USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 611 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 78 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 LYS NZ :NH3+ -164:sc= 1.05 (180deg=0.265!) USER MOD Set 2.1: A 30 GLN :FLIP amide:sc= -4.13! F(o=-5.4,f=-4.8!) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.632 X(o=-4.8,f=-4.9) USER MOD Single : A 8 SER OG : rot 180:sc= -0.065 USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.0993 (180deg=-0.554) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -141:sc= -1.18 (180deg=-2.1!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.2) USER MOD Single : A 28 GLN : amide:sc= -0.0012 K(o=-0.0012,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc=-0.000363 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 74:sc= 0.182 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.261 F(o=-3.1!,f=-0.26) USER MOD Single : A 49 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.4!) USER MOD Single : A 73 GLN : amide:sc= -0.265 K(o=-0.26,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.945 15.142 -1.082 1.00 0.00 N ATOM 67 CA SER A 8 5.992 14.363 -0.301 1.00 0.00 C ATOM 68 C SER A 8 4.871 13.830 -1.189 1.00 0.00 C ATOM 69 O SER A 8 4.597 12.629 -1.207 1.00 0.00 O ATOM 70 CB SER A 8 5.405 15.214 0.826 1.00 0.00 C ATOM 71 OG SER A 8 6.358 15.433 1.850 1.00 0.00 O ATOM 0 HA SER A 8 6.523 13.516 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.070 16.171 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.528 14.718 1.241 1.00 0.00 H new ATOM 0 HG SER A 8 5.958 15.981 2.557 1.00 0.00 H new ATOM 77 N ILE A 9 4.226 14.731 -1.922 1.00 0.00 N ATOM 78 CA ILE A 9 3.136 14.352 -2.812 1.00 0.00 C ATOM 79 C ILE A 9 3.478 13.088 -3.593 1.00 0.00 C ATOM 80 O ILE A 9 2.714 12.123 -3.600 1.00 0.00 O ATOM 81 CB ILE A 9 2.802 15.481 -3.805 1.00 0.00 C ATOM 82 CG1 ILE A 9 2.392 16.748 -3.051 1.00 0.00 C ATOM 83 CG2 ILE A 9 1.697 15.042 -4.753 1.00 0.00 C ATOM 84 CD1 ILE A 9 1.572 17.709 -3.884 1.00 0.00 C ATOM 0 H ILE A 9 4.439 15.728 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 9 2.266 14.163 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 9 3.692 15.703 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.819 16.466 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.289 17.258 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.472 15.850 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.023 14.164 -5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.803 14.797 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.317 18.584 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.150 18.021 -4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.657 17.216 -4.213 1.00 0.00 H new ATOM 96 N LEU A 10 4.633 13.100 -4.251 1.00 0.00 N ATOM 97 CA LEU A 10 5.078 11.953 -5.035 1.00 0.00 C ATOM 98 C LEU A 10 5.313 10.740 -4.141 1.00 0.00 C ATOM 99 O LEU A 10 4.750 9.669 -4.369 1.00 0.00 O ATOM 100 CB LEU A 10 6.361 12.298 -5.794 1.00 0.00 C ATOM 101 CG LEU A 10 6.178 13.018 -7.131 1.00 0.00 C ATOM 102 CD1 LEU A 10 6.147 14.525 -6.924 1.00 0.00 C ATOM 103 CD2 LEU A 10 7.285 12.632 -8.101 1.00 0.00 C ATOM 0 H LEU A 10 5.277 13.891 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 10 4.294 11.706 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.983 12.921 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.912 11.375 -5.974 1.00 0.00 H new ATOM 0 HG LEU A 10 5.224 12.711 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.016 15.022 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.318 14.785 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.084 14.850 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.138 13.154 -9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.251 12.909 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.259 11.556 -8.273 1.00 0.00 H new ATOM 115 N LYS A 11 6.146 10.915 -3.121 1.00 0.00 N ATOM 116 CA LYS A 11 6.453 9.837 -2.189 1.00 0.00 C ATOM 117 C LYS A 11 5.194 9.060 -1.821 1.00 0.00 C ATOM 118 O LYS A 11 5.214 7.832 -1.735 1.00 0.00 O ATOM 119 CB LYS A 11 7.106 10.399 -0.924 1.00 0.00 C ATOM 120 CG LYS A 11 7.956 9.386 -0.178 1.00 0.00 C ATOM 121 CD LYS A 11 8.530 9.973 1.102 1.00 0.00 C ATOM 122 CE LYS A 11 9.813 10.745 0.834 1.00 0.00 C ATOM 123 NZ LYS A 11 10.906 9.854 0.355 1.00 0.00 N ATOM 0 H LYS A 11 6.621 11.795 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 11 7.149 9.156 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.727 11.253 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.327 10.769 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.353 8.510 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.769 9.048 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.795 10.634 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.728 9.172 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.623 11.519 0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.130 11.251 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.827 10.290 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.840 8.934 0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.816 9.715 -0.672 1.00 0.00 H new ATOM 137 N ILE A 12 4.099 9.783 -1.609 1.00 0.00 N ATOM 138 CA ILE A 12 2.830 9.160 -1.254 1.00 0.00 C ATOM 139 C ILE A 12 2.129 8.599 -2.486 1.00 0.00 C ATOM 140 O ILE A 12 1.409 7.605 -2.403 1.00 0.00 O ATOM 141 CB ILE A 12 1.889 10.159 -0.553 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.634 10.897 0.562 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.671 9.437 0.003 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.046 12.252 0.886 1.00 0.00 C ATOM 0 H ILE A 12 4.065 10.800 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 12 3.060 8.346 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 12 1.549 10.892 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.627 10.282 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.677 11.023 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.015 10.155 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.132 8.953 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.992 8.685 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.624 12.718 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.078 12.884 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.012 12.132 1.209 1.00 0.00 H new ATOM 156 N GLU A 13 2.347 9.243 -3.629 1.00 0.00 N ATOM 157 CA GLU A 13 1.737 8.806 -4.879 1.00 0.00 C ATOM 158 C GLU A 13 2.301 7.457 -5.318 1.00 0.00 C ATOM 159 O GLU A 13 1.604 6.651 -5.935 1.00 0.00 O ATOM 160 CB GLU A 13 1.966 9.848 -5.976 1.00 0.00 C ATOM 161 CG GLU A 13 1.075 11.072 -5.849 1.00 0.00 C ATOM 162 CD GLU A 13 -0.313 10.843 -6.417 1.00 0.00 C ATOM 163 OE1 GLU A 13 -1.194 10.382 -5.662 1.00 0.00 O ATOM 164 OE2 GLU A 13 -0.517 11.129 -7.615 1.00 0.00 O ATOM 0 H GLU A 13 2.941 10.068 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 13 0.666 8.695 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.009 10.164 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.795 9.384 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.993 11.350 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.541 11.912 -6.365 1.00 0.00 H new ATOM 171 N LYS A 14 3.567 7.218 -4.995 1.00 0.00 N ATOM 172 CA LYS A 14 4.226 5.968 -5.354 1.00 0.00 C ATOM 173 C LYS A 14 3.800 4.840 -4.421 1.00 0.00 C ATOM 174 O LYS A 14 3.783 3.673 -4.807 1.00 0.00 O ATOM 175 CB LYS A 14 5.746 6.137 -5.307 1.00 0.00 C ATOM 176 CG LYS A 14 6.257 6.670 -3.979 1.00 0.00 C ATOM 177 CD LYS A 14 7.720 6.320 -3.764 1.00 0.00 C ATOM 178 CE LYS A 14 8.638 7.296 -4.485 1.00 0.00 C ATOM 179 NZ LYS A 14 10.047 7.182 -4.016 1.00 0.00 N ATOM 0 H LYS A 14 4.158 7.874 -4.485 1.00 0.00 H new ATOM 0 HA LYS A 14 3.927 5.708 -6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.217 5.175 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.053 6.815 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.132 7.752 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.660 6.257 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.944 6.328 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.910 5.308 -4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.596 7.109 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.283 8.314 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.641 7.863 -4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.091 7.385 -2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.394 6.218 -4.192 1.00 0.00 H new ATOM 193 N VAL A 15 3.454 5.198 -3.188 1.00 0.00 N ATOM 194 CA VAL A 15 3.025 4.217 -2.199 1.00 0.00 C ATOM 195 C VAL A 15 1.643 3.665 -2.535 1.00 0.00 C ATOM 196 O VAL A 15 1.268 2.583 -2.084 1.00 0.00 O ATOM 197 CB VAL A 15 2.993 4.823 -0.783 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.491 3.800 0.225 1.00 0.00 C ATOM 199 CG2 VAL A 15 4.370 5.338 -0.393 1.00 0.00 C ATOM 0 H VAL A 15 3.463 6.161 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 15 3.753 3.406 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 15 2.302 5.666 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.475 4.246 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.484 3.485 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.154 2.935 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.329 5.763 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.084 4.515 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.685 6.106 -1.100 1.00 0.00 H new ATOM 209 N LEU A 16 0.891 4.417 -3.331 1.00 0.00 N ATOM 210 CA LEU A 16 -0.450 4.003 -3.730 1.00 0.00 C ATOM 211 C LEU A 16 -0.443 3.421 -5.140 1.00 0.00 C ATOM 212 O LEU A 16 -0.877 2.290 -5.359 1.00 0.00 O ATOM 213 CB LEU A 16 -1.412 5.189 -3.660 1.00 0.00 C ATOM 214 CG LEU A 16 -1.709 5.731 -2.261 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.657 6.919 -2.338 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.292 4.637 -1.378 1.00 0.00 C ATOM 0 H LEU A 16 1.186 5.316 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.786 3.229 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.002 6.000 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.355 4.894 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.773 6.068 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.857 7.291 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.202 7.710 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.593 6.608 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.497 5.040 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.218 4.269 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.578 3.817 -1.296 1.00 0.00 H new ATOM 228 N LYS A 17 0.052 4.202 -6.094 1.00 0.00 N ATOM 229 CA LYS A 17 0.119 3.763 -7.483 1.00 0.00 C ATOM 230 C LYS A 17 0.397 2.267 -7.570 1.00 0.00 C ATOM 231 O LYS A 17 -0.388 1.512 -8.144 1.00 0.00 O ATOM 232 CB LYS A 17 1.206 4.538 -8.232 1.00 0.00 C ATOM 233 CG LYS A 17 1.379 4.103 -9.676 1.00 0.00 C ATOM 234 CD LYS A 17 2.381 2.968 -9.801 1.00 0.00 C ATOM 235 CE LYS A 17 2.878 2.817 -11.231 1.00 0.00 C ATOM 236 NZ LYS A 17 3.615 1.539 -11.430 1.00 0.00 N ATOM 0 H LYS A 17 0.413 5.142 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.847 3.962 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.964 5.601 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.154 4.415 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.417 3.786 -10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.712 4.951 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.227 3.153 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.919 2.036 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.031 2.858 -11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.530 3.655 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.937 1.474 -12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.438 1.510 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.986 0.739 -11.218 1.00 0.00 H new ATOM 250 N ARG A 18 1.517 1.842 -6.993 1.00 0.00 N ATOM 251 CA ARG A 18 1.897 0.435 -7.005 1.00 0.00 C ATOM 252 C ARG A 18 0.801 -0.429 -6.387 1.00 0.00 C ATOM 253 O ARG A 18 0.435 -1.469 -6.935 1.00 0.00 O ATOM 254 CB ARG A 18 3.209 0.233 -6.246 1.00 0.00 C ATOM 255 CG ARG A 18 3.939 -1.047 -6.620 1.00 0.00 C ATOM 256 CD ARG A 18 4.523 -0.965 -8.021 1.00 0.00 C ATOM 257 NE ARG A 18 5.848 -0.353 -8.026 1.00 0.00 N ATOM 258 CZ ARG A 18 6.054 0.954 -8.157 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.025 1.779 -8.292 1.00 0.00 N ATOM 260 NH2 ARG A 18 7.290 1.435 -8.153 1.00 0.00 N ATOM 0 H ARG A 18 2.177 2.453 -6.511 1.00 0.00 H new ATOM 0 HA ARG A 18 2.035 0.130 -8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.864 1.083 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.002 0.224 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.737 -1.235 -5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.251 -1.890 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.585 -1.966 -8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.854 -0.387 -8.659 1.00 0.00 H new ATOM 0 HE ARG A 18 6.660 -0.961 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.074 1.411 -8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.185 2.781 -8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.083 0.802 -8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.447 2.438 -8.254 1.00 0.00 H new ATOM 274 N MET A 19 0.282 0.009 -5.245 1.00 0.00 N ATOM 275 CA MET A 19 -0.772 -0.724 -4.554 1.00 0.00 C ATOM 276 C MET A 19 -1.849 -1.179 -5.533 1.00 0.00 C ATOM 277 O MET A 19 -2.125 -2.372 -5.658 1.00 0.00 O ATOM 278 CB MET A 19 -1.394 0.145 -3.460 1.00 0.00 C ATOM 279 CG MET A 19 -2.387 -0.600 -2.583 1.00 0.00 C ATOM 280 SD MET A 19 -3.980 -0.844 -3.391 1.00 0.00 S ATOM 281 CE MET A 19 -4.395 0.839 -3.839 1.00 0.00 C ATOM 0 H MET A 19 0.574 0.868 -4.779 1.00 0.00 H new ATOM 0 HA MET A 19 -0.326 -1.607 -4.096 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.599 0.549 -2.833 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.897 0.994 -3.924 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.970 -1.569 -2.311 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.535 -0.045 -1.656 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.462 1.003 -3.688 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.830 1.531 -3.215 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.146 1.008 -4.887 1.00 0.00 H new ATOM 291 N ARG A 20 -2.457 -0.219 -6.225 1.00 0.00 N ATOM 292 CA ARG A 20 -3.506 -0.521 -7.191 1.00 0.00 C ATOM 293 C ARG A 20 -3.093 -1.680 -8.097 1.00 0.00 C ATOM 294 O ARG A 20 -3.761 -2.713 -8.139 1.00 0.00 O ATOM 295 CB ARG A 20 -3.820 0.713 -8.037 1.00 0.00 C ATOM 296 CG ARG A 20 -5.225 0.713 -8.619 1.00 0.00 C ATOM 297 CD ARG A 20 -5.309 1.566 -9.875 1.00 0.00 C ATOM 298 NE ARG A 20 -6.671 2.024 -10.135 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.276 2.970 -9.426 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.643 3.556 -8.419 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.518 3.333 -9.724 1.00 0.00 N ATOM 0 H ARG A 20 -2.241 0.774 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.400 -0.813 -6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.690 1.605 -7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.099 0.777 -8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.523 -0.309 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.928 1.089 -7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.650 2.428 -9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.951 0.991 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.186 1.594 -10.903 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.689 3.281 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.110 4.282 -7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.008 2.885 -10.498 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.982 4.060 -9.179 1.00 0.00 H new ATOM 315 N GLU A 21 -1.992 -1.498 -8.817 1.00 0.00 N ATOM 316 CA GLU A 21 -1.493 -2.527 -9.722 1.00 0.00 C ATOM 317 C GLU A 21 -1.373 -3.869 -9.005 1.00 0.00 C ATOM 318 O GLU A 21 -2.054 -4.834 -9.354 1.00 0.00 O ATOM 319 CB GLU A 21 -0.135 -2.118 -10.295 1.00 0.00 C ATOM 320 CG GLU A 21 -0.234 -1.310 -11.578 1.00 0.00 C ATOM 321 CD GLU A 21 -0.275 -2.185 -12.816 1.00 0.00 C ATOM 322 OE1 GLU A 21 0.499 -3.163 -12.879 1.00 0.00 O ATOM 323 OE2 GLU A 21 -1.082 -1.890 -13.723 1.00 0.00 O ATOM 0 H GLU A 21 -1.428 -0.648 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.206 -2.634 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.404 -1.534 -9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.455 -3.015 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.131 -0.691 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.618 -0.633 -11.644 1.00 0.00 H new ATOM 330 N ILE A 22 -0.502 -3.921 -8.003 1.00 0.00 N ATOM 331 CA ILE A 22 -0.293 -5.144 -7.237 1.00 0.00 C ATOM 332 C ILE A 22 -1.618 -5.836 -6.933 1.00 0.00 C ATOM 333 O ILE A 22 -1.732 -7.057 -7.041 1.00 0.00 O ATOM 334 CB ILE A 22 0.441 -4.860 -5.914 1.00 0.00 C ATOM 335 CG1 ILE A 22 1.803 -4.217 -6.188 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.607 -6.143 -5.114 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.463 -3.649 -4.951 1.00 0.00 C ATOM 0 H ILE A 22 0.070 -3.132 -7.703 1.00 0.00 H new ATOM 0 HA ILE A 22 0.323 -5.800 -7.851 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.157 -4.163 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.464 -4.961 -6.633 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.679 -3.421 -6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.128 -5.926 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.374 -6.563 -4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.187 -6.861 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.424 -3.210 -5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.822 -2.882 -4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.619 -4.446 -4.224 1.00 0.00 H new ATOM 349 N LYS A 23 -2.617 -5.047 -6.554 1.00 0.00 N ATOM 350 CA LYS A 23 -3.936 -5.582 -6.236 1.00 0.00 C ATOM 351 C LYS A 23 -4.538 -6.296 -7.443 1.00 0.00 C ATOM 352 O LYS A 23 -4.719 -7.512 -7.428 1.00 0.00 O ATOM 353 CB LYS A 23 -4.867 -4.458 -5.778 1.00 0.00 C ATOM 354 CG LYS A 23 -6.280 -4.925 -5.472 1.00 0.00 C ATOM 355 CD LYS A 23 -7.067 -3.866 -4.719 1.00 0.00 C ATOM 356 CE LYS A 23 -8.249 -4.472 -3.977 1.00 0.00 C ATOM 357 NZ LYS A 23 -9.171 -3.426 -3.455 1.00 0.00 N ATOM 0 H LYS A 23 -2.539 -4.034 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.824 -6.304 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.447 -3.990 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.906 -3.692 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.793 -5.168 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.242 -5.840 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.412 -3.360 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.424 -3.110 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.795 -5.137 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.885 -5.081 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.963 -3.879 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.656 -2.806 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.539 -2.861 -4.247 1.00 0.00 H new ATOM 371 N ASN A 24 -4.844 -5.530 -8.484 1.00 0.00 N ATOM 372 CA ASN A 24 -5.426 -6.090 -9.699 1.00 0.00 C ATOM 373 C ASN A 24 -4.633 -7.305 -10.172 1.00 0.00 C ATOM 374 O ASN A 24 -5.208 -8.324 -10.552 1.00 0.00 O ATOM 375 CB ASN A 24 -5.467 -5.033 -10.805 1.00 0.00 C ATOM 376 CG ASN A 24 -6.310 -5.466 -11.988 1.00 0.00 C ATOM 377 OD1 ASN A 24 -7.171 -6.337 -11.865 1.00 0.00 O ATOM 378 ND2 ASN A 24 -6.066 -4.857 -13.143 1.00 0.00 N ATOM 0 H ASN A 24 -4.699 -4.521 -8.512 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.443 -6.408 -9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.865 -4.103 -10.400 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.452 -4.825 -11.143 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.602 -5.106 -13.974 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.342 -4.140 -13.199 1.00 0.00 H new ATOM 385 N GLU A 25 -3.309 -7.188 -10.144 1.00 0.00 N ATOM 386 CA GLU A 25 -2.437 -8.277 -10.569 1.00 0.00 C ATOM 387 C GLU A 25 -2.663 -9.521 -9.714 1.00 0.00 C ATOM 388 O GLU A 25 -2.776 -10.633 -10.233 1.00 0.00 O ATOM 389 CB GLU A 25 -0.971 -7.849 -10.487 1.00 0.00 C ATOM 390 CG GLU A 25 0.005 -8.936 -10.904 1.00 0.00 C ATOM 391 CD GLU A 25 0.194 -9.005 -12.407 1.00 0.00 C ATOM 392 OE1 GLU A 25 -0.725 -8.586 -13.141 1.00 0.00 O ATOM 393 OE2 GLU A 25 1.261 -9.480 -12.849 1.00 0.00 O ATOM 0 H GLU A 25 -2.817 -6.351 -9.832 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.680 -8.519 -11.604 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.821 -6.975 -11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.747 -7.544 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.969 -8.756 -10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.354 -9.900 -10.542 1.00 0.00 H new ATOM 400 N LEU A 26 -2.728 -9.325 -8.401 1.00 0.00 N ATOM 401 CA LEU A 26 -2.940 -10.430 -7.473 1.00 0.00 C ATOM 402 C LEU A 26 -4.307 -11.071 -7.693 1.00 0.00 C ATOM 403 O LEU A 26 -4.465 -12.285 -7.552 1.00 0.00 O ATOM 404 CB LEU A 26 -2.821 -9.938 -6.029 1.00 0.00 C ATOM 405 CG LEU A 26 -3.547 -10.773 -4.974 1.00 0.00 C ATOM 406 CD1 LEU A 26 -2.904 -12.145 -4.843 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.549 -10.053 -3.633 1.00 0.00 C ATOM 0 H LEU A 26 -2.637 -8.412 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.173 -11.182 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.764 -9.896 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.202 -8.918 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.580 -10.908 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.434 -12.725 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.955 -12.664 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.861 -12.031 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.070 -10.662 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.522 -9.887 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.057 -9.094 -3.736 1.00 0.00 H new ATOM 419 N LEU A 27 -5.291 -10.250 -8.039 1.00 0.00 N ATOM 420 CA LEU A 27 -6.645 -10.738 -8.282 1.00 0.00 C ATOM 421 C LEU A 27 -6.725 -11.483 -9.610 1.00 0.00 C ATOM 422 O LEU A 27 -7.455 -12.466 -9.737 1.00 0.00 O ATOM 423 CB LEU A 27 -7.636 -9.572 -8.277 1.00 0.00 C ATOM 424 CG LEU A 27 -7.951 -8.966 -6.909 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.704 -7.654 -7.068 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.755 -9.944 -6.064 1.00 0.00 C ATOM 0 H LEU A 27 -5.178 -9.243 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.905 -11.431 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.243 -8.784 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.569 -9.913 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.010 -8.763 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.920 -7.237 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.094 -6.951 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.639 -7.833 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.970 -9.496 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.691 -10.179 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.181 -10.859 -5.921 1.00 0.00 H new ATOM 438 N GLN A 28 -5.970 -11.010 -10.595 1.00 0.00 N ATOM 439 CA GLN A 28 -5.955 -11.633 -11.913 1.00 0.00 C ATOM 440 C GLN A 28 -4.715 -12.502 -12.091 1.00 0.00 C ATOM 441 O GLN A 28 -4.236 -12.695 -13.208 1.00 0.00 O ATOM 442 CB GLN A 28 -6.005 -10.564 -13.007 1.00 0.00 C ATOM 443 CG GLN A 28 -7.360 -9.886 -13.134 1.00 0.00 C ATOM 444 CD GLN A 28 -8.367 -10.729 -13.889 1.00 0.00 C ATOM 445 OE1 GLN A 28 -8.084 -11.868 -14.264 1.00 0.00 O ATOM 446 NE2 GLN A 28 -9.552 -10.174 -14.118 1.00 0.00 N ATOM 0 H GLN A 28 -5.360 -10.197 -10.506 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.836 -12.269 -11.996 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.248 -9.808 -12.799 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.746 -11.021 -13.962 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.748 -9.669 -12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.237 -8.930 -13.644 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.744 -9.228 -13.789 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.270 -10.694 -14.622 1.00 0.00 H new ATOM 455 N ALA A 29 -4.200 -13.023 -10.982 1.00 0.00 N ATOM 456 CA ALA A 29 -3.017 -13.873 -11.016 1.00 0.00 C ATOM 457 C ALA A 29 -3.396 -15.334 -11.229 1.00 0.00 C ATOM 458 O ALA A 29 -4.519 -15.742 -10.935 1.00 0.00 O ATOM 459 CB ALA A 29 -2.216 -13.715 -9.732 1.00 0.00 C ATOM 0 H ALA A 29 -4.584 -12.871 -10.049 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.399 -13.559 -11.857 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.335 -14.356 -9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.904 -12.676 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.834 -14.000 -8.880 1.00 0.00 H new ATOM 465 N GLN A 30 -2.452 -16.118 -11.742 1.00 0.00 N ATOM 466 CA GLN A 30 -2.689 -17.534 -11.995 1.00 0.00 C ATOM 467 C GLN A 30 -2.306 -18.375 -10.782 1.00 0.00 C ATOM 468 O GLN A 30 -3.014 -19.312 -10.417 1.00 0.00 O ATOM 469 CB GLN A 30 -1.898 -17.994 -13.221 1.00 0.00 C ATOM 470 CG GLN A 30 -2.556 -19.138 -13.975 1.00 0.00 C ATOM 471 CD GLN A 30 -2.760 -20.366 -13.110 1.00 0.00 C ATOM 472 OE1 GLN A 30 -1.810 -21.293 -13.164 1.00 0.00 O flip ATOM 473 NE2 GLN A 30 -3.760 -20.481 -12.402 1.00 0.00 N flip ATOM 0 H GLN A 30 -1.517 -15.796 -11.990 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.753 -17.670 -12.187 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.770 -17.150 -13.898 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.902 -18.303 -12.905 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.520 -18.807 -14.362 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.941 -19.402 -14.835 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.465 -19.744 -12.391 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.884 -21.313 -11.826 1.00 0.00 H new ATOM 482 N ASN A 31 -1.181 -18.035 -10.164 1.00 0.00 N ATOM 483 CA ASN A 31 -0.703 -18.760 -8.992 1.00 0.00 C ATOM 484 C ASN A 31 -0.379 -17.798 -7.852 1.00 0.00 C ATOM 485 O ASN A 31 0.779 -17.460 -7.603 1.00 0.00 O ATOM 486 CB ASN A 31 0.537 -19.583 -9.347 1.00 0.00 C ATOM 487 CG ASN A 31 0.210 -20.762 -10.244 1.00 0.00 C ATOM 488 OD1 ASN A 31 -0.079 -20.593 -11.428 1.00 0.00 O ATOM 489 ND2 ASN A 31 0.255 -21.964 -9.681 1.00 0.00 N ATOM 0 H ASN A 31 -0.582 -17.262 -10.455 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.496 -19.432 -8.663 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.265 -18.942 -9.844 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.004 -19.945 -8.431 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.045 -22.795 -10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.500 -22.057 -8.695 1.00 0.00 H new ATOM 496 N PRO A 32 -1.424 -17.349 -7.143 1.00 0.00 N ATOM 497 CA PRO A 32 -1.277 -16.422 -6.017 1.00 0.00 C ATOM 498 C PRO A 32 -0.614 -17.077 -4.810 1.00 0.00 C ATOM 499 O PRO A 32 -0.457 -16.451 -3.761 1.00 0.00 O ATOM 500 CB PRO A 32 -2.719 -16.030 -5.687 1.00 0.00 C ATOM 501 CG PRO A 32 -3.542 -17.174 -6.172 1.00 0.00 C ATOM 502 CD PRO A 32 -2.831 -17.711 -7.384 1.00 0.00 C ATOM 0 HA PRO A 32 -0.638 -15.575 -6.268 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.852 -15.872 -4.617 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.000 -15.101 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.636 -17.941 -5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.552 -16.849 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.958 -18.789 -7.479 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.209 -17.263 -8.303 1.00 0.00 H new ATOM 510 N SER A 33 -0.225 -18.338 -4.966 1.00 0.00 N ATOM 511 CA SER A 33 0.418 -19.079 -3.887 1.00 0.00 C ATOM 512 C SER A 33 1.695 -18.378 -3.433 1.00 0.00 C ATOM 513 O SER A 33 1.939 -18.222 -2.237 1.00 0.00 O ATOM 514 CB SER A 33 0.737 -20.505 -4.338 1.00 0.00 C ATOM 515 OG SER A 33 1.541 -20.502 -5.505 1.00 0.00 O ATOM 0 H SER A 33 -0.344 -18.868 -5.829 1.00 0.00 H new ATOM 0 HA SER A 33 -0.273 -19.119 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.253 -21.036 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.190 -21.044 -4.532 1.00 0.00 H new ATOM 0 HG SER A 33 1.733 -21.425 -5.772 1.00 0.00 H new ATOM 521 N GLU A 34 2.507 -17.959 -4.399 1.00 0.00 N ATOM 522 CA GLU A 34 3.760 -17.275 -4.099 1.00 0.00 C ATOM 523 C GLU A 34 3.520 -15.793 -3.830 1.00 0.00 C ATOM 524 O GLU A 34 4.159 -15.197 -2.962 1.00 0.00 O ATOM 525 CB GLU A 34 4.746 -17.441 -5.258 1.00 0.00 C ATOM 526 CG GLU A 34 5.333 -18.839 -5.362 1.00 0.00 C ATOM 527 CD GLU A 34 6.275 -19.164 -4.219 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.797 -19.287 -3.072 1.00 0.00 O ATOM 529 OE2 GLU A 34 7.490 -19.296 -4.472 1.00 0.00 O ATOM 0 H GLU A 34 2.320 -18.081 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 34 4.185 -17.725 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.240 -17.198 -6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.558 -16.723 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.523 -19.568 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.868 -18.935 -6.307 1.00 0.00 H new ATOM 536 N LEU A 35 2.596 -15.203 -4.579 1.00 0.00 N ATOM 537 CA LEU A 35 2.271 -13.789 -4.423 1.00 0.00 C ATOM 538 C LEU A 35 1.872 -13.479 -2.983 1.00 0.00 C ATOM 539 O LEU A 35 2.339 -12.503 -2.396 1.00 0.00 O ATOM 540 CB LEU A 35 1.139 -13.398 -5.373 1.00 0.00 C ATOM 541 CG LEU A 35 1.534 -13.180 -6.834 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.303 -13.191 -7.728 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.299 -11.874 -6.991 1.00 0.00 C ATOM 0 H LEU A 35 2.058 -15.682 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 35 3.160 -13.207 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.376 -14.175 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.680 -12.482 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 35 2.186 -13.998 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.604 -13.034 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.203 -14.152 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.375 -12.394 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.572 -11.736 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.672 -11.044 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.202 -11.906 -6.382 1.00 0.00 H new ATOM 555 N TYR A 36 1.008 -14.316 -2.421 1.00 0.00 N ATOM 556 CA TYR A 36 0.547 -14.131 -1.051 1.00 0.00 C ATOM 557 C TYR A 36 1.666 -13.591 -0.166 1.00 0.00 C ATOM 558 O TYR A 36 1.436 -12.751 0.705 1.00 0.00 O ATOM 559 CB TYR A 36 0.025 -15.453 -0.482 1.00 0.00 C ATOM 560 CG TYR A 36 -1.280 -15.903 -1.100 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.328 -15.010 -1.290 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.467 -17.223 -1.493 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.521 -15.417 -1.852 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.656 -17.639 -2.058 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.681 -16.733 -2.234 1.00 0.00 C ATOM 566 OH TYR A 36 -4.869 -17.143 -2.796 1.00 0.00 O ATOM 0 H TYR A 36 0.613 -15.129 -2.893 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.264 -13.403 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.777 -16.227 -0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.109 -15.348 0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.207 -13.979 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.668 -17.936 -1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.325 -14.709 -1.992 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.783 -18.668 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.818 -18.098 -3.009 1.00 0.00 H new ATOM 576 N LEU A 37 2.880 -14.079 -0.397 1.00 0.00 N ATOM 577 CA LEU A 37 4.038 -13.648 0.377 1.00 0.00 C ATOM 578 C LEU A 37 4.680 -12.412 -0.246 1.00 0.00 C ATOM 579 O LEU A 37 4.825 -11.379 0.406 1.00 0.00 O ATOM 580 CB LEU A 37 5.065 -14.777 0.470 1.00 0.00 C ATOM 581 CG LEU A 37 4.847 -15.791 1.594 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.905 -15.105 2.950 1.00 0.00 C ATOM 583 CD2 LEU A 37 3.518 -16.510 1.414 1.00 0.00 C ATOM 0 H LEU A 37 3.088 -14.774 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 37 3.697 -13.392 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.073 -15.313 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.053 -14.333 0.594 1.00 0.00 H new ATOM 0 HG LEU A 37 5.646 -16.531 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.748 -15.842 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.881 -14.638 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.128 -14.343 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.380 -17.228 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.706 -15.783 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.515 -17.035 0.459 1.00 0.00 H new ATOM 595 N SER A 38 5.061 -12.526 -1.515 1.00 0.00 N ATOM 596 CA SER A 38 5.688 -11.419 -2.227 1.00 0.00 C ATOM 597 C SER A 38 4.857 -10.147 -2.095 1.00 0.00 C ATOM 598 O SER A 38 5.331 -9.133 -1.584 1.00 0.00 O ATOM 599 CB SER A 38 5.869 -11.772 -3.704 1.00 0.00 C ATOM 600 OG SER A 38 6.556 -10.743 -4.395 1.00 0.00 O ATOM 0 H SER A 38 4.946 -13.374 -2.070 1.00 0.00 H new ATOM 0 HA SER A 38 6.666 -11.241 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.423 -12.706 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.894 -11.935 -4.164 1.00 0.00 H new ATOM 0 HG SER A 38 6.660 -10.994 -5.337 1.00 0.00 H new ATOM 606 N SER A 39 3.613 -10.209 -2.559 1.00 0.00 N ATOM 607 CA SER A 39 2.715 -9.062 -2.497 1.00 0.00 C ATOM 608 C SER A 39 2.766 -8.406 -1.121 1.00 0.00 C ATOM 609 O SER A 39 3.028 -7.209 -0.999 1.00 0.00 O ATOM 610 CB SER A 39 1.282 -9.491 -2.817 1.00 0.00 C ATOM 611 OG SER A 39 1.112 -9.704 -4.208 1.00 0.00 O ATOM 0 H SER A 39 3.204 -11.042 -2.982 1.00 0.00 H new ATOM 0 HA SER A 39 3.043 -8.335 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.043 -10.405 -2.274 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.585 -8.726 -2.475 1.00 0.00 H new ATOM 0 HG SER A 39 0.188 -9.979 -4.386 1.00 0.00 H new ATOM 617 N LYS A 40 2.514 -9.199 -0.085 1.00 0.00 N ATOM 618 CA LYS A 40 2.532 -8.699 1.285 1.00 0.00 C ATOM 619 C LYS A 40 3.838 -7.968 1.580 1.00 0.00 C ATOM 620 O LYS A 40 3.836 -6.788 1.933 1.00 0.00 O ATOM 621 CB LYS A 40 2.346 -9.852 2.273 1.00 0.00 C ATOM 622 CG LYS A 40 1.837 -9.410 3.634 1.00 0.00 C ATOM 623 CD LYS A 40 1.001 -10.494 4.296 1.00 0.00 C ATOM 624 CE LYS A 40 0.861 -10.254 5.791 1.00 0.00 C ATOM 625 NZ LYS A 40 2.079 -10.675 6.537 1.00 0.00 N ATOM 0 H LYS A 40 2.295 -10.192 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 40 1.708 -7.995 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.647 -10.573 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.298 -10.368 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.682 -9.158 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.240 -8.505 3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.013 -10.524 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.462 -11.467 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.671 -9.196 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.003 -10.802 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.944 -10.495 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.246 -11.690 6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.899 -10.134 6.196 1.00 0.00 H new ATOM 639 N THR A 41 4.954 -8.675 1.431 1.00 0.00 N ATOM 640 CA THR A 41 6.267 -8.094 1.681 1.00 0.00 C ATOM 641 C THR A 41 6.423 -6.759 0.961 1.00 0.00 C ATOM 642 O THR A 41 6.698 -5.735 1.586 1.00 0.00 O ATOM 643 CB THR A 41 7.395 -9.041 1.233 1.00 0.00 C ATOM 644 OG1 THR A 41 7.301 -10.283 1.938 1.00 0.00 O ATOM 645 CG2 THR A 41 8.759 -8.414 1.481 1.00 0.00 C ATOM 0 H THR A 41 4.974 -9.652 1.138 1.00 0.00 H new ATOM 0 HA THR A 41 6.343 -7.935 2.757 1.00 0.00 H new ATOM 0 HB THR A 41 7.284 -9.221 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.545 -10.801 1.589 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.540 -9.102 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.839 -7.483 0.920 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.876 -8.207 2.545 1.00 0.00 H new ATOM 653 N GLU A 42 6.245 -6.778 -0.356 1.00 0.00 N ATOM 654 CA GLU A 42 6.367 -5.568 -1.160 1.00 0.00 C ATOM 655 C GLU A 42 5.451 -4.468 -0.630 1.00 0.00 C ATOM 656 O GLU A 42 5.853 -3.309 -0.518 1.00 0.00 O ATOM 657 CB GLU A 42 6.033 -5.864 -2.623 1.00 0.00 C ATOM 658 CG GLU A 42 6.717 -4.929 -3.606 1.00 0.00 C ATOM 659 CD GLU A 42 8.206 -5.194 -3.723 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.578 -6.240 -4.297 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.997 -4.358 -3.241 1.00 0.00 O ATOM 0 H GLU A 42 6.016 -7.617 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 42 7.398 -5.222 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.320 -6.890 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.954 -5.796 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.254 -5.037 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.559 -3.898 -3.291 1.00 0.00 H new ATOM 668 N LEU A 43 4.217 -4.839 -0.305 1.00 0.00 N ATOM 669 CA LEU A 43 3.243 -3.886 0.212 1.00 0.00 C ATOM 670 C LEU A 43 3.779 -3.177 1.451 1.00 0.00 C ATOM 671 O LEU A 43 3.806 -1.948 1.512 1.00 0.00 O ATOM 672 CB LEU A 43 1.930 -4.598 0.546 1.00 0.00 C ATOM 673 CG LEU A 43 0.911 -4.694 -0.590 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.169 -5.711 -0.254 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.294 -3.331 -0.869 1.00 0.00 C ATOM 0 H LEU A 43 3.868 -5.794 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 43 3.058 -3.139 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.163 -5.608 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.462 -4.081 1.384 1.00 0.00 H new ATOM 0 HG LEU A 43 1.428 -5.028 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.885 -5.766 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.287 -6.690 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.684 -5.407 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.429 -3.418 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.209 -2.969 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.077 -2.629 -1.155 1.00 0.00 H new ATOM 687 N GLN A 44 4.207 -3.960 2.436 1.00 0.00 N ATOM 688 CA GLN A 44 4.744 -3.407 3.673 1.00 0.00 C ATOM 689 C GLN A 44 5.876 -2.426 3.385 1.00 0.00 C ATOM 690 O GLN A 44 5.933 -1.342 3.963 1.00 0.00 O ATOM 691 CB GLN A 44 5.247 -4.529 4.583 1.00 0.00 C ATOM 692 CG GLN A 44 4.172 -5.539 4.954 1.00 0.00 C ATOM 693 CD GLN A 44 4.749 -6.836 5.486 1.00 0.00 C ATOM 694 OE1 GLN A 44 4.836 -7.843 4.625 1.00 0.00 O flip ATOM 695 NE2 GLN A 44 5.112 -6.933 6.659 1.00 0.00 N flip ATOM 0 H GLN A 44 4.192 -4.979 2.401 1.00 0.00 H new ATOM 0 HA GLN A 44 3.941 -2.870 4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.066 -5.049 4.086 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.653 -4.091 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.513 -5.103 5.705 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.560 -5.751 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.027 -6.134 7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.497 -7.813 7.003 1.00 0.00 H new ATOM 704 N GLY A 45 6.775 -2.815 2.486 1.00 0.00 N ATOM 705 CA GLY A 45 7.893 -1.958 2.137 1.00 0.00 C ATOM 706 C GLY A 45 7.456 -0.552 1.780 1.00 0.00 C ATOM 707 O GLY A 45 7.851 0.414 2.435 1.00 0.00 O ATOM 0 H GLY A 45 6.749 -3.708 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.590 -1.917 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.431 -2.393 1.295 1.00 0.00 H new ATOM 711 N LEU A 46 6.642 -0.433 0.738 1.00 0.00 N ATOM 712 CA LEU A 46 6.152 0.866 0.293 1.00 0.00 C ATOM 713 C LEU A 46 5.709 1.717 1.479 1.00 0.00 C ATOM 714 O LEU A 46 6.218 2.817 1.691 1.00 0.00 O ATOM 715 CB LEU A 46 4.988 0.688 -0.683 1.00 0.00 C ATOM 716 CG LEU A 46 5.299 -0.089 -1.964 1.00 0.00 C ATOM 717 CD1 LEU A 46 4.060 -0.819 -2.459 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.835 0.846 -3.038 1.00 0.00 C ATOM 0 H LEU A 46 6.307 -1.222 0.185 1.00 0.00 H new ATOM 0 HA LEU A 46 6.969 1.379 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.177 0.180 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.619 1.675 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 46 6.067 -0.830 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.300 -1.366 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.720 -1.518 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.271 -0.097 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.051 0.276 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.090 1.610 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.749 1.322 -2.683 1.00 0.00 H new ATOM 730 N ILE A 47 4.760 1.198 2.251 1.00 0.00 N ATOM 731 CA ILE A 47 4.252 1.908 3.418 1.00 0.00 C ATOM 732 C ILE A 47 5.352 2.725 4.086 1.00 0.00 C ATOM 733 O ILE A 47 5.200 3.924 4.311 1.00 0.00 O ATOM 734 CB ILE A 47 3.650 0.937 4.450 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.387 0.280 3.889 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.341 1.667 5.748 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.794 -0.769 4.803 1.00 0.00 C ATOM 0 H ILE A 47 4.328 0.288 2.089 1.00 0.00 H new ATOM 0 HA ILE A 47 3.469 2.579 3.063 1.00 0.00 H new ATOM 0 HB ILE A 47 4.381 0.156 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.639 1.051 3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.622 -0.178 2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.916 0.967 6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.259 2.092 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.626 2.467 5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.902 -1.192 4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.525 -1.560 4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.527 -0.312 5.756 1.00 0.00 H new ATOM 749 N GLY A 48 6.463 2.066 4.400 1.00 0.00 N ATOM 750 CA GLY A 48 7.574 2.746 5.039 1.00 0.00 C ATOM 751 C GLY A 48 7.737 4.174 4.554 1.00 0.00 C ATOM 752 O GLY A 48 7.691 5.114 5.347 1.00 0.00 O ATOM 0 H GLY A 48 6.613 1.073 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.423 2.747 6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.493 2.193 4.847 1.00 0.00 H new ATOM 756 N GLN A 49 7.926 4.335 3.248 1.00 0.00 N ATOM 757 CA GLN A 49 8.097 5.659 2.659 1.00 0.00 C ATOM 758 C GLN A 49 7.171 6.673 3.323 1.00 0.00 C ATOM 759 O GLN A 49 7.624 7.696 3.840 1.00 0.00 O ATOM 760 CB GLN A 49 7.825 5.609 1.155 1.00 0.00 C ATOM 761 CG GLN A 49 8.844 4.790 0.379 1.00 0.00 C ATOM 762 CD GLN A 49 8.284 4.239 -0.917 1.00 0.00 C ATOM 763 OE1 GLN A 49 7.134 4.503 -1.272 1.00 0.00 O ATOM 764 NE2 GLN A 49 9.094 3.467 -1.631 1.00 0.00 N ATOM 0 H GLN A 49 7.965 3.567 2.578 1.00 0.00 H new ATOM 0 HA GLN A 49 9.128 5.973 2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.832 5.191 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.814 6.626 0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.713 5.411 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.191 3.965 1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.039 3.275 -1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.771 3.066 -2.512 1.00 0.00 H new ATOM 773 N LEU A 50 5.876 6.385 3.304 1.00 0.00 N ATOM 774 CA LEU A 50 4.885 7.273 3.903 1.00 0.00 C ATOM 775 C LEU A 50 5.401 7.858 5.214 1.00 0.00 C ATOM 776 O LEU A 50 5.324 9.066 5.439 1.00 0.00 O ATOM 777 CB LEU A 50 3.577 6.518 4.149 1.00 0.00 C ATOM 778 CG LEU A 50 2.767 6.156 2.904 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.651 5.185 3.256 1.00 0.00 C ATOM 780 CD2 LEU A 50 2.200 7.410 2.254 1.00 0.00 C ATOM 0 H LEU A 50 5.486 5.543 2.880 1.00 0.00 H new ATOM 0 HA LEU A 50 4.700 8.092 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.807 5.599 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.949 7.123 4.803 1.00 0.00 H new ATOM 0 HG LEU A 50 3.432 5.669 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.086 4.939 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.080 4.275 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.987 5.644 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.626 7.134 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.550 7.925 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.017 8.071 1.965 1.00 0.00 H new ATOM 792 N ASP A 51 5.929 6.994 6.074 1.00 0.00 N ATOM 793 CA ASP A 51 6.462 7.426 7.361 1.00 0.00 C ATOM 794 C ASP A 51 7.370 8.641 7.194 1.00 0.00 C ATOM 795 O ASP A 51 7.319 9.579 7.987 1.00 0.00 O ATOM 796 CB ASP A 51 7.233 6.286 8.026 1.00 0.00 C ATOM 797 CG ASP A 51 6.346 5.101 8.355 1.00 0.00 C ATOM 798 OD1 ASP A 51 5.615 4.640 7.454 1.00 0.00 O ATOM 799 OD2 ASP A 51 6.382 4.635 9.513 1.00 0.00 O ATOM 0 H ASP A 51 5.999 5.991 5.903 1.00 0.00 H new ATOM 0 HA ASP A 51 5.623 7.707 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.037 5.962 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.699 6.652 8.941 1.00 0.00 H new ATOM 804 N GLU A 52 8.201 8.613 6.156 1.00 0.00 N ATOM 805 CA GLU A 52 9.122 9.712 5.887 1.00 0.00 C ATOM 806 C GLU A 52 8.372 11.036 5.782 1.00 0.00 C ATOM 807 O GLU A 52 8.781 12.042 6.362 1.00 0.00 O ATOM 808 CB GLU A 52 9.900 9.449 4.596 1.00 0.00 C ATOM 809 CG GLU A 52 10.829 8.250 4.677 1.00 0.00 C ATOM 810 CD GLU A 52 12.061 8.523 5.518 1.00 0.00 C ATOM 811 OE1 GLU A 52 12.712 9.565 5.294 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.374 7.696 6.398 1.00 0.00 O ATOM 0 H GLU A 52 8.255 7.843 5.489 1.00 0.00 H new ATOM 0 HA GLU A 52 9.824 9.777 6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.193 9.295 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.485 10.335 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.287 7.403 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.136 7.964 3.671 1.00 0.00 H new ATOM 819 N VAL A 53 7.272 11.030 5.036 1.00 0.00 N ATOM 820 CA VAL A 53 6.463 12.230 4.854 1.00 0.00 C ATOM 821 C VAL A 53 5.907 12.724 6.185 1.00 0.00 C ATOM 822 O VAL A 53 5.498 11.930 7.032 1.00 0.00 O ATOM 823 CB VAL A 53 5.295 11.978 3.884 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.412 13.212 3.779 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.818 11.569 2.515 1.00 0.00 C ATOM 0 H VAL A 53 6.920 10.207 4.547 1.00 0.00 H new ATOM 0 HA VAL A 53 7.118 12.992 4.431 1.00 0.00 H new ATOM 0 HB VAL A 53 4.690 11.160 4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.592 13.015 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.009 13.455 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.002 14.051 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.978 11.395 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.446 12.364 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.404 10.655 2.608 1.00 0.00 H new ATOM 941 N ILE A 61 -2.093 16.760 2.520 1.00 0.00 N ATOM 942 CA ILE A 61 -0.975 15.914 2.916 1.00 0.00 C ATOM 943 C ILE A 61 -1.294 15.141 4.192 1.00 0.00 C ATOM 944 O ILE A 61 -0.750 14.062 4.428 1.00 0.00 O ATOM 945 CB ILE A 61 0.307 16.740 3.138 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.898 17.173 1.794 1.00 0.00 C ATOM 947 CG2 ILE A 61 1.322 15.937 3.936 1.00 0.00 C ATOM 948 CD1 ILE A 61 0.065 18.209 1.073 1.00 0.00 C ATOM 0 HA ILE A 61 -0.808 15.211 2.100 1.00 0.00 H new ATOM 0 HB ILE A 61 0.053 17.634 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.898 17.573 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.006 16.297 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.222 16.534 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.897 15.674 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.575 15.027 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.544 18.468 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.928 17.805 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.022 19.101 1.693 1.00 0.00 H new ATOM 960 N ARG A 62 -2.181 15.699 5.008 1.00 0.00 N ATOM 961 CA ARG A 62 -2.575 15.062 6.260 1.00 0.00 C ATOM 962 C ARG A 62 -3.414 13.816 5.995 1.00 0.00 C ATOM 963 O ARG A 62 -3.116 12.736 6.503 1.00 0.00 O ATOM 964 CB ARG A 62 -3.359 16.044 7.132 1.00 0.00 C ATOM 965 CG ARG A 62 -4.103 15.379 8.279 1.00 0.00 C ATOM 966 CD ARG A 62 -4.740 16.408 9.200 1.00 0.00 C ATOM 967 NE ARG A 62 -3.762 17.028 10.088 1.00 0.00 N ATOM 968 CZ ARG A 62 -4.015 18.105 10.824 1.00 0.00 C ATOM 969 NH1 ARG A 62 -5.210 18.677 10.777 1.00 0.00 N ATOM 970 NH2 ARG A 62 -3.072 18.611 11.609 1.00 0.00 N ATOM 0 H ARG A 62 -2.641 16.591 4.826 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.669 14.763 6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.671 16.786 7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.074 16.580 6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.874 14.719 7.880 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.414 14.756 8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.226 17.179 8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.518 15.929 9.795 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.833 16.612 10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.937 18.290 10.175 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.402 19.504 11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.152 18.173 11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.268 19.438 12.173 1.00 0.00 H new ATOM 984 N GLU A 63 -4.466 13.976 5.198 1.00 0.00 N ATOM 985 CA GLU A 63 -5.349 12.864 4.868 1.00 0.00 C ATOM 986 C GLU A 63 -4.675 11.904 3.892 1.00 0.00 C ATOM 987 O GLU A 63 -4.599 10.702 4.141 1.00 0.00 O ATOM 988 CB GLU A 63 -6.657 13.384 4.266 1.00 0.00 C ATOM 989 CG GLU A 63 -7.783 12.363 4.282 1.00 0.00 C ATOM 990 CD GLU A 63 -8.373 12.167 5.665 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.223 12.987 6.069 1.00 0.00 O ATOM 992 OE2 GLU A 63 -7.985 11.192 6.341 1.00 0.00 O ATOM 0 H GLU A 63 -4.727 14.864 4.769 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.569 12.324 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.973 14.270 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.475 13.696 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.569 12.683 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.408 11.409 3.912 1.00 0.00 H new ATOM 999 N ALA A 64 -4.186 12.446 2.781 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.516 11.638 1.769 1.00 0.00 C ATOM 1001 C ALA A 64 -2.543 10.653 2.408 1.00 0.00 C ATOM 1002 O ALA A 64 -2.494 9.482 2.030 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.788 12.533 0.777 1.00 0.00 C ATOM 0 H ALA A 64 -4.241 13.440 2.559 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.275 11.065 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.292 11.917 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.505 13.193 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.045 13.131 1.304 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.772 11.134 3.377 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.799 10.296 4.068 1.00 0.00 C ATOM 1011 C ARG A 65 -1.498 9.213 4.886 1.00 0.00 C ATOM 1012 O ARG A 65 -1.136 8.038 4.817 1.00 0.00 O ATOM 1013 CB ARG A 65 0.086 11.148 4.979 1.00 0.00 C ATOM 1014 CG ARG A 65 0.977 10.331 5.899 1.00 0.00 C ATOM 1015 CD ARG A 65 1.787 11.223 6.826 1.00 0.00 C ATOM 1016 NE ARG A 65 2.394 10.469 7.919 1.00 0.00 N ATOM 1017 CZ ARG A 65 2.937 11.037 8.991 1.00 0.00 C ATOM 1018 NH1 ARG A 65 2.948 12.357 9.113 1.00 0.00 N ATOM 1019 NH2 ARG A 65 3.470 10.283 9.944 1.00 0.00 N ATOM 0 H ARG A 65 -1.802 12.100 3.702 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.174 9.813 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.710 11.795 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.548 11.797 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.364 9.651 6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.651 9.716 5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.568 11.725 6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.142 12.000 7.236 1.00 0.00 H new ATOM 0 HE ARG A 65 2.402 9.451 7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.539 12.940 8.383 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.366 12.790 9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.463 9.267 9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.887 10.719 10.766 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.500 9.619 5.660 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.247 8.684 6.493 1.00 0.00 C ATOM 1035 C ARG A 66 -4.057 7.718 5.634 1.00 0.00 C ATOM 1036 O ARG A 66 -3.792 6.516 5.614 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.177 9.445 7.440 1.00 0.00 C ATOM 1038 CG ARG A 66 -4.597 8.638 8.659 1.00 0.00 C ATOM 1039 CD ARG A 66 -3.533 8.675 9.743 1.00 0.00 C ATOM 1040 NE ARG A 66 -3.841 7.765 10.844 1.00 0.00 N ATOM 1041 CZ ARG A 66 -3.056 7.600 11.903 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -1.923 8.281 12.005 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -3.406 6.754 12.863 1.00 0.00 N ATOM 0 H ARG A 66 -2.813 10.588 5.727 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.533 8.108 7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.678 10.356 7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.068 9.751 6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.534 9.032 9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.784 7.605 8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.568 8.409 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.442 9.691 10.127 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.706 7.227 10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.652 8.934 11.269 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.322 8.152 12.819 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.278 6.230 12.788 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.803 6.627 13.676 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.047 8.252 4.925 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.897 7.436 4.065 1.00 0.00 C ATOM 1059 C ARG A 67 -5.100 6.299 3.433 1.00 0.00 C ATOM 1060 O ARG A 67 -5.456 5.129 3.569 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.530 8.300 2.972 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.352 7.507 1.969 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.945 8.408 0.898 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.464 7.645 -0.234 1.00 0.00 N ATOM 1065 CZ ARG A 67 -8.974 8.204 -1.325 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -9.032 9.523 -1.433 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -9.427 7.441 -2.313 1.00 0.00 N ATOM 0 H ARG A 67 -5.280 9.245 4.929 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.686 7.004 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.167 9.051 3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.742 8.835 2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.724 6.749 1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.153 6.981 2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.747 9.006 1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.183 9.104 0.547 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.433 6.627 -0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.684 10.112 -0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.424 9.949 -2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.383 6.425 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.819 7.871 -3.151 1.00 0.00 H new ATOM 1081 N ALA A 68 -4.021 6.653 2.743 1.00 0.00 N ATOM 1082 CA ALA A 68 -3.173 5.662 2.091 1.00 0.00 C ATOM 1083 C ALA A 68 -2.904 4.478 3.014 1.00 0.00 C ATOM 1084 O ALA A 68 -3.077 3.323 2.625 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.864 6.297 1.648 1.00 0.00 C ATOM 0 H ALA A 68 -3.713 7.618 2.621 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.699 5.291 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.241 5.546 1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.071 7.105 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.341 6.696 2.517 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.478 4.774 4.238 1.00 0.00 N ATOM 1092 CA VAL A 69 -2.184 3.733 5.217 1.00 0.00 C ATOM 1093 C VAL A 69 -3.265 2.657 5.217 1.00 0.00 C ATOM 1094 O VAL A 69 -2.968 1.465 5.146 1.00 0.00 O ATOM 1095 CB VAL A 69 -2.058 4.317 6.636 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.793 3.212 7.647 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.959 5.368 6.683 1.00 0.00 C ATOM 0 H VAL A 69 -2.329 5.725 4.575 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.232 3.288 4.929 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.001 4.797 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.707 3.644 8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.617 2.499 7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.865 2.700 7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.883 5.770 7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.009 4.914 6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.196 6.174 5.988 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.520 3.088 5.295 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.645 2.161 5.302 1.00 0.00 C ATOM 1109 C ILE A 70 -5.846 1.530 3.929 1.00 0.00 C ATOM 1110 O ILE A 70 -6.067 0.324 3.816 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.948 2.862 5.729 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.803 3.445 7.136 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -8.116 1.888 5.672 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -6.033 4.747 7.173 1.00 0.00 C ATOM 0 H ILE A 70 -4.783 4.072 5.354 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.407 1.381 6.026 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.147 3.680 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.795 3.607 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.301 2.717 7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -9.030 2.398 5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.230 1.516 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.926 1.052 6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.969 5.103 8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.029 4.587 6.781 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.546 5.491 6.563 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.768 2.353 2.888 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.939 1.874 1.522 1.00 0.00 C ATOM 1128 C GLU A 71 -4.894 0.816 1.179 1.00 0.00 C ATOM 1129 O GLU A 71 -5.098 -0.010 0.290 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.845 3.039 0.533 1.00 0.00 C ATOM 1131 CG GLU A 71 -7.182 3.701 0.244 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.999 3.939 1.498 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.502 4.635 2.408 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -9.136 3.429 1.570 1.00 0.00 O ATOM 0 H GLU A 71 -5.588 3.354 2.965 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.927 1.420 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.157 3.786 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.418 2.677 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.011 4.653 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.752 3.075 -0.443 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.773 0.849 1.893 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.695 -0.106 1.666 1.00 0.00 C ATOM 1143 C VAL A 72 -2.740 -1.238 2.687 1.00 0.00 C ATOM 1144 O VAL A 72 -2.440 -2.388 2.367 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.317 0.577 1.734 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.204 -0.444 1.549 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -1.217 1.680 0.692 1.00 0.00 C ATOM 0 H VAL A 72 -3.588 1.526 2.633 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.840 -0.516 0.666 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.204 1.028 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.762 0.058 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.265 -1.195 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.311 -0.927 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.236 2.152 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.352 1.254 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.991 2.425 0.876 1.00 0.00 H new ATOM 1157 N GLN A 73 -3.117 -0.904 3.917 1.00 0.00 N ATOM 1158 CA GLN A 73 -3.201 -1.893 4.985 1.00 0.00 C ATOM 1159 C GLN A 73 -4.307 -2.904 4.705 1.00 0.00 C ATOM 1160 O GLN A 73 -4.131 -4.106 4.911 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.452 -1.203 6.328 1.00 0.00 C ATOM 1162 CG GLN A 73 -2.177 -0.820 7.062 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.566 -1.984 7.817 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -2.156 -3.060 7.906 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -0.375 -1.773 8.367 1.00 0.00 N ATOM 0 H GLN A 73 -3.369 0.043 4.198 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.251 -2.425 5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.048 -0.306 6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.042 -1.864 6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.451 -0.436 6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.393 -0.012 7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.079 -0.865 8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.086 -2.519 8.888 1.00 0.00 H new ATOM 1174 N THR A 74 -5.448 -2.411 4.234 1.00 0.00 N ATOM 1175 CA THR A 74 -6.584 -3.272 3.926 1.00 0.00 C ATOM 1176 C THR A 74 -6.138 -4.524 3.182 1.00 0.00 C ATOM 1177 O THR A 74 -6.650 -5.619 3.426 1.00 0.00 O ATOM 1178 CB THR A 74 -7.635 -2.532 3.079 1.00 0.00 C ATOM 1179 OG1 THR A 74 -8.914 -3.159 3.228 1.00 0.00 O ATOM 1180 CG2 THR A 74 -7.238 -2.522 1.610 1.00 0.00 C ATOM 0 H THR A 74 -5.610 -1.420 4.057 1.00 0.00 H new ATOM 0 HA THR A 74 -7.031 -3.559 4.878 1.00 0.00 H new ATOM 0 HB THR A 74 -7.692 -1.502 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.577 -2.681 2.687 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.996 -1.994 1.032 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.278 -2.018 1.496 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.155 -3.547 1.249 1.00 0.00 H new ATOM 1188 N LEU A 75 -5.183 -4.360 2.275 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.666 -5.480 1.494 1.00 0.00 C ATOM 1190 C LEU A 75 -3.926 -6.470 2.387 1.00 0.00 C ATOM 1191 O LEU A 75 -4.215 -7.667 2.376 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.735 -4.972 0.392 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.413 -4.487 -0.889 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.419 -3.749 -1.773 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -5.032 -5.656 -1.641 1.00 0.00 C ATOM 0 H LEU A 75 -4.750 -3.462 2.061 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.511 -5.994 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.139 -4.154 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.042 -5.772 0.132 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.209 -3.794 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.920 -3.411 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.023 -2.888 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.601 -4.419 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.510 -5.292 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.254 -6.373 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.776 -6.142 -1.010 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.971 -5.962 3.159 1.00 0.00 N ATOM 1208 CA ILE A 76 -2.191 -6.802 4.060 1.00 0.00 C ATOM 1209 C ILE A 76 -3.088 -7.775 4.819 1.00 0.00 C ATOM 1210 O ILE A 76 -2.797 -8.968 4.903 1.00 0.00 O ATOM 1211 CB ILE A 76 -1.398 -5.955 5.073 1.00 0.00 C ATOM 1212 CG1 ILE A 76 -0.438 -5.015 4.343 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.637 -6.855 6.036 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.094 -3.898 5.214 1.00 0.00 C ATOM 0 H ILE A 76 -2.719 -4.974 3.179 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.491 -7.364 3.442 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.100 -5.352 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.401 -5.594 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.950 -4.582 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.082 -6.242 6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.341 -7.487 6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.058 -7.482 5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.768 -3.271 4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.737 -3.295 5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.635 -4.322 6.060 1.00 0.00 H new ATOM 1226 N THR A 77 -4.182 -7.257 5.370 1.00 0.00 N ATOM 1227 CA THR A 77 -5.121 -8.079 6.121 1.00 0.00 C ATOM 1228 C THR A 77 -5.767 -9.131 5.227 1.00 0.00 C ATOM 1229 O THR A 77 -5.898 -10.293 5.615 1.00 0.00 O ATOM 1230 CB THR A 77 -6.226 -7.220 6.766 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.644 -6.242 7.634 1.00 0.00 O ATOM 1232 CG2 THR A 77 -7.197 -8.090 7.552 1.00 0.00 C ATOM 0 H THR A 77 -4.439 -6.272 5.310 1.00 0.00 H new ATOM 0 HA THR A 77 -4.551 -8.575 6.907 1.00 0.00 H new ATOM 0 HB THR A 77 -6.775 -6.716 5.970 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.353 -5.700 8.038 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.968 -7.462 7.998 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.661 -8.814 6.882 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.658 -8.617 8.339 1.00 0.00 H new ATOM 1240 N TYR A 78 -6.169 -8.719 4.031 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.804 -9.627 3.082 1.00 0.00 C ATOM 1242 C TYR A 78 -5.973 -10.893 2.902 1.00 0.00 C ATOM 1243 O TYR A 78 -6.481 -12.006 3.035 1.00 0.00 O ATOM 1244 CB TYR A 78 -6.998 -8.933 1.732 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.331 -9.886 0.605 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.572 -10.506 0.537 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.403 -10.164 -0.392 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.879 -11.376 -0.491 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.702 -11.031 -1.423 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.942 -11.636 -1.468 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.244 -12.502 -2.494 1.00 0.00 O ATOM 0 H TYR A 78 -6.067 -7.762 3.694 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.779 -9.908 3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.797 -8.197 1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.089 -8.387 1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.309 -10.305 1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.431 -9.693 -0.359 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.849 -11.850 -0.529 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.970 -11.235 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.476 -12.574 -3.098 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.691 -10.713 2.597 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.789 -11.841 2.400 1.00 0.00 C ATOM 1263 C ILE A 79 -3.559 -12.596 3.703 1.00 0.00 C ATOM 1264 O ILE A 79 -3.697 -13.818 3.759 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.430 -11.381 1.838 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.623 -10.648 0.510 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.501 -12.573 1.662 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.497 -9.695 0.176 1.00 0.00 C ATOM 0 H ILE A 79 -4.255 -9.798 2.481 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.266 -12.505 1.679 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.974 -10.691 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.716 -11.382 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.560 -10.092 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.545 -12.233 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.342 -13.056 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.950 -13.285 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.701 -9.211 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.417 -8.938 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.560 -10.248 0.109 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.209 -11.861 4.753 1.00 0.00 N ATOM 1281 CA ASP A 80 -2.962 -12.460 6.060 1.00 0.00 C ATOM 1282 C ASP A 80 -3.916 -13.624 6.311 1.00 0.00 C ATOM 1283 O ASP A 80 -3.498 -14.701 6.737 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.115 -11.412 7.162 1.00 0.00 C ATOM 1285 CG ASP A 80 -2.424 -11.821 8.449 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -1.358 -12.468 8.371 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -2.950 -11.494 9.533 1.00 0.00 O ATOM 0 H ASP A 80 -3.090 -10.848 4.725 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.941 -12.841 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.703 -10.463 6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.174 -11.247 7.358 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.197 -13.399 6.047 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.212 -14.429 6.246 1.00 0.00 C ATOM 1294 C LEU A 81 -6.018 -15.581 5.266 1.00 0.00 C ATOM 1295 O LEU A 81 -5.780 -16.720 5.667 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.611 -13.834 6.081 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.086 -12.914 7.207 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -9.327 -12.145 6.780 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -8.362 -13.717 8.470 1.00 0.00 C ATOM 0 H LEU A 81 -5.559 -12.513 5.695 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.107 -14.817 7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.638 -13.275 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.323 -14.653 5.983 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.295 -12.196 7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.651 -11.496 7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.096 -11.540 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.125 -12.847 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.699 -13.047 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.135 -14.458 8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.449 -14.222 8.787 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.120 -15.277 3.976 1.00 0.00 N ATOM 1312 CA LYS A 82 -5.952 -16.285 2.935 1.00 0.00 C ATOM 1313 C LYS A 82 -4.691 -17.108 3.175 1.00 0.00 C ATOM 1314 O LYS A 82 -4.756 -18.326 3.342 1.00 0.00 O ATOM 1315 CB LYS A 82 -5.887 -15.621 1.559 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.244 -15.462 0.895 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.020 -14.295 1.484 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.517 -14.462 1.281 1.00 0.00 C ATOM 1319 NZ LYS A 82 -9.908 -14.283 -0.146 1.00 0.00 N ATOM 0 H LYS A 82 -6.318 -14.340 3.626 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.813 -16.953 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.424 -14.639 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.241 -16.212 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.110 -15.308 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.819 -16.380 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.803 -14.213 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.690 -13.366 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.821 -15.453 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.050 -13.738 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.935 -14.134 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.414 -13.457 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.648 -15.133 -0.686 1.00 0.00 H new ATOM 1333 N GLU A 83 -3.544 -16.436 3.189 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.269 -17.108 3.408 1.00 0.00 C ATOM 1335 C GLU A 83 -2.420 -18.251 4.408 1.00 0.00 C ATOM 1336 O GLU A 83 -2.000 -19.378 4.147 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.222 -16.111 3.910 1.00 0.00 C ATOM 1338 CG GLU A 83 0.203 -16.486 3.540 1.00 0.00 C ATOM 1339 CD GLU A 83 1.220 -15.983 4.547 1.00 0.00 C ATOM 1340 OE1 GLU A 83 1.014 -14.880 5.096 1.00 0.00 O ATOM 1341 OE2 GLU A 83 2.220 -16.691 4.787 1.00 0.00 O ATOM 0 H GLU A 83 -3.472 -15.428 3.051 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.938 -17.523 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.447 -15.125 3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.298 -16.033 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.281 -17.570 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.438 -16.078 2.557 1.00 0.00 H new