USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 THR OG1 : rot 26:sc= 0.981 USER MOD Set 1.2: A 59 TYR OH : rot -156:sc= 0.753 USER MOD Set 2.1: A 44 SER OG : rot 180:sc= -0.0663 USER MOD Set 2.2: A 51 ASN : amide:sc= -4.47! C(o=-4.5!,f=-9.6!) USER MOD Set 3.1: A 19 MET CE :methyl 162:sc= -0.0256 (180deg=-0.331) USER MOD Set 3.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 6 SER OG : rot 180:sc= 0.035 USER MOD Set 4.2: A 62 HIS : +bothHN:sc= -0.751 K(o=-0.72,f=-7.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -2 F(o=-3.6!,f=-2) USER MOD Single : A 9 CYS SG : rot -70:sc= -1.43 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 0.339 (180deg=0.278) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0.285 (180deg=0.22) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= -0.02 (180deg=-0.719) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 140:sc= -0.324 (180deg=-2.44!) USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= 0.0681 (180deg=0.0105) USER MOD Single : A 73 MET CE :methyl -173:sc= 0 (180deg=-0.0763) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 82 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-1.8!) USER MOD Single : A 83 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.31) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 45:sc= 0.702 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.825 9.948 1.551 1.00 0.00 N ATOM 2 CA GLY A 1 -13.650 10.263 2.343 1.00 0.00 C ATOM 3 C GLY A 1 -13.954 11.230 3.470 1.00 0.00 C ATOM 4 O GLY A 1 -14.425 12.342 3.233 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.566 9.284 0.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.548 9.514 2.160 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.205 10.820 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.238 9.343 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.884 10.692 1.697 1.00 0.00 H new ATOM 8 N SER A 2 -13.684 10.805 4.700 1.00 0.00 N ATOM 9 CA SER A 2 -13.937 11.640 5.869 1.00 0.00 C ATOM 10 C SER A 2 -12.693 12.442 6.242 1.00 0.00 C ATOM 11 O SER A 2 -11.592 11.898 6.325 1.00 0.00 O ATOM 12 CB SER A 2 -14.375 10.776 7.054 1.00 0.00 C ATOM 13 OG SER A 2 -15.157 11.525 7.969 1.00 0.00 O ATOM 0 H SER A 2 -13.290 9.888 4.913 1.00 0.00 H new ATOM 0 HA SER A 2 -14.738 12.337 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.949 9.923 6.693 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.497 10.378 7.562 1.00 0.00 H new ATOM 0 HG SER A 2 -15.426 10.951 8.716 1.00 0.00 H new ATOM 19 N SER A 3 -12.879 13.739 6.467 1.00 0.00 N ATOM 20 CA SER A 3 -11.773 14.618 6.827 1.00 0.00 C ATOM 21 C SER A 3 -10.910 13.988 7.916 1.00 0.00 C ATOM 22 O SER A 3 -11.344 13.074 8.616 1.00 0.00 O ATOM 23 CB SER A 3 -12.304 15.972 7.302 1.00 0.00 C ATOM 24 OG SER A 3 -12.745 16.759 6.209 1.00 0.00 O ATOM 0 H SER A 3 -13.785 14.204 6.406 1.00 0.00 H new ATOM 0 HA SER A 3 -11.157 14.767 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.128 15.819 7.999 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.522 16.503 7.844 1.00 0.00 H new ATOM 0 HG SER A 3 -13.081 17.618 6.539 1.00 0.00 H new ATOM 30 N GLY A 4 -9.684 14.484 8.053 1.00 0.00 N ATOM 31 CA GLY A 4 -8.779 13.958 9.058 1.00 0.00 C ATOM 32 C GLY A 4 -7.339 14.362 8.809 1.00 0.00 C ATOM 33 O GLY A 4 -6.977 14.740 7.695 1.00 0.00 O ATOM 0 H GLY A 4 -9.302 15.241 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.088 14.312 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.851 12.870 9.074 1.00 0.00 H new ATOM 37 N SER A 5 -6.516 14.284 9.850 1.00 0.00 N ATOM 38 CA SER A 5 -5.109 14.650 9.741 1.00 0.00 C ATOM 39 C SER A 5 -4.211 13.459 10.065 1.00 0.00 C ATOM 40 O SER A 5 -4.006 13.122 11.231 1.00 0.00 O ATOM 41 CB SER A 5 -4.789 15.814 10.680 1.00 0.00 C ATOM 42 OG SER A 5 -5.368 17.020 10.212 1.00 0.00 O ATOM 0 H SER A 5 -6.800 13.971 10.778 1.00 0.00 H new ATOM 0 HA SER A 5 -4.918 14.958 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.162 15.592 11.680 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.709 15.933 10.762 1.00 0.00 H new ATOM 0 HG SER A 5 -5.151 17.749 10.830 1.00 0.00 H new ATOM 48 N SER A 6 -3.679 12.827 9.024 1.00 0.00 N ATOM 49 CA SER A 6 -2.807 11.671 9.196 1.00 0.00 C ATOM 50 C SER A 6 -1.879 11.508 7.996 1.00 0.00 C ATOM 51 O SER A 6 -2.327 11.247 6.881 1.00 0.00 O ATOM 52 CB SER A 6 -3.638 10.402 9.388 1.00 0.00 C ATOM 53 OG SER A 6 -4.512 10.193 8.292 1.00 0.00 O ATOM 0 H SER A 6 -3.836 13.096 8.053 1.00 0.00 H new ATOM 0 HA SER A 6 -2.198 11.835 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.976 9.543 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.216 10.478 10.309 1.00 0.00 H new ATOM 0 HG SER A 6 -5.031 9.375 8.439 1.00 0.00 H new ATOM 59 N GLY A 7 -0.580 11.664 8.235 1.00 0.00 N ATOM 60 CA GLY A 7 0.392 11.531 7.165 1.00 0.00 C ATOM 61 C GLY A 7 0.643 10.085 6.786 1.00 0.00 C ATOM 62 O GLY A 7 0.393 9.682 5.651 1.00 0.00 O ATOM 0 H GLY A 7 -0.184 11.880 9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.041 12.077 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.331 11.991 7.472 1.00 0.00 H new ATOM 66 N ASN A 8 1.141 9.303 7.739 1.00 0.00 N ATOM 67 CA ASN A 8 1.428 7.894 7.498 1.00 0.00 C ATOM 68 C ASN A 8 0.240 7.202 6.836 1.00 0.00 C ATOM 69 O ASN A 8 -0.793 6.979 7.468 1.00 0.00 O ATOM 70 CB ASN A 8 1.774 7.191 8.812 1.00 0.00 C ATOM 71 CG ASN A 8 1.649 5.683 8.711 1.00 0.00 C ATOM 72 OD1 ASN A 8 0.477 5.162 9.058 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 2.595 4.995 8.327 1.00 0.00 N flip ATOM 0 H ASN A 8 1.354 9.621 8.684 1.00 0.00 H new ATOM 0 HA ASN A 8 2.283 7.833 6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.792 7.450 9.102 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.115 7.556 9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.477 5.438 8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.497 3.982 8.265 1.00 0.00 H new ATOM 80 N CYS A 9 0.395 6.865 5.560 1.00 0.00 N ATOM 81 CA CYS A 9 -0.664 6.198 4.811 1.00 0.00 C ATOM 82 C CYS A 9 -0.095 5.085 3.938 1.00 0.00 C ATOM 83 O CYS A 9 0.818 5.312 3.144 1.00 0.00 O ATOM 84 CB CYS A 9 -1.418 7.208 3.945 1.00 0.00 C ATOM 85 SG CYS A 9 -0.657 7.511 2.333 1.00 0.00 S ATOM 0 H CYS A 9 1.244 7.043 5.023 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.357 5.755 5.526 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.437 6.851 3.793 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.489 8.152 4.485 1.00 0.00 H new ATOM 0 HG CYS A 9 0.450 8.174 2.493 1.00 0.00 H new ATOM 91 N ARG A 10 -0.639 3.883 4.091 1.00 0.00 N ATOM 92 CA ARG A 10 -0.184 2.734 3.318 1.00 0.00 C ATOM 93 C ARG A 10 -1.362 2.011 2.671 1.00 0.00 C ATOM 94 O ARG A 10 -2.475 2.018 3.200 1.00 0.00 O ATOM 95 CB ARG A 10 0.592 1.766 4.212 1.00 0.00 C ATOM 96 CG ARG A 10 2.064 2.116 4.356 1.00 0.00 C ATOM 97 CD ARG A 10 2.785 1.135 5.267 1.00 0.00 C ATOM 98 NE ARG A 10 2.755 1.562 6.664 1.00 0.00 N ATOM 99 CZ ARG A 10 2.940 0.737 7.688 1.00 0.00 C ATOM 100 NH1 ARG A 10 3.168 -0.552 7.474 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.899 1.201 8.931 1.00 0.00 N ATOM 0 H ARG A 10 -1.396 3.679 4.744 1.00 0.00 H new ATOM 0 HA ARG A 10 0.474 3.098 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.133 1.750 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.505 0.759 3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.536 2.116 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.161 3.125 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.323 0.152 5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.820 1.032 4.942 1.00 0.00 H new ATOM 0 HE ARG A 10 2.583 2.547 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.202 -0.913 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.310 -1.183 8.263 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.725 2.192 9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.041 0.567 9.717 1.00 0.00 H new ATOM 115 N LEU A 11 -1.111 1.390 1.524 1.00 0.00 N ATOM 116 CA LEU A 11 -2.151 0.663 0.804 1.00 0.00 C ATOM 117 C LEU A 11 -1.973 -0.844 0.964 1.00 0.00 C ATOM 118 O LEU A 11 -0.857 -1.359 0.887 1.00 0.00 O ATOM 119 CB LEU A 11 -2.128 1.036 -0.679 1.00 0.00 C ATOM 120 CG LEU A 11 -2.771 2.375 -1.044 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.988 2.471 -2.546 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.086 2.556 -0.300 1.00 0.00 C ATOM 0 H LEU A 11 -0.197 1.375 1.072 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.115 0.943 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.091 1.051 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.632 0.249 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.094 3.175 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.446 3.430 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.029 2.388 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.644 1.664 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.529 3.514 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.770 1.751 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.902 2.533 0.774 1.00 0.00 H new ATOM 134 N PHE A 12 -3.080 -1.545 1.184 1.00 0.00 N ATOM 135 CA PHE A 12 -3.046 -2.993 1.353 1.00 0.00 C ATOM 136 C PHE A 12 -3.076 -3.700 0.001 1.00 0.00 C ATOM 137 O PHE A 12 -4.129 -3.813 -0.629 1.00 0.00 O ATOM 138 CB PHE A 12 -4.227 -3.456 2.209 1.00 0.00 C ATOM 139 CG PHE A 12 -4.247 -4.938 2.451 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.884 -5.789 1.563 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.629 -5.480 3.566 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.906 -7.154 1.783 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.647 -6.844 3.792 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.285 -7.682 2.899 1.00 0.00 C ATOM 0 H PHE A 12 -4.011 -1.134 1.249 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.116 -3.252 1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.195 -2.940 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.156 -3.163 1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.369 -5.382 0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.127 -4.830 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.408 -7.806 1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.163 -7.254 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.299 -8.748 3.072 1.00 0.00 H new ATOM 154 N ILE A 13 -1.915 -4.172 -0.440 1.00 0.00 N ATOM 155 CA ILE A 13 -1.808 -4.867 -1.716 1.00 0.00 C ATOM 156 C ILE A 13 -1.701 -6.375 -1.514 1.00 0.00 C ATOM 157 O ILE A 13 -0.722 -6.869 -0.958 1.00 0.00 O ATOM 158 CB ILE A 13 -0.589 -4.381 -2.522 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.443 -2.863 -2.401 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.720 -4.791 -3.981 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.697 -2.103 -2.774 1.00 0.00 C ATOM 0 H ILE A 13 -1.035 -4.086 0.068 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.716 -4.641 -2.275 1.00 0.00 H new ATOM 0 HB ILE A 13 0.307 -4.848 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.168 -2.613 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.376 -2.533 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.149 -4.440 -4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.780 -5.877 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.623 -4.350 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.520 -1.033 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.962 -2.323 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.514 -2.405 -2.118 1.00 0.00 H new ATOM 173 N GLY A 14 -2.717 -7.101 -1.972 1.00 0.00 N ATOM 174 CA GLY A 14 -2.717 -8.546 -1.833 1.00 0.00 C ATOM 175 C GLY A 14 -2.889 -9.256 -3.161 1.00 0.00 C ATOM 176 O GLY A 14 -3.602 -8.776 -4.041 1.00 0.00 O ATOM 0 H GLY A 14 -3.539 -6.715 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.781 -8.864 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.520 -8.843 -1.159 1.00 0.00 H new ATOM 180 N GLY A 15 -2.233 -10.403 -3.307 1.00 0.00 N ATOM 181 CA GLY A 15 -2.329 -11.160 -4.541 1.00 0.00 C ATOM 182 C GLY A 15 -1.089 -11.025 -5.403 1.00 0.00 C ATOM 183 O GLY A 15 -1.119 -11.326 -6.596 1.00 0.00 O ATOM 0 H GLY A 15 -1.637 -10.821 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.492 -12.212 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.198 -10.821 -5.105 1.00 0.00 H new ATOM 187 N ILE A 16 0.002 -10.569 -4.798 1.00 0.00 N ATOM 188 CA ILE A 16 1.257 -10.394 -5.519 1.00 0.00 C ATOM 189 C ILE A 16 2.139 -11.632 -5.397 1.00 0.00 C ATOM 190 O ILE A 16 2.084 -12.369 -4.412 1.00 0.00 O ATOM 191 CB ILE A 16 2.036 -9.169 -5.003 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.421 -9.364 -3.535 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.210 -7.904 -5.176 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.416 -8.343 -3.030 1.00 0.00 C ATOM 0 H ILE A 16 0.043 -10.314 -3.811 1.00 0.00 H new ATOM 0 HA ILE A 16 1.000 -10.236 -6.566 1.00 0.00 H new ATOM 0 HB ILE A 16 2.950 -9.065 -5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.521 -9.316 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.840 -10.362 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.774 -7.048 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.982 -7.760 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.281 -7.996 -4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.643 -8.543 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.332 -8.406 -3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.992 -7.343 -3.125 1.00 0.00 H new ATOM 206 N PRO A 17 2.974 -11.867 -6.420 1.00 0.00 N ATOM 207 CA PRO A 17 3.886 -13.014 -6.450 1.00 0.00 C ATOM 208 C PRO A 17 5.013 -12.885 -5.431 1.00 0.00 C ATOM 209 O PRO A 17 5.649 -11.837 -5.323 1.00 0.00 O ATOM 210 CB PRO A 17 4.446 -12.985 -7.874 1.00 0.00 C ATOM 211 CG PRO A 17 4.328 -11.562 -8.298 1.00 0.00 C ATOM 212 CD PRO A 17 3.093 -11.030 -7.626 1.00 0.00 C ATOM 0 HA PRO A 17 3.379 -13.945 -6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.483 -13.321 -7.899 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.882 -13.643 -8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.209 -10.993 -8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.247 -11.483 -9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.196 -9.974 -7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.216 -11.121 -8.267 1.00 0.00 H new ATOM 220 N LYS A 18 5.257 -13.958 -4.686 1.00 0.00 N ATOM 221 CA LYS A 18 6.309 -13.967 -3.677 1.00 0.00 C ATOM 222 C LYS A 18 7.678 -13.755 -4.316 1.00 0.00 C ATOM 223 O LYS A 18 8.450 -12.901 -3.882 1.00 0.00 O ATOM 224 CB LYS A 18 6.293 -15.288 -2.905 1.00 0.00 C ATOM 225 CG LYS A 18 4.960 -15.591 -2.244 1.00 0.00 C ATOM 226 CD LYS A 18 4.713 -17.087 -2.144 1.00 0.00 C ATOM 227 CE LYS A 18 3.241 -17.395 -1.921 1.00 0.00 C ATOM 228 NZ LYS A 18 2.485 -17.450 -3.203 1.00 0.00 N ATOM 0 H LYS A 18 4.739 -14.834 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 18 6.120 -13.147 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.544 -16.101 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.070 -15.262 -2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.939 -15.151 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.156 -15.126 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.054 -17.575 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.300 -17.500 -1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.144 -18.348 -1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.805 -16.634 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.486 -17.662 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.556 -16.532 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.885 -18.194 -3.810 1.00 0.00 H new ATOM 242 N MET A 19 7.970 -14.538 -5.349 1.00 0.00 N ATOM 243 CA MET A 19 9.245 -14.434 -6.049 1.00 0.00 C ATOM 244 C MET A 19 9.686 -12.978 -6.163 1.00 0.00 C ATOM 245 O MET A 19 10.872 -12.667 -6.058 1.00 0.00 O ATOM 246 CB MET A 19 9.139 -15.057 -7.443 1.00 0.00 C ATOM 247 CG MET A 19 8.008 -14.482 -8.280 1.00 0.00 C ATOM 248 SD MET A 19 7.719 -15.420 -9.793 1.00 0.00 S ATOM 249 CE MET A 19 6.969 -16.907 -9.132 1.00 0.00 C ATOM 0 H MET A 19 7.342 -15.251 -5.720 1.00 0.00 H new ATOM 0 HA MET A 19 9.993 -14.978 -5.472 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.082 -14.910 -7.970 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.995 -16.133 -7.342 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.094 -14.466 -7.687 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.240 -13.448 -8.536 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.449 -17.438 -9.930 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.743 -17.550 -8.713 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.258 -16.639 -8.350 1.00 0.00 H new ATOM 259 N LYS A 20 8.722 -12.088 -6.378 1.00 0.00 N ATOM 260 CA LYS A 20 9.010 -10.664 -6.505 1.00 0.00 C ATOM 261 C LYS A 20 9.535 -10.096 -5.191 1.00 0.00 C ATOM 262 O LYS A 20 9.270 -10.638 -4.118 1.00 0.00 O ATOM 263 CB LYS A 20 7.752 -9.906 -6.935 1.00 0.00 C ATOM 264 CG LYS A 20 7.570 -9.833 -8.441 1.00 0.00 C ATOM 265 CD LYS A 20 7.597 -11.215 -9.073 1.00 0.00 C ATOM 266 CE LYS A 20 7.004 -11.198 -10.474 1.00 0.00 C ATOM 267 NZ LYS A 20 7.610 -12.243 -11.345 1.00 0.00 N ATOM 0 H LYS A 20 7.735 -12.328 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 20 9.780 -10.540 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.879 -10.389 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.793 -8.894 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.623 -9.345 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.359 -9.218 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.624 -11.577 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.039 -11.913 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.927 -11.355 -10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.159 -10.217 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.049 -12.338 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.584 -11.970 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.621 -13.152 -10.840 1.00 0.00 H new ATOM 281 N LYS A 21 10.280 -8.999 -5.281 1.00 0.00 N ATOM 282 CA LYS A 21 10.840 -8.355 -4.100 1.00 0.00 C ATOM 283 C LYS A 21 10.313 -6.931 -3.954 1.00 0.00 C ATOM 284 O LYS A 21 9.760 -6.365 -4.898 1.00 0.00 O ATOM 285 CB LYS A 21 12.369 -8.338 -4.179 1.00 0.00 C ATOM 286 CG LYS A 21 13.023 -9.572 -3.583 1.00 0.00 C ATOM 287 CD LYS A 21 14.358 -9.870 -4.244 1.00 0.00 C ATOM 288 CE LYS A 21 14.174 -10.403 -5.657 1.00 0.00 C ATOM 289 NZ LYS A 21 15.451 -10.914 -6.227 1.00 0.00 N ATOM 0 H LYS A 21 10.510 -8.538 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 21 10.533 -8.929 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.669 -8.246 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.741 -7.454 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.170 -9.426 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.359 -10.429 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.962 -8.963 -4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.906 -10.599 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.434 -11.203 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.782 -9.611 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.284 -11.268 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.150 -10.145 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.812 -11.687 -5.632 1.00 0.00 H new ATOM 303 N ARG A 22 10.488 -6.358 -2.768 1.00 0.00 N ATOM 304 CA ARG A 22 10.029 -5.000 -2.500 1.00 0.00 C ATOM 305 C ARG A 22 10.568 -4.028 -3.546 1.00 0.00 C ATOM 306 O ARG A 22 9.840 -3.169 -4.042 1.00 0.00 O ATOM 307 CB ARG A 22 10.467 -4.558 -1.103 1.00 0.00 C ATOM 308 CG ARG A 22 11.975 -4.491 -0.930 1.00 0.00 C ATOM 309 CD ARG A 22 12.366 -4.445 0.539 1.00 0.00 C ATOM 310 NE ARG A 22 13.795 -4.678 0.733 1.00 0.00 N ATOM 311 CZ ARG A 22 14.317 -5.142 1.862 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.532 -5.421 2.894 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.627 -5.328 1.962 1.00 0.00 N ATOM 0 H ARG A 22 10.944 -6.813 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 22 8.940 -4.994 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.042 -3.577 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.056 -5.249 -0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.435 -5.358 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.362 -3.608 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.097 -3.474 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.798 -5.196 1.089 1.00 0.00 H new ATOM 0 HE ARG A 22 14.426 -4.473 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.525 -5.279 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.936 -5.777 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.234 -5.114 1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.027 -5.685 2.830 1.00 0.00 H new ATOM 327 N GLU A 23 11.848 -4.171 -3.875 1.00 0.00 N ATOM 328 CA GLU A 23 12.484 -3.304 -4.860 1.00 0.00 C ATOM 329 C GLU A 23 11.689 -3.286 -6.162 1.00 0.00 C ATOM 330 O GLU A 23 11.571 -2.249 -6.814 1.00 0.00 O ATOM 331 CB GLU A 23 13.917 -3.768 -5.131 1.00 0.00 C ATOM 332 CG GLU A 23 14.017 -5.228 -5.541 1.00 0.00 C ATOM 333 CD GLU A 23 15.433 -5.638 -5.896 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.145 -4.828 -6.525 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.829 -6.769 -5.544 1.00 0.00 O ATOM 0 H GLU A 23 12.464 -4.878 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 23 12.508 -2.292 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.348 -3.148 -5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.517 -3.609 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.654 -5.856 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.366 -5.407 -6.396 1.00 0.00 H new ATOM 342 N GLU A 24 11.147 -4.441 -6.534 1.00 0.00 N ATOM 343 CA GLU A 24 10.364 -4.558 -7.759 1.00 0.00 C ATOM 344 C GLU A 24 8.961 -3.992 -7.564 1.00 0.00 C ATOM 345 O GLU A 24 8.495 -3.174 -8.358 1.00 0.00 O ATOM 346 CB GLU A 24 10.279 -6.021 -8.198 1.00 0.00 C ATOM 347 CG GLU A 24 11.513 -6.507 -8.940 1.00 0.00 C ATOM 348 CD GLU A 24 11.675 -5.848 -10.296 1.00 0.00 C ATOM 349 OE1 GLU A 24 12.320 -4.782 -10.365 1.00 0.00 O ATOM 350 OE2 GLU A 24 11.156 -6.401 -11.289 1.00 0.00 O ATOM 0 H GLU A 24 11.235 -5.309 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 24 10.865 -3.981 -8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.124 -6.647 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.406 -6.149 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.398 -6.308 -8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.452 -7.587 -9.070 1.00 0.00 H new ATOM 357 N ILE A 25 8.293 -4.432 -6.503 1.00 0.00 N ATOM 358 CA ILE A 25 6.944 -3.969 -6.204 1.00 0.00 C ATOM 359 C ILE A 25 6.850 -2.450 -6.303 1.00 0.00 C ATOM 360 O ILE A 25 6.017 -1.915 -7.037 1.00 0.00 O ATOM 361 CB ILE A 25 6.497 -4.410 -4.798 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.529 -5.935 -4.683 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.103 -3.880 -4.495 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.796 -6.430 -3.278 1.00 0.00 C ATOM 0 H ILE A 25 8.664 -5.109 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 25 6.283 -4.420 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 25 7.190 -3.995 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.576 -6.337 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.298 -6.325 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.801 -4.200 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.110 -2.791 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.398 -4.269 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.805 -7.520 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.762 -6.058 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.013 -6.070 -2.610 1.00 0.00 H new ATOM 376 N LEU A 26 7.709 -1.760 -5.561 1.00 0.00 N ATOM 377 CA LEU A 26 7.725 -0.302 -5.566 1.00 0.00 C ATOM 378 C LEU A 26 7.620 0.239 -6.988 1.00 0.00 C ATOM 379 O LEU A 26 6.722 1.020 -7.300 1.00 0.00 O ATOM 380 CB LEU A 26 9.003 0.217 -4.904 1.00 0.00 C ATOM 381 CG LEU A 26 9.287 1.709 -5.071 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.571 2.513 -3.997 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.785 1.975 -5.029 1.00 0.00 C ATOM 0 H LEU A 26 8.404 -2.187 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 26 6.862 0.047 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.952 -0.006 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.849 -0.341 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 26 8.909 2.024 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.785 3.573 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.496 2.347 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.917 2.196 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.968 3.043 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.187 1.644 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.274 1.429 -5.836 1.00 0.00 H new ATOM 395 N GLU A 27 8.543 -0.183 -7.846 1.00 0.00 N ATOM 396 CA GLU A 27 8.553 0.258 -9.236 1.00 0.00 C ATOM 397 C GLU A 27 7.243 -0.103 -9.931 1.00 0.00 C ATOM 398 O GLU A 27 6.606 0.744 -10.555 1.00 0.00 O ATOM 399 CB GLU A 27 9.731 -0.368 -9.985 1.00 0.00 C ATOM 400 CG GLU A 27 10.020 0.289 -11.324 1.00 0.00 C ATOM 401 CD GLU A 27 9.257 -0.352 -12.466 1.00 0.00 C ATOM 402 OE1 GLU A 27 8.847 -1.523 -12.321 1.00 0.00 O ATOM 403 OE2 GLU A 27 9.070 0.316 -13.505 1.00 0.00 O ATOM 0 H GLU A 27 9.294 -0.830 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 27 8.662 1.343 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.622 -0.306 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.527 -1.427 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.762 1.347 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.089 0.232 -11.529 1.00 0.00 H new ATOM 410 N GLU A 28 6.850 -1.368 -9.817 1.00 0.00 N ATOM 411 CA GLU A 28 5.617 -1.842 -10.436 1.00 0.00 C ATOM 412 C GLU A 28 4.420 -1.023 -9.961 1.00 0.00 C ATOM 413 O GLU A 28 3.380 -0.985 -10.620 1.00 0.00 O ATOM 414 CB GLU A 28 5.396 -3.322 -10.116 1.00 0.00 C ATOM 415 CG GLU A 28 4.663 -4.079 -11.211 1.00 0.00 C ATOM 416 CD GLU A 28 5.595 -4.581 -12.296 1.00 0.00 C ATOM 417 OE1 GLU A 28 6.817 -4.350 -12.184 1.00 0.00 O ATOM 418 OE2 GLU A 28 5.102 -5.207 -13.258 1.00 0.00 O ATOM 0 H GLU A 28 7.366 -2.082 -9.303 1.00 0.00 H new ATOM 0 HA GLU A 28 5.712 -1.721 -11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.362 -3.796 -9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.830 -3.404 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.134 -4.925 -10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.910 -3.428 -11.656 1.00 0.00 H new ATOM 425 N ILE A 29 4.575 -0.371 -8.814 1.00 0.00 N ATOM 426 CA ILE A 29 3.508 0.448 -8.251 1.00 0.00 C ATOM 427 C ILE A 29 3.635 1.900 -8.699 1.00 0.00 C ATOM 428 O ILE A 29 2.640 2.552 -9.015 1.00 0.00 O ATOM 429 CB ILE A 29 3.510 0.394 -6.712 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.027 -0.974 -6.227 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.638 1.503 -6.143 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.751 -1.436 -6.896 1.00 0.00 C ATOM 0 H ILE A 29 5.429 -0.394 -8.256 1.00 0.00 H new ATOM 0 HA ILE A 29 2.567 0.038 -8.619 1.00 0.00 H new ATOM 0 HB ILE A 29 4.530 0.543 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.809 -1.711 -6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.869 -0.933 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.649 1.452 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.023 2.470 -6.465 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.616 1.382 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.468 -2.413 -6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.955 -0.719 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.910 -1.509 -7.972 1.00 0.00 H new ATOM 444 N ALA A 30 4.866 2.400 -8.725 1.00 0.00 N ATOM 445 CA ALA A 30 5.123 3.774 -9.138 1.00 0.00 C ATOM 446 C ALA A 30 4.550 4.048 -10.524 1.00 0.00 C ATOM 447 O ALA A 30 4.482 5.196 -10.964 1.00 0.00 O ATOM 448 CB ALA A 30 6.617 4.060 -9.116 1.00 0.00 C ATOM 0 H ALA A 30 5.701 1.874 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 30 4.626 4.439 -8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.795 5.090 -9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.001 3.914 -8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.127 3.381 -9.799 1.00 0.00 H new ATOM 454 N LYS A 31 4.138 2.986 -11.208 1.00 0.00 N ATOM 455 CA LYS A 31 3.569 3.111 -12.545 1.00 0.00 C ATOM 456 C LYS A 31 2.051 2.967 -12.507 1.00 0.00 C ATOM 457 O LYS A 31 1.326 3.778 -13.083 1.00 0.00 O ATOM 458 CB LYS A 31 4.169 2.055 -13.477 1.00 0.00 C ATOM 459 CG LYS A 31 4.258 0.673 -12.853 1.00 0.00 C ATOM 460 CD LYS A 31 4.893 -0.328 -13.804 1.00 0.00 C ATOM 461 CE LYS A 31 6.390 -0.095 -13.939 1.00 0.00 C ATOM 462 NZ LYS A 31 7.046 -1.160 -14.748 1.00 0.00 N ATOM 0 H LYS A 31 4.187 2.029 -10.859 1.00 0.00 H new ATOM 0 HA LYS A 31 3.812 4.103 -12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.566 1.997 -14.383 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.167 2.373 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.842 0.725 -11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.260 0.332 -12.578 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.712 -1.340 -13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.422 -0.250 -14.784 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.566 0.875 -14.404 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.843 -0.060 -12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.078 -1.043 -14.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.787 -2.093 -14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.731 -1.089 -15.737 1.00 0.00 H new ATOM 476 N VAL A 32 1.577 1.931 -11.822 1.00 0.00 N ATOM 477 CA VAL A 32 0.145 1.683 -11.706 1.00 0.00 C ATOM 478 C VAL A 32 -0.530 2.749 -10.850 1.00 0.00 C ATOM 479 O VAL A 32 -1.706 3.062 -11.040 1.00 0.00 O ATOM 480 CB VAL A 32 -0.137 0.297 -11.096 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.496 -0.798 -11.943 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.368 0.233 -9.663 1.00 0.00 C ATOM 0 H VAL A 32 2.164 1.250 -11.339 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.265 1.718 -12.715 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.215 0.137 -11.084 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.286 -1.770 -11.497 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.081 -0.764 -12.950 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.574 -0.645 -11.989 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.160 -0.753 -9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.443 0.414 -9.648 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.137 0.992 -9.065 1.00 0.00 H new ATOM 492 N THR A 33 0.222 3.305 -9.905 1.00 0.00 N ATOM 493 CA THR A 33 -0.303 4.336 -9.019 1.00 0.00 C ATOM 494 C THR A 33 0.733 5.427 -8.770 1.00 0.00 C ATOM 495 O THR A 33 1.759 5.186 -8.135 1.00 0.00 O ATOM 496 CB THR A 33 -0.743 3.744 -7.667 1.00 0.00 C ATOM 497 OG1 THR A 33 0.390 3.210 -6.974 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.782 2.651 -7.867 1.00 0.00 C ATOM 0 H THR A 33 1.197 3.058 -9.734 1.00 0.00 H new ATOM 0 HA THR A 33 -1.170 4.769 -9.517 1.00 0.00 H new ATOM 0 HB THR A 33 -1.188 4.543 -7.074 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.202 3.673 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.077 2.248 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.656 3.067 -8.369 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.358 1.854 -8.478 1.00 0.00 H new ATOM 506 N GLU A 34 0.456 6.625 -9.273 1.00 0.00 N ATOM 507 CA GLU A 34 1.365 7.753 -9.105 1.00 0.00 C ATOM 508 C GLU A 34 1.117 8.458 -7.775 1.00 0.00 C ATOM 509 O GLU A 34 -0.020 8.783 -7.435 1.00 0.00 O ATOM 510 CB GLU A 34 1.204 8.744 -10.259 1.00 0.00 C ATOM 511 CG GLU A 34 1.893 8.305 -11.540 1.00 0.00 C ATOM 512 CD GLU A 34 2.008 9.427 -12.554 1.00 0.00 C ATOM 513 OE1 GLU A 34 0.983 9.769 -13.179 1.00 0.00 O ATOM 514 OE2 GLU A 34 3.124 9.962 -12.722 1.00 0.00 O ATOM 0 H GLU A 34 -0.390 6.840 -9.800 1.00 0.00 H new ATOM 0 HA GLU A 34 2.385 7.368 -9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.142 8.887 -10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.604 9.711 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.889 7.931 -11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.338 7.477 -11.981 1.00 0.00 H new ATOM 521 N GLY A 35 2.190 8.691 -7.025 1.00 0.00 N ATOM 522 CA GLY A 35 2.068 9.355 -5.740 1.00 0.00 C ATOM 523 C GLY A 35 2.558 8.494 -4.593 1.00 0.00 C ATOM 524 O GLY A 35 2.233 8.748 -3.434 1.00 0.00 O ATOM 0 H GLY A 35 3.142 8.432 -7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.636 10.285 -5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.025 9.622 -5.570 1.00 0.00 H new ATOM 528 N VAL A 36 3.343 7.471 -4.917 1.00 0.00 N ATOM 529 CA VAL A 36 3.879 6.569 -3.905 1.00 0.00 C ATOM 530 C VAL A 36 5.195 7.095 -3.341 1.00 0.00 C ATOM 531 O VAL A 36 5.876 7.902 -3.975 1.00 0.00 O ATOM 532 CB VAL A 36 4.106 5.156 -4.475 1.00 0.00 C ATOM 533 CG1 VAL A 36 2.989 4.784 -5.439 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.462 5.070 -5.159 1.00 0.00 C ATOM 0 H VAL A 36 3.622 7.247 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 36 3.140 6.516 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 36 4.094 4.443 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.166 3.783 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.034 4.804 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.966 5.498 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.606 4.065 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.505 5.792 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.248 5.291 -4.437 1.00 0.00 H new ATOM 544 N LEU A 37 5.547 6.632 -2.147 1.00 0.00 N ATOM 545 CA LEU A 37 6.783 7.055 -1.497 1.00 0.00 C ATOM 546 C LEU A 37 7.742 5.880 -1.334 1.00 0.00 C ATOM 547 O LEU A 37 8.923 5.980 -1.666 1.00 0.00 O ATOM 548 CB LEU A 37 6.478 7.673 -0.131 1.00 0.00 C ATOM 549 CG LEU A 37 7.463 8.733 0.361 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.614 9.841 -0.669 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.010 9.303 1.698 1.00 0.00 C ATOM 0 H LEU A 37 4.995 5.964 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 37 7.260 7.804 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.484 8.119 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.439 6.872 0.607 1.00 0.00 H new ATOM 0 HG LEU A 37 8.435 8.260 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.319 10.586 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.985 9.421 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.646 10.311 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.723 10.056 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.027 9.760 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.955 8.502 2.435 1.00 0.00 H new ATOM 563 N ASP A 38 7.226 4.768 -0.823 1.00 0.00 N ATOM 564 CA ASP A 38 8.035 3.573 -0.619 1.00 0.00 C ATOM 565 C ASP A 38 7.152 2.346 -0.414 1.00 0.00 C ATOM 566 O ASP A 38 5.936 2.463 -0.257 1.00 0.00 O ATOM 567 CB ASP A 38 8.961 3.757 0.585 1.00 0.00 C ATOM 568 CG ASP A 38 10.259 2.987 0.440 1.00 0.00 C ATOM 569 OD1 ASP A 38 10.831 2.991 -0.670 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.703 2.381 1.438 1.00 0.00 O ATOM 0 H ASP A 38 6.250 4.669 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 38 8.640 3.418 -1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.183 4.817 0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.447 3.430 1.489 1.00 0.00 H new ATOM 575 N VAL A 39 7.771 1.170 -0.417 1.00 0.00 N ATOM 576 CA VAL A 39 7.041 -0.079 -0.232 1.00 0.00 C ATOM 577 C VAL A 39 7.601 -0.873 0.943 1.00 0.00 C ATOM 578 O VAL A 39 8.815 -0.941 1.137 1.00 0.00 O ATOM 579 CB VAL A 39 7.091 -0.952 -1.499 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.718 -2.390 -1.173 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.175 -0.385 -2.573 1.00 0.00 C ATOM 0 H VAL A 39 8.776 1.056 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 39 6.004 0.188 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 39 8.111 -0.945 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.759 -2.991 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.419 -2.791 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.708 -2.420 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.223 -1.015 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.151 -0.359 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.494 0.626 -2.827 1.00 0.00 H new ATOM 591 N ILE A 40 6.708 -1.474 1.722 1.00 0.00 N ATOM 592 CA ILE A 40 7.113 -2.266 2.877 1.00 0.00 C ATOM 593 C ILE A 40 6.604 -3.699 2.767 1.00 0.00 C ATOM 594 O ILE A 40 5.430 -3.931 2.476 1.00 0.00 O ATOM 595 CB ILE A 40 6.599 -1.649 4.191 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.207 -0.261 4.401 1.00 0.00 C ATOM 597 CG2 ILE A 40 6.925 -2.559 5.366 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.299 0.690 5.148 1.00 0.00 C ATOM 0 H ILE A 40 5.700 -1.428 1.575 1.00 0.00 H new ATOM 0 HA ILE A 40 8.203 -2.271 2.890 1.00 0.00 H new ATOM 0 HB ILE A 40 5.516 -1.544 4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.143 -0.363 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.452 0.170 3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.556 -2.110 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.449 -3.528 5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.005 -2.692 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.795 1.654 5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.372 0.822 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.075 0.281 6.133 1.00 0.00 H new ATOM 610 N VAL A 41 7.493 -4.657 3.005 1.00 0.00 N ATOM 611 CA VAL A 41 7.133 -6.069 2.936 1.00 0.00 C ATOM 612 C VAL A 41 7.363 -6.760 4.275 1.00 0.00 C ATOM 613 O VAL A 41 8.482 -6.790 4.786 1.00 0.00 O ATOM 614 CB VAL A 41 7.940 -6.801 1.847 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.431 -6.712 2.136 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.495 -8.252 1.740 1.00 0.00 C ATOM 0 H VAL A 41 8.468 -4.482 3.247 1.00 0.00 H new ATOM 0 HA VAL A 41 6.073 -6.114 2.684 1.00 0.00 H new ATOM 0 HB VAL A 41 7.750 -6.315 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.985 -7.235 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.736 -5.666 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.643 -7.172 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.075 -8.754 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.654 -8.753 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.437 -8.290 1.482 1.00 0.00 H new ATOM 626 N TYR A 42 6.295 -7.316 4.837 1.00 0.00 N ATOM 627 CA TYR A 42 6.379 -8.007 6.118 1.00 0.00 C ATOM 628 C TYR A 42 6.295 -9.519 5.929 1.00 0.00 C ATOM 629 O TYR A 42 5.496 -10.012 5.134 1.00 0.00 O ATOM 630 CB TYR A 42 5.262 -7.535 7.050 1.00 0.00 C ATOM 631 CG TYR A 42 5.575 -6.240 7.764 1.00 0.00 C ATOM 632 CD1 TYR A 42 6.356 -6.230 8.914 1.00 0.00 C ATOM 633 CD2 TYR A 42 5.091 -5.027 7.291 1.00 0.00 C ATOM 634 CE1 TYR A 42 6.644 -5.049 9.571 1.00 0.00 C ATOM 635 CE2 TYR A 42 5.375 -3.842 7.940 1.00 0.00 C ATOM 636 CZ TYR A 42 6.152 -3.858 9.079 1.00 0.00 C ATOM 637 OH TYR A 42 6.437 -2.679 9.730 1.00 0.00 O ATOM 0 H TYR A 42 5.362 -7.302 4.426 1.00 0.00 H new ATOM 0 HA TYR A 42 7.343 -7.769 6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.347 -7.409 6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.067 -8.310 7.791 1.00 0.00 H new ATOM 0 HD1 TYR A 42 6.744 -7.161 9.300 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.482 -5.011 6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.251 -5.058 10.464 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.991 -2.908 7.558 1.00 0.00 H new ATOM 0 HH TYR A 42 6.016 -1.933 9.254 1.00 0.00 H new ATOM 647 N ALA A 43 7.125 -10.248 6.667 1.00 0.00 N ATOM 648 CA ALA A 43 7.144 -11.703 6.584 1.00 0.00 C ATOM 649 C ALA A 43 7.284 -12.331 7.967 1.00 0.00 C ATOM 650 O ALA A 43 8.110 -11.901 8.773 1.00 0.00 O ATOM 651 CB ALA A 43 8.273 -12.165 5.675 1.00 0.00 C ATOM 0 H ALA A 43 7.793 -9.855 7.329 1.00 0.00 H new ATOM 0 HA ALA A 43 6.194 -12.030 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.275 -13.254 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.127 -11.754 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.226 -11.819 6.074 1.00 0.00 H new ATOM 657 N SER A 44 6.473 -13.349 8.235 1.00 0.00 N ATOM 658 CA SER A 44 6.505 -14.032 9.523 1.00 0.00 C ATOM 659 C SER A 44 7.929 -14.108 10.063 1.00 0.00 C ATOM 660 O SER A 44 8.184 -13.777 11.220 1.00 0.00 O ATOM 661 CB SER A 44 5.921 -15.441 9.391 1.00 0.00 C ATOM 662 OG SER A 44 6.640 -16.203 8.437 1.00 0.00 O ATOM 0 H SER A 44 5.786 -13.719 7.578 1.00 0.00 H new ATOM 0 HA SER A 44 5.900 -13.459 10.225 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.950 -15.942 10.358 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.874 -15.378 9.096 1.00 0.00 H new ATOM 0 HG SER A 44 6.249 -17.099 8.372 1.00 0.00 H new ATOM 668 N ALA A 45 8.854 -14.547 9.216 1.00 0.00 N ATOM 669 CA ALA A 45 10.254 -14.665 9.606 1.00 0.00 C ATOM 670 C ALA A 45 11.140 -13.767 8.750 1.00 0.00 C ATOM 671 O ALA A 45 11.944 -12.994 9.271 1.00 0.00 O ATOM 672 CB ALA A 45 10.710 -16.113 9.502 1.00 0.00 C ATOM 0 H ALA A 45 8.659 -14.827 8.255 1.00 0.00 H new ATOM 0 HA ALA A 45 10.346 -14.340 10.642 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.757 -16.187 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.103 -16.734 10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.597 -16.457 8.474 1.00 0.00 H new ATOM 678 N ALA A 46 10.988 -13.874 7.434 1.00 0.00 N ATOM 679 CA ALA A 46 11.774 -13.070 6.507 1.00 0.00 C ATOM 680 C ALA A 46 11.238 -13.192 5.084 1.00 0.00 C ATOM 681 O ALA A 46 10.986 -14.295 4.599 1.00 0.00 O ATOM 682 CB ALA A 46 13.237 -13.483 6.559 1.00 0.00 C ATOM 0 H ALA A 46 10.328 -14.510 6.986 1.00 0.00 H new ATOM 0 HA ALA A 46 11.692 -12.026 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.812 -12.874 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.620 -13.338 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.328 -14.534 6.284 1.00 0.00 H new ATOM 688 N ASP A 47 11.067 -12.054 4.421 1.00 0.00 N ATOM 689 CA ASP A 47 10.562 -12.034 3.053 1.00 0.00 C ATOM 690 C ASP A 47 11.128 -13.199 2.248 1.00 0.00 C ATOM 691 O ASP A 47 12.334 -13.276 2.010 1.00 0.00 O ATOM 692 CB ASP A 47 10.916 -10.709 2.376 1.00 0.00 C ATOM 693 CG ASP A 47 12.298 -10.216 2.756 1.00 0.00 C ATOM 694 OD1 ASP A 47 13.283 -10.691 2.154 1.00 0.00 O ATOM 695 OD2 ASP A 47 12.394 -9.354 3.655 1.00 0.00 O ATOM 0 H ASP A 47 11.271 -11.133 4.809 1.00 0.00 H new ATOM 0 HA ASP A 47 9.477 -12.135 3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.862 -10.831 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.177 -9.956 2.649 1.00 0.00 H new ATOM 700 N LYS A 48 10.251 -14.106 1.831 1.00 0.00 N ATOM 701 CA LYS A 48 10.662 -15.268 1.052 1.00 0.00 C ATOM 702 C LYS A 48 9.449 -16.006 0.496 1.00 0.00 C ATOM 703 O LYS A 48 8.318 -15.773 0.924 1.00 0.00 O ATOM 704 CB LYS A 48 11.498 -16.216 1.915 1.00 0.00 C ATOM 705 CG LYS A 48 12.488 -17.048 1.119 1.00 0.00 C ATOM 706 CD LYS A 48 13.617 -17.562 1.997 1.00 0.00 C ATOM 707 CE LYS A 48 13.160 -18.720 2.871 1.00 0.00 C ATOM 708 NZ LYS A 48 12.568 -18.247 4.153 1.00 0.00 N ATOM 0 H LYS A 48 9.250 -14.058 2.020 1.00 0.00 H new ATOM 0 HA LYS A 48 11.268 -14.919 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.041 -15.633 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.830 -16.883 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.971 -17.890 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.901 -16.447 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.449 -17.884 1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.987 -16.753 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.425 -19.316 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.007 -19.373 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.017 -18.746 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.727 -17.224 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.546 -18.440 4.156 1.00 0.00 H new ATOM 722 N MET A 49 9.691 -16.898 -0.459 1.00 0.00 N ATOM 723 CA MET A 49 8.618 -17.672 -1.072 1.00 0.00 C ATOM 724 C MET A 49 7.859 -18.476 -0.021 1.00 0.00 C ATOM 725 O MET A 49 6.714 -18.874 -0.236 1.00 0.00 O ATOM 726 CB MET A 49 9.183 -18.612 -2.139 1.00 0.00 C ATOM 727 CG MET A 49 9.444 -17.930 -3.472 1.00 0.00 C ATOM 728 SD MET A 49 9.872 -19.098 -4.778 1.00 0.00 S ATOM 729 CE MET A 49 8.347 -19.130 -5.716 1.00 0.00 C ATOM 0 H MET A 49 10.621 -17.103 -0.825 1.00 0.00 H new ATOM 0 HA MET A 49 7.924 -16.975 -1.542 1.00 0.00 H new ATOM 0 HB2 MET A 49 10.114 -19.046 -1.774 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.486 -19.436 -2.292 1.00 0.00 H new ATOM 0 HG2 MET A 49 8.558 -17.369 -3.768 1.00 0.00 H new ATOM 0 HG3 MET A 49 10.253 -17.209 -3.355 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.454 -19.811 -6.561 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.533 -19.471 -5.076 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.125 -18.128 -6.083 1.00 0.00 H new ATOM 739 N LYS A 50 8.504 -18.712 1.117 1.00 0.00 N ATOM 740 CA LYS A 50 7.890 -19.467 2.203 1.00 0.00 C ATOM 741 C LYS A 50 7.099 -18.547 3.126 1.00 0.00 C ATOM 742 O LYS A 50 6.825 -18.891 4.275 1.00 0.00 O ATOM 743 CB LYS A 50 8.962 -20.211 3.003 1.00 0.00 C ATOM 744 CG LYS A 50 9.289 -21.587 2.449 1.00 0.00 C ATOM 745 CD LYS A 50 8.183 -22.586 2.747 1.00 0.00 C ATOM 746 CE LYS A 50 8.579 -23.995 2.335 1.00 0.00 C ATOM 747 NZ LYS A 50 7.417 -24.926 2.358 1.00 0.00 N ATOM 0 H LYS A 50 9.453 -18.391 1.311 1.00 0.00 H new ATOM 0 HA LYS A 50 7.203 -20.191 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.872 -19.611 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.627 -20.314 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.439 -21.520 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.226 -21.941 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.953 -22.568 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.275 -22.293 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.008 -23.974 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.354 -24.365 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.728 -25.876 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.023 -24.966 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.687 -24.587 1.699 1.00 0.00 H new ATOM 761 N ASN A 51 6.733 -17.376 2.615 1.00 0.00 N ATOM 762 CA ASN A 51 5.971 -16.406 3.394 1.00 0.00 C ATOM 763 C ASN A 51 4.678 -16.028 2.678 1.00 0.00 C ATOM 764 O ASN A 51 4.392 -16.524 1.588 1.00 0.00 O ATOM 765 CB ASN A 51 6.811 -15.153 3.649 1.00 0.00 C ATOM 766 CG ASN A 51 8.142 -15.472 4.302 1.00 0.00 C ATOM 767 OD1 ASN A 51 9.144 -15.688 3.620 1.00 0.00 O ATOM 768 ND2 ASN A 51 8.158 -15.502 5.629 1.00 0.00 N ATOM 0 H ASN A 51 6.952 -17.076 1.665 1.00 0.00 H new ATOM 0 HA ASN A 51 5.715 -16.865 4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.987 -14.638 2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.252 -14.468 4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.025 -15.710 6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.303 -15.317 6.154 1.00 0.00 H new ATOM 775 N ARG A 52 3.900 -15.148 3.299 1.00 0.00 N ATOM 776 CA ARG A 52 2.637 -14.704 2.722 1.00 0.00 C ATOM 777 C ARG A 52 2.869 -13.974 1.402 1.00 0.00 C ATOM 778 O ARG A 52 4.003 -13.651 1.050 1.00 0.00 O ATOM 779 CB ARG A 52 1.898 -13.788 3.700 1.00 0.00 C ATOM 780 CG ARG A 52 1.281 -14.526 4.877 1.00 0.00 C ATOM 781 CD ARG A 52 -0.096 -15.071 4.533 1.00 0.00 C ATOM 782 NE ARG A 52 -0.496 -16.153 5.429 1.00 0.00 N ATOM 783 CZ ARG A 52 -1.613 -16.855 5.280 1.00 0.00 C ATOM 784 NH1 ARG A 52 -2.437 -16.591 4.275 1.00 0.00 N ATOM 785 NH2 ARG A 52 -1.909 -17.825 6.136 1.00 0.00 N ATOM 0 H ARG A 52 4.122 -14.728 4.202 1.00 0.00 H new ATOM 0 HA ARG A 52 2.026 -15.585 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.592 -13.037 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.113 -13.256 3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.934 -15.346 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.204 -13.852 5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.829 -14.266 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.096 -15.433 3.505 1.00 0.00 H new ATOM 0 HE ARG A 52 0.116 -16.382 6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.213 -15.847 3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.294 -17.132 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.278 -18.032 6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.768 -18.363 6.020 1.00 0.00 H new ATOM 799 N GLY A 53 1.785 -13.718 0.675 1.00 0.00 N ATOM 800 CA GLY A 53 1.892 -13.029 -0.598 1.00 0.00 C ATOM 801 C GLY A 53 1.200 -11.680 -0.587 1.00 0.00 C ATOM 802 O GLY A 53 0.086 -11.542 -1.091 1.00 0.00 O ATOM 0 H GLY A 53 0.836 -13.975 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.944 -12.892 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.458 -13.650 -1.381 1.00 0.00 H new ATOM 806 N PHE A 54 1.861 -10.682 -0.009 1.00 0.00 N ATOM 807 CA PHE A 54 1.302 -9.338 0.068 1.00 0.00 C ATOM 808 C PHE A 54 2.404 -8.300 0.258 1.00 0.00 C ATOM 809 O PHE A 54 3.548 -8.642 0.556 1.00 0.00 O ATOM 810 CB PHE A 54 0.296 -9.246 1.217 1.00 0.00 C ATOM 811 CG PHE A 54 0.181 -7.869 1.805 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.197 -7.351 2.593 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.941 -7.092 1.570 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.093 -6.084 3.136 1.00 0.00 C ATOM 815 CE2 PHE A 54 -1.050 -5.824 2.109 1.00 0.00 C ATOM 816 CZ PHE A 54 -0.031 -5.319 2.893 1.00 0.00 C ATOM 0 H PHE A 54 2.785 -10.779 0.413 1.00 0.00 H new ATOM 0 HA PHE A 54 0.790 -9.131 -0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.683 -9.562 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.588 -9.944 2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.079 -7.944 2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.741 -7.482 0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.890 -5.692 3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.931 -5.229 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.113 -4.328 3.315 1.00 0.00 H new ATOM 826 N ALA A 55 2.050 -7.031 0.083 1.00 0.00 N ATOM 827 CA ALA A 55 3.008 -5.943 0.236 1.00 0.00 C ATOM 828 C ALA A 55 2.305 -4.641 0.607 1.00 0.00 C ATOM 829 O ALA A 55 1.112 -4.474 0.353 1.00 0.00 O ATOM 830 CB ALA A 55 3.813 -5.764 -1.043 1.00 0.00 C ATOM 0 H ALA A 55 1.107 -6.731 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 55 3.688 -6.203 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.524 -4.948 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.353 -6.684 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.139 -5.531 -1.867 1.00 0.00 H new ATOM 836 N PHE A 56 3.052 -3.723 1.211 1.00 0.00 N ATOM 837 CA PHE A 56 2.500 -2.436 1.619 1.00 0.00 C ATOM 838 C PHE A 56 3.062 -1.306 0.762 1.00 0.00 C ATOM 839 O PHE A 56 4.245 -1.301 0.420 1.00 0.00 O ATOM 840 CB PHE A 56 2.804 -2.172 3.095 1.00 0.00 C ATOM 841 CG PHE A 56 1.728 -2.655 4.025 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.447 -2.132 3.955 1.00 0.00 C ATOM 843 CD2 PHE A 56 1.998 -3.632 4.970 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.546 -2.574 4.808 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.009 -4.079 5.826 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.264 -3.548 5.746 1.00 0.00 C ATOM 0 H PHE A 56 4.041 -3.846 1.429 1.00 0.00 H new ATOM 0 HA PHE A 56 1.420 -2.471 1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.744 -2.658 3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.947 -1.101 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.222 -1.369 3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.992 -4.049 5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.541 -2.159 4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.231 -4.843 6.557 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.037 -3.894 6.416 1.00 0.00 H new ATOM 856 N VAL A 57 2.206 -0.350 0.417 1.00 0.00 N ATOM 857 CA VAL A 57 2.616 0.786 -0.399 1.00 0.00 C ATOM 858 C VAL A 57 2.262 2.106 0.277 1.00 0.00 C ATOM 859 O VAL A 57 1.095 2.490 0.337 1.00 0.00 O ATOM 860 CB VAL A 57 1.958 0.743 -1.791 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.756 1.572 -2.785 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.821 -0.694 -2.271 1.00 0.00 C ATOM 0 H VAL A 57 1.223 -0.340 0.690 1.00 0.00 H new ATOM 0 HA VAL A 57 3.698 0.719 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 57 0.959 1.173 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.276 1.529 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.797 2.607 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.768 1.175 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.354 -0.706 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.808 -1.153 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.203 -1.254 -1.570 1.00 0.00 H new ATOM 872 N GLU A 58 3.279 2.795 0.785 1.00 0.00 N ATOM 873 CA GLU A 58 3.075 4.072 1.458 1.00 0.00 C ATOM 874 C GLU A 58 3.067 5.221 0.454 1.00 0.00 C ATOM 875 O GLU A 58 3.920 5.293 -0.431 1.00 0.00 O ATOM 876 CB GLU A 58 4.166 4.303 2.505 1.00 0.00 C ATOM 877 CG GLU A 58 3.751 5.248 3.620 1.00 0.00 C ATOM 878 CD GLU A 58 4.909 6.072 4.148 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.053 5.572 4.125 1.00 0.00 O ATOM 880 OE2 GLU A 58 4.671 7.218 4.585 1.00 0.00 O ATOM 0 H GLU A 58 4.252 2.490 0.743 1.00 0.00 H new ATOM 0 HA GLU A 58 2.106 4.040 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.449 3.344 2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.052 4.704 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.972 5.916 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.318 4.671 4.437 1.00 0.00 H new ATOM 887 N TYR A 59 2.097 6.118 0.598 1.00 0.00 N ATOM 888 CA TYR A 59 1.975 7.262 -0.298 1.00 0.00 C ATOM 889 C TYR A 59 2.207 8.569 0.454 1.00 0.00 C ATOM 890 O TYR A 59 1.718 8.751 1.568 1.00 0.00 O ATOM 891 CB TYR A 59 0.594 7.277 -0.955 1.00 0.00 C ATOM 892 CG TYR A 59 0.361 6.121 -1.902 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.096 4.845 -1.420 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.406 6.305 -3.278 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.116 3.786 -2.281 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.193 5.252 -4.147 1.00 0.00 C ATOM 897 CZ TYR A 59 -0.067 3.995 -3.644 1.00 0.00 C ATOM 898 OH TYR A 59 -0.279 2.943 -4.505 1.00 0.00 O ATOM 0 H TYR A 59 1.384 6.075 1.326 1.00 0.00 H new ATOM 0 HA TYR A 59 2.737 7.168 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.169 7.258 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.470 8.213 -1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.055 4.678 -0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.611 7.288 -3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.319 2.800 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.230 5.413 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 59 0.149 3.133 -5.366 1.00 0.00 H new ATOM 908 N GLU A 60 2.956 9.476 -0.166 1.00 0.00 N ATOM 909 CA GLU A 60 3.253 10.767 0.444 1.00 0.00 C ATOM 910 C GLU A 60 1.976 11.573 0.661 1.00 0.00 C ATOM 911 O GLU A 60 1.738 12.098 1.749 1.00 0.00 O ATOM 912 CB GLU A 60 4.226 11.558 -0.433 1.00 0.00 C ATOM 913 CG GLU A 60 3.714 11.801 -1.843 1.00 0.00 C ATOM 914 CD GLU A 60 4.726 12.520 -2.714 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.926 12.187 -2.629 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.316 13.416 -3.482 1.00 0.00 O ATOM 0 H GLU A 60 3.368 9.341 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 60 3.715 10.584 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.431 12.518 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.173 11.021 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.458 10.846 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.797 12.389 -1.797 1.00 0.00 H new ATOM 923 N SER A 61 1.157 11.666 -0.381 1.00 0.00 N ATOM 924 CA SER A 61 -0.095 12.411 -0.307 1.00 0.00 C ATOM 925 C SER A 61 -1.221 11.529 0.223 1.00 0.00 C ATOM 926 O SER A 61 -1.555 10.504 -0.372 1.00 0.00 O ATOM 927 CB SER A 61 -0.468 12.962 -1.685 1.00 0.00 C ATOM 928 OG SER A 61 0.425 13.988 -2.082 1.00 0.00 O ATOM 0 H SER A 61 1.338 11.235 -1.287 1.00 0.00 H new ATOM 0 HA SER A 61 0.046 13.243 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.451 12.156 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.486 13.351 -1.662 1.00 0.00 H new ATOM 0 HG SER A 61 0.167 14.322 -2.966 1.00 0.00 H new ATOM 934 N HIS A 62 -1.804 11.936 1.347 1.00 0.00 N ATOM 935 CA HIS A 62 -2.894 11.184 1.958 1.00 0.00 C ATOM 936 C HIS A 62 -3.922 10.769 0.910 1.00 0.00 C ATOM 937 O HIS A 62 -4.527 9.702 1.009 1.00 0.00 O ATOM 938 CB HIS A 62 -3.568 12.017 3.049 1.00 0.00 C ATOM 939 CG HIS A 62 -4.410 11.208 3.986 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.168 10.131 3.578 1.00 0.00 N ATOM 941 CD2 HIS A 62 -4.609 11.323 5.320 1.00 0.00 C ATOM 942 CE1 HIS A 62 -5.799 9.620 4.620 1.00 0.00 C ATOM 943 NE2 HIS A 62 -5.476 10.324 5.690 1.00 0.00 N ATOM 0 H HIS A 62 -1.540 12.782 1.852 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.474 10.283 2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.801 12.539 3.621 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.191 12.779 2.580 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.232 9.783 2.621 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.168 12.063 5.972 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.466 8.771 4.600 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -5.815 10.154 6.637 1.00 0.00 H new ATOM 951 N ARG A 63 -4.115 11.620 -0.092 1.00 0.00 N ATOM 952 CA ARG A 63 -5.072 11.343 -1.157 1.00 0.00 C ATOM 953 C ARG A 63 -4.482 10.374 -2.178 1.00 0.00 C ATOM 954 O ARG A 63 -5.168 9.474 -2.662 1.00 0.00 O ATOM 955 CB ARG A 63 -5.487 12.642 -1.850 1.00 0.00 C ATOM 956 CG ARG A 63 -6.345 12.425 -3.086 1.00 0.00 C ATOM 957 CD ARG A 63 -7.810 12.243 -2.721 1.00 0.00 C ATOM 958 NE ARG A 63 -8.371 13.437 -2.094 1.00 0.00 N ATOM 959 CZ ARG A 63 -8.404 13.630 -0.781 1.00 0.00 C ATOM 960 NH1 ARG A 63 -7.911 12.714 0.041 1.00 0.00 N ATOM 961 NH2 ARG A 63 -8.931 14.743 -0.286 1.00 0.00 N ATOM 0 H ARG A 63 -3.621 12.507 -0.189 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.953 10.882 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.036 13.263 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.591 13.196 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.239 13.277 -3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.991 11.547 -3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.380 12.003 -3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.912 11.396 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.758 14.162 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.504 11.857 -0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.938 12.866 1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.311 15.451 -0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.956 14.891 0.723 1.00 0.00 H new ATOM 975 N ALA A 64 -3.208 10.567 -2.502 1.00 0.00 N ATOM 976 CA ALA A 64 -2.526 9.710 -3.464 1.00 0.00 C ATOM 977 C ALA A 64 -2.857 8.241 -3.222 1.00 0.00 C ATOM 978 O ALA A 64 -3.069 7.480 -4.165 1.00 0.00 O ATOM 979 CB ALA A 64 -1.023 9.933 -3.397 1.00 0.00 C ATOM 0 H ALA A 64 -2.627 11.309 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.877 9.974 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.527 9.286 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.799 10.975 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.665 9.698 -2.395 1.00 0.00 H new ATOM 985 N ALA A 65 -2.897 7.850 -1.952 1.00 0.00 N ATOM 986 CA ALA A 65 -3.203 6.473 -1.587 1.00 0.00 C ATOM 987 C ALA A 65 -4.693 6.185 -1.730 1.00 0.00 C ATOM 988 O ALA A 65 -5.092 5.058 -2.021 1.00 0.00 O ATOM 989 CB ALA A 65 -2.742 6.189 -0.165 1.00 0.00 C ATOM 0 H ALA A 65 -2.721 8.468 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.666 5.814 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.977 5.157 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.666 6.345 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.253 6.861 0.524 1.00 0.00 H new ATOM 995 N ALA A 66 -5.512 7.211 -1.522 1.00 0.00 N ATOM 996 CA ALA A 66 -6.959 7.068 -1.628 1.00 0.00 C ATOM 997 C ALA A 66 -7.390 6.927 -3.084 1.00 0.00 C ATOM 998 O ALA A 66 -8.311 6.173 -3.398 1.00 0.00 O ATOM 999 CB ALA A 66 -7.656 8.255 -0.982 1.00 0.00 C ATOM 0 H ALA A 66 -5.198 8.151 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.250 6.160 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.736 8.134 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.381 8.310 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.352 9.173 -1.485 1.00 0.00 H new ATOM 1005 N MET A 67 -6.720 7.658 -3.969 1.00 0.00 N ATOM 1006 CA MET A 67 -7.034 7.613 -5.392 1.00 0.00 C ATOM 1007 C MET A 67 -6.283 6.478 -6.080 1.00 0.00 C ATOM 1008 O MET A 67 -6.766 5.901 -7.053 1.00 0.00 O ATOM 1009 CB MET A 67 -6.686 8.947 -6.055 1.00 0.00 C ATOM 1010 CG MET A 67 -5.215 9.314 -5.946 1.00 0.00 C ATOM 1011 SD MET A 67 -4.763 10.696 -7.012 1.00 0.00 S ATOM 1012 CE MET A 67 -2.987 10.480 -7.111 1.00 0.00 C ATOM 0 H MET A 67 -5.956 8.289 -3.725 1.00 0.00 H new ATOM 0 HA MET A 67 -8.104 7.432 -5.497 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.964 8.904 -7.108 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.284 9.737 -5.600 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.983 9.567 -4.911 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.608 8.447 -6.205 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.652 10.684 -8.128 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.498 11.169 -6.423 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.730 9.455 -6.843 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.097 6.163 -5.568 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.280 5.097 -6.132 1.00 0.00 C ATOM 1024 C ALA A 68 -5.017 3.762 -6.093 1.00 0.00 C ATOM 1025 O ALA A 68 -4.963 2.984 -7.046 1.00 0.00 O ATOM 1026 CB ALA A 68 -2.958 4.994 -5.386 1.00 0.00 C ATOM 0 H ALA A 68 -4.681 6.632 -4.763 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.078 5.341 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.358 4.193 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.419 5.937 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.149 4.777 -4.335 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.704 3.502 -4.986 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.450 2.260 -4.822 1.00 0.00 C ATOM 1034 C ARG A 69 -7.666 2.232 -5.742 1.00 0.00 C ATOM 1035 O ARG A 69 -8.019 1.187 -6.289 1.00 0.00 O ATOM 1036 CB ARG A 69 -6.893 2.094 -3.368 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.890 3.146 -2.911 1.00 0.00 C ATOM 1038 CD ARG A 69 -9.323 2.699 -3.155 1.00 0.00 C ATOM 1039 NE ARG A 69 -10.269 3.806 -3.043 1.00 0.00 N ATOM 1040 CZ ARG A 69 -11.580 3.642 -2.912 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -12.099 2.422 -2.877 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -12.376 4.699 -2.816 1.00 0.00 N ATOM 0 H ARG A 69 -5.760 4.135 -4.188 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.793 1.433 -5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.337 1.106 -3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.015 2.133 -2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.747 3.348 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.704 4.080 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.400 2.255 -4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.587 1.922 -2.437 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.902 4.758 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.491 1.607 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.107 2.299 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.981 5.639 -2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.383 4.572 -2.715 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.304 3.386 -5.908 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.482 3.493 -6.760 1.00 0.00 C ATOM 1058 C ARG A 70 -9.149 3.110 -8.199 1.00 0.00 C ATOM 1059 O ARG A 70 -10.039 2.970 -9.038 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.041 4.917 -6.717 1.00 0.00 C ATOM 1061 CG ARG A 70 -10.981 5.237 -7.868 1.00 0.00 C ATOM 1062 CD ARG A 70 -11.870 6.428 -7.546 1.00 0.00 C ATOM 1063 NE ARG A 70 -12.549 6.940 -8.733 1.00 0.00 N ATOM 1064 CZ ARG A 70 -11.940 7.638 -9.685 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -10.644 7.905 -9.589 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -12.626 8.070 -10.735 1.00 0.00 N ATOM 0 H ARG A 70 -8.025 4.260 -5.463 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.236 2.802 -6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.571 5.062 -5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.212 5.624 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.400 5.447 -8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.601 4.367 -8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.611 6.137 -6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.268 7.221 -7.103 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.546 6.751 -8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.113 7.574 -8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.178 8.441 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.622 7.866 -10.812 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.157 8.606 -11.465 1.00 0.00 H new ATOM 1080 N LYS A 71 -7.861 2.941 -8.477 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.409 2.573 -9.814 1.00 0.00 C ATOM 1082 C LYS A 71 -7.151 1.073 -9.907 1.00 0.00 C ATOM 1083 O LYS A 71 -7.301 0.471 -10.971 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.136 3.343 -10.174 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.661 3.101 -11.596 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.491 4.003 -11.954 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.623 3.385 -13.040 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.599 4.342 -13.543 1.00 0.00 N ATOM 0 H LYS A 71 -7.111 3.053 -7.794 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.197 2.833 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.315 4.409 -10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.343 3.061 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.366 2.058 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.483 3.277 -12.290 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.865 4.969 -12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.887 4.188 -11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.128 2.497 -12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.253 3.060 -13.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.301 4.061 -14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.004 5.299 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.776 4.336 -12.907 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.764 0.473 -8.787 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.486 -0.958 -8.741 1.00 0.00 C ATOM 1104 C LEU A 72 -7.577 -1.700 -7.976 1.00 0.00 C ATOM 1105 O LEU A 72 -7.550 -2.926 -7.870 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.126 -1.214 -8.089 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.043 -0.171 -8.365 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.873 -0.351 -7.410 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.573 -0.258 -9.810 1.00 0.00 C ATOM 0 H LEU A 72 -6.635 0.956 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.467 -1.332 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.270 -1.283 -7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.761 -2.185 -8.425 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.469 0.819 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.112 0.400 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.220 -0.237 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.447 -1.346 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.802 0.492 -9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.164 -1.250 -10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.415 -0.078 -10.478 1.00 0.00 H new ATOM 1121 N MET A 73 -8.538 -0.949 -7.447 1.00 0.00 N ATOM 1122 CA MET A 73 -9.640 -1.537 -6.695 1.00 0.00 C ATOM 1123 C MET A 73 -10.365 -2.591 -7.526 1.00 0.00 C ATOM 1124 O MET A 73 -10.580 -3.721 -7.088 1.00 0.00 O ATOM 1125 CB MET A 73 -10.624 -0.449 -6.259 1.00 0.00 C ATOM 1126 CG MET A 73 -11.252 -0.708 -4.898 1.00 0.00 C ATOM 1127 SD MET A 73 -12.455 -2.051 -4.932 1.00 0.00 S ATOM 1128 CE MET A 73 -11.553 -3.336 -4.070 1.00 0.00 C ATOM 0 H MET A 73 -8.575 0.067 -7.525 1.00 0.00 H new ATOM 0 HA MET A 73 -9.226 -2.020 -5.810 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.106 0.510 -6.235 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.414 -0.365 -7.005 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.468 -0.946 -4.180 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.739 0.202 -4.548 1.00 0.00 H new ATOM 0 HE1 MET A 73 -12.114 -4.269 -4.118 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.579 -3.474 -4.539 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.416 -3.048 -3.028 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.751 -2.215 -8.754 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.457 -3.114 -9.672 1.00 0.00 C ATOM 1140 C PRO A 74 -10.561 -4.234 -10.190 1.00 0.00 C ATOM 1141 O PRO A 74 -10.975 -5.039 -11.023 1.00 0.00 O ATOM 1142 CB PRO A 74 -11.877 -2.191 -10.819 1.00 0.00 C ATOM 1143 CG PRO A 74 -10.891 -1.075 -10.788 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.528 -0.883 -9.342 1.00 0.00 C ATOM 0 HA PRO A 74 -12.291 -3.620 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.854 -2.713 -11.776 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.894 -1.825 -10.680 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.010 -1.316 -11.383 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.319 -0.164 -11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.493 -0.561 -9.227 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.152 -0.125 -8.868 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.329 -4.279 -9.691 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.394 -5.305 -10.115 1.00 0.00 C ATOM 1154 C GLY A 75 -8.158 -5.291 -11.612 1.00 0.00 C ATOM 1155 O GLY A 75 -7.758 -6.299 -12.194 1.00 0.00 O ATOM 0 H GLY A 75 -8.962 -3.623 -9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.444 -5.162 -9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.774 -6.283 -9.819 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.406 -4.145 -12.237 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.220 -4.004 -13.677 1.00 0.00 C ATOM 1161 C ARG A 76 -6.746 -4.136 -14.050 1.00 0.00 C ATOM 1162 O ARG A 76 -6.406 -4.728 -15.075 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.759 -2.654 -14.153 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.213 -2.700 -14.594 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.982 -3.792 -13.867 1.00 0.00 C ATOM 1166 NE ARG A 76 -12.409 -3.493 -13.782 1.00 0.00 N ATOM 1167 CZ ARG A 76 -13.317 -4.360 -13.351 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -12.949 -5.574 -12.966 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -14.597 -4.014 -13.303 1.00 0.00 N ATOM 0 H ARG A 76 -8.736 -3.301 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.775 -4.803 -14.170 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.655 -1.927 -13.348 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.147 -2.300 -14.983 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.683 -1.735 -14.404 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.263 -2.873 -15.669 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.841 -4.741 -14.385 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.577 -3.913 -12.862 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.725 -2.567 -14.070 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.966 -5.844 -13.001 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.649 -6.238 -12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.884 -3.081 -13.598 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.294 -4.681 -12.972 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.877 -3.579 -13.213 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.441 -3.635 -13.455 1.00 0.00 C ATOM 1185 C ILE A 77 -3.814 -4.841 -12.764 1.00 0.00 C ATOM 1186 O ILE A 77 -4.102 -5.122 -11.601 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.738 -2.355 -12.967 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.204 -1.148 -13.784 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.227 -2.512 -13.060 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.394 -0.435 -13.181 1.00 0.00 C ATOM 0 H ILE A 77 -6.143 -3.084 -12.362 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.306 -3.726 -14.533 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.003 -2.188 -11.923 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.378 -0.443 -13.880 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.460 -1.478 -14.791 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.744 -1.599 -12.712 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.909 -3.350 -12.440 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.944 -2.700 -14.096 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.670 0.410 -13.812 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.235 -1.125 -13.111 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.136 -0.075 -12.185 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.953 -5.550 -13.488 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.284 -6.725 -12.944 1.00 0.00 C ATOM 1204 C GLN A 78 -0.778 -6.502 -12.855 1.00 0.00 C ATOM 1205 O GLN A 78 -0.192 -5.805 -13.685 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.579 -7.952 -13.808 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.047 -8.347 -13.822 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.323 -9.535 -14.723 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -3.859 -9.586 -15.862 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -5.081 -10.500 -14.215 1.00 0.00 N ATOM 0 H GLN A 78 -2.703 -5.331 -14.452 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.668 -6.897 -11.938 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.255 -7.753 -14.830 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.988 -8.793 -13.444 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.365 -8.584 -12.807 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.645 -7.498 -14.153 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.445 -10.416 -13.266 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.299 -11.325 -14.774 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.155 -7.096 -11.842 1.00 0.00 N ATOM 1220 CA LEU A 79 1.284 -6.961 -11.644 1.00 0.00 C ATOM 1221 C LEU A 79 2.015 -8.223 -12.090 1.00 0.00 C ATOM 1222 O LEU A 79 1.873 -9.283 -11.479 1.00 0.00 O ATOM 1223 CB LEU A 79 1.591 -6.672 -10.174 1.00 0.00 C ATOM 1224 CG LEU A 79 1.057 -5.349 -9.624 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.292 -5.260 -8.124 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.708 -4.173 -10.338 1.00 0.00 C ATOM 0 H LEU A 79 -0.624 -7.675 -11.146 1.00 0.00 H new ATOM 0 HA LEU A 79 1.634 -6.127 -12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.183 -7.484 -9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.673 -6.688 -10.040 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.017 -5.310 -9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.905 -4.312 -7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.779 -6.082 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.361 -5.322 -7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.316 -3.240 -9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.787 -4.209 -10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.488 -4.227 -11.404 1.00 0.00 H new ATOM 1238 N TRP A 80 2.798 -8.102 -13.155 1.00 0.00 N ATOM 1239 CA TRP A 80 3.554 -9.234 -13.681 1.00 0.00 C ATOM 1240 C TRP A 80 2.623 -10.378 -14.067 1.00 0.00 C ATOM 1241 O TRP A 80 2.995 -11.547 -13.988 1.00 0.00 O ATOM 1242 CB TRP A 80 4.574 -9.716 -12.649 1.00 0.00 C ATOM 1243 CG TRP A 80 5.294 -8.598 -11.958 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.308 -7.838 -12.468 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.057 -8.115 -10.632 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.716 -6.912 -11.538 1.00 0.00 N ATOM 1247 CE2 TRP A 80 5.963 -7.061 -10.403 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.166 -8.469 -9.615 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.002 -6.361 -9.200 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.206 -7.774 -8.422 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.118 -6.729 -8.223 1.00 0.00 C ATOM 0 H TRP A 80 2.927 -7.232 -13.672 1.00 0.00 H new ATOM 0 HA TRP A 80 4.082 -8.903 -14.575 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.065 -10.326 -11.903 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.304 -10.358 -13.142 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.728 -7.949 -13.457 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.459 -6.225 -11.671 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.458 -9.272 -9.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.705 -5.556 -9.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.523 -8.041 -7.629 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.123 -6.204 -7.279 1.00 0.00 H new ATOM 1262 N GLY A 81 1.409 -10.032 -14.486 1.00 0.00 N ATOM 1263 CA GLY A 81 0.444 -11.043 -14.878 1.00 0.00 C ATOM 1264 C GLY A 81 -0.295 -11.630 -13.692 1.00 0.00 C ATOM 1265 O GLY A 81 -1.112 -12.538 -13.848 1.00 0.00 O ATOM 0 H GLY A 81 1.077 -9.070 -14.561 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.275 -10.605 -15.570 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.957 -11.842 -15.414 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.008 -11.112 -12.502 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.651 -11.591 -11.284 1.00 0.00 C ATOM 1271 C HIS A 82 -1.693 -10.592 -10.790 1.00 0.00 C ATOM 1272 O HIS A 82 -1.409 -9.403 -10.652 1.00 0.00 O ATOM 1273 CB HIS A 82 0.393 -11.837 -10.194 1.00 0.00 C ATOM 1274 CG HIS A 82 1.281 -13.011 -10.469 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.634 -13.931 -9.504 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.887 -13.414 -11.610 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.420 -14.847 -10.039 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.589 -14.558 -11.317 1.00 0.00 N ATOM 0 H HIS A 82 0.666 -10.360 -12.355 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.154 -12.530 -11.514 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.009 -10.944 -10.084 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.116 -11.992 -9.243 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.829 -12.927 -12.572 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.852 -15.690 -9.520 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.149 -15.096 -11.978 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.900 -11.084 -10.528 1.00 0.00 N ATOM 1287 CA GLN A 83 -3.984 -10.233 -10.052 1.00 0.00 C ATOM 1288 C GLN A 83 -3.652 -9.641 -8.686 1.00 0.00 C ATOM 1289 O GLN A 83 -3.052 -10.306 -7.840 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.288 -11.029 -9.972 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.521 -10.160 -9.787 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.781 -10.814 -10.319 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -7.807 -11.317 -11.443 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -8.836 -10.811 -9.512 1.00 0.00 N ATOM 0 H GLN A 83 -3.151 -12.066 -10.637 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.108 -9.415 -10.762 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.401 -11.617 -10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.223 -11.734 -9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.650 -9.940 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.369 -9.207 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.770 -10.383 -8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.712 -11.237 -9.816 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.044 -8.389 -8.479 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.788 -7.708 -7.215 1.00 0.00 C ATOM 1305 C ILE A 84 -5.025 -6.958 -6.735 1.00 0.00 C ATOM 1306 O ILE A 84 -5.865 -6.547 -7.535 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.615 -6.717 -7.338 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.763 -5.872 -8.604 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.290 -7.463 -7.344 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.615 -4.637 -8.411 1.00 0.00 C ATOM 0 H ILE A 84 -4.540 -7.825 -9.169 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.528 -8.477 -6.488 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.630 -6.050 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.773 -5.571 -8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.200 -6.486 -9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.471 -6.749 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.184 -8.025 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.264 -8.151 -8.189 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.676 -4.087 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.617 -4.931 -8.097 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.167 -4.002 -7.647 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.130 -6.781 -5.422 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.263 -6.076 -4.834 1.00 0.00 C ATOM 1324 C ALA A 85 -5.797 -5.046 -3.810 1.00 0.00 C ATOM 1325 O ALA A 85 -4.895 -5.310 -3.015 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.224 -7.065 -4.191 1.00 0.00 C ATOM 0 H ALA A 85 -4.444 -7.116 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.784 -5.547 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.065 -6.525 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.591 -7.760 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.706 -7.620 -3.409 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.418 -3.871 -3.836 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.068 -2.801 -2.909 1.00 0.00 C ATOM 1334 C VAL A 86 -7.142 -2.624 -1.842 1.00 0.00 C ATOM 1335 O VAL A 86 -8.329 -2.525 -2.153 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.866 -1.464 -3.646 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.597 -1.502 -4.484 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.076 -1.145 -4.511 1.00 0.00 C ATOM 0 H VAL A 86 -7.166 -3.636 -4.489 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.131 -3.090 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.759 -0.673 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.471 -0.549 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.739 -1.682 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.671 -2.303 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.916 -0.197 -5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.216 -1.937 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.964 -1.072 -3.882 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.718 -2.583 -0.584 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.644 -2.416 0.530 1.00 0.00 C ATOM 1350 C ASP A 87 -7.123 -1.377 1.518 1.00 0.00 C ATOM 1351 O ASP A 87 -5.919 -1.135 1.601 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.865 -3.751 1.243 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.331 -4.841 0.298 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -9.292 -4.598 -0.461 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -7.734 -5.938 0.318 1.00 0.00 O ATOM 0 H ASP A 87 -5.739 -2.663 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.596 -2.066 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.937 -4.062 1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.603 -3.619 2.034 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.037 -0.768 2.264 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.669 0.246 3.247 1.00 0.00 C ATOM 1362 C TRP A 88 -6.979 -0.387 4.450 1.00 0.00 C ATOM 1363 O TRP A 88 -7.625 -1.024 5.283 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.908 1.018 3.701 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.221 2.202 2.837 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.392 2.450 2.178 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.350 3.297 2.535 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.300 3.633 1.486 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.058 4.173 1.689 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.041 3.625 2.900 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.499 5.352 1.203 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.488 4.795 2.415 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.216 5.647 1.575 1.00 0.00 C ATOM 0 H TRP A 88 -9.038 -0.958 2.208 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.971 0.938 2.775 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.765 0.345 3.706 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.761 1.355 4.727 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.262 1.810 2.198 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.038 4.043 0.913 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.472 2.976 3.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.059 6.010 0.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.477 5.057 2.689 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.755 6.555 1.214 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.665 -0.208 4.536 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.889 -0.761 5.639 1.00 0.00 C ATOM 1386 C ALA A 89 -5.430 -0.284 6.983 1.00 0.00 C ATOM 1387 O ALA A 89 -5.803 -1.092 7.833 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.423 -0.383 5.494 1.00 0.00 C ATOM 0 H ALA A 89 -5.116 0.316 3.855 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.978 -1.847 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.855 -0.803 6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.037 -0.778 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.325 0.703 5.499 1.00 0.00 H new ATOM 1394 N GLU A 90 -5.468 1.032 7.167 1.00 0.00 N ATOM 1395 CA GLU A 90 -5.962 1.615 8.409 1.00 0.00 C ATOM 1396 C GLU A 90 -6.361 3.073 8.205 1.00 0.00 C ATOM 1397 O GLU A 90 -5.700 3.830 7.495 1.00 0.00 O ATOM 1398 CB GLU A 90 -4.898 1.514 9.504 1.00 0.00 C ATOM 1399 CG GLU A 90 -4.703 0.105 10.037 1.00 0.00 C ATOM 1400 CD GLU A 90 -3.700 -0.692 9.226 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -2.801 -0.073 8.620 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -3.814 -1.936 9.197 1.00 0.00 O ATOM 0 H GLU A 90 -5.163 1.714 6.473 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.845 1.055 8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.949 1.879 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.175 2.170 10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.368 0.156 11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.661 -0.415 10.036 1.00 0.00 H new ATOM 1409 N PRO A 91 -7.470 3.477 8.842 1.00 0.00 N ATOM 1410 CA PRO A 91 -7.984 4.847 8.747 1.00 0.00 C ATOM 1411 C PRO A 91 -7.088 5.853 9.462 1.00 0.00 C ATOM 1412 O PRO A 91 -6.709 6.875 8.891 1.00 0.00 O ATOM 1413 CB PRO A 91 -9.349 4.763 9.434 1.00 0.00 C ATOM 1414 CG PRO A 91 -9.230 3.612 10.372 1.00 0.00 C ATOM 1415 CD PRO A 91 -8.308 2.628 9.706 1.00 0.00 C ATOM 0 HA PRO A 91 -8.032 5.193 7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.582 5.685 9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.148 4.603 8.710 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.830 3.932 11.334 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.205 3.164 10.566 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.709 2.081 10.435 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.860 1.887 9.128 1.00 0.00 H new ATOM 1423 N GLU A 92 -6.754 5.556 10.714 1.00 0.00 N ATOM 1424 CA GLU A 92 -5.903 6.436 11.506 1.00 0.00 C ATOM 1425 C GLU A 92 -5.332 5.699 12.714 1.00 0.00 C ATOM 1426 O GLU A 92 -6.052 5.396 13.666 1.00 0.00 O ATOM 1427 CB GLU A 92 -6.691 7.663 11.969 1.00 0.00 C ATOM 1428 CG GLU A 92 -6.630 8.828 10.995 1.00 0.00 C ATOM 1429 CD GLU A 92 -6.997 10.149 11.643 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -7.832 10.142 12.572 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -6.451 11.190 11.221 1.00 0.00 O ATOM 0 H GLU A 92 -7.060 4.714 11.201 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.075 6.761 10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.733 7.380 12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.306 7.988 12.936 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.624 8.898 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.306 8.636 10.162 1.00 0.00 H new ATOM 1438 N ILE A 93 -4.036 5.413 12.667 1.00 0.00 N ATOM 1439 CA ILE A 93 -3.369 4.712 13.757 1.00 0.00 C ATOM 1440 C ILE A 93 -2.650 5.689 14.681 1.00 0.00 C ATOM 1441 O ILE A 93 -2.706 6.903 14.482 1.00 0.00 O ATOM 1442 CB ILE A 93 -2.353 3.683 13.226 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -2.788 3.164 11.854 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -2.201 2.532 14.210 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -2.306 4.020 10.704 1.00 0.00 C ATOM 0 H ILE A 93 -3.427 5.656 11.886 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.144 4.190 14.317 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.385 4.173 13.118 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.413 2.149 11.723 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.876 3.108 11.824 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.480 1.813 13.821 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.850 2.916 15.168 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.164 2.041 14.347 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.651 3.593 9.763 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.702 5.030 10.811 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.217 4.055 10.708 1.00 0.00 H new ATOM 1457 N ASP A 94 -1.974 5.152 15.690 1.00 0.00 N ATOM 1458 CA ASP A 94 -1.241 5.976 16.644 1.00 0.00 C ATOM 1459 C ASP A 94 0.222 6.109 16.236 1.00 0.00 C ATOM 1460 O ASP A 94 1.112 6.164 17.085 1.00 0.00 O ATOM 1461 CB ASP A 94 -1.339 5.378 18.049 1.00 0.00 C ATOM 1462 CG ASP A 94 -2.629 5.758 18.751 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -3.037 6.934 18.647 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -3.229 4.879 19.402 1.00 0.00 O ATOM 0 H ASP A 94 -1.918 4.149 15.869 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.690 6.969 16.648 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.270 4.292 17.984 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.491 5.716 18.645 1.00 0.00 H new ATOM 1469 N VAL A 95 0.465 6.159 14.930 1.00 0.00 N ATOM 1470 CA VAL A 95 1.820 6.285 14.408 1.00 0.00 C ATOM 1471 C VAL A 95 2.543 7.472 15.036 1.00 0.00 C ATOM 1472 O VAL A 95 3.772 7.511 15.080 1.00 0.00 O ATOM 1473 CB VAL A 95 1.819 6.451 12.877 1.00 0.00 C ATOM 1474 CG1 VAL A 95 1.045 5.319 12.218 1.00 0.00 C ATOM 1475 CG2 VAL A 95 1.239 7.802 12.488 1.00 0.00 C ATOM 0 H VAL A 95 -0.260 6.114 14.214 1.00 0.00 H new ATOM 0 HA VAL A 95 2.345 5.365 14.666 1.00 0.00 H new ATOM 0 HB VAL A 95 2.849 6.409 12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.055 5.453 11.136 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.510 4.366 12.470 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.015 5.326 12.575 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.246 7.902 11.403 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.215 7.877 12.853 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.840 8.597 12.930 1.00 0.00 H new ATOM 1485 N ASP A 96 1.771 8.438 15.521 1.00 0.00 N ATOM 1486 CA ASP A 96 2.336 9.626 16.149 1.00 0.00 C ATOM 1487 C ASP A 96 3.260 9.244 17.302 1.00 0.00 C ATOM 1488 O ASP A 96 4.397 9.709 17.379 1.00 0.00 O ATOM 1489 CB ASP A 96 1.221 10.542 16.655 1.00 0.00 C ATOM 1490 CG ASP A 96 1.728 11.592 17.623 1.00 0.00 C ATOM 1491 OD1 ASP A 96 2.363 12.564 17.164 1.00 0.00 O ATOM 1492 OD2 ASP A 96 1.491 11.442 18.840 1.00 0.00 O ATOM 0 H ASP A 96 0.752 8.421 15.491 1.00 0.00 H new ATOM 0 HA ASP A 96 2.921 10.159 15.399 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.746 11.034 15.806 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.455 9.941 17.145 1.00 0.00 H new ATOM 1497 N GLU A 97 2.762 8.396 18.197 1.00 0.00 N ATOM 1498 CA GLU A 97 3.542 7.954 19.346 1.00 0.00 C ATOM 1499 C GLU A 97 4.462 6.797 18.967 1.00 0.00 C ATOM 1500 O GLU A 97 5.680 6.878 19.133 1.00 0.00 O ATOM 1501 CB GLU A 97 2.615 7.530 20.488 1.00 0.00 C ATOM 1502 CG GLU A 97 3.250 7.648 21.863 1.00 0.00 C ATOM 1503 CD GLU A 97 2.231 7.578 22.984 1.00 0.00 C ATOM 1504 OE1 GLU A 97 1.584 8.608 23.264 1.00 0.00 O ATOM 1505 OE2 GLU A 97 2.081 6.491 23.581 1.00 0.00 O ATOM 0 H GLU A 97 1.822 8.002 18.148 1.00 0.00 H new ATOM 0 HA GLU A 97 4.157 8.790 19.678 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.714 8.142 20.460 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.304 6.498 20.328 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.981 6.850 21.991 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.793 8.591 21.929 1.00 0.00 H new ATOM 1512 N ASP A 98 3.871 5.722 18.458 1.00 0.00 N ATOM 1513 CA ASP A 98 4.636 4.548 18.055 1.00 0.00 C ATOM 1514 C ASP A 98 4.291 4.139 16.626 1.00 0.00 C ATOM 1515 O ASP A 98 3.157 3.760 16.334 1.00 0.00 O ATOM 1516 CB ASP A 98 4.367 3.384 19.010 1.00 0.00 C ATOM 1517 CG ASP A 98 4.928 3.632 20.397 1.00 0.00 C ATOM 1518 OD1 ASP A 98 4.504 4.613 21.042 1.00 0.00 O ATOM 1519 OD2 ASP A 98 5.791 2.844 20.837 1.00 0.00 O ATOM 0 H ASP A 98 2.865 5.639 18.315 1.00 0.00 H new ATOM 0 HA ASP A 98 5.695 4.804 18.096 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.292 3.216 19.080 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.805 2.474 18.601 1.00 0.00 H new ATOM 1524 N VAL A 99 5.278 4.219 15.739 1.00 0.00 N ATOM 1525 CA VAL A 99 5.079 3.858 14.340 1.00 0.00 C ATOM 1526 C VAL A 99 5.994 2.708 13.934 1.00 0.00 C ATOM 1527 O VAL A 99 5.667 1.927 13.042 1.00 0.00 O ATOM 1528 CB VAL A 99 5.336 5.057 13.409 1.00 0.00 C ATOM 1529 CG1 VAL A 99 6.767 5.553 13.558 1.00 0.00 C ATOM 1530 CG2 VAL A 99 5.041 4.683 11.964 1.00 0.00 C ATOM 0 H VAL A 99 6.223 4.530 15.964 1.00 0.00 H new ATOM 0 HA VAL A 99 4.040 3.545 14.239 1.00 0.00 H new ATOM 0 HB VAL A 99 4.665 5.866 13.695 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.930 6.401 12.892 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.939 5.863 14.589 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.459 4.751 13.300 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.228 5.542 11.320 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.686 3.857 11.663 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.998 4.381 11.872 1.00 0.00 H new ATOM 1540 N MET A 100 7.142 2.611 14.597 1.00 0.00 N ATOM 1541 CA MET A 100 8.105 1.554 14.306 1.00 0.00 C ATOM 1542 C MET A 100 8.076 0.480 15.388 1.00 0.00 C ATOM 1543 O MET A 100 7.514 0.685 16.463 1.00 0.00 O ATOM 1544 CB MET A 100 9.514 2.138 14.187 1.00 0.00 C ATOM 1545 CG MET A 100 10.012 2.790 15.466 1.00 0.00 C ATOM 1546 SD MET A 100 11.743 3.285 15.366 1.00 0.00 S ATOM 1547 CE MET A 100 12.019 3.889 17.029 1.00 0.00 C ATOM 0 H MET A 100 7.428 3.250 15.338 1.00 0.00 H new ATOM 0 HA MET A 100 7.829 1.095 13.357 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.204 1.344 13.901 1.00 0.00 H new ATOM 0 HB3 MET A 100 9.526 2.876 13.384 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.400 3.665 15.685 1.00 0.00 H new ATOM 0 HG3 MET A 100 9.884 2.096 16.297 1.00 0.00 H new ATOM 0 HE1 MET A 100 13.049 4.232 17.125 1.00 0.00 H new ATOM 0 HE2 MET A 100 11.340 4.717 17.233 1.00 0.00 H new ATOM 0 HE3 MET A 100 11.836 3.086 17.743 1.00 0.00 H new ATOM 1557 N GLU A 101 8.685 -0.665 15.095 1.00 0.00 N ATOM 1558 CA GLU A 101 8.727 -1.771 16.044 1.00 0.00 C ATOM 1559 C GLU A 101 10.131 -2.364 16.127 1.00 0.00 C ATOM 1560 O GLU A 101 10.792 -2.570 15.109 1.00 0.00 O ATOM 1561 CB GLU A 101 7.727 -2.857 15.641 1.00 0.00 C ATOM 1562 CG GLU A 101 6.277 -2.464 15.871 1.00 0.00 C ATOM 1563 CD GLU A 101 5.337 -3.653 15.836 1.00 0.00 C ATOM 1564 OE1 GLU A 101 5.426 -4.452 14.880 1.00 0.00 O ATOM 1565 OE2 GLU A 101 4.513 -3.786 16.765 1.00 0.00 O ATOM 0 H GLU A 101 9.155 -0.850 14.209 1.00 0.00 H new ATOM 0 HA GLU A 101 8.456 -1.383 17.026 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.867 -3.095 14.587 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.942 -3.765 16.204 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.189 -1.964 16.836 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.975 -1.744 15.110 1.00 0.00 H new ATOM 1572 N THR A 102 10.582 -2.635 17.348 1.00 0.00 N ATOM 1573 CA THR A 102 11.907 -3.201 17.566 1.00 0.00 C ATOM 1574 C THR A 102 11.815 -4.641 18.059 1.00 0.00 C ATOM 1575 O THR A 102 10.773 -5.074 18.551 1.00 0.00 O ATOM 1576 CB THR A 102 12.712 -2.372 18.583 1.00 0.00 C ATOM 1577 OG1 THR A 102 12.039 -2.359 19.847 1.00 0.00 O ATOM 1578 CG2 THR A 102 12.902 -0.946 18.090 1.00 0.00 C ATOM 0 H THR A 102 10.048 -2.471 18.202 1.00 0.00 H new ATOM 0 HA THR A 102 12.421 -3.181 16.605 1.00 0.00 H new ATOM 0 HB THR A 102 13.693 -2.833 18.699 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.558 -1.831 20.489 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.474 -0.380 18.825 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.441 -0.957 17.142 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.928 -0.477 17.948 1.00 0.00 H new ATOM 1586 N VAL A 103 12.913 -5.378 17.926 1.00 0.00 N ATOM 1587 CA VAL A 103 12.957 -6.769 18.360 1.00 0.00 C ATOM 1588 C VAL A 103 14.025 -6.978 19.428 1.00 0.00 C ATOM 1589 O VAL A 103 13.738 -7.470 20.520 1.00 0.00 O ATOM 1590 CB VAL A 103 13.234 -7.718 17.179 1.00 0.00 C ATOM 1591 CG1 VAL A 103 13.324 -9.158 17.660 1.00 0.00 C ATOM 1592 CG2 VAL A 103 12.160 -7.569 16.113 1.00 0.00 C ATOM 0 H VAL A 103 13.784 -5.035 17.521 1.00 0.00 H new ATOM 0 HA VAL A 103 11.978 -7.000 18.779 1.00 0.00 H new ATOM 0 HB VAL A 103 14.193 -7.448 16.736 1.00 0.00 H new ATOM 0 HG11 VAL A 103 13.520 -9.813 16.811 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.134 -9.250 18.384 1.00 0.00 H new ATOM 0 HG13 VAL A 103 12.383 -9.444 18.130 1.00 0.00 H new ATOM 0 HG21 VAL A 103 12.372 -8.247 15.286 1.00 0.00 H new ATOM 0 HG22 VAL A 103 11.187 -7.811 16.541 1.00 0.00 H new ATOM 0 HG23 VAL A 103 12.150 -6.542 15.747 1.00 0.00 H new ATOM 1602 N SER A 104 15.258 -6.601 19.105 1.00 0.00 N ATOM 1603 CA SER A 104 16.371 -6.751 20.035 1.00 0.00 C ATOM 1604 C SER A 104 16.102 -5.989 21.330 1.00 0.00 C ATOM 1605 O SER A 104 16.337 -4.785 21.415 1.00 0.00 O ATOM 1606 CB SER A 104 17.668 -6.251 19.396 1.00 0.00 C ATOM 1607 OG SER A 104 17.547 -4.899 18.987 1.00 0.00 O ATOM 0 H SER A 104 15.511 -6.190 18.207 1.00 0.00 H new ATOM 0 HA SER A 104 16.476 -7.810 20.271 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.488 -6.347 20.107 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.917 -6.873 18.537 1.00 0.00 H new ATOM 0 HG SER A 104 17.113 -4.380 19.696 1.00 0.00 H new ATOM 1613 N GLY A 105 15.608 -6.703 22.337 1.00 0.00 N ATOM 1614 CA GLY A 105 15.315 -6.079 23.615 1.00 0.00 C ATOM 1615 C GLY A 105 16.405 -6.319 24.640 1.00 0.00 C ATOM 1616 O GLY A 105 17.180 -7.270 24.543 1.00 0.00 O ATOM 0 H GLY A 105 15.405 -7.702 22.291 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.186 -5.006 23.471 1.00 0.00 H new ATOM 0 HA3 GLY A 105 14.370 -6.466 23.997 1.00 0.00 H new ATOM 1620 N PRO A 106 16.475 -5.440 25.651 1.00 0.00 N ATOM 1621 CA PRO A 106 17.475 -5.539 26.718 1.00 0.00 C ATOM 1622 C PRO A 106 17.224 -6.728 27.640 1.00 0.00 C ATOM 1623 O PRO A 106 16.359 -6.677 28.513 1.00 0.00 O ATOM 1624 CB PRO A 106 17.309 -4.225 27.484 1.00 0.00 C ATOM 1625 CG PRO A 106 15.902 -3.810 27.222 1.00 0.00 C ATOM 1626 CD PRO A 106 15.583 -4.283 25.831 1.00 0.00 C ATOM 0 HA PRO A 106 18.479 -5.693 26.322 1.00 0.00 H new ATOM 0 HB2 PRO A 106 17.489 -4.363 28.550 1.00 0.00 H new ATOM 0 HB3 PRO A 106 18.016 -3.472 27.136 1.00 0.00 H new ATOM 0 HG2 PRO A 106 15.222 -4.253 27.950 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.793 -2.728 27.301 1.00 0.00 H new ATOM 0 HD2 PRO A 106 14.535 -4.565 25.733 1.00 0.00 H new ATOM 0 HD3 PRO A 106 15.775 -3.508 25.089 1.00 0.00 H new ATOM 1634 N SER A 107 17.987 -7.798 27.439 1.00 0.00 N ATOM 1635 CA SER A 107 17.845 -9.001 28.250 1.00 0.00 C ATOM 1636 C SER A 107 16.383 -9.239 28.618 1.00 0.00 C ATOM 1637 O SER A 107 16.068 -9.597 29.752 1.00 0.00 O ATOM 1638 CB SER A 107 18.691 -8.889 29.520 1.00 0.00 C ATOM 1639 OG SER A 107 20.074 -8.938 29.217 1.00 0.00 O ATOM 0 H SER A 107 18.710 -7.856 26.721 1.00 0.00 H new ATOM 0 HA SER A 107 18.196 -9.849 27.662 1.00 0.00 H new ATOM 0 HB2 SER A 107 18.461 -7.955 30.033 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.436 -9.699 30.203 1.00 0.00 H new ATOM 0 HG SER A 107 20.593 -8.863 30.045 1.00 0.00 H new ATOM 1645 N SER A 108 15.495 -9.036 27.650 1.00 0.00 N ATOM 1646 CA SER A 108 14.066 -9.223 27.872 1.00 0.00 C ATOM 1647 C SER A 108 13.737 -10.700 28.070 1.00 0.00 C ATOM 1648 O SER A 108 12.983 -11.064 28.971 1.00 0.00 O ATOM 1649 CB SER A 108 13.268 -8.664 26.692 1.00 0.00 C ATOM 1650 OG SER A 108 11.916 -9.085 26.747 1.00 0.00 O ATOM 0 H SER A 108 15.740 -8.742 26.705 1.00 0.00 H new ATOM 0 HA SER A 108 13.789 -8.682 28.777 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.314 -7.575 26.701 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.717 -8.994 25.756 1.00 0.00 H new ATOM 0 HG SER A 108 11.426 -8.714 25.983 1.00 0.00 H new ATOM 1656 N GLY A 109 14.308 -11.547 27.219 1.00 0.00 N ATOM 1657 CA GLY A 109 14.064 -12.974 27.316 1.00 0.00 C ATOM 1658 C GLY A 109 14.118 -13.664 25.968 1.00 0.00 C ATOM 1659 O GLY A 109 15.017 -13.408 25.167 1.00 0.00 O ATOM 0 H GLY A 109 14.935 -11.270 26.464 1.00 0.00 H new ATOM 0 HA2 GLY A 109 14.804 -13.422 27.980 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.087 -13.142 27.768 1.00 0.00 H new TER 1663 GLY A 109