USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 715 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 94 ASN : amide:sc= -0.167 K(o=0.073,f=-1.7) USER MOD Set 1.2: A 132 TYR OH : rot -88:sc= 0.24 USER MOD Set 2.1: A 88 THR OG1 : rot 91:sc= 1.26 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.904 K(o=2.2,f=-5.2!) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -7.62! C(o=-6.4!,f=-15!) USER MOD Set 3.2: A 87 THR OG1 : rot -47:sc= 1.21 USER MOD Single : A 47 THR OG1 : rot -32:sc= 0.145 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.78 K(o=-1.8,f=-2.4) USER MOD Single : A 59 TYR OH : rot 51:sc= 0.42 USER MOD Single : A 60 THR OG1 : rot 150:sc= -0.0106 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 150:sc= -2.66 (180deg=-6.24!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.265 X(o=-0.26,f=-0.6) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 78 TYR OH : rot -71:sc= -0.783 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.362 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0576) USER MOD Single : A 93 THR OG1 : rot 111:sc= -1.35! USER MOD Single : A 97 ASN : amide:sc=-0.00858 K(o=-0.0086,f=-1.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 93:sc= 1.21 USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= -0.0742 (180deg=-0.361) USER MOD Single : A 125 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= -0.0151 F(o=-0.81,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.741 13.134 -1.314 1.00 0.00 N ATOM 103 CA THR A 47 4.543 12.244 -2.450 1.00 0.00 C ATOM 104 C THR A 47 5.365 10.969 -2.300 1.00 0.00 C ATOM 105 O THR A 47 6.024 10.530 -3.244 1.00 0.00 O ATOM 106 CB THR A 47 4.920 12.932 -3.776 1.00 0.00 C ATOM 107 OG1 THR A 47 6.246 13.466 -3.690 1.00 0.00 O ATOM 108 CG2 THR A 47 3.939 14.047 -4.105 1.00 0.00 C ATOM 0 HA THR A 47 3.483 11.989 -2.470 1.00 0.00 H new ATOM 0 HB THR A 47 4.879 12.188 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.427 13.745 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.226 14.518 -5.045 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.935 13.633 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.952 14.790 -3.308 1.00 0.00 H new ATOM 116 N ILE A 48 5.322 10.380 -1.110 1.00 0.00 N ATOM 117 CA ILE A 48 6.063 9.154 -0.839 1.00 0.00 C ATOM 118 C ILE A 48 5.430 7.961 -1.547 1.00 0.00 C ATOM 119 O ILE A 48 6.118 7.011 -1.921 1.00 0.00 O ATOM 120 CB ILE A 48 6.133 8.862 0.672 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.736 8.924 1.291 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.067 9.847 1.359 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.666 8.338 2.684 1.00 0.00 C ATOM 0 H ILE A 48 4.783 10.731 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 48 7.073 9.305 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 48 6.528 7.856 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.409 9.963 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.038 8.391 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.106 9.628 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.067 9.758 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.699 10.862 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.646 8.416 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.962 7.290 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.339 8.886 3.343 1.00 0.00 H new ATOM 135 N PHE A 49 4.115 8.017 -1.728 1.00 0.00 N ATOM 136 CA PHE A 49 3.388 6.942 -2.393 1.00 0.00 C ATOM 137 C PHE A 49 2.962 7.359 -3.797 1.00 0.00 C ATOM 138 O PHE A 49 1.967 6.866 -4.328 1.00 0.00 O ATOM 139 CB PHE A 49 2.159 6.545 -1.572 1.00 0.00 C ATOM 140 CG PHE A 49 2.499 5.874 -0.271 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.081 4.617 -0.255 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.235 6.501 0.936 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.394 3.998 0.940 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.547 5.887 2.134 1.00 0.00 C ATOM 145 CZ PHE A 49 3.126 4.633 2.136 1.00 0.00 C ATOM 0 H PHE A 49 3.531 8.796 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 49 4.055 6.084 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.565 7.436 -1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.536 5.875 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.293 4.115 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.780 7.481 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.848 3.018 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.338 6.387 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.369 4.150 3.071 1.00 0.00 H new ATOM 155 N SER A 50 3.722 8.273 -4.392 1.00 0.00 N ATOM 156 CA SER A 50 3.421 8.762 -5.733 1.00 0.00 C ATOM 157 C SER A 50 3.354 7.608 -6.729 1.00 0.00 C ATOM 158 O SER A 50 4.223 6.738 -6.748 1.00 0.00 O ATOM 159 CB SER A 50 4.478 9.774 -6.179 1.00 0.00 C ATOM 160 OG SER A 50 3.933 10.712 -7.091 1.00 0.00 O ATOM 0 H SER A 50 4.550 8.690 -3.967 1.00 0.00 H new ATOM 0 HA SER A 50 2.448 9.252 -5.704 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.876 10.297 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.313 9.251 -6.646 1.00 0.00 H new ATOM 0 HG SER A 50 4.628 11.349 -7.360 1.00 0.00 H new ATOM 166 N GLY A 51 2.313 7.609 -7.557 1.00 0.00 N ATOM 167 CA GLY A 51 2.150 6.558 -8.545 1.00 0.00 C ATOM 168 C GLY A 51 2.314 5.173 -7.950 1.00 0.00 C ATOM 169 O GLY A 51 3.002 4.324 -8.517 1.00 0.00 O ATOM 0 H GLY A 51 1.580 8.318 -7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.163 6.640 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.880 6.696 -9.342 1.00 0.00 H new ATOM 173 N VAL A 52 1.681 4.944 -6.804 1.00 0.00 N ATOM 174 CA VAL A 52 1.759 3.653 -6.132 1.00 0.00 C ATOM 175 C VAL A 52 0.371 3.065 -5.907 1.00 0.00 C ATOM 176 O VAL A 52 -0.372 3.516 -5.036 1.00 0.00 O ATOM 177 CB VAL A 52 2.482 3.769 -4.776 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.367 2.467 -3.997 1.00 0.00 C ATOM 179 CG2 VAL A 52 3.940 4.151 -4.981 1.00 0.00 C ATOM 0 H VAL A 52 1.108 5.636 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 52 2.329 2.991 -6.784 1.00 0.00 H new ATOM 0 HB VAL A 52 2.003 4.556 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.883 2.567 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.316 2.241 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.820 1.658 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.435 4.229 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.435 3.388 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.996 5.111 -5.495 1.00 0.00 H new ATOM 189 N ALA A 53 0.027 2.054 -6.698 1.00 0.00 N ATOM 190 CA ALA A 53 -1.272 1.402 -6.584 1.00 0.00 C ATOM 191 C ALA A 53 -1.207 0.214 -5.631 1.00 0.00 C ATOM 192 O ALA A 53 -0.264 -0.577 -5.673 1.00 0.00 O ATOM 193 CB ALA A 53 -1.761 0.957 -7.954 1.00 0.00 C ATOM 0 H ALA A 53 0.630 1.669 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.979 2.124 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.732 0.472 -7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.855 1.825 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.047 0.255 -8.385 1.00 0.00 H new ATOM 199 N ILE A 54 -2.215 0.094 -4.773 1.00 0.00 N ATOM 200 CA ILE A 54 -2.271 -0.999 -3.810 1.00 0.00 C ATOM 201 C ILE A 54 -3.601 -1.740 -3.897 1.00 0.00 C ATOM 202 O ILE A 54 -4.601 -1.190 -4.360 1.00 0.00 O ATOM 203 CB ILE A 54 -2.073 -0.491 -2.370 1.00 0.00 C ATOM 204 CG1 ILE A 54 -3.257 0.380 -1.945 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.769 0.285 -2.257 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.516 0.363 -0.455 1.00 0.00 C ATOM 0 H ILE A 54 -3.003 0.740 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.460 -1.682 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.021 -1.350 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.074 1.407 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.153 0.040 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.643 0.638 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.065 -0.365 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.794 1.139 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.369 1.002 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.730 -0.657 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.636 0.731 0.072 1.00 0.00 H new ATOM 218 N TYR A 55 -3.606 -2.990 -3.448 1.00 0.00 N ATOM 219 CA TYR A 55 -4.814 -3.807 -3.475 1.00 0.00 C ATOM 220 C TYR A 55 -4.925 -4.657 -2.213 1.00 0.00 C ATOM 221 O TYR A 55 -4.143 -5.585 -2.004 1.00 0.00 O ATOM 222 CB TYR A 55 -4.817 -4.708 -4.711 1.00 0.00 C ATOM 223 CG TYR A 55 -5.706 -5.923 -4.572 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.084 -5.791 -4.460 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.167 -7.204 -4.553 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.900 -6.898 -4.332 1.00 0.00 C ATOM 227 CE2 TYR A 55 -5.975 -8.317 -4.427 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.341 -8.159 -4.317 1.00 0.00 C ATOM 229 OH TYR A 55 -8.150 -9.265 -4.190 1.00 0.00 O ATOM 0 H TYR A 55 -2.788 -3.460 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.674 -3.138 -3.518 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.143 -4.126 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.797 -5.035 -4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.525 -4.805 -4.473 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.098 -7.331 -4.638 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.970 -6.777 -4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.540 -9.305 -4.415 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.599 -10.076 -4.198 1.00 0.00 H new ATOM 239 N VAL A 56 -5.903 -4.332 -1.373 1.00 0.00 N ATOM 240 CA VAL A 56 -6.120 -5.066 -0.132 1.00 0.00 C ATOM 241 C VAL A 56 -6.833 -6.388 -0.392 1.00 0.00 C ATOM 242 O VAL A 56 -7.903 -6.419 -0.998 1.00 0.00 O ATOM 243 CB VAL A 56 -6.946 -4.238 0.872 1.00 0.00 C ATOM 244 CG1 VAL A 56 -6.951 -4.907 2.238 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.405 -2.820 0.965 1.00 0.00 C ATOM 0 H VAL A 56 -6.557 -3.565 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.137 -5.265 0.294 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.975 -4.187 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.539 -4.309 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.389 -5.901 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.928 -4.991 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.000 -2.250 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.367 -2.848 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.459 -2.345 -0.015 1.00 0.00 H new ATOM 255 N ASN A 57 -6.232 -7.479 0.071 1.00 0.00 N ATOM 256 CA ASN A 57 -6.809 -8.806 -0.111 1.00 0.00 C ATOM 257 C ASN A 57 -7.046 -9.486 1.234 1.00 0.00 C ATOM 258 O ASN A 57 -6.101 -9.878 1.918 1.00 0.00 O ATOM 259 CB ASN A 57 -5.891 -9.670 -0.977 1.00 0.00 C ATOM 260 CG ASN A 57 -6.408 -11.087 -1.134 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.573 -11.368 -0.853 1.00 0.00 O ATOM 262 ND2 ASN A 57 -5.542 -11.986 -1.584 1.00 0.00 N ATOM 0 H ASN A 57 -5.345 -7.470 0.575 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.769 -8.691 -0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.788 -9.213 -1.961 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.896 -9.696 -0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.833 -12.956 -1.710 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.586 -11.707 -1.804 1.00 0.00 H new ATOM 269 N GLY A 58 -8.315 -9.622 1.608 1.00 0.00 N ATOM 270 CA GLY A 58 -8.653 -10.255 2.869 1.00 0.00 C ATOM 271 C GLY A 58 -8.638 -9.280 4.029 1.00 0.00 C ATOM 272 O GLY A 58 -8.613 -8.065 3.829 1.00 0.00 O ATOM 0 H GLY A 58 -9.115 -9.305 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.642 -10.707 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.948 -11.062 3.067 1.00 0.00 H new ATOM 276 N TYR A 59 -8.654 -9.811 5.247 1.00 0.00 N ATOM 277 CA TYR A 59 -8.647 -8.979 6.444 1.00 0.00 C ATOM 278 C TYR A 59 -7.262 -8.385 6.686 1.00 0.00 C ATOM 279 O TYR A 59 -6.253 -9.089 6.633 1.00 0.00 O ATOM 280 CB TYR A 59 -9.083 -9.797 7.661 1.00 0.00 C ATOM 281 CG TYR A 59 -9.046 -9.019 8.957 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.838 -8.685 9.557 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.220 -8.618 9.584 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.799 -7.976 10.741 1.00 0.00 C ATOM 285 CE2 TYR A 59 -10.191 -7.907 10.767 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.979 -7.588 11.342 1.00 0.00 C ATOM 287 OH TYR A 59 -8.946 -6.881 12.522 1.00 0.00 O ATOM 0 H TYR A 59 -8.672 -10.814 5.431 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.352 -8.162 6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.096 -10.166 7.497 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.437 -10.670 7.752 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.913 -8.986 9.088 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.171 -8.867 9.138 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.851 -7.727 11.194 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.113 -7.602 11.240 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.347 -6.112 12.426 1.00 0.00 H new ATOM 297 N THR A 60 -7.222 -7.083 6.951 1.00 0.00 N ATOM 298 CA THR A 60 -5.964 -6.392 7.201 1.00 0.00 C ATOM 299 C THR A 60 -6.142 -5.278 8.225 1.00 0.00 C ATOM 300 O THR A 60 -7.263 -4.857 8.510 1.00 0.00 O ATOM 301 CB THR A 60 -5.384 -5.795 5.905 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.375 -4.996 5.248 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.909 -6.895 4.967 1.00 0.00 C ATOM 0 H THR A 60 -8.047 -6.486 6.998 1.00 0.00 H new ATOM 0 HA THR A 60 -5.269 -7.134 7.594 1.00 0.00 H new ATOM 0 HB THR A 60 -4.530 -5.171 6.169 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.936 -4.274 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.504 -6.449 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.135 -7.484 5.459 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.748 -7.542 4.710 1.00 0.00 H new ATOM 311 N ASP A 61 -5.030 -4.803 8.776 1.00 0.00 N ATOM 312 CA ASP A 61 -5.063 -3.735 9.768 1.00 0.00 C ATOM 313 C ASP A 61 -4.034 -2.658 9.442 1.00 0.00 C ATOM 314 O ASP A 61 -2.832 -2.916 9.362 1.00 0.00 O ATOM 315 CB ASP A 61 -4.804 -4.300 11.166 1.00 0.00 C ATOM 316 CG ASP A 61 -5.872 -5.283 11.600 1.00 0.00 C ATOM 317 OD1 ASP A 61 -7.049 -5.082 11.233 1.00 0.00 O ATOM 318 OD2 ASP A 61 -5.532 -6.255 12.307 1.00 0.00 O ATOM 0 H ASP A 61 -4.094 -5.141 8.552 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.054 -3.283 9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.832 -4.794 11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.756 -3.480 11.883 1.00 0.00 H new ATOM 323 N PRO A 62 -4.513 -1.420 9.248 1.00 0.00 N ATOM 324 CA PRO A 62 -5.940 -1.100 9.341 1.00 0.00 C ATOM 325 C PRO A 62 -6.744 -1.697 8.190 1.00 0.00 C ATOM 326 O PRO A 62 -6.196 -2.387 7.331 1.00 0.00 O ATOM 327 CB PRO A 62 -5.966 0.429 9.275 1.00 0.00 C ATOM 328 CG PRO A 62 -4.721 0.798 8.545 1.00 0.00 C ATOM 329 CD PRO A 62 -3.697 -0.237 8.924 1.00 0.00 C ATOM 0 HA PRO A 62 -6.391 -1.509 10.245 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.853 0.788 8.752 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.985 0.868 10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.888 0.806 7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.387 1.798 8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.006 -0.437 8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.098 0.084 9.776 1.00 0.00 H new ATOM 337 N SER A 63 -8.045 -1.426 8.180 1.00 0.00 N ATOM 338 CA SER A 63 -8.924 -1.939 7.137 1.00 0.00 C ATOM 339 C SER A 63 -8.581 -1.321 5.784 1.00 0.00 C ATOM 340 O SER A 63 -7.763 -0.406 5.698 1.00 0.00 O ATOM 341 CB SER A 63 -10.386 -1.652 7.485 1.00 0.00 C ATOM 342 OG SER A 63 -10.748 -2.264 8.711 1.00 0.00 O ATOM 0 H SER A 63 -8.513 -0.854 8.883 1.00 0.00 H new ATOM 0 HA SER A 63 -8.778 -3.017 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.543 -0.575 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.032 -2.019 6.687 1.00 0.00 H new ATOM 0 HG SER A 63 -11.686 -2.064 8.912 1.00 0.00 H new ATOM 348 N ALA A 64 -9.213 -1.829 4.731 1.00 0.00 N ATOM 349 CA ALA A 64 -8.977 -1.327 3.384 1.00 0.00 C ATOM 350 C ALA A 64 -9.482 0.104 3.235 1.00 0.00 C ATOM 351 O ALA A 64 -8.851 0.929 2.574 1.00 0.00 O ATOM 352 CB ALA A 64 -9.644 -2.233 2.359 1.00 0.00 C ATOM 0 H ALA A 64 -9.892 -2.588 4.785 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.902 -1.325 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.460 -1.846 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.233 -3.239 2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.718 -2.263 2.544 1.00 0.00 H new ATOM 358 N GLU A 65 -10.624 0.392 3.852 1.00 0.00 N ATOM 359 CA GLU A 65 -11.213 1.724 3.786 1.00 0.00 C ATOM 360 C GLU A 65 -10.249 2.773 4.335 1.00 0.00 C ATOM 361 O GLU A 65 -10.045 3.821 3.724 1.00 0.00 O ATOM 362 CB GLU A 65 -12.527 1.764 4.569 1.00 0.00 C ATOM 363 CG GLU A 65 -13.114 3.159 4.702 1.00 0.00 C ATOM 364 CD GLU A 65 -13.676 3.683 3.395 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.219 2.872 2.616 1.00 0.00 O ATOM 366 OE2 GLU A 65 -13.574 4.903 3.151 1.00 0.00 O ATOM 0 H GLU A 65 -11.159 -0.279 4.403 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.415 1.953 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.254 1.119 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.360 1.353 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.903 3.147 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.343 3.841 5.061 1.00 0.00 H new ATOM 373 N GLU A 66 -9.662 2.481 5.491 1.00 0.00 N ATOM 374 CA GLU A 66 -8.722 3.399 6.122 1.00 0.00 C ATOM 375 C GLU A 66 -7.527 3.666 5.211 1.00 0.00 C ATOM 376 O GLU A 66 -7.115 4.812 5.028 1.00 0.00 O ATOM 377 CB GLU A 66 -8.241 2.833 7.460 1.00 0.00 C ATOM 378 CG GLU A 66 -9.322 2.790 8.527 1.00 0.00 C ATOM 379 CD GLU A 66 -9.665 4.166 9.064 1.00 0.00 C ATOM 380 OE1 GLU A 66 -10.513 4.848 8.450 1.00 0.00 O ATOM 381 OE2 GLU A 66 -9.086 4.562 10.098 1.00 0.00 O ATOM 0 H GLU A 66 -9.821 1.617 6.009 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.239 4.342 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.858 1.825 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.409 3.437 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.220 2.332 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.991 2.155 9.349 1.00 0.00 H new ATOM 388 N LEU A 67 -6.974 2.600 4.644 1.00 0.00 N ATOM 389 CA LEU A 67 -5.826 2.717 3.752 1.00 0.00 C ATOM 390 C LEU A 67 -6.204 3.453 2.470 1.00 0.00 C ATOM 391 O LEU A 67 -5.445 4.284 1.972 1.00 0.00 O ATOM 392 CB LEU A 67 -5.274 1.331 3.414 1.00 0.00 C ATOM 393 CG LEU A 67 -4.819 0.482 4.601 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.995 -0.998 4.297 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.371 0.788 4.953 1.00 0.00 C ATOM 0 H LEU A 67 -7.302 1.645 4.786 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.056 3.293 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.041 0.779 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.429 1.454 2.736 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.441 0.732 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.666 -1.587 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.046 -1.206 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.399 -1.263 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.065 0.174 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.734 0.568 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.275 1.842 5.215 1.00 0.00 H new ATOM 407 N ARG A 68 -7.384 3.142 1.942 1.00 0.00 N ATOM 408 CA ARG A 68 -7.864 3.774 0.719 1.00 0.00 C ATOM 409 C ARG A 68 -7.613 5.279 0.750 1.00 0.00 C ATOM 410 O ARG A 68 -7.143 5.861 -0.227 1.00 0.00 O ATOM 411 CB ARG A 68 -9.356 3.498 0.529 1.00 0.00 C ATOM 412 CG ARG A 68 -9.953 4.186 -0.688 1.00 0.00 C ATOM 413 CD ARG A 68 -11.289 3.573 -1.075 1.00 0.00 C ATOM 414 NE ARG A 68 -11.871 4.223 -2.247 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.804 3.664 -3.010 1.00 0.00 C ATOM 416 NH1 ARG A 68 -13.259 2.452 -2.725 1.00 0.00 N ATOM 417 NH2 ARG A 68 -13.284 4.319 -4.059 1.00 0.00 N ATOM 0 H ARG A 68 -8.025 2.456 2.342 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.314 3.349 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.509 2.423 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.893 3.823 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.086 5.247 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.260 4.110 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.155 2.511 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.980 3.652 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.543 5.157 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.893 1.946 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.975 2.025 -3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.937 5.252 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.000 3.889 -4.644 1.00 0.00 H new ATOM 431 N LYS A 69 -7.931 5.903 1.879 1.00 0.00 N ATOM 432 CA LYS A 69 -7.741 7.340 2.040 1.00 0.00 C ATOM 433 C LYS A 69 -6.263 7.676 2.213 1.00 0.00 C ATOM 434 O LYS A 69 -5.728 8.543 1.520 1.00 0.00 O ATOM 435 CB LYS A 69 -8.536 7.849 3.244 1.00 0.00 C ATOM 436 CG LYS A 69 -10.018 8.024 2.964 1.00 0.00 C ATOM 437 CD LYS A 69 -10.797 6.756 3.269 1.00 0.00 C ATOM 438 CE LYS A 69 -11.134 6.650 4.749 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.347 7.440 5.099 1.00 0.00 N ATOM 0 H LYS A 69 -8.322 5.436 2.697 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.105 7.833 1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.411 7.152 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.120 8.804 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.408 8.845 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.162 8.298 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.716 6.743 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.213 5.887 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.293 5.604 5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.288 7.002 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.544 7.342 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.186 8.442 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.160 7.088 4.554 1.00 0.00 H new ATOM 453 N LEU A 70 -5.609 6.986 3.140 1.00 0.00 N ATOM 454 CA LEU A 70 -4.192 7.211 3.403 1.00 0.00 C ATOM 455 C LEU A 70 -3.392 7.225 2.104 1.00 0.00 C ATOM 456 O LEU A 70 -2.348 7.871 2.014 1.00 0.00 O ATOM 457 CB LEU A 70 -3.648 6.128 4.338 1.00 0.00 C ATOM 458 CG LEU A 70 -4.301 6.044 5.718 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.940 4.733 6.399 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.883 7.227 6.579 1.00 0.00 C ATOM 0 H LEU A 70 -6.037 6.266 3.722 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.087 8.184 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.759 5.162 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.580 6.296 4.473 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.383 6.078 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.413 4.690 7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.290 3.899 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.858 4.669 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.357 7.151 7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.800 7.224 6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.192 8.155 6.097 1.00 0.00 H new ATOM 472 N MET A 71 -3.891 6.511 1.101 1.00 0.00 N ATOM 473 CA MET A 71 -3.224 6.445 -0.195 1.00 0.00 C ATOM 474 C MET A 71 -3.502 7.701 -1.014 1.00 0.00 C ATOM 475 O MET A 71 -2.580 8.420 -1.397 1.00 0.00 O ATOM 476 CB MET A 71 -3.684 5.207 -0.966 1.00 0.00 C ATOM 477 CG MET A 71 -3.310 3.897 -0.292 1.00 0.00 C ATOM 478 SD MET A 71 -1.579 3.457 -0.541 1.00 0.00 S ATOM 479 CE MET A 71 -0.796 4.416 0.754 1.00 0.00 C ATOM 0 H MET A 71 -4.754 5.970 1.160 1.00 0.00 H new ATOM 0 HA MET A 71 -2.150 6.377 -0.020 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.766 5.247 -1.089 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.249 5.229 -1.965 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.512 3.972 0.777 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.943 3.099 -0.681 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.104 3.903 1.093 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.530 5.400 0.368 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.486 4.529 1.591 1.00 0.00 H new ATOM 489 N MET A 72 -4.779 7.959 -1.279 1.00 0.00 N ATOM 490 CA MET A 72 -5.178 9.129 -2.052 1.00 0.00 C ATOM 491 C MET A 72 -4.639 10.408 -1.419 1.00 0.00 C ATOM 492 O MET A 72 -4.370 11.390 -2.112 1.00 0.00 O ATOM 493 CB MET A 72 -6.702 9.202 -2.158 1.00 0.00 C ATOM 494 CG MET A 72 -7.367 9.829 -0.943 1.00 0.00 C ATOM 495 SD MET A 72 -9.111 10.195 -1.217 1.00 0.00 S ATOM 496 CE MET A 72 -9.041 11.957 -1.534 1.00 0.00 C ATOM 0 H MET A 72 -5.555 7.373 -0.970 1.00 0.00 H new ATOM 0 HA MET A 72 -4.756 9.033 -3.052 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.969 9.777 -3.045 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.097 8.196 -2.299 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.271 9.154 -0.092 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.844 10.749 -0.681 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.047 12.333 -1.722 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.620 12.466 -0.667 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.414 12.145 -2.406 1.00 0.00 H new ATOM 506 N LEU A 73 -4.484 10.390 -0.100 1.00 0.00 N ATOM 507 CA LEU A 73 -3.977 11.549 0.627 1.00 0.00 C ATOM 508 C LEU A 73 -2.489 11.750 0.362 1.00 0.00 C ATOM 509 O LEU A 73 -2.010 12.881 0.273 1.00 0.00 O ATOM 510 CB LEU A 73 -4.222 11.382 2.127 1.00 0.00 C ATOM 511 CG LEU A 73 -5.617 11.764 2.626 1.00 0.00 C ATOM 512 CD1 LEU A 73 -5.949 11.014 3.907 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.711 13.267 2.846 1.00 0.00 C ATOM 0 H LEU A 73 -4.702 9.586 0.488 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.512 12.431 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.036 10.341 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.489 11.984 2.664 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.345 11.482 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.945 11.298 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.923 9.941 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.218 11.265 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.710 13.521 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.974 13.573 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.517 13.785 1.907 1.00 0.00 H new ATOM 525 N HIS A 74 -1.761 10.644 0.236 1.00 0.00 N ATOM 526 CA HIS A 74 -0.326 10.698 -0.021 1.00 0.00 C ATOM 527 C HIS A 74 -0.036 10.551 -1.512 1.00 0.00 C ATOM 528 O HIS A 74 1.044 10.110 -1.903 1.00 0.00 O ATOM 529 CB HIS A 74 0.395 9.601 0.762 1.00 0.00 C ATOM 530 CG HIS A 74 0.603 9.934 2.207 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.735 10.565 2.679 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.185 9.723 3.287 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.635 10.725 3.986 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.478 10.223 4.380 1.00 0.00 N ATOM 0 H HIS A 74 -2.141 9.700 0.308 1.00 0.00 H new ATOM 0 HA HIS A 74 0.042 11.670 0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.179 8.677 0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.363 9.412 0.298 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.526 10.862 2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.155 9.249 3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.373 11.187 4.624 1.00 0.00 H new ATOM 542 N GLY A 75 -1.008 10.922 -2.339 1.00 0.00 N ATOM 543 CA GLY A 75 -0.838 10.823 -3.777 1.00 0.00 C ATOM 544 C GLY A 75 -0.648 9.392 -4.240 1.00 0.00 C ATOM 545 O GLY A 75 0.255 9.101 -5.024 1.00 0.00 O ATOM 0 H GLY A 75 -1.911 11.290 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.710 11.250 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.024 11.417 -4.080 1.00 0.00 H new ATOM 549 N GLY A 76 -1.500 8.496 -3.753 1.00 0.00 N ATOM 550 CA GLY A 76 -1.404 7.098 -4.132 1.00 0.00 C ATOM 551 C GLY A 76 -2.563 6.652 -5.001 1.00 0.00 C ATOM 552 O GLY A 76 -3.331 7.477 -5.493 1.00 0.00 O ATOM 0 H GLY A 76 -2.255 8.713 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.469 6.933 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.370 6.483 -3.233 1.00 0.00 H new ATOM 556 N GLN A 77 -2.687 5.342 -5.192 1.00 0.00 N ATOM 557 CA GLN A 77 -3.760 4.789 -6.009 1.00 0.00 C ATOM 558 C GLN A 77 -4.345 3.536 -5.365 1.00 0.00 C ATOM 559 O GLN A 77 -3.627 2.752 -4.743 1.00 0.00 O ATOM 560 CB GLN A 77 -3.244 4.461 -7.412 1.00 0.00 C ATOM 561 CG GLN A 77 -3.295 5.640 -8.369 1.00 0.00 C ATOM 562 CD GLN A 77 -4.642 5.781 -9.050 1.00 0.00 C ATOM 563 OE1 GLN A 77 -5.676 5.888 -8.390 1.00 0.00 O ATOM 564 NE2 GLN A 77 -4.637 5.782 -10.378 1.00 0.00 N ATOM 0 H GLN A 77 -2.058 4.645 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.548 5.539 -6.084 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.216 4.107 -7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.834 3.643 -7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.071 6.556 -7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.520 5.522 -9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.756 5.691 -10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.514 5.874 -10.891 1.00 0.00 H new ATOM 573 N TYR A 78 -5.652 3.355 -5.516 1.00 0.00 N ATOM 574 CA TYR A 78 -6.334 2.199 -4.946 1.00 0.00 C ATOM 575 C TYR A 78 -7.079 1.419 -6.025 1.00 0.00 C ATOM 576 O TYR A 78 -7.754 2.002 -6.875 1.00 0.00 O ATOM 577 CB TYR A 78 -7.311 2.643 -3.856 1.00 0.00 C ATOM 578 CG TYR A 78 -7.904 1.495 -3.070 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.063 0.860 -3.499 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.305 1.047 -1.900 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.609 -0.189 -2.783 1.00 0.00 C ATOM 582 CE2 TYR A 78 -7.843 -0.002 -1.179 1.00 0.00 C ATOM 583 CZ TYR A 78 -8.995 -0.616 -1.624 1.00 0.00 C ATOM 584 OH TYR A 78 -9.535 -1.661 -0.909 1.00 0.00 O ATOM 0 H TYR A 78 -6.260 3.994 -6.028 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.581 1.546 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.796 3.314 -3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.118 3.214 -4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.545 1.191 -4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.404 1.526 -1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.511 -0.671 -3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.364 -0.339 -0.272 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.365 -1.368 -0.478 1.00 0.00 H new ATOM 594 N HIS A 79 -6.953 0.096 -5.984 1.00 0.00 N ATOM 595 CA HIS A 79 -7.615 -0.765 -6.957 1.00 0.00 C ATOM 596 C HIS A 79 -8.430 -1.849 -6.258 1.00 0.00 C ATOM 597 O HIS A 79 -7.878 -2.716 -5.580 1.00 0.00 O ATOM 598 CB HIS A 79 -6.584 -1.407 -7.887 1.00 0.00 C ATOM 599 CG HIS A 79 -5.757 -0.412 -8.641 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.443 -0.637 -8.992 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.066 0.818 -9.115 1.00 0.00 C ATOM 602 CE1 HIS A 79 -3.978 0.412 -9.647 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.943 1.309 -9.735 1.00 0.00 N ATOM 0 H HIS A 79 -6.399 -0.402 -5.288 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.293 -0.149 -7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.924 -2.045 -7.299 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.100 -2.052 -8.598 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.018 1.320 -9.023 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.979 0.518 -10.043 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.867 2.219 -10.190 1.00 0.00 H new ATOM 611 N VAL A 80 -9.748 -1.793 -6.425 1.00 0.00 N ATOM 612 CA VAL A 80 -10.639 -2.769 -5.811 1.00 0.00 C ATOM 613 C VAL A 80 -10.176 -4.193 -6.098 1.00 0.00 C ATOM 614 O VAL A 80 -10.105 -5.028 -5.195 1.00 0.00 O ATOM 615 CB VAL A 80 -12.086 -2.601 -6.310 1.00 0.00 C ATOM 616 CG1 VAL A 80 -12.996 -3.637 -5.669 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.586 -1.192 -6.028 1.00 0.00 C ATOM 0 H VAL A 80 -10.222 -1.081 -6.981 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.611 -2.590 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.101 -2.758 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.014 -3.502 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -12.647 -4.637 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.980 -3.515 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.610 -1.091 -6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.558 -1.004 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.949 -0.471 -6.540 1.00 0.00 H new ATOM 627 N TYR A 81 -9.862 -4.464 -7.359 1.00 0.00 N ATOM 628 CA TYR A 81 -9.407 -5.788 -7.767 1.00 0.00 C ATOM 629 C TYR A 81 -7.899 -5.800 -7.996 1.00 0.00 C ATOM 630 O TYR A 81 -7.257 -4.750 -8.032 1.00 0.00 O ATOM 631 CB TYR A 81 -10.131 -6.230 -9.040 1.00 0.00 C ATOM 632 CG TYR A 81 -11.634 -6.086 -8.963 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.242 -4.846 -9.115 1.00 0.00 C ATOM 634 CD2 TYR A 81 -12.447 -7.191 -8.739 1.00 0.00 C ATOM 635 CE1 TYR A 81 -13.615 -4.710 -9.044 1.00 0.00 C ATOM 636 CE2 TYR A 81 -13.820 -7.065 -8.669 1.00 0.00 C ATOM 637 CZ TYR A 81 -14.400 -5.823 -8.821 1.00 0.00 C ATOM 638 OH TYR A 81 -15.768 -5.692 -8.752 1.00 0.00 O ATOM 0 H TYR A 81 -9.914 -3.784 -8.118 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.640 -6.487 -6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.761 -5.643 -9.881 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -9.884 -7.272 -9.245 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.631 -3.973 -9.292 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.997 -8.165 -8.618 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.071 -3.738 -9.162 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.437 -7.935 -8.496 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.173 -6.570 -8.591 1.00 0.00 H new ATOM 648 N TYR A 82 -7.340 -6.995 -8.149 1.00 0.00 N ATOM 649 CA TYR A 82 -5.907 -7.146 -8.373 1.00 0.00 C ATOM 650 C TYR A 82 -5.564 -6.965 -9.849 1.00 0.00 C ATOM 651 O TYR A 82 -6.280 -7.447 -10.727 1.00 0.00 O ATOM 652 CB TYR A 82 -5.436 -8.519 -7.892 1.00 0.00 C ATOM 653 CG TYR A 82 -4.059 -8.895 -8.390 1.00 0.00 C ATOM 654 CD1 TYR A 82 -2.957 -8.096 -8.112 1.00 0.00 C ATOM 655 CD2 TYR A 82 -3.860 -10.049 -9.138 1.00 0.00 C ATOM 656 CE1 TYR A 82 -1.696 -8.435 -8.565 1.00 0.00 C ATOM 657 CE2 TYR A 82 -2.603 -10.397 -9.593 1.00 0.00 C ATOM 658 CZ TYR A 82 -1.524 -9.586 -9.305 1.00 0.00 C ATOM 659 OH TYR A 82 -0.271 -9.929 -9.758 1.00 0.00 O ATOM 0 H TYR A 82 -7.857 -7.874 -8.122 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.392 -6.373 -7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.435 -8.532 -6.802 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.150 -9.274 -8.219 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.088 -7.194 -7.532 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.702 -10.685 -9.368 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.850 -7.802 -8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.465 -11.299 -10.171 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.324 -10.768 -10.262 1.00 0.00 H new ATOM 669 N SER A 83 -4.464 -6.269 -10.113 1.00 0.00 N ATOM 670 CA SER A 83 -4.026 -6.021 -11.481 1.00 0.00 C ATOM 671 C SER A 83 -2.515 -6.190 -11.607 1.00 0.00 C ATOM 672 O SER A 83 -1.762 -5.844 -10.697 1.00 0.00 O ATOM 673 CB SER A 83 -4.431 -4.614 -11.923 1.00 0.00 C ATOM 674 OG SER A 83 -5.768 -4.592 -12.392 1.00 0.00 O ATOM 0 H SER A 83 -3.859 -5.866 -9.397 1.00 0.00 H new ATOM 0 HA SER A 83 -4.512 -6.751 -12.129 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.324 -3.922 -11.088 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.760 -4.270 -12.710 1.00 0.00 H new ATOM 0 HG SER A 83 -6.003 -3.681 -12.667 1.00 0.00 H new ATOM 680 N ARG A 84 -2.078 -6.726 -12.743 1.00 0.00 N ATOM 681 CA ARG A 84 -0.658 -6.943 -12.988 1.00 0.00 C ATOM 682 C ARG A 84 -0.034 -5.732 -13.676 1.00 0.00 C ATOM 683 O ARG A 84 1.186 -5.564 -13.673 1.00 0.00 O ATOM 684 CB ARG A 84 -0.452 -8.193 -13.847 1.00 0.00 C ATOM 685 CG ARG A 84 -0.943 -9.471 -13.189 1.00 0.00 C ATOM 686 CD ARG A 84 -0.887 -10.649 -14.149 1.00 0.00 C ATOM 687 NE ARG A 84 -1.697 -10.422 -15.342 1.00 0.00 N ATOM 688 CZ ARG A 84 -3.016 -10.578 -15.376 1.00 0.00 C ATOM 689 NH1 ARG A 84 -3.670 -10.960 -14.288 1.00 0.00 N ATOM 690 NH2 ARG A 84 -3.683 -10.352 -16.500 1.00 0.00 N ATOM 0 H ARG A 84 -2.687 -7.017 -13.507 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.167 -7.086 -12.026 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.971 -8.061 -14.796 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.609 -8.296 -14.075 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.334 -9.687 -12.311 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.967 -9.332 -12.841 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.147 -10.829 -14.442 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.235 -11.548 -13.640 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.224 -10.127 -16.197 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.161 -11.135 -13.422 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.683 -11.079 -14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.183 -10.058 -17.339 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.696 -10.472 -16.525 1.00 0.00 H new ATOM 704 N SER A 85 -0.879 -4.892 -14.264 1.00 0.00 N ATOM 705 CA SER A 85 -0.410 -3.698 -14.960 1.00 0.00 C ATOM 706 C SER A 85 -0.646 -2.450 -14.115 1.00 0.00 C ATOM 707 O SER A 85 0.263 -1.647 -13.905 1.00 0.00 O ATOM 708 CB SER A 85 -1.118 -3.557 -16.308 1.00 0.00 C ATOM 709 OG SER A 85 -0.426 -2.657 -17.156 1.00 0.00 O ATOM 0 H SER A 85 -1.891 -5.015 -14.273 1.00 0.00 H new ATOM 0 HA SER A 85 0.661 -3.803 -15.130 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.189 -4.533 -16.789 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.137 -3.204 -16.152 1.00 0.00 H new ATOM 0 HG SER A 85 -0.898 -2.586 -18.012 1.00 0.00 H new ATOM 715 N LYS A 86 -1.874 -2.292 -13.634 1.00 0.00 N ATOM 716 CA LYS A 86 -2.233 -1.143 -12.811 1.00 0.00 C ATOM 717 C LYS A 86 -1.595 -1.244 -11.429 1.00 0.00 C ATOM 718 O LYS A 86 -0.672 -0.496 -11.104 1.00 0.00 O ATOM 719 CB LYS A 86 -3.754 -1.041 -12.677 1.00 0.00 C ATOM 720 CG LYS A 86 -4.452 -0.637 -13.963 1.00 0.00 C ATOM 721 CD LYS A 86 -4.512 0.873 -14.115 1.00 0.00 C ATOM 722 CE LYS A 86 -4.974 1.276 -15.507 1.00 0.00 C ATOM 723 NZ LYS A 86 -6.315 0.715 -15.830 1.00 0.00 N ATOM 0 H LYS A 86 -2.639 -2.946 -13.800 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.857 -0.245 -13.301 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.147 -2.003 -12.347 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.994 -0.315 -11.900 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.926 -1.068 -14.814 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.463 -1.045 -13.973 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.192 1.288 -13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.528 1.299 -13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.008 2.363 -15.578 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.249 0.931 -16.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.661 1.132 -16.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.243 -0.317 -15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.979 0.937 -15.061 1.00 0.00 H new ATOM 737 N THR A 87 -2.092 -2.173 -10.619 1.00 0.00 N ATOM 738 CA THR A 87 -1.571 -2.371 -9.272 1.00 0.00 C ATOM 739 C THR A 87 -0.103 -2.779 -9.306 1.00 0.00 C ATOM 740 O THR A 87 0.306 -3.602 -10.126 1.00 0.00 O ATOM 741 CB THR A 87 -2.373 -3.444 -8.512 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.771 -3.140 -8.565 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.922 -3.530 -7.062 1.00 0.00 C ATOM 0 H THR A 87 -2.855 -2.801 -10.872 1.00 0.00 H new ATOM 0 HA THR A 87 -1.669 -1.418 -8.751 1.00 0.00 H new ATOM 0 HB THR A 87 -2.193 -4.407 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.909 -2.195 -8.344 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.502 -4.294 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.864 -3.791 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.076 -2.567 -6.575 1.00 0.00 H new ATOM 751 N THR A 88 0.688 -2.199 -8.408 1.00 0.00 N ATOM 752 CA THR A 88 2.112 -2.502 -8.335 1.00 0.00 C ATOM 753 C THR A 88 2.414 -3.450 -7.180 1.00 0.00 C ATOM 754 O THR A 88 3.213 -4.377 -7.318 1.00 0.00 O ATOM 755 CB THR A 88 2.951 -1.221 -8.166 1.00 0.00 C ATOM 756 OG1 THR A 88 2.413 -0.420 -7.108 1.00 0.00 O ATOM 757 CG2 THR A 88 2.976 -0.416 -9.456 1.00 0.00 C ATOM 0 H THR A 88 0.366 -1.517 -7.721 1.00 0.00 H new ATOM 0 HA THR A 88 2.381 -2.982 -9.276 1.00 0.00 H new ATOM 0 HB THR A 88 3.972 -1.512 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.844 -0.663 -6.262 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.574 0.484 -9.312 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.413 -1.019 -10.252 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.959 -0.135 -9.729 1.00 0.00 H new ATOM 765 N HIS A 89 1.770 -3.213 -6.042 1.00 0.00 N ATOM 766 CA HIS A 89 1.970 -4.047 -4.862 1.00 0.00 C ATOM 767 C HIS A 89 0.644 -4.622 -4.373 1.00 0.00 C ATOM 768 O HIS A 89 -0.427 -4.141 -4.745 1.00 0.00 O ATOM 769 CB HIS A 89 2.632 -3.240 -3.746 1.00 0.00 C ATOM 770 CG HIS A 89 3.874 -2.524 -4.180 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.852 -1.380 -4.951 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.179 -2.794 -3.947 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.091 -0.979 -5.174 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.915 -1.819 -4.575 1.00 0.00 N ATOM 0 H HIS A 89 1.105 -2.450 -5.912 1.00 0.00 H new ATOM 0 HA HIS A 89 2.625 -4.873 -5.139 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.918 -2.511 -3.363 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.878 -3.909 -2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.569 -3.622 -3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.381 -0.112 -5.749 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.933 -1.754 -4.578 1.00 0.00 H new ATOM 782 N ILE A 90 0.723 -5.652 -3.538 1.00 0.00 N ATOM 783 CA ILE A 90 -0.471 -6.291 -2.998 1.00 0.00 C ATOM 784 C ILE A 90 -0.469 -6.261 -1.474 1.00 0.00 C ATOM 785 O ILE A 90 0.376 -6.885 -0.831 1.00 0.00 O ATOM 786 CB ILE A 90 -0.590 -7.752 -3.471 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.626 -7.815 -4.999 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.834 -8.400 -2.880 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.622 -9.225 -5.546 1.00 0.00 C ATOM 0 H ILE A 90 1.601 -6.062 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.326 -5.726 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 90 0.284 -8.303 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.517 -7.298 -5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.234 -7.277 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.905 -9.432 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.771 -8.383 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.718 -7.850 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.649 -9.193 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.282 -9.739 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.497 -9.761 -5.177 1.00 0.00 H new ATOM 801 N ILE A 91 -1.421 -5.532 -0.901 1.00 0.00 N ATOM 802 CA ILE A 91 -1.531 -5.423 0.549 1.00 0.00 C ATOM 803 C ILE A 91 -2.360 -6.566 1.125 1.00 0.00 C ATOM 804 O ILE A 91 -3.555 -6.678 0.854 1.00 0.00 O ATOM 805 CB ILE A 91 -2.166 -4.083 0.966 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.282 -2.916 0.522 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.384 -4.047 2.471 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.172 -3.078 0.907 1.00 0.00 C ATOM 0 H ILE A 91 -2.127 -5.008 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.518 -5.476 0.947 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.135 -3.988 0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.353 -2.808 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.665 -1.994 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.833 -3.094 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.048 -4.861 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.427 -4.160 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.739 -2.214 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.255 -3.155 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.572 -3.982 0.447 1.00 0.00 H new ATOM 820 N ALA A 92 -1.717 -7.412 1.923 1.00 0.00 N ATOM 821 CA ALA A 92 -2.395 -8.545 2.541 1.00 0.00 C ATOM 822 C ALA A 92 -1.598 -9.083 3.724 1.00 0.00 C ATOM 823 O ALA A 92 -0.402 -9.356 3.609 1.00 0.00 O ATOM 824 CB ALA A 92 -2.628 -9.644 1.515 1.00 0.00 C ATOM 0 H ALA A 92 -0.727 -7.334 2.157 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.360 -8.201 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.135 -10.484 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.246 -9.259 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.670 -9.977 1.115 1.00 0.00 H new ATOM 830 N THR A 93 -2.267 -9.234 4.863 1.00 0.00 N ATOM 831 CA THR A 93 -1.620 -9.738 6.068 1.00 0.00 C ATOM 832 C THR A 93 -1.134 -11.170 5.874 1.00 0.00 C ATOM 833 O THR A 93 0.051 -11.460 6.032 1.00 0.00 O ATOM 834 CB THR A 93 -2.572 -9.690 7.278 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.427 -8.546 7.184 1.00 0.00 O ATOM 836 CG2 THR A 93 -1.788 -9.638 8.581 1.00 0.00 C ATOM 0 H THR A 93 -3.257 -9.014 4.976 1.00 0.00 H new ATOM 0 HA THR A 93 -0.765 -9.091 6.262 1.00 0.00 H new ATOM 0 HB THR A 93 -3.177 -10.596 7.272 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.347 -8.838 7.013 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.481 -9.605 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.160 -10.525 8.663 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.160 -8.747 8.593 1.00 0.00 H new ATOM 844 N ASN A 94 -2.058 -12.061 5.530 1.00 0.00 N ATOM 845 CA ASN A 94 -1.723 -13.464 5.313 1.00 0.00 C ATOM 846 C ASN A 94 -2.639 -14.087 4.264 1.00 0.00 C ATOM 847 O ASN A 94 -3.839 -13.810 4.229 1.00 0.00 O ATOM 848 CB ASN A 94 -1.828 -14.243 6.626 1.00 0.00 C ATOM 849 CG ASN A 94 -0.537 -14.214 7.421 1.00 0.00 C ATOM 850 OD1 ASN A 94 -0.199 -13.205 8.039 1.00 0.00 O ATOM 851 ND2 ASN A 94 0.190 -15.325 7.408 1.00 0.00 N ATOM 0 H ASN A 94 -3.044 -11.837 5.396 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.697 -13.515 4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.633 -13.824 7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.096 -15.277 6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 94 1.068 -15.366 7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.130 -16.138 6.881 1.00 0.00 H new ATOM 858 N LEU A 95 -2.066 -14.928 3.411 1.00 0.00 N ATOM 859 CA LEU A 95 -2.830 -15.592 2.360 1.00 0.00 C ATOM 860 C LEU A 95 -2.766 -17.108 2.515 1.00 0.00 C ATOM 861 O LEU A 95 -1.763 -17.670 2.955 1.00 0.00 O ATOM 862 CB LEU A 95 -2.301 -15.185 0.984 1.00 0.00 C ATOM 863 CG LEU A 95 -2.229 -13.682 0.710 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.111 -13.372 -0.273 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.562 -13.172 0.182 1.00 0.00 C ATOM 0 H LEU A 95 -1.074 -15.167 3.426 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.871 -15.281 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.302 -15.604 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.934 -15.643 0.224 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.013 -13.171 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.075 -12.298 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.159 -13.702 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.297 -13.894 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.493 -12.101 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.808 -13.689 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.342 -13.360 0.920 1.00 0.00 H new ATOM 877 N PRO A 96 -3.860 -17.788 2.142 1.00 0.00 N ATOM 878 CA PRO A 96 -3.952 -19.248 2.227 1.00 0.00 C ATOM 879 C PRO A 96 -3.053 -19.946 1.212 1.00 0.00 C ATOM 880 O PRO A 96 -2.641 -19.347 0.219 1.00 0.00 O ATOM 881 CB PRO A 96 -5.425 -19.530 1.920 1.00 0.00 C ATOM 882 CG PRO A 96 -5.870 -18.366 1.103 1.00 0.00 C ATOM 883 CD PRO A 96 -5.092 -17.183 1.608 1.00 0.00 C ATOM 0 HA PRO A 96 -3.626 -19.620 3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.544 -20.466 1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.010 -19.619 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.677 -18.536 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.942 -18.202 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.877 -16.473 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.640 -16.641 2.378 1.00 0.00 H new ATOM 891 N ASN A 97 -2.753 -21.215 1.467 1.00 0.00 N ATOM 892 CA ASN A 97 -1.902 -21.994 0.575 1.00 0.00 C ATOM 893 C ASN A 97 -2.258 -21.729 -0.885 1.00 0.00 C ATOM 894 O ASN A 97 -1.438 -21.229 -1.653 1.00 0.00 O ATOM 895 CB ASN A 97 -2.038 -23.487 0.881 1.00 0.00 C ATOM 896 CG ASN A 97 -1.335 -23.880 2.166 1.00 0.00 C ATOM 897 OD1 ASN A 97 -0.784 -23.033 2.869 1.00 0.00 O ATOM 898 ND2 ASN A 97 -1.351 -25.170 2.479 1.00 0.00 N ATOM 0 H ASN A 97 -3.087 -21.726 2.284 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.869 -21.688 0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.094 -23.745 0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.625 -24.064 0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.894 -25.494 3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.820 -25.838 1.867 1.00 0.00 H new ATOM 905 N ALA A 98 -3.488 -22.067 -1.259 1.00 0.00 N ATOM 906 CA ALA A 98 -3.954 -21.863 -2.625 1.00 0.00 C ATOM 907 C ALA A 98 -3.538 -20.492 -3.148 1.00 0.00 C ATOM 908 O ALA A 98 -2.844 -20.386 -4.159 1.00 0.00 O ATOM 909 CB ALA A 98 -5.465 -22.022 -2.697 1.00 0.00 C ATOM 0 H ALA A 98 -4.179 -22.483 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.490 -22.620 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.799 -21.867 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.741 -23.026 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.940 -21.288 -2.046 1.00 0.00 H new ATOM 915 N LYS A 99 -3.968 -19.444 -2.453 1.00 0.00 N ATOM 916 CA LYS A 99 -3.640 -18.079 -2.846 1.00 0.00 C ATOM 917 C LYS A 99 -2.134 -17.906 -3.011 1.00 0.00 C ATOM 918 O LYS A 99 -1.653 -17.570 -4.094 1.00 0.00 O ATOM 919 CB LYS A 99 -4.167 -17.087 -1.807 1.00 0.00 C ATOM 920 CG LYS A 99 -5.576 -16.598 -2.092 1.00 0.00 C ATOM 921 CD LYS A 99 -6.501 -17.746 -2.462 1.00 0.00 C ATOM 922 CE LYS A 99 -7.760 -17.246 -3.154 1.00 0.00 C ATOM 923 NZ LYS A 99 -8.915 -18.160 -2.931 1.00 0.00 N ATOM 0 H LYS A 99 -4.545 -19.514 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.117 -17.880 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.147 -17.558 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.496 -16.229 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.967 -16.082 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.553 -15.872 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.976 -18.441 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.774 -18.299 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.007 -16.251 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.573 -17.151 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.754 -17.785 -3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.689 -19.103 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.110 -18.231 -1.912 1.00 0.00 H new ATOM 937 N ILE A 100 -1.394 -18.141 -1.932 1.00 0.00 N ATOM 938 CA ILE A 100 0.057 -18.014 -1.960 1.00 0.00 C ATOM 939 C ILE A 100 0.622 -18.449 -3.308 1.00 0.00 C ATOM 940 O ILE A 100 1.379 -17.714 -3.943 1.00 0.00 O ATOM 941 CB ILE A 100 0.717 -18.849 -0.846 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.482 -18.196 0.518 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.206 -19.007 -1.114 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.748 -19.121 1.684 1.00 0.00 C ATOM 0 H ILE A 100 -1.776 -18.420 -1.028 1.00 0.00 H new ATOM 0 HA ILE A 100 0.284 -16.961 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 100 0.262 -19.840 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.123 -17.319 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.548 -17.845 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.658 -19.599 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.352 -19.511 -2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.676 -18.024 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.561 -18.592 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.089 -19.987 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.786 -19.452 1.656 1.00 0.00 H new ATOM 956 N LYS A 101 0.248 -19.648 -3.740 1.00 0.00 N ATOM 957 CA LYS A 101 0.714 -20.181 -5.015 1.00 0.00 C ATOM 958 C LYS A 101 0.296 -19.276 -6.169 1.00 0.00 C ATOM 959 O LYS A 101 1.131 -18.611 -6.781 1.00 0.00 O ATOM 960 CB LYS A 101 0.161 -21.592 -5.233 1.00 0.00 C ATOM 961 CG LYS A 101 1.086 -22.691 -4.740 1.00 0.00 C ATOM 962 CD LYS A 101 0.884 -22.966 -3.259 1.00 0.00 C ATOM 963 CE LYS A 101 1.712 -24.154 -2.795 1.00 0.00 C ATOM 964 NZ LYS A 101 1.989 -24.100 -1.332 1.00 0.00 N ATOM 0 H LYS A 101 -0.377 -20.269 -3.226 1.00 0.00 H new ATOM 0 HA LYS A 101 1.803 -20.224 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.798 -21.680 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.029 -21.738 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.905 -23.603 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.122 -22.404 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.159 -22.082 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.171 -23.158 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.185 -25.078 -3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.654 -24.176 -3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.556 -24.927 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.514 -23.230 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.091 -24.105 -0.808 1.00 0.00 H new ATOM 978 N GLU A 102 -1.001 -19.254 -6.459 1.00 0.00 N ATOM 979 CA GLU A 102 -1.528 -18.429 -7.540 1.00 0.00 C ATOM 980 C GLU A 102 -0.813 -17.082 -7.594 1.00 0.00 C ATOM 981 O GLU A 102 -0.720 -16.458 -8.652 1.00 0.00 O ATOM 982 CB GLU A 102 -3.032 -18.213 -7.360 1.00 0.00 C ATOM 983 CG GLU A 102 -3.646 -17.301 -8.408 1.00 0.00 C ATOM 984 CD GLU A 102 -3.120 -17.579 -9.803 1.00 0.00 C ATOM 985 OE1 GLU A 102 -3.076 -18.764 -10.196 1.00 0.00 O ATOM 986 OE2 GLU A 102 -2.753 -16.611 -10.502 1.00 0.00 O ATOM 0 H GLU A 102 -1.706 -19.798 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.353 -18.952 -8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.536 -19.179 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.214 -17.791 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.729 -17.423 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.441 -16.263 -8.146 1.00 0.00 H new ATOM 993 N LEU A 103 -0.310 -16.640 -6.447 1.00 0.00 N ATOM 994 CA LEU A 103 0.397 -15.366 -6.362 1.00 0.00 C ATOM 995 C LEU A 103 1.906 -15.584 -6.299 1.00 0.00 C ATOM 996 O LEU A 103 2.612 -14.905 -5.554 1.00 0.00 O ATOM 997 CB LEU A 103 -0.068 -14.583 -5.133 1.00 0.00 C ATOM 998 CG LEU A 103 -1.577 -14.380 -4.998 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.917 -13.787 -3.639 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.097 -13.488 -6.116 1.00 0.00 C ATOM 0 H LEU A 103 -0.378 -17.144 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 103 0.168 -14.791 -7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.290 -15.098 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.410 -13.604 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.064 -15.352 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.996 -13.650 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.580 -14.462 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.420 -12.823 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.173 -13.354 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.604 -12.517 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.887 -13.953 -7.079 1.00 0.00 H new ATOM 1012 N LYS A 104 2.394 -16.534 -7.089 1.00 0.00 N ATOM 1013 CA LYS A 104 3.819 -16.840 -7.127 1.00 0.00 C ATOM 1014 C LYS A 104 4.600 -15.712 -7.793 1.00 0.00 C ATOM 1015 O LYS A 104 4.254 -15.265 -8.886 1.00 0.00 O ATOM 1016 CB LYS A 104 4.060 -18.153 -7.877 1.00 0.00 C ATOM 1017 CG LYS A 104 5.293 -18.904 -7.406 1.00 0.00 C ATOM 1018 CD LYS A 104 5.899 -19.737 -8.524 1.00 0.00 C ATOM 1019 CE LYS A 104 7.321 -20.164 -8.193 1.00 0.00 C ATOM 1020 NZ LYS A 104 7.349 -21.293 -7.223 1.00 0.00 N ATOM 0 H LYS A 104 1.823 -17.106 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 104 4.170 -16.945 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.187 -18.795 -7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.158 -17.941 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.034 -18.194 -7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.029 -19.552 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.284 -20.620 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.897 -19.162 -9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.834 -20.459 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.868 -19.316 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.336 -21.555 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.882 -21.004 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.849 -22.111 -7.627 1.00 0.00 H new ATOM 1034 N GLY A 105 5.657 -15.256 -7.127 1.00 0.00 N ATOM 1035 CA GLY A 105 6.471 -14.185 -7.670 1.00 0.00 C ATOM 1036 C GLY A 105 5.902 -12.813 -7.366 1.00 0.00 C ATOM 1037 O GLY A 105 6.646 -11.842 -7.232 1.00 0.00 O ATOM 0 H GLY A 105 5.964 -15.610 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.479 -14.256 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.556 -14.309 -8.750 1.00 0.00 H new ATOM 1041 N GLU A 106 4.580 -12.733 -7.258 1.00 0.00 N ATOM 1042 CA GLU A 106 3.913 -11.468 -6.971 1.00 0.00 C ATOM 1043 C GLU A 106 4.492 -10.820 -5.717 1.00 0.00 C ATOM 1044 O GLU A 106 5.048 -11.499 -4.853 1.00 0.00 O ATOM 1045 CB GLU A 106 2.408 -11.688 -6.796 1.00 0.00 C ATOM 1046 CG GLU A 106 1.659 -11.842 -8.108 1.00 0.00 C ATOM 1047 CD GLU A 106 2.344 -12.800 -9.063 1.00 0.00 C ATOM 1048 OE1 GLU A 106 2.048 -14.011 -9.001 1.00 0.00 O ATOM 1049 OE2 GLU A 106 3.177 -12.339 -9.871 1.00 0.00 O ATOM 0 H GLU A 106 3.950 -13.528 -7.365 1.00 0.00 H new ATOM 0 HA GLU A 106 4.080 -10.799 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.248 -12.579 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.988 -10.847 -6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.649 -12.197 -7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.564 -10.866 -8.584 1.00 0.00 H new ATOM 1056 N LYS A 107 4.359 -9.502 -5.624 1.00 0.00 N ATOM 1057 CA LYS A 107 4.868 -8.759 -4.477 1.00 0.00 C ATOM 1058 C LYS A 107 3.772 -8.543 -3.439 1.00 0.00 C ATOM 1059 O LYS A 107 2.903 -7.687 -3.608 1.00 0.00 O ATOM 1060 CB LYS A 107 5.433 -7.410 -4.926 1.00 0.00 C ATOM 1061 CG LYS A 107 6.588 -7.530 -5.906 1.00 0.00 C ATOM 1062 CD LYS A 107 7.426 -6.263 -5.939 1.00 0.00 C ATOM 1063 CE LYS A 107 8.710 -6.464 -6.728 1.00 0.00 C ATOM 1064 NZ LYS A 107 8.443 -6.694 -8.175 1.00 0.00 N ATOM 0 H LYS A 107 3.902 -8.925 -6.330 1.00 0.00 H new ATOM 0 HA LYS A 107 5.665 -9.346 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.636 -6.827 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.768 -6.856 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.217 -8.376 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.200 -7.737 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.847 -5.454 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.667 -5.959 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.348 -5.588 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.257 -7.314 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.344 -6.826 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.855 -7.544 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.943 -5.872 -8.571 1.00 0.00 H new ATOM 1078 N VAL A 108 3.819 -9.323 -2.364 1.00 0.00 N ATOM 1079 CA VAL A 108 2.831 -9.214 -1.297 1.00 0.00 C ATOM 1080 C VAL A 108 3.402 -8.474 -0.093 1.00 0.00 C ATOM 1081 O VAL A 108 4.274 -8.988 0.609 1.00 0.00 O ATOM 1082 CB VAL A 108 2.337 -10.602 -0.846 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.250 -10.465 0.209 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.836 -11.402 -2.039 1.00 0.00 C ATOM 0 H VAL A 108 4.530 -10.037 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 108 1.990 -8.650 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 108 3.174 -11.140 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.913 -11.455 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.647 -9.933 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.409 -9.908 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.491 -12.380 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.012 -10.870 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.646 -11.531 -2.757 1.00 0.00 H new ATOM 1094 N ILE A 109 2.904 -7.265 0.142 1.00 0.00 N ATOM 1095 CA ILE A 109 3.363 -6.454 1.263 1.00 0.00 C ATOM 1096 C ILE A 109 2.295 -6.360 2.347 1.00 0.00 C ATOM 1097 O ILE A 109 1.101 -6.461 2.067 1.00 0.00 O ATOM 1098 CB ILE A 109 3.746 -5.033 0.810 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.549 -5.087 -0.491 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.538 -4.325 1.899 1.00 0.00 C ATOM 1101 CD1 ILE A 109 5.916 -5.716 -0.331 1.00 0.00 C ATOM 0 H ILE A 109 2.182 -6.825 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 109 4.246 -6.947 1.669 1.00 0.00 H new ATOM 0 HB ILE A 109 2.832 -4.468 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.984 -5.649 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.667 -4.075 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.801 -3.322 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.933 -4.258 2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.448 -4.887 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.429 -5.721 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.499 -5.141 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.806 -6.740 0.027 1.00 0.00 H new ATOM 1113 N ARG A 110 2.733 -6.163 3.586 1.00 0.00 N ATOM 1114 CA ARG A 110 1.815 -6.054 4.713 1.00 0.00 C ATOM 1115 C ARG A 110 1.266 -4.635 4.832 1.00 0.00 C ATOM 1116 O ARG A 110 1.871 -3.669 4.368 1.00 0.00 O ATOM 1117 CB ARG A 110 2.519 -6.451 6.012 1.00 0.00 C ATOM 1118 CG ARG A 110 2.635 -7.954 6.208 1.00 0.00 C ATOM 1119 CD ARG A 110 3.485 -8.294 7.422 1.00 0.00 C ATOM 1120 NE ARG A 110 3.681 -9.733 7.568 1.00 0.00 N ATOM 1121 CZ ARG A 110 2.751 -10.558 8.037 1.00 0.00 C ATOM 1122 NH1 ARG A 110 1.567 -10.087 8.404 1.00 0.00 N ATOM 1123 NH2 ARG A 110 3.004 -11.856 8.140 1.00 0.00 N ATOM 0 H ARG A 110 3.718 -6.076 3.835 1.00 0.00 H new ATOM 0 HA ARG A 110 0.981 -6.734 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.517 -6.014 6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.975 -6.024 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.641 -8.384 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.073 -8.405 5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.454 -7.803 7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.008 -7.900 8.320 1.00 0.00 H new ATOM 0 HE ARG A 110 4.581 -10.127 7.295 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.369 -9.089 8.327 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.855 -10.722 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.914 -12.222 7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.289 -12.488 8.500 1.00 0.00 H new ATOM 1137 N PRO A 111 0.093 -4.506 5.469 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.563 -3.210 5.664 1.00 0.00 C ATOM 1139 C PRO A 111 0.184 -2.325 6.656 1.00 0.00 C ATOM 1140 O PRO A 111 -0.233 -1.202 6.935 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.940 -3.588 6.217 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.737 -4.916 6.862 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.684 -5.615 6.048 1.00 0.00 C ATOM 0 HA PRO A 111 -0.603 -2.631 4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.295 -2.849 6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.684 -3.643 5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.418 -4.802 7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.664 -5.489 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.062 -6.262 6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.126 -6.243 5.274 1.00 0.00 H new ATOM 1151 N GLU A 112 1.290 -2.840 7.185 1.00 0.00 N ATOM 1152 CA GLU A 112 2.094 -2.095 8.146 1.00 0.00 C ATOM 1153 C GLU A 112 3.127 -1.225 7.434 1.00 0.00 C ATOM 1154 O GLU A 112 3.466 -0.138 7.901 1.00 0.00 O ATOM 1155 CB GLU A 112 2.797 -3.055 9.109 1.00 0.00 C ATOM 1156 CG GLU A 112 1.956 -3.429 10.317 1.00 0.00 C ATOM 1157 CD GLU A 112 2.135 -2.464 11.473 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.253 -1.933 11.637 1.00 0.00 O ATOM 1159 OE2 GLU A 112 1.155 -2.239 12.214 1.00 0.00 O ATOM 0 H GLU A 112 1.649 -3.769 6.964 1.00 0.00 H new ATOM 0 HA GLU A 112 1.427 -1.446 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.068 -3.963 8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.726 -2.598 9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.905 -3.455 10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.222 -4.434 10.643 1.00 0.00 H new ATOM 1166 N TRP A 113 3.621 -1.712 6.302 1.00 0.00 N ATOM 1167 CA TRP A 113 4.615 -0.980 5.525 1.00 0.00 C ATOM 1168 C TRP A 113 4.150 0.446 5.252 1.00 0.00 C ATOM 1169 O TRP A 113 4.953 1.380 5.247 1.00 0.00 O ATOM 1170 CB TRP A 113 4.892 -1.701 4.205 1.00 0.00 C ATOM 1171 CG TRP A 113 5.706 -0.888 3.244 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.950 -0.366 3.460 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.333 -0.503 1.916 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.372 0.321 2.347 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.399 0.251 1.386 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.204 -0.724 1.123 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.365 0.784 0.100 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.172 -0.193 -0.153 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.247 0.553 -0.654 1.00 0.00 C ATOM 0 H TRP A 113 3.350 -2.610 5.901 1.00 0.00 H new ATOM 0 HA TRP A 113 5.535 -0.937 6.107 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.414 -2.635 4.412 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.943 -1.963 3.736 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.518 -0.477 4.372 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.265 0.805 2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.371 -1.299 1.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.192 1.360 -0.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.304 -0.356 -0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.192 0.954 -1.655 1.00 0.00 H new ATOM 1190 N ILE A 114 2.851 0.607 5.026 1.00 0.00 N ATOM 1191 CA ILE A 114 2.280 1.921 4.753 1.00 0.00 C ATOM 1192 C ILE A 114 1.990 2.673 6.048 1.00 0.00 C ATOM 1193 O ILE A 114 2.474 3.786 6.254 1.00 0.00 O ATOM 1194 CB ILE A 114 0.980 1.811 3.934 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.236 1.050 2.631 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.419 3.195 3.645 1.00 0.00 C ATOM 1197 CD1 ILE A 114 -0.029 0.579 1.949 1.00 0.00 C ATOM 0 H ILE A 114 2.174 -0.156 5.026 1.00 0.00 H new ATOM 0 HA ILE A 114 3.019 2.473 4.172 1.00 0.00 H new ATOM 0 HB ILE A 114 0.245 1.257 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.790 1.693 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.869 0.188 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.500 3.102 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.205 3.704 4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.149 3.772 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.228 0.048 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.574 -0.090 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.654 1.439 1.707 1.00 0.00 H new ATOM 1209 N VAL A 115 1.197 2.057 6.919 1.00 0.00 N ATOM 1210 CA VAL A 115 0.844 2.666 8.195 1.00 0.00 C ATOM 1211 C VAL A 115 2.067 3.278 8.869 1.00 0.00 C ATOM 1212 O VAL A 115 2.027 4.416 9.335 1.00 0.00 O ATOM 1213 CB VAL A 115 0.205 1.640 9.150 1.00 0.00 C ATOM 1214 CG1 VAL A 115 -0.110 2.283 10.492 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -1.049 1.044 8.528 1.00 0.00 C ATOM 0 H VAL A 115 0.787 1.136 6.764 1.00 0.00 H new ATOM 0 HA VAL A 115 0.119 3.452 7.980 1.00 0.00 H new ATOM 0 HB VAL A 115 0.918 0.833 9.320 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.561 1.543 11.153 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.810 2.658 10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.805 3.110 10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.488 0.321 9.216 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.769 1.838 8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.790 0.545 7.594 1.00 0.00 H new ATOM 1225 N GLU A 116 3.154 2.513 8.917 1.00 0.00 N ATOM 1226 CA GLU A 116 4.389 2.980 9.535 1.00 0.00 C ATOM 1227 C GLU A 116 5.011 4.111 8.720 1.00 0.00 C ATOM 1228 O GLU A 116 5.480 5.105 9.275 1.00 0.00 O ATOM 1229 CB GLU A 116 5.386 1.827 9.670 1.00 0.00 C ATOM 1230 CG GLU A 116 5.075 0.887 10.823 1.00 0.00 C ATOM 1231 CD GLU A 116 5.687 1.345 12.132 1.00 0.00 C ATOM 1232 OE1 GLU A 116 6.917 1.203 12.292 1.00 0.00 O ATOM 1233 OE2 GLU A 116 4.936 1.846 12.995 1.00 0.00 O ATOM 0 H GLU A 116 3.204 1.568 8.536 1.00 0.00 H new ATOM 0 HA GLU A 116 4.147 3.360 10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.398 1.257 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.387 2.237 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.994 0.807 10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.444 -0.110 10.583 1.00 0.00 H new ATOM 1240 N SER A 117 5.011 3.951 7.400 1.00 0.00 N ATOM 1241 CA SER A 117 5.579 4.955 6.509 1.00 0.00 C ATOM 1242 C SER A 117 4.901 6.307 6.711 1.00 0.00 C ATOM 1243 O SER A 117 5.546 7.354 6.642 1.00 0.00 O ATOM 1244 CB SER A 117 5.436 4.513 5.051 1.00 0.00 C ATOM 1245 OG SER A 117 6.461 3.603 4.691 1.00 0.00 O ATOM 0 H SER A 117 4.624 3.136 6.925 1.00 0.00 H new ATOM 0 HA SER A 117 6.637 5.060 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.462 4.046 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.474 5.385 4.398 1.00 0.00 H new ATOM 0 HG SER A 117 6.147 2.685 4.829 1.00 0.00 H new ATOM 1251 N ILE A 118 3.596 6.276 6.960 1.00 0.00 N ATOM 1252 CA ILE A 118 2.830 7.497 7.173 1.00 0.00 C ATOM 1253 C ILE A 118 3.234 8.179 8.476 1.00 0.00 C ATOM 1254 O ILE A 118 3.673 9.329 8.478 1.00 0.00 O ATOM 1255 CB ILE A 118 1.317 7.215 7.203 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.836 6.747 5.827 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.554 8.456 7.641 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.523 6.084 5.855 1.00 0.00 C ATOM 0 H ILE A 118 3.047 5.418 7.019 1.00 0.00 H new ATOM 0 HA ILE A 118 3.051 8.158 6.335 1.00 0.00 H new ATOM 0 HB ILE A 118 1.126 6.421 7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.800 7.603 5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.564 6.048 5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.514 8.240 7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.880 8.750 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.749 9.269 6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.800 5.778 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.487 5.208 6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.263 6.787 6.237 1.00 0.00 H new ATOM 1270 N LYS A 119 3.084 7.461 9.584 1.00 0.00 N ATOM 1271 CA LYS A 119 3.436 7.994 10.895 1.00 0.00 C ATOM 1272 C LYS A 119 4.848 8.571 10.887 1.00 0.00 C ATOM 1273 O LYS A 119 5.104 9.618 11.480 1.00 0.00 O ATOM 1274 CB LYS A 119 3.327 6.899 11.959 1.00 0.00 C ATOM 1275 CG LYS A 119 1.903 6.431 12.206 1.00 0.00 C ATOM 1276 CD LYS A 119 1.866 4.993 12.696 1.00 0.00 C ATOM 1277 CE LYS A 119 0.455 4.570 13.076 1.00 0.00 C ATOM 1278 NZ LYS A 119 -0.086 5.386 14.198 1.00 0.00 N ATOM 0 H LYS A 119 2.721 6.508 9.600 1.00 0.00 H new ATOM 0 HA LYS A 119 2.737 8.795 11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.933 6.046 11.654 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.746 7.270 12.894 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.428 7.080 12.942 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.326 6.518 11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.248 4.332 11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.524 4.884 13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.199 4.666 12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.455 3.518 13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.895 4.893 14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.655 5.525 14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.396 6.311 13.837 1.00 0.00 H new ATOM 1292 N ALA A 120 5.760 7.881 10.211 1.00 0.00 N ATOM 1293 CA ALA A 120 7.145 8.327 10.123 1.00 0.00 C ATOM 1294 C ALA A 120 7.277 9.529 9.194 1.00 0.00 C ATOM 1295 O ALA A 120 8.185 10.345 9.344 1.00 0.00 O ATOM 1296 CB ALA A 120 8.037 7.189 9.647 1.00 0.00 C ATOM 0 H ALA A 120 5.565 7.011 9.716 1.00 0.00 H new ATOM 0 HA ALA A 120 7.466 8.634 11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.068 7.536 9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.975 6.359 10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.708 6.856 8.663 1.00 0.00 H new ATOM 1302 N GLY A 121 6.364 9.631 8.232 1.00 0.00 N ATOM 1303 CA GLY A 121 6.397 10.736 7.292 1.00 0.00 C ATOM 1304 C GLY A 121 7.369 10.499 6.153 1.00 0.00 C ATOM 1305 O GLY A 121 7.939 11.445 5.608 1.00 0.00 O ATOM 0 H GLY A 121 5.602 8.968 8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.398 10.894 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.675 11.649 7.819 1.00 0.00 H new ATOM 1309 N ARG A 122 7.560 9.234 5.794 1.00 0.00 N ATOM 1310 CA ARG A 122 8.472 8.876 4.714 1.00 0.00 C ATOM 1311 C ARG A 122 8.260 7.429 4.280 1.00 0.00 C ATOM 1312 O ARG A 122 7.392 6.732 4.808 1.00 0.00 O ATOM 1313 CB ARG A 122 9.923 9.080 5.155 1.00 0.00 C ATOM 1314 CG ARG A 122 10.352 8.157 6.283 1.00 0.00 C ATOM 1315 CD ARG A 122 11.754 8.487 6.771 1.00 0.00 C ATOM 1316 NE ARG A 122 12.068 7.816 8.030 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.160 8.066 8.743 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.038 8.967 8.324 1.00 0.00 N ATOM 1319 NH2 ARG A 122 13.376 7.414 9.878 1.00 0.00 N ATOM 0 H ARG A 122 7.096 8.440 6.235 1.00 0.00 H new ATOM 0 HA ARG A 122 8.262 9.526 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.579 8.923 4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.055 10.114 5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.648 8.241 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.319 7.123 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.480 8.193 6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 122 11.848 9.565 6.902 1.00 0.00 H new ATOM 0 HE ARG A 122 11.413 7.117 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.876 9.470 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.876 9.157 8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 122 12.703 6.720 10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.215 7.607 10.425 1.00 0.00 H new ATOM 1333 N LEU A 123 9.057 6.983 3.315 1.00 0.00 N ATOM 1334 CA LEU A 123 8.956 5.618 2.809 1.00 0.00 C ATOM 1335 C LEU A 123 9.967 4.707 3.497 1.00 0.00 C ATOM 1336 O LEU A 123 11.151 5.033 3.590 1.00 0.00 O ATOM 1337 CB LEU A 123 9.179 5.597 1.296 1.00 0.00 C ATOM 1338 CG LEU A 123 8.548 4.426 0.541 1.00 0.00 C ATOM 1339 CD1 LEU A 123 9.046 3.101 1.099 1.00 0.00 C ATOM 1340 CD2 LEU A 123 7.030 4.501 0.614 1.00 0.00 C ATOM 0 H LEU A 123 9.780 7.546 2.867 1.00 0.00 H new ATOM 0 HA LEU A 123 7.954 5.248 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.789 6.525 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.252 5.589 1.107 1.00 0.00 H new ATOM 0 HG LEU A 123 8.845 4.490 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 123 8.587 2.279 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.130 3.046 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.779 3.027 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.598 3.660 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 123 6.713 4.462 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.690 5.435 0.167 1.00 0.00 H new ATOM 1352 N LEU A 124 9.494 3.562 3.976 1.00 0.00 N ATOM 1353 CA LEU A 124 10.357 2.600 4.653 1.00 0.00 C ATOM 1354 C LEU A 124 10.633 1.394 3.762 1.00 0.00 C ATOM 1355 O LEU A 124 10.125 1.306 2.644 1.00 0.00 O ATOM 1356 CB LEU A 124 9.715 2.144 5.965 1.00 0.00 C ATOM 1357 CG LEU A 124 9.298 3.255 6.930 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.144 2.795 7.807 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.479 3.690 7.785 1.00 0.00 C ATOM 0 H LEU A 124 8.517 3.277 3.908 1.00 0.00 H new ATOM 0 HA LEU A 124 11.305 3.091 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.834 1.547 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.416 1.487 6.480 1.00 0.00 H new ATOM 0 HG LEU A 124 8.964 4.112 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.861 3.599 8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.292 2.534 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.451 1.923 8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.164 4.481 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 124 10.844 2.840 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.277 4.061 7.142 1.00 0.00 H new ATOM 1371 N SER A 125 11.438 0.464 4.266 1.00 0.00 N ATOM 1372 CA SER A 125 11.783 -0.738 3.515 1.00 0.00 C ATOM 1373 C SER A 125 10.562 -1.636 3.337 1.00 0.00 C ATOM 1374 O SER A 125 9.668 -1.662 4.183 1.00 0.00 O ATOM 1375 CB SER A 125 12.897 -1.507 4.227 1.00 0.00 C ATOM 1376 OG SER A 125 12.632 -1.621 5.615 1.00 0.00 O ATOM 0 H SER A 125 11.864 0.520 5.191 1.00 0.00 H new ATOM 0 HA SER A 125 12.135 -0.433 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.994 -2.501 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.849 -0.998 4.076 1.00 0.00 H new ATOM 0 HG SER A 125 13.358 -2.118 6.047 1.00 0.00 H new ATOM 1382 N TYR A 126 10.533 -2.370 2.231 1.00 0.00 N ATOM 1383 CA TYR A 126 9.421 -3.268 1.939 1.00 0.00 C ATOM 1384 C TYR A 126 9.888 -4.720 1.908 1.00 0.00 C ATOM 1385 O TYR A 126 9.078 -5.645 1.962 1.00 0.00 O ATOM 1386 CB TYR A 126 8.778 -2.898 0.602 1.00 0.00 C ATOM 1387 CG TYR A 126 9.624 -3.260 -0.598 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.725 -4.577 -1.030 1.00 0.00 C ATOM 1389 CD2 TYR A 126 10.323 -2.285 -1.299 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.498 -4.912 -2.125 1.00 0.00 C ATOM 1391 CE2 TYR A 126 11.096 -2.611 -2.396 1.00 0.00 C ATOM 1392 CZ TYR A 126 11.181 -3.926 -2.805 1.00 0.00 C ATOM 1393 OH TYR A 126 11.952 -4.255 -3.897 1.00 0.00 O ATOM 0 H TYR A 126 11.266 -2.361 1.522 1.00 0.00 H new ATOM 0 HA TYR A 126 8.681 -3.160 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.814 -3.400 0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.581 -1.826 0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.190 -5.352 -0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 126 10.261 -1.255 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.567 -5.941 -2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 126 11.631 -1.841 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 126 12.365 -3.445 -4.262 1.00 0.00 H new ATOM 1403 N ILE A 127 11.200 -4.911 1.821 1.00 0.00 N ATOM 1404 CA ILE A 127 11.776 -6.250 1.784 1.00 0.00 C ATOM 1405 C ILE A 127 11.333 -7.072 2.990 1.00 0.00 C ATOM 1406 O ILE A 127 10.728 -8.136 2.858 1.00 0.00 O ATOM 1407 CB ILE A 127 13.315 -6.200 1.749 1.00 0.00 C ATOM 1408 CG1 ILE A 127 13.813 -6.178 0.302 1.00 0.00 C ATOM 1409 CG2 ILE A 127 13.901 -7.387 2.498 1.00 0.00 C ATOM 1410 CD1 ILE A 127 15.141 -5.474 0.131 1.00 0.00 C ATOM 0 H ILE A 127 11.884 -4.156 1.775 1.00 0.00 H new ATOM 0 HA ILE A 127 11.415 -6.724 0.871 1.00 0.00 H new ATOM 0 HB ILE A 127 13.645 -5.286 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.905 -7.203 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.067 -5.687 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 127 14.989 -7.337 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.569 -7.362 3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.565 -8.313 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 127 15.432 -5.497 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.049 -4.439 0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 127 15.900 -5.978 0.729 1.00 0.00 H new ATOM 1422 N PRO A 128 11.638 -6.567 4.194 1.00 0.00 N ATOM 1423 CA PRO A 128 11.279 -7.238 5.447 1.00 0.00 C ATOM 1424 C PRO A 128 9.776 -7.212 5.708 1.00 0.00 C ATOM 1425 O PRO A 128 9.305 -7.715 6.729 1.00 0.00 O ATOM 1426 CB PRO A 128 12.020 -6.423 6.511 1.00 0.00 C ATOM 1427 CG PRO A 128 12.192 -5.074 5.903 1.00 0.00 C ATOM 1428 CD PRO A 128 12.357 -5.303 4.426 1.00 0.00 C ATOM 0 HA PRO A 128 11.548 -8.294 5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.449 -6.370 7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 128 12.982 -6.873 6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.328 -4.442 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 128 13.063 -4.567 6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.932 -4.486 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.408 -5.381 4.146 1.00 0.00 H new ATOM 1436 N TYR A 129 9.030 -6.623 4.781 1.00 0.00 N ATOM 1437 CA TYR A 129 7.580 -6.531 4.912 1.00 0.00 C ATOM 1438 C TYR A 129 6.882 -7.404 3.874 1.00 0.00 C ATOM 1439 O TYR A 129 5.671 -7.613 3.937 1.00 0.00 O ATOM 1440 CB TYR A 129 7.126 -5.078 4.761 1.00 0.00 C ATOM 1441 CG TYR A 129 7.350 -4.242 6.001 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.396 -4.190 7.010 1.00 0.00 C ATOM 1443 CD2 TYR A 129 8.516 -3.504 6.163 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.597 -3.426 8.143 1.00 0.00 C ATOM 1445 CE2 TYR A 129 8.726 -2.739 7.294 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.763 -2.703 8.281 1.00 0.00 C ATOM 1447 OH TYR A 129 7.967 -1.942 9.409 1.00 0.00 O ATOM 0 H TYR A 129 9.404 -6.202 3.931 1.00 0.00 H new ATOM 0 HA TYR A 129 7.306 -6.890 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.660 -4.624 3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.066 -5.062 4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.482 -4.756 6.907 1.00 0.00 H new ATOM 0 HD2 TYR A 129 9.271 -3.529 5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 129 5.845 -3.395 8.917 1.00 0.00 H new ATOM 0 HE2 TYR A 129 9.639 -2.172 7.405 1.00 0.00 H new ATOM 0 HH TYR A 129 8.838 -1.497 9.350 1.00 0.00 H new ATOM 1457 N GLN A 130 7.657 -7.913 2.921 1.00 0.00 N ATOM 1458 CA GLN A 130 7.114 -8.764 1.869 1.00 0.00 C ATOM 1459 C GLN A 130 6.549 -10.055 2.451 1.00 0.00 C ATOM 1460 O GLN A 130 6.887 -10.445 3.570 1.00 0.00 O ATOM 1461 CB GLN A 130 8.195 -9.086 0.836 1.00 0.00 C ATOM 1462 CG GLN A 130 8.273 -8.077 -0.298 1.00 0.00 C ATOM 1463 CD GLN A 130 9.403 -8.371 -1.264 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.616 -8.494 -0.737 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 9.189 -8.487 -2.471 1.00 0.00 N flip ATOM 0 H GLN A 130 8.662 -7.751 2.856 1.00 0.00 H new ATOM 0 HA GLN A 130 6.304 -8.223 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.162 -9.133 1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.004 -10.075 0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.328 -8.073 -0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.406 -7.078 0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.241 -8.385 -2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 130 9.960 -8.685 -3.109 1.00 0.00 H new ATOM 1474 N LEU A 131 5.686 -10.715 1.687 1.00 0.00 N ATOM 1475 CA LEU A 131 5.073 -11.964 2.127 1.00 0.00 C ATOM 1476 C LEU A 131 5.183 -13.035 1.046 1.00 0.00 C ATOM 1477 O LEU A 131 5.089 -12.740 -0.146 1.00 0.00 O ATOM 1478 CB LEU A 131 3.604 -11.734 2.486 1.00 0.00 C ATOM 1479 CG LEU A 131 3.337 -11.105 3.854 1.00 0.00 C ATOM 1480 CD1 LEU A 131 1.927 -10.540 3.916 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.555 -12.125 4.962 1.00 0.00 C ATOM 0 H LEU A 131 5.395 -10.406 0.760 1.00 0.00 H new ATOM 0 HA LEU A 131 5.607 -12.311 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.160 -11.096 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.086 -12.692 2.442 1.00 0.00 H new ATOM 0 HG LEU A 131 4.041 -10.285 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.755 -10.097 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.807 -9.777 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.207 -11.341 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.360 -11.660 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.876 -12.966 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.585 -12.481 4.931 1.00 0.00 H new ATOM 1493 N TYR A 132 5.380 -14.278 1.471 1.00 0.00 N ATOM 1494 CA TYR A 132 5.503 -15.393 0.540 1.00 0.00 C ATOM 1495 C TYR A 132 6.260 -14.973 -0.716 1.00 0.00 C ATOM 1496 O TYR A 132 5.922 -15.384 -1.827 1.00 0.00 O ATOM 1497 CB TYR A 132 4.119 -15.923 0.161 1.00 0.00 C ATOM 1498 CG TYR A 132 3.160 -16.000 1.328 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.243 -17.032 2.254 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.170 -15.040 1.503 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.368 -17.106 3.321 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.292 -15.106 2.568 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.395 -16.141 3.474 1.00 0.00 C ATOM 1504 OH TYR A 132 0.522 -16.210 4.535 1.00 0.00 O ATOM 0 H TYR A 132 5.458 -14.539 2.454 1.00 0.00 H new ATOM 0 HA TYR A 132 6.066 -16.185 1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 132 3.691 -15.280 -0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.226 -16.916 -0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.004 -17.789 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.086 -14.229 0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.446 -17.916 4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.529 -14.351 2.690 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.249 -16.763 4.289 1.00 0.00 H new