USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 988 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 128 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 129 GLN : amide:sc= -6.51! C(o=-6.5!,f=-9.4!) USER MOD Set 2.1: A 37 SER OG : rot -173:sc= 0.119 USER MOD Set 2.2: A 117 GLN : amide:sc= -0.976 K(o=-0.86,f=-3.9!) USER MOD Set 3.1: A 19 CYS SG : rot 46:sc= 0.648 USER MOD Set 3.2: A 106 TYR OH : rot 178:sc= 0.00978 USER MOD Set 4.1: A 86 ASN :FLIP amide:sc= -4.75! C(o=-13!,f=-4.8!) USER MOD Set 4.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 132:sc= -4.28! USER MOD Single : A 35 GLN : amide:sc= -0.784 K(o=-0.78,f=-2.6!) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -2.06 F(o=-4.4!,f=-2.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.5 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -2.98! (180deg=-4.99!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -3.55! C(o=-8.6!,f=-3.6!) USER MOD Single : A 59 THR OG1 : rot 81:sc= -3.48! USER MOD Single : A 64 THR OG1 : rot 69:sc= -2.22! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -5.19! C(o=-7.7!,f=-5.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 175:sc= -10.3! (180deg=-11.2!) USER MOD Single : A 98 TYR OH : rot -177:sc= 0.0373 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS :FLIP no HD1:sc= -2.09! C(o=-2.8!,f=-2.1!) USER MOD Single : A 116 HIS : no HD1:sc= -8.21! C(o=-8.2!,f=-12!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= 0.0404 X(o=0.04,f=0) USER MOD Single : A 134 LYS NZ :NH3+ -134:sc= -0.0703 (180deg=-0.49) USER MOD Single : A 136 MET CE :methyl 154:sc= -3.81! (180deg=-6.38!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 GLN :FLIP amide:sc=-0.00125 F(o=-1.4!,f=-0.0012) USER MOD Single : A 144 HIS : no HE2:sc= -14.4! C(o=-14!,f=-22!) USER MOD Single : A 145 GLN : amide:sc= -0.0225 K(o=-0.022,f=-1.8!) USER MOD Single : A 148 CYS SG : rot 71:sc= 0.79 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ARG A 9 11.632 -3.881 -7.065 1.00 0.00 N ATOM 106 CA ARG A 9 10.861 -2.766 -7.661 1.00 0.00 C ATOM 107 C ARG A 9 9.882 -3.339 -8.675 1.00 0.00 C ATOM 108 O ARG A 9 10.249 -4.091 -9.556 1.00 0.00 O ATOM 109 CB ARG A 9 11.813 -1.785 -8.339 1.00 0.00 C ATOM 110 CG ARG A 9 11.225 -1.326 -9.674 1.00 0.00 C ATOM 111 CD ARG A 9 12.068 -0.175 -10.218 1.00 0.00 C ATOM 112 NE ARG A 9 13.430 -0.678 -10.554 1.00 0.00 N ATOM 113 CZ ARG A 9 14.276 0.099 -11.169 1.00 0.00 C ATOM 114 NH1 ARG A 9 13.936 1.316 -11.487 1.00 0.00 N ATOM 115 NH2 ARG A 9 15.468 -0.339 -11.465 1.00 0.00 N ATOM 0 HA ARG A 9 10.312 -2.233 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.984 -0.925 -7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.781 -2.258 -8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.213 -2.153 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.192 -1.006 -9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.596 0.250 -11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.135 0.623 -9.479 1.00 0.00 H new ATOM 0 HE ARG A 9 13.700 -1.629 -10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.005 1.663 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.600 1.922 -11.968 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.738 -1.290 -11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.130 0.270 -11.946 1.00 0.00 H new ATOM 129 N ALA A 10 8.638 -2.993 -8.552 1.00 0.00 N ATOM 130 CA ALA A 10 7.624 -3.514 -9.495 1.00 0.00 C ATOM 131 C ALA A 10 6.894 -2.340 -10.128 1.00 0.00 C ATOM 132 O ALA A 10 7.087 -1.203 -9.749 1.00 0.00 O ATOM 133 CB ALA A 10 6.619 -4.366 -8.731 1.00 0.00 C ATOM 0 H ALA A 10 8.278 -2.366 -7.832 1.00 0.00 H new ATOM 0 HA ALA A 10 8.108 -4.115 -10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.870 -4.752 -9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.136 -5.199 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.131 -3.758 -7.969 1.00 0.00 H new ATOM 139 N CYS A 11 6.048 -2.597 -11.077 1.00 0.00 N ATOM 140 CA CYS A 11 5.308 -1.479 -11.706 1.00 0.00 C ATOM 141 C CYS A 11 3.886 -1.925 -12.021 1.00 0.00 C ATOM 142 O CYS A 11 3.640 -3.062 -12.369 1.00 0.00 O ATOM 143 CB CYS A 11 6.008 -1.048 -12.989 1.00 0.00 C ATOM 144 SG CYS A 11 7.767 -0.783 -12.654 1.00 0.00 S ATOM 0 H CYS A 11 5.838 -3.526 -11.442 1.00 0.00 H new ATOM 0 HA CYS A 11 5.280 -0.635 -11.017 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.884 -1.811 -13.758 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.557 -0.132 -13.372 1.00 0.00 H new ATOM 0 HG CYS A 11 8.477 -1.381 -13.564 1.00 0.00 H new ATOM 150 N GLY A 12 2.950 -1.033 -11.901 1.00 0.00 N ATOM 151 CA GLY A 12 1.537 -1.394 -12.198 1.00 0.00 C ATOM 152 C GLY A 12 0.855 -0.219 -12.889 1.00 0.00 C ATOM 153 O GLY A 12 1.377 0.876 -12.932 1.00 0.00 O ATOM 0 H GLY A 12 3.100 -0.067 -11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.501 -2.277 -12.836 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.012 -1.644 -11.276 1.00 0.00 H new ATOM 157 N LEU A 13 -0.312 -0.434 -13.427 1.00 0.00 N ATOM 158 CA LEU A 13 -1.025 0.681 -14.106 1.00 0.00 C ATOM 159 C LEU A 13 -2.340 0.948 -13.389 1.00 0.00 C ATOM 160 O LEU A 13 -3.176 0.073 -13.297 1.00 0.00 O ATOM 161 CB LEU A 13 -1.385 0.285 -15.540 1.00 0.00 C ATOM 162 CG LEU A 13 -0.155 -0.136 -16.335 1.00 0.00 C ATOM 163 CD1 LEU A 13 -0.568 -0.292 -17.798 1.00 0.00 C ATOM 164 CD2 LEU A 13 0.926 0.932 -16.233 1.00 0.00 C ATOM 0 H LEU A 13 -0.801 -1.329 -13.426 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.374 1.555 -14.096 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.104 -0.534 -15.522 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.870 1.124 -16.038 1.00 0.00 H new ATOM 0 HG LEU A 13 0.238 -1.073 -15.940 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.296 -0.593 -18.390 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.345 -1.052 -17.878 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.950 0.658 -18.172 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.800 0.621 -16.805 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.547 1.873 -16.633 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.205 1.068 -15.188 1.00 0.00 H new ATOM 176 N ILE A 14 -2.589 2.144 -12.941 1.00 0.00 N ATOM 177 CA ILE A 14 -3.914 2.370 -12.328 1.00 0.00 C ATOM 178 C ILE A 14 -4.887 2.266 -13.493 1.00 0.00 C ATOM 179 O ILE A 14 -5.182 3.230 -14.168 1.00 0.00 O ATOM 180 CB ILE A 14 -3.999 3.754 -11.646 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.131 3.572 -10.130 1.00 0.00 C ATOM 182 CG2 ILE A 14 -5.226 4.535 -12.138 1.00 0.00 C ATOM 183 CD1 ILE A 14 -2.751 3.386 -9.504 1.00 0.00 C ATOM 0 H ILE A 14 -1.957 2.944 -12.971 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.130 1.650 -11.539 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.093 4.306 -11.894 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.624 4.440 -9.693 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.758 2.707 -9.913 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.262 5.505 -11.643 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.157 4.680 -13.216 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.131 3.975 -11.905 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.855 3.257 -8.427 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.274 2.504 -9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.138 4.264 -9.707 1.00 0.00 H new ATOM 195 N ILE A 15 -5.355 1.089 -13.777 1.00 0.00 N ATOM 196 CA ILE A 15 -6.268 0.945 -14.933 1.00 0.00 C ATOM 197 C ILE A 15 -7.598 1.586 -14.597 1.00 0.00 C ATOM 198 O ILE A 15 -8.133 1.412 -13.522 1.00 0.00 O ATOM 199 CB ILE A 15 -6.496 -0.520 -15.273 1.00 0.00 C ATOM 200 CG1 ILE A 15 -5.220 -1.114 -15.882 1.00 0.00 C ATOM 201 CG2 ILE A 15 -7.653 -0.614 -16.271 1.00 0.00 C ATOM 202 CD1 ILE A 15 -5.515 -2.514 -16.428 1.00 0.00 C ATOM 0 H ILE A 15 -5.148 0.231 -13.266 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.813 1.434 -15.794 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.743 -1.081 -14.372 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.853 -0.471 -16.682 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.435 -1.165 -15.128 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.830 -1.659 -16.526 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.553 -0.192 -15.825 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.401 -0.058 -17.174 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.607 -2.935 -16.860 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.862 -3.155 -15.617 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.287 -2.450 -17.195 1.00 0.00 H new ATOM 214 N PHE A 16 -8.140 2.325 -15.510 1.00 0.00 N ATOM 215 CA PHE A 16 -9.437 2.972 -15.242 1.00 0.00 C ATOM 216 C PHE A 16 -10.178 3.176 -16.558 1.00 0.00 C ATOM 217 O PHE A 16 -9.580 3.292 -17.608 1.00 0.00 O ATOM 218 CB PHE A 16 -9.200 4.328 -14.585 1.00 0.00 C ATOM 219 CG PHE A 16 -8.700 5.304 -15.615 1.00 0.00 C ATOM 220 CD1 PHE A 16 -9.613 5.995 -16.413 1.00 0.00 C ATOM 221 CD2 PHE A 16 -7.326 5.530 -15.758 1.00 0.00 C ATOM 222 CE1 PHE A 16 -9.158 6.915 -17.358 1.00 0.00 C ATOM 223 CE2 PHE A 16 -6.866 6.449 -16.706 1.00 0.00 C ATOM 224 CZ PHE A 16 -7.783 7.145 -17.507 1.00 0.00 C ATOM 0 H PHE A 16 -7.740 2.508 -16.430 1.00 0.00 H new ATOM 0 HA PHE A 16 -10.030 2.342 -14.579 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.125 4.695 -14.140 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.474 4.231 -13.778 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.672 5.817 -16.299 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.622 4.995 -15.137 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.865 7.450 -17.975 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.806 6.623 -16.821 1.00 0.00 H new ATOM 0 HZ PHE A 16 -7.430 7.858 -18.238 1.00 0.00 H new ATOM 234 N ARG A 17 -11.470 3.238 -16.503 1.00 0.00 N ATOM 235 CA ARG A 17 -12.255 3.458 -17.741 1.00 0.00 C ATOM 236 C ARG A 17 -13.214 4.619 -17.502 1.00 0.00 C ATOM 237 O ARG A 17 -13.926 4.654 -16.519 1.00 0.00 O ATOM 238 CB ARG A 17 -13.035 2.184 -18.084 1.00 0.00 C ATOM 239 CG ARG A 17 -14.036 2.464 -19.216 1.00 0.00 C ATOM 240 CD ARG A 17 -13.298 2.741 -20.528 1.00 0.00 C ATOM 241 NE ARG A 17 -14.247 3.358 -21.498 1.00 0.00 N ATOM 242 CZ ARG A 17 -13.985 3.339 -22.777 1.00 0.00 C ATOM 243 NH1 ARG A 17 -12.892 2.776 -23.210 1.00 0.00 N ATOM 244 NH2 ARG A 17 -14.819 3.880 -23.623 1.00 0.00 N ATOM 0 H ARG A 17 -12.021 3.145 -15.650 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.594 3.695 -18.575 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.345 1.396 -18.386 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.564 1.824 -17.202 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.702 1.610 -19.340 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.659 3.319 -18.955 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.454 3.407 -20.352 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.893 1.814 -20.935 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.104 3.797 -21.161 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.241 2.350 -22.550 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.687 2.761 -24.209 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.676 4.318 -23.285 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.614 3.865 -24.622 1.00 0.00 H new ATOM 258 N ARG A 18 -13.233 5.578 -18.384 1.00 0.00 N ATOM 259 CA ARG A 18 -14.144 6.735 -18.187 1.00 0.00 C ATOM 260 C ARG A 18 -15.388 6.567 -19.055 1.00 0.00 C ATOM 261 O ARG A 18 -15.305 6.247 -20.224 1.00 0.00 O ATOM 262 CB ARG A 18 -13.410 8.027 -18.541 1.00 0.00 C ATOM 263 CG ARG A 18 -13.004 8.009 -20.012 1.00 0.00 C ATOM 264 CD ARG A 18 -11.902 9.041 -20.233 1.00 0.00 C ATOM 265 NE ARG A 18 -11.824 9.386 -21.679 1.00 0.00 N ATOM 266 CZ ARG A 18 -10.940 10.253 -22.092 1.00 0.00 C ATOM 267 NH1 ARG A 18 -10.114 10.801 -21.243 1.00 0.00 N ATOM 268 NH2 ARG A 18 -10.881 10.569 -23.357 1.00 0.00 N ATOM 0 H ARG A 18 -12.660 5.610 -19.227 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.456 6.783 -17.144 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.051 8.886 -18.343 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.526 8.137 -17.912 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.653 7.016 -20.294 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.864 8.234 -20.643 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.105 9.936 -19.646 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.946 8.646 -19.891 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.459 8.946 -22.345 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.159 10.552 -20.255 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.424 11.478 -21.568 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.525 10.139 -24.021 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.191 11.246 -23.682 1.00 0.00 H new ATOM 282 N CYS A 19 -16.546 6.773 -18.487 1.00 0.00 N ATOM 283 CA CYS A 19 -17.799 6.615 -19.274 1.00 0.00 C ATOM 284 C CYS A 19 -18.214 7.966 -19.856 1.00 0.00 C ATOM 285 O CYS A 19 -17.558 8.970 -19.667 1.00 0.00 O ATOM 286 CB CYS A 19 -18.922 6.094 -18.375 1.00 0.00 C ATOM 287 SG CYS A 19 -18.227 5.020 -17.095 1.00 0.00 S ATOM 0 H CYS A 19 -16.676 7.044 -17.512 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.620 5.903 -20.080 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -19.451 6.929 -17.915 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -19.651 5.543 -18.969 1.00 0.00 H new ATOM 0 HG CYS A 19 -17.182 5.589 -16.571 1.00 0.00 H new ATOM 424 N ALA A 28 -18.261 8.616 -14.111 1.00 0.00 N ATOM 425 CA ALA A 28 -17.821 8.247 -15.481 1.00 0.00 C ATOM 426 C ALA A 28 -16.488 7.505 -15.395 1.00 0.00 C ATOM 427 O ALA A 28 -16.198 6.643 -16.196 1.00 0.00 O ATOM 428 CB ALA A 28 -17.644 9.513 -16.323 1.00 0.00 C ATOM 0 HA ALA A 28 -18.571 7.607 -15.946 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.321 9.240 -17.328 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.592 10.048 -16.379 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.893 10.154 -15.862 1.00 0.00 H new ATOM 434 N ILE A 29 -15.673 7.841 -14.429 1.00 0.00 N ATOM 435 CA ILE A 29 -14.345 7.169 -14.295 1.00 0.00 C ATOM 436 C ILE A 29 -14.382 6.112 -13.191 1.00 0.00 C ATOM 437 O ILE A 29 -14.863 6.344 -12.101 1.00 0.00 O ATOM 438 CB ILE A 29 -13.280 8.217 -13.964 1.00 0.00 C ATOM 439 CG1 ILE A 29 -13.235 9.264 -15.091 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.920 7.529 -13.816 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.821 9.367 -15.673 1.00 0.00 C ATOM 0 H ILE A 29 -15.870 8.553 -13.726 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.104 6.677 -15.237 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.524 8.716 -13.026 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.939 8.991 -15.877 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.548 10.235 -14.706 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.159 8.273 -13.580 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.970 6.794 -13.013 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.661 7.029 -14.750 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.808 10.112 -16.469 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.125 9.663 -14.888 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.523 8.400 -16.077 1.00 0.00 H new ATOM 453 N GLU A 30 -13.865 4.947 -13.477 1.00 0.00 N ATOM 454 CA GLU A 30 -13.851 3.858 -12.464 1.00 0.00 C ATOM 455 C GLU A 30 -12.460 3.224 -12.433 1.00 0.00 C ATOM 456 O GLU A 30 -11.726 3.287 -13.397 1.00 0.00 O ATOM 457 CB GLU A 30 -14.894 2.802 -12.846 1.00 0.00 C ATOM 458 CG GLU A 30 -16.287 3.435 -12.848 1.00 0.00 C ATOM 459 CD GLU A 30 -17.334 2.368 -13.181 1.00 0.00 C ATOM 460 OE1 GLU A 30 -18.510 2.648 -13.020 1.00 0.00 O ATOM 461 OE2 GLU A 30 -16.942 1.289 -13.592 1.00 0.00 O ATOM 0 H GLU A 30 -13.449 4.704 -14.376 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.089 4.260 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.668 2.392 -13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.862 1.972 -12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.499 3.876 -11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.330 4.242 -13.579 1.00 0.00 H new ATOM 469 N PHE A 31 -12.089 2.611 -11.340 1.00 0.00 N ATOM 470 CA PHE A 31 -10.738 1.981 -11.273 1.00 0.00 C ATOM 471 C PHE A 31 -10.864 0.465 -11.288 1.00 0.00 C ATOM 472 O PHE A 31 -11.779 -0.106 -10.726 1.00 0.00 O ATOM 473 CB PHE A 31 -10.024 2.383 -9.986 1.00 0.00 C ATOM 474 CG PHE A 31 -9.695 3.853 -10.001 1.00 0.00 C ATOM 475 CD1 PHE A 31 -8.890 4.384 -11.011 1.00 0.00 C ATOM 476 CD2 PHE A 31 -10.175 4.680 -8.985 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.566 5.746 -11.005 1.00 0.00 C ATOM 478 CE2 PHE A 31 -9.856 6.038 -8.976 1.00 0.00 C ATOM 479 CZ PHE A 31 -9.049 6.574 -9.987 1.00 0.00 C ATOM 0 H PHE A 31 -12.657 2.520 -10.498 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.168 2.322 -12.137 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.655 2.154 -9.127 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.109 1.801 -9.874 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.517 3.744 -11.797 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.795 4.268 -8.203 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.943 6.157 -11.786 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.231 6.676 -8.189 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.800 7.625 -9.981 1.00 0.00 H new ATOM 489 N LEU A 32 -9.934 -0.191 -11.915 1.00 0.00 N ATOM 490 CA LEU A 32 -9.966 -1.673 -11.963 1.00 0.00 C ATOM 491 C LEU A 32 -8.870 -2.232 -11.042 1.00 0.00 C ATOM 492 O LEU A 32 -7.692 -2.063 -11.284 1.00 0.00 O ATOM 493 CB LEU A 32 -9.754 -2.112 -13.422 1.00 0.00 C ATOM 494 CG LEU A 32 -9.074 -3.485 -13.496 1.00 0.00 C ATOM 495 CD1 LEU A 32 -10.121 -4.592 -13.401 1.00 0.00 C ATOM 496 CD2 LEU A 32 -8.347 -3.607 -14.831 1.00 0.00 C ATOM 0 H LEU A 32 -9.147 0.240 -12.400 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.925 -2.058 -11.615 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.715 -2.151 -13.936 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.144 -1.373 -13.942 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.369 -3.582 -12.670 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.629 -5.563 -13.454 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.655 -4.507 -12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.827 -4.497 -14.226 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.860 -4.580 -14.893 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.064 -3.507 -15.646 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.596 -2.820 -14.910 1.00 0.00 H new ATOM 508 N LEU A 33 -9.260 -2.907 -9.989 1.00 0.00 N ATOM 509 CA LEU A 33 -8.264 -3.500 -9.044 1.00 0.00 C ATOM 510 C LEU A 33 -8.363 -5.020 -9.129 1.00 0.00 C ATOM 511 O LEU A 33 -9.349 -5.549 -9.597 1.00 0.00 O ATOM 512 CB LEU A 33 -8.575 -3.076 -7.604 1.00 0.00 C ATOM 513 CG LEU A 33 -8.232 -1.598 -7.386 1.00 0.00 C ATOM 514 CD1 LEU A 33 -8.985 -1.082 -6.162 1.00 0.00 C ATOM 515 CD2 LEU A 33 -6.727 -1.450 -7.136 1.00 0.00 C ATOM 0 H LEU A 33 -10.235 -3.074 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.266 -3.154 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.631 -3.244 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.007 -3.693 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.517 -1.028 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.744 -0.031 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.058 -1.188 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.691 -1.658 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.486 -0.398 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.447 -2.021 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.176 -1.826 -7.998 1.00 0.00 H new ATOM 527 N LEU A 34 -7.363 -5.730 -8.683 1.00 0.00 N ATOM 528 CA LEU A 34 -7.429 -7.218 -8.744 1.00 0.00 C ATOM 529 C LEU A 34 -7.308 -7.815 -7.341 1.00 0.00 C ATOM 530 O LEU A 34 -6.455 -7.434 -6.564 1.00 0.00 O ATOM 531 CB LEU A 34 -6.297 -7.755 -9.627 1.00 0.00 C ATOM 532 CG LEU A 34 -6.460 -7.235 -11.057 1.00 0.00 C ATOM 533 CD1 LEU A 34 -5.444 -7.919 -11.969 1.00 0.00 C ATOM 534 CD2 LEU A 34 -7.865 -7.570 -11.549 1.00 0.00 C ATOM 0 H LEU A 34 -6.507 -5.347 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.390 -7.505 -9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.332 -7.444 -9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.307 -8.845 -9.624 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.301 -6.157 -11.073 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.561 -7.548 -12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.435 -7.702 -11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.609 -8.996 -11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.991 -7.203 -12.568 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.009 -8.650 -11.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.601 -7.096 -10.899 1.00 0.00 H new ATOM 546 N GLN A 35 -8.146 -8.767 -7.017 1.00 0.00 N ATOM 547 CA GLN A 35 -8.054 -9.399 -5.671 1.00 0.00 C ATOM 548 C GLN A 35 -7.329 -10.731 -5.821 1.00 0.00 C ATOM 549 O GLN A 35 -7.851 -11.668 -6.389 1.00 0.00 O ATOM 550 CB GLN A 35 -9.450 -9.650 -5.098 1.00 0.00 C ATOM 551 CG GLN A 35 -9.369 -9.723 -3.571 1.00 0.00 C ATOM 552 CD GLN A 35 -10.775 -9.873 -2.994 1.00 0.00 C ATOM 553 OE1 GLN A 35 -11.753 -9.775 -3.708 1.00 0.00 O ATOM 554 NE2 GLN A 35 -10.917 -10.103 -1.720 1.00 0.00 N ATOM 0 H GLN A 35 -8.883 -9.130 -7.622 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.516 -8.736 -4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.127 -8.851 -5.399 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.857 -10.580 -5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.748 -10.567 -3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.897 -8.823 -3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.095 -10.185 -1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.850 -10.201 -1.320 1.00 0.00 H new ATOM 563 N ALA A 36 -6.130 -10.829 -5.327 1.00 0.00 N ATOM 564 CA ALA A 36 -5.391 -12.110 -5.460 1.00 0.00 C ATOM 565 C ALA A 36 -6.120 -13.187 -4.661 1.00 0.00 C ATOM 566 O ALA A 36 -6.524 -12.967 -3.540 1.00 0.00 O ATOM 567 CB ALA A 36 -3.972 -11.938 -4.922 1.00 0.00 C ATOM 0 H ALA A 36 -5.633 -10.083 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.341 -12.403 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.429 -12.878 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.459 -11.162 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.014 -11.650 -3.871 1.00 0.00 H new ATOM 573 N SER A 37 -6.297 -14.352 -5.222 1.00 0.00 N ATOM 574 CA SER A 37 -7.009 -15.427 -4.478 1.00 0.00 C ATOM 575 C SER A 37 -5.996 -16.229 -3.658 1.00 0.00 C ATOM 576 O SER A 37 -6.353 -16.972 -2.766 1.00 0.00 O ATOM 577 CB SER A 37 -7.714 -16.352 -5.469 1.00 0.00 C ATOM 578 OG SER A 37 -7.969 -17.603 -4.845 1.00 0.00 O ATOM 0 H SER A 37 -5.981 -14.604 -6.158 1.00 0.00 H new ATOM 0 HA SER A 37 -7.748 -14.983 -3.811 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.649 -15.902 -5.802 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.095 -16.494 -6.355 1.00 0.00 H new ATOM 0 HG SER A 37 -8.325 -18.232 -5.507 1.00 0.00 H new ATOM 641 N HIS A 42 -6.200 -9.687 -1.038 1.00 0.00 N ATOM 642 CA HIS A 42 -6.088 -8.201 -0.977 1.00 0.00 C ATOM 643 C HIS A 42 -6.381 -7.620 -2.363 1.00 0.00 C ATOM 644 O HIS A 42 -6.268 -8.300 -3.362 1.00 0.00 O ATOM 645 CB HIS A 42 -4.667 -7.808 -0.549 1.00 0.00 C ATOM 646 CG HIS A 42 -3.671 -8.230 -1.602 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.559 -7.932 -2.938 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -2.603 -9.076 -1.320 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -2.451 -8.581 -3.469 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -1.910 -9.254 -2.458 1.00 0.00 N flip ATOM 0 HA HIS A 42 -6.803 -7.810 -0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.610 -6.730 -0.395 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.423 -8.279 0.403 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.372 -9.512 -0.359 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.102 -8.546 -4.490 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.074 -9.833 -2.536 1.00 0.00 H new ATOM 659 N TRP A 43 -6.746 -6.369 -2.434 1.00 0.00 N ATOM 660 CA TRP A 43 -7.036 -5.752 -3.761 1.00 0.00 C ATOM 661 C TRP A 43 -5.830 -4.931 -4.218 1.00 0.00 C ATOM 662 O TRP A 43 -5.185 -4.265 -3.432 1.00 0.00 O ATOM 663 CB TRP A 43 -8.253 -4.836 -3.646 1.00 0.00 C ATOM 664 CG TRP A 43 -9.504 -5.642 -3.733 1.00 0.00 C ATOM 665 CD1 TRP A 43 -10.267 -6.014 -2.681 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.155 -6.174 -4.920 1.00 0.00 C ATOM 667 NE1 TRP A 43 -11.350 -6.737 -3.148 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.323 -6.866 -4.523 1.00 0.00 C ATOM 669 CE3 TRP A 43 -9.844 -6.124 -6.286 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.156 -7.484 -5.454 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -10.676 -6.749 -7.226 1.00 0.00 C ATOM 672 CH2 TRP A 43 -11.829 -7.428 -6.811 1.00 0.00 C ATOM 0 H TRP A 43 -6.856 -5.748 -1.632 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.239 -6.540 -4.486 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.224 -4.295 -2.700 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.234 -4.090 -4.441 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.064 -5.784 -1.645 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.079 -7.127 -2.550 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.959 -5.601 -6.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.046 -8.002 -5.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.426 -6.707 -8.276 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.465 -7.908 -7.540 1.00 0.00 H new ATOM 683 N THR A 44 -5.524 -4.971 -5.488 1.00 0.00 N ATOM 684 CA THR A 44 -4.363 -4.191 -6.001 1.00 0.00 C ATOM 685 C THR A 44 -4.425 -4.126 -7.525 1.00 0.00 C ATOM 686 O THR A 44 -4.927 -5.024 -8.172 1.00 0.00 O ATOM 687 CB THR A 44 -3.053 -4.867 -5.585 1.00 0.00 C ATOM 688 OG1 THR A 44 -1.987 -4.350 -6.369 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.144 -6.381 -5.798 1.00 0.00 C ATOM 0 H THR A 44 -6.029 -5.511 -6.191 1.00 0.00 H new ATOM 0 HA THR A 44 -4.402 -3.185 -5.584 1.00 0.00 H new ATOM 0 HB THR A 44 -2.873 -4.666 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.147 -4.780 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.206 -6.848 -5.498 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.959 -6.785 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.333 -6.590 -6.851 1.00 0.00 H new ATOM 697 N PRO A 45 -3.902 -3.074 -8.096 1.00 0.00 N ATOM 698 CA PRO A 45 -3.883 -2.887 -9.569 1.00 0.00 C ATOM 699 C PRO A 45 -2.853 -3.800 -10.226 1.00 0.00 C ATOM 700 O PRO A 45 -1.879 -4.195 -9.613 1.00 0.00 O ATOM 701 CB PRO A 45 -3.477 -1.425 -9.745 1.00 0.00 C ATOM 702 CG PRO A 45 -2.668 -1.116 -8.535 1.00 0.00 C ATOM 703 CD PRO A 45 -3.277 -1.941 -7.400 1.00 0.00 C ATOM 0 HA PRO A 45 -4.841 -3.127 -10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.898 -1.281 -10.657 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.350 -0.776 -9.815 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.621 -1.377 -8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.701 -0.051 -8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.517 -2.274 -6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.009 -1.365 -6.833 1.00 0.00 H new ATOM 711 N PRO A 46 -3.064 -4.126 -11.461 1.00 0.00 N ATOM 712 CA PRO A 46 -2.141 -4.996 -12.221 1.00 0.00 C ATOM 713 C PRO A 46 -0.672 -4.658 -11.946 1.00 0.00 C ATOM 714 O PRO A 46 -0.153 -3.684 -12.453 1.00 0.00 O ATOM 715 CB PRO A 46 -2.471 -4.696 -13.679 1.00 0.00 C ATOM 716 CG PRO A 46 -3.804 -4.016 -13.705 1.00 0.00 C ATOM 717 CD PRO A 46 -4.206 -3.693 -12.268 1.00 0.00 C ATOM 0 HA PRO A 46 -2.264 -6.044 -11.947 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.706 -4.058 -14.122 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.498 -5.616 -14.264 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.753 -3.104 -14.299 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.549 -4.660 -14.172 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.401 -2.628 -12.140 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.116 -4.220 -11.983 1.00 0.00 H new ATOM 725 N LYS A 47 0.008 -5.442 -11.153 1.00 0.00 N ATOM 726 CA LYS A 47 1.440 -5.130 -10.875 1.00 0.00 C ATOM 727 C LYS A 47 2.153 -6.356 -10.285 1.00 0.00 C ATOM 728 O LYS A 47 1.640 -7.038 -9.420 1.00 0.00 O ATOM 729 CB LYS A 47 1.513 -3.918 -9.928 1.00 0.00 C ATOM 730 CG LYS A 47 1.869 -4.347 -8.501 1.00 0.00 C ATOM 731 CD LYS A 47 3.381 -4.517 -8.378 1.00 0.00 C ATOM 732 CE LYS A 47 3.700 -5.410 -7.178 1.00 0.00 C ATOM 733 NZ LYS A 47 3.489 -6.841 -7.549 1.00 0.00 N ATOM 0 H LYS A 47 -0.359 -6.274 -10.691 1.00 0.00 H new ATOM 0 HA LYS A 47 1.952 -4.878 -11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.258 -3.212 -10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.555 -3.398 -9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.518 -3.601 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.367 -5.283 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.783 -4.958 -9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.858 -3.544 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.731 -5.254 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.063 -5.145 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.405 -7.415 -6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.618 -6.929 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.298 -7.177 -8.110 1.00 0.00 H new ATOM 747 N GLY A 48 3.339 -6.640 -10.765 1.00 0.00 N ATOM 748 CA GLY A 48 4.106 -7.816 -10.257 1.00 0.00 C ATOM 749 C GLY A 48 5.503 -7.362 -9.820 1.00 0.00 C ATOM 750 O GLY A 48 5.662 -6.719 -8.803 1.00 0.00 O ATOM 0 H GLY A 48 3.811 -6.102 -11.492 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.581 -8.272 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.185 -8.576 -11.034 1.00 0.00 H new ATOM 754 N HIS A 49 6.517 -7.699 -10.578 1.00 0.00 N ATOM 755 CA HIS A 49 7.905 -7.282 -10.211 1.00 0.00 C ATOM 756 C HIS A 49 8.712 -7.007 -11.484 1.00 0.00 C ATOM 757 O HIS A 49 8.310 -7.367 -12.570 1.00 0.00 O ATOM 758 CB HIS A 49 8.573 -8.381 -9.391 1.00 0.00 C ATOM 759 CG HIS A 49 10.061 -8.169 -9.376 1.00 0.00 C ATOM 760 ND1 HIS A 49 10.840 -7.131 -8.925 1.00 0.00 N flip ATOM 761 CD2 HIS A 49 10.943 -9.114 -9.882 1.00 0.00 C flip ATOM 762 CE1 HIS A 49 12.181 -7.430 -9.147 1.00 0.00 C flip ATOM 763 NE2 HIS A 49 12.187 -8.634 -9.721 1.00 0.00 N flip ATOM 0 H HIS A 49 6.443 -8.246 -11.436 1.00 0.00 H new ATOM 0 HA HIS A 49 7.865 -6.372 -9.613 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.185 -8.375 -8.372 1.00 0.00 H new ATOM 0 HB3 HIS A 49 8.339 -9.357 -9.815 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.677 -10.063 -10.325 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.036 -6.817 -8.905 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.033 -9.129 -10.003 1.00 0.00 H new ATOM 772 N VAL A 50 9.850 -6.366 -11.364 1.00 0.00 N ATOM 773 CA VAL A 50 10.664 -6.074 -12.581 1.00 0.00 C ATOM 774 C VAL A 50 11.784 -7.109 -12.724 1.00 0.00 C ATOM 775 O VAL A 50 12.535 -7.364 -11.806 1.00 0.00 O ATOM 776 CB VAL A 50 11.269 -4.666 -12.471 1.00 0.00 C ATOM 777 CG1 VAL A 50 12.724 -4.748 -11.998 1.00 0.00 C ATOM 778 CG2 VAL A 50 11.226 -3.990 -13.844 1.00 0.00 C ATOM 0 H VAL A 50 10.246 -6.036 -10.484 1.00 0.00 H new ATOM 0 HA VAL A 50 10.022 -6.124 -13.460 1.00 0.00 H new ATOM 0 HB VAL A 50 10.692 -4.088 -11.749 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.140 -3.743 -11.925 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.762 -5.229 -11.021 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.306 -5.330 -12.712 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.654 -2.990 -13.771 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.801 -4.580 -14.558 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.192 -3.918 -14.182 1.00 0.00 H new ATOM 841 N ASP A 55 11.517 -3.638 -18.568 1.00 0.00 N ATOM 842 CA ASP A 55 11.845 -2.278 -18.056 1.00 0.00 C ATOM 843 C ASP A 55 10.907 -1.945 -16.898 1.00 0.00 C ATOM 844 O ASP A 55 10.044 -2.722 -16.548 1.00 0.00 O ATOM 845 CB ASP A 55 11.650 -1.252 -19.166 1.00 0.00 C ATOM 846 CG ASP A 55 12.546 -0.039 -18.909 1.00 0.00 C ATOM 847 OD1 ASP A 55 12.052 0.928 -18.353 1.00 0.00 O ATOM 848 OD2 ASP A 55 13.709 -0.097 -19.272 1.00 0.00 O ATOM 0 HA ASP A 55 12.881 -2.255 -17.718 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.891 -1.696 -20.132 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.606 -0.942 -19.209 1.00 0.00 H new ATOM 854 N ASP A 56 11.065 -0.797 -16.299 1.00 0.00 N ATOM 855 CA ASP A 56 10.171 -0.427 -15.164 1.00 0.00 C ATOM 856 C ASP A 56 8.723 -0.338 -15.657 1.00 0.00 C ATOM 857 O ASP A 56 7.862 -1.062 -15.200 1.00 0.00 O ATOM 858 CB ASP A 56 10.602 0.922 -14.595 1.00 0.00 C ATOM 859 CG ASP A 56 11.962 0.778 -13.907 1.00 0.00 C ATOM 860 OD1 ASP A 56 12.526 1.794 -13.532 1.00 0.00 O ATOM 861 OD2 ASP A 56 12.418 -0.344 -13.769 1.00 0.00 O ATOM 0 H ASP A 56 11.770 -0.102 -16.544 1.00 0.00 H new ATOM 0 HA ASP A 56 10.240 -1.187 -14.386 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.663 1.662 -15.393 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.859 1.282 -13.883 1.00 0.00 H new ATOM 867 N LEU A 57 8.437 0.531 -16.588 1.00 0.00 N ATOM 868 CA LEU A 57 7.034 0.617 -17.087 1.00 0.00 C ATOM 869 C LEU A 57 6.733 -0.600 -17.948 1.00 0.00 C ATOM 870 O LEU A 57 5.666 -1.176 -17.870 1.00 0.00 O ATOM 871 CB LEU A 57 6.833 1.892 -17.909 1.00 0.00 C ATOM 872 CG LEU A 57 5.479 1.831 -18.631 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.338 2.095 -17.644 1.00 0.00 C ATOM 874 CD2 LEU A 57 5.452 2.881 -19.742 1.00 0.00 C ATOM 0 H LEU A 57 9.100 1.175 -17.019 1.00 0.00 H new ATOM 0 HA LEU A 57 6.356 0.644 -16.234 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.871 2.766 -17.259 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.639 2.000 -18.635 1.00 0.00 H new ATOM 0 HG LEU A 57 5.347 0.838 -19.060 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.384 2.049 -18.170 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.356 1.341 -16.857 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.461 3.084 -17.202 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.492 2.841 -20.257 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.591 3.872 -19.310 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.254 2.680 -20.452 1.00 0.00 H new ATOM 886 N GLU A 58 7.661 -1.010 -18.764 1.00 0.00 N ATOM 887 CA GLU A 58 7.398 -2.200 -19.604 1.00 0.00 C ATOM 888 C GLU A 58 6.988 -3.316 -18.655 1.00 0.00 C ATOM 889 O GLU A 58 6.145 -4.138 -18.952 1.00 0.00 O ATOM 890 CB GLU A 58 8.666 -2.581 -20.368 1.00 0.00 C ATOM 891 CG GLU A 58 9.043 -1.441 -21.316 1.00 0.00 C ATOM 892 CD GLU A 58 10.255 -1.854 -22.155 1.00 0.00 C ATOM 893 OE1 GLU A 58 10.791 -2.920 -21.901 1.00 0.00 O ATOM 894 OE2 GLU A 58 10.626 -1.099 -23.038 1.00 0.00 O ATOM 0 H GLU A 58 8.577 -0.577 -18.883 1.00 0.00 H new ATOM 0 HA GLU A 58 6.615 -2.010 -20.338 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.481 -2.775 -19.671 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.503 -3.500 -20.931 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.202 -1.201 -21.966 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.272 -0.540 -20.746 1.00 0.00 H new ATOM 902 N THR A 59 7.561 -3.309 -17.484 1.00 0.00 N ATOM 903 CA THR A 59 7.196 -4.323 -16.467 1.00 0.00 C ATOM 904 C THR A 59 5.734 -4.103 -16.078 1.00 0.00 C ATOM 905 O THR A 59 4.950 -5.030 -16.011 1.00 0.00 O ATOM 906 CB THR A 59 8.091 -4.152 -15.241 1.00 0.00 C ATOM 907 OG1 THR A 59 9.199 -5.033 -15.338 1.00 0.00 O ATOM 908 CG2 THR A 59 7.301 -4.456 -13.971 1.00 0.00 C ATOM 0 H THR A 59 8.271 -2.638 -17.190 1.00 0.00 H new ATOM 0 HA THR A 59 7.329 -5.329 -16.864 1.00 0.00 H new ATOM 0 HB THR A 59 8.447 -3.123 -15.198 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.881 -4.638 -15.921 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.947 -4.332 -13.102 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.456 -3.772 -13.896 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.935 -5.482 -14.007 1.00 0.00 H new ATOM 916 N ALA A 60 5.351 -2.874 -15.848 1.00 0.00 N ATOM 917 CA ALA A 60 3.933 -2.599 -15.498 1.00 0.00 C ATOM 918 C ALA A 60 3.078 -3.033 -16.679 1.00 0.00 C ATOM 919 O ALA A 60 2.093 -3.730 -16.532 1.00 0.00 O ATOM 920 CB ALA A 60 3.744 -1.103 -15.253 1.00 0.00 C ATOM 0 H ALA A 60 5.958 -2.055 -15.888 1.00 0.00 H new ATOM 0 HA ALA A 60 3.648 -3.139 -14.595 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.703 -0.905 -14.997 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.387 -0.785 -14.432 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.007 -0.551 -16.155 1.00 0.00 H new ATOM 926 N LEU A 61 3.475 -2.649 -17.861 1.00 0.00 N ATOM 927 CA LEU A 61 2.723 -3.056 -19.070 1.00 0.00 C ATOM 928 C LEU A 61 2.772 -4.581 -19.161 1.00 0.00 C ATOM 929 O LEU A 61 1.813 -5.226 -19.531 1.00 0.00 O ATOM 930 CB LEU A 61 3.376 -2.415 -20.298 1.00 0.00 C ATOM 931 CG LEU A 61 3.115 -0.905 -20.263 1.00 0.00 C ATOM 932 CD1 LEU A 61 4.034 -0.190 -21.248 1.00 0.00 C ATOM 933 CD2 LEU A 61 1.658 -0.632 -20.643 1.00 0.00 C ATOM 0 H LEU A 61 4.294 -2.067 -18.037 1.00 0.00 H new ATOM 0 HA LEU A 61 1.684 -2.729 -19.022 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.448 -2.613 -20.302 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.968 -2.848 -21.212 1.00 0.00 H new ATOM 0 HG LEU A 61 3.312 -0.534 -19.257 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.840 0.882 -21.215 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.073 -0.379 -20.979 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.847 -0.561 -22.256 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.471 0.441 -20.619 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.467 -1.011 -21.647 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.997 -1.132 -19.935 1.00 0.00 H new ATOM 945 N ARG A 62 3.883 -5.158 -18.790 1.00 0.00 N ATOM 946 CA ARG A 62 4.001 -6.641 -18.811 1.00 0.00 C ATOM 947 C ARG A 62 3.006 -7.225 -17.808 1.00 0.00 C ATOM 948 O ARG A 62 2.263 -8.137 -18.110 1.00 0.00 O ATOM 949 CB ARG A 62 5.420 -7.032 -18.394 1.00 0.00 C ATOM 950 CG ARG A 62 5.564 -8.555 -18.353 1.00 0.00 C ATOM 951 CD ARG A 62 6.818 -8.914 -17.549 1.00 0.00 C ATOM 952 NE ARG A 62 6.927 -10.392 -17.421 1.00 0.00 N ATOM 953 CZ ARG A 62 7.372 -11.104 -18.415 1.00 0.00 C ATOM 954 NH1 ARG A 62 7.718 -10.523 -19.531 1.00 0.00 N ATOM 955 NH2 ARG A 62 7.472 -12.399 -18.292 1.00 0.00 N ATOM 0 H ARG A 62 4.716 -4.663 -18.472 1.00 0.00 H new ATOM 0 HA ARG A 62 3.792 -7.022 -19.811 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.141 -6.611 -19.095 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.646 -6.613 -17.414 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.682 -9.005 -17.897 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.638 -8.954 -19.365 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.704 -8.516 -18.043 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.771 -8.456 -16.561 1.00 0.00 H new ATOM 0 HE ARG A 62 6.652 -10.849 -16.551 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.640 -9.510 -19.624 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.067 -11.082 -20.310 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.202 -12.851 -17.418 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.820 -12.960 -19.070 1.00 0.00 H new ATOM 969 N ALA A 63 2.991 -6.703 -16.612 1.00 0.00 N ATOM 970 CA ALA A 63 2.051 -7.223 -15.587 1.00 0.00 C ATOM 971 C ALA A 63 0.628 -6.805 -15.936 1.00 0.00 C ATOM 972 O ALA A 63 -0.316 -7.525 -15.693 1.00 0.00 O ATOM 973 CB ALA A 63 2.418 -6.653 -14.219 1.00 0.00 C ATOM 0 H ALA A 63 3.591 -5.938 -16.303 1.00 0.00 H new ATOM 0 HA ALA A 63 2.117 -8.311 -15.562 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.727 -7.036 -13.468 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.435 -6.950 -13.962 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.355 -5.565 -14.249 1.00 0.00 H new ATOM 979 N THR A 64 0.460 -5.641 -16.497 1.00 0.00 N ATOM 980 CA THR A 64 -0.912 -5.190 -16.839 1.00 0.00 C ATOM 981 C THR A 64 -1.601 -6.264 -17.663 1.00 0.00 C ATOM 982 O THR A 64 -2.735 -6.619 -17.410 1.00 0.00 O ATOM 983 CB THR A 64 -0.845 -3.896 -17.638 1.00 0.00 C ATOM 984 OG1 THR A 64 -0.005 -2.973 -16.961 1.00 0.00 O ATOM 985 CG2 THR A 64 -2.251 -3.312 -17.766 1.00 0.00 C ATOM 0 H THR A 64 1.208 -4.988 -16.731 1.00 0.00 H new ATOM 0 HA THR A 64 -1.476 -5.014 -15.923 1.00 0.00 H new ATOM 0 HB THR A 64 -0.442 -4.093 -18.631 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.923 -3.287 -16.997 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.209 -2.385 -18.337 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.896 -4.026 -18.279 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.652 -3.108 -16.773 1.00 0.00 H new ATOM 993 N GLN A 65 -0.924 -6.803 -18.631 1.00 0.00 N ATOM 994 CA GLN A 65 -1.546 -7.874 -19.443 1.00 0.00 C ATOM 995 C GLN A 65 -1.554 -9.167 -18.633 1.00 0.00 C ATOM 996 O GLN A 65 -2.580 -9.763 -18.402 1.00 0.00 O ATOM 997 CB GLN A 65 -0.753 -8.085 -20.733 1.00 0.00 C ATOM 998 CG GLN A 65 -0.881 -9.543 -21.172 1.00 0.00 C ATOM 999 CD GLN A 65 -0.453 -9.672 -22.634 1.00 0.00 C ATOM 1000 OE1 GLN A 65 0.711 -9.527 -22.951 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -1.350 -9.936 -23.544 1.00 0.00 N ATOM 0 H GLN A 65 0.028 -6.549 -18.894 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.566 -7.587 -19.700 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.126 -7.424 -21.515 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.295 -7.832 -20.575 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.260 -10.180 -20.542 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.910 -9.882 -21.051 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.327 -10.058 -23.277 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.074 -10.021 -24.522 1.00 0.00 H new ATOM 1010 N GLU A 66 -0.413 -9.602 -18.190 1.00 0.00 N ATOM 1011 CA GLU A 66 -0.356 -10.861 -17.396 1.00 0.00 C ATOM 1012 C GLU A 66 -1.313 -10.769 -16.202 1.00 0.00 C ATOM 1013 O GLU A 66 -1.844 -11.760 -15.745 1.00 0.00 O ATOM 1014 CB GLU A 66 1.068 -11.078 -16.888 1.00 0.00 C ATOM 1015 CG GLU A 66 1.170 -12.457 -16.235 1.00 0.00 C ATOM 1016 CD GLU A 66 2.566 -12.631 -15.638 1.00 0.00 C ATOM 1017 OE1 GLU A 66 2.856 -13.719 -15.170 1.00 0.00 O ATOM 1018 OE2 GLU A 66 3.318 -11.671 -15.654 1.00 0.00 O ATOM 0 H GLU A 66 0.485 -9.142 -18.342 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.652 -11.697 -18.030 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.776 -11.001 -17.713 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.331 -10.303 -16.169 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.414 -12.560 -15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.977 -13.236 -16.972 1.00 0.00 H new ATOM 1026 N GLU A 67 -1.531 -9.592 -15.686 1.00 0.00 N ATOM 1027 CA GLU A 67 -2.443 -9.450 -14.518 1.00 0.00 C ATOM 1028 C GLU A 67 -3.903 -9.494 -14.977 1.00 0.00 C ATOM 1029 O GLU A 67 -4.514 -10.540 -15.006 1.00 0.00 O ATOM 1030 CB GLU A 67 -2.162 -8.124 -13.819 1.00 0.00 C ATOM 1031 CG GLU A 67 -0.817 -8.208 -13.094 1.00 0.00 C ATOM 1032 CD GLU A 67 -0.918 -9.233 -11.970 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -2.030 -9.612 -11.648 1.00 0.00 O ATOM 1034 OE2 GLU A 67 0.113 -9.622 -11.451 1.00 0.00 O ATOM 0 H GLU A 67 -1.117 -8.723 -16.023 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.270 -10.274 -13.826 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.146 -7.313 -14.547 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.957 -7.899 -13.109 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.031 -8.493 -13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.546 -7.233 -12.690 1.00 0.00 H new ATOM 1042 N ALA A 68 -4.477 -8.373 -15.335 1.00 0.00 N ATOM 1043 CA ALA A 68 -5.900 -8.398 -15.778 1.00 0.00 C ATOM 1044 C ALA A 68 -5.980 -8.931 -17.205 1.00 0.00 C ATOM 1045 O ALA A 68 -7.045 -9.060 -17.766 1.00 0.00 O ATOM 1046 CB ALA A 68 -6.497 -6.989 -15.746 1.00 0.00 C ATOM 0 H ALA A 68 -4.029 -7.457 -15.340 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.461 -9.042 -15.101 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.536 -7.027 -16.073 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.450 -6.597 -14.730 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.931 -6.339 -16.413 1.00 0.00 H new ATOM 1052 N GLY A 69 -4.869 -9.237 -17.809 1.00 0.00 N ATOM 1053 CA GLY A 69 -4.922 -9.749 -19.206 1.00 0.00 C ATOM 1054 C GLY A 69 -5.074 -8.569 -20.160 1.00 0.00 C ATOM 1055 O GLY A 69 -5.467 -8.726 -21.298 1.00 0.00 O ATOM 0 H GLY A 69 -3.937 -9.157 -17.403 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.014 -10.306 -19.438 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.758 -10.438 -19.323 1.00 0.00 H new ATOM 1059 N ILE A 70 -4.777 -7.381 -19.706 1.00 0.00 N ATOM 1060 CA ILE A 70 -4.924 -6.198 -20.589 1.00 0.00 C ATOM 1061 C ILE A 70 -3.551 -5.750 -21.085 1.00 0.00 C ATOM 1062 O ILE A 70 -2.656 -5.473 -20.309 1.00 0.00 O ATOM 1063 CB ILE A 70 -5.574 -5.061 -19.808 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -6.636 -5.644 -18.881 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -6.231 -4.092 -20.790 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -7.301 -4.524 -18.083 1.00 0.00 C ATOM 0 H ILE A 70 -4.440 -7.183 -18.764 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.548 -6.462 -21.443 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.823 -4.532 -19.221 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.384 -6.181 -19.464 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.182 -6.366 -18.202 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.698 -3.276 -20.239 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.475 -3.689 -21.464 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.989 -4.619 -21.369 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.058 -4.947 -17.423 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.549 -4.006 -17.487 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.771 -3.818 -18.768 1.00 0.00 H new ATOM 1078 N GLU A 71 -3.381 -5.668 -22.371 1.00 0.00 N ATOM 1079 CA GLU A 71 -2.073 -5.235 -22.925 1.00 0.00 C ATOM 1080 C GLU A 71 -2.121 -3.741 -23.226 1.00 0.00 C ATOM 1081 O GLU A 71 -3.176 -3.145 -23.307 1.00 0.00 O ATOM 1082 CB GLU A 71 -1.792 -6.001 -24.218 1.00 0.00 C ATOM 1083 CG GLU A 71 -2.858 -5.649 -25.258 1.00 0.00 C ATOM 1084 CD GLU A 71 -2.660 -6.508 -26.508 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -3.551 -6.516 -27.343 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -1.622 -7.137 -26.613 1.00 0.00 O ATOM 0 H GLU A 71 -4.096 -5.883 -23.066 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.285 -5.438 -22.200 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.802 -5.748 -24.596 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.795 -7.074 -24.026 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.853 -5.815 -24.844 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.793 -4.592 -25.517 1.00 0.00 H new ATOM 1094 N ALA A 72 -0.984 -3.133 -23.393 1.00 0.00 N ATOM 1095 CA ALA A 72 -0.961 -1.680 -23.695 1.00 0.00 C ATOM 1096 C ALA A 72 -1.684 -1.436 -25.020 1.00 0.00 C ATOM 1097 O ALA A 72 -2.155 -0.350 -25.295 1.00 0.00 O ATOM 1098 CB ALA A 72 0.487 -1.208 -23.804 1.00 0.00 C ATOM 0 H ALA A 72 -0.069 -3.580 -23.333 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.460 -1.127 -22.899 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.506 -0.141 -24.026 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.002 -1.392 -22.861 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.988 -1.754 -24.603 1.00 0.00 H new ATOM 1104 N GLY A 73 -1.776 -2.447 -25.843 1.00 0.00 N ATOM 1105 CA GLY A 73 -2.465 -2.284 -27.152 1.00 0.00 C ATOM 1106 C GLY A 73 -3.860 -1.695 -26.931 1.00 0.00 C ATOM 1107 O GLY A 73 -4.341 -0.909 -27.723 1.00 0.00 O ATOM 0 H GLY A 73 -1.403 -3.379 -25.663 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.883 -1.631 -27.802 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.542 -3.248 -27.656 1.00 0.00 H new ATOM 1111 N GLN A 74 -4.512 -2.061 -25.858 1.00 0.00 N ATOM 1112 CA GLN A 74 -5.871 -1.504 -25.597 1.00 0.00 C ATOM 1113 C GLN A 74 -5.779 -0.425 -24.519 1.00 0.00 C ATOM 1114 O GLN A 74 -6.757 0.211 -24.182 1.00 0.00 O ATOM 1115 CB GLN A 74 -6.835 -2.616 -25.162 1.00 0.00 C ATOM 1116 CG GLN A 74 -6.207 -3.471 -24.062 1.00 0.00 C ATOM 1117 CD GLN A 74 -6.962 -4.799 -23.966 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -6.361 -5.847 -23.471 1.00 0.00 O flip ATOM 1119 NE2 GLN A 74 -8.111 -4.886 -24.348 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.165 -2.716 -25.157 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.258 -1.062 -26.515 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.766 -2.178 -24.803 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.087 -3.242 -26.018 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.155 -3.652 -24.281 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.248 -2.945 -23.108 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.583 -4.069 -24.735 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.604 -5.776 -24.282 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.608 -0.198 -23.987 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.458 0.861 -22.946 1.00 0.00 C ATOM 1130 C LEU A 75 -3.582 1.987 -23.476 1.00 0.00 C ATOM 1131 O LEU A 75 -2.654 1.770 -24.226 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.750 0.318 -21.708 1.00 0.00 C ATOM 1133 CG LEU A 75 -4.439 -0.931 -21.190 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -3.428 -1.743 -20.388 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -5.585 -0.514 -20.276 1.00 0.00 C ATOM 0 H LEU A 75 -3.752 -0.698 -24.227 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.460 1.208 -22.696 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.712 0.091 -21.949 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.737 1.080 -20.929 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.824 -1.526 -22.018 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.906 -2.646 -20.007 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.591 -2.019 -21.030 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.063 -1.146 -19.552 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.089 -1.403 -19.896 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.192 0.065 -19.440 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.295 0.094 -20.837 1.00 0.00 H new ATOM 1147 N THR A 76 -3.838 3.181 -23.038 1.00 0.00 N ATOM 1148 CA THR A 76 -2.989 4.320 -23.448 1.00 0.00 C ATOM 1149 C THR A 76 -2.405 4.904 -22.167 1.00 0.00 C ATOM 1150 O THR A 76 -3.130 5.293 -21.273 1.00 0.00 O ATOM 1151 CB THR A 76 -3.828 5.367 -24.193 1.00 0.00 C ATOM 1152 OG1 THR A 76 -3.093 5.844 -25.309 1.00 0.00 O ATOM 1153 CG2 THR A 76 -4.165 6.539 -23.270 1.00 0.00 C ATOM 0 H THR A 76 -4.605 3.417 -22.409 1.00 0.00 H new ATOM 0 HA THR A 76 -2.197 4.003 -24.127 1.00 0.00 H new ATOM 0 HB THR A 76 -4.757 4.905 -24.526 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.625 6.512 -25.790 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.760 7.272 -23.815 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.732 6.176 -22.413 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.243 7.006 -22.923 1.00 0.00 H new ATOM 1161 N ILE A 77 -1.115 4.939 -22.035 1.00 0.00 N ATOM 1162 CA ILE A 77 -0.544 5.470 -20.771 1.00 0.00 C ATOM 1163 C ILE A 77 -0.692 6.982 -20.721 1.00 0.00 C ATOM 1164 O ILE A 77 0.175 7.711 -21.158 1.00 0.00 O ATOM 1165 CB ILE A 77 0.934 5.114 -20.660 1.00 0.00 C ATOM 1166 CG1 ILE A 77 1.103 3.591 -20.687 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.484 5.675 -19.344 1.00 0.00 C ATOM 1168 CD1 ILE A 77 1.263 3.056 -19.261 1.00 0.00 C ATOM 0 H ILE A 77 -0.439 4.629 -22.733 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.088 5.020 -19.940 1.00 0.00 H new ATOM 0 HB ILE A 77 1.481 5.545 -21.499 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.238 3.129 -21.162 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.975 3.324 -21.284 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.541 5.425 -19.256 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.365 6.758 -19.332 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.937 5.241 -18.507 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.382 1.973 -19.290 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.142 3.506 -18.800 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.378 3.308 -18.676 1.00 0.00 H new ATOM 1180 N ILE A 78 -1.760 7.462 -20.153 1.00 0.00 N ATOM 1181 CA ILE A 78 -1.916 8.931 -20.037 1.00 0.00 C ATOM 1182 C ILE A 78 -0.603 9.463 -19.518 1.00 0.00 C ATOM 1183 O ILE A 78 -0.116 10.503 -19.914 1.00 0.00 O ATOM 1184 CB ILE A 78 -2.984 9.260 -18.998 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -4.382 9.080 -19.598 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -2.791 10.699 -18.516 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -4.736 7.593 -19.618 1.00 0.00 C ATOM 0 H ILE A 78 -2.523 6.905 -19.768 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.196 9.361 -20.999 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.887 8.581 -18.151 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.116 9.632 -19.011 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.411 9.486 -20.609 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.552 10.939 -17.773 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.802 10.804 -18.069 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.881 11.381 -19.361 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.730 7.461 -20.044 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.007 7.054 -20.223 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.723 7.202 -18.601 1.00 0.00 H new ATOM 1199 N GLU A 79 -0.041 8.733 -18.610 1.00 0.00 N ATOM 1200 CA GLU A 79 1.237 9.144 -18.001 1.00 0.00 C ATOM 1201 C GLU A 79 0.972 10.359 -17.116 1.00 0.00 C ATOM 1202 O GLU A 79 0.089 10.338 -16.285 1.00 0.00 O ATOM 1203 CB GLU A 79 2.233 9.479 -19.111 1.00 0.00 C ATOM 1204 CG GLU A 79 3.559 8.809 -18.784 1.00 0.00 C ATOM 1205 CD GLU A 79 4.582 9.136 -19.873 1.00 0.00 C ATOM 1206 OE1 GLU A 79 5.708 8.679 -19.758 1.00 0.00 O ATOM 1207 OE2 GLU A 79 4.223 9.837 -20.802 1.00 0.00 O ATOM 0 H GLU A 79 -0.421 7.854 -18.259 1.00 0.00 H new ATOM 0 HA GLU A 79 1.660 8.344 -17.393 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.859 9.131 -20.074 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.363 10.558 -19.191 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.922 9.152 -17.815 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.424 7.730 -18.710 1.00 0.00 H new ATOM 1215 N GLY A 80 1.707 11.417 -17.277 1.00 0.00 N ATOM 1216 CA GLY A 80 1.457 12.607 -16.426 1.00 0.00 C ATOM 1217 C GLY A 80 1.794 12.260 -14.978 1.00 0.00 C ATOM 1218 O GLY A 80 2.596 12.917 -14.346 1.00 0.00 O ATOM 0 H GLY A 80 2.464 11.511 -17.954 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.065 13.446 -16.764 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.415 12.916 -16.507 1.00 0.00 H new ATOM 1222 N PHE A 81 1.190 11.231 -14.445 1.00 0.00 N ATOM 1223 CA PHE A 81 1.489 10.847 -13.040 1.00 0.00 C ATOM 1224 C PHE A 81 2.338 9.576 -13.016 1.00 0.00 C ATOM 1225 O PHE A 81 1.934 8.540 -13.510 1.00 0.00 O ATOM 1226 CB PHE A 81 0.181 10.588 -12.292 1.00 0.00 C ATOM 1227 CG PHE A 81 0.492 10.300 -10.844 1.00 0.00 C ATOM 1228 CD1 PHE A 81 0.787 8.995 -10.434 1.00 0.00 C ATOM 1229 CD2 PHE A 81 0.488 11.344 -9.913 1.00 0.00 C ATOM 1230 CE1 PHE A 81 1.080 8.733 -9.089 1.00 0.00 C ATOM 1231 CE2 PHE A 81 0.780 11.086 -8.570 1.00 0.00 C ATOM 1232 CZ PHE A 81 1.076 9.779 -8.158 1.00 0.00 C ATOM 0 H PHE A 81 0.506 10.644 -14.922 1.00 0.00 H new ATOM 0 HA PHE A 81 2.036 11.658 -12.560 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.476 11.454 -12.371 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.348 9.746 -12.738 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.789 8.190 -11.154 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.259 12.350 -10.232 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.308 7.726 -8.771 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.778 11.892 -7.851 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.301 9.579 -7.121 1.00 0.00 H new ATOM 1242 N LYS A 82 3.500 9.640 -12.425 1.00 0.00 N ATOM 1243 CA LYS A 82 4.370 8.430 -12.343 1.00 0.00 C ATOM 1244 C LYS A 82 5.283 8.558 -11.136 1.00 0.00 C ATOM 1245 O LYS A 82 6.152 9.400 -11.095 1.00 0.00 O ATOM 1246 CB LYS A 82 5.241 8.306 -13.596 1.00 0.00 C ATOM 1247 CG LYS A 82 6.193 7.100 -13.462 1.00 0.00 C ATOM 1248 CD LYS A 82 7.342 7.410 -12.490 1.00 0.00 C ATOM 1249 CE LYS A 82 8.591 6.630 -12.909 1.00 0.00 C ATOM 1250 NZ LYS A 82 8.379 5.182 -12.663 1.00 0.00 N ATOM 0 H LYS A 82 3.886 10.480 -11.994 1.00 0.00 H new ATOM 0 HA LYS A 82 3.734 7.549 -12.258 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.610 8.185 -14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.817 9.220 -13.740 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.637 6.231 -13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.599 6.842 -14.440 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.552 8.480 -12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.055 7.140 -11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.803 6.803 -13.964 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.457 6.982 -12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.193 4.645 -13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.281 5.014 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.514 4.870 -13.150 1.00 0.00 H new ATOM 1264 N ARG A 83 5.121 7.713 -10.169 1.00 0.00 N ATOM 1265 CA ARG A 83 6.012 7.766 -8.985 1.00 0.00 C ATOM 1266 C ARG A 83 6.186 6.352 -8.457 1.00 0.00 C ATOM 1267 O ARG A 83 5.417 5.466 -8.775 1.00 0.00 O ATOM 1268 CB ARG A 83 5.418 8.671 -7.904 1.00 0.00 C ATOM 1269 CG ARG A 83 5.433 10.126 -8.385 1.00 0.00 C ATOM 1270 CD ARG A 83 6.873 10.564 -8.671 1.00 0.00 C ATOM 1271 NE ARG A 83 7.134 11.883 -8.030 1.00 0.00 N ATOM 1272 CZ ARG A 83 7.974 12.716 -8.576 1.00 0.00 C ATOM 1273 NH1 ARG A 83 8.588 12.397 -9.684 1.00 0.00 N ATOM 1274 NH2 ARG A 83 8.200 13.869 -8.014 1.00 0.00 N ATOM 0 H ARG A 83 4.408 6.984 -10.145 1.00 0.00 H new ATOM 0 HA ARG A 83 6.980 8.181 -9.268 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.397 8.363 -7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.991 8.577 -6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.827 10.227 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.990 10.773 -7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.572 9.819 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.035 10.633 -9.747 1.00 0.00 H new ATOM 0 HE ARG A 83 6.656 12.134 -7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.410 11.494 -10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.245 13.051 -10.109 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.720 14.118 -7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.857 14.523 -8.439 1.00 0.00 H new ATOM 1288 N GLU A 84 7.189 6.114 -7.673 1.00 0.00 N ATOM 1289 CA GLU A 84 7.386 4.737 -7.168 1.00 0.00 C ATOM 1290 C GLU A 84 6.445 4.480 -5.996 1.00 0.00 C ATOM 1291 O GLU A 84 6.702 4.867 -4.873 1.00 0.00 O ATOM 1292 CB GLU A 84 8.838 4.557 -6.729 1.00 0.00 C ATOM 1293 CG GLU A 84 9.751 4.716 -7.947 1.00 0.00 C ATOM 1294 CD GLU A 84 10.132 6.188 -8.120 1.00 0.00 C ATOM 1295 OE1 GLU A 84 10.885 6.480 -9.037 1.00 0.00 O ATOM 1296 OE2 GLU A 84 9.669 6.999 -7.338 1.00 0.00 O ATOM 0 H GLU A 84 7.874 6.803 -7.362 1.00 0.00 H new ATOM 0 HA GLU A 84 7.164 4.023 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.095 5.293 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.976 3.573 -6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.649 4.111 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.245 4.354 -8.842 1.00 0.00 H new ATOM 1304 N LEU A 85 5.362 3.805 -6.255 1.00 0.00 N ATOM 1305 CA LEU A 85 4.399 3.484 -5.175 1.00 0.00 C ATOM 1306 C LEU A 85 5.055 2.421 -4.301 1.00 0.00 C ATOM 1307 O LEU A 85 5.553 1.434 -4.797 1.00 0.00 O ATOM 1308 CB LEU A 85 3.124 2.918 -5.812 1.00 0.00 C ATOM 1309 CG LEU A 85 1.913 3.169 -4.904 1.00 0.00 C ATOM 1310 CD1 LEU A 85 0.976 4.202 -5.545 1.00 0.00 C ATOM 1311 CD2 LEU A 85 1.141 1.866 -4.701 1.00 0.00 C ATOM 0 H LEU A 85 5.103 3.460 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 85 4.142 4.363 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.959 3.382 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.241 1.848 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 85 2.270 3.545 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.120 4.372 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.513 5.139 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.628 3.829 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.282 2.049 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.797 1.493 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.792 1.126 -4.237 1.00 0.00 H new ATOM 1323 N ASN A 86 5.100 2.611 -3.015 1.00 0.00 N ATOM 1324 CA ASN A 86 5.766 1.596 -2.152 1.00 0.00 C ATOM 1325 C ASN A 86 4.837 1.186 -1.011 1.00 0.00 C ATOM 1326 O ASN A 86 4.300 2.012 -0.302 1.00 0.00 O ATOM 1327 CB ASN A 86 7.062 2.188 -1.601 1.00 0.00 C ATOM 1328 CG ASN A 86 8.020 2.441 -2.769 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.646 2.105 -3.975 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 9.112 2.939 -2.586 1.00 0.00 N flip ATOM 0 H ASN A 86 4.709 3.416 -2.526 1.00 0.00 H new ATOM 0 HA ASN A 86 5.996 0.707 -2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.858 3.118 -1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.514 1.505 -0.882 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.402 3.201 -1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.740 3.096 -3.375 1.00 0.00 H new ATOM 1480 N THR A 95 9.484 -1.727 -3.770 1.00 0.00 N ATOM 1481 CA THR A 95 9.071 -0.558 -4.598 1.00 0.00 C ATOM 1482 C THR A 95 8.074 -0.976 -5.676 1.00 0.00 C ATOM 1483 O THR A 95 8.164 -2.035 -6.263 1.00 0.00 O ATOM 1484 CB THR A 95 10.294 0.082 -5.262 1.00 0.00 C ATOM 1485 OG1 THR A 95 10.999 0.863 -4.309 1.00 0.00 O ATOM 1486 CG2 THR A 95 9.832 0.973 -6.421 1.00 0.00 C ATOM 0 HA THR A 95 8.593 0.166 -3.937 1.00 0.00 H new ATOM 0 HB THR A 95 10.953 -0.698 -5.643 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.782 1.271 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.700 1.431 -6.896 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.294 0.369 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.173 1.753 -6.040 1.00 0.00 H new ATOM 1494 N VAL A 96 7.129 -0.120 -5.936 1.00 0.00 N ATOM 1495 CA VAL A 96 6.101 -0.397 -6.973 1.00 0.00 C ATOM 1496 C VAL A 96 5.818 0.904 -7.715 1.00 0.00 C ATOM 1497 O VAL A 96 5.646 1.933 -7.105 1.00 0.00 O ATOM 1498 CB VAL A 96 4.822 -0.883 -6.301 1.00 0.00 C ATOM 1499 CG1 VAL A 96 3.676 -0.871 -7.309 1.00 0.00 C ATOM 1500 CG2 VAL A 96 5.028 -2.304 -5.782 1.00 0.00 C ATOM 0 H VAL A 96 7.024 0.778 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 96 6.454 -1.162 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 96 4.578 -0.223 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.763 -1.219 -6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.527 0.144 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.918 -1.529 -8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.114 -2.652 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.274 -2.963 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.844 -2.313 -5.059 1.00 0.00 H new ATOM 1510 N ILE A 97 5.759 0.885 -9.013 1.00 0.00 N ATOM 1511 CA ILE A 97 5.480 2.153 -9.733 1.00 0.00 C ATOM 1512 C ILE A 97 4.094 2.074 -10.349 1.00 0.00 C ATOM 1513 O ILE A 97 3.718 1.080 -10.936 1.00 0.00 O ATOM 1514 CB ILE A 97 6.521 2.381 -10.818 1.00 0.00 C ATOM 1515 CG1 ILE A 97 7.895 1.957 -10.296 1.00 0.00 C ATOM 1516 CG2 ILE A 97 6.552 3.874 -11.166 1.00 0.00 C ATOM 1517 CD1 ILE A 97 8.970 2.413 -11.273 1.00 0.00 C ATOM 0 H ILE A 97 5.889 0.061 -9.599 1.00 0.00 H new ATOM 0 HA ILE A 97 5.524 2.988 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 97 6.271 1.796 -11.703 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.073 2.393 -9.313 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.932 0.874 -10.176 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.295 4.051 -11.944 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.571 4.184 -11.525 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.812 4.449 -10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 97 9.950 2.112 -10.903 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.794 1.956 -12.247 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.937 3.498 -11.370 1.00 0.00 H new ATOM 1529 N TYR A 98 3.329 3.114 -10.203 1.00 0.00 N ATOM 1530 CA TYR A 98 1.947 3.108 -10.750 1.00 0.00 C ATOM 1531 C TYR A 98 1.816 4.157 -11.858 1.00 0.00 C ATOM 1532 O TYR A 98 2.070 5.327 -11.659 1.00 0.00 O ATOM 1533 CB TYR A 98 0.979 3.444 -9.610 1.00 0.00 C ATOM 1534 CG TYR A 98 0.617 2.209 -8.796 1.00 0.00 C ATOM 1535 CD1 TYR A 98 1.233 0.964 -9.025 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.360 2.322 -7.806 1.00 0.00 C ATOM 1537 CE1 TYR A 98 0.864 -0.151 -8.263 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.724 1.209 -7.042 1.00 0.00 C ATOM 1539 CZ TYR A 98 -0.114 -0.027 -7.273 1.00 0.00 C ATOM 1540 OH TYR A 98 -0.480 -1.125 -6.525 1.00 0.00 O ATOM 0 H TYR A 98 3.602 3.973 -9.726 1.00 0.00 H new ATOM 0 HA TYR A 98 1.717 2.128 -11.169 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.431 4.191 -8.957 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.072 3.887 -10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.991 0.869 -9.789 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.838 3.274 -7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.335 -1.107 -8.440 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.477 1.304 -6.273 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.205 -0.877 -5.913 1.00 0.00 H new ATOM 1550 N TRP A 99 1.405 3.734 -13.023 1.00 0.00 N ATOM 1551 CA TRP A 99 1.234 4.682 -14.161 1.00 0.00 C ATOM 1552 C TRP A 99 -0.255 4.788 -14.500 1.00 0.00 C ATOM 1553 O TRP A 99 -1.003 3.847 -14.325 1.00 0.00 O ATOM 1554 CB TRP A 99 1.986 4.158 -15.389 1.00 0.00 C ATOM 1555 CG TRP A 99 3.393 4.665 -15.400 1.00 0.00 C ATOM 1556 CD1 TRP A 99 3.762 5.917 -15.756 1.00 0.00 C ATOM 1557 CD2 TRP A 99 4.624 3.955 -15.062 1.00 0.00 C ATOM 1558 NE1 TRP A 99 5.136 6.020 -15.664 1.00 0.00 N ATOM 1559 CE2 TRP A 99 5.712 4.838 -15.240 1.00 0.00 C ATOM 1560 CE3 TRP A 99 4.901 2.646 -14.629 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 7.029 4.438 -14.994 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 6.226 2.243 -14.380 1.00 0.00 C ATOM 1563 CH2 TRP A 99 7.285 3.139 -14.565 1.00 0.00 C ATOM 0 H TRP A 99 1.178 2.763 -13.237 1.00 0.00 H new ATOM 0 HA TRP A 99 1.629 5.659 -13.882 1.00 0.00 H new ATOM 0 HB2 TRP A 99 1.986 3.068 -15.384 1.00 0.00 H new ATOM 0 HB3 TRP A 99 1.473 4.473 -16.298 1.00 0.00 H new ATOM 0 HD1 TRP A 99 3.092 6.707 -16.062 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.662 6.866 -15.883 1.00 0.00 H new ATOM 0 HE3 TRP A 99 4.091 1.945 -14.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.843 5.133 -15.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.427 1.236 -14.044 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.300 2.823 -14.375 1.00 0.00 H new ATOM 1574 N LEU A 100 -0.693 5.911 -14.999 1.00 0.00 N ATOM 1575 CA LEU A 100 -2.134 6.046 -15.356 1.00 0.00 C ATOM 1576 C LEU A 100 -2.397 5.313 -16.671 1.00 0.00 C ATOM 1577 O LEU A 100 -1.612 5.379 -17.597 1.00 0.00 O ATOM 1578 CB LEU A 100 -2.491 7.530 -15.520 1.00 0.00 C ATOM 1579 CG LEU A 100 -2.795 8.152 -14.156 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -3.109 9.640 -14.334 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.010 7.452 -13.539 1.00 0.00 C ATOM 0 H LEU A 100 -0.120 6.736 -15.174 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.746 5.614 -14.564 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.665 8.060 -15.994 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.355 7.634 -16.176 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.931 8.035 -13.502 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.326 10.085 -13.363 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.250 10.142 -14.780 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.975 9.754 -14.987 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.229 7.893 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.872 7.573 -14.195 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.795 6.391 -13.416 1.00 0.00 H new ATOM 1593 N ALA A 101 -3.496 4.615 -16.765 1.00 0.00 N ATOM 1594 CA ALA A 101 -3.803 3.880 -18.023 1.00 0.00 C ATOM 1595 C ALA A 101 -5.309 3.913 -18.284 1.00 0.00 C ATOM 1596 O ALA A 101 -6.112 3.769 -17.382 1.00 0.00 O ATOM 1597 CB ALA A 101 -3.350 2.421 -17.886 1.00 0.00 C ATOM 0 H ALA A 101 -4.193 4.523 -16.026 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.278 4.354 -18.852 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.574 1.882 -18.807 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.277 2.389 -17.700 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.877 1.953 -17.054 1.00 0.00 H new ATOM 1603 N GLU A 102 -5.694 4.089 -19.517 1.00 0.00 N ATOM 1604 CA GLU A 102 -7.144 4.124 -19.856 1.00 0.00 C ATOM 1605 C GLU A 102 -7.446 3.018 -20.869 1.00 0.00 C ATOM 1606 O GLU A 102 -6.772 2.885 -21.870 1.00 0.00 O ATOM 1607 CB GLU A 102 -7.481 5.483 -20.475 1.00 0.00 C ATOM 1608 CG GLU A 102 -8.986 5.582 -20.729 1.00 0.00 C ATOM 1609 CD GLU A 102 -9.297 6.899 -21.447 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -10.458 7.129 -21.748 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -8.370 7.657 -21.683 1.00 0.00 O ATOM 0 H GLU A 102 -5.063 4.211 -20.309 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.740 3.972 -18.956 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.163 6.285 -19.809 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.937 5.611 -21.411 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.320 4.738 -21.333 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.529 5.533 -19.785 1.00 0.00 H new ATOM 1619 N VAL A 103 -8.460 2.231 -20.631 1.00 0.00 N ATOM 1620 CA VAL A 103 -8.789 1.154 -21.603 1.00 0.00 C ATOM 1621 C VAL A 103 -9.717 1.717 -22.673 1.00 0.00 C ATOM 1622 O VAL A 103 -10.848 2.069 -22.402 1.00 0.00 O ATOM 1623 CB VAL A 103 -9.496 -0.011 -20.898 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -8.548 -0.696 -19.914 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -10.715 0.511 -20.144 1.00 0.00 C ATOM 0 H VAL A 103 -9.068 2.287 -19.814 1.00 0.00 H new ATOM 0 HA VAL A 103 -7.864 0.790 -22.051 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.809 -0.735 -21.650 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.066 -1.520 -19.423 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.682 -1.081 -20.452 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.219 0.024 -19.164 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.216 -0.318 -19.644 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.398 1.244 -19.402 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.404 0.981 -20.846 1.00 0.00 H new ATOM 1635 N LYS A 104 -9.263 1.791 -23.892 1.00 0.00 N ATOM 1636 CA LYS A 104 -10.145 2.311 -24.966 1.00 0.00 C ATOM 1637 C LYS A 104 -11.239 1.278 -25.212 1.00 0.00 C ATOM 1638 O LYS A 104 -12.188 1.509 -25.933 1.00 0.00 O ATOM 1639 CB LYS A 104 -9.328 2.553 -26.234 1.00 0.00 C ATOM 1640 CG LYS A 104 -8.680 1.249 -26.691 1.00 0.00 C ATOM 1641 CD LYS A 104 -7.709 1.537 -27.838 1.00 0.00 C ATOM 1642 CE LYS A 104 -6.388 2.084 -27.274 1.00 0.00 C ATOM 1643 NZ LYS A 104 -5.414 2.288 -28.385 1.00 0.00 N ATOM 0 H LYS A 104 -8.326 1.516 -24.187 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.594 3.260 -24.674 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.971 2.945 -27.022 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.561 3.304 -26.045 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.150 0.783 -25.860 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.445 0.544 -27.016 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.523 0.626 -28.407 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.148 2.259 -28.526 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.565 3.026 -26.755 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.978 1.389 -26.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.521 2.658 -28.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.236 1.381 -28.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.805 2.967 -29.069 1.00 0.00 H new ATOM 1657 N ASP A 105 -11.119 0.139 -24.581 1.00 0.00 N ATOM 1658 CA ASP A 105 -12.153 -0.917 -24.728 1.00 0.00 C ATOM 1659 C ASP A 105 -13.028 -0.922 -23.471 1.00 0.00 C ATOM 1660 O ASP A 105 -12.677 -1.502 -22.462 1.00 0.00 O ATOM 1661 CB ASP A 105 -11.477 -2.283 -24.881 1.00 0.00 C ATOM 1662 CG ASP A 105 -11.023 -2.484 -26.330 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -10.447 -3.522 -26.612 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -11.256 -1.595 -27.133 1.00 0.00 O ATOM 0 H ASP A 105 -10.342 -0.103 -23.967 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.762 -0.719 -25.610 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.621 -2.351 -24.210 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.170 -3.075 -24.595 1.00 0.00 H new ATOM 1670 N TYR A 106 -14.166 -0.284 -23.520 1.00 0.00 N ATOM 1671 CA TYR A 106 -15.059 -0.262 -22.328 1.00 0.00 C ATOM 1672 C TYR A 106 -15.403 -1.704 -21.965 1.00 0.00 C ATOM 1673 O TYR A 106 -15.690 -2.023 -20.828 1.00 0.00 O ATOM 1674 CB TYR A 106 -16.342 0.505 -22.668 1.00 0.00 C ATOM 1675 CG TYR A 106 -17.129 0.777 -21.408 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -17.920 -0.228 -20.840 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -17.062 2.038 -20.805 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -18.644 0.029 -19.668 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -17.785 2.296 -19.635 1.00 0.00 C ATOM 1680 CZ TYR A 106 -18.577 1.292 -19.067 1.00 0.00 C ATOM 1681 OH TYR A 106 -19.288 1.550 -17.913 1.00 0.00 O ATOM 0 H TYR A 106 -14.515 0.222 -24.334 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.564 0.229 -21.490 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.094 1.444 -23.162 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -16.947 -0.073 -23.367 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -17.972 -1.201 -21.305 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.451 2.813 -21.243 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.253 -0.747 -19.228 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -17.732 3.270 -19.171 1.00 0.00 H new ATOM 0 HH TYR A 106 -19.103 2.464 -17.612 1.00 0.00 H new ATOM 1691 N ASP A 107 -15.376 -2.573 -22.936 1.00 0.00 N ATOM 1692 CA ASP A 107 -15.698 -4.004 -22.681 1.00 0.00 C ATOM 1693 C ASP A 107 -14.407 -4.814 -22.563 1.00 0.00 C ATOM 1694 O ASP A 107 -14.418 -6.024 -22.674 1.00 0.00 O ATOM 1695 CB ASP A 107 -16.537 -4.555 -23.836 1.00 0.00 C ATOM 1696 CG ASP A 107 -15.700 -4.565 -25.116 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -14.488 -4.463 -25.013 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -16.285 -4.675 -26.180 1.00 0.00 O ATOM 0 H ASP A 107 -15.143 -2.351 -23.904 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.260 -4.082 -21.750 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.877 -5.564 -23.603 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.428 -3.943 -23.976 1.00 0.00 H new ATOM 1704 N VAL A 108 -13.289 -4.169 -22.351 1.00 0.00 N ATOM 1705 CA VAL A 108 -12.020 -4.938 -22.241 1.00 0.00 C ATOM 1706 C VAL A 108 -12.257 -6.136 -21.338 1.00 0.00 C ATOM 1707 O VAL A 108 -13.026 -6.078 -20.403 1.00 0.00 O ATOM 1708 CB VAL A 108 -10.905 -4.063 -21.660 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -11.257 -3.613 -20.240 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -9.607 -4.870 -21.619 1.00 0.00 C ATOM 0 H VAL A 108 -13.202 -3.158 -22.251 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.710 -5.268 -23.233 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.786 -3.181 -22.290 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.452 -2.993 -19.845 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -12.183 -3.038 -20.260 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -11.387 -4.488 -19.603 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.808 -4.254 -21.206 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.746 -5.751 -20.992 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.340 -5.181 -22.629 1.00 0.00 H new ATOM 1720 N GLU A 109 -11.613 -7.227 -21.615 1.00 0.00 N ATOM 1721 CA GLU A 109 -11.820 -8.423 -20.767 1.00 0.00 C ATOM 1722 C GLU A 109 -10.632 -8.607 -19.845 1.00 0.00 C ATOM 1723 O GLU A 109 -9.555 -8.997 -20.248 1.00 0.00 O ATOM 1724 CB GLU A 109 -11.991 -9.661 -21.643 1.00 0.00 C ATOM 1725 CG GLU A 109 -12.332 -10.859 -20.757 1.00 0.00 C ATOM 1726 CD GLU A 109 -13.698 -10.632 -20.102 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -13.933 -11.205 -19.052 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -14.482 -9.883 -20.661 1.00 0.00 O ATOM 0 H GLU A 109 -10.956 -7.343 -22.387 1.00 0.00 H new ATOM 0 HA GLU A 109 -12.721 -8.284 -20.170 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.782 -9.497 -22.375 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.076 -9.855 -22.202 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.348 -11.773 -21.351 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.566 -10.990 -19.992 1.00 0.00 H new ATOM 1736 N ILE A 110 -10.838 -8.329 -18.601 1.00 0.00 N ATOM 1737 CA ILE A 110 -9.752 -8.476 -17.610 1.00 0.00 C ATOM 1738 C ILE A 110 -9.477 -9.957 -17.389 1.00 0.00 C ATOM 1739 O ILE A 110 -9.996 -10.567 -16.477 1.00 0.00 O ATOM 1740 CB ILE A 110 -10.210 -7.842 -16.311 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -10.076 -6.324 -16.414 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -9.363 -8.363 -15.153 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -10.658 -5.849 -17.731 1.00 0.00 C ATOM 0 H ILE A 110 -11.726 -8.001 -18.221 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.841 -7.992 -17.962 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.253 -8.101 -16.128 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.594 -5.846 -15.583 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.027 -6.036 -16.344 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.697 -7.904 -14.223 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.470 -9.445 -15.082 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.316 -8.112 -15.326 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.561 -4.766 -17.802 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.120 -6.316 -18.556 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -11.712 -6.123 -17.783 1.00 0.00 H new ATOM 1755 N ARG A 111 -8.652 -10.542 -18.201 1.00 0.00 N ATOM 1756 CA ARG A 111 -8.344 -11.980 -18.006 1.00 0.00 C ATOM 1757 C ARG A 111 -7.313 -12.103 -16.893 1.00 0.00 C ATOM 1758 O ARG A 111 -6.287 -11.450 -16.909 1.00 0.00 O ATOM 1759 CB ARG A 111 -7.809 -12.572 -19.308 1.00 0.00 C ATOM 1760 CG ARG A 111 -8.984 -13.135 -20.105 1.00 0.00 C ATOM 1761 CD ARG A 111 -8.566 -13.351 -21.557 1.00 0.00 C ATOM 1762 NE ARG A 111 -9.720 -13.898 -22.321 1.00 0.00 N ATOM 1763 CZ ARG A 111 -10.135 -15.113 -22.087 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -9.532 -15.847 -21.191 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -11.155 -15.589 -22.746 1.00 0.00 N ATOM 0 H ARG A 111 -8.180 -10.093 -18.986 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.244 -12.529 -17.729 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.291 -11.807 -19.887 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -7.084 -13.358 -19.097 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.314 -14.077 -19.668 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.829 -12.449 -20.058 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.236 -12.410 -21.997 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.722 -14.039 -21.607 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.185 -13.325 -23.025 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.737 -15.471 -20.674 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -9.856 -16.797 -21.008 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -11.626 -15.012 -23.443 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -11.481 -16.538 -22.565 1.00 0.00 H new ATOM 1779 N LEU A 112 -7.588 -12.911 -15.911 1.00 0.00 N ATOM 1780 CA LEU A 112 -6.628 -13.042 -14.784 1.00 0.00 C ATOM 1781 C LEU A 112 -5.769 -14.286 -14.979 1.00 0.00 C ATOM 1782 O LEU A 112 -6.217 -15.398 -14.785 1.00 0.00 O ATOM 1783 CB LEU A 112 -7.395 -13.159 -13.462 1.00 0.00 C ATOM 1784 CG LEU A 112 -8.532 -12.134 -13.429 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -9.153 -12.095 -12.030 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -7.986 -10.750 -13.783 1.00 0.00 C ATOM 0 H LEU A 112 -8.430 -13.483 -15.840 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.989 -12.160 -14.758 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.798 -14.166 -13.353 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.719 -12.993 -12.623 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.294 -12.420 -14.154 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.962 -11.364 -12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.548 -13.080 -11.780 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.392 -11.813 -11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.797 -10.022 -13.759 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.221 -10.465 -13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.551 -10.775 -14.782 1.00 0.00 H new ATOM 1798 N SER A 113 -4.533 -14.107 -15.339 1.00 0.00 N ATOM 1799 CA SER A 113 -3.632 -15.275 -15.528 1.00 0.00 C ATOM 1800 C SER A 113 -3.118 -15.722 -14.158 1.00 0.00 C ATOM 1801 O SER A 113 -3.339 -15.063 -13.163 1.00 0.00 O ATOM 1802 CB SER A 113 -2.449 -14.875 -16.409 1.00 0.00 C ATOM 1803 OG SER A 113 -2.923 -14.500 -17.695 1.00 0.00 O ATOM 0 H SER A 113 -4.105 -13.198 -15.512 1.00 0.00 H new ATOM 0 HA SER A 113 -4.175 -16.089 -16.009 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.906 -14.047 -15.954 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.749 -15.706 -16.496 1.00 0.00 H new ATOM 0 HG SER A 113 -2.165 -14.242 -18.260 1.00 0.00 H new ATOM 1809 N HIS A 114 -2.438 -16.836 -14.093 1.00 0.00 N ATOM 1810 CA HIS A 114 -1.920 -17.310 -12.778 1.00 0.00 C ATOM 1811 C HIS A 114 -1.412 -16.112 -11.967 1.00 0.00 C ATOM 1812 O HIS A 114 -0.301 -15.655 -12.141 1.00 0.00 O ATOM 1813 CB HIS A 114 -0.776 -18.303 -12.997 1.00 0.00 C ATOM 1814 CG HIS A 114 0.329 -18.012 -12.022 1.00 0.00 C ATOM 1815 ND1 HIS A 114 1.520 -17.342 -12.162 1.00 0.00 N flip ATOM 1816 CD2 HIS A 114 0.269 -18.407 -10.693 1.00 0.00 C flip ATOM 1817 CE1 HIS A 114 2.185 -17.321 -10.944 1.00 0.00 C flip ATOM 1818 NE2 HIS A 114 1.397 -17.978 -10.092 1.00 0.00 N flip ATOM 0 H HIS A 114 -2.220 -17.435 -14.889 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.724 -17.805 -12.233 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.135 -19.324 -12.863 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.404 -18.227 -14.019 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -0.534 -18.957 -10.226 1.00 0.00 H new ATOM 0 HE1 HIS A 114 3.141 -16.867 -10.731 1.00 0.00 H new ATOM 0 HE2 HIS A 114 1.620 -18.136 -9.109 1.00 0.00 H new ATOM 1827 N GLU A 115 -2.224 -15.595 -11.087 1.00 0.00 N ATOM 1828 CA GLU A 115 -1.797 -14.427 -10.263 1.00 0.00 C ATOM 1829 C GLU A 115 -3.008 -13.851 -9.536 1.00 0.00 C ATOM 1830 O GLU A 115 -3.014 -13.703 -8.329 1.00 0.00 O ATOM 1831 CB GLU A 115 -1.195 -13.350 -11.169 1.00 0.00 C ATOM 1832 CG GLU A 115 0.278 -13.149 -10.812 1.00 0.00 C ATOM 1833 CD GLU A 115 0.910 -12.167 -11.803 1.00 0.00 C ATOM 1834 OE1 GLU A 115 2.072 -11.840 -11.623 1.00 0.00 O ATOM 1835 OE2 GLU A 115 0.223 -11.763 -12.727 1.00 0.00 O ATOM 0 H GLU A 115 -3.169 -15.932 -10.902 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.051 -14.751 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.290 -13.644 -12.214 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.740 -12.414 -11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.369 -12.766 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.805 -14.103 -10.842 1.00 0.00 H new ATOM 1843 N HIS A 116 -4.033 -13.522 -10.267 1.00 0.00 N ATOM 1844 CA HIS A 116 -5.249 -12.948 -9.633 1.00 0.00 C ATOM 1845 C HIS A 116 -6.480 -13.731 -10.080 1.00 0.00 C ATOM 1846 O HIS A 116 -6.444 -14.479 -11.036 1.00 0.00 O ATOM 1847 CB HIS A 116 -5.396 -11.488 -10.058 1.00 0.00 C ATOM 1848 CG HIS A 116 -4.294 -10.682 -9.435 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -3.007 -10.677 -9.949 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -4.265 -9.858 -8.340 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -2.261 -9.874 -9.171 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -2.981 -9.350 -8.177 1.00 0.00 N ATOM 0 H HIS A 116 -4.081 -13.626 -11.281 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.157 -13.009 -8.549 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.354 -11.406 -11.144 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.367 -11.102 -9.747 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.109 -9.638 -7.703 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -1.211 -9.678 -9.330 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -2.657 -8.711 -7.451 1.00 0.00 H new ATOM 1861 N GLN A 117 -7.569 -13.561 -9.393 1.00 0.00 N ATOM 1862 CA GLN A 117 -8.811 -14.285 -9.771 1.00 0.00 C ATOM 1863 C GLN A 117 -10.012 -13.393 -9.460 1.00 0.00 C ATOM 1864 O GLN A 117 -11.106 -13.865 -9.223 1.00 0.00 O ATOM 1865 CB GLN A 117 -8.912 -15.589 -8.973 1.00 0.00 C ATOM 1866 CG GLN A 117 -7.730 -16.498 -9.325 1.00 0.00 C ATOM 1867 CD GLN A 117 -7.837 -17.802 -8.531 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -8.672 -17.930 -7.659 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -7.016 -18.783 -8.795 1.00 0.00 N ATOM 0 H GLN A 117 -7.654 -12.949 -8.582 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.793 -14.524 -10.834 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.913 -15.374 -7.904 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -9.852 -16.093 -9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -7.726 -16.710 -10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -6.790 -15.996 -9.096 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -6.314 -18.677 -9.527 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -7.077 -19.655 -8.269 1.00 0.00 H new ATOM 1878 N ALA A 118 -9.810 -12.102 -9.449 1.00 0.00 N ATOM 1879 CA ALA A 118 -10.938 -11.176 -9.142 1.00 0.00 C ATOM 1880 C ALA A 118 -10.641 -9.779 -9.691 1.00 0.00 C ATOM 1881 O ALA A 118 -9.580 -9.233 -9.473 1.00 0.00 O ATOM 1882 CB ALA A 118 -11.102 -11.072 -7.628 1.00 0.00 C ATOM 0 H ALA A 118 -8.915 -11.650 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.847 -11.564 -9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.925 -10.396 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.316 -12.058 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.182 -10.687 -7.188 1.00 0.00 H new ATOM 1888 N TYR A 119 -11.583 -9.186 -10.373 1.00 0.00 N ATOM 1889 CA TYR A 119 -11.367 -7.814 -10.906 1.00 0.00 C ATOM 1890 C TYR A 119 -12.711 -7.089 -10.980 1.00 0.00 C ATOM 1891 O TYR A 119 -13.722 -7.680 -11.301 1.00 0.00 O ATOM 1892 CB TYR A 119 -10.723 -7.895 -12.285 1.00 0.00 C ATOM 1893 CG TYR A 119 -11.727 -8.329 -13.315 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -12.004 -9.688 -13.472 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -12.362 -7.381 -14.127 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -12.919 -10.105 -14.439 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -13.277 -7.797 -15.095 1.00 0.00 C ATOM 1898 CZ TYR A 119 -13.555 -9.159 -15.255 1.00 0.00 C ATOM 1899 OH TYR A 119 -14.455 -9.566 -16.215 1.00 0.00 O ATOM 0 H TYR A 119 -12.494 -9.595 -10.583 1.00 0.00 H new ATOM 0 HA TYR A 119 -10.700 -7.259 -10.247 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -10.312 -6.923 -12.558 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -9.890 -8.598 -12.262 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -11.510 -10.416 -12.845 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -12.144 -6.330 -14.004 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -13.137 -11.156 -14.559 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -13.770 -7.068 -15.721 1.00 0.00 H new ATOM 0 HH TYR A 119 -14.803 -8.783 -16.690 1.00 0.00 H new ATOM 1909 N ARG A 120 -12.741 -5.819 -10.671 1.00 0.00 N ATOM 1910 CA ARG A 120 -14.038 -5.083 -10.709 1.00 0.00 C ATOM 1911 C ARG A 120 -13.839 -3.674 -11.255 1.00 0.00 C ATOM 1912 O ARG A 120 -12.762 -3.119 -11.198 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.585 -4.935 -9.289 1.00 0.00 C ATOM 1914 CG ARG A 120 -14.623 -6.286 -8.586 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.978 -6.068 -7.110 1.00 0.00 C ATOM 1916 NE ARG A 120 -16.448 -5.845 -6.979 1.00 0.00 N ATOM 1917 CZ ARG A 120 -16.919 -5.097 -6.013 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.104 -4.530 -5.165 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -18.206 -4.918 -5.895 1.00 0.00 N ATOM 0 H ARG A 120 -11.931 -5.264 -10.396 1.00 0.00 H new ATOM 0 HA ARG A 120 -14.722 -5.646 -11.344 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.962 -4.242 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.587 -4.508 -9.322 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -15.359 -6.936 -9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -13.657 -6.783 -8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.677 -6.934 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -14.433 -5.210 -6.717 1.00 0.00 H new ATOM 0 HE ARG A 120 -17.088 -6.277 -7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.097 -4.669 -5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.474 -3.948 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -18.845 -5.361 -6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -18.573 -4.335 -5.143 1.00 0.00 H new ATOM 1933 N TRP A 121 -14.892 -3.073 -11.726 1.00 0.00 N ATOM 1934 CA TRP A 121 -14.804 -1.674 -12.216 1.00 0.00 C ATOM 1935 C TRP A 121 -15.546 -0.799 -11.205 1.00 0.00 C ATOM 1936 O TRP A 121 -16.760 -0.809 -11.145 1.00 0.00 O ATOM 1937 CB TRP A 121 -15.459 -1.570 -13.594 1.00 0.00 C ATOM 1938 CG TRP A 121 -14.536 -2.134 -14.621 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -14.636 -3.364 -15.176 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -13.371 -1.506 -15.225 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -13.601 -3.530 -16.081 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -12.793 -2.412 -16.143 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -12.765 -0.250 -15.060 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -11.654 -2.077 -16.877 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -11.620 0.086 -15.794 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -11.064 -0.825 -16.698 1.00 0.00 C ATOM 0 H TRP A 121 -15.818 -3.495 -11.793 1.00 0.00 H new ATOM 0 HA TRP A 121 -13.767 -1.352 -12.312 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -16.405 -2.111 -13.602 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -15.686 -0.529 -13.824 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -15.398 -4.096 -14.950 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -13.454 -4.374 -16.634 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -13.184 0.461 -14.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -11.232 -2.782 -17.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -11.163 1.056 -15.661 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -10.179 -0.560 -17.257 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.830 -0.076 -10.378 1.00 0.00 N ATOM 1958 CA LEU A 122 -15.510 0.752 -9.340 1.00 0.00 C ATOM 1959 C LEU A 122 -15.039 2.209 -9.399 1.00 0.00 C ATOM 1960 O LEU A 122 -14.119 2.551 -10.111 1.00 0.00 O ATOM 1961 CB LEU A 122 -15.181 0.203 -7.950 1.00 0.00 C ATOM 1962 CG LEU A 122 -14.655 -1.232 -8.040 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -13.260 -1.293 -7.421 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -15.593 -2.178 -7.282 1.00 0.00 C ATOM 0 H LEU A 122 -13.811 -0.025 -10.378 1.00 0.00 H new ATOM 0 HA LEU A 122 -16.582 0.711 -9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.436 0.838 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -16.073 0.229 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.609 -1.538 -9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.879 -2.313 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.592 -0.623 -7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.312 -0.987 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -15.214 -3.198 -7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.644 -1.878 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -16.589 -2.132 -7.721 1.00 0.00 H new ATOM 1976 N GLY A 123 -15.670 3.063 -8.628 1.00 0.00 N ATOM 1977 CA GLY A 123 -15.280 4.503 -8.603 1.00 0.00 C ATOM 1978 C GLY A 123 -14.125 4.708 -7.620 1.00 0.00 C ATOM 1979 O GLY A 123 -13.622 3.773 -7.032 1.00 0.00 O ATOM 0 H GLY A 123 -16.445 2.819 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.983 4.827 -9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -16.133 5.116 -8.310 1.00 0.00 H new ATOM 1983 N LEU A 124 -13.698 5.929 -7.448 1.00 0.00 N ATOM 1984 CA LEU A 124 -12.571 6.214 -6.514 1.00 0.00 C ATOM 1985 C LEU A 124 -12.895 5.728 -5.101 1.00 0.00 C ATOM 1986 O LEU A 124 -12.105 5.059 -4.469 1.00 0.00 O ATOM 1987 CB LEU A 124 -12.328 7.723 -6.482 1.00 0.00 C ATOM 1988 CG LEU A 124 -11.384 8.092 -5.327 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -10.125 7.220 -5.352 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -10.971 9.560 -5.461 1.00 0.00 C ATOM 0 H LEU A 124 -14.084 6.748 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 124 -11.682 5.689 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.898 8.048 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -13.276 8.248 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.909 7.928 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.472 7.500 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -10.407 6.172 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.599 7.367 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.301 9.826 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.459 9.709 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -11.858 10.192 -5.423 1.00 0.00 H new ATOM 2002 N GLU A 125 -14.039 6.074 -4.590 1.00 0.00 N ATOM 2003 CA GLU A 125 -14.388 5.649 -3.206 1.00 0.00 C ATOM 2004 C GLU A 125 -14.341 4.125 -3.088 1.00 0.00 C ATOM 2005 O GLU A 125 -13.684 3.589 -2.219 1.00 0.00 O ATOM 2006 CB GLU A 125 -15.784 6.167 -2.853 1.00 0.00 C ATOM 2007 CG GLU A 125 -16.853 5.286 -3.499 1.00 0.00 C ATOM 2008 CD GLU A 125 -18.222 5.947 -3.325 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -19.189 5.411 -3.843 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -18.281 6.980 -2.679 1.00 0.00 O ATOM 0 H GLU A 125 -14.748 6.631 -5.067 1.00 0.00 H new ATOM 0 HA GLU A 125 -13.662 6.067 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.914 6.175 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.895 7.196 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.635 5.146 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.852 4.297 -3.040 1.00 0.00 H new ATOM 2018 N GLU A 126 -15.014 3.419 -3.949 1.00 0.00 N ATOM 2019 CA GLU A 126 -14.979 1.934 -3.860 1.00 0.00 C ATOM 2020 C GLU A 126 -13.546 1.459 -4.083 1.00 0.00 C ATOM 2021 O GLU A 126 -13.088 0.516 -3.476 1.00 0.00 O ATOM 2022 CB GLU A 126 -15.886 1.332 -4.925 1.00 0.00 C ATOM 2023 CG GLU A 126 -15.928 -0.178 -4.740 1.00 0.00 C ATOM 2024 CD GLU A 126 -17.224 -0.737 -5.331 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -17.502 -1.899 -5.096 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -17.920 0.011 -6.001 1.00 0.00 O ATOM 0 H GLU A 126 -15.583 3.801 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 126 -15.327 1.617 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -16.890 1.750 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.516 1.580 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -15.068 -0.637 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -15.864 -0.426 -3.680 1.00 0.00 H new ATOM 2034 N ALA A 127 -12.832 2.113 -4.947 1.00 0.00 N ATOM 2035 CA ALA A 127 -11.425 1.718 -5.193 1.00 0.00 C ATOM 2036 C ALA A 127 -10.616 2.030 -3.934 1.00 0.00 C ATOM 2037 O ALA A 127 -9.621 1.397 -3.639 1.00 0.00 O ATOM 2038 CB ALA A 127 -10.879 2.530 -6.368 1.00 0.00 C ATOM 0 H ALA A 127 -13.163 2.907 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 127 -11.358 0.656 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.844 2.246 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.477 2.331 -7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.926 3.592 -6.129 1.00 0.00 H new ATOM 2044 N CYS A 128 -11.043 3.018 -3.195 1.00 0.00 N ATOM 2045 CA CYS A 128 -10.314 3.405 -1.957 1.00 0.00 C ATOM 2046 C CYS A 128 -10.473 2.324 -0.878 1.00 0.00 C ATOM 2047 O CYS A 128 -9.536 2.008 -0.176 1.00 0.00 O ATOM 2048 CB CYS A 128 -10.870 4.735 -1.442 1.00 0.00 C ATOM 2049 SG CYS A 128 -10.887 4.729 0.369 1.00 0.00 S ATOM 0 H CYS A 128 -11.872 3.577 -3.399 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.254 3.511 -2.186 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -10.260 5.561 -1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -11.879 4.891 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 128 -11.358 5.861 0.802 1.00 0.00 H new ATOM 2055 N GLN A 129 -11.642 1.752 -0.733 1.00 0.00 N ATOM 2056 CA GLN A 129 -11.813 0.697 0.313 1.00 0.00 C ATOM 2057 C GLN A 129 -10.993 -0.527 -0.077 1.00 0.00 C ATOM 2058 O GLN A 129 -10.233 -1.064 0.704 1.00 0.00 O ATOM 2059 CB GLN A 129 -13.285 0.272 0.436 1.00 0.00 C ATOM 2060 CG GLN A 129 -14.087 0.749 -0.774 1.00 0.00 C ATOM 2061 CD GLN A 129 -14.703 2.118 -0.472 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -14.031 3.004 0.015 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -15.964 2.328 -0.743 1.00 0.00 N ATOM 0 H GLN A 129 -12.474 1.965 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 129 -11.480 1.105 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -13.350 -0.813 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -13.713 0.686 1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.440 0.815 -1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -14.871 0.030 -1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.529 1.584 -1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -16.384 3.236 -0.545 1.00 0.00 H new ATOM 2072 N LEU A 130 -11.158 -0.980 -1.282 1.00 0.00 N ATOM 2073 CA LEU A 130 -10.409 -2.178 -1.733 1.00 0.00 C ATOM 2074 C LEU A 130 -8.907 -1.931 -1.600 1.00 0.00 C ATOM 2075 O LEU A 130 -8.177 -2.761 -1.094 1.00 0.00 O ATOM 2076 CB LEU A 130 -10.756 -2.448 -3.192 1.00 0.00 C ATOM 2077 CG LEU A 130 -12.274 -2.537 -3.351 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -12.613 -2.739 -4.820 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -12.827 -3.716 -2.550 1.00 0.00 C ATOM 0 H LEU A 130 -11.782 -0.571 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 130 -10.680 -3.037 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.360 -1.653 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -10.291 -3.377 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 130 -12.720 -1.613 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -13.695 -2.803 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -12.234 -1.898 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -12.154 -3.661 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.909 -3.765 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -12.378 -4.642 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.589 -3.583 -1.495 1.00 0.00 H new ATOM 2091 N ALA A 131 -8.436 -0.801 -2.043 1.00 0.00 N ATOM 2092 CA ALA A 131 -6.980 -0.527 -1.925 1.00 0.00 C ATOM 2093 C ALA A 131 -6.602 -0.489 -0.445 1.00 0.00 C ATOM 2094 O ALA A 131 -5.775 -1.246 0.016 1.00 0.00 O ATOM 2095 CB ALA A 131 -6.657 0.818 -2.569 1.00 0.00 C ATOM 0 H ALA A 131 -8.990 -0.063 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.416 -1.310 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.589 1.016 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -6.936 0.793 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.215 1.606 -2.064 1.00 0.00 H new ATOM 2101 N GLN A 132 -7.222 0.377 0.305 1.00 0.00 N ATOM 2102 CA GLN A 132 -6.922 0.453 1.761 1.00 0.00 C ATOM 2103 C GLN A 132 -5.476 0.921 1.989 1.00 0.00 C ATOM 2104 O GLN A 132 -5.047 1.099 3.110 1.00 0.00 O ATOM 2105 CB GLN A 132 -7.145 -0.930 2.388 1.00 0.00 C ATOM 2106 CG GLN A 132 -5.824 -1.521 2.892 1.00 0.00 C ATOM 2107 CD GLN A 132 -6.066 -2.957 3.363 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -6.758 -3.181 4.336 1.00 0.00 O ATOM 2109 NE2 GLN A 132 -5.517 -3.949 2.714 1.00 0.00 N ATOM 0 H GLN A 132 -7.925 1.037 -0.028 1.00 0.00 H new ATOM 0 HA GLN A 132 -7.586 1.177 2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -7.851 -0.849 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -7.591 -1.600 1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -5.078 -1.506 2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -5.430 -0.918 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -4.935 -3.764 1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.670 -4.908 3.025 1.00 0.00 H new ATOM 2118 N PHE A 133 -4.717 1.126 0.943 1.00 0.00 N ATOM 2119 CA PHE A 133 -3.311 1.584 1.139 1.00 0.00 C ATOM 2120 C PHE A 133 -3.247 3.100 0.949 1.00 0.00 C ATOM 2121 O PHE A 133 -3.869 3.652 0.064 1.00 0.00 O ATOM 2122 CB PHE A 133 -2.391 0.909 0.120 1.00 0.00 C ATOM 2123 CG PHE A 133 -2.742 -0.555 0.012 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -2.276 -1.459 0.971 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -3.532 -1.007 -1.053 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -2.599 -2.817 0.869 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -3.855 -2.365 -1.155 1.00 0.00 C ATOM 2128 CZ PHE A 133 -3.388 -3.269 -0.194 1.00 0.00 C ATOM 0 H PHE A 133 -5.006 0.998 -0.027 1.00 0.00 H new ATOM 0 HA PHE A 133 -2.984 1.319 2.145 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -2.494 1.391 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -1.350 1.022 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.666 -1.109 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -3.891 -0.309 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -2.239 -3.515 1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -4.464 -2.715 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.637 -4.317 -0.273 1.00 0.00 H new ATOM 2138 N LYS A 134 -2.510 3.780 1.781 1.00 0.00 N ATOM 2139 CA LYS A 134 -2.416 5.262 1.658 1.00 0.00 C ATOM 2140 C LYS A 134 -1.902 5.646 0.273 1.00 0.00 C ATOM 2141 O LYS A 134 -2.420 6.543 -0.363 1.00 0.00 O ATOM 2142 CB LYS A 134 -1.447 5.792 2.716 1.00 0.00 C ATOM 2143 CG LYS A 134 -1.524 7.321 2.768 1.00 0.00 C ATOM 2144 CD LYS A 134 -0.318 7.863 3.537 1.00 0.00 C ATOM 2145 CE LYS A 134 -0.400 7.434 5.005 1.00 0.00 C ATOM 2146 NZ LYS A 134 0.463 6.238 5.212 1.00 0.00 N ATOM 0 H LYS A 134 -1.967 3.373 2.543 1.00 0.00 H new ATOM 0 HA LYS A 134 -3.406 5.695 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.694 5.373 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -0.430 5.477 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -1.539 7.730 1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -2.449 7.634 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 134 0.605 7.492 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -0.290 8.950 3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -0.076 8.248 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -1.431 7.204 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.056 5.527 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 0.726 5.836 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 1.323 6.516 5.726 1.00 0.00 H new ATOM 2160 N GLU A 135 -0.883 4.987 -0.204 1.00 0.00 N ATOM 2161 CA GLU A 135 -0.351 5.340 -1.545 1.00 0.00 C ATOM 2162 C GLU A 135 -1.375 4.976 -2.615 1.00 0.00 C ATOM 2163 O GLU A 135 -1.661 5.757 -3.494 1.00 0.00 O ATOM 2164 CB GLU A 135 0.949 4.584 -1.799 1.00 0.00 C ATOM 2165 CG GLU A 135 2.008 5.020 -0.783 1.00 0.00 C ATOM 2166 CD GLU A 135 3.330 4.317 -1.098 1.00 0.00 C ATOM 2167 OE1 GLU A 135 4.346 4.744 -0.576 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.300 3.360 -1.855 1.00 0.00 O ATOM 0 H GLU A 135 -0.400 4.226 0.274 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.156 6.412 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.777 3.510 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.302 4.778 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.140 6.101 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.683 4.772 0.227 1.00 0.00 H new ATOM 2176 N MET A 136 -1.943 3.800 -2.546 1.00 0.00 N ATOM 2177 CA MET A 136 -2.950 3.412 -3.571 1.00 0.00 C ATOM 2178 C MET A 136 -4.114 4.388 -3.538 1.00 0.00 C ATOM 2179 O MET A 136 -4.549 4.882 -4.561 1.00 0.00 O ATOM 2180 CB MET A 136 -3.499 2.024 -3.264 1.00 0.00 C ATOM 2181 CG MET A 136 -2.484 0.957 -3.659 1.00 0.00 C ATOM 2182 SD MET A 136 -3.219 -0.176 -4.868 1.00 0.00 S ATOM 2183 CE MET A 136 -4.051 1.056 -5.906 1.00 0.00 C ATOM 0 H MET A 136 -1.754 3.099 -1.830 1.00 0.00 H new ATOM 0 HA MET A 136 -2.468 3.420 -4.549 1.00 0.00 H new ATOM 0 HB2 MET A 136 -3.728 1.943 -2.202 1.00 0.00 H new ATOM 0 HB3 MET A 136 -4.432 1.866 -3.805 1.00 0.00 H new ATOM 0 HG2 MET A 136 -1.595 1.426 -4.081 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.163 0.403 -2.777 1.00 0.00 H new ATOM 0 HE1 MET A 136 -4.166 0.663 -6.916 1.00 0.00 H new ATOM 0 HE2 MET A 136 -5.033 1.279 -5.489 1.00 0.00 H new ATOM 0 HE3 MET A 136 -3.455 1.968 -5.937 1.00 0.00 H new ATOM 2193 N LYS A 137 -4.622 4.673 -2.376 1.00 0.00 N ATOM 2194 CA LYS A 137 -5.754 5.619 -2.293 1.00 0.00 C ATOM 2195 C LYS A 137 -5.308 6.941 -2.904 1.00 0.00 C ATOM 2196 O LYS A 137 -6.004 7.538 -3.696 1.00 0.00 O ATOM 2197 CB LYS A 137 -6.148 5.825 -0.829 1.00 0.00 C ATOM 2198 CG LYS A 137 -7.388 6.714 -0.759 1.00 0.00 C ATOM 2199 CD LYS A 137 -7.922 6.730 0.672 1.00 0.00 C ATOM 2200 CE LYS A 137 -6.921 7.429 1.593 1.00 0.00 C ATOM 2201 NZ LYS A 137 -7.595 7.789 2.872 1.00 0.00 N ATOM 0 H LYS A 137 -4.302 4.292 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.618 5.229 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -6.349 4.864 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -5.326 6.285 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -7.141 7.727 -1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -8.154 6.343 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -8.882 7.246 0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -8.096 5.710 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -6.071 6.775 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -6.530 8.325 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -6.916 8.265 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -8.392 8.428 2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -7.948 6.926 3.333 1.00 0.00 H new ATOM 2215 N ALA A 138 -4.131 7.389 -2.554 1.00 0.00 N ATOM 2216 CA ALA A 138 -3.617 8.664 -3.126 1.00 0.00 C ATOM 2217 C ALA A 138 -3.220 8.445 -4.588 1.00 0.00 C ATOM 2218 O ALA A 138 -3.535 9.244 -5.449 1.00 0.00 O ATOM 2219 CB ALA A 138 -2.398 9.126 -2.331 1.00 0.00 C ATOM 0 H ALA A 138 -3.504 6.925 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 138 -4.395 9.425 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -2.022 10.059 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -2.681 9.284 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.619 8.365 -2.384 1.00 0.00 H new ATOM 2225 N ALA A 139 -2.538 7.364 -4.888 1.00 0.00 N ATOM 2226 CA ALA A 139 -2.142 7.115 -6.303 1.00 0.00 C ATOM 2227 C ALA A 139 -3.406 7.107 -7.154 1.00 0.00 C ATOM 2228 O ALA A 139 -3.455 7.675 -8.227 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.443 5.759 -6.421 1.00 0.00 C ATOM 0 H ALA A 139 -2.243 6.653 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.457 7.893 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.157 5.586 -7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.552 5.753 -5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -2.121 4.970 -6.095 1.00 0.00 H new ATOM 2235 N LEU A 140 -4.438 6.484 -6.663 1.00 0.00 N ATOM 2236 CA LEU A 140 -5.719 6.452 -7.411 1.00 0.00 C ATOM 2237 C LEU A 140 -6.328 7.853 -7.392 1.00 0.00 C ATOM 2238 O LEU A 140 -6.834 8.342 -8.383 1.00 0.00 O ATOM 2239 CB LEU A 140 -6.680 5.481 -6.727 1.00 0.00 C ATOM 2240 CG LEU A 140 -6.441 4.064 -7.244 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -6.781 3.065 -6.143 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -7.349 3.806 -8.443 1.00 0.00 C ATOM 0 H LEU A 140 -4.447 5.993 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 140 -5.544 6.129 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -6.536 5.513 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -7.711 5.779 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 140 -5.397 3.953 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -6.612 2.051 -6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -6.147 3.250 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.827 3.179 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -7.182 2.795 -8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.391 3.913 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -7.124 4.525 -9.231 1.00 0.00 H new ATOM 2254 N GLN A 141 -6.276 8.502 -6.260 1.00 0.00 N ATOM 2255 CA GLN A 141 -6.843 9.873 -6.151 1.00 0.00 C ATOM 2256 C GLN A 141 -5.991 10.839 -6.969 1.00 0.00 C ATOM 2257 O GLN A 141 -6.497 11.629 -7.741 1.00 0.00 O ATOM 2258 CB GLN A 141 -6.858 10.295 -4.676 1.00 0.00 C ATOM 2259 CG GLN A 141 -6.229 11.680 -4.506 1.00 0.00 C ATOM 2260 CD GLN A 141 -6.306 12.089 -3.034 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -7.007 11.363 -2.206 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -5.726 13.076 -2.633 1.00 0.00 N flip ATOM 0 H GLN A 141 -5.862 8.137 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 141 -7.862 9.888 -6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -7.883 10.307 -4.306 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -6.312 9.566 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.191 11.665 -4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -6.751 12.409 -5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -5.178 13.644 -3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -5.786 13.338 -1.649 1.00 0.00 H new ATOM 2271 N GLU A 142 -4.699 10.773 -6.820 1.00 0.00 N ATOM 2272 CA GLU A 142 -3.820 11.677 -7.602 1.00 0.00 C ATOM 2273 C GLU A 142 -4.000 11.355 -9.083 1.00 0.00 C ATOM 2274 O GLU A 142 -3.963 12.224 -9.930 1.00 0.00 O ATOM 2275 CB GLU A 142 -2.363 11.459 -7.184 1.00 0.00 C ATOM 2276 CG GLU A 142 -2.175 11.951 -5.747 1.00 0.00 C ATOM 2277 CD GLU A 142 -0.728 11.714 -5.307 1.00 0.00 C ATOM 2278 OE1 GLU A 142 -0.318 12.327 -4.336 1.00 0.00 O ATOM 2279 OE2 GLU A 142 -0.060 10.918 -5.943 1.00 0.00 O ATOM 0 H GLU A 142 -4.216 10.132 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 142 -4.081 12.719 -7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -2.105 10.402 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -1.694 11.997 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -2.417 13.012 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -2.859 11.426 -5.080 1.00 0.00 H new ATOM 2287 N GLY A 143 -4.217 10.107 -9.399 1.00 0.00 N ATOM 2288 CA GLY A 143 -4.427 9.732 -10.821 1.00 0.00 C ATOM 2289 C GLY A 143 -5.720 10.382 -11.308 1.00 0.00 C ATOM 2290 O GLY A 143 -5.772 10.962 -12.374 1.00 0.00 O ATOM 0 H GLY A 143 -4.257 9.335 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.585 10.063 -11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.486 8.648 -10.922 1.00 0.00 H new ATOM 2294 N HIS A 144 -6.758 10.303 -10.521 1.00 0.00 N ATOM 2295 CA HIS A 144 -8.050 10.926 -10.920 1.00 0.00 C ATOM 2296 C HIS A 144 -7.831 12.421 -11.140 1.00 0.00 C ATOM 2297 O HIS A 144 -8.418 13.023 -12.018 1.00 0.00 O ATOM 2298 CB HIS A 144 -9.079 10.730 -9.802 1.00 0.00 C ATOM 2299 CG HIS A 144 -10.143 9.760 -10.243 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -10.657 8.788 -9.393 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -10.807 9.603 -11.435 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -11.584 8.098 -10.078 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -11.712 8.555 -11.324 1.00 0.00 N ATOM 0 H HIS A 144 -6.766 9.832 -9.616 1.00 0.00 H new ATOM 0 HA HIS A 144 -8.414 10.462 -11.836 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -8.586 10.357 -8.904 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -9.533 11.687 -9.543 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -10.380 8.628 -8.424 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -10.650 10.201 -12.320 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -12.154 7.276 -9.671 1.00 0.00 H new ATOM 2312 N GLN A 145 -6.996 13.026 -10.345 1.00 0.00 N ATOM 2313 CA GLN A 145 -6.742 14.485 -10.500 1.00 0.00 C ATOM 2314 C GLN A 145 -6.306 14.784 -11.932 1.00 0.00 C ATOM 2315 O GLN A 145 -6.823 15.675 -12.577 1.00 0.00 O ATOM 2316 CB GLN A 145 -5.629 14.903 -9.540 1.00 0.00 C ATOM 2317 CG GLN A 145 -5.311 16.384 -9.742 1.00 0.00 C ATOM 2318 CD GLN A 145 -4.404 16.868 -8.609 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -4.187 16.161 -7.645 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -3.858 18.052 -8.683 1.00 0.00 N ATOM 0 H GLN A 145 -6.477 12.573 -9.593 1.00 0.00 H new ATOM 0 HA GLN A 145 -7.655 15.037 -10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -5.936 14.723 -8.510 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -4.737 14.301 -9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -4.821 16.534 -10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -6.232 16.966 -9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -4.039 18.647 -9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -3.251 18.381 -7.933 1.00 0.00 H new ATOM 2329 N PHE A 146 -5.358 14.048 -12.429 1.00 0.00 N ATOM 2330 CA PHE A 146 -4.878 14.285 -13.817 1.00 0.00 C ATOM 2331 C PHE A 146 -6.024 14.050 -14.802 1.00 0.00 C ATOM 2332 O PHE A 146 -6.259 14.847 -15.687 1.00 0.00 O ATOM 2333 CB PHE A 146 -3.735 13.314 -14.132 1.00 0.00 C ATOM 2334 CG PHE A 146 -3.027 13.745 -15.397 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.652 13.601 -16.642 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.740 14.292 -15.322 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -2.990 13.999 -17.807 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.082 14.688 -16.494 1.00 0.00 C ATOM 2339 CZ PHE A 146 -1.710 14.540 -17.733 1.00 0.00 C ATOM 0 H PHE A 146 -4.891 13.289 -11.933 1.00 0.00 H new ATOM 0 HA PHE A 146 -4.524 15.312 -13.907 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.030 13.287 -13.301 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -4.127 12.304 -14.250 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.646 13.182 -16.702 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.256 14.408 -14.364 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.473 13.886 -18.766 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.089 15.108 -16.439 1.00 0.00 H new ATOM 0 HZ PHE A 146 -1.201 14.846 -18.635 1.00 0.00 H new ATOM 2349 N LEU A 147 -6.737 12.964 -14.655 1.00 0.00 N ATOM 2350 CA LEU A 147 -7.860 12.675 -15.595 1.00 0.00 C ATOM 2351 C LEU A 147 -8.784 13.890 -15.676 1.00 0.00 C ATOM 2352 O LEU A 147 -9.220 14.277 -16.741 1.00 0.00 O ATOM 2353 CB LEU A 147 -8.646 11.460 -15.095 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.697 10.273 -14.905 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.501 9.023 -14.545 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -6.916 10.019 -16.197 1.00 0.00 C ATOM 0 H LEU A 147 -6.591 12.266 -13.926 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.459 12.461 -16.586 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -9.140 11.697 -14.153 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.428 11.202 -15.809 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.999 10.502 -14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -7.823 8.180 -14.411 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.050 9.198 -13.620 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.204 8.799 -15.348 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.243 9.174 -16.055 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -7.612 9.797 -17.005 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.336 10.906 -16.452 1.00 0.00 H new ATOM 2368 N CYS A 148 -9.075 14.504 -14.564 1.00 0.00 N ATOM 2369 CA CYS A 148 -9.958 15.701 -14.588 1.00 0.00 C ATOM 2370 C CYS A 148 -9.313 16.766 -15.479 1.00 0.00 C ATOM 2371 O CYS A 148 -9.984 17.565 -16.101 1.00 0.00 O ATOM 2372 CB CYS A 148 -10.115 16.249 -13.169 1.00 0.00 C ATOM 2373 SG CYS A 148 -10.885 14.991 -12.118 1.00 0.00 S ATOM 0 H CYS A 148 -8.740 14.229 -13.641 1.00 0.00 H new ATOM 0 HA CYS A 148 -10.940 15.433 -14.978 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -9.142 16.529 -12.766 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -10.726 17.151 -13.182 1.00 0.00 H new ATOM 0 HG CYS A 148 -10.036 14.031 -11.897 1.00 0.00 H new ATOM 2379 N SER A 149 -8.007 16.779 -15.535 1.00 0.00 N ATOM 2380 CA SER A 149 -7.295 17.786 -16.375 1.00 0.00 C ATOM 2381 C SER A 149 -7.286 17.340 -17.839 1.00 0.00 C ATOM 2382 O SER A 149 -6.862 18.070 -18.713 1.00 0.00 O ATOM 2383 CB SER A 149 -5.852 17.910 -15.889 1.00 0.00 C ATOM 2384 OG SER A 149 -5.843 18.295 -14.521 1.00 0.00 O ATOM 0 H SER A 149 -7.400 16.132 -15.032 1.00 0.00 H new ATOM 0 HA SER A 149 -7.808 18.744 -16.293 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.332 16.960 -16.014 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.317 18.647 -16.488 1.00 0.00 H new ATOM 0 HG SER A 149 -4.917 18.373 -14.209 1.00 0.00 H new ATOM 2390 N ILE A 150 -7.736 16.149 -18.117 1.00 0.00 N ATOM 2391 CA ILE A 150 -7.738 15.665 -19.522 1.00 0.00 C ATOM 2392 C ILE A 150 -9.116 15.878 -20.128 1.00 0.00 C ATOM 2393 O ILE A 150 -9.788 16.850 -19.850 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.400 14.178 -19.539 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.155 13.942 -18.689 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.129 13.732 -20.972 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -5.663 12.505 -18.880 1.00 0.00 C ATOM 0 H ILE A 150 -8.103 15.490 -17.430 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.998 16.216 -20.102 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.236 13.606 -19.137 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.372 14.645 -18.972 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.381 14.122 -17.638 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -6.888 12.669 -20.983 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.015 13.909 -21.582 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.291 14.299 -21.377 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -4.774 12.341 -18.271 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.445 11.809 -18.575 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.420 12.340 -19.930 1.00 0.00 H new ATOM 2409 N GLU A 151 -9.543 14.972 -20.947 1.00 0.00 N ATOM 2410 CA GLU A 151 -10.887 15.107 -21.571 1.00 0.00 C ATOM 2411 C GLU A 151 -11.915 14.448 -20.658 1.00 0.00 C ATOM 2412 O GLU A 151 -13.021 14.131 -21.048 1.00 0.00 O ATOM 2413 CB GLU A 151 -10.887 14.444 -22.951 1.00 0.00 C ATOM 2414 CG GLU A 151 -12.251 14.644 -23.605 1.00 0.00 C ATOM 2415 CD GLU A 151 -12.198 14.187 -25.066 1.00 0.00 C ATOM 2416 OE1 GLU A 151 -11.156 13.703 -25.475 1.00 0.00 O ATOM 2417 OE2 GLU A 151 -13.199 14.333 -25.749 1.00 0.00 O ATOM 0 H GLU A 151 -9.021 14.138 -21.216 1.00 0.00 H new ATOM 0 HA GLU A 151 -11.139 16.160 -21.700 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -10.105 14.876 -23.575 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -10.668 13.380 -22.856 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -13.010 14.078 -23.065 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -12.539 15.694 -23.553 1.00 0.00 H new ATOM 2425 N ALA A 152 -11.542 14.240 -19.438 1.00 0.00 N ATOM 2426 CA ALA A 152 -12.469 13.602 -18.465 1.00 0.00 C ATOM 2427 C ALA A 152 -13.607 14.573 -18.128 1.00 0.00 C ATOM 2428 O ALA A 152 -14.752 14.184 -18.017 1.00 0.00 O ATOM 2429 CB ALA A 152 -11.702 13.246 -17.193 1.00 0.00 C ATOM 0 H ALA A 152 -10.626 14.485 -19.063 1.00 0.00 H new ATOM 0 HA ALA A 152 -12.888 12.695 -18.901 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -12.379 12.778 -16.479 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -10.896 12.553 -17.436 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -11.282 14.152 -16.756 1.00 0.00 H new ATOM 2435 N LEU A 153 -13.299 15.835 -17.969 1.00 0.00 N ATOM 2436 CA LEU A 153 -14.363 16.832 -17.643 1.00 0.00 C ATOM 2437 C LEU A 153 -14.226 18.044 -18.570 1.00 0.00 C ATOM 2438 O LEU A 153 -13.347 18.082 -19.428 1.00 0.00 O ATOM 2439 CB LEU A 153 -14.215 17.282 -16.188 1.00 0.00 C ATOM 2440 CG LEU A 153 -14.252 16.067 -15.259 1.00 0.00 C ATOM 2441 CD1 LEU A 153 -13.981 16.520 -13.822 1.00 0.00 C ATOM 2442 CD2 LEU A 153 -15.633 15.408 -15.330 1.00 0.00 C ATOM 0 H LEU A 153 -12.357 16.218 -18.051 1.00 0.00 H new ATOM 0 HA LEU A 153 -15.343 16.376 -17.782 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -13.276 17.821 -16.059 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -15.017 17.973 -15.929 1.00 0.00 H new ATOM 0 HG LEU A 153 -13.491 15.350 -15.569 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -14.007 15.656 -13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -12.999 16.991 -13.768 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -14.744 17.236 -13.516 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -15.658 14.543 -14.668 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -16.394 16.124 -15.020 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -15.831 15.088 -16.353 1.00 0.00 H new