USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 753 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 18 HIS : no HD1:sc= 0 X(o=0,f=0.19) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -17:sc= -0.537 USER MOD Single : A 22 MET CE :methyl -131:sc= -0.0385 (180deg=-1.15) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.03) USER MOD Single : A 34 SER OG : rot 87:sc= 0.36 USER MOD Single : A 35 SER OG : rot 83:sc= 1.24 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 57:sc= 1.13 USER MOD Single : A 39 THR OG1 : rot 23:sc= -0.383 USER MOD Single : A 40 SER OG : rot -162:sc= -1.56 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.103 F(o=-1.5!,f=-0.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.145 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 77:sc= -2.12 USER MOD Single : A 80 HIS : no HE2:sc= 0.984 K(o=0.98,f=-4.8!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.125 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 2.08 K(o=2.1,f=-3.9!) USER MOD Single : A 104 ASN : amide:sc= -5.71! C(o=-5.7!,f=-13!) USER MOD Single : A 107 MET CE :methyl -169:sc= 0 (180deg=-0.133) USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.12) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 97 N GLU A 7 -6.381 13.646 4.243 1.00 0.00 N ATOM 98 CA GLU A 7 -6.194 12.399 4.985 1.00 0.00 C ATOM 99 C GLU A 7 -5.575 11.349 4.081 1.00 0.00 C ATOM 100 O GLU A 7 -5.384 10.193 4.450 1.00 0.00 O ATOM 101 CB GLU A 7 -7.529 11.934 5.536 1.00 0.00 C ATOM 102 CG GLU A 7 -8.359 13.092 6.048 1.00 0.00 C ATOM 103 CD GLU A 7 -7.766 13.726 7.293 1.00 0.00 C ATOM 104 OE1 GLU A 7 -7.189 14.828 7.183 1.00 0.00 O ATOM 105 OE2 GLU A 7 -7.857 13.119 8.381 1.00 0.00 O ATOM 0 HA GLU A 7 -5.515 12.564 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.081 11.408 4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.361 11.222 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.446 13.846 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.368 12.743 6.267 1.00 0.00 H new ATOM 112 N PHE A 8 -5.245 11.799 2.893 1.00 0.00 N ATOM 113 CA PHE A 8 -4.624 10.989 1.879 1.00 0.00 C ATOM 114 C PHE A 8 -3.367 11.734 1.526 1.00 0.00 C ATOM 115 O PHE A 8 -3.137 12.114 0.383 1.00 0.00 O ATOM 116 CB PHE A 8 -5.506 10.833 0.632 1.00 0.00 C ATOM 117 CG PHE A 8 -6.992 10.829 0.879 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.756 9.698 0.625 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.628 11.974 1.327 1.00 0.00 C ATOM 120 CE1 PHE A 8 -9.127 9.720 0.813 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.987 11.995 1.524 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.738 10.877 1.264 1.00 0.00 C ATOM 0 H PHE A 8 -5.406 12.763 2.601 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.444 9.977 2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.273 11.643 -0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.237 9.902 0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.277 8.794 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.047 12.863 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.717 8.839 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.465 12.894 1.884 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.808 10.900 1.411 1.00 0.00 H new ATOM 132 N ALA A 9 -2.582 11.988 2.550 1.00 0.00 N ATOM 133 CA ALA A 9 -1.391 12.746 2.415 1.00 0.00 C ATOM 134 C ALA A 9 -0.334 12.231 3.367 1.00 0.00 C ATOM 135 O ALA A 9 -0.454 11.142 3.930 1.00 0.00 O ATOM 136 CB ALA A 9 -1.706 14.208 2.680 1.00 0.00 C ATOM 0 H ALA A 9 -2.767 11.665 3.500 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.999 12.647 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.797 14.800 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.448 14.556 1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.100 14.318 3.690 1.00 0.00 H new ATOM 142 N LEU A 10 0.678 13.043 3.541 1.00 0.00 N ATOM 143 CA LEU A 10 1.820 12.727 4.377 1.00 0.00 C ATOM 144 C LEU A 10 1.410 12.359 5.800 1.00 0.00 C ATOM 145 O LEU A 10 0.917 13.205 6.546 1.00 0.00 O ATOM 146 CB LEU A 10 2.742 13.931 4.410 1.00 0.00 C ATOM 147 CG LEU A 10 3.462 14.252 3.096 1.00 0.00 C ATOM 148 CD1 LEU A 10 2.628 15.206 2.253 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.838 14.843 3.372 1.00 0.00 C ATOM 0 H LEU A 10 0.737 13.961 3.099 1.00 0.00 H new ATOM 0 HA LEU A 10 2.325 11.860 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.160 14.803 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.492 13.770 5.184 1.00 0.00 H new ATOM 0 HG LEU A 10 3.593 13.325 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.153 15.424 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.666 14.746 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.466 16.132 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.335 15.065 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.730 15.761 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.435 14.127 3.937 1.00 0.00 H new ATOM 161 N GLY A 11 1.613 11.093 6.168 1.00 0.00 N ATOM 162 CA GLY A 11 1.263 10.641 7.502 1.00 0.00 C ATOM 163 C GLY A 11 -0.225 10.710 7.750 1.00 0.00 C ATOM 164 O GLY A 11 -0.676 10.816 8.892 1.00 0.00 O ATOM 0 H GLY A 11 2.014 10.375 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.606 9.616 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.782 11.252 8.240 1.00 0.00 H new ATOM 168 N GLY A 12 -0.988 10.647 6.672 1.00 0.00 N ATOM 169 CA GLY A 12 -2.422 10.717 6.775 1.00 0.00 C ATOM 170 C GLY A 12 -3.041 9.378 7.091 1.00 0.00 C ATOM 171 O GLY A 12 -2.543 8.334 6.660 1.00 0.00 O ATOM 0 H GLY A 12 -0.633 10.548 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.693 11.432 7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.833 11.092 5.838 1.00 0.00 H new ATOM 175 N ARG A 13 -4.114 9.410 7.863 1.00 0.00 N ATOM 176 CA ARG A 13 -4.821 8.203 8.242 1.00 0.00 C ATOM 177 C ARG A 13 -5.764 7.800 7.119 1.00 0.00 C ATOM 178 O ARG A 13 -6.630 8.572 6.705 1.00 0.00 O ATOM 179 CB ARG A 13 -5.594 8.412 9.547 1.00 0.00 C ATOM 180 CG ARG A 13 -6.632 9.519 9.466 1.00 0.00 C ATOM 181 CD ARG A 13 -6.293 10.687 10.383 1.00 0.00 C ATOM 182 NE ARG A 13 -4.873 11.052 10.318 1.00 0.00 N ATOM 183 CZ ARG A 13 -4.402 12.140 9.713 1.00 0.00 C ATOM 184 NH1 ARG A 13 -5.223 12.980 9.103 1.00 0.00 N ATOM 185 NH2 ARG A 13 -3.100 12.375 9.703 1.00 0.00 N ATOM 0 H ARG A 13 -4.516 10.268 8.241 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.098 7.404 8.409 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.089 7.480 9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.888 8.644 10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.704 9.874 8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.610 9.119 9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.900 11.549 10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.553 10.428 11.409 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.201 10.429 10.767 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.226 12.796 9.094 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.852 13.811 8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.461 11.723 10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.736 13.208 9.240 1.00 0.00 H new ATOM 199 N CYS A 14 -5.590 6.604 6.615 1.00 0.00 N ATOM 200 CA CYS A 14 -6.416 6.140 5.528 1.00 0.00 C ATOM 201 C CYS A 14 -6.752 4.664 5.647 1.00 0.00 C ATOM 202 O CYS A 14 -6.164 3.922 6.439 1.00 0.00 O ATOM 203 CB CYS A 14 -5.687 6.382 4.211 1.00 0.00 C ATOM 204 SG CYS A 14 -4.154 5.437 4.053 1.00 0.00 S ATOM 0 H CYS A 14 -4.888 5.937 6.937 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.353 6.695 5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.350 6.125 3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.461 7.444 4.120 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.788 5.004 5.223 1.00 0.00 H new ATOM 210 N LEU A 15 -7.740 4.273 4.872 1.00 0.00 N ATOM 211 CA LEU A 15 -8.163 2.892 4.771 1.00 0.00 C ATOM 212 C LEU A 15 -7.908 2.498 3.334 1.00 0.00 C ATOM 213 O LEU A 15 -8.175 3.291 2.439 1.00 0.00 O ATOM 214 CB LEU A 15 -9.638 2.725 5.142 1.00 0.00 C ATOM 215 CG LEU A 15 -9.909 2.536 6.637 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.385 2.301 6.890 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.102 1.377 7.187 1.00 0.00 C ATOM 0 H LEU A 15 -8.279 4.912 4.287 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.615 2.256 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.186 3.601 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.038 1.866 4.604 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.606 3.449 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.555 2.169 7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.956 3.159 6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.707 1.406 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.310 1.261 8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.375 0.462 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.039 1.574 7.045 1.00 0.00 H new ATOM 229 N ALA A 16 -7.396 1.317 3.087 1.00 0.00 N ATOM 230 CA ALA A 16 -7.087 0.950 1.721 1.00 0.00 C ATOM 231 C ALA A 16 -7.654 -0.403 1.382 1.00 0.00 C ATOM 232 O ALA A 16 -7.596 -1.331 2.187 1.00 0.00 O ATOM 233 CB ALA A 16 -5.586 1.008 1.482 1.00 0.00 C ATOM 0 H ALA A 16 -7.188 0.608 3.790 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.559 1.672 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.371 0.729 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.227 2.020 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.083 0.316 2.157 1.00 0.00 H new ATOM 239 N PHE A 17 -8.214 -0.501 0.194 1.00 0.00 N ATOM 240 CA PHE A 17 -8.821 -1.733 -0.246 1.00 0.00 C ATOM 241 C PHE A 17 -7.777 -2.715 -0.740 1.00 0.00 C ATOM 242 O PHE A 17 -7.260 -2.599 -1.854 1.00 0.00 O ATOM 243 CB PHE A 17 -9.863 -1.464 -1.332 1.00 0.00 C ATOM 244 CG PHE A 17 -11.249 -1.261 -0.794 1.00 0.00 C ATOM 245 CD1 PHE A 17 -12.057 -2.347 -0.490 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.743 0.016 -0.591 1.00 0.00 C ATOM 247 CE1 PHE A 17 -13.333 -2.160 0.008 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.018 0.209 -0.096 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.815 -0.880 0.202 1.00 0.00 C ATOM 0 H PHE A 17 -8.260 0.261 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.323 -2.182 0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.568 -0.580 -1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.872 -2.300 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.685 -3.349 -0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.125 0.871 -0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.952 -3.013 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.392 1.210 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.813 -0.731 0.586 1.00 0.00 H new ATOM 259 N HIS A 18 -7.471 -3.671 0.113 1.00 0.00 N ATOM 260 CA HIS A 18 -6.533 -4.723 -0.201 1.00 0.00 C ATOM 261 C HIS A 18 -7.354 -5.959 -0.493 1.00 0.00 C ATOM 262 O HIS A 18 -7.915 -6.576 0.419 1.00 0.00 O ATOM 263 CB HIS A 18 -5.564 -4.959 0.964 1.00 0.00 C ATOM 264 CG HIS A 18 -4.501 -5.977 0.678 1.00 0.00 C ATOM 265 ND1 HIS A 18 -4.580 -7.257 1.169 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.361 -5.849 -0.040 1.00 0.00 C ATOM 267 CE1 HIS A 18 -3.499 -7.877 0.736 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.725 -7.064 0.002 1.00 0.00 N ATOM 0 H HIS A 18 -7.870 -3.738 1.049 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.918 -4.457 -1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.087 -4.014 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.133 -5.279 1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.018 -4.960 -0.549 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.266 -8.910 0.946 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.837 -7.302 -0.439 1.00 0.00 H new ATOM 276 N GLY A 19 -7.486 -6.276 -1.769 1.00 0.00 N ATOM 277 CA GLY A 19 -8.287 -7.407 -2.158 1.00 0.00 C ATOM 278 C GLY A 19 -9.763 -7.099 -1.980 1.00 0.00 C ATOM 279 O GLY A 19 -10.309 -6.255 -2.691 1.00 0.00 O ATOM 0 H GLY A 19 -7.052 -5.769 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.086 -7.662 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.016 -8.276 -1.558 1.00 0.00 H new ATOM 283 N PRO A 20 -10.435 -7.765 -1.036 1.00 0.00 N ATOM 284 CA PRO A 20 -11.841 -7.546 -0.769 1.00 0.00 C ATOM 285 C PRO A 20 -12.130 -6.619 0.413 1.00 0.00 C ATOM 286 O PRO A 20 -13.279 -6.228 0.614 1.00 0.00 O ATOM 287 CB PRO A 20 -12.326 -8.950 -0.418 1.00 0.00 C ATOM 288 CG PRO A 20 -11.125 -9.680 0.113 1.00 0.00 C ATOM 289 CD PRO A 20 -9.904 -8.844 -0.199 1.00 0.00 C ATOM 0 HA PRO A 20 -12.323 -7.063 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.122 -8.914 0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.733 -9.453 -1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.217 -9.837 1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.042 -10.665 -0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.440 -8.457 0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.144 -9.423 -0.724 1.00 0.00 H new ATOM 297 N LEU A 21 -11.123 -6.250 1.200 1.00 0.00 N ATOM 298 CA LEU A 21 -11.401 -5.427 2.368 1.00 0.00 C ATOM 299 C LEU A 21 -10.564 -4.172 2.496 1.00 0.00 C ATOM 300 O LEU A 21 -9.565 -3.972 1.811 1.00 0.00 O ATOM 301 CB LEU A 21 -11.245 -6.257 3.632 1.00 0.00 C ATOM 302 CG LEU A 21 -12.499 -7.013 4.022 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.354 -7.635 5.396 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.695 -6.085 3.988 1.00 0.00 C ATOM 0 H LEU A 21 -10.144 -6.497 1.058 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.427 -5.085 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.431 -6.968 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.956 -5.601 4.453 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.652 -7.818 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.268 -8.171 5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.514 -8.330 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.175 -6.852 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.592 -6.637 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.539 -5.264 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.816 -5.685 2.981 1.00 0.00 H new ATOM 316 N MET A 22 -11.020 -3.339 3.426 1.00 0.00 N ATOM 317 CA MET A 22 -10.386 -2.082 3.761 1.00 0.00 C ATOM 318 C MET A 22 -9.420 -2.312 4.910 1.00 0.00 C ATOM 319 O MET A 22 -9.822 -2.743 5.987 1.00 0.00 O ATOM 320 CB MET A 22 -11.445 -1.042 4.170 1.00 0.00 C ATOM 321 CG MET A 22 -11.521 0.139 3.214 1.00 0.00 C ATOM 322 SD MET A 22 -12.707 1.396 3.735 1.00 0.00 S ATOM 323 CE MET A 22 -14.253 0.504 3.571 1.00 0.00 C ATOM 0 H MET A 22 -11.858 -3.529 3.975 1.00 0.00 H new ATOM 0 HA MET A 22 -9.848 -1.703 2.892 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.421 -1.526 4.219 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.219 -0.677 5.172 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.534 0.593 3.128 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.794 -0.221 2.222 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.967 1.112 3.015 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.079 -0.430 3.037 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.655 0.287 4.561 1.00 0.00 H new ATOM 333 N TYR A 23 -8.152 -2.057 4.676 1.00 0.00 N ATOM 334 CA TYR A 23 -7.145 -2.249 5.702 1.00 0.00 C ATOM 335 C TYR A 23 -6.635 -0.914 6.201 1.00 0.00 C ATOM 336 O TYR A 23 -6.414 0.008 5.415 1.00 0.00 O ATOM 337 CB TYR A 23 -5.990 -3.101 5.175 1.00 0.00 C ATOM 338 CG TYR A 23 -6.245 -4.583 5.313 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.397 -5.392 4.194 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.353 -5.168 6.567 1.00 0.00 C ATOM 341 CE1 TYR A 23 -6.649 -6.742 4.321 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.601 -6.519 6.704 1.00 0.00 C ATOM 343 CZ TYR A 23 -6.749 -7.301 5.576 1.00 0.00 C ATOM 344 OH TYR A 23 -7.001 -8.646 5.710 1.00 0.00 O ATOM 0 H TYR A 23 -7.791 -1.716 3.785 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.605 -2.777 6.537 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.818 -2.863 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.078 -2.842 5.714 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.317 -4.957 3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.241 -4.556 7.450 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.767 -7.357 3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.679 -6.961 7.686 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.040 -8.878 6.661 1.00 0.00 H new ATOM 354 N GLU A 24 -6.499 -0.816 7.515 1.00 0.00 N ATOM 355 CA GLU A 24 -6.004 0.389 8.159 1.00 0.00 C ATOM 356 C GLU A 24 -4.572 0.652 7.725 1.00 0.00 C ATOM 357 O GLU A 24 -3.738 -0.253 7.762 1.00 0.00 O ATOM 358 CB GLU A 24 -6.070 0.215 9.677 1.00 0.00 C ATOM 359 CG GLU A 24 -6.505 1.460 10.412 1.00 0.00 C ATOM 360 CD GLU A 24 -6.915 1.175 11.839 1.00 0.00 C ATOM 361 OE1 GLU A 24 -6.090 1.383 12.750 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.071 0.748 12.052 1.00 0.00 O ATOM 0 H GLU A 24 -6.729 -1.569 8.163 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.621 1.239 7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.761 -0.595 9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.089 -0.088 10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.690 2.184 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.340 1.918 9.882 1.00 0.00 H new ATOM 369 N ALA A 25 -4.275 1.869 7.294 1.00 0.00 N ATOM 370 CA ALA A 25 -2.927 2.169 6.859 1.00 0.00 C ATOM 371 C ALA A 25 -2.562 3.632 7.040 1.00 0.00 C ATOM 372 O ALA A 25 -3.402 4.525 6.919 1.00 0.00 O ATOM 373 CB ALA A 25 -2.758 1.768 5.407 1.00 0.00 C ATOM 0 H ALA A 25 -4.934 2.645 7.238 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.249 1.593 7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.742 1.995 5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.942 0.699 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.468 2.321 4.792 1.00 0.00 H new ATOM 379 N LYS A 26 -1.297 3.858 7.334 1.00 0.00 N ATOM 380 CA LYS A 26 -0.764 5.196 7.509 1.00 0.00 C ATOM 381 C LYS A 26 0.110 5.517 6.315 1.00 0.00 C ATOM 382 O LYS A 26 1.058 4.788 6.023 1.00 0.00 O ATOM 383 CB LYS A 26 0.041 5.274 8.804 1.00 0.00 C ATOM 384 CG LYS A 26 0.559 6.663 9.129 1.00 0.00 C ATOM 385 CD LYS A 26 1.346 6.658 10.423 1.00 0.00 C ATOM 386 CE LYS A 26 2.118 7.950 10.623 1.00 0.00 C ATOM 387 NZ LYS A 26 2.950 7.894 11.852 1.00 0.00 N ATOM 0 H LYS A 26 -0.607 3.117 7.459 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.575 5.921 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.583 4.929 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.886 4.589 8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.191 7.019 8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.277 7.357 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.665 6.509 11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.040 5.817 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.755 8.134 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.422 8.786 10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.466 8.790 11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.338 7.742 12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.630 7.110 11.776 1.00 0.00 H new ATOM 401 N ILE A 27 -0.226 6.580 5.611 1.00 0.00 N ATOM 402 CA ILE A 27 0.523 6.975 4.432 1.00 0.00 C ATOM 403 C ILE A 27 1.891 7.513 4.797 1.00 0.00 C ATOM 404 O ILE A 27 2.019 8.436 5.592 1.00 0.00 O ATOM 405 CB ILE A 27 -0.238 8.020 3.602 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.625 7.505 3.248 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.536 8.349 2.339 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.645 8.597 3.018 1.00 0.00 C ATOM 0 H ILE A 27 -1.014 7.187 5.835 1.00 0.00 H new ATOM 0 HA ILE A 27 0.650 6.076 3.828 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.344 8.928 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.555 6.892 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.977 6.856 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.013 9.091 1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.514 8.749 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.663 7.444 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.608 8.149 2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.746 9.197 3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.318 9.233 2.195 1.00 0.00 H new ATOM 420 N LEU A 28 2.904 6.912 4.205 1.00 0.00 N ATOM 421 CA LEU A 28 4.275 7.307 4.439 1.00 0.00 C ATOM 422 C LEU A 28 4.809 8.136 3.280 1.00 0.00 C ATOM 423 O LEU A 28 5.662 8.996 3.469 1.00 0.00 O ATOM 424 CB LEU A 28 5.152 6.068 4.628 1.00 0.00 C ATOM 425 CG LEU A 28 6.164 6.170 5.762 1.00 0.00 C ATOM 426 CD1 LEU A 28 5.650 5.471 7.016 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.506 5.602 5.325 1.00 0.00 C ATOM 0 H LEU A 28 2.798 6.138 3.550 1.00 0.00 H new ATOM 0 HA LEU A 28 4.302 7.915 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.508 5.208 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.687 5.873 3.698 1.00 0.00 H new ATOM 0 HG LEU A 28 6.304 7.223 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.391 5.558 7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.718 5.937 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.473 4.418 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.219 5.682 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.385 4.554 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.876 6.163 4.467 1.00 0.00 H new ATOM 439 N LYS A 29 4.325 7.879 2.074 1.00 0.00 N ATOM 440 CA LYS A 29 4.794 8.625 0.909 1.00 0.00 C ATOM 441 C LYS A 29 3.634 8.987 -0.018 1.00 0.00 C ATOM 442 O LYS A 29 2.710 8.198 -0.201 1.00 0.00 O ATOM 443 CB LYS A 29 5.825 7.807 0.117 1.00 0.00 C ATOM 444 CG LYS A 29 6.861 7.114 0.983 1.00 0.00 C ATOM 445 CD LYS A 29 7.762 6.198 0.171 1.00 0.00 C ATOM 446 CE LYS A 29 8.814 5.550 1.055 1.00 0.00 C ATOM 447 NZ LYS A 29 9.554 4.459 0.366 1.00 0.00 N ATOM 0 H LYS A 29 3.618 7.171 1.874 1.00 0.00 H new ATOM 0 HA LYS A 29 5.258 9.540 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.301 7.057 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.336 8.467 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.469 7.863 1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.358 6.534 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.162 5.427 -0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.248 6.768 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.522 6.310 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.335 5.150 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.222 4.019 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.880 3.742 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.077 4.851 -0.443 1.00 0.00 H new ATOM 461 N ILE A 30 3.698 10.176 -0.602 1.00 0.00 N ATOM 462 CA ILE A 30 2.671 10.653 -1.532 1.00 0.00 C ATOM 463 C ILE A 30 3.197 10.576 -2.947 1.00 0.00 C ATOM 464 O ILE A 30 4.335 10.912 -3.188 1.00 0.00 O ATOM 465 CB ILE A 30 2.264 12.115 -1.218 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.822 12.240 0.233 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.162 12.582 -2.150 1.00 0.00 C ATOM 468 CD1 ILE A 30 0.829 11.186 0.635 1.00 0.00 C ATOM 0 H ILE A 30 4.458 10.838 -0.448 1.00 0.00 H new ATOM 0 HA ILE A 30 1.791 10.019 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 30 3.134 12.753 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.696 12.174 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.382 13.225 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.894 13.611 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.511 12.529 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.288 11.942 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.552 11.327 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.060 11.266 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.274 10.199 0.508 1.00 0.00 H new ATOM 480 N TRP A 31 2.385 10.142 -3.888 1.00 0.00 N ATOM 481 CA TRP A 31 2.850 10.020 -5.254 1.00 0.00 C ATOM 482 C TRP A 31 2.155 10.978 -6.203 1.00 0.00 C ATOM 483 O TRP A 31 0.927 10.969 -6.315 1.00 0.00 O ATOM 484 CB TRP A 31 2.628 8.620 -5.777 1.00 0.00 C ATOM 485 CG TRP A 31 3.004 8.514 -7.210 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.178 8.552 -8.286 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.314 8.417 -7.714 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.907 8.416 -9.443 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.227 8.336 -9.109 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.555 8.376 -7.109 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.341 8.208 -9.909 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.667 8.254 -7.900 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.554 8.171 -9.290 1.00 0.00 C ATOM 0 H TRP A 31 1.413 9.871 -3.736 1.00 0.00 H new ATOM 0 HA TRP A 31 3.912 10.262 -5.221 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.216 7.913 -5.191 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.581 8.344 -5.652 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.106 8.672 -8.240 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.526 8.381 -10.389 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.647 8.439 -6.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.256 8.140 -10.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.645 8.222 -7.442 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.449 8.075 -9.887 1.00 0.00 H new ATOM 504 N ASP A 32 2.962 11.741 -6.935 1.00 0.00 N ATOM 505 CA ASP A 32 2.461 12.693 -7.917 1.00 0.00 C ATOM 506 C ASP A 32 2.815 12.220 -9.332 1.00 0.00 C ATOM 507 O ASP A 32 3.984 12.241 -9.732 1.00 0.00 O ATOM 508 CB ASP A 32 3.042 14.085 -7.671 1.00 0.00 C ATOM 509 CG ASP A 32 2.624 15.067 -8.745 1.00 0.00 C ATOM 510 OD1 ASP A 32 3.484 15.480 -9.551 1.00 0.00 O ATOM 511 OD2 ASP A 32 1.426 15.425 -8.801 1.00 0.00 O ATOM 0 H ASP A 32 3.979 11.716 -6.863 1.00 0.00 H new ATOM 0 HA ASP A 32 1.377 12.751 -7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.713 14.449 -6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.130 14.024 -7.638 1.00 0.00 H new ATOM 516 N PRO A 33 1.801 11.805 -10.111 1.00 0.00 N ATOM 517 CA PRO A 33 1.984 11.296 -11.487 1.00 0.00 C ATOM 518 C PRO A 33 2.303 12.391 -12.503 1.00 0.00 C ATOM 519 O PRO A 33 2.466 12.126 -13.693 1.00 0.00 O ATOM 520 CB PRO A 33 0.623 10.678 -11.804 1.00 0.00 C ATOM 521 CG PRO A 33 -0.345 11.454 -10.981 1.00 0.00 C ATOM 522 CD PRO A 33 0.381 11.802 -9.709 1.00 0.00 C ATOM 0 HA PRO A 33 2.828 10.608 -11.548 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.391 10.755 -12.866 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.600 9.619 -11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.669 12.354 -11.504 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.239 10.867 -10.772 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.071 12.773 -9.323 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.188 11.071 -8.924 1.00 0.00 H new ATOM 530 N SER A 34 2.400 13.612 -12.026 1.00 0.00 N ATOM 531 CA SER A 34 2.676 14.751 -12.891 1.00 0.00 C ATOM 532 C SER A 34 4.177 14.988 -13.021 1.00 0.00 C ATOM 533 O SER A 34 4.643 15.600 -13.985 1.00 0.00 O ATOM 534 CB SER A 34 1.987 15.999 -12.343 1.00 0.00 C ATOM 535 OG SER A 34 0.933 15.645 -11.461 1.00 0.00 O ATOM 0 H SER A 34 2.292 13.848 -11.040 1.00 0.00 H new ATOM 0 HA SER A 34 2.283 14.533 -13.884 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.713 16.620 -11.819 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.594 16.594 -13.167 1.00 0.00 H new ATOM 0 HG SER A 34 1.290 15.526 -10.556 1.00 0.00 H new ATOM 541 N SER A 35 4.928 14.484 -12.059 1.00 0.00 N ATOM 542 CA SER A 35 6.372 14.647 -12.057 1.00 0.00 C ATOM 543 C SER A 35 7.053 13.284 -12.038 1.00 0.00 C ATOM 544 O SER A 35 8.177 13.131 -12.521 1.00 0.00 O ATOM 545 CB SER A 35 6.792 15.472 -10.837 1.00 0.00 C ATOM 546 OG SER A 35 5.805 16.447 -10.519 1.00 0.00 O ATOM 0 H SER A 35 4.562 13.957 -11.266 1.00 0.00 H new ATOM 0 HA SER A 35 6.677 15.172 -12.962 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.946 14.813 -9.983 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.744 15.964 -11.036 1.00 0.00 H new ATOM 0 HG SER A 35 5.100 16.034 -9.978 1.00 0.00 H new ATOM 552 N LYS A 36 6.356 12.316 -11.442 1.00 0.00 N ATOM 553 CA LYS A 36 6.819 10.946 -11.308 1.00 0.00 C ATOM 554 C LYS A 36 7.809 10.898 -10.177 1.00 0.00 C ATOM 555 O LYS A 36 8.811 10.180 -10.180 1.00 0.00 O ATOM 556 CB LYS A 36 7.396 10.341 -12.577 1.00 0.00 C ATOM 557 CG LYS A 36 7.400 8.831 -12.484 1.00 0.00 C ATOM 558 CD LYS A 36 8.342 8.166 -13.473 1.00 0.00 C ATOM 559 CE LYS A 36 8.300 6.653 -13.322 1.00 0.00 C ATOM 560 NZ LYS A 36 9.399 5.971 -14.060 1.00 0.00 N ATOM 0 H LYS A 36 5.435 12.472 -11.032 1.00 0.00 H new ATOM 0 HA LYS A 36 5.949 10.325 -11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.808 10.658 -13.439 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.411 10.705 -12.733 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.682 8.538 -11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.388 8.462 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.064 8.443 -14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.359 8.524 -13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.364 6.396 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.341 6.282 -13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.323 4.943 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.326 6.192 -15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.317 6.301 -13.699 1.00 0.00 H new ATOM 574 N MET A 37 7.484 11.717 -9.223 1.00 0.00 N ATOM 575 CA MET A 37 8.190 11.862 -8.013 1.00 0.00 C ATOM 576 C MET A 37 7.178 11.569 -6.933 1.00 0.00 C ATOM 577 O MET A 37 5.975 11.520 -7.201 1.00 0.00 O ATOM 578 CB MET A 37 8.725 13.288 -7.890 1.00 0.00 C ATOM 579 CG MET A 37 9.760 13.645 -8.943 1.00 0.00 C ATOM 580 SD MET A 37 9.967 15.426 -9.150 1.00 0.00 S ATOM 581 CE MET A 37 11.518 15.487 -10.050 1.00 0.00 C ATOM 0 H MET A 37 6.671 12.331 -9.284 1.00 0.00 H new ATOM 0 HA MET A 37 9.050 11.196 -7.947 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.891 13.987 -7.961 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.166 13.417 -6.902 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.718 13.203 -8.668 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.467 13.205 -9.896 1.00 0.00 H new ATOM 0 HE1 MET A 37 11.780 16.525 -10.253 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.304 15.024 -9.453 1.00 0.00 H new ATOM 0 HE3 MET A 37 11.413 14.949 -10.992 1.00 0.00 H new ATOM 591 N TYR A 38 7.632 11.411 -5.735 1.00 0.00 N ATOM 592 CA TYR A 38 6.764 11.099 -4.642 1.00 0.00 C ATOM 593 C TYR A 38 7.304 11.812 -3.425 1.00 0.00 C ATOM 594 O TYR A 38 8.495 12.146 -3.385 1.00 0.00 O ATOM 595 CB TYR A 38 6.696 9.584 -4.406 1.00 0.00 C ATOM 596 CG TYR A 38 8.012 8.934 -4.058 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.322 8.623 -2.744 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.936 8.620 -5.045 1.00 0.00 C ATOM 599 CE1 TYR A 38 9.516 8.015 -2.419 1.00 0.00 C ATOM 600 CE2 TYR A 38 10.135 8.014 -4.729 1.00 0.00 C ATOM 601 CZ TYR A 38 10.419 7.713 -3.414 1.00 0.00 C ATOM 602 OH TYR A 38 11.602 7.096 -3.090 1.00 0.00 O ATOM 0 H TYR A 38 8.617 11.494 -5.482 1.00 0.00 H new ATOM 0 HA TYR A 38 5.747 11.427 -4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.987 9.388 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.299 9.109 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.617 8.861 -1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.713 8.853 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.742 7.777 -1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.846 7.777 -5.507 1.00 0.00 H new ATOM 0 HH TYR A 38 11.415 6.253 -2.627 1.00 0.00 H new ATOM 612 N THR A 39 6.472 12.076 -2.452 1.00 0.00 N ATOM 613 CA THR A 39 6.944 12.744 -1.273 1.00 0.00 C ATOM 614 C THR A 39 6.855 11.801 -0.085 1.00 0.00 C ATOM 615 O THR A 39 5.781 11.461 0.399 1.00 0.00 O ATOM 616 CB THR A 39 6.206 14.068 -1.027 1.00 0.00 C ATOM 617 OG1 THR A 39 4.872 13.844 -0.557 1.00 0.00 O ATOM 618 CG2 THR A 39 6.145 14.898 -2.301 1.00 0.00 C ATOM 0 H THR A 39 5.479 11.842 -2.453 1.00 0.00 H new ATOM 0 HA THR A 39 7.990 13.014 -1.418 1.00 0.00 H new ATOM 0 HB THR A 39 6.766 14.608 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.813 12.954 -0.151 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.618 15.831 -2.102 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.157 15.118 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.616 14.340 -3.074 1.00 0.00 H new ATOM 626 N SER A 40 8.014 11.367 0.350 1.00 0.00 N ATOM 627 CA SER A 40 8.130 10.410 1.435 1.00 0.00 C ATOM 628 C SER A 40 8.282 11.103 2.777 1.00 0.00 C ATOM 629 O SER A 40 8.508 12.304 2.856 1.00 0.00 O ATOM 630 CB SER A 40 9.348 9.505 1.178 1.00 0.00 C ATOM 631 OG SER A 40 9.474 8.498 2.168 1.00 0.00 O ATOM 0 H SER A 40 8.909 11.666 -0.037 1.00 0.00 H new ATOM 0 HA SER A 40 7.217 9.816 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.255 9.040 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.254 10.111 1.159 1.00 0.00 H new ATOM 0 HG SER A 40 10.383 8.132 2.149 1.00 0.00 H new ATOM 637 N ILE A 41 8.084 10.349 3.832 1.00 0.00 N ATOM 638 CA ILE A 41 8.274 10.859 5.164 1.00 0.00 C ATOM 639 C ILE A 41 9.115 9.862 5.945 1.00 0.00 C ATOM 640 O ILE A 41 9.026 8.655 5.695 1.00 0.00 O ATOM 641 CB ILE A 41 6.943 11.111 5.916 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.269 9.797 6.313 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.002 11.956 5.082 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.530 9.866 7.636 1.00 0.00 C ATOM 0 H ILE A 41 7.789 9.373 3.790 1.00 0.00 H new ATOM 0 HA ILE A 41 8.773 11.825 5.080 1.00 0.00 H new ATOM 0 HB ILE A 41 7.182 11.657 6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.568 9.507 5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.025 9.014 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.075 12.119 5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.470 12.917 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.783 11.441 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.078 8.898 7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.230 10.124 8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.750 10.626 7.578 1.00 0.00 H new ATOM 846 N ILE A 56 12.223 16.300 2.630 1.00 0.00 N ATOM 847 CA ILE A 56 11.756 15.385 1.605 1.00 0.00 C ATOM 848 C ILE A 56 11.171 16.140 0.432 1.00 0.00 C ATOM 849 O ILE A 56 9.992 16.498 0.420 1.00 0.00 O ATOM 850 CB ILE A 56 10.707 14.404 2.128 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.174 13.748 3.436 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.441 13.358 1.055 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.408 12.881 3.286 1.00 0.00 C ATOM 0 HA ILE A 56 12.630 14.817 1.287 1.00 0.00 H new ATOM 0 HB ILE A 56 9.784 14.939 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.378 14.529 4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.362 13.140 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.694 12.650 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.073 13.847 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.365 12.826 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.673 12.455 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.204 12.077 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.236 13.487 2.918 1.00 0.00 H new ATOM 865 N LYS A 57 12.013 16.401 -0.540 1.00 0.00 N ATOM 866 CA LYS A 57 11.596 17.077 -1.747 1.00 0.00 C ATOM 867 C LYS A 57 11.043 16.025 -2.697 1.00 0.00 C ATOM 868 O LYS A 57 11.409 14.855 -2.580 1.00 0.00 O ATOM 869 CB LYS A 57 12.787 17.812 -2.372 1.00 0.00 C ATOM 870 CG LYS A 57 13.926 16.890 -2.786 1.00 0.00 C ATOM 871 CD LYS A 57 15.280 17.571 -2.661 1.00 0.00 C ATOM 872 CE LYS A 57 15.611 17.885 -1.207 1.00 0.00 C ATOM 873 NZ LYS A 57 17.063 18.126 -1.001 1.00 0.00 N ATOM 0 H LYS A 57 13.002 16.152 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 57 10.828 17.820 -1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.443 18.365 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.165 18.545 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.912 15.994 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.776 16.567 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.053 16.928 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.281 18.492 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.050 18.764 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.289 17.057 -0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.241 18.336 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.598 17.278 -1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.367 18.933 -1.583 1.00 0.00 H new ATOM 887 N PRO A 58 10.129 16.395 -3.603 1.00 0.00 N ATOM 888 CA PRO A 58 9.560 15.454 -4.568 1.00 0.00 C ATOM 889 C PRO A 58 10.663 14.733 -5.337 1.00 0.00 C ATOM 890 O PRO A 58 11.310 15.306 -6.211 1.00 0.00 O ATOM 891 CB PRO A 58 8.713 16.333 -5.497 1.00 0.00 C ATOM 892 CG PRO A 58 9.101 17.740 -5.179 1.00 0.00 C ATOM 893 CD PRO A 58 9.567 17.738 -3.753 1.00 0.00 C ATOM 0 HA PRO A 58 8.970 14.670 -4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.908 16.099 -6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.648 16.172 -5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.891 18.085 -5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.256 18.415 -5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.312 18.512 -3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.746 17.914 -3.058 1.00 0.00 H new ATOM 901 N GLN A 59 10.887 13.477 -4.982 1.00 0.00 N ATOM 902 CA GLN A 59 11.933 12.685 -5.611 1.00 0.00 C ATOM 903 C GLN A 59 11.341 11.623 -6.520 1.00 0.00 C ATOM 904 O GLN A 59 10.344 10.994 -6.184 1.00 0.00 O ATOM 905 CB GLN A 59 12.826 12.048 -4.547 1.00 0.00 C ATOM 906 CG GLN A 59 13.759 13.040 -3.870 1.00 0.00 C ATOM 907 CD GLN A 59 14.367 12.515 -2.581 1.00 0.00 C ATOM 908 OE1 GLN A 59 13.625 11.684 -1.866 1.00 0.00 O flip ATOM 909 NE2 GLN A 59 15.493 12.862 -2.229 1.00 0.00 N flip ATOM 0 H GLN A 59 10.359 12.984 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 59 12.541 13.349 -6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 59 12.198 11.577 -3.791 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.419 11.258 -5.007 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.561 13.302 -4.560 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.209 13.957 -3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.033 13.504 -2.809 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.887 12.507 -1.358 1.00 0.00 H new ATOM 918 N LYS A 60 11.958 11.456 -7.677 1.00 0.00 N ATOM 919 CA LYS A 60 11.528 10.498 -8.669 1.00 0.00 C ATOM 920 C LYS A 60 11.746 9.083 -8.171 1.00 0.00 C ATOM 921 O LYS A 60 12.679 8.813 -7.416 1.00 0.00 O ATOM 922 CB LYS A 60 12.292 10.734 -9.977 1.00 0.00 C ATOM 923 CG LYS A 60 11.931 9.761 -11.091 1.00 0.00 C ATOM 924 CD LYS A 60 12.345 10.290 -12.449 1.00 0.00 C ATOM 925 CE LYS A 60 11.498 11.481 -12.855 1.00 0.00 C ATOM 926 NZ LYS A 60 11.923 12.057 -14.157 1.00 0.00 N ATOM 0 H LYS A 60 12.782 11.991 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 60 10.462 10.630 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.099 11.750 -10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.361 10.662 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.417 8.803 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.856 9.580 -11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.396 10.579 -12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.249 9.501 -13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.453 11.176 -12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.560 12.248 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.316 12.868 -14.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.912 12.373 -14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.839 11.334 -14.900 1.00 0.00 H new ATOM 940 N LEU A 61 10.862 8.200 -8.587 1.00 0.00 N ATOM 941 CA LEU A 61 10.919 6.807 -8.198 1.00 0.00 C ATOM 942 C LEU A 61 12.263 6.171 -8.481 1.00 0.00 C ATOM 943 O LEU A 61 12.694 6.089 -9.633 1.00 0.00 O ATOM 944 CB LEU A 61 9.866 6.020 -8.948 1.00 0.00 C ATOM 945 CG LEU A 61 8.518 5.952 -8.274 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.649 4.931 -8.976 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.683 5.627 -6.802 1.00 0.00 C ATOM 0 H LEU A 61 10.083 8.428 -9.205 1.00 0.00 H new ATOM 0 HA LEU A 61 10.746 6.782 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.739 6.462 -9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.232 5.004 -9.098 1.00 0.00 H new ATOM 0 HG LEU A 61 8.026 6.922 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.676 4.884 -8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.518 5.220 -10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.127 3.952 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.703 5.581 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.183 4.664 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.282 6.402 -6.323 1.00 0.00 H new ATOM 959 N GLY A 62 12.932 5.756 -7.422 1.00 0.00 N ATOM 960 CA GLY A 62 14.180 5.050 -7.578 1.00 0.00 C ATOM 961 C GLY A 62 13.926 3.671 -8.160 1.00 0.00 C ATOM 962 O GLY A 62 12.774 3.263 -8.326 1.00 0.00 O ATOM 0 H GLY A 62 12.633 5.895 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.847 5.613 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.680 4.961 -6.614 1.00 0.00 H new ATOM 966 N GLU A 63 14.980 2.931 -8.421 1.00 0.00 N ATOM 967 CA GLU A 63 14.862 1.598 -9.011 1.00 0.00 C ATOM 968 C GLU A 63 14.469 0.567 -7.966 1.00 0.00 C ATOM 969 O GLU A 63 14.438 -0.635 -8.228 1.00 0.00 O ATOM 970 CB GLU A 63 16.190 1.223 -9.651 1.00 0.00 C ATOM 971 CG GLU A 63 16.827 2.395 -10.362 1.00 0.00 C ATOM 972 CD GLU A 63 18.331 2.427 -10.221 1.00 0.00 C ATOM 973 OE1 GLU A 63 18.824 3.000 -9.227 1.00 0.00 O ATOM 974 OE2 GLU A 63 19.026 1.897 -11.112 1.00 0.00 O ATOM 0 H GLU A 63 15.939 3.224 -8.236 1.00 0.00 H new ATOM 0 HA GLU A 63 14.077 1.613 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.870 0.851 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.034 0.410 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.568 2.355 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.411 3.322 -9.967 1.00 0.00 H new ATOM 981 N ASP A 64 14.172 1.056 -6.780 1.00 0.00 N ATOM 982 CA ASP A 64 13.794 0.199 -5.669 1.00 0.00 C ATOM 983 C ASP A 64 12.442 0.616 -5.106 1.00 0.00 C ATOM 984 O ASP A 64 12.018 0.118 -4.062 1.00 0.00 O ATOM 985 CB ASP A 64 14.854 0.275 -4.563 1.00 0.00 C ATOM 986 CG ASP A 64 16.243 -0.110 -5.040 1.00 0.00 C ATOM 987 OD1 ASP A 64 17.021 0.795 -5.422 1.00 0.00 O ATOM 988 OD2 ASP A 64 16.565 -1.318 -5.032 1.00 0.00 O ATOM 0 H ASP A 64 14.185 2.051 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 64 13.723 -0.825 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.882 1.289 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.563 -0.382 -3.744 1.00 0.00 H new ATOM 993 N GLU A 65 11.760 1.518 -5.810 1.00 0.00 N ATOM 994 CA GLU A 65 10.478 2.043 -5.345 1.00 0.00 C ATOM 995 C GLU A 65 9.382 1.892 -6.401 1.00 0.00 C ATOM 996 O GLU A 65 8.331 2.523 -6.312 1.00 0.00 O ATOM 997 CB GLU A 65 10.680 3.511 -5.017 1.00 0.00 C ATOM 998 CG GLU A 65 11.569 3.753 -3.804 1.00 0.00 C ATOM 999 CD GLU A 65 10.801 3.786 -2.495 1.00 0.00 C ATOM 1000 OE1 GLU A 65 10.366 4.883 -2.085 1.00 0.00 O ATOM 1001 OE2 GLU A 65 10.648 2.725 -1.861 1.00 0.00 O ATOM 0 H GLU A 65 12.073 1.900 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 65 10.153 1.480 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.117 4.010 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.708 3.972 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.325 2.970 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.097 4.698 -3.932 1.00 0.00 H new ATOM 1008 N SER A 66 9.665 1.057 -7.388 1.00 0.00 N ATOM 1009 CA SER A 66 8.764 0.762 -8.512 1.00 0.00 C ATOM 1010 C SER A 66 7.271 0.714 -8.124 1.00 0.00 C ATOM 1011 O SER A 66 6.862 -0.048 -7.245 1.00 0.00 O ATOM 1012 CB SER A 66 9.180 -0.574 -9.125 1.00 0.00 C ATOM 1013 OG SER A 66 10.489 -0.929 -8.706 1.00 0.00 O ATOM 0 H SER A 66 10.548 0.548 -7.439 1.00 0.00 H new ATOM 0 HA SER A 66 8.860 1.581 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.475 -1.351 -8.830 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.146 -0.508 -10.212 1.00 0.00 H new ATOM 0 HG SER A 66 10.739 -1.788 -9.106 1.00 0.00 H new ATOM 1019 N ILE A 67 6.476 1.532 -8.815 1.00 0.00 N ATOM 1020 CA ILE A 67 5.032 1.625 -8.586 1.00 0.00 C ATOM 1021 C ILE A 67 4.249 1.023 -9.751 1.00 0.00 C ATOM 1022 O ILE A 67 4.645 1.187 -10.910 1.00 0.00 O ATOM 1023 CB ILE A 67 4.600 3.102 -8.446 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.175 3.701 -7.173 1.00 0.00 C ATOM 1025 CG2 ILE A 67 3.083 3.264 -8.467 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.819 5.151 -6.988 1.00 0.00 C ATOM 0 H ILE A 67 6.815 2.151 -9.551 1.00 0.00 H new ATOM 0 HA ILE A 67 4.818 1.074 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 67 4.996 3.638 -9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.814 3.132 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.260 3.599 -7.189 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.828 4.319 -8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.690 2.885 -9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.646 2.704 -7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.260 5.518 -6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.204 5.730 -7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.735 5.256 -6.941 1.00 0.00 H new ATOM 1038 N PRO A 68 3.153 0.290 -9.462 1.00 0.00 N ATOM 1039 CA PRO A 68 2.289 -0.274 -10.501 1.00 0.00 C ATOM 1040 C PRO A 68 1.875 0.796 -11.511 1.00 0.00 C ATOM 1041 O PRO A 68 1.328 1.836 -11.129 1.00 0.00 O ATOM 1042 CB PRO A 68 1.077 -0.772 -9.714 1.00 0.00 C ATOM 1043 CG PRO A 68 1.610 -1.083 -8.360 1.00 0.00 C ATOM 1044 CD PRO A 68 2.704 -0.085 -8.108 1.00 0.00 C ATOM 0 HA PRO A 68 2.777 -1.057 -11.082 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.296 -0.013 -9.668 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.638 -1.654 -10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.828 -1.004 -7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.994 -2.102 -8.316 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.338 0.779 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.515 -0.519 -7.523 1.00 0.00 H new ATOM 1052 N GLU A 69 2.123 0.531 -12.792 1.00 0.00 N ATOM 1053 CA GLU A 69 1.812 1.484 -13.865 1.00 0.00 C ATOM 1054 C GLU A 69 0.337 1.895 -13.879 1.00 0.00 C ATOM 1055 O GLU A 69 -0.017 2.949 -14.410 1.00 0.00 O ATOM 1056 CB GLU A 69 2.204 0.899 -15.224 1.00 0.00 C ATOM 1057 CG GLU A 69 3.706 0.749 -15.405 1.00 0.00 C ATOM 1058 CD GLU A 69 4.076 0.116 -16.728 1.00 0.00 C ATOM 1059 OE1 GLU A 69 5.017 0.612 -17.384 1.00 0.00 O ATOM 1060 OE2 GLU A 69 3.439 -0.887 -17.114 1.00 0.00 O ATOM 0 H GLU A 69 2.541 -0.341 -13.117 1.00 0.00 H new ATOM 0 HA GLU A 69 2.396 2.383 -13.669 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.732 -0.076 -15.341 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.812 1.540 -16.014 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.176 1.730 -15.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.107 0.143 -14.593 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.518 1.078 -13.284 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.945 1.370 -13.248 1.00 0.00 C ATOM 1069 C GLU A 70 -2.282 2.468 -12.237 1.00 0.00 C ATOM 1070 O GLU A 70 -3.265 3.188 -12.407 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.738 0.103 -12.930 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.414 -0.503 -11.573 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.375 -1.608 -11.187 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -3.190 -2.214 -10.114 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -4.315 -1.883 -11.960 1.00 0.00 O ATOM 0 H GLU A 70 -0.251 0.210 -12.820 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.226 1.735 -14.236 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.803 0.333 -12.969 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.544 -0.639 -13.704 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.398 -0.898 -11.588 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.440 0.279 -10.814 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.461 2.625 -11.205 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.734 3.634 -10.188 1.00 0.00 C ATOM 1084 C ILE A 71 -0.745 4.791 -10.287 1.00 0.00 C ATOM 1085 O ILE A 71 -1.016 5.894 -9.817 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.698 3.024 -8.766 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.276 2.620 -8.379 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.624 1.818 -8.694 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.148 2.149 -6.947 1.00 0.00 C ATOM 0 H ILE A 71 -0.615 2.077 -11.051 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.738 4.017 -10.371 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.040 3.781 -8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.061 1.826 -9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.389 3.470 -8.534 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.593 1.395 -7.690 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.643 2.127 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.300 1.067 -9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.888 1.879 -6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.454 2.949 -6.272 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.786 1.279 -6.792 1.00 0.00 H new ATOM 1101 N ILE A 72 0.381 4.533 -10.942 1.00 0.00 N ATOM 1102 CA ILE A 72 1.449 5.519 -11.130 1.00 0.00 C ATOM 1103 C ILE A 72 0.956 6.766 -11.848 1.00 0.00 C ATOM 1104 O ILE A 72 1.567 7.830 -11.769 1.00 0.00 O ATOM 1105 CB ILE A 72 2.593 4.877 -11.935 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.953 5.499 -11.571 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.328 4.951 -13.441 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.462 6.525 -12.568 1.00 0.00 C ATOM 0 H ILE A 72 0.584 3.626 -11.363 1.00 0.00 H new ATOM 0 HA ILE A 72 1.801 5.826 -10.145 1.00 0.00 H new ATOM 0 HB ILE A 72 2.633 3.822 -11.663 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.872 5.971 -10.592 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.691 4.702 -11.480 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.155 4.489 -13.979 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.403 4.423 -13.674 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.236 5.994 -13.743 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.425 6.911 -12.233 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.579 6.056 -13.545 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.748 7.345 -12.643 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.160 6.638 -12.532 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.715 7.746 -13.267 1.00 0.00 C ATOM 1122 C ASN A 73 -2.037 8.171 -12.652 1.00 0.00 C ATOM 1123 O ASN A 73 -2.847 8.842 -13.293 1.00 0.00 O ATOM 1124 CB ASN A 73 -0.899 7.345 -14.727 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.369 8.388 -15.686 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -0.532 9.589 -15.476 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.288 7.933 -16.741 1.00 0.00 N ATOM 0 H ASN A 73 -0.700 5.775 -12.593 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.032 8.594 -13.219 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.390 6.398 -14.907 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.958 7.180 -14.924 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.682 8.587 -17.418 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.400 6.928 -16.878 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.260 7.756 -11.410 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.502 8.118 -10.729 1.00 0.00 C ATOM 1136 C GLY A 74 -3.297 8.584 -9.301 1.00 0.00 C ATOM 1137 O GLY A 74 -4.230 8.528 -8.503 1.00 0.00 O ATOM 0 H GLY A 74 -1.617 7.183 -10.864 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.999 8.908 -11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.171 7.257 -10.729 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.094 9.084 -9.005 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.733 9.551 -7.659 1.00 0.00 C ATOM 1143 C LYS A 75 -1.784 8.394 -6.668 1.00 0.00 C ATOM 1144 O LYS A 75 -2.847 7.846 -6.376 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.627 10.708 -7.195 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.261 11.242 -5.820 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.911 12.724 -5.861 1.00 0.00 C ATOM 1148 CE LYS A 75 -3.085 13.575 -6.333 1.00 0.00 C ATOM 1149 NZ LYS A 75 -2.832 15.033 -6.147 1.00 0.00 N ATOM 0 H LYS A 75 -1.343 9.177 -9.689 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.713 9.933 -7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.563 11.519 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.664 10.373 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.095 11.085 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.415 10.680 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.602 13.051 -4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.061 12.878 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.278 13.373 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.982 13.290 -5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.655 15.574 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.673 15.232 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.991 15.312 -6.692 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.638 8.043 -6.128 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.574 6.919 -5.209 1.00 0.00 C ATOM 1165 C CYS A 76 -0.106 7.358 -3.841 1.00 0.00 C ATOM 1166 O CYS A 76 0.332 8.491 -3.651 1.00 0.00 O ATOM 1167 CB CYS A 76 0.361 5.825 -5.732 1.00 0.00 C ATOM 1168 SG CYS A 76 0.648 5.861 -7.510 1.00 0.00 S ATOM 0 H CYS A 76 0.252 8.509 -6.303 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.584 6.516 -5.130 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.320 5.912 -5.222 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.055 4.853 -5.465 1.00 0.00 H new ATOM 0 HG CYS A 76 1.481 6.817 -7.796 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.221 6.458 -2.889 1.00 0.00 N ATOM 1175 CA PHE A 77 0.195 6.712 -1.532 1.00 0.00 C ATOM 1176 C PHE A 77 0.886 5.487 -0.980 1.00 0.00 C ATOM 1177 O PHE A 77 0.296 4.407 -0.917 1.00 0.00 O ATOM 1178 CB PHE A 77 -1.010 7.075 -0.668 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.780 8.243 -1.199 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -1.192 9.493 -1.281 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -3.085 8.090 -1.619 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.892 10.570 -1.776 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.794 9.164 -2.110 1.00 0.00 C ATOM 1184 CZ PHE A 77 -3.198 10.407 -2.191 1.00 0.00 C ATOM 0 H PHE A 77 -0.608 5.526 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 77 0.890 7.551 -1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.672 6.212 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.671 7.300 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.172 9.625 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.555 7.119 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.421 11.540 -1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.817 9.034 -2.432 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.752 11.249 -2.578 1.00 0.00 H new ATOM 1194 N PHE A 78 2.144 5.642 -0.617 1.00 0.00 N ATOM 1195 CA PHE A 78 2.903 4.539 -0.067 1.00 0.00 C ATOM 1196 C PHE A 78 2.588 4.438 1.403 1.00 0.00 C ATOM 1197 O PHE A 78 3.129 5.181 2.217 1.00 0.00 O ATOM 1198 CB PHE A 78 4.402 4.733 -0.283 1.00 0.00 C ATOM 1199 CG PHE A 78 5.243 3.571 0.171 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.432 2.473 -0.651 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.860 3.588 1.414 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.217 1.414 -0.247 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.644 2.529 1.826 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.824 1.442 0.993 1.00 0.00 C ATOM 0 H PHE A 78 2.660 6.519 -0.693 1.00 0.00 H new ATOM 0 HA PHE A 78 2.624 3.617 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.586 4.909 -1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.722 5.629 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.958 2.446 -1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.725 4.439 2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.357 0.564 -0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.116 2.550 2.797 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.440 0.614 1.312 1.00 0.00 H new ATOM 1214 N ILE A 79 1.691 3.544 1.732 1.00 0.00 N ATOM 1215 CA ILE A 79 1.279 3.362 3.101 1.00 0.00 C ATOM 1216 C ILE A 79 1.957 2.181 3.723 1.00 0.00 C ATOM 1217 O ILE A 79 2.639 1.394 3.071 1.00 0.00 O ATOM 1218 CB ILE A 79 -0.240 3.124 3.235 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.576 1.661 2.897 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -1.029 4.091 2.369 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -0.849 1.404 1.432 1.00 0.00 C ATOM 0 H ILE A 79 1.229 2.926 1.065 1.00 0.00 H new ATOM 0 HA ILE A 79 1.557 4.286 3.608 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.531 3.313 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.252 1.028 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.449 1.359 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.095 3.897 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.810 5.114 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.748 3.956 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.077 0.348 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.697 2.007 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.030 1.671 0.846 1.00 0.00 H new ATOM 1233 N HIS A 80 1.732 2.085 4.995 1.00 0.00 N ATOM 1234 CA HIS A 80 2.222 1.016 5.793 1.00 0.00 C ATOM 1235 C HIS A 80 1.011 0.460 6.522 1.00 0.00 C ATOM 1236 O HIS A 80 0.420 1.153 7.356 1.00 0.00 O ATOM 1237 CB HIS A 80 3.291 1.563 6.733 1.00 0.00 C ATOM 1238 CG HIS A 80 3.423 0.830 8.021 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.186 -0.300 8.178 1.00 0.00 N ATOM 1240 CD2 HIS A 80 2.867 1.083 9.211 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.089 -0.719 9.425 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.289 0.106 10.081 1.00 0.00 N ATOM 0 H HIS A 80 1.186 2.770 5.518 1.00 0.00 H new ATOM 0 HA HIS A 80 2.694 0.218 5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.252 1.542 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.067 2.608 6.947 1.00 0.00 H new ATOM 0 HD1 HIS A 80 4.740 -0.745 7.446 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.207 1.905 9.445 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.579 -1.587 9.840 1.00 0.00 H new ATOM 1251 N TYR A 81 0.591 -0.742 6.146 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.580 -1.364 6.748 1.00 0.00 C ATOM 1253 C TYR A 81 -0.467 -1.381 8.268 1.00 0.00 C ATOM 1254 O TYR A 81 0.355 -2.096 8.848 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.795 -2.768 6.183 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.207 -2.768 4.722 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -2.156 -1.869 4.244 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -0.642 -3.658 3.819 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -2.526 -1.862 2.912 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -1.009 -3.659 2.486 1.00 0.00 C ATOM 1261 CZ TYR A 81 -1.948 -2.759 2.037 1.00 0.00 C ATOM 1262 OH TYR A 81 -2.306 -2.747 0.706 1.00 0.00 O ATOM 0 H TYR A 81 1.045 -1.305 5.427 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.456 -0.767 6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.125 -3.342 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.561 -3.275 6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.611 -1.165 4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.099 -4.364 4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.264 -1.158 2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.561 -4.363 1.800 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.806 -3.441 0.227 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.297 -0.554 8.885 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.333 -0.387 10.329 1.00 0.00 C ATOM 1274 C GLN A 82 -1.622 -1.699 11.058 1.00 0.00 C ATOM 1275 O GLN A 82 -2.686 -2.297 10.888 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.398 0.647 10.694 1.00 0.00 C ATOM 1277 CG GLN A 82 -2.169 1.304 12.041 1.00 0.00 C ATOM 1278 CD GLN A 82 -1.329 2.558 11.941 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -0.103 2.507 11.995 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -1.987 3.698 11.823 1.00 0.00 N ATOM 0 H GLN A 82 -1.973 0.027 8.390 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.347 -0.047 10.647 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.424 1.417 9.923 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.375 0.165 10.696 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.132 1.551 12.489 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.679 0.595 12.708 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.006 3.697 11.782 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.476 4.579 11.773 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.663 -2.144 11.863 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.847 -3.362 12.632 1.00 0.00 C ATOM 1291 C GLY A 83 -0.398 -4.612 11.903 1.00 0.00 C ATOM 1292 O GLY A 83 -0.510 -5.713 12.439 1.00 0.00 O ATOM 0 H GLY A 83 0.237 -1.684 11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.294 -3.278 13.568 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.901 -3.462 12.893 1.00 0.00 H new ATOM 1296 N TRP A 84 0.101 -4.456 10.686 1.00 0.00 N ATOM 1297 CA TRP A 84 0.562 -5.603 9.915 1.00 0.00 C ATOM 1298 C TRP A 84 2.070 -5.792 10.063 1.00 0.00 C ATOM 1299 O TRP A 84 2.522 -6.578 10.897 1.00 0.00 O ATOM 1300 CB TRP A 84 0.180 -5.459 8.439 1.00 0.00 C ATOM 1301 CG TRP A 84 -1.132 -6.101 8.097 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -2.236 -5.492 7.576 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -1.474 -7.483 8.254 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -3.243 -6.411 7.398 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -2.799 -7.640 7.811 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -0.787 -8.600 8.731 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -3.450 -8.873 7.825 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -1.433 -9.821 8.747 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -2.753 -9.948 8.299 1.00 0.00 C ATOM 0 H TRP A 84 0.197 -3.557 10.214 1.00 0.00 H new ATOM 0 HA TRP A 84 0.068 -6.490 10.311 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.135 -4.400 8.185 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.964 -5.901 7.824 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.308 -4.441 7.338 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.169 -6.211 7.020 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.231 -8.512 9.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.467 -8.974 7.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.910 -10.693 9.112 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.230 -10.916 8.329 1.00 0.00 H new ATOM 1320 N LYS A 85 2.842 -5.063 9.257 1.00 0.00 N ATOM 1321 CA LYS A 85 4.300 -5.146 9.286 1.00 0.00 C ATOM 1322 C LYS A 85 4.895 -4.149 8.302 1.00 0.00 C ATOM 1323 O LYS A 85 4.188 -3.629 7.438 1.00 0.00 O ATOM 1324 CB LYS A 85 4.760 -6.564 8.918 1.00 0.00 C ATOM 1325 CG LYS A 85 6.066 -6.983 9.574 1.00 0.00 C ATOM 1326 CD LYS A 85 5.927 -7.042 11.086 1.00 0.00 C ATOM 1327 CE LYS A 85 7.149 -7.669 11.735 1.00 0.00 C ATOM 1328 NZ LYS A 85 6.966 -7.855 13.198 1.00 0.00 N ATOM 0 H LYS A 85 2.476 -4.403 8.571 1.00 0.00 H new ATOM 0 HA LYS A 85 4.642 -4.911 10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.981 -7.272 9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.872 -6.628 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.369 -7.959 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.853 -6.278 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.782 -6.035 11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.039 -7.617 11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.353 -8.633 11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.019 -7.038 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.822 -8.285 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.797 -6.932 13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.151 -8.478 13.369 1.00 0.00 H new ATOM 1342 N SER A 86 6.185 -3.881 8.434 1.00 0.00 N ATOM 1343 CA SER A 86 6.874 -2.967 7.538 1.00 0.00 C ATOM 1344 C SER A 86 6.999 -3.597 6.147 1.00 0.00 C ATOM 1345 O SER A 86 7.199 -2.912 5.148 1.00 0.00 O ATOM 1346 CB SER A 86 8.250 -2.642 8.112 1.00 0.00 C ATOM 1347 OG SER A 86 8.320 -3.019 9.481 1.00 0.00 O ATOM 0 H SER A 86 6.778 -4.287 9.158 1.00 0.00 H new ATOM 0 HA SER A 86 6.305 -2.042 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.020 -3.165 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.450 -1.575 8.012 1.00 0.00 H new ATOM 0 HG SER A 86 9.209 -2.806 9.834 1.00 0.00 H new ATOM 1353 N SER A 87 6.864 -4.917 6.099 1.00 0.00 N ATOM 1354 CA SER A 87 6.935 -5.651 4.845 1.00 0.00 C ATOM 1355 C SER A 87 5.617 -5.525 4.084 1.00 0.00 C ATOM 1356 O SER A 87 5.501 -5.959 2.937 1.00 0.00 O ATOM 1357 CB SER A 87 7.243 -7.121 5.129 1.00 0.00 C ATOM 1358 OG SER A 87 7.861 -7.265 6.398 1.00 0.00 O ATOM 0 H SER A 87 6.704 -5.502 6.919 1.00 0.00 H new ATOM 0 HA SER A 87 7.731 -5.231 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.322 -7.704 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.897 -7.518 4.353 1.00 0.00 H new ATOM 0 HG SER A 87 8.050 -8.212 6.564 1.00 0.00 H new ATOM 1364 N TRP A 88 4.630 -4.928 4.741 1.00 0.00 N ATOM 1365 CA TRP A 88 3.320 -4.730 4.145 1.00 0.00 C ATOM 1366 C TRP A 88 3.213 -3.330 3.550 1.00 0.00 C ATOM 1367 O TRP A 88 2.165 -2.940 3.047 1.00 0.00 O ATOM 1368 CB TRP A 88 2.220 -4.947 5.182 1.00 0.00 C ATOM 1369 CG TRP A 88 1.910 -6.388 5.448 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.470 -7.177 6.402 1.00 0.00 C ATOM 1371 CD2 TRP A 88 0.957 -7.204 4.760 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.924 -8.435 6.359 1.00 0.00 N ATOM 1373 CE2 TRP A 88 0.991 -8.480 5.358 1.00 0.00 C ATOM 1374 CE3 TRP A 88 0.081 -6.980 3.700 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 0.176 -9.525 4.930 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -0.728 -8.018 3.277 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -0.674 -9.276 3.892 1.00 0.00 C ATOM 0 H TRP A 88 4.716 -4.571 5.693 1.00 0.00 H new ATOM 0 HA TRP A 88 3.193 -5.461 3.346 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.517 -4.471 6.117 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.312 -4.447 4.844 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.235 -6.859 7.095 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.173 -9.211 6.973 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.035 -6.014 3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.215 -10.496 5.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.414 -7.857 2.458 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.319 -10.066 3.537 1.00 0.00 H new ATOM 1388 N ASP A 89 4.294 -2.569 3.654 1.00 0.00 N ATOM 1389 CA ASP A 89 4.336 -1.222 3.101 1.00 0.00 C ATOM 1390 C ASP A 89 4.176 -1.293 1.584 1.00 0.00 C ATOM 1391 O ASP A 89 5.084 -1.732 0.872 1.00 0.00 O ATOM 1392 CB ASP A 89 5.660 -0.537 3.464 1.00 0.00 C ATOM 1393 CG ASP A 89 5.735 -0.102 4.922 1.00 0.00 C ATOM 1394 OD1 ASP A 89 6.349 0.952 5.196 1.00 0.00 O ATOM 1395 OD2 ASP A 89 5.196 -0.817 5.800 1.00 0.00 O ATOM 0 H ASP A 89 5.155 -2.862 4.117 1.00 0.00 H new ATOM 0 HA ASP A 89 3.520 -0.635 3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.484 -1.219 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.797 0.335 2.825 1.00 0.00 H new ATOM 1400 N GLU A 90 3.018 -0.863 1.095 1.00 0.00 N ATOM 1401 CA GLU A 90 2.722 -0.917 -0.333 1.00 0.00 C ATOM 1402 C GLU A 90 2.225 0.424 -0.863 1.00 0.00 C ATOM 1403 O GLU A 90 2.127 1.405 -0.129 1.00 0.00 O ATOM 1404 CB GLU A 90 1.670 -1.994 -0.619 1.00 0.00 C ATOM 1405 CG GLU A 90 2.200 -3.414 -0.518 1.00 0.00 C ATOM 1406 CD GLU A 90 1.320 -4.416 -1.239 1.00 0.00 C ATOM 1407 OE1 GLU A 90 1.602 -4.716 -2.421 1.00 0.00 O ATOM 1408 OE2 GLU A 90 0.347 -4.911 -0.636 1.00 0.00 O ATOM 0 H GLU A 90 2.268 -0.473 1.666 1.00 0.00 H new ATOM 0 HA GLU A 90 3.653 -1.162 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.843 -1.875 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.267 -1.837 -1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.206 -3.453 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.279 -3.695 0.532 1.00 0.00 H new ATOM 1415 N TRP A 91 1.901 0.444 -2.150 1.00 0.00 N ATOM 1416 CA TRP A 91 1.409 1.640 -2.814 1.00 0.00 C ATOM 1417 C TRP A 91 -0.073 1.490 -3.150 1.00 0.00 C ATOM 1418 O TRP A 91 -0.449 0.583 -3.894 1.00 0.00 O ATOM 1419 CB TRP A 91 2.159 1.872 -4.130 1.00 0.00 C ATOM 1420 CG TRP A 91 3.533 2.453 -4.002 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.714 1.775 -4.063 1.00 0.00 C ATOM 1422 CD2 TRP A 91 3.872 3.836 -3.825 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.768 2.649 -3.947 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.276 3.920 -3.801 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.129 5.013 -3.692 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 5.948 5.131 -3.649 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.801 6.215 -3.540 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.196 6.265 -3.524 1.00 0.00 C ATOM 0 H TRP A 91 1.973 -0.370 -2.761 1.00 0.00 H new ATOM 0 HA TRP A 91 1.565 2.479 -2.136 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.235 0.920 -4.656 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.561 2.535 -4.755 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.808 0.706 -4.185 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.755 2.394 -3.966 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.049 4.986 -3.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.027 5.172 -3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.236 7.129 -3.432 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.690 7.218 -3.411 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.911 2.355 -2.598 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.337 2.325 -2.908 1.00 0.00 C ATOM 1441 C VAL A 92 -2.701 3.591 -3.649 1.00 0.00 C ATOM 1442 O VAL A 92 -1.983 4.583 -3.564 1.00 0.00 O ATOM 1443 CB VAL A 92 -3.236 2.183 -1.660 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -3.100 0.787 -1.075 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.910 3.247 -0.620 1.00 0.00 C ATOM 0 H VAL A 92 -0.634 3.082 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.515 1.441 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.272 2.333 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.738 0.697 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.402 0.050 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.063 0.611 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.560 3.120 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.870 3.147 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.067 4.236 -1.050 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.797 3.568 -4.377 1.00 0.00 N ATOM 1456 CA GLY A 93 -4.195 4.744 -5.113 1.00 0.00 C ATOM 1457 C GLY A 93 -5.591 5.175 -4.749 1.00 0.00 C ATOM 1458 O GLY A 93 -6.280 4.463 -4.025 1.00 0.00 O ATOM 0 H GLY A 93 -4.417 2.763 -4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.497 5.556 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.143 4.540 -6.183 1.00 0.00 H new ATOM 1462 N TYR A 94 -6.005 6.334 -5.263 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.343 6.918 -5.029 1.00 0.00 C ATOM 1464 C TYR A 94 -8.472 5.964 -5.397 1.00 0.00 C ATOM 1465 O TYR A 94 -9.650 6.233 -5.166 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.489 8.165 -5.886 1.00 0.00 C ATOM 1467 CG TYR A 94 -7.056 9.419 -5.201 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -7.926 10.101 -4.375 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -5.784 9.927 -5.390 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -7.544 11.260 -3.749 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -5.387 11.086 -4.767 1.00 0.00 C ATOM 1472 CZ TYR A 94 -6.271 11.755 -3.947 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.884 12.922 -3.330 1.00 0.00 O ATOM 0 H TYR A 94 -5.416 6.909 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.418 7.140 -3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.904 8.039 -6.797 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.531 8.268 -6.188 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.923 9.716 -4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.093 9.406 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.236 11.782 -3.105 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.389 11.470 -4.919 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.958 13.130 -3.574 1.00 0.00 H new ATOM 1483 N ASP A 95 -8.085 4.857 -5.955 1.00 0.00 N ATOM 1484 CA ASP A 95 -9.007 3.839 -6.416 1.00 0.00 C ATOM 1485 C ASP A 95 -9.220 2.779 -5.352 1.00 0.00 C ATOM 1486 O ASP A 95 -10.213 2.049 -5.380 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.479 3.185 -7.700 1.00 0.00 C ATOM 1488 CG ASP A 95 -6.978 2.952 -7.672 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -6.329 3.143 -8.721 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -6.441 2.594 -6.602 1.00 0.00 O ATOM 0 H ASP A 95 -7.104 4.623 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.963 4.320 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.986 2.232 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.727 3.817 -8.552 1.00 0.00 H new ATOM 1495 N ARG A 96 -8.295 2.700 -4.411 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.390 1.710 -3.351 1.00 0.00 C ATOM 1497 C ARG A 96 -8.297 2.361 -1.980 1.00 0.00 C ATOM 1498 O ARG A 96 -8.740 1.798 -0.986 1.00 0.00 O ATOM 1499 CB ARG A 96 -7.289 0.661 -3.514 1.00 0.00 C ATOM 1500 CG ARG A 96 -7.469 -0.219 -4.738 1.00 0.00 C ATOM 1501 CD ARG A 96 -6.184 -0.931 -5.123 1.00 0.00 C ATOM 1502 NE ARG A 96 -6.274 -1.513 -6.462 1.00 0.00 N ATOM 1503 CZ ARG A 96 -5.221 -1.810 -7.228 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -3.984 -1.655 -6.766 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -5.407 -2.275 -8.456 1.00 0.00 N ATOM 0 H ARG A 96 -7.475 3.304 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.363 1.224 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.324 1.165 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.263 0.032 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.247 -0.957 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.810 0.390 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.352 -0.228 -5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.970 -1.716 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.203 -1.705 -6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.833 -1.307 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.186 -1.884 -7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.353 -2.405 -8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.604 -2.502 -9.042 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.721 3.545 -1.932 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.566 4.257 -0.681 1.00 0.00 C ATOM 1521 C ILE A 97 -8.784 5.130 -0.374 1.00 0.00 C ATOM 1522 O ILE A 97 -9.388 5.726 -1.268 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.285 5.116 -0.673 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -6.090 5.753 0.677 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.344 6.197 -1.725 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.814 6.543 0.789 1.00 0.00 C ATOM 0 H ILE A 97 -7.352 4.035 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.480 3.502 0.100 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.446 4.456 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.934 6.410 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.095 4.976 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.427 6.785 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.450 5.741 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.198 6.846 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.739 6.974 1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.963 5.886 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.815 7.343 0.048 1.00 0.00 H new ATOM 1538 N ARG A 98 -9.142 5.172 0.899 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.271 5.955 1.380 1.00 0.00 C ATOM 1540 C ARG A 98 -9.821 6.839 2.542 1.00 0.00 C ATOM 1541 O ARG A 98 -8.660 6.785 2.955 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.401 5.027 1.840 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.840 4.010 0.794 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.843 4.599 -0.190 1.00 0.00 C ATOM 1545 NE ARG A 98 -14.119 4.926 0.456 1.00 0.00 N ATOM 1546 CZ ARG A 98 -15.257 4.257 0.246 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -15.301 3.252 -0.624 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -16.360 4.604 0.899 1.00 0.00 N ATOM 0 H ARG A 98 -8.654 4.660 1.634 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.641 6.582 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.077 4.495 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.261 5.634 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.967 3.650 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.284 3.147 1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.424 5.499 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.017 3.889 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.139 5.712 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.461 2.985 -1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.174 2.748 -0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.338 5.380 1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.229 4.094 0.739 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.743 7.607 3.104 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.435 8.496 4.197 1.00 0.00 C ATOM 1564 C ALA A 99 -10.853 7.834 5.468 1.00 0.00 C ATOM 1565 O ALA A 99 -12.044 7.720 5.734 1.00 0.00 O ATOM 1566 CB ALA A 99 -11.176 9.819 4.072 1.00 0.00 C ATOM 0 H ALA A 99 -11.720 7.626 2.811 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.365 8.704 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.918 10.462 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.891 10.309 3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.250 9.636 4.072 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.884 7.366 6.211 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.123 6.707 7.476 1.00 0.00 C ATOM 1574 C TYR A 100 -10.960 7.622 8.372 1.00 0.00 C ATOM 1575 O TYR A 100 -10.437 8.532 9.017 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.750 6.408 8.065 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.713 5.741 9.421 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.876 4.368 9.536 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.481 6.471 10.579 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.812 3.742 10.763 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.419 5.851 11.812 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.587 4.487 11.899 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.519 3.860 13.122 1.00 0.00 O ATOM 0 H TYR A 100 -8.898 7.430 5.957 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.685 5.779 7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.211 5.774 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.200 7.346 8.134 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.056 3.779 8.649 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.347 7.541 10.515 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.938 2.672 10.833 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.240 6.433 12.704 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.354 4.526 13.822 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.272 7.386 8.378 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.200 8.195 9.148 1.00 0.00 C ATOM 1595 C ASN A 101 -14.394 7.366 9.613 1.00 0.00 C ATOM 1596 O ASN A 101 -14.569 6.221 9.205 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.686 9.390 8.311 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.885 9.062 7.428 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -16.028 9.329 7.793 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -14.632 8.468 6.273 1.00 0.00 N ATOM 0 H ASN A 101 -12.713 6.632 7.851 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.675 8.565 10.029 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.950 10.209 8.980 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.867 9.742 7.683 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -15.400 8.215 5.651 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.669 8.263 6.005 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.230 7.994 10.418 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.418 7.364 11.001 1.00 0.00 C ATOM 1609 C GLU A 102 -17.262 6.567 9.999 1.00 0.00 C ATOM 1610 O GLU A 102 -17.762 5.492 10.328 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.317 8.435 11.622 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.703 9.155 12.804 1.00 0.00 C ATOM 1613 CD GLU A 102 -16.683 8.308 14.056 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -15.602 8.166 14.667 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -17.750 7.790 14.443 1.00 0.00 O ATOM 0 H GLU A 102 -15.109 8.968 10.694 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.041 6.661 11.744 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.571 9.168 10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.250 7.970 11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.684 9.452 12.554 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.263 10.070 12.998 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.394 7.075 8.782 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.246 6.438 7.782 1.00 0.00 C ATOM 1624 C GLU A 103 -17.618 5.245 7.055 1.00 0.00 C ATOM 1625 O GLU A 103 -18.278 4.219 6.884 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.701 7.461 6.751 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.889 6.981 5.943 1.00 0.00 C ATOM 1628 CD GLU A 103 -20.107 7.780 4.682 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -19.154 7.912 3.886 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -21.240 8.256 4.468 1.00 0.00 O ATOM 0 H GLU A 103 -16.925 7.923 8.462 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.088 6.039 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.961 8.391 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.874 7.686 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.744 5.933 5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.786 7.034 6.560 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.369 5.346 6.623 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.773 4.241 5.870 1.00 0.00 C ATOM 1639 C ASN A 104 -15.254 3.156 6.798 1.00 0.00 C ATOM 1640 O ASN A 104 -15.195 1.981 6.434 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.669 4.732 4.925 1.00 0.00 C ATOM 1642 CG ASN A 104 -13.347 5.000 5.615 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -13.305 5.493 6.736 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -12.255 4.673 4.947 1.00 0.00 N ATOM 0 H ASN A 104 -15.762 6.152 6.772 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.562 3.806 5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -14.516 3.988 4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -15.004 5.646 4.434 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.337 4.829 5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -12.330 4.264 4.015 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.898 3.552 8.003 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.406 2.617 8.989 1.00 0.00 C ATOM 1653 C ILE A 105 -15.547 1.772 9.498 1.00 0.00 C ATOM 1654 O ILE A 105 -15.380 0.584 9.778 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.781 3.346 10.159 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.574 4.134 9.684 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.404 2.378 11.265 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -11.932 4.913 10.785 1.00 0.00 C ATOM 0 H ILE A 105 -14.941 4.520 8.322 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.651 1.989 8.516 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.512 4.041 10.573 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.843 3.449 9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.878 4.816 8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.957 2.928 12.093 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.297 1.859 11.614 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.687 1.651 10.883 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.074 5.459 10.392 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.652 5.619 11.199 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.601 4.231 11.568 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.713 2.404 9.614 1.00 0.00 N ATOM 1671 CA ALA A 106 -17.910 1.718 10.062 1.00 0.00 C ATOM 1672 C ALA A 106 -18.137 0.503 9.189 1.00 0.00 C ATOM 1673 O ALA A 106 -18.542 -0.559 9.671 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.113 2.645 10.016 1.00 0.00 C ATOM 0 H ALA A 106 -16.848 3.392 9.402 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.778 1.402 11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -19.999 2.109 10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.936 3.503 10.665 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.268 2.990 8.994 1.00 0.00 H new ATOM 1680 N MET A 107 -17.833 0.657 7.901 1.00 0.00 N ATOM 1681 CA MET A 107 -17.976 -0.445 6.976 1.00 0.00 C ATOM 1682 C MET A 107 -16.861 -1.434 7.233 1.00 0.00 C ATOM 1683 O MET A 107 -17.129 -2.598 7.392 1.00 0.00 O ATOM 1684 CB MET A 107 -17.947 0.000 5.511 1.00 0.00 C ATOM 1685 CG MET A 107 -18.791 -0.879 4.601 1.00 0.00 C ATOM 1686 SD MET A 107 -18.762 -0.335 2.881 1.00 0.00 S ATOM 1687 CE MET A 107 -19.785 1.129 2.974 1.00 0.00 C ATOM 0 H MET A 107 -17.492 1.525 7.487 1.00 0.00 H new ATOM 0 HA MET A 107 -18.952 -0.900 7.144 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.302 1.028 5.443 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.916 -0.005 5.157 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.430 -1.906 4.659 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.820 -0.882 4.959 1.00 0.00 H new ATOM 0 HE1 MET A 107 -20.025 1.470 1.967 1.00 0.00 H new ATOM 0 HE2 MET A 107 -20.706 0.896 3.508 1.00 0.00 H new ATOM 0 HE3 MET A 107 -19.248 1.915 3.504 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.615 -0.943 7.325 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.434 -1.789 7.569 1.00 0.00 C ATOM 1699 C LYS A 108 -14.671 -2.765 8.715 1.00 0.00 C ATOM 1700 O LYS A 108 -14.271 -3.926 8.653 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.218 -0.910 7.887 1.00 0.00 C ATOM 1702 CG LYS A 108 -11.898 -1.667 7.946 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.415 -1.873 9.377 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.664 -0.659 9.900 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.581 -1.044 10.847 1.00 0.00 N ATOM 0 H LYS A 108 -15.397 0.049 7.233 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.247 -2.367 6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.142 -0.128 7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.383 -0.414 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.015 -2.636 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.141 -1.119 7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.269 -2.078 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -10.766 -2.748 9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.236 -0.108 9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.362 0.013 10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.228 -0.196 11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.955 -1.716 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.802 -1.490 10.321 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.313 -2.273 9.757 1.00 0.00 N ATOM 1720 CA LYS A 109 -15.629 -3.089 10.933 1.00 0.00 C ATOM 1721 C LYS A 109 -16.563 -4.228 10.554 1.00 0.00 C ATOM 1722 O LYS A 109 -16.251 -5.402 10.759 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.292 -2.244 12.025 1.00 0.00 C ATOM 1724 CG LYS A 109 -15.537 -0.981 12.400 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.161 -1.289 12.956 1.00 0.00 C ATOM 1726 CE LYS A 109 -13.870 -0.451 14.191 1.00 0.00 C ATOM 1727 NZ LYS A 109 -14.019 -1.236 15.449 1.00 0.00 N ATOM 0 H LYS A 109 -15.632 -1.306 9.821 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.692 -3.494 11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.293 -1.967 11.693 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -16.411 -2.858 12.918 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.439 -0.342 11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.110 -0.421 13.139 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.095 -2.348 13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.406 -1.095 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.856 -0.055 14.129 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.545 0.404 14.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.811 -0.626 16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.993 -1.593 15.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.357 -2.038 15.438 1.00 0.00 H new ATOM 1741 N ARG A 110 -17.709 -3.870 9.999 1.00 0.00 N ATOM 1742 CA ARG A 110 -18.699 -4.846 9.575 1.00 0.00 C ATOM 1743 C ARG A 110 -18.128 -5.690 8.446 1.00 0.00 C ATOM 1744 O ARG A 110 -18.443 -6.857 8.296 1.00 0.00 O ATOM 1745 CB ARG A 110 -19.956 -4.117 9.103 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.199 -4.988 9.058 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.365 -4.256 8.415 1.00 0.00 C ATOM 1748 NE ARG A 110 -22.505 -2.886 8.915 1.00 0.00 N ATOM 1749 CZ ARG A 110 -23.667 -2.240 9.009 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -24.809 -2.858 8.732 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -23.678 -0.968 9.403 1.00 0.00 N ATOM 0 H ARG A 110 -17.978 -2.901 9.830 1.00 0.00 H new ATOM 0 HA ARG A 110 -18.956 -5.498 10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.142 -3.271 9.765 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.775 -3.710 8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -20.987 -5.899 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.470 -5.290 10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -22.225 -4.233 7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -23.286 -4.806 8.606 1.00 0.00 H new ATOM 0 HE ARG A 110 -21.660 -2.396 9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -24.803 -3.836 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -25.693 -2.354 8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -22.802 -0.497 9.630 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -24.562 -0.465 9.478 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.265 -5.062 7.676 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.604 -5.670 6.540 1.00 0.00 C ATOM 1767 C LEU A 111 -15.652 -6.759 6.957 1.00 0.00 C ATOM 1768 O LEU A 111 -15.647 -7.827 6.379 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.860 -4.597 5.762 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.659 -3.991 4.636 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.993 -2.729 4.126 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.864 -4.963 3.503 1.00 0.00 C ATOM 0 H LEU A 111 -16.997 -4.089 7.826 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.366 -6.131 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.562 -3.805 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -14.945 -5.027 5.354 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.640 -3.739 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.585 -2.308 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.920 -2.003 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.994 -2.967 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.444 -4.485 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.896 -5.269 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.400 -5.839 3.868 1.00 0.00 H new ATOM 1784 N ALA A 112 -14.854 -6.512 7.969 1.00 0.00 N ATOM 1785 CA ALA A 112 -13.922 -7.525 8.407 1.00 0.00 C ATOM 1786 C ALA A 112 -14.671 -8.626 9.130 1.00 0.00 C ATOM 1787 O ALA A 112 -14.109 -9.659 9.465 1.00 0.00 O ATOM 1788 CB ALA A 112 -12.824 -6.929 9.270 1.00 0.00 C ATOM 0 H ALA A 112 -14.829 -5.638 8.495 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.432 -7.957 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.139 -7.717 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.277 -6.180 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.266 -6.462 10.150 1.00 0.00 H new ATOM 1794 N ASN A 113 -15.941 -8.367 9.392 1.00 0.00 N ATOM 1795 CA ASN A 113 -16.800 -9.333 10.040 1.00 0.00 C ATOM 1796 C ASN A 113 -17.634 -10.085 9.006 1.00 0.00 C ATOM 1797 O ASN A 113 -17.920 -11.262 9.181 1.00 0.00 O ATOM 1798 CB ASN A 113 -17.723 -8.635 11.032 1.00 0.00 C ATOM 1799 CG ASN A 113 -17.133 -8.549 12.422 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -17.260 -9.479 13.219 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -16.492 -7.430 12.725 1.00 0.00 N ATOM 0 H ASN A 113 -16.400 -7.486 9.162 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.172 -10.046 10.574 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -17.941 -7.630 10.672 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -18.671 -9.170 11.077 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.079 -7.313 13.650 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.411 -6.685 12.033 1.00 0.00 H new