USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1012 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 39 HIS : no HD1:sc= -4! C(o=-3.4!,f=-5.2!) USER MOD Set 1.2: A 120 CYS SG : rot -90:sc= -1.45 USER MOD Set 1.3: A 122 CYS SG : rot 128:sc= 1.26 USER MOD Set 1.4: A 127 CYS SG : rot -99:sc= 0.797 USER MOD Set 2.1: A 71 HIS : no HD1:sc= -2.47 K(o=-3.3,f=-4.2!) USER MOD Set 2.2: A 75 SER OG : rot 180:sc= -0.836 USER MOD Set 3.1: A 23 ASN :FLIP amide:sc= -1.52! C(o=-2.4!,f=-1.3!) USER MOD Set 3.2: A 67 THR OG1 : rot 122:sc= 0.181 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.0964 (180deg=-0.725) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.00606 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0419 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.332 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -3.47 F(o=-5!,f=-3.5) USER MOD Single : A 19 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-2.9!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 152:sc= 1.17 USER MOD Single : A 43 SER OG : rot 97:sc= 0.994 USER MOD Single : A 45 HIS : no HD1:sc= -0.872 K(o=-0.87,f=-1.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.7 USER MOD Single : A 48 SER OG : rot 160:sc= -1.06! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 106:sc= -1.57 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -1.03 F(o=-5.2!,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.125 (180deg=-0.482) USER MOD Single : A 72 SER OG : rot -78:sc= 0.0635! USER MOD Single : A 76 GLN :FLIP amide:sc= -1.83 F(o=-3.5!,f=-1.8) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 41:sc= -3.15! USER MOD Single : A 88 ASN : amide:sc= -4.81! C(o=-4.8!,f=-7.7!) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.354 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.548 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.389 X(o=0.39,f=-0.1) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 115 SER OG : rot -36:sc= 1.04 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.678 20.173 8.147 1.00 0.00 N ATOM 2 CA MET A 1 9.006 19.262 9.277 1.00 0.00 C ATOM 3 C MET A 1 8.396 17.879 9.068 1.00 0.00 C ATOM 4 O MET A 1 8.006 17.211 10.025 1.00 0.00 O ATOM 5 CB MET A 1 8.476 19.881 10.571 1.00 0.00 C ATOM 6 CG MET A 1 6.962 20.015 10.604 1.00 0.00 C ATOM 7 SD MET A 1 6.390 21.086 11.937 1.00 0.00 S ATOM 8 CE MET A 1 4.741 20.440 12.206 1.00 0.00 C ATOM 0 H1 MET A 1 8.798 21.160 8.451 1.00 0.00 H new ATOM 0 H2 MET A 1 9.314 19.977 7.348 1.00 0.00 H new ATOM 0 H3 MET A 1 7.693 20.019 7.852 1.00 0.00 H new ATOM 0 HA MET A 1 10.087 19.138 9.333 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.797 19.270 11.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.923 20.866 10.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.615 20.412 9.650 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.516 19.027 10.720 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.256 21.002 13.004 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.159 20.536 11.290 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.803 19.389 12.488 1.00 0.00 H new ATOM 18 N ALA A 2 8.318 17.454 7.810 1.00 0.00 N ATOM 19 CA ALA A 2 7.756 16.151 7.478 1.00 0.00 C ATOM 20 C ALA A 2 8.364 15.606 6.191 1.00 0.00 C ATOM 21 O ALA A 2 9.127 16.294 5.513 1.00 0.00 O ATOM 22 CB ALA A 2 6.243 16.246 7.352 1.00 0.00 C ATOM 0 H ALA A 2 8.637 17.993 7.005 1.00 0.00 H new ATOM 0 HA ALA A 2 7.998 15.460 8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.836 15.266 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.820 16.586 8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.987 16.955 6.564 1.00 0.00 H new ATOM 28 N MET A 3 8.021 14.362 5.861 1.00 0.00 N ATOM 29 CA MET A 3 8.529 13.711 4.654 1.00 0.00 C ATOM 30 C MET A 3 10.031 13.935 4.486 1.00 0.00 C ATOM 31 O MET A 3 10.520 14.113 3.370 1.00 0.00 O ATOM 32 CB MET A 3 7.780 14.219 3.418 1.00 0.00 C ATOM 33 CG MET A 3 8.034 15.684 3.105 1.00 0.00 C ATOM 34 SD MET A 3 7.337 16.187 1.520 1.00 0.00 S ATOM 35 CE MET A 3 8.696 15.808 0.417 1.00 0.00 C ATOM 0 H MET A 3 7.391 13.782 6.415 1.00 0.00 H new ATOM 0 HA MET A 3 8.359 12.640 4.760 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.070 13.618 2.556 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.711 14.069 3.566 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.608 16.300 3.897 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.108 15.870 3.100 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.418 16.065 -0.605 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.574 16.384 0.710 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.925 14.744 0.474 1.00 0.00 H new ATOM 45 N ALA A 4 10.755 13.923 5.600 1.00 0.00 N ATOM 46 CA ALA A 4 12.199 14.120 5.577 1.00 0.00 C ATOM 47 C ALA A 4 12.931 12.783 5.568 1.00 0.00 C ATOM 48 O ALA A 4 13.911 12.592 6.288 1.00 0.00 O ATOM 49 CB ALA A 4 12.638 14.957 6.770 1.00 0.00 C ATOM 0 H ALA A 4 10.364 13.779 6.531 1.00 0.00 H new ATOM 0 HA ALA A 4 12.455 14.653 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.719 15.096 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.146 15.929 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 4 12.364 14.447 7.693 1.00 0.00 H new ATOM 55 N ARG A 5 12.444 11.857 4.749 1.00 0.00 N ATOM 56 CA ARG A 5 13.044 10.531 4.645 1.00 0.00 C ATOM 57 C ARG A 5 12.537 9.804 3.402 1.00 0.00 C ATOM 58 O ARG A 5 11.804 10.373 2.594 1.00 0.00 O ATOM 59 CB ARG A 5 12.745 9.696 5.899 1.00 0.00 C ATOM 60 CG ARG A 5 11.480 10.111 6.642 1.00 0.00 C ATOM 61 CD ARG A 5 10.516 8.947 6.806 1.00 0.00 C ATOM 62 NE ARG A 5 9.124 9.390 6.834 1.00 0.00 N ATOM 63 CZ ARG A 5 8.598 10.122 7.813 1.00 0.00 C ATOM 64 NH1 ARG A 5 9.336 10.475 8.858 1.00 0.00 N ATOM 65 NH2 ARG A 5 7.327 10.496 7.751 1.00 0.00 N ATOM 0 H ARG A 5 11.634 12.000 4.146 1.00 0.00 H new ATOM 0 HA ARG A 5 14.123 10.659 4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.656 8.648 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.593 9.768 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.747 10.503 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.987 10.918 6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.656 8.242 5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.745 8.413 7.728 1.00 0.00 H new ATOM 0 HE ARG A 5 8.520 9.122 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.312 10.185 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.927 11.036 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.753 10.223 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.923 11.057 8.501 1.00 0.00 H new ATOM 79 N SER A 6 12.937 8.546 3.255 1.00 0.00 N ATOM 80 CA SER A 6 12.529 7.740 2.109 1.00 0.00 C ATOM 81 C SER A 6 11.008 7.682 1.989 1.00 0.00 C ATOM 82 O SER A 6 10.431 8.198 1.031 1.00 0.00 O ATOM 83 CB SER A 6 13.095 6.324 2.229 1.00 0.00 C ATOM 84 OG SER A 6 14.460 6.350 2.609 1.00 0.00 O ATOM 0 H SER A 6 13.544 8.061 3.916 1.00 0.00 H new ATOM 0 HA SER A 6 12.926 8.211 1.210 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.520 5.761 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.989 5.805 1.276 1.00 0.00 H new ATOM 0 HG SER A 6 14.797 5.433 2.680 1.00 0.00 H new ATOM 90 N ILE A 7 10.365 7.050 2.966 1.00 0.00 N ATOM 91 CA ILE A 7 8.912 6.922 2.966 1.00 0.00 C ATOM 92 C ILE A 7 8.242 8.208 3.432 1.00 0.00 C ATOM 93 O ILE A 7 8.737 8.890 4.329 1.00 0.00 O ATOM 94 CB ILE A 7 8.452 5.757 3.867 1.00 0.00 C ATOM 95 CG1 ILE A 7 8.878 5.994 5.318 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.020 4.441 3.355 1.00 0.00 C ATOM 97 CD1 ILE A 7 7.938 5.376 6.332 1.00 0.00 C ATOM 0 H ILE A 7 10.827 6.619 3.767 1.00 0.00 H new ATOM 0 HA ILE A 7 8.614 6.717 1.938 1.00 0.00 H new ATOM 0 HB ILE A 7 7.364 5.705 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.878 5.587 5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.941 7.067 5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.688 3.627 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.670 4.265 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.109 4.488 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.301 5.583 7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.942 5.801 6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.894 4.298 6.177 1.00 0.00 H new ATOM 109 N SER A 8 7.110 8.539 2.817 1.00 0.00 N ATOM 110 CA SER A 8 6.380 9.749 3.182 1.00 0.00 C ATOM 111 C SER A 8 4.876 9.557 3.027 1.00 0.00 C ATOM 112 O SER A 8 4.414 8.965 2.061 1.00 0.00 O ATOM 113 CB SER A 8 6.841 10.930 2.329 1.00 0.00 C ATOM 114 OG SER A 8 6.820 10.602 0.949 1.00 0.00 O ATOM 0 H SER A 8 6.681 7.992 2.070 1.00 0.00 H new ATOM 0 HA SER A 8 6.593 9.959 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.195 11.789 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.850 11.222 2.621 1.00 0.00 H new ATOM 0 HG SER A 8 7.117 11.375 0.425 1.00 0.00 H new ATOM 120 N TYR A 9 4.118 10.064 3.988 1.00 0.00 N ATOM 121 CA TYR A 9 2.659 9.943 3.957 1.00 0.00 C ATOM 122 C TYR A 9 2.024 11.073 3.160 1.00 0.00 C ATOM 123 O TYR A 9 2.590 12.158 3.035 1.00 0.00 O ATOM 124 CB TYR A 9 2.058 9.907 5.371 1.00 0.00 C ATOM 125 CG TYR A 9 2.856 10.661 6.411 1.00 0.00 C ATOM 126 CD1 TYR A 9 3.535 11.820 6.078 1.00 0.00 C ATOM 127 CD2 TYR A 9 2.927 10.210 7.722 1.00 0.00 C ATOM 128 CE1 TYR A 9 4.268 12.514 7.019 1.00 0.00 C ATOM 129 CE2 TYR A 9 3.657 10.897 8.672 1.00 0.00 C ATOM 130 CZ TYR A 9 4.327 12.049 8.316 1.00 0.00 C ATOM 131 OH TYR A 9 5.056 12.737 9.258 1.00 0.00 O ATOM 0 H TYR A 9 4.483 10.563 4.799 1.00 0.00 H new ATOM 0 HA TYR A 9 2.437 8.996 3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.050 10.321 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.965 8.868 5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.490 12.188 5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.403 9.308 8.003 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.793 13.416 6.741 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.703 10.534 9.688 1.00 0.00 H new ATOM 0 HH TYR A 9 4.993 12.277 10.121 1.00 0.00 H new ATOM 141 N ILE A 10 0.837 10.804 2.621 1.00 0.00 N ATOM 142 CA ILE A 10 0.116 11.793 1.829 1.00 0.00 C ATOM 143 C ILE A 10 -1.319 11.957 2.327 1.00 0.00 C ATOM 144 O ILE A 10 -1.949 10.995 2.765 1.00 0.00 O ATOM 145 CB ILE A 10 0.093 11.411 0.334 1.00 0.00 C ATOM 146 CG1 ILE A 10 -0.177 9.915 0.165 1.00 0.00 C ATOM 147 CG2 ILE A 10 1.408 11.793 -0.331 1.00 0.00 C ATOM 148 CD1 ILE A 10 -0.232 9.469 -1.281 1.00 0.00 C ATOM 0 H ILE A 10 0.356 9.910 2.719 1.00 0.00 H new ATOM 0 HA ILE A 10 0.647 12.738 1.944 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.713 11.962 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.602 9.353 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.122 9.668 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.376 11.517 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.562 12.868 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.229 11.267 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.427 8.397 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.030 10.004 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.721 9.684 -1.765 1.00 0.00 H new ATOM 160 N THR A 11 -1.823 13.185 2.261 1.00 0.00 N ATOM 161 CA THR A 11 -3.182 13.482 2.709 1.00 0.00 C ATOM 162 C THR A 11 -4.172 13.394 1.550 1.00 0.00 C ATOM 163 O THR A 11 -3.776 13.285 0.390 1.00 0.00 O ATOM 164 CB THR A 11 -3.237 14.878 3.336 1.00 0.00 C ATOM 165 OG1 THR A 11 -2.032 15.167 4.021 1.00 0.00 O ATOM 166 CG2 THR A 11 -4.376 15.052 4.318 1.00 0.00 C ATOM 0 H THR A 11 -1.312 13.992 1.902 1.00 0.00 H new ATOM 0 HA THR A 11 -3.462 12.740 3.457 1.00 0.00 H new ATOM 0 HB THR A 11 -3.392 15.562 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.086 16.063 4.413 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.355 16.063 4.724 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.325 14.885 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.269 14.333 5.130 1.00 0.00 H new ATOM 174 N SER A 12 -5.464 13.445 1.874 1.00 0.00 N ATOM 175 CA SER A 12 -6.514 13.372 0.861 1.00 0.00 C ATOM 176 C SER A 12 -6.277 14.397 -0.245 1.00 0.00 C ATOM 177 O SER A 12 -6.074 14.038 -1.404 1.00 0.00 O ATOM 178 CB SER A 12 -7.885 13.600 1.501 1.00 0.00 C ATOM 179 OG SER A 12 -8.039 14.948 1.914 1.00 0.00 O ATOM 0 H SER A 12 -5.807 13.537 2.830 1.00 0.00 H new ATOM 0 HA SER A 12 -6.489 12.376 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.669 13.343 0.789 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.004 12.938 2.359 1.00 0.00 H new ATOM 0 HG SER A 12 -8.924 15.067 2.318 1.00 0.00 H new ATOM 185 N THR A 13 -6.298 15.674 0.122 1.00 0.00 N ATOM 186 CA THR A 13 -6.078 16.750 -0.838 1.00 0.00 C ATOM 187 C THR A 13 -4.696 16.652 -1.452 1.00 0.00 C ATOM 188 O THR A 13 -4.517 16.946 -2.629 1.00 0.00 O ATOM 189 CB THR A 13 -6.259 18.118 -0.192 1.00 0.00 C ATOM 190 OG1 THR A 13 -5.445 18.243 0.961 1.00 0.00 O ATOM 191 CG2 THR A 13 -7.686 18.409 0.216 1.00 0.00 C ATOM 0 H THR A 13 -6.465 15.989 1.078 1.00 0.00 H new ATOM 0 HA THR A 13 -6.824 16.639 -1.625 1.00 0.00 H new ATOM 0 HB THR A 13 -5.968 18.836 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.575 19.129 1.359 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.740 19.399 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.330 18.376 -0.663 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.018 17.662 0.937 1.00 0.00 H new ATOM 199 N GLN A 14 -3.718 16.234 -0.656 1.00 0.00 N ATOM 200 CA GLN A 14 -2.355 16.105 -1.152 1.00 0.00 C ATOM 201 C GLN A 14 -2.347 15.181 -2.366 1.00 0.00 C ATOM 202 O GLN A 14 -1.437 15.230 -3.194 1.00 0.00 O ATOM 203 CB GLN A 14 -1.442 15.568 -0.037 1.00 0.00 C ATOM 204 CG GLN A 14 -0.419 14.531 -0.487 1.00 0.00 C ATOM 205 CD GLN A 14 0.618 15.102 -1.436 1.00 0.00 C ATOM 206 OE1 GLN A 14 0.919 14.361 -2.499 1.00 0.00 O flip ATOM 207 NE2 GLN A 14 1.143 16.194 -1.217 1.00 0.00 N flip ATOM 0 H GLN A 14 -3.842 15.981 0.324 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.975 17.080 -1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.912 16.407 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.065 15.128 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.084 14.119 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.936 13.705 -0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.882 16.729 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.839 16.564 -1.864 1.00 0.00 H new ATOM 216 N LEU A 15 -3.389 14.363 -2.484 1.00 0.00 N ATOM 217 CA LEU A 15 -3.522 13.466 -3.614 1.00 0.00 C ATOM 218 C LEU A 15 -3.936 14.240 -4.868 1.00 0.00 C ATOM 219 O LEU A 15 -3.648 13.813 -5.985 1.00 0.00 O ATOM 220 CB LEU A 15 -4.539 12.356 -3.304 1.00 0.00 C ATOM 221 CG LEU A 15 -5.984 12.643 -3.727 1.00 0.00 C ATOM 222 CD1 LEU A 15 -6.194 12.292 -5.191 1.00 0.00 C ATOM 223 CD2 LEU A 15 -6.958 11.872 -2.849 1.00 0.00 C ATOM 0 H LEU A 15 -4.151 14.307 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.554 13.002 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.211 11.440 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.525 12.165 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.173 13.709 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.226 12.503 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.521 12.888 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.986 11.233 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.979 12.087 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.766 10.803 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.827 12.172 -1.809 1.00 0.00 H new ATOM 235 N LEU A 16 -4.629 15.376 -4.689 1.00 0.00 N ATOM 236 CA LEU A 16 -5.074 16.161 -5.843 1.00 0.00 C ATOM 237 C LEU A 16 -3.886 16.685 -6.658 1.00 0.00 C ATOM 238 O LEU A 16 -3.809 16.454 -7.864 1.00 0.00 O ATOM 239 CB LEU A 16 -5.954 17.330 -5.384 1.00 0.00 C ATOM 240 CG LEU A 16 -7.406 17.277 -5.867 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.339 17.866 -4.821 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.555 18.012 -7.190 1.00 0.00 C ATOM 0 H LEU A 16 -4.886 15.761 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.659 15.503 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.951 17.361 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.505 18.261 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.679 16.233 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.366 17.820 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.254 17.297 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.067 18.905 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.593 17.964 -7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.263 19.054 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.916 17.545 -7.939 1.00 0.00 H new ATOM 254 N PRO A 17 -2.941 17.394 -6.013 1.00 0.00 N ATOM 255 CA PRO A 17 -1.765 17.942 -6.676 1.00 0.00 C ATOM 256 C PRO A 17 -0.550 17.026 -6.559 1.00 0.00 C ATOM 257 O PRO A 17 0.589 17.472 -6.698 1.00 0.00 O ATOM 258 CB PRO A 17 -1.538 19.220 -5.882 1.00 0.00 C ATOM 259 CG PRO A 17 -1.907 18.845 -4.482 1.00 0.00 C ATOM 260 CD PRO A 17 -2.943 17.746 -4.585 1.00 0.00 C ATOM 0 HA PRO A 17 -1.906 18.081 -7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.502 19.552 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.158 20.036 -6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.032 18.502 -3.930 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.307 19.704 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.682 16.891 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.925 18.090 -4.259 1.00 0.00 H new ATOM 268 N LEU A 18 -0.796 15.746 -6.292 1.00 0.00 N ATOM 269 CA LEU A 18 0.281 14.777 -6.147 1.00 0.00 C ATOM 270 C LEU A 18 1.039 14.613 -7.452 1.00 0.00 C ATOM 271 O LEU A 18 2.167 15.081 -7.594 1.00 0.00 O ATOM 272 CB LEU A 18 -0.278 13.426 -5.690 1.00 0.00 C ATOM 273 CG LEU A 18 0.718 12.263 -5.720 1.00 0.00 C ATOM 274 CD1 LEU A 18 1.935 12.581 -4.865 1.00 0.00 C ATOM 275 CD2 LEU A 18 0.052 10.979 -5.248 1.00 0.00 C ATOM 0 H LEU A 18 -1.732 15.358 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 18 0.973 15.148 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.656 13.533 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.129 13.171 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 18 1.050 12.119 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.632 11.744 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.425 13.476 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.622 12.752 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.774 10.163 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.309 11.110 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.787 10.743 -5.902 1.00 0.00 H new ATOM 287 N HIS A 19 0.400 13.943 -8.396 1.00 0.00 N ATOM 288 CA HIS A 19 0.989 13.693 -9.707 1.00 0.00 C ATOM 289 C HIS A 19 -0.032 13.035 -10.624 1.00 0.00 C ATOM 290 O HIS A 19 -0.051 13.279 -11.829 1.00 0.00 O ATOM 291 CB HIS A 19 2.221 12.791 -9.581 1.00 0.00 C ATOM 292 CG HIS A 19 3.482 13.530 -9.253 1.00 0.00 C ATOM 293 ND1 HIS A 19 3.844 14.714 -9.862 1.00 0.00 N ATOM 294 CD2 HIS A 19 4.466 13.250 -8.365 1.00 0.00 C ATOM 295 CE1 HIS A 19 4.996 15.129 -9.364 1.00 0.00 C ATOM 296 NE2 HIS A 19 5.394 14.260 -8.453 1.00 0.00 N ATOM 0 H HIS A 19 -0.537 13.557 -8.280 1.00 0.00 H new ATOM 0 HA HIS A 19 1.293 14.649 -10.133 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.036 12.046 -8.807 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.361 12.251 -10.517 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.513 12.393 -7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.522 16.027 -9.653 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.251 14.327 -7.904 1.00 0.00 H new ATOM 305 N ARG A 20 -0.877 12.194 -10.035 1.00 0.00 N ATOM 306 CA ARG A 20 -1.911 11.485 -10.782 1.00 0.00 C ATOM 307 C ARG A 20 -1.302 10.622 -11.893 1.00 0.00 C ATOM 308 O ARG A 20 -1.995 10.219 -12.828 1.00 0.00 O ATOM 309 CB ARG A 20 -2.930 12.486 -11.355 1.00 0.00 C ATOM 310 CG ARG A 20 -2.760 12.796 -12.838 1.00 0.00 C ATOM 311 CD ARG A 20 -3.327 14.161 -13.189 1.00 0.00 C ATOM 312 NE ARG A 20 -3.102 14.504 -14.592 1.00 0.00 N ATOM 313 CZ ARG A 20 -1.949 14.969 -15.066 1.00 0.00 C ATOM 314 NH1 ARG A 20 -0.913 15.147 -14.255 1.00 0.00 N ATOM 315 NH2 ARG A 20 -1.831 15.258 -16.355 1.00 0.00 N ATOM 0 H ARG A 20 -0.865 11.986 -9.036 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.430 10.814 -10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.934 12.093 -11.193 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.858 13.417 -10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.702 12.762 -13.099 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.260 12.030 -13.431 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.397 14.174 -12.980 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.869 14.918 -12.553 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.875 14.380 -15.246 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.998 14.927 -13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.032 15.504 -14.624 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.624 15.124 -16.982 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.947 15.615 -16.719 1.00 0.00 H new ATOM 329 N ARG A 21 -0.006 10.339 -11.782 1.00 0.00 N ATOM 330 CA ARG A 21 0.686 9.525 -12.775 1.00 0.00 C ATOM 331 C ARG A 21 0.223 8.069 -12.710 1.00 0.00 C ATOM 332 O ARG A 21 0.051 7.516 -11.624 1.00 0.00 O ATOM 333 CB ARG A 21 2.199 9.600 -12.554 1.00 0.00 C ATOM 334 CG ARG A 21 3.006 9.599 -13.845 1.00 0.00 C ATOM 335 CD ARG A 21 3.640 10.956 -14.111 1.00 0.00 C ATOM 336 NE ARG A 21 5.069 10.965 -13.807 1.00 0.00 N ATOM 337 CZ ARG A 21 5.980 10.285 -14.500 1.00 0.00 C ATOM 338 NH1 ARG A 21 5.615 9.537 -15.533 1.00 0.00 N ATOM 339 NH2 ARG A 21 7.260 10.353 -14.160 1.00 0.00 N ATOM 0 H ARG A 21 0.584 10.661 -11.015 1.00 0.00 H new ATOM 0 HA ARG A 21 0.446 9.918 -13.763 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.431 10.504 -11.991 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.510 8.754 -11.941 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.784 8.838 -13.787 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.358 9.330 -14.679 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.491 11.227 -15.156 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.137 11.714 -13.511 1.00 0.00 H new ATOM 0 HE ARG A 21 5.388 11.526 -13.017 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.632 9.481 -15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.317 9.018 -16.060 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.547 10.927 -13.367 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.957 9.832 -14.691 1.00 0.00 H new ATOM 353 N PRO A 22 0.009 7.424 -13.875 1.00 0.00 N ATOM 354 CA PRO A 22 -0.439 6.028 -13.935 1.00 0.00 C ATOM 355 C PRO A 22 0.619 5.053 -13.419 1.00 0.00 C ATOM 356 O PRO A 22 1.124 4.213 -14.166 1.00 0.00 O ATOM 357 CB PRO A 22 -0.703 5.786 -15.431 1.00 0.00 C ATOM 358 CG PRO A 22 -0.721 7.140 -16.058 1.00 0.00 C ATOM 359 CD PRO A 22 0.178 7.997 -15.219 1.00 0.00 C ATOM 0 HA PRO A 22 -1.314 5.863 -13.306 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.074 5.161 -15.870 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.651 5.270 -15.584 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.369 7.097 -17.089 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.733 7.544 -16.084 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.214 7.946 -15.554 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.116 9.046 -15.252 1.00 0.00 H new ATOM 367 N ASN A 23 0.949 5.166 -12.137 1.00 0.00 N ATOM 368 CA ASN A 23 1.943 4.294 -11.523 1.00 0.00 C ATOM 369 C ASN A 23 1.807 4.294 -9.999 1.00 0.00 C ATOM 370 O ASN A 23 2.802 4.247 -9.289 1.00 0.00 O ATOM 371 CB ASN A 23 3.361 4.717 -11.948 1.00 0.00 C ATOM 372 CG ASN A 23 3.986 5.779 -11.058 1.00 0.00 C ATOM 373 OD1 ASN A 23 3.171 6.684 -10.537 1.00 0.00 O flip ATOM 374 ND2 ASN A 23 5.198 5.781 -10.842 1.00 0.00 N flip ATOM 0 H ASN A 23 0.542 5.853 -11.503 1.00 0.00 H new ATOM 0 HA ASN A 23 1.768 3.276 -11.871 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.005 3.837 -11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.325 5.091 -12.971 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.792 5.066 -11.262 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.608 6.497 -10.243 1.00 0.00 H new ATOM 381 N ILE A 24 0.573 4.361 -9.496 1.00 0.00 N ATOM 382 CA ILE A 24 0.340 4.383 -8.052 1.00 0.00 C ATOM 383 C ILE A 24 -0.643 3.303 -7.596 1.00 0.00 C ATOM 384 O ILE A 24 -1.652 3.044 -8.252 1.00 0.00 O ATOM 385 CB ILE A 24 -0.183 5.760 -7.596 1.00 0.00 C ATOM 386 CG1 ILE A 24 -0.282 5.814 -6.070 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.535 6.054 -8.232 1.00 0.00 C ATOM 388 CD1 ILE A 24 -0.662 7.178 -5.534 1.00 0.00 C ATOM 0 H ILE A 24 -0.274 4.401 -10.063 1.00 0.00 H new ATOM 0 HA ILE A 24 1.306 4.181 -7.590 1.00 0.00 H new ATOM 0 HB ILE A 24 0.522 6.524 -7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.019 5.084 -5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.676 5.519 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.889 7.030 -7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.434 6.055 -9.317 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.251 5.288 -7.935 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.713 7.140 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.087 7.910 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.634 7.468 -5.933 1.00 0.00 H new ATOM 400 N ALA A 25 -0.335 2.689 -6.453 1.00 0.00 N ATOM 401 CA ALA A 25 -1.175 1.646 -5.873 1.00 0.00 C ATOM 402 C ALA A 25 -0.914 1.504 -4.371 1.00 0.00 C ATOM 403 O ALA A 25 0.230 1.382 -3.940 1.00 0.00 O ATOM 404 CB ALA A 25 -0.939 0.320 -6.578 1.00 0.00 C ATOM 0 H ALA A 25 0.500 2.901 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.217 1.935 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.573 -0.447 -6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.181 0.422 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.107 0.032 -6.471 1.00 0.00 H new ATOM 410 N ILE A 26 -1.983 1.527 -3.581 1.00 0.00 N ATOM 411 CA ILE A 26 -1.874 1.407 -2.130 1.00 0.00 C ATOM 412 C ILE A 26 -1.823 -0.061 -1.683 1.00 0.00 C ATOM 413 O ILE A 26 -2.656 -0.873 -2.085 1.00 0.00 O ATOM 414 CB ILE A 26 -3.063 2.117 -1.440 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.856 3.634 -1.448 1.00 0.00 C ATOM 416 CG2 ILE A 26 -3.264 1.611 -0.016 1.00 0.00 C ATOM 417 CD1 ILE A 26 -3.847 4.369 -2.325 1.00 0.00 C ATOM 0 H ILE A 26 -2.939 1.628 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.940 1.885 -1.834 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.966 1.883 -2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.935 4.010 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.845 3.854 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.107 2.131 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.466 0.540 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.363 1.800 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.644 5.439 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.752 4.020 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.859 4.178 -1.969 1.00 0.00 H new ATOM 429 N ILE A 27 -0.837 -0.387 -0.843 1.00 0.00 N ATOM 430 CA ILE A 27 -0.673 -1.741 -0.334 1.00 0.00 C ATOM 431 C ILE A 27 -1.342 -1.915 1.031 1.00 0.00 C ATOM 432 O ILE A 27 -1.274 -1.040 1.896 1.00 0.00 O ATOM 433 CB ILE A 27 0.826 -2.132 -0.251 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.236 -2.899 -1.513 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.128 -2.956 0.998 1.00 0.00 C ATOM 436 CD1 ILE A 27 0.805 -4.351 -1.516 1.00 0.00 C ATOM 0 H ILE A 27 -0.140 0.275 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.166 -2.409 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 27 1.409 -1.214 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.809 -2.402 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.320 -2.852 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.188 -3.210 1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.876 -2.376 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.536 -3.871 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.132 -4.826 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.254 -4.865 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.281 -4.408 -1.443 1.00 0.00 H new ATOM 448 N ASP A 28 -1.966 -3.075 1.207 1.00 0.00 N ATOM 449 CA ASP A 28 -2.634 -3.415 2.454 1.00 0.00 C ATOM 450 C ASP A 28 -2.058 -4.715 3.005 1.00 0.00 C ATOM 451 O ASP A 28 -2.163 -5.765 2.376 1.00 0.00 O ATOM 452 CB ASP A 28 -4.143 -3.554 2.231 1.00 0.00 C ATOM 453 CG ASP A 28 -4.945 -2.617 3.112 1.00 0.00 C ATOM 454 OD1 ASP A 28 -5.264 -3.006 4.255 1.00 0.00 O ATOM 455 OD2 ASP A 28 -5.251 -1.494 2.660 1.00 0.00 O ATOM 0 H ASP A 28 -2.022 -3.801 0.493 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.467 -2.616 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.373 -3.351 1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.444 -4.583 2.430 1.00 0.00 H new ATOM 460 N VAL A 29 -1.437 -4.636 4.172 1.00 0.00 N ATOM 461 CA VAL A 29 -0.831 -5.805 4.796 1.00 0.00 C ATOM 462 C VAL A 29 -1.879 -6.697 5.452 1.00 0.00 C ATOM 463 O VAL A 29 -2.934 -6.222 5.869 1.00 0.00 O ATOM 464 CB VAL A 29 0.214 -5.396 5.855 1.00 0.00 C ATOM 465 CG1 VAL A 29 -0.440 -4.611 6.983 1.00 0.00 C ATOM 466 CG2 VAL A 29 0.936 -6.621 6.397 1.00 0.00 C ATOM 0 H VAL A 29 -1.339 -3.774 4.708 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.338 -6.363 4.000 1.00 0.00 H new ATOM 0 HB VAL A 29 0.951 -4.751 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.315 -4.333 7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.902 -3.710 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.202 -5.227 7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.669 -6.311 7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.214 -7.295 6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.444 -7.135 5.581 1.00 0.00 H new ATOM 476 N ARG A 30 -1.564 -7.989 5.547 1.00 0.00 N ATOM 477 CA ARG A 30 -2.450 -8.980 6.164 1.00 0.00 C ATOM 478 C ARG A 30 -3.477 -9.523 5.172 1.00 0.00 C ATOM 479 O ARG A 30 -3.941 -8.809 4.283 1.00 0.00 O ATOM 480 CB ARG A 30 -3.158 -8.394 7.398 1.00 0.00 C ATOM 481 CG ARG A 30 -4.577 -7.903 7.135 1.00 0.00 C ATOM 482 CD ARG A 30 -4.972 -6.796 8.098 1.00 0.00 C ATOM 483 NE ARG A 30 -6.276 -6.225 7.772 1.00 0.00 N ATOM 484 CZ ARG A 30 -6.486 -5.388 6.759 1.00 0.00 C ATOM 485 NH1 ARG A 30 -5.481 -5.014 5.976 1.00 0.00 N ATOM 486 NH2 ARG A 30 -7.706 -4.922 6.528 1.00 0.00 N ATOM 0 H ARG A 30 -0.688 -8.379 5.199 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.823 -9.813 6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.188 -9.153 8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.565 -7.564 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.653 -7.539 6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.274 -8.735 7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.993 -7.190 9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.217 -6.010 8.076 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.072 -6.483 8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.540 -5.369 6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.650 -4.372 5.201 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.482 -5.205 7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.868 -4.280 5.752 1.00 0.00 H new ATOM 500 N ASP A 31 -3.843 -10.787 5.356 1.00 0.00 N ATOM 501 CA ASP A 31 -4.827 -11.437 4.515 1.00 0.00 C ATOM 502 C ASP A 31 -6.084 -11.726 5.314 1.00 0.00 C ATOM 503 O ASP A 31 -7.103 -12.124 4.755 1.00 0.00 O ATOM 504 CB ASP A 31 -4.278 -12.730 3.928 1.00 0.00 C ATOM 505 CG ASP A 31 -3.495 -13.547 4.938 1.00 0.00 C ATOM 506 OD1 ASP A 31 -3.798 -13.447 6.147 1.00 0.00 O ATOM 507 OD2 ASP A 31 -2.579 -14.287 4.521 1.00 0.00 O ATOM 0 H ASP A 31 -3.464 -11.384 6.091 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.068 -10.763 3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.104 -13.329 3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.634 -12.495 3.080 1.00 0.00 H new ATOM 512 N GLU A 32 -6.021 -11.493 6.628 1.00 0.00 N ATOM 513 CA GLU A 32 -7.179 -11.697 7.481 1.00 0.00 C ATOM 514 C GLU A 32 -8.328 -10.842 6.963 1.00 0.00 C ATOM 515 O GLU A 32 -9.494 -11.090 7.270 1.00 0.00 O ATOM 516 CB GLU A 32 -6.859 -11.342 8.936 1.00 0.00 C ATOM 517 CG GLU A 32 -6.168 -10.000 9.102 1.00 0.00 C ATOM 518 CD GLU A 32 -6.076 -9.567 10.551 1.00 0.00 C ATOM 519 OE1 GLU A 32 -7.081 -9.045 11.080 1.00 0.00 O ATOM 520 OE2 GLU A 32 -4.999 -9.746 11.158 1.00 0.00 O ATOM 0 H GLU A 32 -5.186 -11.166 7.114 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.463 -12.749 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.785 -11.337 9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.225 -12.121 9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.165 -10.057 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.710 -9.244 8.534 1.00 0.00 H new ATOM 527 N GLU A 33 -7.982 -9.854 6.132 1.00 0.00 N ATOM 528 CA GLU A 33 -8.977 -8.987 5.525 1.00 0.00 C ATOM 529 C GLU A 33 -9.790 -9.788 4.526 1.00 0.00 C ATOM 530 O GLU A 33 -10.919 -9.430 4.194 1.00 0.00 O ATOM 531 CB GLU A 33 -8.304 -7.801 4.832 1.00 0.00 C ATOM 532 CG GLU A 33 -7.310 -8.210 3.756 1.00 0.00 C ATOM 533 CD GLU A 33 -7.946 -8.306 2.382 1.00 0.00 C ATOM 534 OE1 GLU A 33 -8.515 -9.373 2.065 1.00 0.00 O ATOM 535 OE2 GLU A 33 -7.876 -7.317 1.625 1.00 0.00 O ATOM 0 H GLU A 33 -7.020 -9.641 5.869 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.635 -8.596 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.071 -7.169 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.790 -7.198 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.495 -7.487 3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.872 -9.173 4.018 1.00 0.00 H new ATOM 542 N ARG A 34 -9.213 -10.900 4.072 1.00 0.00 N ATOM 543 CA ARG A 34 -9.899 -11.772 3.134 1.00 0.00 C ATOM 544 C ARG A 34 -11.076 -12.455 3.827 1.00 0.00 C ATOM 545 O ARG A 34 -11.942 -13.036 3.173 1.00 0.00 O ATOM 546 CB ARG A 34 -8.935 -12.822 2.576 1.00 0.00 C ATOM 547 CG ARG A 34 -7.880 -12.247 1.645 1.00 0.00 C ATOM 548 CD ARG A 34 -6.833 -13.288 1.281 1.00 0.00 C ATOM 549 NE ARG A 34 -7.229 -14.081 0.119 1.00 0.00 N ATOM 550 CZ ARG A 34 -6.381 -14.807 -0.607 1.00 0.00 C ATOM 551 NH1 ARG A 34 -5.092 -14.846 -0.293 1.00 0.00 N ATOM 552 NH2 ARG A 34 -6.825 -15.500 -1.648 1.00 0.00 N ATOM 0 H ARG A 34 -8.279 -11.212 4.339 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.273 -11.171 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.439 -13.325 3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.507 -13.579 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.357 -11.876 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.397 -11.395 2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.885 -12.792 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.668 -13.949 2.132 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.212 -14.078 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.746 -14.318 0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.447 -15.404 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.815 -15.476 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.176 -16.056 -2.205 1.00 0.00 H new ATOM 566 N ASN A 35 -11.103 -12.373 5.160 1.00 0.00 N ATOM 567 CA ASN A 35 -12.172 -12.977 5.942 1.00 0.00 C ATOM 568 C ASN A 35 -13.377 -12.044 6.026 1.00 0.00 C ATOM 569 O ASN A 35 -14.495 -12.426 5.681 1.00 0.00 O ATOM 570 CB ASN A 35 -11.674 -13.317 7.348 1.00 0.00 C ATOM 571 CG ASN A 35 -12.198 -14.652 7.841 1.00 0.00 C ATOM 572 OD1 ASN A 35 -13.121 -14.707 8.653 1.00 0.00 O ATOM 573 ND2 ASN A 35 -11.608 -15.736 7.352 1.00 0.00 N ATOM 0 H ASN A 35 -10.395 -11.893 5.715 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.481 -13.895 5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.584 -13.335 7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.981 -12.532 8.039 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.917 -16.662 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.846 -15.643 6.680 1.00 0.00 H new ATOM 580 N TYR A 36 -13.140 -10.816 6.485 1.00 0.00 N ATOM 581 CA TYR A 36 -14.206 -9.823 6.615 1.00 0.00 C ATOM 582 C TYR A 36 -14.961 -9.669 5.301 1.00 0.00 C ATOM 583 O TYR A 36 -16.166 -9.417 5.293 1.00 0.00 O ATOM 584 CB TYR A 36 -13.631 -8.474 7.050 1.00 0.00 C ATOM 585 CG TYR A 36 -12.596 -8.585 8.146 1.00 0.00 C ATOM 586 CD1 TYR A 36 -12.890 -9.229 9.340 1.00 0.00 C ATOM 587 CD2 TYR A 36 -11.325 -8.055 7.982 1.00 0.00 C ATOM 588 CE1 TYR A 36 -11.945 -9.339 10.342 1.00 0.00 C ATOM 589 CE2 TYR A 36 -10.374 -8.161 8.977 1.00 0.00 C ATOM 590 CZ TYR A 36 -10.689 -8.803 10.155 1.00 0.00 C ATOM 591 OH TYR A 36 -9.744 -8.912 11.149 1.00 0.00 O ATOM 0 H TYR A 36 -12.219 -10.485 6.773 1.00 0.00 H new ATOM 0 HA TYR A 36 -14.903 -10.171 7.378 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -13.183 -7.984 6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -14.445 -7.835 7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -13.873 -9.651 9.488 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.075 -7.551 7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -12.189 -9.842 11.266 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.389 -7.743 8.833 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.849 -8.919 10.750 1.00 0.00 H new ATOM 601 N ASP A 37 -14.237 -9.831 4.195 1.00 0.00 N ATOM 602 CA ASP A 37 -14.814 -9.728 2.850 1.00 0.00 C ATOM 603 C ASP A 37 -14.835 -8.286 2.346 1.00 0.00 C ATOM 604 O ASP A 37 -15.064 -8.047 1.162 1.00 0.00 O ATOM 605 CB ASP A 37 -16.229 -10.316 2.801 1.00 0.00 C ATOM 606 CG ASP A 37 -16.332 -11.644 3.526 1.00 0.00 C ATOM 607 OD1 ASP A 37 -15.422 -12.483 3.359 1.00 0.00 O ATOM 608 OD2 ASP A 37 -17.323 -11.844 4.258 1.00 0.00 O ATOM 0 H ASP A 37 -13.238 -10.037 4.202 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.169 -10.310 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.929 -9.608 3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.528 -10.449 1.761 1.00 0.00 H new ATOM 613 N GLY A 38 -14.587 -7.324 3.229 1.00 0.00 N ATOM 614 CA GLY A 38 -14.576 -5.937 2.803 1.00 0.00 C ATOM 615 C GLY A 38 -13.516 -5.699 1.746 1.00 0.00 C ATOM 616 O GLY A 38 -12.329 -5.908 2.003 1.00 0.00 O ATOM 0 H GLY A 38 -14.396 -7.477 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.555 -5.667 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.390 -5.291 3.661 1.00 0.00 H new ATOM 620 N HIS A 39 -13.929 -5.295 0.545 1.00 0.00 N ATOM 621 CA HIS A 39 -12.969 -5.081 -0.535 1.00 0.00 C ATOM 622 C HIS A 39 -13.011 -3.668 -1.116 1.00 0.00 C ATOM 623 O HIS A 39 -12.804 -3.497 -2.319 1.00 0.00 O ATOM 624 CB HIS A 39 -13.184 -6.094 -1.663 1.00 0.00 C ATOM 625 CG HIS A 39 -13.455 -7.488 -1.190 1.00 0.00 C ATOM 626 ND1 HIS A 39 -14.527 -8.205 -1.661 1.00 0.00 N ATOM 627 CD2 HIS A 39 -12.765 -8.251 -0.309 1.00 0.00 C ATOM 628 CE1 HIS A 39 -14.467 -9.380 -1.064 1.00 0.00 C ATOM 629 NE2 HIS A 39 -13.415 -9.456 -0.234 1.00 0.00 N ATOM 0 H HIS A 39 -14.902 -5.113 0.299 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.986 -5.220 -0.085 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -14.019 -5.763 -2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -12.300 -6.104 -2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.874 -7.965 0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -15.175 -10.180 -1.223 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.150 -10.256 0.341 1.00 0.00 H new ATOM 637 N ILE A 40 -13.220 -2.646 -0.283 1.00 0.00 N ATOM 638 CA ILE A 40 -13.200 -1.280 -0.797 1.00 0.00 C ATOM 639 C ILE A 40 -11.751 -0.945 -1.115 1.00 0.00 C ATOM 640 O ILE A 40 -11.080 -0.208 -0.393 1.00 0.00 O ATOM 641 CB ILE A 40 -13.824 -0.245 0.186 1.00 0.00 C ATOM 642 CG1 ILE A 40 -15.313 -0.078 -0.128 1.00 0.00 C ATOM 643 CG2 ILE A 40 -13.121 1.113 0.106 1.00 0.00 C ATOM 644 CD1 ILE A 40 -16.002 0.999 0.685 1.00 0.00 C ATOM 0 H ILE A 40 -13.399 -2.734 0.717 1.00 0.00 H new ATOM 0 HA ILE A 40 -13.822 -1.221 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 40 -13.695 -0.623 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.426 0.154 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -15.818 -1.028 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.587 1.806 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.068 0.993 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.207 1.508 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.053 1.052 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.924 0.760 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.525 1.960 0.494 1.00 0.00 H new ATOM 656 N ALA A 41 -11.265 -1.555 -2.184 1.00 0.00 N ATOM 657 CA ALA A 41 -9.884 -1.381 -2.608 1.00 0.00 C ATOM 658 C ALA A 41 -9.742 -1.350 -4.127 1.00 0.00 C ATOM 659 O ALA A 41 -10.411 -2.093 -4.846 1.00 0.00 O ATOM 660 CB ALA A 41 -9.015 -2.480 -2.017 1.00 0.00 C ATOM 0 H ALA A 41 -11.810 -2.179 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.549 -0.413 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.983 -2.341 -2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.064 -2.437 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.374 -3.451 -2.358 1.00 0.00 H new ATOM 666 N GLY A 42 -8.847 -0.499 -4.602 1.00 0.00 N ATOM 667 CA GLY A 42 -8.584 -0.389 -6.015 1.00 0.00 C ATOM 668 C GLY A 42 -7.122 -0.629 -6.343 1.00 0.00 C ATOM 669 O GLY A 42 -6.726 -0.580 -7.508 1.00 0.00 O ATOM 0 H GLY A 42 -8.291 0.127 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.199 -1.109 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.875 0.603 -6.362 1.00 0.00 H new ATOM 673 N SER A 43 -6.311 -0.884 -5.313 1.00 0.00 N ATOM 674 CA SER A 43 -4.888 -1.124 -5.505 1.00 0.00 C ATOM 675 C SER A 43 -4.520 -2.585 -5.204 1.00 0.00 C ATOM 676 O SER A 43 -5.042 -3.495 -5.849 1.00 0.00 O ATOM 677 CB SER A 43 -4.086 -0.153 -4.643 1.00 0.00 C ATOM 678 OG SER A 43 -4.617 -0.079 -3.331 1.00 0.00 O ATOM 0 H SER A 43 -6.619 -0.928 -4.342 1.00 0.00 H new ATOM 0 HA SER A 43 -4.639 -0.948 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.045 -0.474 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.096 0.837 -5.099 1.00 0.00 H new ATOM 0 HG SER A 43 -4.113 -0.676 -2.740 1.00 0.00 H new ATOM 684 N LEU A 44 -3.611 -2.822 -4.249 1.00 0.00 N ATOM 685 CA LEU A 44 -3.199 -4.185 -3.931 1.00 0.00 C ATOM 686 C LEU A 44 -3.315 -4.506 -2.441 1.00 0.00 C ATOM 687 O LEU A 44 -2.812 -3.773 -1.591 1.00 0.00 O ATOM 688 CB LEU A 44 -1.762 -4.414 -4.396 1.00 0.00 C ATOM 689 CG LEU A 44 -1.607 -4.741 -5.881 1.00 0.00 C ATOM 690 CD1 LEU A 44 -0.203 -4.401 -6.357 1.00 0.00 C ATOM 691 CD2 LEU A 44 -1.920 -6.207 -6.138 1.00 0.00 C ATOM 0 H LEU A 44 -3.156 -2.097 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.878 -4.855 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.178 -3.521 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.333 -5.229 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.316 -4.135 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.110 -4.640 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.016 -3.338 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.524 -4.981 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.805 -6.423 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.235 -6.831 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.945 -6.419 -5.834 1.00 0.00 H new ATOM 703 N HIS A 45 -3.961 -5.633 -2.145 1.00 0.00 N ATOM 704 CA HIS A 45 -4.129 -6.102 -0.772 1.00 0.00 C ATOM 705 C HIS A 45 -3.558 -7.513 -0.639 1.00 0.00 C ATOM 706 O HIS A 45 -3.661 -8.314 -1.568 1.00 0.00 O ATOM 707 CB HIS A 45 -5.608 -6.089 -0.360 1.00 0.00 C ATOM 708 CG HIS A 45 -6.565 -6.058 -1.511 1.00 0.00 C ATOM 709 ND1 HIS A 45 -6.675 -4.983 -2.370 1.00 0.00 N ATOM 710 CD2 HIS A 45 -7.463 -6.974 -1.944 1.00 0.00 C ATOM 711 CE1 HIS A 45 -7.598 -5.240 -3.278 1.00 0.00 C ATOM 712 NE2 HIS A 45 -8.091 -6.441 -3.043 1.00 0.00 N ATOM 0 H HIS A 45 -4.380 -6.243 -2.847 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.590 -5.427 -0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.813 -6.972 0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.790 -5.220 0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.651 -7.943 -1.507 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.899 -4.579 -4.078 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.820 -6.899 -3.589 1.00 0.00 H new ATOM 721 N TYR A 46 -2.948 -7.817 0.505 1.00 0.00 N ATOM 722 CA TYR A 46 -2.362 -9.139 0.714 1.00 0.00 C ATOM 723 C TYR A 46 -1.794 -9.305 2.125 1.00 0.00 C ATOM 724 O TYR A 46 -1.929 -8.426 2.978 1.00 0.00 O ATOM 725 CB TYR A 46 -1.254 -9.383 -0.313 1.00 0.00 C ATOM 726 CG TYR A 46 0.059 -8.714 0.039 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.094 -7.411 0.528 1.00 0.00 C ATOM 728 CD2 TYR A 46 1.262 -9.387 -0.115 1.00 0.00 C ATOM 729 CE1 TYR A 46 1.292 -6.804 0.851 1.00 0.00 C ATOM 730 CE2 TYR A 46 2.463 -8.786 0.206 1.00 0.00 C ATOM 731 CZ TYR A 46 2.473 -7.495 0.688 1.00 0.00 C ATOM 732 OH TYR A 46 3.669 -6.894 1.008 1.00 0.00 O ATOM 0 H TYR A 46 -2.847 -7.176 1.292 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.160 -9.871 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.090 -10.456 -0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.587 -9.022 -1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.830 -6.866 0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.259 -10.399 -0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.303 -5.793 1.230 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.390 -9.325 0.080 1.00 0.00 H new ATOM 0 HH TYR A 46 4.405 -7.518 0.836 1.00 0.00 H new ATOM 742 N ALA A 47 -1.147 -10.447 2.349 1.00 0.00 N ATOM 743 CA ALA A 47 -0.543 -10.757 3.637 1.00 0.00 C ATOM 744 C ALA A 47 0.962 -10.868 3.536 1.00 0.00 C ATOM 745 O ALA A 47 1.698 -10.296 4.339 1.00 0.00 O ATOM 746 CB ALA A 47 -1.051 -12.085 4.160 1.00 0.00 C ATOM 0 H ALA A 47 -1.029 -11.177 1.646 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.814 -9.942 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.587 -12.298 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.133 -12.039 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.798 -12.875 3.453 1.00 0.00 H new ATOM 752 N SER A 48 1.398 -11.685 2.580 1.00 0.00 N ATOM 753 CA SER A 48 2.807 -11.980 2.386 1.00 0.00 C ATOM 754 C SER A 48 3.142 -13.202 3.217 1.00 0.00 C ATOM 755 O SER A 48 3.924 -13.133 4.155 1.00 0.00 O ATOM 756 CB SER A 48 3.694 -10.794 2.775 1.00 0.00 C ATOM 757 OG SER A 48 4.824 -10.706 1.925 1.00 0.00 O ATOM 0 H SER A 48 0.781 -12.159 1.920 1.00 0.00 H new ATOM 0 HA SER A 48 2.998 -12.173 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.118 -9.870 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.020 -10.903 3.809 1.00 0.00 H new ATOM 0 HG SER A 48 5.195 -9.800 1.966 1.00 0.00 H new ATOM 763 N GLY A 49 2.524 -14.330 2.861 1.00 0.00 N ATOM 764 CA GLY A 49 2.745 -15.579 3.577 1.00 0.00 C ATOM 765 C GLY A 49 4.177 -15.723 4.033 1.00 0.00 C ATOM 766 O GLY A 49 4.453 -16.296 5.088 1.00 0.00 O ATOM 0 H GLY A 49 1.869 -14.400 2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.083 -15.623 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.484 -16.418 2.932 1.00 0.00 H new ATOM 770 N SER A 50 5.085 -15.177 3.239 1.00 0.00 N ATOM 771 CA SER A 50 6.495 -15.212 3.557 1.00 0.00 C ATOM 772 C SER A 50 6.964 -13.858 4.079 1.00 0.00 C ATOM 773 O SER A 50 7.961 -13.781 4.797 1.00 0.00 O ATOM 774 CB SER A 50 7.309 -15.610 2.326 1.00 0.00 C ATOM 775 OG SER A 50 8.142 -16.724 2.603 1.00 0.00 O ATOM 0 H SER A 50 4.863 -14.702 2.364 1.00 0.00 H new ATOM 0 HA SER A 50 6.649 -15.957 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.636 -15.851 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.919 -14.767 2.002 1.00 0.00 H new ATOM 0 HG SER A 50 8.651 -16.960 1.799 1.00 0.00 H new ATOM 781 N PHE A 51 6.263 -12.778 3.701 1.00 0.00 N ATOM 782 CA PHE A 51 6.652 -11.438 4.130 1.00 0.00 C ATOM 783 C PHE A 51 7.987 -11.044 3.513 1.00 0.00 C ATOM 784 O PHE A 51 8.375 -9.881 3.555 1.00 0.00 O ATOM 785 CB PHE A 51 6.751 -11.341 5.657 1.00 0.00 C ATOM 786 CG PHE A 51 5.876 -12.305 6.411 1.00 0.00 C ATOM 787 CD1 PHE A 51 4.493 -12.213 6.346 1.00 0.00 C ATOM 788 CD2 PHE A 51 6.439 -13.297 7.197 1.00 0.00 C ATOM 789 CE1 PHE A 51 3.692 -13.094 7.047 1.00 0.00 C ATOM 790 CE2 PHE A 51 5.642 -14.180 7.903 1.00 0.00 C ATOM 791 CZ PHE A 51 4.268 -14.078 7.827 1.00 0.00 C ATOM 0 H PHE A 51 5.435 -12.811 3.106 1.00 0.00 H new ATOM 0 HA PHE A 51 5.876 -10.753 3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.787 -11.508 5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.493 -10.326 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.037 -11.444 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.514 -13.382 7.259 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.617 -13.013 6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.094 -14.948 8.513 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.644 -14.767 8.377 1.00 0.00 H new ATOM 801 N ASP A 52 8.681 -12.021 2.944 1.00 0.00 N ATOM 802 CA ASP A 52 9.968 -11.793 2.318 1.00 0.00 C ATOM 803 C ASP A 52 9.986 -12.407 0.922 1.00 0.00 C ATOM 804 O ASP A 52 11.047 -12.638 0.345 1.00 0.00 O ATOM 805 CB ASP A 52 11.073 -12.410 3.185 1.00 0.00 C ATOM 806 CG ASP A 52 12.467 -11.935 2.822 1.00 0.00 C ATOM 807 OD1 ASP A 52 12.898 -12.168 1.676 1.00 0.00 O ATOM 808 OD2 ASP A 52 13.134 -11.342 3.695 1.00 0.00 O ATOM 0 H ASP A 52 8.365 -12.990 2.906 1.00 0.00 H new ATOM 0 HA ASP A 52 10.142 -10.721 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.878 -12.172 4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.033 -13.495 3.092 1.00 0.00 H new ATOM 813 N ASP A 53 8.799 -12.680 0.388 1.00 0.00 N ATOM 814 CA ASP A 53 8.678 -13.273 -0.934 1.00 0.00 C ATOM 815 C ASP A 53 7.845 -12.397 -1.868 1.00 0.00 C ATOM 816 O ASP A 53 7.710 -12.707 -3.052 1.00 0.00 O ATOM 817 CB ASP A 53 8.054 -14.666 -0.827 1.00 0.00 C ATOM 818 CG ASP A 53 9.094 -15.769 -0.849 1.00 0.00 C ATOM 819 OD1 ASP A 53 10.202 -15.550 -0.317 1.00 0.00 O ATOM 820 OD2 ASP A 53 8.802 -16.851 -1.400 1.00 0.00 O ATOM 0 H ASP A 53 7.909 -12.499 0.853 1.00 0.00 H new ATOM 0 HA ASP A 53 9.679 -13.355 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.477 -14.733 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.356 -14.812 -1.651 1.00 0.00 H new ATOM 825 N LYS A 54 7.276 -11.310 -1.343 1.00 0.00 N ATOM 826 CA LYS A 54 6.454 -10.424 -2.171 1.00 0.00 C ATOM 827 C LYS A 54 7.184 -9.127 -2.510 1.00 0.00 C ATOM 828 O LYS A 54 7.185 -8.682 -3.657 1.00 0.00 O ATOM 829 CB LYS A 54 5.134 -10.112 -1.464 1.00 0.00 C ATOM 830 CG LYS A 54 4.198 -11.306 -1.367 1.00 0.00 C ATOM 831 CD LYS A 54 3.942 -11.927 -2.731 1.00 0.00 C ATOM 832 CE LYS A 54 2.883 -13.014 -2.658 1.00 0.00 C ATOM 833 NZ LYS A 54 2.224 -13.234 -3.974 1.00 0.00 N ATOM 0 H LYS A 54 7.366 -11.025 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 54 6.249 -10.945 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.347 -9.746 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.628 -9.307 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.629 -12.054 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.252 -10.993 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.624 -11.154 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.869 -12.347 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.340 -13.944 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.132 -12.740 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.508 -13.983 -3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.766 -12.353 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.937 -13.520 -4.676 1.00 0.00 H new ATOM 847 N ILE A 55 7.802 -8.523 -1.505 1.00 0.00 N ATOM 848 CA ILE A 55 8.530 -7.276 -1.693 1.00 0.00 C ATOM 849 C ILE A 55 9.463 -7.355 -2.899 1.00 0.00 C ATOM 850 O ILE A 55 9.509 -6.438 -3.721 1.00 0.00 O ATOM 851 CB ILE A 55 9.341 -6.918 -0.432 1.00 0.00 C ATOM 852 CG1 ILE A 55 8.423 -6.903 0.792 1.00 0.00 C ATOM 853 CG2 ILE A 55 10.036 -5.578 -0.598 1.00 0.00 C ATOM 854 CD1 ILE A 55 8.606 -8.100 1.693 1.00 0.00 C ATOM 0 H ILE A 55 7.814 -8.877 -0.549 1.00 0.00 H new ATOM 0 HA ILE A 55 7.793 -6.494 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 55 10.110 -7.677 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.609 -5.994 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.386 -6.864 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.602 -5.347 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.714 -5.623 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.291 -4.800 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.925 -8.025 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.392 -9.012 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.634 -8.129 2.055 1.00 0.00 H new ATOM 866 N SER A 56 10.191 -8.461 -3.015 1.00 0.00 N ATOM 867 CA SER A 56 11.094 -8.638 -4.142 1.00 0.00 C ATOM 868 C SER A 56 10.379 -9.225 -5.333 1.00 0.00 C ATOM 869 O SER A 56 10.892 -9.216 -6.443 1.00 0.00 O ATOM 870 CB SER A 56 12.348 -9.429 -3.802 1.00 0.00 C ATOM 871 OG SER A 56 12.856 -9.044 -2.539 1.00 0.00 O ATOM 0 H SER A 56 10.174 -9.236 -2.352 1.00 0.00 H new ATOM 0 HA SER A 56 11.437 -7.638 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.121 -10.495 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.105 -9.267 -4.569 1.00 0.00 H new ATOM 0 HG SER A 56 12.670 -9.748 -1.883 1.00 0.00 H new ATOM 877 N HIS A 57 9.152 -9.631 -5.120 1.00 0.00 N ATOM 878 CA HIS A 57 8.327 -10.085 -6.220 1.00 0.00 C ATOM 879 C HIS A 57 8.202 -8.862 -7.113 1.00 0.00 C ATOM 880 O HIS A 57 8.254 -8.931 -8.341 1.00 0.00 O ATOM 881 CB HIS A 57 6.957 -10.567 -5.736 1.00 0.00 C ATOM 882 CG HIS A 57 6.127 -11.192 -6.814 1.00 0.00 C ATOM 883 ND1 HIS A 57 6.455 -12.389 -7.418 1.00 0.00 N ATOM 884 CD2 HIS A 57 4.975 -10.783 -7.398 1.00 0.00 C ATOM 885 CE1 HIS A 57 5.544 -12.685 -8.327 1.00 0.00 C ATOM 886 NE2 HIS A 57 4.636 -11.727 -8.334 1.00 0.00 N ATOM 0 H HIS A 57 8.702 -9.658 -4.205 1.00 0.00 H new ATOM 0 HA HIS A 57 8.760 -10.940 -6.739 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.098 -11.290 -4.933 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.413 -9.723 -5.313 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.426 -9.882 -7.169 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.542 -13.562 -8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.815 -11.694 -8.938 1.00 0.00 H new ATOM 895 N LEU A 58 8.130 -7.718 -6.426 1.00 0.00 N ATOM 896 CA LEU A 58 8.097 -6.427 -7.071 1.00 0.00 C ATOM 897 C LEU A 58 9.500 -6.148 -7.575 1.00 0.00 C ATOM 898 O LEU A 58 9.690 -5.533 -8.624 1.00 0.00 O ATOM 899 CB LEU A 58 7.639 -5.341 -6.091 1.00 0.00 C ATOM 900 CG LEU A 58 6.542 -4.415 -6.618 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.295 -5.211 -6.969 1.00 0.00 C ATOM 902 CD2 LEU A 58 6.219 -3.336 -5.594 1.00 0.00 C ATOM 0 H LEU A 58 8.094 -7.674 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 58 7.386 -6.425 -7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.281 -5.822 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.502 -4.736 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 58 6.905 -3.931 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.525 -4.536 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.537 -5.946 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.928 -5.723 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.436 -2.686 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.876 -3.802 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.113 -2.746 -5.392 1.00 0.00 H new ATOM 914 N VAL A 59 10.495 -6.671 -6.839 1.00 0.00 N ATOM 915 CA VAL A 59 11.887 -6.537 -7.251 1.00 0.00 C ATOM 916 C VAL A 59 12.031 -7.163 -8.641 1.00 0.00 C ATOM 917 O VAL A 59 12.797 -6.696 -9.484 1.00 0.00 O ATOM 918 CB VAL A 59 12.848 -7.267 -6.276 1.00 0.00 C ATOM 919 CG1 VAL A 59 14.119 -7.681 -6.976 1.00 0.00 C ATOM 920 CG2 VAL A 59 13.163 -6.437 -5.037 1.00 0.00 C ATOM 0 H VAL A 59 10.356 -7.183 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 59 12.150 -5.479 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 59 12.328 -8.163 -5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.774 -8.190 -6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.879 -8.355 -7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.624 -6.797 -7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.839 -6.994 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.636 -5.502 -5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.240 -6.221 -4.499 1.00 0.00 H new ATOM 930 N GLN A 60 11.275 -8.241 -8.842 1.00 0.00 N ATOM 931 CA GLN A 60 11.268 -8.990 -10.086 1.00 0.00 C ATOM 932 C GLN A 60 10.550 -8.226 -11.184 1.00 0.00 C ATOM 933 O GLN A 60 10.804 -8.438 -12.369 1.00 0.00 O ATOM 934 CB GLN A 60 10.591 -10.341 -9.851 1.00 0.00 C ATOM 935 CG GLN A 60 11.213 -11.135 -8.716 1.00 0.00 C ATOM 936 CD GLN A 60 11.332 -12.610 -9.039 1.00 0.00 C ATOM 937 OE1 GLN A 60 12.429 -13.125 -9.255 1.00 0.00 O ATOM 938 NE2 GLN A 60 10.196 -13.298 -9.078 1.00 0.00 N ATOM 0 H GLN A 60 10.645 -8.619 -8.134 1.00 0.00 H new ATOM 0 HA GLN A 60 12.297 -9.143 -10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.535 -10.178 -9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.642 -10.929 -10.767 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.202 -10.734 -8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.610 -11.011 -7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.309 -12.829 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.211 -14.295 -9.294 1.00 0.00 H new ATOM 947 N ASN A 61 9.650 -7.339 -10.787 1.00 0.00 N ATOM 948 CA ASN A 61 8.899 -6.551 -11.747 1.00 0.00 C ATOM 949 C ASN A 61 9.718 -5.355 -12.223 1.00 0.00 C ATOM 950 O ASN A 61 9.966 -5.202 -13.418 1.00 0.00 O ATOM 951 CB ASN A 61 7.579 -6.102 -11.125 1.00 0.00 C ATOM 952 CG ASN A 61 6.630 -7.266 -10.888 1.00 0.00 C ATOM 953 OD1 ASN A 61 7.177 -8.447 -10.583 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 5.411 -7.109 -10.975 1.00 0.00 N flip ATOM 0 H ASN A 61 9.424 -7.149 -9.811 1.00 0.00 H new ATOM 0 HA ASN A 61 8.681 -7.167 -12.619 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.778 -5.599 -10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.101 -5.373 -11.779 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.030 -6.192 -11.210 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.783 -7.896 -10.812 1.00 0.00 H new ATOM 961 N VAL A 62 10.140 -4.513 -11.278 1.00 0.00 N ATOM 962 CA VAL A 62 10.942 -3.330 -11.593 1.00 0.00 C ATOM 963 C VAL A 62 10.434 -2.635 -12.850 1.00 0.00 C ATOM 964 O VAL A 62 11.209 -2.265 -13.735 1.00 0.00 O ATOM 965 CB VAL A 62 12.429 -3.691 -11.775 1.00 0.00 C ATOM 966 CG1 VAL A 62 13.036 -4.133 -10.452 1.00 0.00 C ATOM 967 CG2 VAL A 62 12.592 -4.772 -12.832 1.00 0.00 C ATOM 0 H VAL A 62 9.939 -4.629 -10.285 1.00 0.00 H new ATOM 0 HA VAL A 62 10.845 -2.649 -10.748 1.00 0.00 H new ATOM 0 HB VAL A 62 12.961 -2.802 -12.114 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.086 -4.384 -10.599 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.955 -3.324 -9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.502 -5.008 -10.081 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.649 -5.013 -12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.047 -5.665 -12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 62 12.197 -4.414 -13.783 1.00 0.00 H new ATOM 977 N LYS A 63 9.120 -2.471 -12.921 1.00 0.00 N ATOM 978 CA LYS A 63 8.478 -1.832 -14.070 1.00 0.00 C ATOM 979 C LYS A 63 8.735 -0.324 -14.122 1.00 0.00 C ATOM 980 O LYS A 63 8.181 0.367 -14.977 1.00 0.00 O ATOM 981 CB LYS A 63 6.972 -2.096 -14.042 1.00 0.00 C ATOM 982 CG LYS A 63 6.345 -2.167 -15.424 1.00 0.00 C ATOM 983 CD LYS A 63 5.070 -2.995 -15.416 1.00 0.00 C ATOM 984 CE LYS A 63 5.334 -4.427 -15.856 1.00 0.00 C ATOM 985 NZ LYS A 63 4.075 -5.213 -15.969 1.00 0.00 N ATOM 0 H LYS A 63 8.471 -2.772 -12.194 1.00 0.00 H new ATOM 0 HA LYS A 63 8.918 -2.270 -14.966 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.785 -3.033 -13.518 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.483 -1.308 -13.470 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.124 -1.160 -15.776 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.057 -2.601 -16.126 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.640 -2.994 -14.414 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.334 -2.539 -16.079 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.847 -4.423 -16.818 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.001 -4.910 -15.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.297 -6.183 -16.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.598 -5.239 -15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.449 -4.767 -16.670 1.00 0.00 H new ATOM 999 N ASP A 64 9.570 0.189 -13.219 1.00 0.00 N ATOM 1000 CA ASP A 64 9.876 1.617 -13.192 1.00 0.00 C ATOM 1001 C ASP A 64 8.665 2.415 -12.722 1.00 0.00 C ATOM 1002 O ASP A 64 8.694 3.038 -11.660 1.00 0.00 O ATOM 1003 CB ASP A 64 10.323 2.101 -14.576 1.00 0.00 C ATOM 1004 CG ASP A 64 11.776 2.535 -14.594 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.635 1.756 -14.132 1.00 0.00 O ATOM 1006 OD2 ASP A 64 12.054 3.655 -15.072 1.00 0.00 O ATOM 0 H ASP A 64 10.043 -0.360 -12.501 1.00 0.00 H new ATOM 0 HA ASP A 64 10.693 1.776 -12.488 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.176 1.302 -15.303 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.694 2.935 -14.887 1.00 0.00 H new ATOM 1011 N LYS A 65 7.595 2.380 -13.511 1.00 0.00 N ATOM 1012 CA LYS A 65 6.370 3.089 -13.159 1.00 0.00 C ATOM 1013 C LYS A 65 5.679 2.384 -12.013 1.00 0.00 C ATOM 1014 O LYS A 65 4.823 1.524 -12.221 1.00 0.00 O ATOM 1015 CB LYS A 65 5.423 3.158 -14.347 1.00 0.00 C ATOM 1016 CG LYS A 65 5.549 4.431 -15.162 1.00 0.00 C ATOM 1017 CD LYS A 65 6.798 4.421 -16.030 1.00 0.00 C ATOM 1018 CE LYS A 65 6.781 3.266 -17.017 1.00 0.00 C ATOM 1019 NZ LYS A 65 5.468 3.147 -17.711 1.00 0.00 N ATOM 0 H LYS A 65 7.552 1.871 -14.394 1.00 0.00 H new ATOM 0 HA LYS A 65 6.638 4.103 -12.863 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.608 2.303 -14.997 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.398 3.069 -13.987 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.668 4.548 -15.793 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.578 5.291 -14.492 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.873 5.363 -16.572 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.682 4.347 -15.397 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.570 3.408 -17.755 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.999 2.336 -16.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.569 2.529 -18.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.767 2.740 -17.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.151 4.089 -18.017 1.00 0.00 H new ATOM 1033 N ASP A 66 6.043 2.762 -10.807 1.00 0.00 N ATOM 1034 CA ASP A 66 5.442 2.167 -9.625 1.00 0.00 C ATOM 1035 C ASP A 66 5.540 3.066 -8.400 1.00 0.00 C ATOM 1036 O ASP A 66 6.625 3.353 -7.901 1.00 0.00 O ATOM 1037 CB ASP A 66 6.102 0.820 -9.323 1.00 0.00 C ATOM 1038 CG ASP A 66 5.812 -0.219 -10.389 1.00 0.00 C ATOM 1039 OD1 ASP A 66 6.512 -0.220 -11.423 1.00 0.00 O ATOM 1040 OD2 ASP A 66 4.885 -1.032 -10.188 1.00 0.00 O ATOM 0 H ASP A 66 6.748 3.474 -10.616 1.00 0.00 H new ATOM 0 HA ASP A 66 4.383 2.028 -9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.180 0.958 -9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.750 0.454 -8.358 1.00 0.00 H new ATOM 1045 N THR A 67 4.381 3.445 -7.891 1.00 0.00 N ATOM 1046 CA THR A 67 4.276 4.239 -6.681 1.00 0.00 C ATOM 1047 C THR A 67 3.441 3.438 -5.698 1.00 0.00 C ATOM 1048 O THR A 67 2.381 2.944 -6.068 1.00 0.00 O ATOM 1049 CB THR A 67 3.628 5.598 -6.972 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.499 6.416 -7.731 1.00 0.00 O ATOM 1051 CG2 THR A 67 3.247 6.367 -5.727 1.00 0.00 C ATOM 0 H THR A 67 3.481 3.209 -8.309 1.00 0.00 H new ATOM 0 HA THR A 67 5.263 4.446 -6.268 1.00 0.00 H new ATOM 0 HB THR A 67 2.717 5.366 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.062 6.668 -8.571 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.795 7.317 -6.011 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.533 5.785 -5.144 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.138 6.554 -5.128 1.00 0.00 H new ATOM 1059 N LEU A 68 3.903 3.268 -4.470 1.00 0.00 N ATOM 1060 CA LEU A 68 3.134 2.475 -3.520 1.00 0.00 C ATOM 1061 C LEU A 68 2.974 3.144 -2.167 1.00 0.00 C ATOM 1062 O LEU A 68 3.951 3.555 -1.545 1.00 0.00 O ATOM 1063 CB LEU A 68 3.778 1.101 -3.338 1.00 0.00 C ATOM 1064 CG LEU A 68 2.928 0.086 -2.574 1.00 0.00 C ATOM 1065 CD1 LEU A 68 2.101 -0.749 -3.542 1.00 0.00 C ATOM 1066 CD2 LEU A 68 3.809 -0.806 -1.710 1.00 0.00 C ATOM 0 H LEU A 68 4.778 3.653 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 68 2.135 2.373 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.010 0.692 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.725 1.227 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 68 2.246 0.628 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.501 -1.467 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.443 -0.096 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.765 -1.283 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.187 -1.522 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.516 -1.342 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.356 -0.193 -0.994 1.00 0.00 H new ATOM 1078 N VAL A 69 1.735 3.186 -1.691 1.00 0.00 N ATOM 1079 CA VAL A 69 1.438 3.729 -0.377 1.00 0.00 C ATOM 1080 C VAL A 69 0.792 2.623 0.441 1.00 0.00 C ATOM 1081 O VAL A 69 -0.235 2.085 0.044 1.00 0.00 O ATOM 1082 CB VAL A 69 0.488 4.942 -0.445 1.00 0.00 C ATOM 1083 CG1 VAL A 69 0.618 5.787 0.811 1.00 0.00 C ATOM 1084 CG2 VAL A 69 0.766 5.779 -1.687 1.00 0.00 C ATOM 0 H VAL A 69 0.919 2.848 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 69 2.365 4.078 0.078 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.535 4.573 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.059 6.639 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.363 5.185 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.644 6.144 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.084 6.629 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.794 6.140 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.619 5.168 -2.578 1.00 0.00 H new ATOM 1094 N PHE A 70 1.402 2.249 1.556 1.00 0.00 N ATOM 1095 CA PHE A 70 0.863 1.148 2.353 1.00 0.00 C ATOM 1096 C PHE A 70 0.461 1.563 3.755 1.00 0.00 C ATOM 1097 O PHE A 70 0.999 2.520 4.309 1.00 0.00 O ATOM 1098 CB PHE A 70 1.898 0.024 2.441 1.00 0.00 C ATOM 1099 CG PHE A 70 3.152 0.420 3.172 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.073 1.273 2.586 1.00 0.00 C ATOM 1101 CD2 PHE A 70 3.405 -0.056 4.449 1.00 0.00 C ATOM 1102 CE1 PHE A 70 5.222 1.644 3.258 1.00 0.00 C ATOM 1103 CE2 PHE A 70 4.555 0.311 5.125 1.00 0.00 C ATOM 1104 CZ PHE A 70 5.463 1.162 4.528 1.00 0.00 C ATOM 0 H PHE A 70 2.251 2.677 1.926 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.041 0.809 1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.450 -0.834 2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.160 -0.298 1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.891 1.653 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.697 -0.721 4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.931 2.311 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.742 -0.068 6.119 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.361 1.450 5.054 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.475 0.791 4.322 1.00 0.00 N ATOM 1115 CA HIS A 71 -0.979 1.006 5.694 1.00 0.00 C ATOM 1116 C HIS A 71 -2.420 0.517 5.834 1.00 0.00 C ATOM 1117 O HIS A 71 -2.665 -0.554 6.389 1.00 0.00 O ATOM 1118 CB HIS A 71 -0.897 2.480 6.128 1.00 0.00 C ATOM 1119 CG HIS A 71 -0.957 2.669 7.613 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -0.793 1.636 8.512 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -1.158 3.784 8.357 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -0.890 2.106 9.743 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -1.110 3.406 9.676 1.00 0.00 N ATOM 0 H HIS A 71 -0.907 -0.001 3.847 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.331 0.424 6.350 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.031 2.910 5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.715 3.033 5.666 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.325 4.783 7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.804 1.526 10.650 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.226 4.029 10.475 1.00 0.00 H new ATOM 1132 N SER A 72 -3.366 1.320 5.333 1.00 0.00 N ATOM 1133 CA SER A 72 -4.799 1.005 5.392 1.00 0.00 C ATOM 1134 C SER A 72 -5.446 1.665 6.609 1.00 0.00 C ATOM 1135 O SER A 72 -5.591 1.046 7.662 1.00 0.00 O ATOM 1136 CB SER A 72 -5.043 -0.512 5.405 1.00 0.00 C ATOM 1137 OG SER A 72 -5.044 -1.028 6.725 1.00 0.00 O ATOM 0 H SER A 72 -3.160 2.208 4.875 1.00 0.00 H new ATOM 0 HA SER A 72 -5.263 1.407 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.998 -0.732 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.271 -1.011 4.819 1.00 0.00 H new ATOM 0 HG SER A 72 -4.121 -1.108 7.046 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.825 2.935 6.453 1.00 0.00 N ATOM 1144 CA ALA A 73 -6.447 3.693 7.534 1.00 0.00 C ATOM 1145 C ALA A 73 -5.478 3.861 8.698 1.00 0.00 C ATOM 1146 O ALA A 73 -4.949 4.947 8.933 1.00 0.00 O ATOM 1147 CB ALA A 73 -7.726 3.011 7.997 1.00 0.00 C ATOM 0 H ALA A 73 -5.711 3.459 5.585 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.703 4.683 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.176 3.590 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.425 2.945 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.494 2.008 8.356 1.00 0.00 H new ATOM 1153 N LEU A 74 -5.246 2.770 9.414 1.00 0.00 N ATOM 1154 CA LEU A 74 -4.343 2.757 10.545 1.00 0.00 C ATOM 1155 C LEU A 74 -4.346 1.370 11.157 1.00 0.00 C ATOM 1156 O LEU A 74 -5.106 1.095 12.085 1.00 0.00 O ATOM 1157 CB LEU A 74 -4.757 3.799 11.588 1.00 0.00 C ATOM 1158 CG LEU A 74 -6.219 3.726 12.036 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -6.321 3.830 13.551 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -7.039 4.823 11.369 1.00 0.00 C ATOM 0 H LEU A 74 -5.683 1.868 9.222 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.339 3.010 10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.119 3.686 12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.567 4.792 11.181 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.623 2.761 11.730 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.368 3.776 13.850 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.770 3.009 14.010 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.898 4.779 13.880 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.075 4.755 11.700 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.634 5.797 11.643 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.995 4.703 10.287 1.00 0.00 H new ATOM 1172 N SER A 75 -3.511 0.485 10.617 1.00 0.00 N ATOM 1173 CA SER A 75 -3.436 -0.892 11.100 1.00 0.00 C ATOM 1174 C SER A 75 -2.922 -0.973 12.543 1.00 0.00 C ATOM 1175 O SER A 75 -2.236 -1.924 12.910 1.00 0.00 O ATOM 1176 CB SER A 75 -2.539 -1.721 10.178 1.00 0.00 C ATOM 1177 OG SER A 75 -1.319 -1.051 9.915 1.00 0.00 O ATOM 0 H SER A 75 -2.878 0.696 9.846 1.00 0.00 H new ATOM 0 HA SER A 75 -4.448 -1.297 11.091 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.335 -2.688 10.638 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.059 -1.917 9.240 1.00 0.00 H new ATOM 0 HG SER A 75 -0.764 -1.602 9.325 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.273 0.015 13.361 1.00 0.00 N ATOM 1184 CA GLN A 76 -2.857 0.039 14.761 1.00 0.00 C ATOM 1185 C GLN A 76 -1.337 0.111 14.890 1.00 0.00 C ATOM 1186 O GLN A 76 -0.716 -0.735 15.534 1.00 0.00 O ATOM 1187 CB GLN A 76 -3.390 -1.196 15.492 1.00 0.00 C ATOM 1188 CG GLN A 76 -4.867 -1.109 15.845 1.00 0.00 C ATOM 1189 CD GLN A 76 -5.729 -0.707 14.663 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -5.554 -1.396 13.540 1.00 0.00 O flip ATOM 1191 NE2 GLN A 76 -6.544 0.211 14.758 1.00 0.00 N flip ATOM 0 H GLN A 76 -3.845 0.811 13.079 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.276 0.935 15.219 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.226 -2.075 14.869 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.815 -1.342 16.407 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.203 -2.074 16.223 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.002 -0.387 16.650 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.646 0.714 15.640 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.118 0.469 13.955 1.00 0.00 H new ATOM 1200 N VAL A 77 -0.745 1.131 14.279 1.00 0.00 N ATOM 1201 CA VAL A 77 0.701 1.322 14.331 1.00 0.00 C ATOM 1202 C VAL A 77 1.449 0.201 13.609 1.00 0.00 C ATOM 1203 O VAL A 77 2.666 0.071 13.746 1.00 0.00 O ATOM 1204 CB VAL A 77 1.207 1.405 15.785 1.00 0.00 C ATOM 1205 CG1 VAL A 77 2.669 1.828 15.820 1.00 0.00 C ATOM 1206 CG2 VAL A 77 0.348 2.362 16.601 1.00 0.00 C ATOM 0 H VAL A 77 -1.244 1.839 13.741 1.00 0.00 H new ATOM 0 HA VAL A 77 0.903 2.266 13.824 1.00 0.00 H new ATOM 0 HB VAL A 77 1.128 0.414 16.232 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.008 1.881 16.855 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.272 1.099 15.278 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.776 2.807 15.353 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.723 2.405 17.624 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.389 3.357 16.157 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.684 2.010 16.607 1.00 0.00 H new ATOM 1216 N ARG A 78 0.723 -0.608 12.840 1.00 0.00 N ATOM 1217 CA ARG A 78 1.334 -1.706 12.098 1.00 0.00 C ATOM 1218 C ARG A 78 2.032 -1.201 10.846 1.00 0.00 C ATOM 1219 O ARG A 78 2.962 -1.836 10.359 1.00 0.00 O ATOM 1220 CB ARG A 78 0.292 -2.762 11.726 1.00 0.00 C ATOM 1221 CG ARG A 78 0.184 -3.897 12.733 1.00 0.00 C ATOM 1222 CD ARG A 78 -0.231 -3.393 14.106 1.00 0.00 C ATOM 1223 NE ARG A 78 0.405 -4.150 15.181 1.00 0.00 N ATOM 1224 CZ ARG A 78 0.197 -3.915 16.476 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -0.628 -2.949 16.859 1.00 0.00 N ATOM 1226 NH2 ARG A 78 0.816 -4.650 17.390 1.00 0.00 N ATOM 0 H ARG A 78 -0.286 -0.523 12.715 1.00 0.00 H new ATOM 0 HA ARG A 78 2.079 -2.165 12.748 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.681 -2.281 11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.541 -3.177 10.749 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.542 -4.629 12.379 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.143 -4.409 12.808 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.031 -2.339 14.200 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.314 -3.462 14.206 1.00 0.00 H new ATOM 0 HE ARG A 78 1.045 -4.902 14.926 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.107 -2.381 16.160 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.783 -2.774 17.852 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.451 -5.394 17.101 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.657 -4.471 18.382 1.00 0.00 H new ATOM 1240 N GLY A 79 1.582 -0.056 10.327 1.00 0.00 N ATOM 1241 CA GLY A 79 2.192 0.507 9.130 1.00 0.00 C ATOM 1242 C GLY A 79 3.701 0.325 9.134 1.00 0.00 C ATOM 1243 O GLY A 79 4.257 -0.314 8.242 1.00 0.00 O ATOM 0 H GLY A 79 0.810 0.488 10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.769 0.029 8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.953 1.568 9.064 1.00 0.00 H new ATOM 1247 N PRO A 80 4.386 0.857 10.162 1.00 0.00 N ATOM 1248 CA PRO A 80 5.835 0.720 10.295 1.00 0.00 C ATOM 1249 C PRO A 80 6.255 -0.745 10.257 1.00 0.00 C ATOM 1250 O PRO A 80 7.298 -1.085 9.702 1.00 0.00 O ATOM 1251 CB PRO A 80 6.136 1.328 11.668 1.00 0.00 C ATOM 1252 CG PRO A 80 4.989 2.237 11.944 1.00 0.00 C ATOM 1253 CD PRO A 80 3.795 1.610 11.281 1.00 0.00 C ATOM 0 HA PRO A 80 6.375 1.209 9.484 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.221 0.555 12.432 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.080 1.874 11.660 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.827 2.346 13.016 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.177 3.234 11.547 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.253 0.956 11.964 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.088 2.362 10.931 1.00 0.00 H new ATOM 1261 N THR A 81 5.423 -1.615 10.835 1.00 0.00 N ATOM 1262 CA THR A 81 5.707 -3.043 10.840 1.00 0.00 C ATOM 1263 C THR A 81 5.735 -3.566 9.410 1.00 0.00 C ATOM 1264 O THR A 81 6.578 -4.389 9.052 1.00 0.00 O ATOM 1265 CB THR A 81 4.659 -3.801 11.652 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.463 -3.192 12.916 1.00 0.00 O ATOM 1267 CG2 THR A 81 5.022 -5.251 11.893 1.00 0.00 C ATOM 0 H THR A 81 4.554 -1.353 11.301 1.00 0.00 H new ATOM 0 HA THR A 81 6.681 -3.202 11.303 1.00 0.00 H new ATOM 0 HB THR A 81 3.750 -3.765 11.052 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.787 -3.692 13.419 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.236 -5.731 12.475 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.129 -5.763 10.937 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.963 -5.304 12.441 1.00 0.00 H new ATOM 1275 N CYS A 82 4.818 -3.057 8.588 1.00 0.00 N ATOM 1276 CA CYS A 82 4.754 -3.447 7.187 1.00 0.00 C ATOM 1277 C CYS A 82 6.049 -3.037 6.511 1.00 0.00 C ATOM 1278 O CYS A 82 6.687 -3.827 5.822 1.00 0.00 O ATOM 1279 CB CYS A 82 3.560 -2.790 6.488 1.00 0.00 C ATOM 1280 SG CYS A 82 2.047 -2.748 7.477 1.00 0.00 S ATOM 0 H CYS A 82 4.113 -2.376 8.870 1.00 0.00 H new ATOM 0 HA CYS A 82 4.622 -4.527 7.119 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.830 -1.770 6.216 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.358 -3.325 5.560 1.00 0.00 H new ATOM 0 HG CYS A 82 2.340 -2.443 8.706 1.00 0.00 H new ATOM 1286 N ALA A 83 6.455 -1.797 6.757 1.00 0.00 N ATOM 1287 CA ALA A 83 7.704 -1.300 6.210 1.00 0.00 C ATOM 1288 C ALA A 83 8.848 -2.150 6.738 1.00 0.00 C ATOM 1289 O ALA A 83 9.859 -2.342 6.064 1.00 0.00 O ATOM 1290 CB ALA A 83 7.907 0.167 6.562 1.00 0.00 C ATOM 0 H ALA A 83 5.941 -1.125 7.327 1.00 0.00 H new ATOM 0 HA ALA A 83 7.675 -1.371 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.850 0.515 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.087 0.756 6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.930 0.281 7.646 1.00 0.00 H new ATOM 1296 N ARG A 84 8.659 -2.686 7.944 1.00 0.00 N ATOM 1297 CA ARG A 84 9.654 -3.549 8.553 1.00 0.00 C ATOM 1298 C ARG A 84 9.823 -4.796 7.697 1.00 0.00 C ATOM 1299 O ARG A 84 10.928 -5.322 7.555 1.00 0.00 O ATOM 1300 CB ARG A 84 9.241 -3.930 9.977 1.00 0.00 C ATOM 1301 CG ARG A 84 10.218 -3.460 11.042 1.00 0.00 C ATOM 1302 CD ARG A 84 9.593 -3.500 12.426 1.00 0.00 C ATOM 1303 NE ARG A 84 10.283 -2.618 13.365 1.00 0.00 N ATOM 1304 CZ ARG A 84 11.498 -2.860 13.850 1.00 0.00 C ATOM 1305 NH1 ARG A 84 12.161 -3.952 13.486 1.00 0.00 N ATOM 1306 NH2 ARG A 84 12.054 -2.007 14.699 1.00 0.00 N ATOM 0 H ARG A 84 7.826 -2.534 8.512 1.00 0.00 H new ATOM 0 HA ARG A 84 10.603 -3.017 8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.258 -3.508 10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.142 -5.014 10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.108 -4.090 11.025 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.542 -2.444 10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.545 -3.209 12.359 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.616 -4.522 12.805 1.00 0.00 H new ATOM 0 HE ARG A 84 9.806 -1.768 13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.739 -4.610 12.831 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.092 -4.132 13.861 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.550 -1.166 14.980 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.985 -2.192 15.071 1.00 0.00 H new ATOM 1320 N ARG A 85 8.719 -5.249 7.102 1.00 0.00 N ATOM 1321 CA ARG A 85 8.757 -6.415 6.235 1.00 0.00 C ATOM 1322 C ARG A 85 9.484 -6.062 4.944 1.00 0.00 C ATOM 1323 O ARG A 85 10.218 -6.879 4.388 1.00 0.00 O ATOM 1324 CB ARG A 85 7.343 -6.955 5.958 1.00 0.00 C ATOM 1325 CG ARG A 85 6.593 -6.252 4.831 1.00 0.00 C ATOM 1326 CD ARG A 85 6.234 -7.208 3.705 1.00 0.00 C ATOM 1327 NE ARG A 85 4.794 -7.244 3.460 1.00 0.00 N ATOM 1328 CZ ARG A 85 3.938 -7.980 4.166 1.00 0.00 C ATOM 1329 NH1 ARG A 85 4.372 -8.747 5.159 1.00 0.00 N ATOM 1330 NH2 ARG A 85 2.644 -7.946 3.881 1.00 0.00 N ATOM 0 H ARG A 85 7.797 -4.826 7.207 1.00 0.00 H new ATOM 0 HA ARG A 85 9.303 -7.213 6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.416 -8.016 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.754 -6.874 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.684 -5.800 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.206 -5.442 4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.750 -6.906 2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.585 -8.210 3.953 1.00 0.00 H new ATOM 0 HE ARG A 85 4.422 -6.671 2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.366 -8.775 5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.711 -9.308 5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.304 -7.356 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.988 -8.510 4.421 1.00 0.00 H new ATOM 1344 N LEU A 86 9.307 -4.816 4.489 1.00 0.00 N ATOM 1345 CA LEU A 86 9.990 -4.358 3.288 1.00 0.00 C ATOM 1346 C LEU A 86 11.487 -4.413 3.543 1.00 0.00 C ATOM 1347 O LEU A 86 12.267 -4.866 2.706 1.00 0.00 O ATOM 1348 CB LEU A 86 9.560 -2.932 2.928 1.00 0.00 C ATOM 1349 CG LEU A 86 8.233 -2.829 2.171 1.00 0.00 C ATOM 1350 CD1 LEU A 86 7.430 -1.634 2.661 1.00 0.00 C ATOM 1351 CD2 LEU A 86 8.480 -2.731 0.673 1.00 0.00 C ATOM 0 H LEU A 86 8.705 -4.121 4.931 1.00 0.00 H new ATOM 0 HA LEU A 86 9.729 -5.001 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.484 -2.349 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.343 -2.474 2.323 1.00 0.00 H new ATOM 0 HG LEU A 86 7.655 -3.732 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.490 -1.577 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.222 -1.747 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.001 -0.720 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.526 -2.659 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.078 -1.845 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.013 -3.619 0.333 1.00 0.00 H new ATOM 1363 N VAL A 87 11.859 -3.982 4.742 1.00 0.00 N ATOM 1364 CA VAL A 87 13.240 -4.005 5.180 1.00 0.00 C ATOM 1365 C VAL A 87 13.714 -5.445 5.294 1.00 0.00 C ATOM 1366 O VAL A 87 14.871 -5.751 5.020 1.00 0.00 O ATOM 1367 CB VAL A 87 13.419 -3.303 6.540 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.896 -3.151 6.872 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.720 -1.951 6.541 1.00 0.00 C ATOM 0 H VAL A 87 11.209 -3.608 5.434 1.00 0.00 H new ATOM 0 HA VAL A 87 13.833 -3.468 4.440 1.00 0.00 H new ATOM 0 HB VAL A 87 12.960 -3.922 7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 87 15.003 -2.653 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 87 15.362 -4.135 6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.383 -2.555 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.858 -1.471 7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.145 -1.321 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.655 -2.092 6.354 1.00 0.00 H new ATOM 1379 N ASN A 88 12.804 -6.324 5.716 1.00 0.00 N ATOM 1380 CA ASN A 88 13.114 -7.740 5.881 1.00 0.00 C ATOM 1381 C ASN A 88 13.592 -8.352 4.566 1.00 0.00 C ATOM 1382 O ASN A 88 14.656 -8.970 4.519 1.00 0.00 O ATOM 1383 CB ASN A 88 11.879 -8.481 6.432 1.00 0.00 C ATOM 1384 CG ASN A 88 11.477 -9.709 5.627 1.00 0.00 C ATOM 1385 OD1 ASN A 88 12.070 -10.777 5.771 1.00 0.00 O ATOM 1386 ND2 ASN A 88 10.456 -9.565 4.783 1.00 0.00 N ATOM 0 H ASN A 88 11.843 -6.076 5.950 1.00 0.00 H new ATOM 0 HA ASN A 88 13.928 -7.844 6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.080 -8.784 7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.038 -7.789 6.462 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.139 -10.359 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.992 -8.661 4.694 1.00 0.00 H new ATOM 1393 N TYR A 89 12.821 -8.173 3.495 1.00 0.00 N ATOM 1394 CA TYR A 89 13.221 -8.716 2.199 1.00 0.00 C ATOM 1395 C TYR A 89 14.490 -8.028 1.723 1.00 0.00 C ATOM 1396 O TYR A 89 15.437 -8.683 1.289 1.00 0.00 O ATOM 1397 CB TYR A 89 12.106 -8.572 1.159 1.00 0.00 C ATOM 1398 CG TYR A 89 12.148 -9.631 0.068 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.322 -10.313 -0.231 1.00 0.00 C ATOM 1400 CD2 TYR A 89 11.015 -9.934 -0.672 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.360 -11.269 -1.226 1.00 0.00 C ATOM 1402 CE2 TYR A 89 11.044 -10.891 -1.671 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.220 -11.559 -1.940 1.00 0.00 C ATOM 1404 OH TYR A 89 12.256 -12.513 -2.931 1.00 0.00 O ATOM 0 H TYR A 89 11.935 -7.668 3.497 1.00 0.00 H new ATOM 0 HA TYR A 89 13.415 -9.782 2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.141 -8.621 1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.175 -7.586 0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.221 -10.091 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.092 -9.413 -0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.282 -11.788 -1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.151 -11.113 -2.237 1.00 0.00 H new ATOM 0 HH TYR A 89 11.368 -12.597 -3.337 1.00 0.00 H new ATOM 1414 N LEU A 90 14.525 -6.705 1.841 1.00 0.00 N ATOM 1415 CA LEU A 90 15.709 -5.955 1.451 1.00 0.00 C ATOM 1416 C LEU A 90 16.918 -6.517 2.191 1.00 0.00 C ATOM 1417 O LEU A 90 18.020 -6.593 1.655 1.00 0.00 O ATOM 1418 CB LEU A 90 15.529 -4.468 1.774 1.00 0.00 C ATOM 1419 CG LEU A 90 16.792 -3.612 1.645 1.00 0.00 C ATOM 1420 CD1 LEU A 90 16.427 -2.168 1.340 1.00 0.00 C ATOM 1421 CD2 LEU A 90 17.627 -3.699 2.915 1.00 0.00 C ATOM 0 H LEU A 90 13.757 -6.138 2.199 1.00 0.00 H new ATOM 0 HA LEU A 90 15.863 -6.051 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.764 -4.060 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.151 -4.378 2.792 1.00 0.00 H new ATOM 0 HG LEU A 90 17.388 -3.997 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.336 -1.574 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.872 -2.123 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.811 -1.770 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.521 -3.085 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.041 -3.340 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.918 -4.735 3.089 1.00 0.00 H new ATOM 1433 N ASP A 91 16.680 -6.933 3.429 1.00 0.00 N ATOM 1434 CA ASP A 91 17.715 -7.520 4.265 1.00 0.00 C ATOM 1435 C ASP A 91 18.105 -8.900 3.748 1.00 0.00 C ATOM 1436 O ASP A 91 19.238 -9.347 3.927 1.00 0.00 O ATOM 1437 CB ASP A 91 17.223 -7.626 5.712 1.00 0.00 C ATOM 1438 CG ASP A 91 18.364 -7.643 6.711 1.00 0.00 C ATOM 1439 OD1 ASP A 91 18.854 -6.553 7.072 1.00 0.00 O ATOM 1440 OD2 ASP A 91 18.767 -8.749 7.132 1.00 0.00 O ATOM 0 H ASP A 91 15.767 -6.872 3.879 1.00 0.00 H new ATOM 0 HA ASP A 91 18.593 -6.875 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.564 -6.786 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.630 -8.534 5.826 1.00 0.00 H new ATOM 1445 N GLU A 92 17.145 -9.581 3.125 1.00 0.00 N ATOM 1446 CA GLU A 92 17.370 -10.925 2.604 1.00 0.00 C ATOM 1447 C GLU A 92 18.159 -10.921 1.295 1.00 0.00 C ATOM 1448 O GLU A 92 19.280 -11.428 1.243 1.00 0.00 O ATOM 1449 CB GLU A 92 16.030 -11.637 2.399 1.00 0.00 C ATOM 1450 CG GLU A 92 15.728 -12.680 3.462 1.00 0.00 C ATOM 1451 CD GLU A 92 14.878 -13.820 2.935 1.00 0.00 C ATOM 1452 OE1 GLU A 92 14.882 -14.044 1.706 1.00 0.00 O ATOM 1453 OE2 GLU A 92 14.206 -14.487 3.750 1.00 0.00 O ATOM 0 H GLU A 92 16.203 -9.222 2.969 1.00 0.00 H new ATOM 0 HA GLU A 92 17.968 -11.460 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.231 -10.895 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.029 -12.117 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.665 -13.080 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.214 -12.204 4.297 1.00 0.00 H new ATOM 1460 N LYS A 93 17.563 -10.387 0.232 1.00 0.00 N ATOM 1461 CA LYS A 93 18.221 -10.376 -1.074 1.00 0.00 C ATOM 1462 C LYS A 93 18.802 -9.010 -1.442 1.00 0.00 C ATOM 1463 O LYS A 93 19.204 -8.796 -2.585 1.00 0.00 O ATOM 1464 CB LYS A 93 17.239 -10.825 -2.159 1.00 0.00 C ATOM 1465 CG LYS A 93 17.291 -12.318 -2.444 1.00 0.00 C ATOM 1466 CD LYS A 93 18.687 -12.761 -2.857 1.00 0.00 C ATOM 1467 CE LYS A 93 19.346 -13.607 -1.779 1.00 0.00 C ATOM 1468 NZ LYS A 93 20.512 -14.368 -2.305 1.00 0.00 N ATOM 0 H LYS A 93 16.637 -9.961 0.246 1.00 0.00 H new ATOM 0 HA LYS A 93 19.057 -11.072 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.227 -10.556 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.452 -10.280 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.981 -12.869 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.582 -12.563 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.629 -13.332 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.303 -11.885 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.671 -12.964 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.615 -14.302 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.933 -14.932 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.198 -15.001 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.221 -13.704 -2.676 1.00 0.00 H new ATOM 1482 N LYS A 94 18.859 -8.089 -0.485 1.00 0.00 N ATOM 1483 CA LYS A 94 19.410 -6.759 -0.754 1.00 0.00 C ATOM 1484 C LYS A 94 18.758 -6.132 -1.985 1.00 0.00 C ATOM 1485 O LYS A 94 19.181 -6.379 -3.114 1.00 0.00 O ATOM 1486 CB LYS A 94 20.922 -6.850 -0.958 1.00 0.00 C ATOM 1487 CG LYS A 94 21.723 -6.658 0.320 1.00 0.00 C ATOM 1488 CD LYS A 94 22.143 -5.208 0.501 1.00 0.00 C ATOM 1489 CE LYS A 94 23.586 -5.100 0.966 1.00 0.00 C ATOM 1490 NZ LYS A 94 24.292 -3.959 0.321 1.00 0.00 N ATOM 0 H LYS A 94 18.536 -8.233 0.472 1.00 0.00 H new ATOM 0 HA LYS A 94 19.198 -6.124 0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.164 -7.823 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.228 -6.097 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.127 -6.975 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 94 22.608 -7.294 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.022 -4.673 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.488 -4.726 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.610 -4.977 2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 94 24.111 -6.028 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 25.273 -3.919 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.291 -4.089 -0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.806 -3.071 0.559 1.00 0.00 H new ATOM 1504 N GLU A 95 17.729 -5.323 -1.761 1.00 0.00 N ATOM 1505 CA GLU A 95 17.024 -4.666 -2.856 1.00 0.00 C ATOM 1506 C GLU A 95 16.517 -3.291 -2.435 1.00 0.00 C ATOM 1507 O GLU A 95 16.256 -3.047 -1.258 1.00 0.00 O ATOM 1508 CB GLU A 95 15.854 -5.531 -3.337 1.00 0.00 C ATOM 1509 CG GLU A 95 15.127 -6.263 -2.219 1.00 0.00 C ATOM 1510 CD GLU A 95 14.174 -5.367 -1.452 1.00 0.00 C ATOM 1511 OE1 GLU A 95 13.994 -4.201 -1.862 1.00 0.00 O ATOM 1512 OE2 GLU A 95 13.609 -5.831 -0.439 1.00 0.00 O ATOM 0 H GLU A 95 17.365 -5.106 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 95 17.729 -4.536 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.142 -4.899 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.227 -6.262 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.571 -7.100 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.859 -6.682 -1.529 1.00 0.00 H new ATOM 1519 N ASP A 96 16.380 -2.395 -3.410 1.00 0.00 N ATOM 1520 CA ASP A 96 15.902 -1.043 -3.144 1.00 0.00 C ATOM 1521 C ASP A 96 14.401 -0.932 -3.395 1.00 0.00 C ATOM 1522 O ASP A 96 13.892 0.148 -3.699 1.00 0.00 O ATOM 1523 CB ASP A 96 16.653 -0.035 -4.016 1.00 0.00 C ATOM 1524 CG ASP A 96 16.960 1.254 -3.278 1.00 0.00 C ATOM 1525 OD1 ASP A 96 17.188 1.195 -2.052 1.00 0.00 O ATOM 1526 OD2 ASP A 96 16.972 2.321 -3.927 1.00 0.00 O ATOM 0 H ASP A 96 16.593 -2.582 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 96 16.091 -0.819 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 96 17.584 -0.482 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.058 0.189 -4.901 1.00 0.00 H new ATOM 1531 N THR A 97 13.697 -2.052 -3.264 1.00 0.00 N ATOM 1532 CA THR A 97 12.254 -2.080 -3.473 1.00 0.00 C ATOM 1533 C THR A 97 11.901 -1.745 -4.920 1.00 0.00 C ATOM 1534 O THR A 97 12.383 -0.758 -5.476 1.00 0.00 O ATOM 1535 CB THR A 97 11.559 -1.100 -2.523 1.00 0.00 C ATOM 1536 OG1 THR A 97 12.425 -0.729 -1.464 1.00 0.00 O ATOM 1537 CG2 THR A 97 10.295 -1.660 -1.906 1.00 0.00 C ATOM 0 H THR A 97 14.103 -2.953 -3.014 1.00 0.00 H new ATOM 0 HA THR A 97 11.904 -3.090 -3.261 1.00 0.00 H new ATOM 0 HB THR A 97 11.295 -0.240 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.964 -0.102 -0.869 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.853 -0.916 -1.244 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.586 -1.912 -2.695 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.535 -2.557 -1.335 1.00 0.00 H new ATOM 1545 N GLY A 98 11.052 -2.573 -5.519 1.00 0.00 N ATOM 1546 CA GLY A 98 10.639 -2.356 -6.893 1.00 0.00 C ATOM 1547 C GLY A 98 9.905 -1.045 -7.084 1.00 0.00 C ATOM 1548 O GLY A 98 9.856 -0.504 -8.189 1.00 0.00 O ATOM 0 H GLY A 98 10.641 -3.394 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.517 -2.373 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.995 -3.177 -7.208 1.00 0.00 H new ATOM 1552 N ILE A 99 9.325 -0.541 -6.004 1.00 0.00 N ATOM 1553 CA ILE A 99 8.577 0.716 -6.048 1.00 0.00 C ATOM 1554 C ILE A 99 9.483 1.899 -6.342 1.00 0.00 C ATOM 1555 O ILE A 99 10.601 1.987 -5.833 1.00 0.00 O ATOM 1556 CB ILE A 99 7.818 1.027 -4.737 1.00 0.00 C ATOM 1557 CG1 ILE A 99 8.399 0.255 -3.548 1.00 0.00 C ATOM 1558 CG2 ILE A 99 6.336 0.739 -4.890 1.00 0.00 C ATOM 1559 CD1 ILE A 99 7.853 0.707 -2.211 1.00 0.00 C ATOM 0 H ILE A 99 9.356 -0.981 -5.084 1.00 0.00 H new ATOM 0 HA ILE A 99 7.853 0.574 -6.851 1.00 0.00 H new ATOM 0 HB ILE A 99 7.945 2.090 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.190 -0.807 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.483 0.368 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.823 0.965 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.926 1.358 -5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.193 -0.313 -5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.308 0.118 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.086 1.761 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.772 0.568 -2.194 1.00 0.00 H new ATOM 1571 N LYS A 100 8.976 2.820 -7.149 1.00 0.00 N ATOM 1572 CA LYS A 100 9.718 4.023 -7.498 1.00 0.00 C ATOM 1573 C LYS A 100 9.660 5.019 -6.345 1.00 0.00 C ATOM 1574 O LYS A 100 10.614 5.752 -6.089 1.00 0.00 O ATOM 1575 CB LYS A 100 9.146 4.655 -8.768 1.00 0.00 C ATOM 1576 CG LYS A 100 10.209 5.094 -9.763 1.00 0.00 C ATOM 1577 CD LYS A 100 10.998 6.287 -9.249 1.00 0.00 C ATOM 1578 CE LYS A 100 10.234 7.587 -9.440 1.00 0.00 C ATOM 1579 NZ LYS A 100 10.475 8.181 -10.783 1.00 0.00 N ATOM 0 H LYS A 100 8.052 2.757 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 100 10.757 3.752 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.481 3.940 -9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.540 5.518 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.889 4.265 -9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.737 5.351 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.222 6.148 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.953 6.345 -9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.167 7.403 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.531 8.299 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.936 9.066 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.489 8.380 -10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.168 7.513 -11.518 1.00 0.00 H new ATOM 1593 N ASN A 101 8.528 5.027 -5.645 1.00 0.00 N ATOM 1594 CA ASN A 101 8.331 5.917 -4.508 1.00 0.00 C ATOM 1595 C ASN A 101 7.380 5.292 -3.489 1.00 0.00 C ATOM 1596 O ASN A 101 6.257 4.912 -3.820 1.00 0.00 O ATOM 1597 CB ASN A 101 7.787 7.269 -4.979 1.00 0.00 C ATOM 1598 CG ASN A 101 8.668 8.426 -4.550 1.00 0.00 C ATOM 1599 OD1 ASN A 101 8.179 9.447 -4.064 1.00 0.00 O ATOM 1600 ND2 ASN A 101 9.974 8.273 -4.729 1.00 0.00 N ATOM 0 H ASN A 101 7.731 4.424 -5.848 1.00 0.00 H new ATOM 0 HA ASN A 101 9.296 6.074 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.701 7.265 -6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.783 7.413 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.616 9.018 -4.460 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.335 7.410 -5.135 1.00 0.00 H new ATOM 1607 N ILE A 102 7.845 5.188 -2.248 1.00 0.00 N ATOM 1608 CA ILE A 102 7.053 4.606 -1.171 1.00 0.00 C ATOM 1609 C ILE A 102 6.476 5.690 -0.256 1.00 0.00 C ATOM 1610 O ILE A 102 7.166 6.640 0.114 1.00 0.00 O ATOM 1611 CB ILE A 102 7.891 3.616 -0.342 1.00 0.00 C ATOM 1612 CG1 ILE A 102 7.007 2.882 0.664 1.00 0.00 C ATOM 1613 CG2 ILE A 102 9.029 4.336 0.365 1.00 0.00 C ATOM 1614 CD1 ILE A 102 7.612 1.590 1.167 1.00 0.00 C ATOM 0 H ILE A 102 8.773 5.502 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 102 6.226 4.066 -1.633 1.00 0.00 H new ATOM 0 HB ILE A 102 8.325 2.880 -1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.813 3.538 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.044 2.667 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.609 3.618 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.674 4.811 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.621 5.096 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.931 1.122 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.780 0.916 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.562 1.800 1.659 1.00 0.00 H new ATOM 1626 N MET A 103 5.198 5.541 0.081 1.00 0.00 N ATOM 1627 CA MET A 103 4.508 6.504 0.929 1.00 0.00 C ATOM 1628 C MET A 103 3.572 5.810 1.918 1.00 0.00 C ATOM 1629 O MET A 103 3.327 4.610 1.821 1.00 0.00 O ATOM 1630 CB MET A 103 3.709 7.477 0.056 1.00 0.00 C ATOM 1631 CG MET A 103 4.569 8.526 -0.629 1.00 0.00 C ATOM 1632 SD MET A 103 5.127 8.007 -2.264 1.00 0.00 S ATOM 1633 CE MET A 103 4.095 9.025 -3.316 1.00 0.00 C ATOM 0 H MET A 103 4.618 4.758 -0.223 1.00 0.00 H new ATOM 0 HA MET A 103 5.258 7.049 1.502 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.168 6.911 -0.702 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.963 7.977 0.673 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.002 9.452 -0.720 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.436 8.743 -0.005 1.00 0.00 H new ATOM 0 HE1 MET A 103 4.324 8.817 -4.361 1.00 0.00 H new ATOM 0 HE2 MET A 103 3.046 8.801 -3.123 1.00 0.00 H new ATOM 0 HE3 MET A 103 4.286 10.077 -3.105 1.00 0.00 H new ATOM 1643 N ILE A 104 3.044 6.584 2.866 1.00 0.00 N ATOM 1644 CA ILE A 104 2.121 6.044 3.860 1.00 0.00 C ATOM 1645 C ILE A 104 0.783 6.789 3.812 1.00 0.00 C ATOM 1646 O ILE A 104 0.721 8.002 3.995 1.00 0.00 O ATOM 1647 CB ILE A 104 2.712 6.083 5.302 1.00 0.00 C ATOM 1648 CG1 ILE A 104 1.597 6.172 6.353 1.00 0.00 C ATOM 1649 CG2 ILE A 104 3.701 7.230 5.477 1.00 0.00 C ATOM 1650 CD1 ILE A 104 2.088 6.011 7.776 1.00 0.00 C ATOM 0 H ILE A 104 3.239 7.580 2.965 1.00 0.00 H new ATOM 0 HA ILE A 104 1.957 4.997 3.607 1.00 0.00 H new ATOM 0 HB ILE A 104 3.255 5.150 5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.096 7.135 6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.852 5.404 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.090 7.223 6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.524 7.111 4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.196 8.178 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.245 6.085 8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.563 5.036 7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.810 6.795 8.003 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.285 6.039 3.561 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.628 6.610 3.482 1.00 0.00 C ATOM 1664 C LEU A 105 -2.266 6.719 4.863 1.00 0.00 C ATOM 1665 O LEU A 105 -2.123 5.828 5.700 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.529 5.814 2.512 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.912 4.378 2.907 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -1.684 3.499 3.063 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.756 4.357 4.171 1.00 0.00 C ATOM 0 H LEU A 105 -0.248 5.031 3.408 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.528 7.619 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.450 6.379 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.027 5.773 1.545 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.514 3.969 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.991 2.491 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.139 3.464 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.039 3.910 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.009 3.327 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.194 4.803 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.671 4.926 4.007 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.951 7.832 5.102 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.600 8.069 6.386 1.00 0.00 C ATOM 1683 C GLU A 106 -5.076 7.675 6.344 1.00 0.00 C ATOM 1684 O GLU A 106 -5.595 7.086 7.292 1.00 0.00 O ATOM 1685 CB GLU A 106 -3.459 9.540 6.787 1.00 0.00 C ATOM 1686 CG GLU A 106 -4.047 10.512 5.778 1.00 0.00 C ATOM 1687 CD GLU A 106 -5.418 11.016 6.185 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -5.638 11.223 7.397 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -6.272 11.201 5.293 1.00 0.00 O ATOM 0 H GLU A 106 -3.071 8.584 4.423 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.106 7.446 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.946 9.692 7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.402 9.769 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.372 11.360 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.117 10.023 4.806 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.747 7.999 5.242 1.00 0.00 N ATOM 1697 CA ARG A 107 -7.162 7.672 5.086 1.00 0.00 C ATOM 1698 C ARG A 107 -7.343 6.196 4.749 1.00 0.00 C ATOM 1699 O ARG A 107 -7.916 5.438 5.529 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.792 8.542 3.998 1.00 0.00 C ATOM 1701 CG ARG A 107 -9.238 8.916 4.279 1.00 0.00 C ATOM 1702 CD ARG A 107 -9.528 10.356 3.890 1.00 0.00 C ATOM 1703 NE ARG A 107 -9.095 11.299 4.919 1.00 0.00 N ATOM 1704 CZ ARG A 107 -9.536 12.552 5.010 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -10.423 13.016 4.139 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -9.089 13.343 5.976 1.00 0.00 N ATOM 0 H ARG A 107 -5.336 8.486 4.446 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.664 7.873 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.205 9.454 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -7.741 8.013 3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.901 8.249 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.452 8.774 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.024 10.587 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -10.597 10.476 3.715 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.415 10.978 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.771 12.412 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.757 13.977 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.408 12.991 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.426 14.303 6.046 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.842 5.792 3.586 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.946 4.405 3.166 1.00 0.00 C ATOM 1722 C GLY A 108 -8.329 3.806 3.365 1.00 0.00 C ATOM 1723 O GLY A 108 -9.223 3.999 2.542 1.00 0.00 O ATOM 0 H GLY A 108 -6.364 6.403 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.677 4.333 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.220 3.811 3.721 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.490 3.063 4.457 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.758 2.406 4.768 1.00 0.00 C ATOM 1729 C PHE A 109 -10.599 3.226 5.745 1.00 0.00 C ATOM 1730 O PHE A 109 -11.799 2.994 5.889 1.00 0.00 O ATOM 1731 CB PHE A 109 -9.492 1.019 5.361 1.00 0.00 C ATOM 1732 CG PHE A 109 -9.009 -0.004 4.364 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.137 0.206 2.997 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -8.426 -1.182 4.802 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -8.691 -0.738 2.092 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -7.979 -2.128 3.901 1.00 0.00 C ATOM 1737 CZ PHE A 109 -8.111 -1.907 2.545 1.00 0.00 C ATOM 0 H PHE A 109 -7.755 2.900 5.145 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.319 2.314 3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -8.751 1.113 6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -10.409 0.653 5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.590 1.118 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.320 -1.363 5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -8.796 -0.562 1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.526 -3.041 4.257 1.00 0.00 H new ATOM 0 HZ PHE A 109 -7.762 -2.646 1.840 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.962 4.180 6.418 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.655 5.021 7.383 1.00 0.00 C ATOM 1749 C ASN A 110 -11.820 5.744 6.726 1.00 0.00 C ATOM 1750 O ASN A 110 -12.896 5.855 7.303 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.686 6.035 7.993 1.00 0.00 C ATOM 1752 CG ASN A 110 -10.103 6.474 9.384 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -10.377 7.651 9.620 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -10.151 5.527 10.314 1.00 0.00 N ATOM 0 H ASN A 110 -8.969 4.388 6.312 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.046 4.383 8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.688 5.598 8.037 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.623 6.908 7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.423 5.763 11.268 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.916 4.564 10.074 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.599 6.224 5.513 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.644 6.917 4.796 1.00 0.00 C ATOM 1763 C GLY A 111 -13.792 6.000 4.431 1.00 0.00 C ATOM 1764 O GLY A 111 -14.952 6.413 4.460 1.00 0.00 O ATOM 0 H GLY A 111 -10.714 6.145 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.018 7.739 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.230 7.357 3.889 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.479 4.752 4.078 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.521 3.802 3.704 1.00 0.00 C ATOM 1770 C TRP A 112 -15.405 3.465 4.899 1.00 0.00 C ATOM 1771 O TRP A 112 -16.616 3.613 4.834 1.00 0.00 O ATOM 1772 CB TRP A 112 -13.888 2.520 3.146 1.00 0.00 C ATOM 1773 CG TRP A 112 -14.409 1.308 3.833 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -15.717 1.033 4.059 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -13.658 0.238 4.410 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -15.839 -0.110 4.773 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -14.588 -0.642 4.990 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -12.298 -0.063 4.496 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -14.200 -1.805 5.654 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -11.913 -1.219 5.151 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -12.861 -2.077 5.722 1.00 0.00 C ATOM 0 H TRP A 112 -12.529 4.383 4.044 1.00 0.00 H new ATOM 0 HA TRP A 112 -15.142 4.262 2.935 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -14.091 2.449 2.077 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -12.805 2.568 3.262 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -16.543 1.639 3.718 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -16.718 -0.513 5.098 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -11.560 0.594 4.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -14.929 -2.466 6.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -10.864 -1.464 5.223 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -12.528 -2.972 6.227 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.807 3.006 5.985 1.00 0.00 N ATOM 1793 CA GLU A 113 -15.590 2.649 7.164 1.00 0.00 C ATOM 1794 C GLU A 113 -16.234 3.887 7.787 1.00 0.00 C ATOM 1795 O GLU A 113 -17.428 3.900 8.085 1.00 0.00 O ATOM 1796 CB GLU A 113 -14.737 1.921 8.220 1.00 0.00 C ATOM 1797 CG GLU A 113 -13.246 1.878 7.918 1.00 0.00 C ATOM 1798 CD GLU A 113 -12.452 1.172 9.000 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -12.719 -0.023 9.246 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -11.566 1.813 9.601 1.00 0.00 O ATOM 0 H GLU A 113 -13.800 2.872 6.079 1.00 0.00 H new ATOM 0 HA GLU A 113 -16.373 1.968 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -14.884 2.408 9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -15.103 0.899 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.086 1.371 6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.873 2.896 7.804 1.00 0.00 H new ATOM 1807 N ALA A 114 -15.418 4.909 8.004 1.00 0.00 N ATOM 1808 CA ALA A 114 -15.866 6.154 8.622 1.00 0.00 C ATOM 1809 C ALA A 114 -16.846 6.954 7.769 1.00 0.00 C ATOM 1810 O ALA A 114 -17.883 7.397 8.264 1.00 0.00 O ATOM 1811 CB ALA A 114 -14.666 7.023 8.928 1.00 0.00 C ATOM 0 H ALA A 114 -14.428 4.901 7.758 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.398 5.868 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.998 7.953 9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.000 6.496 9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.134 7.247 8.004 1.00 0.00 H new ATOM 1817 N SER A 115 -16.507 7.184 6.502 1.00 0.00 N ATOM 1818 CA SER A 115 -17.369 7.986 5.635 1.00 0.00 C ATOM 1819 C SER A 115 -17.874 7.209 4.432 1.00 0.00 C ATOM 1820 O SER A 115 -17.881 7.713 3.308 1.00 0.00 O ATOM 1821 CB SER A 115 -16.633 9.245 5.174 1.00 0.00 C ATOM 1822 OG SER A 115 -15.796 8.969 4.065 1.00 0.00 O ATOM 0 H SER A 115 -15.658 6.834 6.059 1.00 0.00 H new ATOM 0 HA SER A 115 -18.241 8.266 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 115 -17.356 10.015 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 115 -16.035 9.642 5.995 1.00 0.00 H new ATOM 0 HG SER A 115 -15.410 8.073 4.161 1.00 0.00 H new ATOM 1828 N GLY A 116 -18.314 5.992 4.678 1.00 0.00 N ATOM 1829 CA GLY A 116 -18.840 5.168 3.605 1.00 0.00 C ATOM 1830 C GLY A 116 -18.761 3.699 3.929 1.00 0.00 C ATOM 1831 O GLY A 116 -18.346 2.896 3.093 1.00 0.00 O ATOM 0 H GLY A 116 -18.319 5.554 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.878 5.441 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -18.284 5.367 2.689 1.00 0.00 H new ATOM 1835 N LYS A 117 -19.134 3.354 5.161 1.00 0.00 N ATOM 1836 CA LYS A 117 -19.081 1.968 5.629 1.00 0.00 C ATOM 1837 C LYS A 117 -19.347 0.965 4.507 1.00 0.00 C ATOM 1838 O LYS A 117 -18.549 0.056 4.301 1.00 0.00 O ATOM 1839 CB LYS A 117 -20.054 1.733 6.783 1.00 0.00 C ATOM 1840 CG LYS A 117 -19.937 0.344 7.392 1.00 0.00 C ATOM 1841 CD LYS A 117 -18.497 0.007 7.754 1.00 0.00 C ATOM 1842 CE LYS A 117 -18.388 -1.367 8.398 1.00 0.00 C ATOM 1843 NZ LYS A 117 -17.820 -1.294 9.773 1.00 0.00 N ATOM 0 H LYS A 117 -19.477 4.017 5.856 1.00 0.00 H new ATOM 0 HA LYS A 117 -18.065 1.804 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -19.875 2.479 7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.073 1.882 6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -20.560 0.284 8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -20.318 -0.395 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.879 0.039 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.107 0.762 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -19.375 -1.829 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.760 -2.009 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.763 -2.251 10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -16.868 -0.877 9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.432 -0.703 10.371 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.458 1.113 3.756 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.784 0.202 2.653 1.00 0.00 C ATOM 1859 C PRO A 118 -19.554 -0.166 1.823 1.00 0.00 C ATOM 1860 O PRO A 118 -19.197 0.531 0.873 1.00 0.00 O ATOM 1861 CB PRO A 118 -21.772 1.015 1.822 1.00 0.00 C ATOM 1862 CG PRO A 118 -22.478 1.871 2.817 1.00 0.00 C ATOM 1863 CD PRO A 118 -21.479 2.172 3.909 1.00 0.00 C ATOM 0 HA PRO A 118 -21.180 -0.751 3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -21.259 1.618 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -22.469 0.368 1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -22.835 2.791 2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -23.351 1.358 3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -21.046 3.165 3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -21.943 2.141 4.895 1.00 0.00 H new ATOM 1871 N VAL A 119 -18.905 -1.265 2.203 1.00 0.00 N ATOM 1872 CA VAL A 119 -17.708 -1.734 1.515 1.00 0.00 C ATOM 1873 C VAL A 119 -17.994 -3.034 0.759 1.00 0.00 C ATOM 1874 O VAL A 119 -18.835 -3.825 1.186 1.00 0.00 O ATOM 1875 CB VAL A 119 -16.520 -1.927 2.497 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -16.989 -2.458 3.842 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -15.456 -2.842 1.908 1.00 0.00 C ATOM 0 H VAL A 119 -19.192 -1.849 2.989 1.00 0.00 H new ATOM 0 HA VAL A 119 -17.422 -0.966 0.796 1.00 0.00 H new ATOM 0 HB VAL A 119 -16.075 -0.945 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -16.132 -2.581 4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -17.692 -1.753 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -17.480 -3.421 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.639 -2.956 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.892 -3.818 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.074 -2.408 0.984 1.00 0.00 H new ATOM 1887 N CYS A 120 -17.306 -3.237 -0.376 1.00 0.00 N ATOM 1888 CA CYS A 120 -17.501 -4.436 -1.205 1.00 0.00 C ATOM 1889 C CYS A 120 -18.031 -5.620 -0.395 1.00 0.00 C ATOM 1890 O CYS A 120 -17.405 -6.054 0.572 1.00 0.00 O ATOM 1891 CB CYS A 120 -16.190 -4.823 -1.882 1.00 0.00 C ATOM 1892 SG CYS A 120 -16.382 -5.405 -3.582 1.00 0.00 S ATOM 0 H CYS A 120 -16.610 -2.586 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 120 -18.249 -4.189 -1.958 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -15.523 -3.961 -1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -15.707 -5.603 -1.294 1.00 0.00 H new ATOM 0 HG CYS A 120 -16.561 -6.693 -3.582 1.00 0.00 H new ATOM 1897 N ARG A 121 -19.192 -6.132 -0.795 1.00 0.00 N ATOM 1898 CA ARG A 121 -19.811 -7.257 -0.103 1.00 0.00 C ATOM 1899 C ARG A 121 -19.924 -8.478 -1.014 1.00 0.00 C ATOM 1900 O ARG A 121 -21.024 -8.959 -1.293 1.00 0.00 O ATOM 1901 CB ARG A 121 -21.196 -6.865 0.424 1.00 0.00 C ATOM 1902 CG ARG A 121 -21.960 -5.922 -0.493 1.00 0.00 C ATOM 1903 CD ARG A 121 -21.763 -4.469 -0.087 1.00 0.00 C ATOM 1904 NE ARG A 121 -22.948 -3.658 -0.355 1.00 0.00 N ATOM 1905 CZ ARG A 121 -23.240 -3.140 -1.547 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -22.442 -3.352 -2.585 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -24.336 -2.408 -1.701 1.00 0.00 N ATOM 0 H ARG A 121 -19.722 -5.785 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.171 -7.521 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.787 -7.769 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.083 -6.394 1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.626 -6.062 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.022 -6.168 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.523 -4.419 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.911 -4.055 -0.626 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.590 -3.478 0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.599 -3.915 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.672 -2.952 -3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.954 -2.242 -0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.560 -2.011 -2.613 1.00 0.00 H new ATOM 1921 N CYS A 122 -18.780 -8.984 -1.465 1.00 0.00 N ATOM 1922 CA CYS A 122 -18.751 -10.158 -2.332 1.00 0.00 C ATOM 1923 C CYS A 122 -17.554 -11.045 -1.993 1.00 0.00 C ATOM 1924 O CYS A 122 -17.340 -11.387 -0.829 1.00 0.00 O ATOM 1925 CB CYS A 122 -18.713 -9.738 -3.807 1.00 0.00 C ATOM 1926 SG CYS A 122 -17.422 -8.546 -4.220 1.00 0.00 S ATOM 0 H CYS A 122 -17.861 -8.600 -1.245 1.00 0.00 H new ATOM 0 HA CYS A 122 -19.662 -10.733 -2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -18.576 -10.628 -4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -19.680 -9.312 -4.074 1.00 0.00 H new ATOM 0 HG CYS A 122 -16.728 -8.989 -5.226 1.00 0.00 H new ATOM 1931 N ALA A 123 -16.776 -11.416 -3.004 1.00 0.00 N ATOM 1932 CA ALA A 123 -15.608 -12.257 -2.800 1.00 0.00 C ATOM 1933 C ALA A 123 -14.705 -12.179 -4.015 1.00 0.00 C ATOM 1934 O ALA A 123 -13.481 -12.250 -3.907 1.00 0.00 O ATOM 1935 CB ALA A 123 -16.032 -13.695 -2.536 1.00 0.00 C ATOM 0 H ALA A 123 -16.936 -11.145 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 123 -15.057 -11.901 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -15.147 -14.313 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -16.657 -13.732 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -16.596 -14.071 -3.390 1.00 0.00 H new ATOM 1941 N GLU A 124 -15.331 -12.038 -5.174 1.00 0.00 N ATOM 1942 CA GLU A 124 -14.620 -11.955 -6.424 1.00 0.00 C ATOM 1943 C GLU A 124 -15.261 -10.898 -7.332 1.00 0.00 C ATOM 1944 O GLU A 124 -15.743 -9.875 -6.844 1.00 0.00 O ATOM 1945 CB GLU A 124 -14.632 -13.329 -7.070 1.00 0.00 C ATOM 1946 CG GLU A 124 -13.850 -14.373 -6.290 1.00 0.00 C ATOM 1947 CD GLU A 124 -12.912 -15.177 -7.169 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -11.792 -14.694 -7.438 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -13.297 -16.289 -7.589 1.00 0.00 O ATOM 0 H GLU A 124 -16.345 -11.979 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 124 -13.588 -11.648 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -15.664 -13.663 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -14.218 -13.253 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -13.274 -13.880 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -14.547 -15.049 -5.795 1.00 0.00 H new ATOM 1956 N VAL A 125 -15.265 -11.134 -8.649 1.00 0.00 N ATOM 1957 CA VAL A 125 -15.845 -10.184 -9.598 1.00 0.00 C ATOM 1958 C VAL A 125 -15.246 -8.793 -9.399 1.00 0.00 C ATOM 1959 O VAL A 125 -14.464 -8.576 -8.474 1.00 0.00 O ATOM 1960 CB VAL A 125 -17.393 -10.100 -9.484 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -18.049 -10.446 -10.816 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -17.931 -11.004 -8.380 1.00 0.00 C ATOM 0 H VAL A 125 -14.874 -11.973 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.603 -10.553 -10.595 1.00 0.00 H new ATOM 0 HB VAL A 125 -17.643 -9.072 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -19.132 -10.382 -10.716 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -17.713 -9.745 -11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -17.771 -11.459 -11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -19.016 -10.915 -8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -17.660 -12.038 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.502 -10.705 -7.424 1.00 0.00 H new ATOM 1972 N PRO A 126 -15.595 -7.829 -10.269 1.00 0.00 N ATOM 1973 CA PRO A 126 -15.079 -6.460 -10.177 1.00 0.00 C ATOM 1974 C PRO A 126 -15.424 -5.802 -8.846 1.00 0.00 C ATOM 1975 O PRO A 126 -16.307 -4.947 -8.776 1.00 0.00 O ATOM 1976 CB PRO A 126 -15.777 -5.727 -11.330 1.00 0.00 C ATOM 1977 CG PRO A 126 -16.210 -6.803 -12.266 1.00 0.00 C ATOM 1978 CD PRO A 126 -16.508 -7.998 -11.410 1.00 0.00 C ATOM 0 HA PRO A 126 -13.991 -6.434 -10.239 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -16.629 -5.149 -10.972 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -15.100 -5.027 -11.820 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -17.091 -6.498 -12.831 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -15.428 -7.028 -12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -17.551 -8.016 -11.092 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -16.320 -8.931 -11.941 1.00 0.00 H new ATOM 1986 N CYS A 127 -14.725 -6.211 -7.786 1.00 0.00 N ATOM 1987 CA CYS A 127 -14.958 -5.665 -6.449 1.00 0.00 C ATOM 1988 C CYS A 127 -15.196 -4.156 -6.501 1.00 0.00 C ATOM 1989 O CYS A 127 -16.341 -3.708 -6.551 1.00 0.00 O ATOM 1990 CB CYS A 127 -13.778 -5.985 -5.529 1.00 0.00 C ATOM 1991 SG CYS A 127 -13.827 -7.647 -4.820 1.00 0.00 S ATOM 0 H CYS A 127 -13.992 -6.919 -7.828 1.00 0.00 H new ATOM 0 HA CYS A 127 -15.856 -6.134 -6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -12.851 -5.868 -6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -13.754 -5.256 -4.719 1.00 0.00 H new ATOM 0 HG CYS A 127 -14.289 -7.588 -3.606 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.120 -3.374 -6.502 1.00 0.00 N ATOM 1997 CA LYS A 128 -14.248 -1.921 -6.562 1.00 0.00 C ATOM 1998 C LYS A 128 -13.235 -1.301 -7.494 1.00 0.00 C ATOM 1999 O LYS A 128 -13.541 -0.336 -8.196 1.00 0.00 O ATOM 2000 CB LYS A 128 -14.058 -1.268 -5.177 1.00 0.00 C ATOM 2001 CG LYS A 128 -15.012 -1.791 -4.114 1.00 0.00 C ATOM 2002 CD LYS A 128 -16.461 -1.703 -4.567 1.00 0.00 C ATOM 2003 CE LYS A 128 -17.315 -0.937 -3.570 1.00 0.00 C ATOM 2004 NZ LYS A 128 -18.762 -1.003 -3.914 1.00 0.00 N ATOM 0 H LYS A 128 -13.160 -3.717 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.257 -1.736 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -13.033 -1.434 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -14.191 -0.190 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -14.766 -2.827 -3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -14.882 -1.219 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.509 -1.213 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.864 -2.708 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.160 -1.344 -2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -16.995 0.105 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.311 -0.469 -3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.914 -0.591 -4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -19.074 -1.995 -3.915 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.991 -1.769 -7.418 1.00 0.00 N ATOM 2019 CA GLY A 129 -10.951 -1.124 -8.185 1.00 0.00 C ATOM 2020 C GLY A 129 -10.841 0.288 -7.664 1.00 0.00 C ATOM 2021 O GLY A 129 -10.257 1.179 -8.282 1.00 0.00 O ATOM 0 H GLY A 129 -11.694 -2.564 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -10.004 -1.652 -8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -11.195 -1.127 -9.247 1.00 0.00 H new