C ATOM 730 C LYS A 48 -13.449 4.251 6.301 1.00 0.22 C ATOM 731 O LYS A 48 -14.495 3.640 6.386 1.00 0.14 O ATOM 732 CB LYS A 48 -12.858 6.675 6.163 1.00 0.61 C ATOM 733 CG LYS A 48 -14.013 6.901 5.184 1.00 0.82 C ATOM 734 CD LYS A 48 -13.896 8.303 4.582 1.00 1.31 C ATOM 735 CE LYS A 48 -15.072 8.540 3.633 1.00 1.83 C ATOM 736 NZ LYS A 48 -14.720 9.566 2.611 1.00 2.56 N ATOM 0 H LYS A 48 -11.261 5.870 7.907 1.00 0.38 H new ATOM 0 HA LYS A 48 -14.134 5.775 7.652 1.00 0.39 H new ATOM 0 HB2 LYS A 48 -12.662 7.585 6.730 1.00 0.61 H new ATOM 0 HB3 LYS A 48 -11.945 6.437 5.618 1.00 0.61 H new ATOM 0 HG2 LYS A 48 -13.988 6.150 4.394 1.00 0.82 H new ATOM 0 HG3 LYS A 48 -14.968 6.792 5.698 1.00 0.82 H new ATOM 0 HD2 LYS A 48 -13.894 9.053 5.373 1.00 1.31 H new ATOM 0 HD3 LYS A 48 -12.953 8.404 4.045 1.00 1.31 H new ATOM 0 HE2 LYS A 48 -15.343 7.606 3.141 1.00 1.83 H new ATOM 0 HE3 LYS A 48 -15.944 8.867 4.200 1.00 1.83 H new ATOM 0 HZ1 LYS A 48 -15.529 9.715 1.975 1.00 2.56 H new ATOM 0 HZ2 LYS A 48 -14.483 10.461 3.085 1.00 2.56 H new ATOM 0 HZ3 LYS A 48 -13.901 9.239 2.059 1.00 2.56 H new ATOM 750 N TYR A 49 -12.464 3.875 5.534 1.00 0.31 N ATOM 751 CA TYR A 49 -12.609 2.638 4.714 1.00 0.32 C ATOM 752 C TYR A 49 -12.273 1.402 5.554 1.00 0.33 C ATOM 753 O TYR A 49 -11.154 0.932 5.549 1.00 0.36 O ATOM 754 CB TYR A 49 -11.656 2.714 3.521 1.00 0.46 C ATOM 755 CG TYR A 49 -12.229 3.666 2.468 1.00 0.55 C ATOM 756 CD1 TYR A 49 -11.948 5.016 2.518 1.00 0.62 C ATOM 757 CD2 TYR A 49 -13.035 3.188 1.455 1.00 0.74 C ATOM 758 CE1 TYR A 49 -12.463 5.875 1.568 1.00 0.69 C ATOM 759 CE2 TYR A 49 -13.550 4.047 0.505 1.00 0.82 C ATOM 760 CZ TYR A 49 -13.268 5.397 0.554 1.00 0.71 C ATOM 761 OH TYR A 49 -13.781 6.255 -0.397 1.00 0.80 O ATOM 0 H TYR A 49 -11.574 4.364 5.439 1.00 0.31 H new ATOM 0 HA TYR A 49 -13.639 2.559 4.366 1.00 0.32 H new ATOM 0 HB2 TYR A 49 -10.676 3.063 3.847 1.00 0.46 H new ATOM 0 HB3 TYR A 49 -11.515 1.722 3.091 1.00 0.46 H new ATOM 0 HD1 TYR A 49 -11.320 5.404 3.307 1.00 0.62 H new ATOM 0 HD2 TYR A 49 -13.265 2.134 1.405 1.00 0.74 H new ATOM 0 HE1 TYR A 49 -12.234 6.929 1.619 1.00 0.69 H new ATOM 0 HE2 TYR A 49 -14.179 3.659 -0.283 1.00 0.82 H new ATOM 0 HH TYR A 49 -14.325 5.748 -1.036 1.00 0.80 H new ATOM 771 N SER A 50 -13.247 0.903 6.264 1.00 0.32 N ATOM 772 CA SER A 50 -12.991 -0.304 7.104 1.00 0.33 C ATOM 773 C SER A 50 -13.230 -1.574 6.282 1.00 0.32 C ATOM 774 O SER A 50 -12.981 -2.671 6.740 1.00 0.31 O ATOM 775 CB SER A 50 -13.933 -0.287 8.306 1.00 0.34 C ATOM 776 OG SER A 50 -15.205 0.002 7.748 1.00 0.68 O ATOM 0 H SER A 50 -14.197 1.272 6.300 1.00 0.32 H new ATOM 0 HA SER A 50 -11.956 -0.294 7.446 1.00 0.33 H new ATOM 0 HB2 SER A 50 -13.934 -1.246 8.824 1.00 0.34 H new ATOM 0 HB3 SER A 50 -13.636 0.468 9.034 1.00 0.34 H new ATOM 0 HG SER A 50 -15.876 0.030 8.461 1.00 0.68 H new ATOM 782 N ASN A 51 -13.706 -1.394 5.081 1.00 0.34 N ATOM 783 CA ASN A 51 -13.970 -2.574 4.209 1.00 0.34 C ATOM 784 C ASN A 51 -12.723 -2.922 3.387 1.00 0.25 C ATOM 785 O ASN A 51 -12.595 -4.021 2.887 1.00 0.45 O ATOM 786 CB ASN A 51 -15.124 -2.243 3.266 1.00 0.50 C ATOM 787 CG ASN A 51 -15.445 -3.468 2.408 1.00 0.72 C ATOM 788 OD1 ASN A 51 -16.080 -4.402 2.854 1.00 0.37 O ATOM 789 ND2 ASN A 51 -15.025 -3.503 1.173 1.00 1.93 N ATOM 0 H ASN A 51 -13.923 -0.487 4.667 1.00 0.34 H new ATOM 0 HA ASN A 51 -14.227 -3.430 4.832 1.00 0.34 H new ATOM 0 HB2 ASN A 51 -16.003 -1.946 3.839 1.00 0.50 H new ATOM 0 HB3 ASN A 51 -14.858 -1.399 2.630 1.00 0.50 H new ATOM 0 HD21 ASN A 51 -15.231 -4.312 0.587 1.00 1.93 H new ATOM 0 HD22 ASN A 51 -14.491 -2.721 0.793 1.00 1.93 H new ATOM 796 N VAL A 52 -11.832 -1.972 3.267 1.00 0.48 N ATOM 797 CA VAL A 52 -10.587 -2.222 2.475 1.00 0.37 C ATOM 798 C VAL A 52 -9.400 -2.473 3.411 1.00 0.26 C ATOM 799 O VAL A 52 -9.358 -1.957 4.512 1.00 0.26 O ATOM 800 CB VAL A 52 -10.294 -0.994 1.615 1.00 0.41 C ATOM 801 CG1 VAL A 52 -9.100 -1.286 0.701 1.00 0.39 C ATOM 802 CG2 VAL A 52 -11.517 -0.674 0.759 1.00 0.55 C ATOM 0 H VAL A 52 -11.909 -1.042 3.678 1.00 0.48 H new ATOM 0 HA VAL A 52 -10.733 -3.101 1.847 1.00 0.37 H new ATOM 0 HB VAL A 52 -10.063 -0.145 2.258 1.00 0.41 H new ATOM 0 HG11 VAL A 52 -8.890 -0.411 0.087 1.00 0.39 H new ATOM 0 HG12 VAL A 52 -8.226 -1.522 1.308 1.00 0.39 H new ATOM 0 HG13 VAL A 52 -9.334 -2.134 0.057 1.00 0.39 H new ATOM 0 HG21 VAL A 52 -11.311 0.202 0.144 1.00 0.55 H new ATOM 0 HG22 VAL A 52 -11.743 -1.524 0.116 1.00 0.55 H new ATOM 0 HG23 VAL A 52 -12.371 -0.471 1.406 1.00 0.55 H new ATOM 812 N ILE A 53 -8.457 -3.258 2.950 1.00 0.18 N ATOM 813 CA ILE A 53 -7.259 -3.541 3.794 1.00 0.11 C ATOM 814 C ILE A 53 -6.098 -2.674 3.323 1.00 0.06 C ATOM 815 O ILE A 53 -5.868 -2.534 2.136 1.00 0.15 O ATOM 816 CB ILE A 53 -6.893 -5.018 3.672 1.00 0.15 C ATOM 817 CG1 ILE A 53 -8.158 -5.854 3.882 1.00 0.48 C ATOM 818 CG2 ILE A 53 -5.859 -5.373 4.745 1.00 0.51 C ATOM 819 CD1 ILE A 53 -7.776 -7.321 4.082 1.00 1.00 C ATOM 0 H ILE A 53 -8.466 -3.710 2.036 1.00 0.18 H new ATOM 0 HA ILE A 53 -7.477 -3.313 4.837 1.00 0.11 H new ATOM 0 HB ILE A 53 -6.473 -5.222 2.687 1.00 0.15 H new ATOM 0 HG12 ILE A 53 -8.707 -5.489 4.750 1.00 0.48 H new ATOM 0 HG13 ILE A 53 -8.819 -5.754 3.021 1.00 0.48 H new ATOM 0 HG21 ILE A 53 -5.595 -6.427 4.661 1.00 0.51 H new ATOM 0 HG22 ILE A 53 -4.966 -4.763 4.606 1.00 0.51 H new ATOM 0 HG23 ILE A 53 -6.279 -5.182 5.732 1.00 0.51 H new ATOM 0 HD11 ILE A 53 -8.678 -7.915 4.231 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -7.246 -7.682 3.201 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -7.132 -7.413 4.956 1.00 1.00 H new ATOM 831 N PHE A 54 -5.391 -2.111 4.266 1.00 0.13 N ATOM 832 CA PHE A 54 -4.250 -1.221 3.904 1.00 0.12 C ATOM 833 C PHE A 54 -2.939 -1.738 4.496 1.00 0.14 C ATOM 834 O PHE A 54 -2.911 -2.276 5.583 1.00 0.22 O ATOM 835 CB PHE A 54 -4.537 0.170 4.455 1.00 0.13 C ATOM 836 CG PHE A 54 -5.821 0.701 3.815 1.00 0.14 C ATOM 837 CD1 PHE A 54 -5.777 1.372 2.608 1.00 0.18 C ATOM 838 CD2 PHE A 54 -7.044 0.515 4.437 1.00 0.15 C ATOM 839 CE1 PHE A 54 -6.934 1.851 2.032 1.00 0.22 C ATOM 840 CE2 PHE A 54 -8.200 0.994 3.856 1.00 0.19 C ATOM 841 CZ PHE A 54 -8.144 1.661 2.655 1.00 0.22 C ATOM 0 H PHE A 54 -5.553 -2.228 5.266 1.00 0.13 H new ATOM 0 HA PHE A 54 -4.145 -1.197 2.819 1.00 0.12 H new ATOM 0 HB2 PHE A 54 -4.644 0.131 5.539 1.00 0.13 H new ATOM 0 HB3 PHE A 54 -3.704 0.840 4.241 1.00 0.13 H new ATOM 0 HD1 PHE A 54 -4.829 1.522 2.112 1.00 0.18 H new ATOM 0 HD2 PHE A 54 -7.093 -0.007 5.381 1.00 0.15 H new ATOM 0 HE1 PHE A 54 -6.890 2.376 1.090 1.00 0.22 H new ATOM 0 HE2 PHE A 54 -9.151 0.845 4.346 1.00 0.19 H new ATOM 0 HZ PHE A 54 -9.050 2.035 2.202 1.00 0.22 H new ATOM 851 N LEU A 55 -1.887 -1.577 3.744 1.00 0.22 N ATOM 852 CA LEU A 55 -0.546 -2.016 4.228 1.00 0.22 C ATOM 853 C LEU A 55 0.472 -0.898 3.975 1.00 0.14 C ATOM 854 O LEU A 55 0.271 -0.054 3.122 1.00 0.09 O ATOM 855 CB LEU A 55 -0.105 -3.277 3.475 1.00 0.26 C ATOM 856 CG LEU A 55 -1.321 -4.168 3.172 1.00 0.34 C ATOM 857 CD1 LEU A 55 -1.981 -3.720 1.876 1.00 0.50 C ATOM 858 CD2 LEU A 55 -0.853 -5.605 2.985 1.00 0.53 C ATOM 0 H LEU A 55 -1.896 -1.160 2.813 1.00 0.22 H new ATOM 0 HA LEU A 55 -0.603 -2.235 5.294 1.00 0.22 H new ATOM 0 HB2 LEU A 55 0.392 -2.999 2.545 1.00 0.26 H new ATOM 0 HB3 LEU A 55 0.621 -3.830 4.071 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.028 -4.094 3.999 1.00 0.34 H new ATOM 0 HD11 LEU A 55 -2.842 -4.355 1.667 1.00 0.50 H new ATOM 0 HD12 LEU A 55 -2.309 -2.685 1.974 1.00 0.50 H new ATOM 0 HD13 LEU A 55 -1.266 -3.798 1.057 1.00 0.50 H new ATOM 0 HD21 LEU A 55 -1.711 -6.242 2.770 1.00 0.53 H new ATOM 0 HD22 LEU A 55 -0.148 -5.653 2.155 1.00 0.53 H new ATOM 0 HD23 LEU A 55 -0.364 -5.950 3.896 1.00 0.53 H new ATOM 870 N GLU A 56 1.544 -0.926 4.715 1.00 0.24 N ATOM 871 CA GLU A 56 2.596 0.126 4.546 1.00 0.18 C ATOM 872 C GLU A 56 3.980 -0.532 4.502 1.00 0.19 C ATOM 873 O GLU A 56 4.433 -1.079 5.487 1.00 0.22 O ATOM 874 CB GLU A 56 2.530 1.090 5.730 1.00 0.18 C ATOM 875 CG GLU A 56 3.468 2.272 5.470 1.00 0.33 C ATOM 876 CD GLU A 56 3.311 3.299 6.594 1.00 0.65 C ATOM 877 OE1 GLU A 56 3.896 3.053 7.636 1.00 1.10 O ATOM 878 OE2 GLU A 56 2.616 4.270 6.345 1.00 1.60 O ATOM 0 H GLU A 56 1.741 -1.628 5.429 1.00 0.24 H new ATOM 0 HA GLU A 56 2.426 0.668 3.616 1.00 0.18 H new ATOM 0 HB2 GLU A 56 1.509 1.445 5.869 1.00 0.18 H new ATOM 0 HB3 GLU A 56 2.817 0.577 6.648 1.00 0.18 H new ATOM 0 HG2 GLU A 56 4.501 1.927 5.419 1.00 0.33 H new ATOM 0 HG3 GLU A 56 3.237 2.730 4.508 1.00 0.33 H new ATOM 885 N VAL A 57 4.623 -0.464 3.363 1.00 0.19 N ATOM 886 CA VAL A 57 5.975 -1.100 3.250 1.00 0.22 C ATOM 887 C VAL A 57 7.079 -0.050 3.398 1.00 0.24 C ATOM 888 O VAL A 57 7.014 1.017 2.814 1.00 0.20 O ATOM 889 CB VAL A 57 6.106 -1.778 1.888 1.00 0.23 C ATOM 890 CG1 VAL A 57 7.533 -2.310 1.728 1.00 0.26 C ATOM 891 CG2 VAL A 57 5.121 -2.942 1.806 1.00 0.23 C ATOM 0 H VAL A 57 4.280 -0.005 2.519 1.00 0.19 H new ATOM 0 HA VAL A 57 6.080 -1.837 4.046 1.00 0.22 H new ATOM 0 HB VAL A 57 5.889 -1.060 1.097 1.00 0.23 H new ATOM 0 HG11 VAL A 57 7.634 -2.796 0.757 1.00 0.26 H new ATOM 0 HG12 VAL A 57 8.239 -1.483 1.795 1.00 0.26 H new ATOM 0 HG13 VAL A 57 7.743 -3.031 2.518 1.00 0.26 H new ATOM 0 HG21 VAL A 57 5.212 -3.428 0.835 1.00 0.23 H new ATOM 0 HG22 VAL A 57 5.342 -3.662 2.594 1.00 0.23 H new ATOM 0 HG23 VAL A 57 4.105 -2.568 1.931 1.00 0.23 H new ATOM 901 N ASP A 58 8.071 -0.381 4.179 1.00 0.30 N ATOM 902 CA ASP A 58 9.199 0.569 4.382 1.00 0.32 C ATOM 903 C ASP A 58 10.340 0.240 3.412 1.00 0.32 C ATOM 904 O ASP A 58 11.007 -0.766 3.553 1.00 0.34 O ATOM 905 CB ASP A 58 9.701 0.445 5.820 1.00 0.33 C ATOM 906 CG ASP A 58 10.715 1.553 6.102 1.00 0.35 C ATOM 907 OD1 ASP A 58 10.958 2.313 5.179 1.00 0.64 O ATOM 908 OD2 ASP A 58 11.191 1.577 7.226 1.00 1.35 O ATOM 0 H ASP A 58 8.148 -1.264 4.683 1.00 0.30 H new ATOM 0 HA ASP A 58 8.856 1.586 4.195 1.00 0.32 H new ATOM 0 HB2 ASP A 58 8.865 0.516 6.516 1.00 0.33 H new ATOM 0 HB3 ASP A 58 10.161 -0.531 5.973 1.00 0.33 H new ATOM 913 N VAL A 59 10.539 1.096 2.447 1.00 0.30 N ATOM 914 CA VAL A 59 11.629 0.846 1.458 1.00 0.30 C ATOM 915 C VAL A 59 13.001 1.008 2.121 1.00 0.30 C ATOM 916 O VAL A 59 14.014 1.050 1.451 1.00 0.32 O ATOM 917 CB VAL A 59 11.497 1.843 0.305 1.00 0.30 C ATOM 918 CG1 VAL A 59 10.126 1.677 -0.356 1.00 0.38 C ATOM 919 CG2 VAL A 59 11.618 3.266 0.856 1.00 0.27 C ATOM 0 H VAL A 59 10.001 1.950 2.300 1.00 0.30 H new ATOM 0 HA VAL A 59 11.542 -0.173 1.082 1.00 0.30 H new ATOM 0 HB VAL A 59 12.282 1.661 -0.428 1.00 0.30 H new ATOM 0 HG11 VAL A 59 10.030 2.387 -1.178 1.00 0.38 H new ATOM 0 HG12 VAL A 59 10.028 0.662 -0.740 1.00 0.38 H new ATOM 0 HG13 VAL A 59 9.343 1.864 0.379 1.00 0.38 H new ATOM 0 HG21 VAL A 59 11.525 3.982 0.039 1.00 0.27 H new ATOM 0 HG22 VAL A 59 10.827 3.442 1.585 1.00 0.27 H new ATOM 0 HG23 VAL A 59 12.588 3.389 1.337 1.00 0.27 H new ATOM 929 N ASP A 60 13.005 1.095 3.424 1.00 0.42 N ATOM 930 CA ASP A 60 14.303 1.255 4.146 1.00 0.45 C ATOM 931 C ASP A 60 14.794 -0.102 4.667 1.00 0.38 C ATOM 932 O ASP A 60 15.923 -0.486 4.430 1.00 0.40 O ATOM 933 CB ASP A 60 14.104 2.208 5.324 1.00 0.48 C ATOM 934 CG ASP A 60 15.433 2.383 6.063 1.00 0.59 C ATOM 935 OD1 ASP A 60 16.300 3.009 5.477 1.00 0.98 O ATOM 936 OD2 ASP A 60 15.505 1.878 7.172 1.00 1.92 O ATOM 0 H ASP A 60 12.175 1.063 4.016 1.00 0.42 H new ATOM 0 HA ASP A 60 15.047 1.658 3.459 1.00 0.45 H new ATOM 0 HB2 ASP A 60 13.742 3.173 4.969 1.00 0.48 H new ATOM 0 HB3 ASP A 60 13.347 1.814 6.002 1.00 0.48 H new ATOM 941 N ASP A 61 13.933 -0.798 5.361 1.00 0.33 N ATOM 942 CA ASP A 61 14.333 -2.129 5.914 1.00 0.31 C ATOM 943 C ASP A 61 13.769 -3.264 5.049 1.00 0.32 C ATOM 944 O ASP A 61 14.262 -4.375 5.087 1.00 0.47 O ATOM 945 CB ASP A 61 13.789 -2.259 7.336 1.00 0.28 C ATOM 946 CG ASP A 61 14.325 -3.546 7.968 1.00 0.63 C ATOM 947 OD1 ASP A 61 15.483 -3.833 7.713 1.00 1.96 O ATOM 948 OD2 ASP A 61 13.546 -4.168 8.671 1.00 0.97 O ATOM 0 H ASP A 61 12.978 -0.507 5.569 1.00 0.33 H new ATOM 0 HA ASP A 61 15.421 -2.200 5.917 1.00 0.31 H new ATOM 0 HB2 ASP A 61 14.087 -1.396 7.932 1.00 0.28 H new ATOM 0 HB3 ASP A 61 12.699 -2.274 7.321 1.00 0.28 H new ATOM 953 N CYS A 62 12.746 -2.958 4.287 1.00 0.32 N ATOM 954 CA CYS A 62 12.128 -4.008 3.413 1.00 0.30 C ATOM 955 C CYS A 62 12.396 -3.702 1.935 1.00 0.33 C ATOM 956 O CYS A 62 11.523 -3.844 1.102 1.00 0.37 O ATOM 957 CB CYS A 62 10.620 -4.031 3.659 1.00 0.32 C ATOM 958 SG CYS A 62 10.050 -3.755 5.355 1.00 0.44 S ATOM 0 H CYS A 62 12.315 -2.035 4.232 1.00 0.32 H new ATOM 0 HA CYS A 62 12.566 -4.977 3.654 1.00 0.30 H new ATOM 0 HB2 CYS A 62 10.163 -3.273 3.022 1.00 0.32 H new ATOM 0 HB3 CYS A 62 10.239 -4.997 3.328 1.00 0.32 H new ATOM 0 HG CYS A 62 10.273 -4.820 6.066 1.00 0.44 H new ATOM 964 N GLN A 63 13.599 -3.291 1.640 1.00 0.32 N ATOM 965 CA GLN A 63 13.937 -2.977 0.226 1.00 0.37 C ATOM 966 C GLN A 63 13.787 -4.224 -0.647 1.00 0.36 C ATOM 967 O GLN A 63 13.705 -4.135 -1.857 1.00 0.40 O ATOM 968 CB GLN A 63 15.377 -2.473 0.156 1.00 0.47 C ATOM 969 CG GLN A 63 16.261 -3.354 1.042 1.00 1.18 C ATOM 970 CD GLN A 63 17.627 -3.531 0.377 1.00 1.46 C ATOM 971 OE1 GLN A 63 17.789 -4.320 -0.534 1.00 2.29 O ATOM 972 NE2 GLN A 63 18.635 -2.819 0.799 1.00 1.27 N ATOM 0 H GLN A 63 14.356 -3.160 2.312 1.00 0.32 H new ATOM 0 HA GLN A 63 13.256 -2.209 -0.142 1.00 0.37 H new ATOM 0 HB2 GLN A 63 15.734 -2.497 -0.874 1.00 0.47 H new ATOM 0 HB3 GLN A 63 15.429 -1.436 0.487 1.00 0.47 H new ATOM 0 HG2 GLN A 63 16.379 -2.899 2.025 1.00 1.18 H new ATOM 0 HG3 GLN A 63 15.790 -4.325 1.195 1.00 1.18 H new ATOM 0 HE21 GLN A 63 18.506 -2.155 1.563 1.00 1.27 H new ATOM 0 HE22 GLN A 63 19.552 -2.926 0.365 1.00 1.27 H new ATOM 981 N ASP A 64 13.755 -5.361 -0.015 1.00 0.36 N ATOM 982 CA ASP A 64 13.616 -6.626 -0.785 1.00 0.41 C ATOM 983 C ASP A 64 12.221 -6.723 -1.403 1.00 0.34 C ATOM 984 O ASP A 64 12.046 -7.283 -2.467 1.00 0.33 O ATOM 985 CB ASP A 64 13.844 -7.810 0.151 1.00 0.51 C ATOM 986 CG ASP A 64 12.786 -7.795 1.256 1.00 0.17 C ATOM 987 OD1 ASP A 64 12.863 -6.886 2.066 1.00 1.23 O ATOM 988 OD2 ASP A 64 11.960 -8.692 1.226 1.00 1.52 O ATOM 0 H ASP A 64 13.819 -5.470 0.997 1.00 0.36 H new ATOM 0 HA ASP A 64 14.355 -6.639 -1.586 1.00 0.41 H new ATOM 0 HB2 ASP A 64 13.790 -8.745 -0.407 1.00 0.51 H new ATOM 0 HB3 ASP A 64 14.842 -7.756 0.587 1.00 0.51 H new ATOM 993 N VAL A 65 11.264 -6.177 -0.720 1.00 0.41 N ATOM 994 CA VAL A 65 9.874 -6.223 -1.238 1.00 0.34 C ATOM 995 C VAL A 65 9.664 -5.145 -2.299 1.00 0.25 C ATOM 996 O VAL A 65 8.891 -5.314 -3.219 1.00 0.27 O ATOM 997 CB VAL A 65 8.909 -5.998 -0.093 1.00 0.34 C ATOM 998 CG1 VAL A 65 7.487 -6.323 -0.558 1.00 0.33 C ATOM 999 CG2 VAL A 65 9.281 -6.920 1.071 1.00 0.37 C ATOM 0 H VAL A 65 11.382 -5.701 0.174 1.00 0.41 H new ATOM 0 HA VAL A 65 9.696 -7.199 -1.690 1.00 0.34 H new ATOM 0 HB VAL A 65 8.961 -4.958 0.230 1.00 0.34 H new ATOM 0 HG11 VAL A 65 6.790 -6.162 0.264 1.00 0.33 H new ATOM 0 HG12 VAL A 65 7.220 -5.675 -1.393 1.00 0.33 H new ATOM 0 HG13 VAL A 65 7.438 -7.364 -0.877 1.00 0.33 H new ATOM 0 HG21 VAL A 65 8.588 -6.761 1.897 1.00 0.37 H new ATOM 0 HG22 VAL A 65 9.224 -7.959 0.745 1.00 0.37 H new ATOM 0 HG23 VAL A 65 10.296 -6.698 1.401 1.00 0.37 H new ATOM 1009 N ALA A 66 10.347 -4.059 -2.141 1.00 0.24 N ATOM 1010 CA ALA A 66 10.211 -2.965 -3.132 1.00 0.13 C ATOM 1011 C ALA A 66 10.866 -3.378 -4.449 1.00 0.14 C ATOM 1012 O ALA A 66 10.357 -3.109 -5.517 1.00 0.17 O ATOM 1013 CB ALA A 66 10.889 -1.706 -2.594 1.00 0.19 C ATOM 0 H ALA A 66 10.993 -3.878 -1.372 1.00 0.24 H new ATOM 0 HA ALA A 66 9.154 -2.763 -3.306 1.00 0.13 H new ATOM 0 HB1 ALA A 66 10.790 -0.900 -3.321 1.00 0.19 H new ATOM 0 HB2 ALA A 66 10.416 -1.410 -1.658 1.00 0.19 H new ATOM 0 HB3 ALA A 66 11.946 -1.908 -2.418 1.00 0.19 H new ATOM 1019 N SER A 67 11.978 -4.032 -4.335 1.00 0.11 N ATOM 1020 CA SER A 67 12.696 -4.479 -5.555 1.00 0.13 C ATOM 1021 C SER A 67 11.931 -5.616 -6.232 1.00 0.14 C ATOM 1022 O SER A 67 12.287 -6.055 -7.309 1.00 0.25 O ATOM 1023 CB SER A 67 14.093 -4.961 -5.167 1.00 0.25 C ATOM 1024 OG SER A 67 14.797 -5.017 -6.398 1.00 0.83 O ATOM 0 H SER A 67 12.424 -4.278 -3.451 1.00 0.11 H new ATOM 0 HA SER A 67 12.773 -3.644 -6.252 1.00 0.13 H new ATOM 0 HB2 SER A 67 14.570 -4.276 -4.466 1.00 0.25 H new ATOM 0 HB3 SER A 67 14.057 -5.937 -4.684 1.00 0.25 H new ATOM 0 HG SER A 67 14.214 -5.390 -7.092 1.00 0.83 H new ATOM 1030 N GLU A 68 10.896 -6.071 -5.587 1.00 0.11 N ATOM 1031 CA GLU A 68 10.097 -7.170 -6.175 1.00 0.17 C ATOM 1032 C GLU A 68 8.983 -6.578 -7.030 1.00 0.13 C ATOM 1033 O GLU A 68 8.559 -7.163 -8.007 1.00 0.18 O ATOM 1034 CB GLU A 68 9.504 -8.020 -5.045 1.00 0.36 C ATOM 1035 CG GLU A 68 8.411 -8.936 -5.604 1.00 0.38 C ATOM 1036 CD GLU A 68 8.915 -9.623 -6.875 1.00 1.40 C ATOM 1037 OE1 GLU A 68 9.968 -10.231 -6.780 1.00 2.08 O ATOM 1038 OE2 GLU A 68 8.218 -9.503 -7.869 1.00 2.45 O ATOM 0 H GLU A 68 10.572 -5.729 -4.682 1.00 0.11 H new ATOM 0 HA GLU A 68 10.729 -7.800 -6.801 1.00 0.17 H new ATOM 0 HB2 GLU A 68 10.287 -8.617 -4.577 1.00 0.36 H new ATOM 0 HB3 GLU A 68 9.089 -7.374 -4.271 1.00 0.36 H new ATOM 0 HG2 GLU A 68 8.134 -9.683 -4.860 1.00 0.38 H new ATOM 0 HG3 GLU A 68 7.514 -8.357 -5.823 1.00 0.38 H new ATOM 1045 N CYS A 69 8.535 -5.425 -6.637 1.00 0.17 N ATOM 1046 CA CYS A 69 7.456 -4.751 -7.408 1.00 0.32 C ATOM 1047 C CYS A 69 8.078 -3.936 -8.542 1.00 0.38 C ATOM 1048 O CYS A 69 7.384 -3.415 -9.393 1.00 0.58 O ATOM 1049 CB CYS A 69 6.677 -3.822 -6.478 1.00 0.32 C ATOM 1050 SG CYS A 69 5.474 -4.581 -5.358 1.00 0.44 S ATOM 0 H CYS A 69 8.867 -4.918 -5.816 1.00 0.17 H new ATOM 0 HA CYS A 69 6.781 -5.498 -7.826 1.00 0.32 H new ATOM 0 HB2 CYS A 69 7.397 -3.269 -5.874 1.00 0.32 H new ATOM 0 HB3 CYS A 69 6.150 -3.093 -7.094 1.00 0.32 H new ATOM 0 HG CYS A 69 5.372 -3.862 -4.279 1.00 0.44 H new ATOM 1056 N GLU A 70 9.379 -3.843 -8.522 1.00 0.30 N ATOM 1057 CA GLU A 70 10.078 -3.072 -9.587 1.00 0.49 C ATOM 1058 C GLU A 70 9.635 -1.609 -9.562 1.00 0.60 C ATOM 1059 O GLU A 70 9.340 -1.030 -10.588 1.00 0.77 O ATOM 1060 CB GLU A 70 9.743 -3.683 -10.947 1.00 0.63 C ATOM 1061 CG GLU A 70 10.831 -3.301 -11.953 1.00 0.86 C ATOM 1062 CD GLU A 70 11.948 -4.345 -11.911 1.00 1.02 C ATOM 1063 OE1 GLU A 70 12.817 -4.174 -11.071 1.00 2.27 O ATOM 1064 OE2 GLU A 70 11.871 -5.254 -12.720 1.00 1.53 O ATOM 0 H GLU A 70 9.985 -4.265 -7.818 1.00 0.30 H new ATOM 0 HA GLU A 70 11.153 -3.115 -9.413 1.00 0.49 H new ATOM 0 HB2 GLU A 70 9.672 -4.768 -10.864 1.00 0.63 H new ATOM 0 HB3 GLU A 70 8.772 -3.326 -11.290 1.00 0.63 H new ATOM 0 HG2 GLU A 70 10.410 -3.243 -12.957 1.00 0.86 H new ATOM 0 HG3 GLU A 70 11.230 -2.315 -11.717 1.00 0.86 H new ATOM 1071 N VAL A 71 9.597 -1.038 -8.388 1.00 0.51 N ATOM 1072 CA VAL A 71 9.178 0.393 -8.295 1.00 0.62 C ATOM 1073 C VAL A 71 10.221 1.286 -8.970 1.00 1.10 C ATOM 1074 O VAL A 71 11.323 0.852 -9.250 1.00 1.47 O ATOM 1075 CB VAL A 71 9.039 0.804 -6.825 1.00 0.19 C ATOM 1076 CG1 VAL A 71 7.932 1.849 -6.699 1.00 0.17 C ATOM 1077 CG2 VAL A 71 8.668 -0.415 -5.977 1.00 0.24 C ATOM 0 H VAL A 71 9.833 -1.489 -7.504 1.00 0.51 H new ATOM 0 HA VAL A 71 8.218 0.510 -8.797 1.00 0.62 H new ATOM 0 HB VAL A 71 9.986 1.215 -6.476 1.00 0.19 H new ATOM 0 HG11 VAL A 71 7.828 2.145 -5.655 1.00 0.17 H new ATOM 0 HG12 VAL A 71 8.185 2.722 -7.301 1.00 0.17 H new ATOM 0 HG13 VAL A 71 6.991 1.426 -7.051 1.00 0.17 H new ATOM 0 HG21 VAL A 71 8.571 -0.116 -4.933 1.00 0.24 H new ATOM 0 HG22 VAL A 71 7.721 -0.827 -6.326 1.00 0.24 H new ATOM 0 HG23 VAL A 71 9.448 -1.171 -6.067 1.00 0.24 H new ATOM 1087 N LYS A 72 9.848 2.516 -9.217 1.00 1.20 N ATOM 1088 CA LYS A 72 10.798 3.467 -9.872 1.00 1.68 C ATOM 1089 C LYS A 72 10.918 4.747 -9.039 1.00 1.12 C ATOM 1090 O LYS A 72 11.779 5.569 -9.282 1.00 0.96 O ATOM 1091 CB LYS A 72 10.271 3.816 -11.264 1.00 2.41 C ATOM 1092 CG LYS A 72 11.296 3.381 -12.312 1.00 3.04 C ATOM 1093 CD LYS A 72 10.807 3.808 -13.697 1.00 4.20 C ATOM 1094 CE LYS A 72 11.638 3.094 -14.766 1.00 4.83 C ATOM 1095 NZ LYS A 72 11.165 3.468 -16.128 1.00 6.05 N ATOM 0 H LYS A 72 8.931 2.902 -8.995 1.00 1.20 H new ATOM 0 HA LYS A 72 11.780 3.001 -9.950 1.00 1.68 H new ATOM 0 HB2 LYS A 72 9.318 3.317 -11.441 1.00 2.41 H new ATOM 0 HB3 LYS A 72 10.089 4.888 -11.339 1.00 2.41 H new ATOM 0 HG2 LYS A 72 12.265 3.832 -12.100 1.00 3.04 H new ATOM 0 HG3 LYS A 72 11.433 2.300 -12.278 1.00 3.04 H new ATOM 0 HD2 LYS A 72 9.752 3.562 -13.815 1.00 4.20 H new ATOM 0 HD3 LYS A 72 10.897 4.888 -13.811 1.00 4.20 H new ATOM 0 HE2 LYS A 72 12.690 3.358 -14.654 1.00 4.83 H new ATOM 0 HE3 LYS A 72 11.564 2.015 -14.632 1.00 4.83 H new ATOM 0 HZ1 LYS A 72 11.739 2.976 -16.842 1.00 6.05 H new ATOM 0 HZ2 LYS A 72 10.168 3.194 -16.236 1.00 6.05 H new ATOM 0 HZ3 LYS A 72 11.258 4.496 -16.258 1.00 6.05 H new ATOM 1109 N CYS A 73 10.053 4.887 -8.071 1.00 0.85 N ATOM 1110 CA CYS A 73 10.105 6.110 -7.217 1.00 0.35 C ATOM 1111 C CYS A 73 9.003 6.073 -6.162 1.00 0.29 C ATOM 1112 O CYS A 73 7.876 5.714 -6.442 1.00 0.45 O ATOM 1113 CB CYS A 73 9.928 7.344 -8.100 1.00 0.23 C ATOM 1114 SG CYS A 73 8.811 7.198 -9.517 1.00 0.85 S ATOM 0 H CYS A 73 9.321 4.217 -7.836 1.00 0.85 H new ATOM 0 HA CYS A 73 11.069 6.150 -6.710 1.00 0.35 H new ATOM 0 HB2 CYS A 73 9.571 8.160 -7.472 1.00 0.23 H new ATOM 0 HB3 CYS A 73 10.910 7.635 -8.473 1.00 0.23 H new ATOM 0 HG CYS A 73 8.772 8.329 -10.157 1.00 0.85 H new ATOM 1120 N THR A 74 9.356 6.450 -4.967 1.00 0.44 N ATOM 1121 CA THR A 74 8.355 6.453 -3.868 1.00 0.42 C ATOM 1122 C THR A 74 7.767 7.874 -3.719 1.00 0.41 C ATOM 1123 O THR A 74 8.412 8.842 -4.071 1.00 0.44 O ATOM 1124 CB THR A 74 9.068 6.046 -2.570 1.00 0.50 C ATOM 1125 OG1 THR A 74 10.334 6.695 -2.640 1.00 0.62 O ATOM 1126 CG2 THR A 74 9.387 4.554 -2.552 1.00 0.53 C ATOM 0 H THR A 74 10.293 6.756 -4.704 1.00 0.44 H new ATOM 0 HA THR A 74 7.546 5.755 -4.084 1.00 0.42 H new ATOM 0 HB THR A 74 8.449 6.297 -1.708 1.00 0.50 H new ATOM 0 HG1 THR A 74 10.995 6.082 -3.023 1.00 0.62 H new ATOM 0 HG21 THR A 74 9.891 4.301 -1.619 1.00 0.53 H new ATOM 0 HG22 THR A 74 8.462 3.983 -2.631 1.00 0.53 H new ATOM 0 HG23 THR A 74 10.036 4.311 -3.393 1.00 0.53 H new ATOM 1134 N PRO A 75 6.550 7.983 -3.197 1.00 0.37 N ATOM 1135 CA PRO A 75 5.714 6.839 -2.769 1.00 0.33 C ATOM 1136 C PRO A 75 5.043 6.161 -3.974 1.00 0.27 C ATOM 1137 O PRO A 75 4.721 6.810 -4.958 1.00 0.24 O ATOM 1138 CB PRO A 75 4.634 7.462 -1.880 1.00 0.33 C ATOM 1139 CG PRO A 75 4.721 9.007 -2.066 1.00 0.38 C ATOM 1140 CD PRO A 75 5.954 9.294 -2.946 1.00 0.39 C ATOM 0 HA PRO A 75 6.308 6.079 -2.262 1.00 0.33 H new ATOM 0 HB2 PRO A 75 3.646 7.096 -2.160 1.00 0.33 H new ATOM 0 HB3 PRO A 75 4.791 7.190 -0.836 1.00 0.33 H new ATOM 0 HG2 PRO A 75 3.815 9.389 -2.537 1.00 0.38 H new ATOM 0 HG3 PRO A 75 4.813 9.506 -1.101 1.00 0.38 H new ATOM 0 HD2 PRO A 75 5.669 9.784 -3.877 1.00 0.39 H new ATOM 0 HD3 PRO A 75 6.656 9.957 -2.439 1.00 0.39 H new ATOM 1148 N THR A 76 4.844 4.869 -3.864 1.00 0.27 N ATOM 1149 CA THR A 76 4.185 4.123 -4.977 1.00 0.23 C ATOM 1150 C THR A 76 3.034 3.283 -4.425 1.00 0.23 C ATOM 1151 O THR A 76 3.229 2.436 -3.575 1.00 0.28 O ATOM 1152 CB THR A 76 5.211 3.210 -5.656 1.00 0.25 C ATOM 1153 OG1 THR A 76 6.119 4.101 -6.298 1.00 0.22 O ATOM 1154 CG2 THR A 76 4.578 2.398 -6.784 1.00 0.23 C ATOM 0 H THR A 76 5.108 4.304 -3.057 1.00 0.27 H new ATOM 0 HA THR A 76 3.792 4.832 -5.705 1.00 0.23 H new ATOM 0 HB THR A 76 5.650 2.533 -4.923 1.00 0.25 H new ATOM 0 HG1 THR A 76 6.807 4.383 -5.660 1.00 0.22 H new ATOM 0 HG21 THR A 76 5.335 1.762 -7.243 1.00 0.23 H new ATOM 0 HG22 THR A 76 3.778 1.777 -6.381 1.00 0.23 H new ATOM 0 HG23 THR A 76 4.169 3.075 -7.534 1.00 0.23 H new ATOM 1162 N PHE A 77 1.854 3.534 -4.920 1.00 0.21 N ATOM 1163 CA PHE A 77 0.679 2.762 -4.428 1.00 0.23 C ATOM 1164 C PHE A 77 0.431 1.541 -5.311 1.00 0.25 C ATOM 1165 O PHE A 77 0.387 1.646 -6.521 1.00 0.27 O ATOM 1166 CB PHE A 77 -0.550 3.663 -4.446 1.00 0.24 C ATOM 1167 CG PHE A 77 -0.474 4.625 -3.266 1.00 0.24 C ATOM 1168 CD1 PHE A 77 -0.606 4.149 -1.978 1.00 0.26 C ATOM 1169 CD2 PHE A 77 -0.273 5.980 -3.467 1.00 0.24 C ATOM 1170 CE1 PHE A 77 -0.541 5.013 -0.904 1.00 0.26 C ATOM 1171 CE2 PHE A 77 -0.207 6.842 -2.393 1.00 0.24 C ATOM 1172 CZ PHE A 77 -0.340 6.358 -1.113 1.00 0.24 C ATOM 0 H PHE A 77 1.653 4.232 -5.636 1.00 0.21 H new ATOM 0 HA PHE A 77 0.878 2.420 -3.412 1.00 0.23 H new ATOM 0 HB2 PHE A 77 -0.597 4.218 -5.383 1.00 0.24 H new ATOM 0 HB3 PHE A 77 -1.458 3.063 -4.386 1.00 0.24 H new ATOM 0 HD1 PHE A 77 -0.761 3.094 -1.809 1.00 0.26 H new ATOM 0 HD2 PHE A 77 -0.167 6.364 -4.471 1.00 0.24 H new ATOM 0 HE1 PHE A 77 -0.648 4.633 0.101 1.00 0.26 H new ATOM 0 HE2 PHE A 77 -0.051 7.898 -2.557 1.00 0.24 H new ATOM 0 HZ PHE A 77 -0.287 7.033 -0.272 1.00 0.24 H new ATOM 1182 N GLN A 78 0.274 0.407 -4.678 1.00 0.27 N ATOM 1183 CA GLN A 78 0.025 -0.854 -5.453 1.00 0.31 C ATOM 1184 C GLN A 78 -1.341 -1.443 -5.088 1.00 0.23 C ATOM 1185 O GLN A 78 -1.816 -1.274 -3.985 1.00 0.18 O ATOM 1186 CB GLN A 78 1.119 -1.862 -5.117 1.00 0.39 C ATOM 1187 CG GLN A 78 1.934 -2.187 -6.377 1.00 0.75 C ATOM 1188 CD GLN A 78 2.738 -0.952 -6.796 1.00 0.86 C ATOM 1189 OE1 GLN A 78 2.223 0.146 -6.867 1.00 2.32 O ATOM 1190 NE2 GLN A 78 4.004 -1.090 -7.079 1.00 0.63 N ATOM 0 H GLN A 78 0.306 0.296 -3.665 1.00 0.27 H new ATOM 0 HA GLN A 78 0.034 -0.629 -6.520 1.00 0.31 H new ATOM 0 HB2 GLN A 78 1.773 -1.458 -4.344 1.00 0.39 H new ATOM 0 HB3 GLN A 78 0.675 -2.773 -4.715 1.00 0.39 H new ATOM 0 HG2 GLN A 78 2.606 -3.023 -6.183 1.00 0.75 H new ATOM 0 HG3 GLN A 78 1.269 -2.493 -7.185 1.00 0.75 H new ATOM 0 HE21 GLN A 78 4.442 -2.009 -7.021 1.00 0.63 H new ATOM 0 HE22 GLN A 78 4.556 -0.279 -7.358 1.00 0.63 H new ATOM 1199 N PHE A 79 -1.936 -2.125 -6.036 1.00 0.23 N ATOM 1200 CA PHE A 79 -3.283 -2.735 -5.796 1.00 0.16 C ATOM 1201 C PHE A 79 -3.217 -4.259 -5.991 1.00 0.13 C ATOM 1202 O PHE A 79 -2.924 -4.721 -7.077 1.00 0.13 O ATOM 1203 CB PHE A 79 -4.273 -2.155 -6.815 1.00 0.14 C ATOM 1204 CG PHE A 79 -4.614 -0.698 -6.463 1.00 0.18 C ATOM 1205 CD1 PHE A 79 -3.638 0.289 -6.489 1.00 0.24 C ATOM 1206 CD2 PHE A 79 -5.908 -0.349 -6.118 1.00 0.16 C ATOM 1207 CE1 PHE A 79 -3.956 1.596 -6.170 1.00 0.27 C ATOM 1208 CE2 PHE A 79 -6.222 0.956 -5.801 1.00 0.20 C ATOM 1209 CZ PHE A 79 -5.248 1.928 -5.826 1.00 0.25 C ATOM 0 H PHE A 79 -1.548 -2.286 -6.966 1.00 0.23 H new ATOM 0 HA PHE A 79 -3.601 -2.514 -4.777 1.00 0.16 H new ATOM 0 HB2 PHE A 79 -3.844 -2.203 -7.816 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -5.183 -2.755 -6.829 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -2.624 0.034 -6.760 1.00 0.24 H new ATOM 0 HD2 PHE A 79 -6.679 -1.105 -6.097 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.191 2.358 -6.190 1.00 0.27 H new ATOM 0 HE2 PHE A 79 -7.235 1.216 -5.532 1.00 0.20 H new ATOM 0 HZ PHE A 79 -5.496 2.949 -5.576 1.00 0.25 H new ATOM 1219 N PHE A 80 -3.487 -5.009 -4.938 1.00 0.17 N ATOM 1220 CA PHE A 80 -3.454 -6.507 -5.075 1.00 0.16 C ATOM 1221 C PHE A 80 -4.818 -7.102 -4.722 1.00 0.14 C ATOM 1222 O PHE A 80 -5.578 -6.527 -3.963 1.00 0.08 O ATOM 1223 CB PHE A 80 -2.398 -7.084 -4.135 1.00 0.26 C ATOM 1224 CG PHE A 80 -1.006 -6.736 -4.658 1.00 0.28 C ATOM 1225 CD1 PHE A 80 -0.498 -7.355 -5.787 1.00 0.33 C ATOM 1226 CD2 PHE A 80 -0.236 -5.797 -4.007 1.00 0.40 C ATOM 1227 CE1 PHE A 80 0.761 -7.034 -6.251 1.00 0.37 C ATOM 1228 CE2 PHE A 80 1.022 -5.477 -4.471 1.00 0.40 C ATOM 1229 CZ PHE A 80 1.519 -6.095 -5.591 1.00 0.34 C ATOM 0 H PHE A 80 -3.724 -4.657 -4.010 1.00 0.17 H new ATOM 0 HA PHE A 80 -3.209 -6.759 -6.107 1.00 0.16 H new ATOM 0 HB2 PHE A 80 -2.532 -6.682 -3.130 1.00 0.26 H new ATOM 0 HB3 PHE A 80 -2.511 -8.166 -4.064 1.00 0.26 H new ATOM 0 HD1 PHE A 80 -1.090 -8.093 -6.307 1.00 0.33 H new ATOM 0 HD2 PHE A 80 -0.622 -5.307 -3.125 1.00 0.40 H new ATOM 0 HE1 PHE A 80 1.152 -7.520 -7.133 1.00 0.37 H new ATOM 0 HE2 PHE A 80 1.617 -4.739 -3.953 1.00 0.40 H new ATOM 0 HZ PHE A 80 2.505 -5.844 -5.954 1.00 0.34 H new ATOM 1239 N LYS A 81 -5.095 -8.245 -5.288 1.00 0.27 N ATOM 1240 CA LYS A 81 -6.396 -8.917 -5.005 1.00 0.30 C ATOM 1241 C LYS A 81 -6.176 -10.421 -4.846 1.00 0.42 C ATOM 1242 O LYS A 81 -5.717 -11.083 -5.755 1.00 0.47 O ATOM 1243 CB LYS A 81 -7.361 -8.655 -6.163 1.00 0.38 C ATOM 1244 CG LYS A 81 -8.671 -9.405 -5.911 1.00 0.75 C ATOM 1245 CD LYS A 81 -9.847 -8.457 -6.153 1.00 0.52 C ATOM 1246 CE LYS A 81 -11.157 -9.219 -5.946 1.00 1.36 C ATOM 1247 NZ LYS A 81 -11.404 -10.149 -7.084 1.00 1.99 N ATOM 0 H LYS A 81 -4.479 -8.742 -5.932 1.00 0.27 H new ATOM 0 HA LYS A 81 -6.818 -8.520 -4.082 1.00 0.30 H new ATOM 0 HB2 LYS A 81 -7.553 -7.586 -6.256 1.00 0.38 H new ATOM 0 HB3 LYS A 81 -6.916 -8.982 -7.103 1.00 0.38 H new ATOM 0 HG2 LYS A 81 -8.743 -10.269 -6.572 1.00 0.75 H new ATOM 0 HG3 LYS A 81 -8.697 -9.783 -4.889 1.00 0.75 H new ATOM 0 HD2 LYS A 81 -9.793 -7.610 -5.470 1.00 0.52 H new ATOM 0 HD3 LYS A 81 -9.803 -8.054 -7.165 1.00 0.52 H new ATOM 0 HE2 LYS A 81 -11.115 -9.780 -5.012 1.00 1.36 H new ATOM 0 HE3 LYS A 81 -11.984 -8.515 -5.858 1.00 1.36 H new ATOM 0 HZ1 LYS A 81 -12.385 -10.492 -7.045 1.00 1.99 H new ATOM 0 HZ2 LYS A 81 -11.247 -9.648 -7.982 1.00 1.99 H new ATOM 0 HZ3 LYS A 81 -10.752 -10.957 -7.020 1.00 1.99 H new ATOM 1261 N LYS A 82 -6.506 -10.929 -3.689 1.00 0.55 N ATOM 1262 CA LYS A 82 -6.314 -12.386 -3.450 1.00 0.72 C ATOM 1263 C LYS A 82 -4.873 -12.784 -3.785 1.00 0.53 C ATOM 1264 O LYS A 82 -4.544 -13.953 -3.837 1.00 0.59 O ATOM 1265 CB LYS A 82 -7.289 -13.170 -4.327 1.00 0.93 C ATOM 1266 CG LYS A 82 -7.091 -14.669 -4.084 1.00 1.81 C ATOM 1267 CD LYS A 82 -8.428 -15.395 -4.256 1.00 1.87 C ATOM 1268 CE LYS A 82 -8.945 -15.175 -5.681 1.00 1.18 C ATOM 1269 NZ LYS A 82 -10.115 -16.057 -5.952 1.00 0.88 N ATOM 0 H LYS A 82 -6.896 -10.403 -2.907 1.00 0.55 H new ATOM 0 HA LYS A 82 -6.505 -12.612 -2.401 1.00 0.72 H new ATOM 0 HB2 LYS A 82 -8.315 -12.884 -4.096 1.00 0.93 H new ATOM 0 HB3 LYS A 82 -7.122 -12.935 -5.378 1.00 0.93 H new ATOM 0 HG2 LYS A 82 -6.356 -15.068 -4.783 1.00 1.81 H new ATOM 0 HG3 LYS A 82 -6.700 -14.837 -3.080 1.00 1.81 H new ATOM 0 HD2 LYS A 82 -8.304 -16.460 -4.063 1.00 1.87 H new ATOM 0 HD3 LYS A 82 -9.153 -15.022 -3.532 1.00 1.87 H new ATOM 0 HE2 LYS A 82 -9.230 -14.131 -5.814 1.00 1.18 H new ATOM 0 HE3 LYS A 82 -8.151 -15.383 -6.399 1.00 1.18 H new ATOM 0 HZ1 LYS A 82 -10.454 -15.896 -6.922 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -9.832 -17.052 -5.845 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -10.877 -15.839 -5.279 1.00 0.88 H new ATOM 1283 N GLY A 83 -4.044 -11.794 -4.001 1.00 0.32 N ATOM 1284 CA GLY A 83 -2.615 -12.084 -4.327 1.00 0.23 C ATOM 1285 C GLY A 83 -2.364 -11.925 -5.828 1.00 0.22 C ATOM 1286 O GLY A 83 -1.571 -12.643 -6.406 1.00 0.64 O ATOM 0 H GLY A 83 -4.292 -10.805 -3.966 1.00 0.32 H new ATOM 0 HA2 GLY A 83 -1.965 -11.409 -3.770 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -2.364 -13.098 -4.016 1.00 0.23 H new ATOM 1290 N GLN A 84 -3.046 -10.987 -6.429 1.00 0.07 N ATOM 1291 CA GLN A 84 -2.858 -10.760 -7.893 1.00 0.22 C ATOM 1292 C GLN A 84 -2.877 -9.259 -8.199 1.00 0.18 C ATOM 1293 O GLN A 84 -3.788 -8.554 -7.811 1.00 0.10 O ATOM 1294 CB GLN A 84 -3.985 -11.460 -8.656 1.00 0.47 C ATOM 1295 CG GLN A 84 -4.080 -10.875 -10.067 1.00 1.58 C ATOM 1296 CD GLN A 84 -4.674 -11.921 -11.010 1.00 1.44 C ATOM 1297 OE1 GLN A 84 -5.779 -12.388 -10.821 1.00 1.73 O ATOM 1298 NE2 GLN A 84 -3.974 -12.314 -12.038 1.00 1.91 N ATOM 0 H GLN A 84 -3.721 -10.372 -5.974 1.00 0.07 H new ATOM 0 HA GLN A 84 -1.896 -11.167 -8.203 1.00 0.22 H new ATOM 0 HB2 GLN A 84 -3.794 -12.532 -8.706 1.00 0.47 H new ATOM 0 HB3 GLN A 84 -4.931 -11.329 -8.131 1.00 0.47 H new ATOM 0 HG2 GLN A 84 -4.702 -9.980 -10.061 1.00 1.58 H new ATOM 0 HG3 GLN A 84 -3.092 -10.574 -10.415 1.00 1.58 H new ATOM 0 HE21 GLN A 84 -3.045 -11.925 -12.201 1.00 1.91 H new ATOM 0 HE22 GLN A 84 -4.355 -13.010 -12.678 1.00 1.91 H new ATOM 1307 N LYS A 85 -1.869 -8.807 -8.892 1.00 0.29 N ATOM 1308 CA LYS A 85 -1.798 -7.358 -9.230 1.00 0.31 C ATOM 1309 C LYS A 85 -2.927 -6.975 -10.193 1.00 0.27 C ATOM 1310 O LYS A 85 -3.149 -7.639 -11.186 1.00 0.36 O ATOM 1311 CB LYS A 85 -0.445 -7.075 -9.888 1.00 0.53 C ATOM 1312 CG LYS A 85 -0.198 -5.565 -9.937 1.00 0.57 C ATOM 1313 CD LYS A 85 1.280 -5.313 -10.248 1.00 0.85 C ATOM 1314 CE LYS A 85 1.610 -5.884 -11.630 1.00 1.05 C ATOM 1315 NZ LYS A 85 2.842 -5.247 -12.175 1.00 1.21 N ATOM 0 H LYS A 85 -1.095 -9.375 -9.237 1.00 0.29 H new ATOM 0 HA LYS A 85 -1.907 -6.769 -8.319 1.00 0.31 H new ATOM 0 HB2 LYS A 85 0.352 -7.565 -9.328 1.00 0.53 H new ATOM 0 HB3 LYS A 85 -0.427 -7.489 -10.896 1.00 0.53 H new ATOM 0 HG2 LYS A 85 -0.827 -5.105 -10.699 1.00 0.57 H new ATOM 0 HG3 LYS A 85 -0.466 -5.108 -8.984 1.00 0.57 H new ATOM 0 HD2 LYS A 85 1.492 -4.244 -10.223 1.00 0.85 H new ATOM 0 HD3 LYS A 85 1.908 -5.780 -9.489 1.00 0.85 H new ATOM 0 HE2 LYS A 85 1.751 -6.963 -11.561 1.00 1.05 H new ATOM 0 HE3 LYS A 85 0.775 -5.715 -12.309 1.00 1.05 H new ATOM 0 HZ1 LYS A 85 3.053 -5.645 -13.113 1.00 1.21 H new ATOM 0 HZ2 LYS A 85 2.694 -4.221 -12.259 1.00 1.21 H new ATOM 0 HZ3 LYS A 85 3.640 -5.430 -11.534 1.00 1.21 H new ATOM 1329 N VAL A 86 -3.614 -5.908 -9.871 1.00 0.18 N ATOM 1330 CA VAL A 86 -4.734 -5.448 -10.752 1.00 0.25 C ATOM 1331 C VAL A 86 -4.617 -3.941 -11.019 1.00 0.28 C ATOM 1332 O VAL A 86 -5.201 -3.429 -11.953 1.00 0.46 O ATOM 1333 CB VAL A 86 -6.068 -5.739 -10.063 1.00 0.27 C ATOM 1334 CG1 VAL A 86 -6.347 -7.241 -10.122 1.00 0.33 C ATOM 1335 CG2 VAL A 86 -5.988 -5.299 -8.600 1.00 0.20 C ATOM 0 H VAL A 86 -3.450 -5.337 -9.041 1.00 0.18 H new ATOM 0 HA VAL A 86 -4.681 -5.980 -11.702 1.00 0.25 H new ATOM 0 HB VAL A 86 -6.867 -5.195 -10.566 1.00 0.27 H new ATOM 0 HG11 VAL A 86 -7.297 -7.454 -9.632 1.00 0.33 H new ATOM 0 HG12 VAL A 86 -6.395 -7.561 -11.163 1.00 0.33 H new ATOM 0 HG13 VAL A 86 -5.548 -7.780 -9.613 1.00 0.33 H new ATOM 0 HG21 VAL A 86 -6.937 -5.505 -8.106 1.00 0.20 H new ATOM 0 HG22 VAL A 86 -5.191 -5.848 -8.098 1.00 0.20 H new ATOM 0 HG23 VAL A 86 -5.778 -4.230 -8.552 1.00 0.20 H new ATOM 1345 N GLY A 87 -3.863 -3.262 -10.194 1.00 0.14 N ATOM 1346 CA GLY A 87 -3.702 -1.793 -10.394 1.00 0.17 C ATOM 1347 C GLY A 87 -2.389 -1.308 -9.779 1.00 0.17 C ATOM 1348 O GLY A 87 -1.799 -1.979 -8.956 1.00 0.29 O ATOM 0 H GLY A 87 -3.358 -3.656 -9.400 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.719 -1.561 -11.459 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.540 -1.264 -9.940 1.00 0.17 H new ATOM 1352 N GLU A 88 -1.957 -0.150 -10.193 1.00 0.26 N ATOM 1353 CA GLU A 88 -0.689 0.398 -9.634 1.00 0.22 C ATOM 1354 C GLU A 88 -0.377 1.763 -10.255 1.00 0.18 C ATOM 1355 O GLU A 88 -0.284 1.898 -11.459 1.00 0.20 O ATOM 1356 CB GLU A 88 0.451 -0.576 -9.941 1.00 0.26 C ATOM 1357 CG GLU A 88 1.784 0.178 -9.907 1.00 1.20 C ATOM 1358 CD GLU A 88 2.924 -0.821 -9.705 1.00 1.72 C ATOM 1359 OE1 GLU A 88 2.645 -1.999 -9.857 1.00 1.64 O ATOM 1360 OE2 GLU A 88 4.010 -0.350 -9.410 1.00 2.70 O ATOM 0 H GLU A 88 -2.421 0.436 -10.887 1.00 0.26 H new ATOM 0 HA GLU A 88 -0.796 0.522 -8.556 1.00 0.22 H new ATOM 0 HB2 GLU A 88 0.459 -1.386 -9.211 1.00 0.26 H new ATOM 0 HB3 GLU A 88 0.302 -1.031 -10.920 1.00 0.26 H new ATOM 0 HG2 GLU A 88 1.928 0.728 -10.837 1.00 1.20 H new ATOM 0 HG3 GLU A 88 1.780 0.911 -9.100 1.00 1.20 H new ATOM 1367 N PHE A 89 -0.225 2.746 -9.413 1.00 0.12 N ATOM 1368 CA PHE A 89 0.092 4.105 -9.916 1.00 0.10 C ATOM 1369 C PHE A 89 1.000 4.835 -8.916 1.00 0.15 C ATOM 1370 O PHE A 89 0.784 4.775 -7.718 1.00 0.24 O ATOM 1371 CB PHE A 89 -1.216 4.858 -10.098 1.00 0.13 C ATOM 1372 CG PHE A 89 -1.619 5.537 -8.790 1.00 0.20 C ATOM 1373 CD1 PHE A 89 -1.081 6.761 -8.436 1.00 0.21 C ATOM 1374 CD2 PHE A 89 -2.532 4.935 -7.944 1.00 0.29 C ATOM 1375 CE1 PHE A 89 -1.451 7.370 -7.255 1.00 0.31 C ATOM 1376 CE2 PHE A 89 -2.902 5.545 -6.765 1.00 0.37 C ATOM 1377 CZ PHE A 89 -2.362 6.762 -6.422 1.00 0.39 C ATOM 0 H PHE A 89 -0.307 2.664 -8.400 1.00 0.12 H new ATOM 0 HA PHE A 89 0.620 4.045 -10.868 1.00 0.10 H new ATOM 0 HB2 PHE A 89 -1.108 5.604 -10.886 1.00 0.13 H new ATOM 0 HB3 PHE A 89 -1.999 4.170 -10.416 1.00 0.13 H new ATOM 0 HD1 PHE A 89 -0.367 7.243 -9.088 1.00 0.21 H new ATOM 0 HD2 PHE A 89 -2.959 3.979 -8.209 1.00 0.29 H new ATOM 0 HE1 PHE A 89 -1.025 8.325 -6.984 1.00 0.31 H new ATOM 0 HE2 PHE A 89 -3.616 5.067 -6.111 1.00 0.37 H new ATOM 0 HZ PHE A 89 -2.653 7.241 -5.499 1.00 0.39 H new ATOM 1387 N SER A 90 2.002 5.504 -9.429 1.00 0.20 N ATOM 1388 CA SER A 90 2.946 6.229 -8.524 1.00 0.31 C ATOM 1389 C SER A 90 2.626 7.723 -8.483 1.00 0.19 C ATOM 1390 O SER A 90 2.057 8.265 -9.411 1.00 0.21 O ATOM 1391 CB SER A 90 4.372 6.028 -9.031 1.00 0.46 C ATOM 1392 OG SER A 90 4.502 6.971 -10.085 1.00 0.38 O ATOM 0 H SER A 90 2.206 5.580 -10.425 1.00 0.20 H new ATOM 0 HA SER A 90 2.843 5.829 -7.515 1.00 0.31 H new ATOM 0 HB2 SER A 90 5.104 6.207 -8.243 1.00 0.46 H new ATOM 0 HB3 SER A 90 4.529 5.009 -9.386 1.00 0.46 H new ATOM 0 HG SER A 90 5.401 6.909 -10.470 1.00 0.38 H new ATOM 1398 N GLY A 91 3.008 8.357 -7.399 1.00 0.21 N ATOM 1399 CA GLY A 91 2.743 9.822 -7.265 1.00 0.30 C ATOM 1400 C GLY A 91 2.163 10.134 -5.885 1.00 0.43 C ATOM 1401 O GLY A 91 1.304 9.429 -5.395 1.00 0.46 O ATOM 0 H GLY A 91 3.488 7.926 -6.609 1.00 0.21 H new ATOM 0 HA2 GLY A 91 3.667 10.380 -7.413 1.00 0.30 H new ATOM 0 HA3 GLY A 91 2.048 10.145 -8.040 1.00 0.30 H new ATOM 1405 N ALA A 92 2.646 11.189 -5.285 1.00 0.51 N ATOM 1406 CA ALA A 92 2.132 11.563 -3.934 1.00 0.67 C ATOM 1407 C ALA A 92 0.749 12.208 -4.056 1.00 0.62 C ATOM 1408 O ALA A 92 0.432 13.142 -3.345 1.00 1.15 O ATOM 1409 CB ALA A 92 3.101 12.549 -3.287 1.00 0.89 C ATOM 0 H ALA A 92 3.366 11.803 -5.666 1.00 0.51 H new ATOM 0 HA ALA A 92 2.049 10.667 -3.319 1.00 0.67 H new ATOM 0 HB1 ALA A 92 2.732 12.827 -2.300 1.00 0.89 H new ATOM 0 HB2 ALA A 92 4.082 12.084 -3.190 1.00 0.89 H new ATOM 0 HB3 ALA A 92 3.182 13.441 -3.908 1.00 0.89 H new ATOM 1415 N ASN A 93 -0.046 11.695 -4.955 1.00 0.18 N ATOM 1416 CA ASN A 93 -1.411 12.268 -5.136 1.00 0.19 C ATOM 1417 C ASN A 93 -2.400 11.592 -4.180 1.00 0.19 C ATOM 1418 O ASN A 93 -2.412 10.384 -4.048 1.00 0.21 O ATOM 1419 CB ASN A 93 -1.862 12.040 -6.578 1.00 0.17 C ATOM 1420 CG ASN A 93 -3.035 12.969 -6.891 1.00 0.17 C ATOM 1421 OD1 ASN A 93 -3.460 13.090 -8.023 1.00 0.38 O ATOM 1422 ND2 ASN A 93 -3.584 13.645 -5.919 1.00 0.56 N ATOM 0 H ASN A 93 0.186 10.912 -5.566 1.00 0.18 H new ATOM 0 HA ASN A 93 -1.383 13.336 -4.918 1.00 0.19 H new ATOM 0 HB2 ASN A 93 -1.037 12.232 -7.264 1.00 0.17 H new ATOM 0 HB3 ASN A 93 -2.158 11.001 -6.719 1.00 0.17 H new ATOM 0 HD21 ASN A 93 -4.366 14.271 -6.111 1.00 0.56 H new ATOM 0 HD22 ASN A 93 -3.231 13.547 -4.967 1.00 0.56 H new ATOM 1429 N LYS A 94 -3.209 12.390 -3.535 1.00 0.30 N ATOM 1430 CA LYS A 94 -4.205 11.813 -2.583 1.00 0.39 C ATOM 1431 C LYS A 94 -5.575 11.695 -3.259 1.00 0.35 C ATOM 1432 O LYS A 94 -6.179 10.642 -3.262 1.00 0.33 O ATOM 1433 CB LYS A 94 -4.320 12.727 -1.363 1.00 0.61 C ATOM 1434 CG LYS A 94 -2.936 12.877 -0.714 1.00 0.62 C ATOM 1435 CD LYS A 94 -2.239 14.134 -1.255 1.00 0.80 C ATOM 1436 CE LYS A 94 -2.587 15.327 -0.360 1.00 0.47 C ATOM 1437 NZ LYS A 94 -4.040 15.328 -0.029 1.00 1.22 N ATOM 0 H LYS A 94 -3.225 13.406 -3.624 1.00 0.30 H new ATOM 0 HA LYS A 94 -3.874 10.821 -2.276 1.00 0.39 H new ATOM 0 HB2 LYS A 94 -4.704 13.703 -1.660 1.00 0.61 H new ATOM 0 HB3 LYS A 94 -5.028 12.310 -0.647 1.00 0.61 H new ATOM 0 HG2 LYS A 94 -3.038 12.945 0.369 1.00 0.62 H new ATOM 0 HG3 LYS A 94 -2.329 11.996 -0.923 1.00 0.62 H new ATOM 0 HD2 LYS A 94 -1.160 13.984 -1.278 1.00 0.80 H new ATOM 0 HD3 LYS A 94 -2.556 14.328 -2.280 1.00 0.80 H new ATOM 0 HE2 LYS A 94 -2.000 15.284 0.557 1.00 0.47 H new ATOM 0 HE3 LYS A 94 -2.323 16.256 -0.865 1.00 0.47 H new ATOM 0 HZ1 LYS A 94 -4.334 16.288 0.242 1.00 1.22 H new ATOM 0 HZ2 LYS A 94 -4.585 15.020 -0.859 1.00 1.22 H new ATOM 0 HZ3 LYS A 94 -4.216 14.676 0.762 1.00 1.22 H new ATOM 1451 N GLU A 95 -6.035 12.782 -3.815 1.00 0.38 N ATOM 1452 CA GLU A 95 -7.359 12.752 -4.491 1.00 0.45 C ATOM 1453 C GLU A 95 -7.415 11.595 -5.488 1.00 0.43 C ATOM 1454 O GLU A 95 -8.474 11.224 -5.954 1.00 0.53 O ATOM 1455 CB GLU A 95 -7.576 14.072 -5.226 1.00 0.55 C ATOM 1456 CG GLU A 95 -8.039 15.133 -4.226 1.00 0.41 C ATOM 1457 CD GLU A 95 -9.565 15.102 -4.127 1.00 1.17 C ATOM 1458 OE1 GLU A 95 -10.066 14.031 -3.828 1.00 2.27 O ATOM 1459 OE2 GLU A 95 -10.143 16.152 -4.355 1.00 1.38 O ATOM 0 H GLU A 95 -5.555 13.682 -3.830 1.00 0.38 H new ATOM 0 HA GLU A 95 -8.141 12.611 -3.745 1.00 0.45 H new ATOM 0 HB2 GLU A 95 -6.652 14.389 -5.710 1.00 0.55 H new ATOM 0 HB3 GLU A 95 -8.320 13.946 -6.012 1.00 0.55 H new ATOM 0 HG2 GLU A 95 -7.596 14.946 -3.248 1.00 0.41 H new ATOM 0 HG3 GLU A 95 -7.704 16.120 -4.544 1.00 0.41 H new ATOM 1466 N LYS A 96 -6.273 11.047 -5.793 1.00 0.35 N ATOM 1467 CA LYS A 96 -6.243 9.910 -6.758 1.00 0.43 C ATOM 1468 C LYS A 96 -6.591 8.604 -6.037 1.00 0.37 C ATOM 1469 O LYS A 96 -7.420 7.848 -6.492 1.00 0.36 O ATOM 1470 CB LYS A 96 -4.845 9.801 -7.367 1.00 0.48 C ATOM 1471 CG LYS A 96 -4.852 8.721 -8.453 1.00 0.59 C ATOM 1472 CD LYS A 96 -4.432 9.346 -9.786 1.00 0.63 C ATOM 1473 CE LYS A 96 -2.984 9.827 -9.682 1.00 1.94 C ATOM 1474 NZ LYS A 96 -2.138 9.159 -10.711 1.00 2.46 N ATOM 0 H LYS A 96 -5.367 11.332 -5.421 1.00 0.35 H new ATOM 0 HA LYS A 96 -6.974 10.087 -7.547 1.00 0.43 H new ATOM 0 HB2 LYS A 96 -4.545 10.759 -7.792 1.00 0.48 H new ATOM 0 HB3 LYS A 96 -4.117 9.552 -6.595 1.00 0.48 H new ATOM 0 HG2 LYS A 96 -4.170 7.914 -8.185 1.00 0.59 H new ATOM 0 HG3 LYS A 96 -5.846 8.282 -8.540 1.00 0.59 H new ATOM 0 HD2 LYS A 96 -4.528 8.616 -10.590 1.00 0.63 H new ATOM 0 HD3 LYS A 96 -5.088 10.181 -10.033 1.00 0.63 H new ATOM 0 HE2 LYS A 96 -2.943 10.908 -9.815 1.00 1.94 H new ATOM 0 HE3 LYS A 96 -2.594 9.613 -8.687 1.00 1.94 H new ATOM 0 HZ1 LYS A 96 -1.341 9.779 -10.961 1.00 2.46 H new ATOM 0 HZ2 LYS A 96 -1.773 8.262 -10.332 1.00 2.46 H new ATOM 0 HZ3 LYS A 96 -2.709 8.969 -11.560 1.00 2.46 H new ATOM 1488 N LEU A 97 -5.945 8.372 -4.927 1.00 0.34 N ATOM 1489 CA LEU A 97 -6.223 7.120 -4.152 1.00 0.31 C ATOM 1490 C LEU A 97 -7.731 6.857 -4.091 1.00 0.31 C ATOM 1491 O LEU A 97 -8.211 5.873 -4.608 1.00 0.36 O ATOM 1492 CB LEU A 97 -5.692 7.294 -2.728 1.00 0.31 C ATOM 1493 CG LEU A 97 -4.160 7.182 -2.734 1.00 0.31 C ATOM 1494 CD1 LEU A 97 -3.619 7.667 -1.387 1.00 0.29 C ATOM 1495 CD2 LEU A 97 -3.735 5.718 -2.947 1.00 0.28 C ATOM 0 H LEU A 97 -5.240 8.988 -4.522 1.00 0.34 H new ATOM 0 HA LEU A 97 -5.734 6.278 -4.643 1.00 0.31 H new ATOM 0 HB2 LEU A 97 -5.995 8.263 -2.332 1.00 0.31 H new ATOM 0 HB3 LEU A 97 -6.120 6.534 -2.074 1.00 0.31 H new ATOM 0 HG LEU A 97 -3.760 7.792 -3.544 1.00 0.31 H new ATOM 0 HD11 LEU A 97 -2.532 7.591 -1.383 1.00 0.29 H new ATOM 0 HD12 LEU A 97 -3.911 8.706 -1.230 1.00 0.29 H new ATOM 0 HD13 LEU A 97 -4.029 7.051 -0.587 1.00 0.29 H new ATOM 0 HD21 LEU A 97 -2.647 5.652 -2.949 1.00 0.28 H new ATOM 0 HD22 LEU A 97 -4.134 5.102 -2.141 1.00 0.28 H new ATOM 0 HD23 LEU A 97 -4.122 5.362 -3.902 1.00 0.28 H new ATOM 1507 N GLU A 98 -8.441 7.752 -3.453 1.00 0.29 N ATOM 1508 CA GLU A 98 -9.924 7.582 -3.329 1.00 0.28 C ATOM 1509 C GLU A 98 -10.529 7.061 -4.633 1.00 0.32 C ATOM 1510 O GLU A 98 -10.956 5.926 -4.717 1.00 0.32 O ATOM 1511 CB GLU A 98 -10.548 8.936 -2.984 1.00 0.28 C ATOM 1512 CG GLU A 98 -12.066 8.780 -2.869 1.00 0.30 C ATOM 1513 CD GLU A 98 -12.737 9.461 -4.064 1.00 1.87 C ATOM 1514 OE1 GLU A 98 -12.668 10.678 -4.101 1.00 2.33 O ATOM 1515 OE2 GLU A 98 -13.278 8.725 -4.872 1.00 2.98 O ATOM 0 H GLU A 98 -8.062 8.591 -3.013 1.00 0.29 H new ATOM 0 HA GLU A 98 -10.130 6.855 -2.544 1.00 0.28 H new ATOM 0 HB2 GLU A 98 -10.137 9.310 -2.046 1.00 0.28 H new ATOM 0 HB3 GLU A 98 -10.304 9.668 -3.753 1.00 0.28 H new ATOM 0 HG2 GLU A 98 -12.333 7.724 -2.841 1.00 0.30 H new ATOM 0 HG3 GLU A 98 -12.419 9.223 -1.938 1.00 0.30 H new ATOM 1522 N ALA A 99 -10.551 7.900 -5.616 1.00 0.35 N ATOM 1523 CA ALA A 99 -11.132 7.487 -6.930 1.00 0.39 C ATOM 1524 C ALA A 99 -10.526 6.159 -7.401 1.00 0.38 C ATOM 1525 O ALA A 99 -11.209 5.335 -7.974 1.00 0.43 O ATOM 1526 CB ALA A 99 -10.850 8.575 -7.966 1.00 0.44 C ATOM 0 H ALA A 99 -10.195 8.855 -5.577 1.00 0.35 H new ATOM 0 HA ALA A 99 -12.207 7.351 -6.812 1.00 0.39 H new ATOM 0 HB1 ALA A 99 -11.271 8.280 -8.927 1.00 0.44 H new ATOM 0 HB2 ALA A 99 -11.304 9.512 -7.643 1.00 0.44 H new ATOM 0 HB3 ALA A 99 -9.773 8.710 -8.068 1.00 0.44 H new ATOM 1532 N THR A 100 -9.258 5.979 -7.154 1.00 0.35 N ATOM 1533 CA THR A 100 -8.608 4.709 -7.588 1.00 0.33 C ATOM 1534 C THR A 100 -9.260 3.519 -6.878 1.00 0.29 C ATOM 1535 O THR A 100 -9.591 2.532 -7.501 1.00 0.25 O ATOM 1536 CB THR A 100 -7.116 4.759 -7.257 1.00 0.34 C ATOM 1537 OG1 THR A 100 -6.673 6.009 -7.774 1.00 0.38 O ATOM 1538 CG2 THR A 100 -6.339 3.703 -8.039 1.00 0.34 C ATOM 0 H THR A 100 -8.650 6.645 -6.677 1.00 0.35 H new ATOM 0 HA THR A 100 -8.734 4.590 -8.664 1.00 0.33 H new ATOM 0 HB THR A 100 -6.964 4.609 -6.188 1.00 0.34 H new ATOM 0 HG1 THR A 100 -7.011 6.735 -7.209 1.00 0.38 H new ATOM 0 HG21 THR A 100 -5.282 3.764 -7.782 1.00 0.34 H new ATOM 0 HG22 THR A 100 -6.717 2.712 -7.787 1.00 0.34 H new ATOM 0 HG23 THR A 100 -6.463 3.877 -9.108 1.00 0.34 H new ATOM 1546 N ILE A 101 -9.421 3.626 -5.586 1.00 0.30 N ATOM 1547 CA ILE A 101 -10.075 2.510 -4.851 1.00 0.25 C ATOM 1548 C ILE A 101 -11.467 2.317 -5.425 1.00 0.25 C ATOM 1549 O ILE A 101 -11.950 1.211 -5.550 1.00 0.20 O ATOM 1550 CB ILE A 101 -10.164 2.856 -3.350 1.00 0.28 C ATOM 1551 CG1 ILE A 101 -8.886 2.386 -2.630 1.00 0.34 C ATOM 1552 CG2 ILE A 101 -11.381 2.150 -2.733 1.00 0.17 C ATOM 1553 CD1 ILE A 101 -7.695 3.216 -3.119 1.00 1.56 C ATOM 0 H ILE A 101 -9.133 4.423 -5.018 1.00 0.30 H new ATOM 0 HA ILE A 101 -9.496 1.593 -4.960 1.00 0.25 H new ATOM 0 HB ILE A 101 -10.268 3.935 -3.237 1.00 0.28 H new ATOM 0 HG12 ILE A 101 -9.001 2.495 -1.552 1.00 0.34 H new ATOM 0 HG13 ILE A 101 -8.712 1.328 -2.827 1.00 0.34 H new ATOM 0 HG21 ILE A 101 -11.444 2.394 -1.673 1.00 0.17 H new ATOM 0 HG22 ILE A 101 -12.289 2.483 -3.237 1.00 0.17 H new ATOM 0 HG23 ILE A 101 -11.275 1.072 -2.851 1.00 0.17 H new ATOM 0 HD11 ILE A 101 -6.789 2.886 -2.611 1.00 1.56 H new ATOM 0 HD12 ILE A 101 -7.577 3.084 -4.195 1.00 1.56 H new ATOM 0 HD13 ILE A 101 -7.871 4.269 -2.899 1.00 1.56 H new ATOM 1565 N ASN A 102 -12.077 3.411 -5.767 1.00 0.35 N ATOM 1566 CA ASN A 102 -13.435 3.338 -6.361 1.00 0.40 C ATOM 1567 C ASN A 102 -13.347 2.635 -7.711 1.00 0.39 C ATOM 1568 O ASN A 102 -14.344 2.250 -8.288 1.00 0.44 O ATOM 1569 CB ASN A 102 -13.964 4.758 -6.556 1.00 0.50 C ATOM 1570 CG ASN A 102 -15.491 4.747 -6.497 1.00 0.40 C ATOM 1571 OD1 ASN A 102 -16.119 3.708 -6.537 1.00 0.40 O ATOM 1572 ND2 ASN A 102 -16.126 5.882 -6.401 1.00 0.73 N ATOM 0 H ASN A 102 -11.696 4.351 -5.662 1.00 0.35 H new ATOM 0 HA ASN A 102 -14.106 2.784 -5.705 1.00 0.40 H new ATOM 0 HB2 ASN A 102 -13.565 5.415 -5.784 1.00 0.50 H new ATOM 0 HB3 ASN A 102 -13.630 5.153 -7.515 1.00 0.50 H new ATOM 0 HD21 ASN A 102 -17.145 5.894 -6.360 1.00 0.73 H new ATOM 0 HD22 ASN A 102 -15.604 6.757 -6.367 1.00 0.73 H new ATOM 1579 N GLU A 103 -12.140 2.486 -8.183 1.00 0.34 N ATOM 1580 CA GLU A 103 -11.937 1.814 -9.494 1.00 0.33 C ATOM 1581 C GLU A 103 -12.140 0.299 -9.359 1.00 0.26 C ATOM 1582 O GLU A 103 -12.816 -0.307 -10.166 1.00 0.34 O ATOM 1583 CB GLU A 103 -10.514 2.095 -9.982 1.00 0.31 C ATOM 1584 CG GLU A 103 -10.475 1.970 -11.507 1.00 0.34 C ATOM 1585 CD GLU A 103 -10.842 3.317 -12.135 1.00 0.87 C ATOM 1586 OE1 GLU A 103 -12.019 3.633 -12.089 1.00 1.83 O ATOM 1587 OE2 GLU A 103 -9.924 3.953 -12.626 1.00 1.19 O ATOM 0 H GLU A 103 -11.288 2.800 -7.718 1.00 0.34 H new ATOM 0 HA GLU A 103 -12.663 2.201 -10.209 1.00 0.33 H new ATOM 0 HB2 GLU A 103 -10.203 3.094 -9.678 1.00 0.31 H new ATOM 0 HB3 GLU A 103 -9.815 1.392 -9.529 1.00 0.31 H new ATOM 0 HG2 GLU A 103 -9.481 1.663 -11.833 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -11.171 1.200 -11.838 1.00 0.34 H new ATOM 1594 N LEU A 104 -11.551 -0.281 -8.337 1.00 0.16 N ATOM 1595 CA LEU A 104 -11.693 -1.763 -8.156 1.00 0.21 C ATOM 1596 C LEU A 104 -12.715 -2.097 -7.059 1.00 0.31 C ATOM 1597 O LEU A 104 -13.065 -3.245 -6.873 1.00 0.52 O ATOM 1598 CB LEU A 104 -10.337 -2.357 -7.768 1.00 0.18 C ATOM 1599 CG LEU A 104 -9.230 -1.716 -8.610 1.00 0.09 C ATOM 1600 CD1 LEU A 104 -7.905 -2.425 -8.311 1.00 0.19 C ATOM 1601 CD2 LEU A 104 -9.564 -1.875 -10.098 1.00 0.12 C ATOM 0 H LEU A 104 -10.989 0.197 -7.633 1.00 0.16 H new ATOM 0 HA LEU A 104 -12.043 -2.188 -9.097 1.00 0.21 H new ATOM 0 HB2 LEU A 104 -10.145 -2.187 -6.709 1.00 0.18 H new ATOM 0 HB3 LEU A 104 -10.345 -3.436 -7.922 1.00 0.18 H new ATOM 0 HG LEU A 104 -9.148 -0.656 -8.367 1.00 0.09 H new ATOM 0 HD11 LEU A 104 -7.110 -1.976 -8.906 1.00 0.19 H new ATOM 0 HD12 LEU A 104 -7.668 -2.322 -7.252 1.00 0.19 H new ATOM 0 HD13 LEU A 104 -7.993 -3.482 -8.562 1.00 0.19 H new ATOM 0 HD21 LEU A 104 -8.777 -1.419 -10.698 1.00 0.12 H new ATOM 0 HD22 LEU A 104 -9.639 -2.934 -10.343 1.00 0.12 H new ATOM 0 HD23 LEU A 104 -10.514 -1.385 -10.312 1.00 0.12 H new ATOM 1613 N VAL A 105 -13.173 -1.096 -6.358 1.00 0.24 N ATOM 1614 CA VAL A 105 -14.168 -1.367 -5.269 1.00 0.31 C ATOM 1615 C VAL A 105 -15.251 -2.330 -5.766 1.00 0.48 C ATOM 1616 O VAL A 105 -15.555 -2.242 -6.944 1.00 1.41 O ATOM 1617 CB VAL A 105 -14.817 -0.051 -4.834 1.00 0.35 C ATOM 1618 CG1 VAL A 105 -15.782 0.425 -5.922 1.00 0.51 C ATOM 1619 CG2 VAL A 105 -15.595 -0.278 -3.535 1.00 0.39 C ATOM 1620 OXT VAL A 105 -15.713 -3.100 -4.938 1.00 0.78 O ATOM 0 H VAL A 105 -12.911 -0.118 -6.484 1.00 0.24 H new ATOM 0 HA VAL A 105 -13.652 -1.822 -4.423 1.00 0.31 H new ATOM 0 HB VAL A 105 -14.045 0.702 -4.675 1.00 0.35 H new ATOM 0 HG11 VAL A 105 -16.245 1.362 -5.613 1.00 0.51 H new ATOM 0 HG12 VAL A 105 -15.234 0.580 -6.852 1.00 0.51 H new ATOM 0 HG13 VAL A 105 -16.555 -0.328 -6.077 1.00 0.51 H new ATOM 0 HG21 VAL A 105 -16.059 0.657 -3.221 1.00 0.39 H new ATOM 0 HG22 VAL A 105 -16.367 -1.029 -3.700 1.00 0.39 H new ATOM 0 HG23 VAL A 105 -14.913 -0.623 -2.758 1.00 0.39 H new