USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS :FLIP no HE2:sc= -1.35 F(o=-4.3!,f=-1.8) USER MOD Set 1.2: A 148 CYS SG : rot 169:sc= -0.464 USER MOD Set 2.1: A 35 GLN : amide:sc= -4.93! C(o=-8.5!,f=-13!) USER MOD Set 2.2: A 117 GLN :FLIP amide:sc= -3.6! C(o=-9.2!,f=-8.5!) USER MOD Set 3.1: A 86 ASN : amide:sc= -3.43! C(o=-3.4!,f=-12!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 47 LYS NZ :NH3+ -100:sc= -6.36! (180deg=-0.478) USER MOD Set 4.2: A 94 LYS NZ :NH3+ -159:sc= -8.93! (180deg=-6.53!) USER MOD Set 5.1: A 42 HIS :FLIP no HD1:sc= 0.152 F(o=-0.59,f=0.39) USER MOD Set 5.2: A 44 THR OG1 : rot -98:sc= 0.233 USER MOD Single : A 11 CYS SG : rot 35:sc= -2.59 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 81:sc= -2.18! USER MOD Single : A 64 THR OG1 : rot 58:sc= -6.2! USER MOD Single : A 65 GLN : amide:sc= -0.0697 K(o=-0.07,f=-3.9!) USER MOD Single : A 74 GLN : amide:sc= -0.759 K(o=-0.76,f=-4.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 178:sc= -1.31! USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= 0.481 (180deg=-1.11!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0904 USER MOD Single : A 114 HIS : no HD1:sc= 0.0615 K(o=0.062,f=-0.68) USER MOD Single : A 116 HIS : no HE2:sc= -2.84! C(o=-2.8!,f=-10!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 129 GLN : amide:sc= -7.17! C(o=-7.2!,f=-10!) USER MOD Single : A 132 GLN :FLIP amide:sc= -4.06! C(o=-5.8!,f=-4.1!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -156:sc= -1.19 (180deg=-2.81) USER MOD Single : A 137 LYS NZ :NH3+ -177:sc= -5.64! (180deg=-6.05!) USER MOD Single : A 141 GLN :FLIP amide:sc= -1.01 F(o=-4.4!,f=-1) USER MOD Single : A 145 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.8) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 8.008 -7.828 4.909 1.00 0.00 N ATOM 87 CA LEU A 8 6.687 -8.248 4.365 1.00 0.00 C ATOM 88 C LEU A 8 5.971 -7.033 3.772 1.00 0.00 C ATOM 89 O LEU A 8 5.989 -5.956 4.333 1.00 0.00 O ATOM 90 CB LEU A 8 5.828 -8.835 5.487 1.00 0.00 C ATOM 91 CG LEU A 8 6.710 -9.585 6.488 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.545 -8.584 7.287 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.817 -10.366 7.449 1.00 0.00 C ATOM 0 HA LEU A 8 6.842 -9.001 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.285 -8.038 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.083 -9.512 5.069 1.00 0.00 H new ATOM 0 HG LEU A 8 7.371 -10.266 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.172 -9.120 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.176 -8.012 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.883 -7.906 7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.437 -10.904 8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.163 -9.675 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.212 -11.078 6.887 1.00 0.00 H new ATOM 105 N ARG A 9 5.331 -7.198 2.648 1.00 0.00 N ATOM 106 CA ARG A 9 4.605 -6.054 2.026 1.00 0.00 C ATOM 107 C ARG A 9 3.174 -6.015 2.571 1.00 0.00 C ATOM 108 O ARG A 9 2.538 -7.037 2.733 1.00 0.00 O ATOM 109 CB ARG A 9 4.572 -6.238 0.508 1.00 0.00 C ATOM 110 CG ARG A 9 4.132 -4.934 -0.158 1.00 0.00 C ATOM 111 CD ARG A 9 3.981 -5.157 -1.663 1.00 0.00 C ATOM 112 NE ARG A 9 5.273 -5.646 -2.221 1.00 0.00 N ATOM 113 CZ ARG A 9 5.284 -6.351 -3.319 1.00 0.00 C ATOM 114 NH1 ARG A 9 4.165 -6.617 -3.936 1.00 0.00 N ATOM 115 NH2 ARG A 9 6.415 -6.790 -3.802 1.00 0.00 N ATOM 0 H ARG A 9 5.279 -8.076 2.132 1.00 0.00 H new ATOM 0 HA ARG A 9 5.113 -5.120 2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.558 -6.528 0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.886 -7.042 0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.187 -4.597 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.865 -4.150 0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.190 -5.882 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.689 -4.228 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 9 6.149 -5.430 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.281 -6.274 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.174 -7.168 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.290 -6.582 -3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.423 -7.341 -4.660 1.00 0.00 H new ATOM 129 N ALA A 10 2.661 -4.850 2.857 1.00 0.00 N ATOM 130 CA ALA A 10 1.272 -4.770 3.393 1.00 0.00 C ATOM 131 C ALA A 10 0.579 -3.514 2.872 1.00 0.00 C ATOM 132 O ALA A 10 1.215 -2.550 2.489 1.00 0.00 O ATOM 133 CB ALA A 10 1.309 -4.709 4.917 1.00 0.00 C ATOM 0 H ALA A 10 3.139 -3.956 2.744 1.00 0.00 H new ATOM 0 HA ALA A 10 0.724 -5.654 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.292 -4.651 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.794 -5.605 5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.868 -3.828 5.232 1.00 0.00 H new ATOM 139 N CYS A 11 -0.723 -3.512 2.868 1.00 0.00 N ATOM 140 CA CYS A 11 -1.464 -2.317 2.388 1.00 0.00 C ATOM 141 C CYS A 11 -2.788 -2.200 3.141 1.00 0.00 C ATOM 142 O CYS A 11 -3.595 -3.110 3.147 1.00 0.00 O ATOM 143 CB CYS A 11 -1.738 -2.456 0.890 1.00 0.00 C ATOM 144 SG CYS A 11 -0.551 -1.450 -0.032 1.00 0.00 S ATOM 0 H CYS A 11 -1.307 -4.289 3.177 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.866 -1.423 2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.657 -3.501 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.755 -2.137 0.664 1.00 0.00 H new ATOM 0 HG CYS A 11 0.594 -1.455 0.584 1.00 0.00 H new ATOM 150 N GLY A 12 -3.019 -1.084 3.772 1.00 0.00 N ATOM 151 CA GLY A 12 -4.295 -0.893 4.522 1.00 0.00 C ATOM 152 C GLY A 12 -4.964 0.390 4.035 1.00 0.00 C ATOM 153 O GLY A 12 -4.416 1.110 3.224 1.00 0.00 O ATOM 0 H GLY A 12 -2.378 -0.291 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.956 -1.746 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.098 -0.833 5.592 1.00 0.00 H new ATOM 157 N LEU A 13 -6.148 0.686 4.504 1.00 0.00 N ATOM 158 CA LEU A 13 -6.828 1.926 4.032 1.00 0.00 C ATOM 159 C LEU A 13 -7.165 2.846 5.202 1.00 0.00 C ATOM 160 O LEU A 13 -7.967 2.516 6.052 1.00 0.00 O ATOM 161 CB LEU A 13 -8.141 1.556 3.325 1.00 0.00 C ATOM 162 CG LEU A 13 -8.062 1.905 1.838 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.438 1.747 1.191 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.597 3.350 1.665 1.00 0.00 C ATOM 0 H LEU A 13 -6.667 0.131 5.184 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.150 2.440 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.339 0.491 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.973 2.088 3.786 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.351 1.231 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.373 1.997 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.775 0.716 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.148 2.415 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.543 3.590 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.304 4.021 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.611 3.471 2.115 1.00 0.00 H new ATOM 176 N ILE A 14 -6.613 4.029 5.217 1.00 0.00 N ATOM 177 CA ILE A 14 -6.972 4.985 6.295 1.00 0.00 C ATOM 178 C ILE A 14 -8.222 5.712 5.817 1.00 0.00 C ATOM 179 O ILE A 14 -8.170 6.621 5.013 1.00 0.00 O ATOM 180 CB ILE A 14 -5.829 5.969 6.548 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.684 5.224 7.238 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.311 7.102 7.455 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.466 6.138 7.362 1.00 0.00 C ATOM 0 H ILE A 14 -5.936 4.370 4.535 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.154 4.470 7.239 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.490 6.389 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.000 4.889 8.226 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.423 4.332 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.493 7.800 7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.137 7.626 6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.647 6.689 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.656 5.600 7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.143 6.451 6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.729 7.016 7.951 1.00 0.00 H new ATOM 195 N ILE A 15 -9.348 5.271 6.281 1.00 0.00 N ATOM 196 CA ILE A 15 -10.639 5.858 5.844 1.00 0.00 C ATOM 197 C ILE A 15 -11.006 7.049 6.717 1.00 0.00 C ATOM 198 O ILE A 15 -10.832 7.028 7.918 1.00 0.00 O ATOM 199 CB ILE A 15 -11.688 4.760 5.974 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.323 3.621 5.023 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.081 5.288 5.639 1.00 0.00 C ATOM 202 CD1 ILE A 15 -12.072 2.352 5.424 1.00 0.00 C ATOM 0 H ILE A 15 -9.432 4.513 6.959 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.575 6.217 4.817 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.704 4.404 7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.576 3.895 3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.248 3.443 5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.809 4.483 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.337 6.097 6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.092 5.661 4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.808 1.543 4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.797 2.074 6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.146 2.532 5.374 1.00 0.00 H new ATOM 214 N PHE A 16 -11.520 8.086 6.117 1.00 0.00 N ATOM 215 CA PHE A 16 -11.908 9.282 6.904 1.00 0.00 C ATOM 216 C PHE A 16 -13.284 9.776 6.460 1.00 0.00 C ATOM 217 O PHE A 16 -13.496 10.110 5.312 1.00 0.00 O ATOM 218 CB PHE A 16 -10.878 10.390 6.690 1.00 0.00 C ATOM 219 CG PHE A 16 -10.900 10.834 5.246 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.096 10.187 4.299 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.726 11.895 4.856 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.119 10.604 2.961 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.748 12.311 3.521 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.945 11.665 2.572 1.00 0.00 C ATOM 0 H PHE A 16 -11.687 8.154 5.113 1.00 0.00 H new ATOM 0 HA PHE A 16 -11.947 9.016 7.960 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.097 11.234 7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.883 10.031 6.955 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.459 9.368 4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.347 12.393 5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.499 10.106 2.230 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.384 13.131 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.963 11.985 1.541 1.00 0.00 H new ATOM 234 N ARG A 17 -14.216 9.842 7.369 1.00 0.00 N ATOM 235 CA ARG A 17 -15.575 10.332 7.013 1.00 0.00 C ATOM 236 C ARG A 17 -15.558 11.861 7.000 1.00 0.00 C ATOM 237 O ARG A 17 -15.341 12.497 8.012 1.00 0.00 O ATOM 238 CB ARG A 17 -16.579 9.843 8.060 1.00 0.00 C ATOM 239 CG ARG A 17 -17.980 10.353 7.715 1.00 0.00 C ATOM 240 CD ARG A 17 -18.935 10.015 8.860 1.00 0.00 C ATOM 241 NE ARG A 17 -20.309 10.489 8.521 1.00 0.00 N ATOM 242 CZ ARG A 17 -21.076 10.995 9.451 1.00 0.00 C ATOM 243 NH1 ARG A 17 -20.650 11.073 10.683 1.00 0.00 N ATOM 244 NH2 ARG A 17 -22.273 11.420 9.149 1.00 0.00 N ATOM 0 H ARG A 17 -14.094 9.577 8.346 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.863 9.955 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.578 8.754 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.287 10.196 9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.957 11.430 7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.328 9.896 6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.943 8.939 9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.594 10.485 9.782 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.650 10.418 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.716 10.739 10.922 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -21.251 11.468 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.609 11.357 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.872 11.815 9.874 1.00 0.00 H new ATOM 258 N ARG A 18 -15.781 12.458 5.863 1.00 0.00 N ATOM 259 CA ARG A 18 -15.772 13.947 5.794 1.00 0.00 C ATOM 260 C ARG A 18 -17.193 14.480 5.985 1.00 0.00 C ATOM 261 O ARG A 18 -18.135 13.990 5.394 1.00 0.00 O ATOM 262 CB ARG A 18 -15.237 14.391 4.432 1.00 0.00 C ATOM 263 CG ARG A 18 -15.108 15.915 4.403 1.00 0.00 C ATOM 264 CD ARG A 18 -14.509 16.350 3.067 1.00 0.00 C ATOM 265 NE ARG A 18 -15.447 15.992 1.963 1.00 0.00 N ATOM 266 CZ ARG A 18 -15.796 16.881 1.071 1.00 0.00 C ATOM 267 NH1 ARG A 18 -15.323 18.097 1.130 1.00 0.00 N ATOM 268 NH2 ARG A 18 -16.620 16.553 0.114 1.00 0.00 N ATOM 0 H ARG A 18 -15.969 11.982 4.981 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.131 14.342 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.267 13.930 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.908 14.058 3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.086 16.376 4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.476 16.253 5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.327 17.425 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.546 15.864 2.912 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.819 15.044 1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.677 18.357 1.875 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.599 18.786 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.991 15.604 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.894 17.246 -0.583 1.00 0.00 H new ATOM 434 N ILE A 29 -13.674 15.583 11.031 1.00 0.00 N ATOM 435 CA ILE A 29 -13.389 14.342 10.262 1.00 0.00 C ATOM 436 C ILE A 29 -13.181 13.165 11.207 1.00 0.00 C ATOM 437 O ILE A 29 -12.531 13.274 12.229 1.00 0.00 O ATOM 438 CB ILE A 29 -12.131 14.551 9.418 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.464 15.493 8.263 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.647 13.210 8.868 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.186 16.145 7.734 1.00 0.00 C ATOM 0 HA ILE A 29 -14.238 14.122 9.615 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.342 14.984 10.033 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.958 14.941 7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.162 16.260 8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.751 13.365 8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.418 12.539 9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.427 12.768 8.248 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.433 16.815 6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.709 16.713 8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.503 15.373 7.381 1.00 0.00 H new ATOM 453 N GLU A 30 -13.725 12.035 10.859 1.00 0.00 N ATOM 454 CA GLU A 30 -13.565 10.827 11.714 1.00 0.00 C ATOM 455 C GLU A 30 -12.949 9.713 10.873 1.00 0.00 C ATOM 456 O GLU A 30 -13.067 9.706 9.665 1.00 0.00 O ATOM 457 CB GLU A 30 -14.930 10.380 12.243 1.00 0.00 C ATOM 458 CG GLU A 30 -15.557 11.512 13.057 1.00 0.00 C ATOM 459 CD GLU A 30 -16.300 12.468 12.119 1.00 0.00 C ATOM 460 OE1 GLU A 30 -16.308 12.210 10.928 1.00 0.00 O ATOM 461 OE2 GLU A 30 -16.845 13.442 12.611 1.00 0.00 O ATOM 0 H GLU A 30 -14.278 11.895 10.013 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.918 11.056 12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.583 10.110 11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.818 9.491 12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.246 11.104 13.797 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.784 12.051 13.605 1.00 0.00 H new ATOM 469 N PHE A 31 -12.287 8.775 11.492 1.00 0.00 N ATOM 470 CA PHE A 31 -11.656 7.673 10.707 1.00 0.00 C ATOM 471 C PHE A 31 -12.289 6.332 11.080 1.00 0.00 C ATOM 472 O PHE A 31 -12.761 6.141 12.183 1.00 0.00 O ATOM 473 CB PHE A 31 -10.156 7.622 11.015 1.00 0.00 C ATOM 474 CG PHE A 31 -9.510 8.941 10.652 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.051 9.163 9.347 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.369 9.938 11.623 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.450 10.386 9.017 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.768 11.159 11.291 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.310 11.381 9.989 1.00 0.00 C ATOM 0 H PHE A 31 -12.155 8.722 12.502 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.812 7.861 9.645 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.000 7.410 12.073 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.688 6.812 10.455 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.160 8.394 8.597 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.723 9.766 12.629 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.095 10.559 8.012 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.659 11.929 12.041 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.847 12.323 9.734 1.00 0.00 H new ATOM 489 N LEU A 32 -12.288 5.396 10.167 1.00 0.00 N ATOM 490 CA LEU A 32 -12.874 4.061 10.474 1.00 0.00 C ATOM 491 C LEU A 32 -11.832 3.234 11.220 1.00 0.00 C ATOM 492 O LEU A 32 -10.712 3.075 10.776 1.00 0.00 O ATOM 493 CB LEU A 32 -13.261 3.346 9.171 1.00 0.00 C ATOM 494 CG LEU A 32 -13.697 1.912 9.480 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.890 1.930 10.433 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.103 1.214 8.181 1.00 0.00 C ATOM 0 H LEU A 32 -11.908 5.499 9.226 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.767 4.182 11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.070 3.884 8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.415 3.339 8.483 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.869 1.377 9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.197 0.907 10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.608 2.429 11.360 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.718 2.467 9.970 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.414 0.192 8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.930 1.755 7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.255 1.197 7.497 1.00 0.00 H new ATOM 508 N LEU A 33 -12.191 2.707 12.356 1.00 0.00 N ATOM 509 CA LEU A 33 -11.223 1.894 13.140 1.00 0.00 C ATOM 510 C LEU A 33 -11.838 0.535 13.466 1.00 0.00 C ATOM 511 O LEU A 33 -12.950 0.441 13.943 1.00 0.00 O ATOM 512 CB LEU A 33 -10.872 2.630 14.435 1.00 0.00 C ATOM 513 CG LEU A 33 -9.741 3.625 14.164 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.667 4.644 15.302 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.412 2.870 14.076 1.00 0.00 C ATOM 0 H LEU A 33 -13.115 2.805 12.776 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.316 1.743 12.554 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.748 3.154 14.817 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.568 1.916 15.201 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.934 4.144 13.225 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.861 5.351 15.106 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.612 5.182 15.371 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.475 4.126 16.242 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.604 3.576 13.883 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.224 2.353 15.017 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.460 2.143 13.265 1.00 0.00 H new ATOM 527 N LEU A 34 -11.113 -0.519 13.216 1.00 0.00 N ATOM 528 CA LEU A 34 -11.640 -1.877 13.511 1.00 0.00 C ATOM 529 C LEU A 34 -10.963 -2.406 14.775 1.00 0.00 C ATOM 530 O LEU A 34 -9.781 -2.221 14.980 1.00 0.00 O ATOM 531 CB LEU A 34 -11.340 -2.803 12.331 1.00 0.00 C ATOM 532 CG LEU A 34 -11.888 -2.181 11.045 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.662 -3.136 9.875 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.385 -1.922 11.201 1.00 0.00 C ATOM 0 H LEU A 34 -10.174 -0.497 12.818 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.718 -1.836 13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.265 -2.961 12.242 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.793 -3.780 12.497 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.371 -1.241 10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.053 -2.690 8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.594 -3.323 9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.177 -4.077 10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.775 -1.479 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.899 -2.863 11.396 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.551 -1.239 12.034 1.00 0.00 H new ATOM 546 N GLN A 35 -11.700 -3.059 15.629 1.00 0.00 N ATOM 547 CA GLN A 35 -11.091 -3.588 16.881 1.00 0.00 C ATOM 548 C GLN A 35 -10.290 -4.850 16.558 1.00 0.00 C ATOM 549 O GLN A 35 -10.648 -5.615 15.686 1.00 0.00 O ATOM 550 CB GLN A 35 -12.195 -3.925 17.887 1.00 0.00 C ATOM 551 CG GLN A 35 -11.572 -4.189 19.259 1.00 0.00 C ATOM 552 CD GLN A 35 -12.669 -4.575 20.254 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.166 -5.682 20.230 1.00 0.00 O ATOM 554 NE2 GLN A 35 -13.074 -3.697 21.132 1.00 0.00 N ATOM 0 H GLN A 35 -12.696 -3.249 15.515 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.430 -2.836 17.311 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.907 -3.102 17.951 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.751 -4.801 17.553 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.834 -4.988 19.187 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.046 -3.300 19.608 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.657 -2.767 21.153 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.808 -3.942 21.797 1.00 0.00 H new ATOM 641 N HIS A 42 -5.826 -3.774 20.809 1.00 0.00 N ATOM 642 CA HIS A 42 -5.388 -2.505 20.164 1.00 0.00 C ATOM 643 C HIS A 42 -6.297 -2.205 18.973 1.00 0.00 C ATOM 644 O HIS A 42 -6.960 -3.078 18.450 1.00 0.00 O ATOM 645 CB HIS A 42 -3.946 -2.652 19.677 1.00 0.00 C ATOM 646 CG HIS A 42 -3.879 -3.733 18.633 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.158 -3.729 17.287 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -3.487 -5.029 18.935 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -3.942 -5.001 16.766 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -3.540 -5.746 17.796 1.00 0.00 N flip ATOM 0 HA HIS A 42 -5.447 -1.690 20.885 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.593 -1.708 19.262 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.291 -2.898 20.513 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.193 -5.396 19.907 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.073 -5.318 15.742 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.302 -6.736 17.730 1.00 0.00 H new ATOM 659 N TRP A 43 -6.336 -0.975 18.539 1.00 0.00 N ATOM 660 CA TRP A 43 -7.205 -0.623 17.381 1.00 0.00 C ATOM 661 C TRP A 43 -6.339 -0.401 16.140 1.00 0.00 C ATOM 662 O TRP A 43 -5.313 0.247 16.195 1.00 0.00 O ATOM 663 CB TRP A 43 -7.973 0.660 17.701 1.00 0.00 C ATOM 664 CG TRP A 43 -8.927 0.404 18.822 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.621 0.500 20.137 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.329 0.019 18.755 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.747 0.192 20.880 1.00 0.00 N ATOM 668 CE2 TRP A 43 -10.825 -0.110 20.073 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.211 -0.231 17.689 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.149 -0.471 20.326 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.544 -0.595 17.939 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.011 -0.715 19.255 1.00 0.00 C ATOM 0 H TRP A 43 -5.805 -0.200 18.936 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.907 -1.435 17.191 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.278 1.454 17.975 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.515 1.001 16.819 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.657 0.772 20.540 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.777 0.189 21.900 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.861 -0.142 16.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.504 -0.561 21.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.213 -0.784 17.113 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.037 -0.996 19.441 1.00 0.00 H new ATOM 683 N THR A 44 -6.747 -0.928 15.019 1.00 0.00 N ATOM 684 CA THR A 44 -5.949 -0.742 13.776 1.00 0.00 C ATOM 685 C THR A 44 -6.893 -0.709 12.570 1.00 0.00 C ATOM 686 O THR A 44 -7.961 -1.290 12.596 1.00 0.00 O ATOM 687 CB THR A 44 -4.964 -1.904 13.621 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.412 -3.010 14.394 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.580 -1.469 14.105 1.00 0.00 C ATOM 0 H THR A 44 -7.598 -1.479 14.910 1.00 0.00 H new ATOM 0 HA THR A 44 -5.396 0.195 13.834 1.00 0.00 H new ATOM 0 HB THR A 44 -4.906 -2.194 12.572 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.938 -3.023 15.252 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.879 -2.297 13.994 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.237 -0.621 13.512 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.636 -1.179 15.154 1.00 0.00 H new ATOM 697 N PRO A 45 -6.503 -0.034 11.524 1.00 0.00 N ATOM 698 CA PRO A 45 -7.326 0.076 10.286 1.00 0.00 C ATOM 699 C PRO A 45 -7.362 -1.238 9.499 1.00 0.00 C ATOM 700 O PRO A 45 -6.564 -2.124 9.729 1.00 0.00 O ATOM 701 CB PRO A 45 -6.624 1.164 9.471 1.00 0.00 C ATOM 702 CG PRO A 45 -5.209 1.167 9.948 1.00 0.00 C ATOM 703 CD PRO A 45 -5.233 0.700 11.405 1.00 0.00 C ATOM 0 HA PRO A 45 -8.366 0.308 10.513 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.678 0.951 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.093 2.136 9.627 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.594 0.504 9.339 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.776 2.164 9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.380 0.061 11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.193 1.543 12.095 1.00 0.00 H new ATOM 711 N PRO A 46 -8.282 -1.358 8.576 1.00 0.00 N ATOM 712 CA PRO A 46 -8.423 -2.583 7.731 1.00 0.00 C ATOM 713 C PRO A 46 -7.111 -2.965 7.038 1.00 0.00 C ATOM 714 O PRO A 46 -7.057 -3.128 5.835 1.00 0.00 O ATOM 715 CB PRO A 46 -9.469 -2.196 6.685 1.00 0.00 C ATOM 716 CG PRO A 46 -10.232 -1.056 7.273 1.00 0.00 C ATOM 717 CD PRO A 46 -9.288 -0.341 8.238 1.00 0.00 C ATOM 0 HA PRO A 46 -8.703 -3.448 8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.995 -1.907 5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.129 -3.035 6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.574 -0.376 6.492 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.120 -1.414 7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.831 0.533 7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.815 0.008 9.126 1.00 0.00 H new ATOM 725 N LYS A 47 -6.055 -3.102 7.787 1.00 0.00 N ATOM 726 CA LYS A 47 -4.748 -3.466 7.172 1.00 0.00 C ATOM 727 C LYS A 47 -4.724 -4.960 6.849 1.00 0.00 C ATOM 728 O LYS A 47 -5.213 -5.779 7.603 1.00 0.00 O ATOM 729 CB LYS A 47 -3.613 -3.150 8.143 1.00 0.00 C ATOM 730 CG LYS A 47 -2.272 -3.344 7.438 1.00 0.00 C ATOM 731 CD LYS A 47 -1.136 -3.126 8.439 1.00 0.00 C ATOM 732 CE LYS A 47 -1.124 -4.268 9.458 1.00 0.00 C ATOM 733 NZ LYS A 47 0.275 -4.530 9.897 1.00 0.00 N ATOM 0 H LYS A 47 -6.039 -2.978 8.799 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.619 -2.890 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.702 -2.125 8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.675 -3.800 9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.212 -4.347 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.180 -2.643 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.181 -3.081 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.265 -2.171 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.743 -4.009 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.552 -5.168 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.651 -5.354 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.864 -3.697 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.288 -4.722 10.919 1.00 0.00 H new ATOM 747 N GLY A 48 -4.147 -5.316 5.739 1.00 0.00 N ATOM 748 CA GLY A 48 -4.071 -6.753 5.357 1.00 0.00 C ATOM 749 C GLY A 48 -2.746 -7.005 4.636 1.00 0.00 C ATOM 750 O GLY A 48 -1.935 -6.112 4.484 1.00 0.00 O ATOM 0 H GLY A 48 -3.721 -4.670 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.143 -7.383 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.908 -7.016 4.710 1.00 0.00 H new ATOM 754 N HIS A 49 -2.519 -8.206 4.187 1.00 0.00 N ATOM 755 CA HIS A 49 -1.244 -8.500 3.474 1.00 0.00 C ATOM 756 C HIS A 49 -1.509 -8.513 1.969 1.00 0.00 C ATOM 757 O HIS A 49 -2.482 -9.072 1.505 1.00 0.00 O ATOM 758 CB HIS A 49 -0.709 -9.862 3.918 1.00 0.00 C ATOM 759 CG HIS A 49 -0.376 -9.816 5.386 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.248 -10.284 6.359 1.00 0.00 N ATOM 761 CD2 HIS A 49 0.728 -9.356 6.061 1.00 0.00 C ATOM 762 CE1 HIS A 49 -0.660 -10.096 7.555 1.00 0.00 C ATOM 763 NE2 HIS A 49 0.543 -9.536 7.427 1.00 0.00 N ATOM 0 H HIS A 49 -3.158 -8.995 4.282 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.504 -7.735 3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.452 -10.636 3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.178 -10.122 3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.604 -8.922 5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.107 -10.365 8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.192 -9.291 8.175 1.00 0.00 H new ATOM 772 N VAL A 50 -0.658 -7.890 1.201 1.00 0.00 N ATOM 773 CA VAL A 50 -0.875 -7.861 -0.272 1.00 0.00 C ATOM 774 C VAL A 50 -0.170 -9.048 -0.927 1.00 0.00 C ATOM 775 O VAL A 50 0.963 -9.366 -0.620 1.00 0.00 O ATOM 776 CB VAL A 50 -0.330 -6.545 -0.842 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.501 -5.827 0.218 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.536 -6.831 -2.074 1.00 0.00 C ATOM 0 H VAL A 50 0.175 -7.402 1.529 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.942 -7.929 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.166 -5.909 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.886 -4.893 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.123 -5.613 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.335 -6.462 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.920 -5.893 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.370 -7.473 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.065 -7.330 -2.834 1.00 0.00 H new ATOM 788 N GLU A 51 -0.838 -9.696 -1.840 1.00 0.00 N ATOM 789 CA GLU A 51 -0.230 -10.861 -2.541 1.00 0.00 C ATOM 790 C GLU A 51 0.885 -10.352 -3.466 1.00 0.00 C ATOM 791 O GLU A 51 1.183 -9.175 -3.485 1.00 0.00 O ATOM 792 CB GLU A 51 -1.326 -11.556 -3.357 1.00 0.00 C ATOM 793 CG GLU A 51 -1.489 -13.016 -2.916 1.00 0.00 C ATOM 794 CD GLU A 51 -2.594 -13.105 -1.860 1.00 0.00 C ATOM 795 OE1 GLU A 51 -2.267 -13.322 -0.704 1.00 0.00 O ATOM 796 OE2 GLU A 51 -3.749 -12.956 -2.226 1.00 0.00 O ATOM 0 H GLU A 51 -1.788 -9.466 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 51 0.195 -11.569 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.270 -11.026 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.076 -11.517 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.738 -13.641 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.550 -13.392 -2.509 1.00 0.00 H new ATOM 804 N PRO A 52 1.509 -11.223 -4.216 1.00 0.00 N ATOM 805 CA PRO A 52 2.613 -10.829 -5.138 1.00 0.00 C ATOM 806 C PRO A 52 2.099 -10.090 -6.375 1.00 0.00 C ATOM 807 O PRO A 52 2.309 -8.904 -6.531 1.00 0.00 O ATOM 808 CB PRO A 52 3.256 -12.159 -5.531 1.00 0.00 C ATOM 809 CG PRO A 52 2.195 -13.194 -5.342 1.00 0.00 C ATOM 810 CD PRO A 52 1.231 -12.667 -4.277 1.00 0.00 C ATOM 0 HA PRO A 52 3.309 -10.138 -4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.601 -12.136 -6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.126 -12.372 -4.909 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.669 -13.381 -6.278 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.634 -14.141 -5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.193 -12.861 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.403 -13.146 -3.313 1.00 0.00 H new ATOM 818 N GLY A 53 1.419 -10.776 -7.251 1.00 0.00 N ATOM 819 CA GLY A 53 0.886 -10.103 -8.468 1.00 0.00 C ATOM 820 C GLY A 53 -0.332 -9.263 -8.082 1.00 0.00 C ATOM 821 O GLY A 53 -1.099 -8.837 -8.921 1.00 0.00 O ATOM 0 H GLY A 53 1.210 -11.772 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.653 -9.470 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.609 -10.845 -9.217 1.00 0.00 H new ATOM 825 N GLU A 54 -0.514 -9.031 -6.809 1.00 0.00 N ATOM 826 CA GLU A 54 -1.685 -8.230 -6.355 1.00 0.00 C ATOM 827 C GLU A 54 -1.305 -6.750 -6.290 1.00 0.00 C ATOM 828 O GLU A 54 -0.165 -6.400 -6.054 1.00 0.00 O ATOM 829 CB GLU A 54 -2.115 -8.702 -4.967 1.00 0.00 C ATOM 830 CG GLU A 54 -3.417 -8.009 -4.574 1.00 0.00 C ATOM 831 CD GLU A 54 -3.791 -8.387 -3.140 1.00 0.00 C ATOM 832 OE1 GLU A 54 -2.993 -9.047 -2.497 1.00 0.00 O ATOM 833 OE2 GLU A 54 -4.870 -8.012 -2.710 1.00 0.00 O ATOM 0 H GLU A 54 0.099 -9.363 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.506 -8.362 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.251 -9.783 -4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.337 -8.478 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.304 -6.928 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.215 -8.300 -5.257 1.00 0.00 H new ATOM 841 N ASP A 55 -2.253 -5.879 -6.504 1.00 0.00 N ATOM 842 CA ASP A 55 -1.952 -4.420 -6.462 1.00 0.00 C ATOM 843 C ASP A 55 -1.714 -3.973 -5.026 1.00 0.00 C ATOM 844 O ASP A 55 -2.094 -4.633 -4.079 1.00 0.00 O ATOM 845 CB ASP A 55 -3.135 -3.632 -7.002 1.00 0.00 C ATOM 846 CG ASP A 55 -2.686 -2.215 -7.371 1.00 0.00 C ATOM 847 OD1 ASP A 55 -3.542 -1.414 -7.704 1.00 0.00 O ATOM 848 OD2 ASP A 55 -1.496 -1.958 -7.310 1.00 0.00 O ATOM 0 H ASP A 55 -3.224 -6.115 -6.706 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.063 -4.240 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.548 -4.132 -7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.928 -3.590 -6.255 1.00 0.00 H new ATOM 854 N ASP A 56 -1.105 -2.839 -4.867 1.00 0.00 N ATOM 855 CA ASP A 56 -0.856 -2.310 -3.499 1.00 0.00 C ATOM 856 C ASP A 56 -2.162 -1.737 -2.939 1.00 0.00 C ATOM 857 O ASP A 56 -2.692 -2.210 -1.954 1.00 0.00 O ATOM 858 CB ASP A 56 0.200 -1.205 -3.564 1.00 0.00 C ATOM 859 CG ASP A 56 1.521 -1.786 -4.075 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.662 -2.998 -4.047 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.368 -1.010 -4.484 1.00 0.00 O ATOM 0 H ASP A 56 -0.766 -2.250 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.499 -3.112 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.136 -0.405 -4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.342 -0.765 -2.577 1.00 0.00 H new ATOM 867 N LEU A 57 -2.687 -0.720 -3.572 1.00 0.00 N ATOM 868 CA LEU A 57 -3.959 -0.106 -3.096 1.00 0.00 C ATOM 869 C LEU A 57 -5.096 -1.126 -3.189 1.00 0.00 C ATOM 870 O LEU A 57 -5.917 -1.236 -2.302 1.00 0.00 O ATOM 871 CB LEU A 57 -4.280 1.115 -3.967 1.00 0.00 C ATOM 872 CG LEU A 57 -5.643 1.702 -3.583 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.612 2.196 -2.137 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.967 2.877 -4.508 1.00 0.00 C ATOM 0 H LEU A 57 -2.285 -0.287 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.851 0.204 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.504 1.871 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.284 0.829 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.405 0.929 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.585 2.611 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.381 1.363 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.848 2.966 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.936 3.297 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.198 3.643 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.998 2.529 -5.541 1.00 0.00 H new ATOM 886 N GLU A 58 -5.146 -1.876 -4.256 1.00 0.00 N ATOM 887 CA GLU A 58 -6.230 -2.891 -4.410 1.00 0.00 C ATOM 888 C GLU A 58 -6.269 -3.768 -3.160 1.00 0.00 C ATOM 889 O GLU A 58 -7.322 -4.071 -2.637 1.00 0.00 O ATOM 890 CB GLU A 58 -5.921 -3.757 -5.633 1.00 0.00 C ATOM 891 CG GLU A 58 -7.093 -4.667 -5.947 1.00 0.00 C ATOM 892 CD GLU A 58 -6.722 -5.605 -7.098 1.00 0.00 C ATOM 893 OE1 GLU A 58 -5.599 -5.519 -7.568 1.00 0.00 O ATOM 894 OE2 GLU A 58 -7.568 -6.392 -7.491 1.00 0.00 O ATOM 0 H GLU A 58 -4.483 -1.830 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.194 -2.399 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.706 -3.121 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.028 -4.354 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.362 -5.247 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.966 -4.072 -6.216 1.00 0.00 H new ATOM 902 N THR A 59 -5.128 -4.157 -2.658 1.00 0.00 N ATOM 903 CA THR A 59 -5.122 -4.987 -1.425 1.00 0.00 C ATOM 904 C THR A 59 -5.834 -4.205 -0.331 1.00 0.00 C ATOM 905 O THR A 59 -6.633 -4.740 0.413 1.00 0.00 O ATOM 906 CB THR A 59 -3.678 -5.284 -1.011 1.00 0.00 C ATOM 907 OG1 THR A 59 -3.039 -6.006 -2.053 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.670 -6.112 0.276 1.00 0.00 C ATOM 0 H THR A 59 -4.210 -3.938 -3.045 1.00 0.00 H new ATOM 0 HA THR A 59 -5.631 -5.935 -1.598 1.00 0.00 H new ATOM 0 HB THR A 59 -3.146 -4.350 -0.833 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.749 -5.383 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.641 -6.321 0.568 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.166 -5.554 1.070 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.198 -7.051 0.108 1.00 0.00 H new ATOM 916 N ALA A 60 -5.575 -2.930 -0.248 1.00 0.00 N ATOM 917 CA ALA A 60 -6.265 -2.104 0.776 1.00 0.00 C ATOM 918 C ALA A 60 -7.752 -2.061 0.424 1.00 0.00 C ATOM 919 O ALA A 60 -8.607 -2.263 1.262 1.00 0.00 O ATOM 920 CB ALA A 60 -5.688 -0.689 0.761 1.00 0.00 C ATOM 0 H ALA A 60 -4.917 -2.427 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.125 -2.530 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.194 -0.082 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.622 -0.728 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.837 -0.246 -0.224 1.00 0.00 H new ATOM 926 N LEU A 61 -8.060 -1.820 -0.822 1.00 0.00 N ATOM 927 CA LEU A 61 -9.488 -1.780 -1.253 1.00 0.00 C ATOM 928 C LEU A 61 -10.166 -3.086 -0.864 1.00 0.00 C ATOM 929 O LEU A 61 -11.198 -3.106 -0.222 1.00 0.00 O ATOM 930 CB LEU A 61 -9.529 -1.665 -2.771 1.00 0.00 C ATOM 931 CG LEU A 61 -8.838 -0.385 -3.208 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.759 -0.375 -4.733 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.638 0.826 -2.717 1.00 0.00 C ATOM 0 H LEU A 61 -7.381 -1.648 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.993 -0.937 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.039 -2.527 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.562 -1.668 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.835 -0.335 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.265 0.538 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.190 -1.240 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.765 -0.416 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.140 1.743 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.642 0.795 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.702 0.803 -1.629 1.00 0.00 H new ATOM 945 N ARG A 62 -9.577 -4.180 -1.248 1.00 0.00 N ATOM 946 CA ARG A 62 -10.155 -5.502 -0.911 1.00 0.00 C ATOM 947 C ARG A 62 -10.077 -5.722 0.601 1.00 0.00 C ATOM 948 O ARG A 62 -11.018 -6.174 1.218 1.00 0.00 O ATOM 949 CB ARG A 62 -9.371 -6.580 -1.653 1.00 0.00 C ATOM 950 CG ARG A 62 -9.775 -6.574 -3.129 1.00 0.00 C ATOM 951 CD ARG A 62 -9.028 -7.686 -3.869 1.00 0.00 C ATOM 952 NE ARG A 62 -9.533 -9.011 -3.414 1.00 0.00 N ATOM 953 CZ ARG A 62 -8.992 -10.107 -3.872 1.00 0.00 C ATOM 954 NH1 ARG A 62 -8.009 -10.040 -4.728 1.00 0.00 N ATOM 955 NH2 ARG A 62 -9.432 -11.270 -3.473 1.00 0.00 N ATOM 0 H ARG A 62 -8.711 -4.213 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.202 -5.548 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.301 -6.399 -1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.570 -7.558 -1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.851 -6.720 -3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.544 -5.607 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.170 -7.581 -4.945 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.957 -7.608 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.301 -9.062 -2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.664 -9.132 -5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.586 -10.896 -5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.199 -11.322 -2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.009 -12.126 -3.832 1.00 0.00 H new ATOM 969 N ALA A 63 -8.974 -5.379 1.209 1.00 0.00 N ATOM 970 CA ALA A 63 -8.866 -5.555 2.683 1.00 0.00 C ATOM 971 C ALA A 63 -9.860 -4.608 3.355 1.00 0.00 C ATOM 972 O ALA A 63 -10.433 -4.911 4.384 1.00 0.00 O ATOM 973 CB ALA A 63 -7.444 -5.223 3.142 1.00 0.00 C ATOM 0 H ALA A 63 -8.150 -4.988 0.752 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.089 -6.587 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.370 -5.353 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.737 -5.889 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.210 -4.190 2.885 1.00 0.00 H new ATOM 979 N THR A 64 -10.072 -3.462 2.768 1.00 0.00 N ATOM 980 CA THR A 64 -11.032 -2.484 3.351 1.00 0.00 C ATOM 981 C THR A 64 -12.426 -3.110 3.413 1.00 0.00 C ATOM 982 O THR A 64 -13.118 -3.013 4.408 1.00 0.00 O ATOM 983 CB THR A 64 -11.073 -1.243 2.456 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.758 -0.738 2.288 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.946 -0.166 3.093 1.00 0.00 C ATOM 0 H THR A 64 -9.619 -3.160 1.905 1.00 0.00 H new ATOM 0 HA THR A 64 -10.716 -2.209 4.357 1.00 0.00 H new ATOM 0 HB THR A 64 -11.491 -1.518 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.187 -1.434 1.900 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.968 0.713 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.959 -0.548 3.222 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.535 0.108 4.065 1.00 0.00 H new ATOM 993 N GLN A 65 -12.844 -3.744 2.353 1.00 0.00 N ATOM 994 CA GLN A 65 -14.197 -4.372 2.338 1.00 0.00 C ATOM 995 C GLN A 65 -14.172 -5.717 3.068 1.00 0.00 C ATOM 996 O GLN A 65 -15.103 -6.065 3.769 1.00 0.00 O ATOM 997 CB GLN A 65 -14.645 -4.566 0.887 1.00 0.00 C ATOM 998 CG GLN A 65 -15.440 -5.865 0.757 1.00 0.00 C ATOM 999 CD GLN A 65 -16.143 -5.896 -0.601 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.283 -4.877 -1.247 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -16.594 -7.029 -1.060 1.00 0.00 N ATOM 0 H GLN A 65 -12.306 -3.855 1.493 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.902 -3.719 2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.257 -3.722 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.776 -4.594 0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.775 -6.723 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.173 -5.938 1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -16.475 -7.883 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.066 -7.062 -1.964 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.129 -6.482 2.910 1.00 0.00 N ATOM 1011 CA GLU A 66 -13.069 -7.805 3.594 1.00 0.00 C ATOM 1012 C GLU A 66 -13.101 -7.617 5.114 1.00 0.00 C ATOM 1013 O GLU A 66 -13.712 -8.388 5.827 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.780 -8.526 3.199 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.862 -8.967 1.735 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.580 -9.708 1.355 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -10.539 -10.261 0.267 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -9.661 -9.716 2.158 1.00 0.00 O ATOM 0 H GLU A 66 -12.317 -6.250 2.338 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.931 -8.399 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.924 -7.866 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.625 -9.393 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.727 -9.614 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.999 -8.099 1.090 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.444 -6.608 5.620 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.440 -6.393 7.097 1.00 0.00 C ATOM 1028 C GLU A 67 -13.393 -5.256 7.476 1.00 0.00 C ATOM 1029 O GLU A 67 -13.478 -4.868 8.625 1.00 0.00 O ATOM 1030 CB GLU A 67 -11.025 -6.038 7.556 1.00 0.00 C ATOM 1031 CG GLU A 67 -10.079 -7.196 7.233 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.683 -6.882 7.773 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.477 -5.759 8.207 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.846 -7.767 7.744 1.00 0.00 O ATOM 0 H GLU A 67 -11.912 -5.926 5.078 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.771 -7.310 7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.687 -5.129 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.018 -5.837 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.453 -8.119 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.036 -7.355 6.155 1.00 0.00 H new ATOM 1042 N ALA A 68 -14.112 -4.710 6.532 1.00 0.00 N ATOM 1043 CA ALA A 68 -15.047 -3.597 6.872 1.00 0.00 C ATOM 1044 C ALA A 68 -16.279 -3.655 5.973 1.00 0.00 C ATOM 1045 O ALA A 68 -17.347 -3.209 6.342 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.342 -2.257 6.668 1.00 0.00 C ATOM 0 H ALA A 68 -14.094 -4.983 5.549 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.354 -3.699 7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.025 -1.445 6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.466 -2.205 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -14.031 -2.164 5.627 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.147 -4.185 4.795 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.320 -4.253 3.881 1.00 0.00 C ATOM 1054 C GLY A 69 -17.339 -3.007 2.998 1.00 0.00 C ATOM 1055 O GLY A 69 -18.196 -2.848 2.150 1.00 0.00 O ATOM 0 H GLY A 69 -15.281 -4.574 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.264 -5.150 3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.243 -4.319 4.458 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.401 -2.120 3.189 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.370 -0.887 2.360 1.00 0.00 C ATOM 1061 C ILE A 70 -15.240 -0.996 1.332 1.00 0.00 C ATOM 1062 O ILE A 70 -14.095 -1.220 1.673 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.121 0.331 3.254 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.964 0.239 4.530 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.539 1.584 2.491 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.368 1.138 5.614 1.00 0.00 C ATOM 0 H ILE A 70 -15.657 -2.198 3.882 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.326 -0.772 1.849 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.065 0.367 3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.991 0.539 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.999 -0.793 4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.369 2.463 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.951 1.667 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.597 1.519 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.973 1.067 6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.349 0.818 5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.357 2.170 5.265 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.557 -0.834 0.078 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.512 -0.923 -0.982 1.00 0.00 C ATOM 1080 C GLU A 71 -14.433 0.396 -1.743 1.00 0.00 C ATOM 1081 O GLU A 71 -15.264 1.267 -1.589 1.00 0.00 O ATOM 1082 CB GLU A 71 -14.848 -2.072 -1.941 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.054 -1.932 -3.245 1.00 0.00 C ATOM 1084 CD GLU A 71 -14.367 -3.116 -4.159 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -15.161 -3.952 -3.761 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -13.808 -3.167 -5.241 1.00 0.00 O ATOM 0 H GLU A 71 -16.500 -0.643 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.544 -1.119 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.618 -3.027 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.916 -2.073 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.312 -0.997 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.986 -1.896 -3.031 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.437 0.544 -2.567 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.293 1.807 -3.346 1.00 0.00 C ATOM 1096 C ALA A 72 -14.653 2.204 -3.910 1.00 0.00 C ATOM 1097 O ALA A 72 -15.000 3.368 -3.966 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.303 1.591 -4.485 1.00 0.00 C ATOM 0 H ALA A 72 -12.714 -0.155 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.923 2.601 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.197 2.514 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.334 1.304 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.669 0.800 -5.140 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.437 1.245 -4.311 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.783 1.570 -4.848 1.00 0.00 C ATOM 1106 C GLY A 73 -17.604 2.244 -3.749 1.00 0.00 C ATOM 1107 O GLY A 73 -18.538 2.973 -4.013 1.00 0.00 O ATOM 0 H GLY A 73 -15.204 0.252 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.695 2.229 -5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.282 0.663 -5.189 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.266 1.992 -2.510 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.032 2.603 -1.389 1.00 0.00 C ATOM 1113 C GLN A 74 -17.264 3.780 -0.771 1.00 0.00 C ATOM 1114 O GLN A 74 -17.814 4.526 0.015 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.297 1.542 -0.320 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.207 0.453 -0.888 1.00 0.00 C ATOM 1117 CD GLN A 74 -20.657 0.939 -0.879 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -20.916 2.123 -0.973 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -21.623 0.069 -0.765 1.00 0.00 N ATOM 0 H GLN A 74 -16.492 1.389 -2.229 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.976 2.982 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.356 1.105 0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.763 2.000 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -18.903 0.205 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -19.114 -0.458 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.408 -0.925 -0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -22.593 0.383 -0.755 1.00 0.00 H new ATOM 1128 N LEU A 75 -16.014 3.980 -1.117 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.277 5.147 -0.534 1.00 0.00 C ATOM 1130 C LEU A 75 -14.559 5.912 -1.637 1.00 0.00 C ATOM 1131 O LEU A 75 -14.613 5.564 -2.801 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.230 4.736 0.524 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.999 3.225 0.544 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.735 2.905 -0.251 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.799 2.757 1.987 1.00 0.00 C ATOM 0 H LEU A 75 -15.481 3.399 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.028 5.767 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.288 5.244 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.561 5.065 1.509 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.861 2.720 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.562 1.829 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.856 3.245 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.883 3.413 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.634 1.680 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.934 3.262 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.686 2.996 2.573 1.00 0.00 H new ATOM 1147 N THR A 76 -13.883 6.961 -1.265 1.00 0.00 N ATOM 1148 CA THR A 76 -13.141 7.778 -2.258 1.00 0.00 C ATOM 1149 C THR A 76 -11.674 7.848 -1.838 1.00 0.00 C ATOM 1150 O THR A 76 -11.337 8.458 -0.844 1.00 0.00 O ATOM 1151 CB THR A 76 -13.734 9.187 -2.288 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.972 9.164 -2.988 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.767 10.144 -2.982 1.00 0.00 C ATOM 0 H THR A 76 -13.813 7.290 -0.302 1.00 0.00 H new ATOM 0 HA THR A 76 -13.219 7.331 -3.249 1.00 0.00 H new ATOM 0 HB THR A 76 -13.900 9.530 -1.267 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.354 10.066 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.196 11.146 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.822 10.164 -2.439 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.591 9.807 -4.003 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.799 7.238 -2.586 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.359 7.280 -2.218 1.00 0.00 C ATOM 1163 C ILE A 77 -8.802 8.648 -2.609 1.00 0.00 C ATOM 1164 O ILE A 77 -8.977 9.101 -3.722 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.603 6.181 -2.969 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.410 4.876 -2.937 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.240 5.951 -2.307 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.495 4.339 -1.504 1.00 0.00 C ATOM 0 H ILE A 77 -11.018 6.714 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.240 7.119 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.460 6.491 -4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.413 5.051 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.941 4.134 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.703 5.168 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.661 6.874 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.386 5.647 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.070 3.413 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.490 4.145 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.985 5.076 -0.868 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.145 9.318 -1.706 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.598 10.661 -2.036 1.00 0.00 C ATOM 1182 C ILE A 78 -6.222 10.517 -2.678 1.00 0.00 C ATOM 1183 O ILE A 78 -5.408 9.711 -2.274 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.509 11.504 -0.763 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.521 12.648 -0.853 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -6.099 12.081 -0.604 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.941 12.080 -0.921 1.00 0.00 C ATOM 0 H ILE A 78 -7.963 8.995 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.260 11.160 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.729 10.876 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.422 13.302 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.320 13.255 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.051 12.679 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.377 11.266 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.864 12.709 -1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.658 12.899 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.037 11.444 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.141 11.492 -0.025 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.971 11.295 -3.691 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.662 11.220 -4.398 1.00 0.00 C ATOM 1201 C GLU A 79 -3.746 12.351 -3.928 1.00 0.00 C ATOM 1202 O GLU A 79 -4.196 13.408 -3.531 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.897 11.341 -5.902 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.809 10.202 -6.362 1.00 0.00 C ATOM 1205 CD GLU A 79 -6.022 10.295 -7.874 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.636 11.299 -8.447 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.572 9.358 -8.431 1.00 0.00 O ATOM 0 H GLU A 79 -6.622 11.986 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.186 10.265 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.352 12.304 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.947 11.300 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.365 9.240 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.767 10.258 -5.845 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.460 12.136 -3.981 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.505 13.192 -3.547 1.00 0.00 C ATOM 1217 C GLY A 80 -0.930 12.828 -2.180 1.00 0.00 C ATOM 1218 O GLY A 80 0.133 13.280 -1.803 1.00 0.00 O ATOM 0 H GLY A 80 -2.029 11.271 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.701 13.292 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.011 14.156 -3.496 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.619 12.011 -1.434 1.00 0.00 N ATOM 1223 CA PHE A 81 -1.105 11.613 -0.097 1.00 0.00 C ATOM 1224 C PHE A 81 -0.684 10.146 -0.114 1.00 0.00 C ATOM 1225 O PHE A 81 -1.459 9.275 -0.456 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.200 11.796 0.952 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.692 11.300 2.283 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.763 9.938 2.593 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.140 12.197 3.201 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.287 9.473 3.825 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.665 11.736 4.432 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.737 10.372 4.745 1.00 0.00 C ATOM 0 H PHE A 81 -2.517 11.602 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.247 12.239 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.481 12.847 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.095 11.246 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.185 9.244 1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.080 13.248 2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.344 8.422 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.242 12.431 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.368 10.015 5.695 1.00 0.00 H new ATOM 1242 N LYS A 82 0.524 9.858 0.278 1.00 0.00 N ATOM 1243 CA LYS A 82 0.967 8.439 0.309 1.00 0.00 C ATOM 1244 C LYS A 82 2.093 8.288 1.322 1.00 0.00 C ATOM 1245 O LYS A 82 3.082 8.995 1.291 1.00 0.00 O ATOM 1246 CB LYS A 82 1.474 7.998 -1.059 1.00 0.00 C ATOM 1247 CG LYS A 82 1.292 6.485 -1.192 1.00 0.00 C ATOM 1248 CD LYS A 82 1.746 6.029 -2.579 1.00 0.00 C ATOM 1249 CE LYS A 82 3.269 5.907 -2.613 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.808 6.709 -3.748 1.00 0.00 N ATOM 0 H LYS A 82 1.221 10.540 0.577 1.00 0.00 H new ATOM 0 HA LYS A 82 0.116 7.817 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.927 8.514 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.525 8.263 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.869 5.971 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.246 6.220 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.290 5.070 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.413 6.742 -3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.693 6.258 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.558 4.862 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.844 6.626 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.412 6.355 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.544 7.707 -3.624 1.00 0.00 H new ATOM 1264 N ARG A 83 1.948 7.365 2.216 1.00 0.00 N ATOM 1265 CA ARG A 83 2.994 7.136 3.246 1.00 0.00 C ATOM 1266 C ARG A 83 2.866 5.711 3.771 1.00 0.00 C ATOM 1267 O ARG A 83 1.775 5.235 4.015 1.00 0.00 O ATOM 1268 CB ARG A 83 2.796 8.125 4.398 1.00 0.00 C ATOM 1269 CG ARG A 83 3.857 7.882 5.473 1.00 0.00 C ATOM 1270 CD ARG A 83 3.634 8.855 6.632 1.00 0.00 C ATOM 1271 NE ARG A 83 4.712 8.683 7.645 1.00 0.00 N ATOM 1272 CZ ARG A 83 5.940 9.022 7.358 1.00 0.00 C ATOM 1273 NH1 ARG A 83 6.222 9.511 6.182 1.00 0.00 N ATOM 1274 NH2 ARG A 83 6.883 8.874 8.247 1.00 0.00 N ATOM 0 H ARG A 83 1.139 6.748 2.282 1.00 0.00 H new ATOM 0 HA ARG A 83 3.983 7.281 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.866 9.148 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.799 8.008 4.824 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.800 6.854 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.854 8.020 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.629 9.881 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.661 8.675 7.088 1.00 0.00 H new ATOM 0 HE ARG A 83 4.491 8.300 8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.484 9.628 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.181 9.776 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.661 8.493 9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.842 9.139 8.022 1.00 0.00 H new ATOM 1288 N GLU A 84 3.958 5.023 3.960 1.00 0.00 N ATOM 1289 CA GLU A 84 3.854 3.635 4.482 1.00 0.00 C ATOM 1290 C GLU A 84 4.527 3.538 5.844 1.00 0.00 C ATOM 1291 O GLU A 84 5.536 4.166 6.096 1.00 0.00 O ATOM 1292 CB GLU A 84 4.515 2.640 3.529 1.00 0.00 C ATOM 1293 CG GLU A 84 5.922 3.113 3.173 1.00 0.00 C ATOM 1294 CD GLU A 84 5.838 4.356 2.286 1.00 0.00 C ATOM 1295 OE1 GLU A 84 6.851 5.016 2.128 1.00 0.00 O ATOM 1296 OE2 GLU A 84 4.761 4.626 1.782 1.00 0.00 O ATOM 0 H GLU A 84 4.904 5.357 3.778 1.00 0.00 H new ATOM 0 HA GLU A 84 2.796 3.390 4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.560 1.655 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.917 2.539 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.481 3.339 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.463 2.321 2.655 1.00 0.00 H new ATOM 1304 N LEU A 85 3.987 2.740 6.723 1.00 0.00 N ATOM 1305 CA LEU A 85 4.615 2.595 8.058 1.00 0.00 C ATOM 1306 C LEU A 85 5.533 1.372 8.018 1.00 0.00 C ATOM 1307 O LEU A 85 5.094 0.265 7.780 1.00 0.00 O ATOM 1308 CB LEU A 85 3.528 2.399 9.120 1.00 0.00 C ATOM 1309 CG LEU A 85 2.438 3.462 8.941 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.573 3.538 10.200 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.083 4.824 8.684 1.00 0.00 C ATOM 0 H LEU A 85 3.143 2.187 6.573 1.00 0.00 H new ATOM 0 HA LEU A 85 5.188 3.487 8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.096 1.402 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.962 2.473 10.117 1.00 0.00 H new ATOM 0 HG LEU A 85 1.813 3.190 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.801 4.295 10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.105 2.570 10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.196 3.803 11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.305 5.577 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.714 5.093 9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.690 4.774 7.780 1.00 0.00 H new ATOM 1323 N ASN A 86 6.807 1.565 8.227 1.00 0.00 N ATOM 1324 CA ASN A 86 7.748 0.411 8.174 1.00 0.00 C ATOM 1325 C ASN A 86 8.360 0.179 9.555 1.00 0.00 C ATOM 1326 O ASN A 86 8.965 1.059 10.134 1.00 0.00 O ATOM 1327 CB ASN A 86 8.859 0.717 7.169 1.00 0.00 C ATOM 1328 CG ASN A 86 8.232 1.021 5.808 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.034 0.929 5.648 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.997 1.383 4.811 1.00 0.00 N ATOM 0 H ASN A 86 7.235 2.468 8.431 1.00 0.00 H new ATOM 0 HA ASN A 86 7.208 -0.485 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.450 1.567 7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.538 -0.132 7.089 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.585 1.587 3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 86 10.005 1.461 4.944 1.00 0.00 H new ATOM 1337 N TYR A 87 8.214 -1.005 10.081 1.00 0.00 N ATOM 1338 CA TYR A 87 8.789 -1.300 11.416 1.00 0.00 C ATOM 1339 C TYR A 87 8.777 -2.805 11.655 1.00 0.00 C ATOM 1340 O TYR A 87 7.989 -3.529 11.078 1.00 0.00 O ATOM 1341 CB TYR A 87 7.954 -0.617 12.498 1.00 0.00 C ATOM 1342 CG TYR A 87 6.512 -1.042 12.353 1.00 0.00 C ATOM 1343 CD1 TYR A 87 6.068 -2.226 12.954 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.616 -0.256 11.615 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.734 -2.624 12.818 1.00 0.00 C ATOM 1346 CE2 TYR A 87 4.281 -0.654 11.478 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.841 -1.839 12.079 1.00 0.00 C ATOM 1348 OH TYR A 87 2.524 -2.232 11.944 1.00 0.00 O ATOM 0 H TYR A 87 7.720 -1.781 9.640 1.00 0.00 H new ATOM 0 HA TYR A 87 9.813 -0.929 11.454 1.00 0.00 H new ATOM 0 HB2 TYR A 87 8.327 -0.885 13.486 1.00 0.00 H new ATOM 0 HB3 TYR A 87 8.037 0.466 12.409 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.756 -2.833 13.523 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.956 0.658 11.151 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.393 -3.537 13.283 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.592 -0.048 10.909 1.00 0.00 H new ATOM 0 HH TYR A 87 2.040 -1.574 11.402 1.00 0.00 H new ATOM 1444 N PRO A 93 10.075 -7.033 9.688 1.00 0.00 N ATOM 1445 CA PRO A 93 9.766 -5.646 9.239 1.00 0.00 C ATOM 1446 C PRO A 93 8.579 -5.621 8.296 1.00 0.00 C ATOM 1447 O PRO A 93 8.556 -6.311 7.301 1.00 0.00 O ATOM 1448 CB PRO A 93 11.022 -5.211 8.508 1.00 0.00 C ATOM 1449 CG PRO A 93 11.628 -6.478 8.009 1.00 0.00 C ATOM 1450 CD PRO A 93 11.270 -7.560 9.020 1.00 0.00 C ATOM 0 HA PRO A 93 9.504 -4.994 10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.788 -4.534 7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.704 -4.681 9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.243 -6.729 7.021 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.709 -6.379 7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.068 -8.513 8.531 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.081 -7.731 9.728 1.00 0.00 H new ATOM 1458 N LYS A 94 7.599 -4.835 8.599 1.00 0.00 N ATOM 1459 CA LYS A 94 6.401 -4.784 7.722 1.00 0.00 C ATOM 1460 C LYS A 94 6.201 -3.382 7.157 1.00 0.00 C ATOM 1461 O LYS A 94 6.087 -2.416 7.885 1.00 0.00 O ATOM 1462 CB LYS A 94 5.167 -5.176 8.536 1.00 0.00 C ATOM 1463 CG LYS A 94 4.572 -6.466 7.974 1.00 0.00 C ATOM 1464 CD LYS A 94 3.254 -6.774 8.682 1.00 0.00 C ATOM 1465 CE LYS A 94 2.101 -6.119 7.921 1.00 0.00 C ATOM 1466 NZ LYS A 94 2.148 -4.642 8.120 1.00 0.00 N ATOM 0 H LYS A 94 7.570 -4.223 9.415 1.00 0.00 H new ATOM 0 HA LYS A 94 6.546 -5.477 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.438 -5.314 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.427 -4.377 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.405 -6.364 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.271 -7.291 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.102 -7.852 8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.284 -6.404 9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.171 -6.356 6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.148 -6.514 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.211 -4.235 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.417 -4.432 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.849 -4.227 7.473 1.00 0.00 H new ATOM 1480 N THR A 95 6.115 -3.273 5.860 1.00 0.00 N ATOM 1481 CA THR A 95 5.876 -1.943 5.243 1.00 0.00 C ATOM 1482 C THR A 95 4.382 -1.828 4.974 1.00 0.00 C ATOM 1483 O THR A 95 3.798 -2.667 4.319 1.00 0.00 O ATOM 1484 CB THR A 95 6.646 -1.823 3.924 1.00 0.00 C ATOM 1485 OG1 THR A 95 8.032 -1.681 4.198 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.143 -0.602 3.144 1.00 0.00 C ATOM 0 H THR A 95 6.200 -4.048 5.203 1.00 0.00 H new ATOM 0 HA THR A 95 6.216 -1.150 5.909 1.00 0.00 H new ATOM 0 HB THR A 95 6.486 -2.720 3.326 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.526 -1.605 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.692 -0.518 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.080 -0.718 2.933 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.299 0.299 3.738 1.00 0.00 H new ATOM 1494 N VAL A 96 3.759 -0.812 5.482 1.00 0.00 N ATOM 1495 CA VAL A 96 2.300 -0.665 5.262 1.00 0.00 C ATOM 1496 C VAL A 96 2.037 0.630 4.505 1.00 0.00 C ATOM 1497 O VAL A 96 2.423 1.687 4.938 1.00 0.00 O ATOM 1498 CB VAL A 96 1.604 -0.605 6.622 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.087 -0.655 6.425 1.00 0.00 C ATOM 1500 CG2 VAL A 96 2.048 -1.798 7.475 1.00 0.00 C ATOM 0 H VAL A 96 4.194 -0.077 6.039 1.00 0.00 H new ATOM 0 HA VAL A 96 1.920 -1.508 4.685 1.00 0.00 H new ATOM 0 HB VAL A 96 1.873 0.323 7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.408 -0.612 7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.229 0.194 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.184 -1.582 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.552 -1.756 8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.780 -2.726 6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.128 -1.761 7.618 1.00 0.00 H new ATOM 1510 N ILE A 97 1.368 0.558 3.387 1.00 0.00 N ATOM 1511 CA ILE A 97 1.074 1.799 2.618 1.00 0.00 C ATOM 1512 C ILE A 97 -0.367 2.209 2.901 1.00 0.00 C ATOM 1513 O ILE A 97 -1.284 1.427 2.745 1.00 0.00 O ATOM 1514 CB ILE A 97 1.264 1.533 1.122 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.683 0.990 0.882 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.049 2.827 0.328 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.596 2.093 0.332 1.00 0.00 C ATOM 0 H ILE A 97 1.013 -0.305 2.974 1.00 0.00 H new ATOM 0 HA ILE A 97 1.751 2.600 2.916 1.00 0.00 H new ATOM 0 HB ILE A 97 0.534 0.796 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.093 0.602 1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.646 0.157 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.186 2.629 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.038 3.196 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.770 3.577 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.596 1.690 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.194 2.461 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.648 2.913 1.048 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.574 3.418 3.343 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.959 3.856 3.665 1.00 0.00 C ATOM 1531 C TYR A 98 -2.413 4.992 2.749 1.00 0.00 C ATOM 1532 O TYR A 98 -1.723 5.973 2.558 1.00 0.00 O ATOM 1533 CB TYR A 98 -2.004 4.368 5.103 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.953 3.218 6.082 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.036 2.338 6.190 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.828 3.046 6.900 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -2.997 1.290 7.117 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.788 1.994 7.823 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.872 1.116 7.931 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.835 0.083 8.846 1.00 0.00 O ATOM 0 H TYR A 98 0.152 4.118 3.494 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.619 3.000 3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.165 5.041 5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.915 4.946 5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.902 2.468 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.008 3.725 6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.836 0.615 7.204 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.080 1.860 8.452 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.970 0.085 9.306 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.601 4.877 2.227 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.165 5.955 1.370 1.00 0.00 C ATOM 1552 C TRP A 99 -5.359 6.550 2.116 1.00 0.00 C ATOM 1553 O TRP A 99 -6.090 5.841 2.778 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.652 5.374 0.039 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.511 5.213 -0.910 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -3.042 6.179 -1.733 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.701 4.030 -1.163 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.995 5.663 -2.475 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.746 4.343 -2.159 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.702 2.729 -0.628 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.826 3.394 -2.610 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.777 1.775 -1.078 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.843 2.108 -2.068 1.00 0.00 C ATOM 0 H TRP A 99 -4.213 4.072 2.360 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.405 6.709 1.164 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.130 4.409 0.210 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.405 6.030 -0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.423 7.187 -1.800 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.471 6.193 -3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.419 2.463 0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.107 3.653 -3.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.785 0.779 -0.659 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.135 1.368 -2.412 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.580 7.830 2.028 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.746 8.403 2.755 1.00 0.00 C ATOM 1576 C LEU A 100 -8.010 8.072 1.962 1.00 0.00 C ATOM 1577 O LEU A 100 -8.036 8.178 0.751 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.595 9.920 2.879 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.113 10.294 2.869 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.955 11.764 3.253 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.353 9.425 3.874 1.00 0.00 C ATOM 0 H LEU A 100 -5.017 8.494 1.496 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.805 7.980 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.110 10.415 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.061 10.267 3.801 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.709 10.130 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.898 12.030 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.491 12.387 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.363 11.925 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.297 9.695 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.758 9.585 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.462 8.375 3.602 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.054 7.659 2.624 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.299 7.307 1.886 1.00 0.00 C ATOM 1595 C ALA A 101 -11.524 7.830 2.635 1.00 0.00 C ATOM 1596 O ALA A 101 -11.503 8.014 3.835 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.397 5.786 1.756 1.00 0.00 C ATOM 0 H ALA A 101 -9.100 7.550 3.637 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.266 7.764 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.307 5.525 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.531 5.411 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.422 5.337 2.749 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.596 8.066 1.928 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.835 8.573 2.582 1.00 0.00 C ATOM 1605 C GLU A 102 -15.016 7.681 2.192 1.00 0.00 C ATOM 1606 O GLU A 102 -15.288 7.488 1.025 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.107 10.001 2.102 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.364 10.544 2.786 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.724 11.905 2.184 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.926 12.422 1.419 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.795 12.400 2.490 1.00 0.00 O ATOM 0 H GLU A 102 -12.666 7.928 0.920 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.708 8.563 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.253 10.640 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.236 10.013 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.192 9.847 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.194 10.642 3.858 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.723 7.141 3.148 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.883 6.271 2.799 1.00 0.00 C ATOM 1621 C VAL A 103 -18.071 7.148 2.393 1.00 0.00 C ATOM 1622 O VAL A 103 -18.393 8.129 3.033 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.239 5.373 3.986 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.974 4.695 4.486 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.834 6.194 5.126 1.00 0.00 C ATOM 0 H VAL A 103 -15.550 7.263 4.146 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.623 5.628 1.958 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.972 4.636 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.216 4.052 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.543 4.094 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.255 5.452 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.080 5.535 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.110 6.939 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.738 6.695 4.780 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.692 6.811 1.300 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.836 7.617 0.783 1.00 0.00 C ATOM 1637 C LYS A 104 -20.981 7.678 1.796 1.00 0.00 C ATOM 1638 O LYS A 104 -21.614 8.701 1.965 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.351 6.948 -0.485 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.224 6.851 -1.508 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.713 6.049 -2.710 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.525 5.696 -3.608 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.023 5.117 -4.888 1.00 0.00 N ATOM 0 H LYS A 104 -18.453 5.998 0.732 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.490 8.633 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.732 5.953 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.182 7.520 -0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.913 7.848 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.352 6.370 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.212 5.140 -2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.447 6.627 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.929 6.587 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.873 4.983 -3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.355 5.340 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.108 4.085 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.954 5.522 -5.113 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.283 6.587 2.443 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.424 6.598 3.405 1.00 0.00 C ATOM 1659 C ASP A 105 -21.940 6.741 4.844 1.00 0.00 C ATOM 1660 O ASP A 105 -21.035 6.065 5.281 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.202 5.290 3.278 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.582 5.565 2.677 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.171 6.573 3.028 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.025 4.761 1.872 1.00 0.00 O ATOM 0 H ASP A 105 -20.796 5.696 2.350 1.00 0.00 H new ATOM 0 HA ASP A 105 -23.058 7.451 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.654 4.590 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.308 4.823 4.257 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.571 7.605 5.591 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.189 7.781 7.018 1.00 0.00 C ATOM 1672 C TYR A 106 -22.491 6.479 7.757 1.00 0.00 C ATOM 1673 O TYR A 106 -21.708 6.002 8.555 1.00 0.00 O ATOM 1674 CB TYR A 106 -23.007 8.920 7.630 1.00 0.00 C ATOM 1675 CG TYR A 106 -23.038 8.782 9.135 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.903 8.343 9.829 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -24.210 9.091 9.839 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -21.940 8.214 11.225 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -24.246 8.962 11.232 1.00 0.00 C ATOM 1680 CZ TYR A 106 -23.111 8.524 11.925 1.00 0.00 C ATOM 1681 OH TYR A 106 -23.147 8.399 13.298 1.00 0.00 O ATOM 0 H TYR A 106 -23.337 8.198 5.272 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.129 8.024 7.099 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.572 9.881 7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.022 8.904 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.999 8.104 9.289 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.086 9.429 9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -21.065 7.875 11.760 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -25.150 9.200 11.773 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.034 8.655 13.627 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.620 5.894 7.470 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.989 4.611 8.120 1.00 0.00 C ATOM 1693 C ASP A 107 -23.555 3.474 7.197 1.00 0.00 C ATOM 1694 O ASP A 107 -24.014 2.354 7.306 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.503 4.551 8.333 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.915 5.609 9.361 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -25.036 6.144 10.014 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -27.103 5.865 9.476 1.00 0.00 O ATOM 0 H ASP A 107 -24.307 6.254 6.807 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.498 4.525 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -26.021 4.724 7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.794 3.559 8.679 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.666 3.767 6.284 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.184 2.728 5.335 1.00 0.00 C ATOM 1706 C VAL A 108 -22.063 1.398 6.076 1.00 0.00 C ATOM 1707 O VAL A 108 -21.767 1.357 7.253 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.823 3.161 4.789 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.903 3.513 5.954 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.192 2.032 3.976 1.00 0.00 C ATOM 0 H VAL A 108 -22.252 4.690 6.157 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.882 2.608 4.506 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.961 4.029 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.931 3.822 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.341 4.328 6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.778 2.641 6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.224 2.356 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.057 1.157 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.844 1.776 3.141 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.313 0.312 5.402 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.240 -1.007 6.076 1.00 0.00 C ATOM 1722 C GLU A 109 -20.834 -1.260 6.591 1.00 0.00 C ATOM 1723 O GLU A 109 -19.845 -0.907 5.975 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.644 -2.121 5.108 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.443 -3.027 4.807 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.809 -3.998 3.681 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -22.941 -3.949 3.228 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -20.950 -4.772 3.291 1.00 0.00 O ATOM 0 H GLU A 109 -22.564 0.283 4.414 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.931 -1.001 6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.454 -2.710 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.022 -1.688 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.582 -2.424 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.158 -3.581 5.701 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.757 -1.885 7.715 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.440 -2.211 8.320 1.00 0.00 C ATOM 1738 C ILE A 110 -19.372 -3.712 8.574 1.00 0.00 C ATOM 1739 O ILE A 110 -19.994 -4.226 9.483 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.275 -1.458 9.641 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -19.131 0.041 9.359 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -18.029 -1.967 10.366 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.884 0.289 8.503 1.00 0.00 C ATOM 0 H ILE A 110 -21.564 -2.194 8.257 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.641 -1.913 7.641 1.00 0.00 H new ATOM 0 HB ILE A 110 -20.151 -1.625 10.268 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -20.017 0.410 8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -19.055 0.592 10.297 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.911 -1.430 11.307 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -18.135 -3.033 10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -17.151 -1.801 9.741 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.785 1.356 8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -17.001 -0.064 9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.978 -0.248 7.559 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.618 -4.422 7.785 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.511 -5.887 7.997 1.00 0.00 C ATOM 1757 C ARG A 111 -17.156 -6.192 8.607 1.00 0.00 C ATOM 1758 O ARG A 111 -16.125 -5.823 8.085 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.666 -6.623 6.672 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.972 -7.413 6.700 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.903 -8.465 7.807 1.00 0.00 C ATOM 1762 NE ARG A 111 -20.271 -9.799 7.254 1.00 0.00 N ATOM 1763 CZ ARG A 111 -20.606 -10.767 8.062 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -20.623 -10.565 9.352 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -20.922 -11.938 7.581 1.00 0.00 N ATOM 0 H ARG A 111 -18.074 -4.052 7.006 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.302 -6.220 8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -18.671 -5.914 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.822 -7.294 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.813 -6.741 6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.141 -7.893 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -18.898 -8.499 8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -20.579 -8.198 8.619 1.00 0.00 H new ATOM 0 HE ARG A 111 -20.261 -9.955 6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.374 -9.650 9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.885 -11.322 9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -20.907 -12.096 6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -21.184 -12.695 8.212 1.00 0.00 H new ATOM 1779 N LEU A 112 -17.156 -6.847 9.727 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.870 -7.160 10.398 1.00 0.00 C ATOM 1781 C LEU A 112 -15.566 -8.650 10.264 1.00 0.00 C ATOM 1782 O LEU A 112 -16.436 -9.487 10.394 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.983 -6.795 11.879 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.631 -5.415 12.027 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.530 -4.970 13.486 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.920 -4.391 11.131 1.00 0.00 C ATOM 0 H LEU A 112 -17.991 -7.180 10.208 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.066 -6.589 9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.577 -7.544 12.403 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.995 -6.794 12.339 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.677 -5.478 11.726 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.989 -3.988 13.600 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -17.047 -5.688 14.122 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.481 -4.916 13.778 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.392 -3.416 11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.871 -4.323 11.418 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.992 -4.707 10.090 1.00 0.00 H new ATOM 1798 N SER A 113 -14.333 -8.990 10.013 1.00 0.00 N ATOM 1799 CA SER A 113 -13.972 -10.428 9.888 1.00 0.00 C ATOM 1800 C SER A 113 -13.607 -10.961 11.272 1.00 0.00 C ATOM 1801 O SER A 113 -13.419 -10.204 12.204 1.00 0.00 O ATOM 1802 CB SER A 113 -12.773 -10.577 8.948 1.00 0.00 C ATOM 1803 OG SER A 113 -12.485 -11.959 8.773 1.00 0.00 O ATOM 0 H SER A 113 -13.561 -8.335 9.889 1.00 0.00 H new ATOM 0 HA SER A 113 -14.813 -10.989 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.990 -10.114 7.986 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.906 -10.062 9.361 1.00 0.00 H new ATOM 0 HG SER A 113 -11.719 -12.060 8.170 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.508 -12.250 11.423 1.00 0.00 N ATOM 1810 CA HIS A 114 -13.157 -12.808 12.757 1.00 0.00 C ATOM 1811 C HIS A 114 -11.987 -12.010 13.337 1.00 0.00 C ATOM 1812 O HIS A 114 -11.849 -11.878 14.538 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.759 -14.277 12.610 1.00 0.00 C ATOM 1814 CG HIS A 114 -13.931 -15.060 12.083 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -14.111 -15.301 10.728 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -14.996 -15.657 12.715 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -15.245 -16.013 10.590 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -15.819 -16.256 11.769 1.00 0.00 N ATOM 0 H HIS A 114 -13.654 -12.939 10.685 1.00 0.00 H new ATOM 0 HA HIS A 114 -14.016 -12.738 13.425 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.911 -14.370 11.932 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.443 -14.678 13.573 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -15.167 -15.660 13.781 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -15.641 -16.346 9.642 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -16.681 -16.773 11.940 1.00 0.00 H new ATOM 1827 N GLU A 115 -11.146 -11.477 12.494 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.987 -10.685 12.993 1.00 0.00 C ATOM 1829 C GLU A 115 -10.494 -9.464 13.765 1.00 0.00 C ATOM 1830 O GLU A 115 -9.886 -9.031 14.726 1.00 0.00 O ATOM 1831 CB GLU A 115 -9.144 -10.218 11.805 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.539 -11.432 11.098 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.657 -10.961 9.940 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -6.955 -11.788 9.383 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -7.700 -9.782 9.630 1.00 0.00 O ATOM 0 H GLU A 115 -11.212 -11.556 11.479 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.381 -11.306 13.653 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.761 -9.649 11.109 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.352 -9.552 12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.950 -12.020 11.802 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.331 -12.081 10.725 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.602 -8.905 13.356 1.00 0.00 N ATOM 1844 CA HIS A 116 -12.149 -7.712 14.065 1.00 0.00 C ATOM 1845 C HIS A 116 -13.544 -8.038 14.606 1.00 0.00 C ATOM 1846 O HIS A 116 -14.345 -8.658 13.934 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.237 -6.536 13.091 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.858 -6.147 12.637 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -10.006 -5.381 13.422 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.167 -6.408 11.478 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.864 -5.209 12.731 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.911 -5.816 11.544 1.00 0.00 N ATOM 0 H HIS A 116 -12.153 -9.224 12.559 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.492 -7.446 14.893 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.849 -6.809 12.232 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.724 -5.688 13.573 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -10.209 -5.015 14.352 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.542 -6.984 10.645 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.014 -4.649 13.093 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.841 -7.631 15.813 1.00 0.00 N ATOM 1862 CA GLN A 117 -15.185 -7.928 16.387 1.00 0.00 C ATOM 1863 C GLN A 117 -16.026 -6.651 16.450 1.00 0.00 C ATOM 1864 O GLN A 117 -17.240 -6.697 16.435 1.00 0.00 O ATOM 1865 CB GLN A 117 -15.029 -8.502 17.798 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.614 -7.391 18.768 1.00 0.00 C ATOM 1867 CD GLN A 117 -14.273 -8.004 20.128 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -14.650 -7.393 21.218 1.00 0.00 O flip ATOM 1869 NE2 GLN A 117 -13.658 -9.050 20.201 1.00 0.00 N flip ATOM 0 H GLN A 117 -13.213 -7.108 16.423 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.686 -8.656 15.749 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -15.968 -8.950 18.124 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.281 -9.295 17.797 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.753 -6.852 18.374 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.421 -6.667 18.875 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -13.363 -9.529 19.350 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.437 -9.449 21.113 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.399 -5.507 16.535 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.183 -4.241 16.609 1.00 0.00 C ATOM 1880 C ALA A 118 -15.389 -3.090 15.985 1.00 0.00 C ATOM 1881 O ALA A 118 -14.183 -3.147 15.860 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.480 -3.915 18.073 1.00 0.00 C ATOM 0 H ALA A 118 -14.385 -5.395 16.556 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.116 -4.368 16.060 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.053 -2.990 18.131 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.056 -4.727 18.517 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.543 -3.796 18.617 1.00 0.00 H new ATOM 1888 N TYR A 119 -16.067 -2.043 15.598 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.373 -0.874 14.986 1.00 0.00 C ATOM 1890 C TYR A 119 -15.886 0.415 15.631 1.00 0.00 C ATOM 1891 O TYR A 119 -16.934 0.435 16.245 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.661 -0.846 13.486 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.124 -0.554 13.260 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -18.061 -1.590 13.346 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.546 0.747 12.960 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.419 -1.328 13.132 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.904 1.009 12.745 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.841 -0.028 12.832 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.179 0.230 12.621 1.00 0.00 O ATOM 0 H TYR A 119 -17.079 -1.947 15.680 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.298 -0.957 15.149 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -15.048 -0.086 13.001 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.396 -1.803 13.036 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.736 -2.593 13.578 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.824 1.548 12.895 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.141 -2.129 13.198 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.230 2.012 12.512 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.302 1.182 12.425 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.152 1.490 15.509 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.609 2.766 16.130 1.00 0.00 C ATOM 1911 C ARG A 120 -15.353 3.940 15.184 1.00 0.00 C ATOM 1912 O ARG A 120 -14.386 3.965 14.450 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.819 3.015 17.414 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.061 1.882 18.408 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.265 2.161 19.684 1.00 0.00 C ATOM 1916 NE ARG A 120 -14.915 3.266 20.442 1.00 0.00 N ATOM 1917 CZ ARG A 120 -16.021 3.044 21.099 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.558 1.855 21.085 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -16.588 4.011 21.766 1.00 0.00 N ATOM 0 H ARG A 120 -14.263 1.539 15.010 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.676 2.686 16.340 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.755 3.089 17.187 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.118 3.966 17.855 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.124 1.803 18.637 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -14.756 0.929 17.975 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.217 1.263 20.299 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -13.239 2.431 19.434 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.496 4.196 20.448 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -16.114 1.101 20.561 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -17.422 1.680 21.598 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -16.167 4.940 21.774 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -17.452 3.838 22.279 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.193 4.937 15.240 1.00 0.00 N ATOM 1934 CA TRP A 121 -15.983 6.142 14.393 1.00 0.00 C ATOM 1935 C TRP A 121 -15.615 7.297 15.321 1.00 0.00 C ATOM 1936 O TRP A 121 -16.440 7.796 16.058 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.269 6.478 13.632 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.372 5.609 12.421 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.084 4.462 12.343 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.762 5.803 11.114 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.943 3.933 11.070 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.137 4.727 10.273 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.924 6.800 10.582 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.695 4.643 8.953 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.479 6.719 9.254 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.863 5.644 8.441 1.00 0.00 C ATOM 0 H TRP A 121 -17.018 4.968 15.839 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.191 5.964 13.665 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.135 6.327 14.276 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.268 7.528 13.340 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.667 4.029 13.142 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.380 3.065 10.759 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.621 7.633 11.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.993 3.812 8.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.836 7.490 8.856 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.517 5.589 7.420 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.375 7.707 15.321 1.00 0.00 N ATOM 1958 CA LEU A 122 -13.963 8.808 16.236 1.00 0.00 C ATOM 1959 C LEU A 122 -13.175 9.866 15.468 1.00 0.00 C ATOM 1960 O LEU A 122 -12.843 9.695 14.312 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.082 8.247 17.359 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.445 6.780 17.644 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.357 5.863 17.084 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.566 6.562 19.157 1.00 0.00 C ATOM 0 H LEU A 122 -13.634 7.329 14.730 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.859 9.261 16.660 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.032 8.320 17.077 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.211 8.842 18.263 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.397 6.548 17.167 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.617 4.824 17.287 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.274 6.012 16.007 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.404 6.098 17.558 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.823 5.522 19.355 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.616 6.798 19.636 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.345 7.211 19.557 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.870 10.962 16.109 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.102 12.041 15.430 1.00 0.00 C ATOM 1978 C GLY A 123 -10.607 11.720 15.488 1.00 0.00 C ATOM 1979 O GLY A 123 -10.200 10.700 16.009 1.00 0.00 O ATOM 0 H GLY A 123 -13.122 11.156 17.078 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.425 12.134 14.393 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.298 12.999 15.912 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.788 12.583 14.956 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.320 12.335 14.974 1.00 0.00 C ATOM 1985 C LEU A 124 -7.836 12.171 16.415 1.00 0.00 C ATOM 1986 O LEU A 124 -6.990 11.350 16.703 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.603 13.524 14.329 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.086 13.332 14.420 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.704 11.945 13.909 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.397 14.390 13.558 1.00 0.00 C ATOM 0 H LEU A 124 -10.074 13.453 14.507 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.101 11.423 14.419 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.904 13.619 13.286 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.892 14.448 14.829 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.772 13.431 15.459 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.624 11.817 13.977 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.198 11.185 14.514 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.017 11.841 12.870 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.316 14.260 13.617 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.719 14.282 12.522 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.664 15.383 13.919 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.356 12.954 17.317 1.00 0.00 N ATOM 2003 CA GLU A 125 -7.917 12.858 18.741 1.00 0.00 C ATOM 2004 C GLU A 125 -8.163 11.449 19.279 1.00 0.00 C ATOM 2005 O GLU A 125 -7.266 10.805 19.788 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.709 13.866 19.578 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.188 13.461 19.618 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.005 14.584 20.258 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -12.218 14.462 20.292 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -10.404 15.548 20.702 1.00 0.00 O ATOM 0 H GLU A 125 -9.069 13.660 17.131 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.851 13.077 18.801 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.307 13.908 20.590 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.607 14.865 19.153 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.550 13.263 18.609 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.309 12.539 20.187 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.364 10.961 19.176 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.659 9.596 19.687 1.00 0.00 C ATOM 2020 C GLU A 126 -9.012 8.570 18.766 1.00 0.00 C ATOM 2021 O GLU A 126 -8.344 7.657 19.204 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.166 9.384 19.703 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.697 9.508 21.131 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.110 10.750 21.808 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.728 11.799 21.712 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.059 10.630 22.415 1.00 0.00 O ATOM 0 H GLU A 126 -10.157 11.449 18.759 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.264 9.483 20.697 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.652 10.119 19.061 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.407 8.400 19.301 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.785 9.572 21.118 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.437 8.617 21.702 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.181 8.717 17.488 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.548 7.751 16.566 1.00 0.00 C ATOM 2036 C ALA A 127 -7.074 7.665 16.945 1.00 0.00 C ATOM 2037 O ALA A 127 -6.446 6.634 16.839 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.702 8.249 15.134 1.00 0.00 C ATOM 0 H ALA A 127 -9.725 9.458 17.046 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.013 6.768 16.637 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.236 7.539 14.450 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.761 8.343 14.894 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.219 9.221 15.033 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.534 8.753 17.418 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.111 8.764 17.850 1.00 0.00 C ATOM 2046 C CYS A 128 -5.008 8.083 19.218 1.00 0.00 C ATOM 2047 O CYS A 128 -4.065 7.372 19.500 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.634 10.212 17.963 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.845 10.712 16.411 1.00 0.00 S ATOM 0 H CYS A 128 -7.023 9.642 17.524 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.493 8.234 17.126 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.477 10.867 18.182 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.930 10.311 18.789 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.441 11.944 16.507 1.00 0.00 H new ATOM 2055 N GLN A 129 -5.976 8.301 20.073 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.935 7.670 21.421 1.00 0.00 C ATOM 2057 C GLN A 129 -6.041 6.150 21.283 1.00 0.00 C ATOM 2058 O GLN A 129 -5.270 5.411 21.863 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.086 8.228 22.278 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.340 7.358 22.165 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.200 6.127 23.062 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.127 5.834 23.549 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.252 5.395 23.310 1.00 0.00 N ATOM 0 H GLN A 129 -6.790 8.888 19.893 1.00 0.00 H new ATOM 0 HA GLN A 129 -4.990 7.902 21.912 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.772 8.282 23.320 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.317 9.245 21.961 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.220 7.933 22.455 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.488 7.050 21.130 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.153 5.642 22.901 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.173 4.576 23.913 1.00 0.00 H new ATOM 2072 N LEU A 130 -6.973 5.675 20.507 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.106 4.202 20.319 1.00 0.00 C ATOM 2074 C LEU A 130 -5.887 3.690 19.560 1.00 0.00 C ATOM 2075 O LEU A 130 -5.307 2.678 19.900 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.365 3.905 19.505 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.604 4.291 20.311 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.652 4.876 19.373 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.180 3.052 20.988 1.00 0.00 C ATOM 0 H LEU A 130 -7.649 6.241 19.994 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.176 3.711 21.289 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.342 4.460 18.567 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.402 2.846 19.248 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.329 5.027 21.067 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.538 5.153 19.945 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.247 5.760 18.881 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.922 4.134 18.621 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.064 3.329 21.563 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.455 2.318 20.230 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.433 2.622 21.656 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.480 4.397 18.541 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.284 3.967 17.772 1.00 0.00 C ATOM 2093 C ALA A 131 -3.048 4.394 18.558 1.00 0.00 C ATOM 2094 O ALA A 131 -2.168 5.063 18.055 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.288 4.627 16.394 1.00 0.00 C ATOM 0 H ALA A 131 -5.925 5.253 18.210 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.287 2.886 17.631 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.408 4.308 15.835 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.188 4.334 15.853 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.271 5.711 16.510 1.00 0.00 H new ATOM 2101 N GLN A 132 -2.999 4.012 19.802 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.854 4.382 20.679 1.00 0.00 C ATOM 2103 C GLN A 132 -0.551 4.351 19.886 1.00 0.00 C ATOM 2104 O GLN A 132 0.351 5.127 20.125 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.754 3.373 21.817 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.045 1.972 21.273 1.00 0.00 C ATOM 2107 CD GLN A 132 -1.034 0.979 21.849 1.00 0.00 C ATOM 2108 OE1 GLN A 132 0.241 1.225 21.730 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -1.409 -0.028 22.413 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.717 3.448 20.257 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.017 5.386 21.070 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.759 3.405 22.261 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.463 3.625 22.606 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.058 1.671 21.539 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -1.988 1.974 20.184 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.407 -0.219 22.505 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -0.727 -0.683 22.795 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.437 3.454 18.954 1.00 0.00 N ATOM 2119 CA PHE A 133 0.819 3.373 18.166 1.00 0.00 C ATOM 2120 C PHE A 133 1.091 4.726 17.503 1.00 0.00 C ATOM 2121 O PHE A 133 0.272 5.252 16.777 1.00 0.00 O ATOM 2122 CB PHE A 133 0.674 2.292 17.091 1.00 0.00 C ATOM 2123 CG PHE A 133 0.114 1.031 17.711 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.556 0.604 18.971 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -0.858 0.290 17.024 1.00 0.00 C ATOM 2126 CE1 PHE A 133 0.031 -0.561 19.540 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.383 -0.876 17.595 1.00 0.00 C ATOM 2128 CZ PHE A 133 -0.939 -1.302 18.853 1.00 0.00 C ATOM 0 H PHE A 133 -1.156 2.775 18.703 1.00 0.00 H new ATOM 0 HA PHE A 133 1.650 3.120 18.824 1.00 0.00 H new ATOM 0 HB2 PHE A 133 0.015 2.642 16.296 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.642 2.086 16.635 1.00 0.00 H new ATOM 0 HD1 PHE A 133 1.303 1.175 19.503 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -1.202 0.618 16.054 1.00 0.00 H new ATOM 0 HE1 PHE A 133 0.374 -0.889 20.510 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.131 -1.447 17.065 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.344 -2.201 19.293 1.00 0.00 H new ATOM 2138 N LYS A 134 2.243 5.287 17.755 1.00 0.00 N ATOM 2139 CA LYS A 134 2.589 6.608 17.153 1.00 0.00 C ATOM 2140 C LYS A 134 2.497 6.527 15.629 1.00 0.00 C ATOM 2141 O LYS A 134 2.132 7.479 14.968 1.00 0.00 O ATOM 2142 CB LYS A 134 4.016 6.982 17.555 1.00 0.00 C ATOM 2143 CG LYS A 134 4.389 8.331 16.939 1.00 0.00 C ATOM 2144 CD LYS A 134 5.845 8.660 17.275 1.00 0.00 C ATOM 2145 CE LYS A 134 6.204 10.034 16.709 1.00 0.00 C ATOM 2146 NZ LYS A 134 7.465 9.931 15.920 1.00 0.00 N ATOM 0 H LYS A 134 2.963 4.885 18.355 1.00 0.00 H new ATOM 0 HA LYS A 134 1.891 7.363 17.513 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.097 7.033 18.641 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.712 6.213 17.219 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.252 8.300 15.858 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.731 9.112 17.321 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.990 8.651 18.355 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.506 7.900 16.858 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.396 10.402 16.077 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.327 10.753 17.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.710 10.865 15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 8.234 9.598 16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 7.331 9.258 15.138 1.00 0.00 H new ATOM 2160 N GLU A 135 2.844 5.408 15.068 1.00 0.00 N ATOM 2161 CA GLU A 135 2.797 5.265 13.586 1.00 0.00 C ATOM 2162 C GLU A 135 1.393 5.573 13.091 1.00 0.00 C ATOM 2163 O GLU A 135 1.200 6.277 12.119 1.00 0.00 O ATOM 2164 CB GLU A 135 3.116 3.821 13.224 1.00 0.00 C ATOM 2165 CG GLU A 135 4.329 3.364 14.025 1.00 0.00 C ATOM 2166 CD GLU A 135 4.663 1.917 13.663 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.874 1.311 12.962 1.00 0.00 O ATOM 2168 OE2 GLU A 135 5.699 1.441 14.099 1.00 0.00 O ATOM 0 H GLU A 135 3.160 4.580 15.572 1.00 0.00 H new ATOM 0 HA GLU A 135 3.515 5.948 13.132 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.260 3.181 13.439 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.317 3.736 12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.182 4.009 13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.125 3.445 15.093 1.00 0.00 H new ATOM 2176 N MET A 136 0.408 5.032 13.744 1.00 0.00 N ATOM 2177 CA MET A 136 -0.985 5.267 13.310 1.00 0.00 C ATOM 2178 C MET A 136 -1.434 6.654 13.751 1.00 0.00 C ATOM 2179 O MET A 136 -2.038 7.387 12.992 1.00 0.00 O ATOM 2180 CB MET A 136 -1.870 4.193 13.924 1.00 0.00 C ATOM 2181 CG MET A 136 -1.292 2.821 13.572 1.00 0.00 C ATOM 2182 SD MET A 136 -0.966 2.731 11.795 1.00 0.00 S ATOM 2183 CE MET A 136 -2.601 3.245 11.218 1.00 0.00 C ATOM 0 H MET A 136 0.512 4.434 14.564 1.00 0.00 H new ATOM 0 HA MET A 136 -1.058 5.217 12.224 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.919 4.316 15.006 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.889 4.282 13.547 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.371 2.651 14.129 1.00 0.00 H new ATOM 0 HG3 MET A 136 -1.990 2.036 13.863 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.767 2.866 10.210 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.365 2.846 11.886 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.658 4.333 11.210 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.122 7.043 14.955 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.519 8.406 15.388 1.00 0.00 C ATOM 2195 C LYS A 137 -0.905 9.383 14.399 1.00 0.00 C ATOM 2196 O LYS A 137 -1.492 10.386 14.054 1.00 0.00 O ATOM 2197 CB LYS A 137 -0.991 8.683 16.796 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.905 8.009 17.821 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.073 7.275 18.872 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.345 8.269 19.781 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.011 9.507 19.021 1.00 0.00 N ATOM 0 H LYS A 137 -0.618 6.486 15.645 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.604 8.507 15.411 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.027 8.306 16.896 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.952 9.757 16.977 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.535 8.756 18.303 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.570 7.307 17.319 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.719 6.634 19.471 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.348 6.627 18.380 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.972 8.517 20.638 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.566 7.816 20.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.527 10.154 19.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.561 9.260 18.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -0.888 9.972 18.712 1.00 0.00 H new ATOM 2215 N ALA A 138 0.269 9.068 13.921 1.00 0.00 N ATOM 2216 CA ALA A 138 0.935 9.944 12.923 1.00 0.00 C ATOM 2217 C ALA A 138 0.237 9.775 11.574 1.00 0.00 C ATOM 2218 O ALA A 138 -0.100 10.738 10.912 1.00 0.00 O ATOM 2219 CB ALA A 138 2.396 9.540 12.787 1.00 0.00 C ATOM 0 H ALA A 138 0.796 8.235 14.183 1.00 0.00 H new ATOM 0 HA ALA A 138 0.876 10.983 13.246 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.885 10.183 12.055 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.894 9.645 13.751 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.458 8.503 12.458 1.00 0.00 H new ATOM 2225 N ALA A 139 0.004 8.553 11.166 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.687 8.325 9.866 1.00 0.00 C ATOM 2227 C ALA A 139 -2.044 9.011 9.928 1.00 0.00 C ATOM 2228 O ALA A 139 -2.431 9.741 9.040 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.889 6.824 9.648 1.00 0.00 C ATOM 0 H ALA A 139 0.262 7.708 11.676 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.091 8.726 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.395 6.659 8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.080 6.325 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.496 6.417 10.457 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.755 8.798 10.996 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.074 9.451 11.157 1.00 0.00 C ATOM 2237 C LEU A 140 -3.836 10.961 11.227 1.00 0.00 C ATOM 2238 O LEU A 140 -4.663 11.759 10.835 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.713 8.965 12.460 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.843 7.438 12.426 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.817 6.879 13.850 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.167 7.051 11.764 1.00 0.00 C ATOM 0 H LEU A 140 -2.474 8.194 11.769 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.737 9.210 10.326 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.105 9.270 13.312 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.694 9.422 12.589 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.009 7.025 11.858 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.910 5.793 13.817 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.876 7.148 14.329 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.647 7.297 14.420 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.258 5.965 11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -6.995 7.472 12.333 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.192 7.439 10.746 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.696 11.342 11.742 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.355 12.788 11.876 1.00 0.00 C ATOM 2256 C GLN A 141 -1.980 13.385 10.517 1.00 0.00 C ATOM 2257 O GLN A 141 -2.498 14.406 10.115 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.151 12.914 12.810 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.608 13.438 14.169 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.884 14.939 14.069 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -1.823 15.523 12.904 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -2.155 15.586 15.060 1.00 0.00 N flip ATOM 0 H GLN A 141 -1.977 10.702 12.080 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.219 13.322 12.270 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.666 11.945 12.927 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.413 13.590 12.378 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.507 12.912 14.490 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.842 13.247 14.921 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.203 15.129 15.970 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.335 16.587 14.982 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.068 12.769 9.819 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.646 13.320 8.502 1.00 0.00 C ATOM 2273 C GLU A 142 -1.820 13.277 7.520 1.00 0.00 C ATOM 2274 O GLU A 142 -1.995 14.170 6.716 1.00 0.00 O ATOM 2275 CB GLU A 142 0.518 12.491 7.954 1.00 0.00 C ATOM 2276 CG GLU A 142 1.709 12.586 8.910 1.00 0.00 C ATOM 2277 CD GLU A 142 2.181 14.038 9.001 1.00 0.00 C ATOM 2278 OE1 GLU A 142 1.838 14.809 8.120 1.00 0.00 O ATOM 2279 OE2 GLU A 142 2.880 14.354 9.949 1.00 0.00 O ATOM 0 H GLU A 142 -0.597 11.910 10.103 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.327 14.355 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.214 11.451 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.802 12.853 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.425 12.223 9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 142 2.522 11.950 8.558 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.627 12.254 7.580 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.784 12.179 6.646 1.00 0.00 C ATOM 2289 C GLY A 143 -4.665 13.412 6.843 1.00 0.00 C ATOM 2290 O GLY A 143 -5.020 14.090 5.900 1.00 0.00 O ATOM 0 H GLY A 143 -2.537 11.473 8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.433 12.128 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.359 11.272 6.832 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.009 13.716 8.063 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.854 14.915 8.322 1.00 0.00 C ATOM 2296 C HIS A 144 -5.103 16.168 7.871 1.00 0.00 C ATOM 2297 O HIS A 144 -5.664 17.065 7.278 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.150 15.020 9.820 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.060 16.189 10.073 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -8.425 16.280 10.194 1.00 0.00 N flip ATOM 2301 CD2 HIS A 144 -6.578 17.480 10.244 1.00 0.00 C flip ATOM 2302 CE1 HIS A 144 -8.784 17.602 10.435 1.00 0.00 C flip ATOM 2303 NE2 HIS A 144 -7.637 18.284 10.456 1.00 0.00 N flip ATOM 0 H HIS A 144 -4.742 13.186 8.892 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.790 14.825 7.770 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.616 14.100 10.174 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.221 15.142 10.377 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -9.076 15.498 10.119 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -5.542 17.784 10.213 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -9.781 17.994 10.575 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.835 16.231 8.161 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.032 17.423 7.769 1.00 0.00 C ATOM 2314 C GLN A 145 -3.090 17.628 6.252 1.00 0.00 C ATOM 2315 O GLN A 145 -3.218 18.738 5.772 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.575 17.199 8.184 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.786 18.494 7.984 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.225 19.528 9.020 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.400 19.209 10.180 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.415 20.765 8.650 1.00 0.00 N ATOM 0 H GLN A 145 -3.317 15.505 8.655 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.438 18.305 8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.526 16.888 9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.135 16.397 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.282 18.299 8.080 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.950 18.880 6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.269 21.035 7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.710 21.462 9.334 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.974 16.572 5.495 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.999 16.711 4.010 1.00 0.00 C ATOM 2331 C PHE A 146 -4.412 17.021 3.505 1.00 0.00 C ATOM 2332 O PHE A 146 -4.609 17.927 2.718 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.512 15.410 3.377 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.553 15.541 1.874 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.770 15.404 1.199 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.378 15.794 1.155 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.816 15.517 -0.193 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.423 15.908 -0.240 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.644 15.771 -0.915 1.00 0.00 C ATOM 0 H PHE A 146 -2.863 15.618 5.840 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.346 17.538 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.497 15.189 3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.139 14.579 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.676 15.211 1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.438 15.901 1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.757 15.408 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.517 16.101 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.680 15.861 -1.991 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.394 16.272 3.929 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.780 16.531 3.443 1.00 0.00 C ATOM 2351 C LEU A 147 -7.141 17.997 3.674 1.00 0.00 C ATOM 2352 O LEU A 147 -7.801 18.617 2.864 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.770 15.627 4.182 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.465 14.161 3.857 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.482 13.259 4.552 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.560 13.937 2.347 1.00 0.00 C ATOM 0 H LEU A 147 -5.298 15.498 4.586 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.831 16.314 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.699 15.795 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.791 15.871 3.888 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.459 13.923 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.263 12.217 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.425 13.410 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.485 13.505 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.342 12.893 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.566 14.181 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.839 14.577 1.838 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.703 18.564 4.759 1.00 0.00 N ATOM 2369 CA CYS A 148 -7.012 19.995 5.019 1.00 0.00 C ATOM 2370 C CYS A 148 -6.263 20.855 3.999 1.00 0.00 C ATOM 2371 O CYS A 148 -6.546 22.023 3.826 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.567 20.368 6.434 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.582 19.481 7.639 1.00 0.00 S ATOM 0 H CYS A 148 -6.145 18.100 5.476 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.085 20.165 4.928 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.515 20.117 6.574 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.661 21.443 6.585 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.064 19.614 8.824 1.00 0.00 H new ATOM 2379 N SER A 149 -5.293 20.283 3.336 1.00 0.00 N ATOM 2380 CA SER A 149 -4.499 21.057 2.337 1.00 0.00 C ATOM 2381 C SER A 149 -5.180 21.032 0.966 1.00 0.00 C ATOM 2382 O SER A 149 -4.771 21.724 0.055 1.00 0.00 O ATOM 2383 CB SER A 149 -3.112 20.432 2.207 1.00 0.00 C ATOM 2384 OG SER A 149 -2.125 21.449 2.310 1.00 0.00 O ATOM 0 H SER A 149 -5.015 19.308 3.444 1.00 0.00 H new ATOM 0 HA SER A 149 -4.424 22.090 2.677 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.963 19.685 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 149 -3.021 19.917 1.251 1.00 0.00 H new ATOM 0 HG SER A 149 -1.234 21.049 2.229 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.200 20.238 0.796 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.872 20.181 -0.528 1.00 0.00 C ATOM 2392 C ILE A 150 -7.904 21.306 -0.631 1.00 0.00 C ATOM 2393 O ILE A 150 -7.621 22.455 -0.356 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.578 18.830 -0.693 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.789 17.729 0.018 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.668 18.489 -2.180 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.612 16.439 0.016 1.00 0.00 C ATOM 0 H ILE A 150 -6.594 19.630 1.514 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.124 20.299 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.575 18.897 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.835 17.567 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.564 18.029 1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -8.169 17.529 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.235 19.263 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.664 18.431 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.054 15.651 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.555 16.608 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.814 16.138 -1.012 1.00 0.00 H new