USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 590 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 49 GLN :FLIP amide:sc= 0.21 F(o=-6.1!,f=-1.6) USER MOD Set 1.2: A 81 ASN : amide:sc= -1.83! C(o=-1.6!,f=-5.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.0518 (180deg=-0.487) USER MOD Single : A 22 GLN : amide:sc= -1.02! K(o=-1!,f=-1.5) USER MOD Single : A 23 ASN : amide:sc= -4.51! C(o=-4.5!,f=-18!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -7.45! C(o=-7.5!,f=-8.6!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.017) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 175:sc= -1.37 (180deg=-1.47) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 69 LYS NZ :NH3+ 140:sc= -2.62! (180deg=-4.96!) USER MOD Single : A 70 MET CE :methyl 169:sc=-0.00444 (180deg=-0.131) USER MOD Single : A 71 MET CE :methyl -164:sc= 0 (180deg=-0.235) USER MOD Single : A 72 MET CE :methyl 162:sc= 0 (180deg=-0.407) USER MOD Single : A 73 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 84 SER OG : rot 84:sc= 0.785 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 13.509 -2.217 -3.192 1.00 0.00 N ATOM 108 CA GLU A 9 13.296 -1.332 -4.329 1.00 0.00 C ATOM 109 C GLU A 9 11.821 -1.314 -4.717 1.00 0.00 C ATOM 110 O GLU A 9 11.277 -0.265 -5.062 1.00 0.00 O ATOM 111 CB GLU A 9 14.142 -1.793 -5.519 1.00 0.00 C ATOM 112 CG GLU A 9 14.060 -0.760 -6.645 1.00 0.00 C ATOM 113 CD GLU A 9 14.800 0.510 -6.242 1.00 0.00 C ATOM 114 OE1 GLU A 9 15.445 0.495 -5.205 1.00 0.00 O ATOM 115 OE2 GLU A 9 14.710 1.481 -6.974 1.00 0.00 O ATOM 0 HA GLU A 9 13.598 -0.323 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.179 -1.926 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.789 -2.761 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.494 -1.169 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.017 -0.530 -6.863 1.00 0.00 H new ATOM 122 N GLU A 10 11.183 -2.476 -4.664 1.00 0.00 N ATOM 123 CA GLU A 10 9.771 -2.576 -5.020 1.00 0.00 C ATOM 124 C GLU A 10 8.934 -1.669 -4.125 1.00 0.00 C ATOM 125 O GLU A 10 8.137 -0.867 -4.611 1.00 0.00 O ATOM 126 CB GLU A 10 9.299 -4.022 -4.869 1.00 0.00 C ATOM 127 CG GLU A 10 7.850 -4.139 -5.345 1.00 0.00 C ATOM 128 CD GLU A 10 7.405 -5.597 -5.308 1.00 0.00 C ATOM 129 OE1 GLU A 10 8.265 -6.453 -5.177 1.00 0.00 O ATOM 130 OE2 GLU A 10 6.214 -5.836 -5.410 1.00 0.00 O ATOM 0 H GLU A 10 11.615 -3.356 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 10 9.649 -2.261 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.938 -4.687 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.377 -4.334 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.200 -3.536 -4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.759 -3.748 -6.358 1.00 0.00 H new ATOM 137 N LEU A 11 9.127 -1.794 -2.816 1.00 0.00 N ATOM 138 CA LEU A 11 8.379 -0.975 -1.870 1.00 0.00 C ATOM 139 C LEU A 11 8.640 0.501 -2.130 1.00 0.00 C ATOM 140 O LEU A 11 7.719 1.317 -2.079 1.00 0.00 O ATOM 141 CB LEU A 11 8.804 -1.329 -0.432 1.00 0.00 C ATOM 142 CG LEU A 11 8.033 -2.555 0.054 1.00 0.00 C ATOM 143 CD1 LEU A 11 8.396 -3.766 -0.800 1.00 0.00 C ATOM 144 CD2 LEU A 11 8.385 -2.833 1.516 1.00 0.00 C ATOM 0 H LEU A 11 9.786 -2.446 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 11 7.315 -1.173 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.875 -1.526 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.615 -0.484 0.230 1.00 0.00 H new ATOM 0 HG LEU A 11 6.963 -2.365 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.843 -4.638 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.139 -3.568 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.466 -3.959 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.835 -3.708 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.455 -3.019 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.116 -1.970 2.125 1.00 0.00 H new ATOM 156 N LYS A 12 9.893 0.843 -2.406 1.00 0.00 N ATOM 157 CA LYS A 12 10.240 2.234 -2.671 1.00 0.00 C ATOM 158 C LYS A 12 9.568 2.731 -3.944 1.00 0.00 C ATOM 159 O LYS A 12 8.919 3.778 -3.945 1.00 0.00 O ATOM 160 CB LYS A 12 11.761 2.358 -2.810 1.00 0.00 C ATOM 161 CG LYS A 12 12.424 2.248 -1.425 1.00 0.00 C ATOM 162 CD LYS A 12 12.485 3.631 -0.770 1.00 0.00 C ATOM 163 CE LYS A 12 13.145 3.517 0.598 1.00 0.00 C ATOM 164 NZ LYS A 12 13.205 4.863 1.230 1.00 0.00 N ATOM 0 H LYS A 12 10.674 0.189 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 12 9.890 2.845 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.140 1.575 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.016 3.312 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.859 1.561 -0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.429 1.837 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.048 4.319 -1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.480 4.041 -0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.581 2.831 1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.149 3.105 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.655 4.788 2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.760 5.504 0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.241 5.238 1.339 1.00 0.00 H new ATOM 178 N GLU A 13 9.724 1.976 -5.024 1.00 0.00 N ATOM 179 CA GLU A 13 9.125 2.358 -6.298 1.00 0.00 C ATOM 180 C GLU A 13 7.619 2.543 -6.144 1.00 0.00 C ATOM 181 O GLU A 13 7.064 3.584 -6.517 1.00 0.00 O ATOM 182 CB GLU A 13 9.411 1.273 -7.344 1.00 0.00 C ATOM 183 CG GLU A 13 10.912 1.241 -7.663 1.00 0.00 C ATOM 184 CD GLU A 13 11.271 2.378 -8.614 1.00 0.00 C ATOM 185 OE1 GLU A 13 10.457 3.273 -8.773 1.00 0.00 O ATOM 186 OE2 GLU A 13 12.358 2.340 -9.166 1.00 0.00 O ATOM 0 H GLU A 13 10.254 1.105 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 13 9.560 3.303 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.088 0.301 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.841 1.471 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.489 1.331 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.176 0.284 -8.113 1.00 0.00 H new ATOM 193 N ALA A 14 6.965 1.534 -5.579 1.00 0.00 N ATOM 194 CA ALA A 14 5.524 1.599 -5.372 1.00 0.00 C ATOM 195 C ALA A 14 5.175 2.817 -4.519 1.00 0.00 C ATOM 196 O ALA A 14 4.272 3.581 -4.847 1.00 0.00 O ATOM 197 CB ALA A 14 5.034 0.324 -4.679 1.00 0.00 C ATOM 0 H ALA A 14 7.404 0.671 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 14 5.033 1.688 -6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.956 0.383 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.267 -0.541 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.530 0.221 -3.714 1.00 0.00 H new ATOM 203 N PHE A 15 5.894 2.993 -3.419 1.00 0.00 N ATOM 204 CA PHE A 15 5.634 4.118 -2.529 1.00 0.00 C ATOM 205 C PHE A 15 5.611 5.423 -3.321 1.00 0.00 C ATOM 206 O PHE A 15 4.716 6.251 -3.141 1.00 0.00 O ATOM 207 CB PHE A 15 6.729 4.191 -1.457 1.00 0.00 C ATOM 208 CG PHE A 15 6.613 5.493 -0.693 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.451 5.769 0.040 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.658 6.425 -0.725 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.336 6.976 0.742 1.00 0.00 C ATOM 212 CE2 PHE A 15 7.544 7.628 -0.024 1.00 0.00 C ATOM 213 CZ PHE A 15 6.383 7.905 0.709 1.00 0.00 C ATOM 0 H PHE A 15 6.653 2.380 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 15 4.664 3.973 -2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.637 3.348 -0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.712 4.118 -1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.644 5.051 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.553 6.214 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.441 7.190 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.351 8.345 -0.047 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.295 8.836 1.249 1.00 0.00 H new ATOM 223 N LYS A 16 6.597 5.606 -4.188 1.00 0.00 N ATOM 224 CA LYS A 16 6.680 6.816 -4.994 1.00 0.00 C ATOM 225 C LYS A 16 5.456 6.945 -5.893 1.00 0.00 C ATOM 226 O LYS A 16 4.979 8.051 -6.153 1.00 0.00 O ATOM 227 CB LYS A 16 7.943 6.785 -5.854 1.00 0.00 C ATOM 228 CG LYS A 16 8.087 8.113 -6.601 1.00 0.00 C ATOM 229 CD LYS A 16 9.379 8.103 -7.418 1.00 0.00 C ATOM 230 CE LYS A 16 9.529 9.437 -8.153 1.00 0.00 C ATOM 231 NZ LYS A 16 10.800 9.434 -8.933 1.00 0.00 N ATOM 0 H LYS A 16 7.348 4.935 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 16 6.718 7.674 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.818 6.612 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.891 5.960 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.231 8.268 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.099 8.941 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.235 7.938 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.363 7.281 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.681 9.595 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.530 10.260 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.903 10.340 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.604 9.302 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.781 8.657 -9.625 1.00 0.00 H new ATOM 245 N VAL A 17 4.950 5.808 -6.360 1.00 0.00 N ATOM 246 CA VAL A 17 3.772 5.808 -7.223 1.00 0.00 C ATOM 247 C VAL A 17 2.537 6.274 -6.454 1.00 0.00 C ATOM 248 O VAL A 17 1.730 7.051 -6.964 1.00 0.00 O ATOM 249 CB VAL A 17 3.536 4.408 -7.793 1.00 0.00 C ATOM 250 CG1 VAL A 17 2.234 4.390 -8.593 1.00 0.00 C ATOM 251 CG2 VAL A 17 4.707 4.030 -8.704 1.00 0.00 C ATOM 0 H VAL A 17 5.332 4.884 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 17 3.950 6.502 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 17 3.463 3.690 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.069 3.391 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.403 4.659 -7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.300 5.107 -9.412 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.543 3.033 -9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.780 4.749 -9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.633 4.039 -8.129 1.00 0.00 H new ATOM 261 N PHE A 18 2.399 5.793 -5.223 1.00 0.00 N ATOM 262 CA PHE A 18 1.263 6.172 -4.390 1.00 0.00 C ATOM 263 C PHE A 18 1.367 7.634 -3.976 1.00 0.00 C ATOM 264 O PHE A 18 0.370 8.356 -3.961 1.00 0.00 O ATOM 265 CB PHE A 18 1.208 5.282 -3.141 1.00 0.00 C ATOM 266 CG PHE A 18 0.601 3.945 -3.493 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.783 3.841 -3.669 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.414 2.819 -3.646 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.353 2.609 -3.996 1.00 0.00 C ATOM 270 CE2 PHE A 18 0.843 1.586 -3.975 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.542 1.483 -4.149 1.00 0.00 C ATOM 0 H PHE A 18 3.053 5.146 -4.783 1.00 0.00 H new ATOM 0 HA PHE A 18 0.350 6.037 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.211 5.142 -2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.617 5.767 -2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.410 4.713 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.482 2.901 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.421 2.527 -4.131 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.470 0.714 -4.095 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.984 0.531 -4.402 1.00 0.00 H new ATOM 281 N ASP A 19 2.579 8.062 -3.635 1.00 0.00 N ATOM 282 CA ASP A 19 2.798 9.440 -3.213 1.00 0.00 C ATOM 283 C ASP A 19 3.006 10.345 -4.421 1.00 0.00 C ATOM 284 O ASP A 19 4.007 11.056 -4.511 1.00 0.00 O ATOM 285 CB ASP A 19 4.019 9.520 -2.293 1.00 0.00 C ATOM 286 CG ASP A 19 4.015 10.840 -1.529 1.00 0.00 C ATOM 287 OD1 ASP A 19 3.056 11.584 -1.672 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.967 11.088 -0.810 1.00 0.00 O ATOM 0 H ASP A 19 3.417 7.480 -3.642 1.00 0.00 H new ATOM 0 HA ASP A 19 1.915 9.777 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.011 8.685 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.933 9.434 -2.881 1.00 0.00 H new ATOM 293 N LYS A 20 2.059 10.311 -5.349 1.00 0.00 N ATOM 294 CA LYS A 20 2.153 11.128 -6.552 1.00 0.00 C ATOM 295 C LYS A 20 2.313 12.599 -6.182 1.00 0.00 C ATOM 296 O LYS A 20 3.115 13.315 -6.783 1.00 0.00 O ATOM 297 CB LYS A 20 0.891 10.954 -7.403 1.00 0.00 C ATOM 298 CG LYS A 20 1.151 11.471 -8.819 1.00 0.00 C ATOM 299 CD LYS A 20 -0.076 11.208 -9.693 1.00 0.00 C ATOM 300 CE LYS A 20 0.172 11.756 -11.100 1.00 0.00 C ATOM 301 NZ LYS A 20 1.308 11.021 -11.725 1.00 0.00 N ATOM 0 H LYS A 20 1.222 9.731 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 20 3.024 10.805 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.604 9.903 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.060 11.497 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.370 12.539 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.025 10.977 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.280 10.138 -9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.955 11.682 -9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.726 11.646 -11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.396 12.822 -11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.288 11.163 -12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.206 11.380 -11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.223 10.006 -11.513 1.00 0.00 H new ATOM 315 N ASP A 21 1.551 13.043 -5.189 1.00 0.00 N ATOM 316 CA ASP A 21 1.624 14.432 -4.750 1.00 0.00 C ATOM 317 C ASP A 21 2.930 14.692 -4.005 1.00 0.00 C ATOM 318 O ASP A 21 3.266 15.837 -3.700 1.00 0.00 O ATOM 319 CB ASP A 21 0.437 14.746 -3.835 1.00 0.00 C ATOM 320 CG ASP A 21 0.547 13.954 -2.535 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.596 13.384 -2.297 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.421 13.931 -1.794 1.00 0.00 O ATOM 0 H ASP A 21 0.882 12.468 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 21 1.590 15.077 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.409 15.814 -3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.496 14.500 -4.341 1.00 0.00 H new ATOM 327 N GLN A 22 3.658 13.618 -3.710 1.00 0.00 N ATOM 328 CA GLN A 22 4.925 13.741 -2.994 1.00 0.00 C ATOM 329 C GLN A 22 4.748 14.568 -1.726 1.00 0.00 C ATOM 330 O GLN A 22 5.630 15.339 -1.350 1.00 0.00 O ATOM 331 CB GLN A 22 5.966 14.405 -3.896 1.00 0.00 C ATOM 332 CG GLN A 22 6.249 13.503 -5.099 1.00 0.00 C ATOM 333 CD GLN A 22 6.920 12.213 -4.642 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.946 12.254 -3.964 1.00 0.00 O ATOM 335 NE2 GLN A 22 6.397 11.062 -4.969 1.00 0.00 N ATOM 0 H GLN A 22 3.396 12.662 -3.952 1.00 0.00 H new ATOM 0 HA GLN A 22 5.264 12.743 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.604 15.376 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.885 14.584 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.318 13.274 -5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.891 14.023 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.546 11.030 -5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.839 10.195 -4.662 1.00 0.00 H new ATOM 344 N ASN A 23 3.604 14.403 -1.069 1.00 0.00 N ATOM 345 CA ASN A 23 3.322 15.140 0.160 1.00 0.00 C ATOM 346 C ASN A 23 3.838 14.374 1.372 1.00 0.00 C ATOM 347 O ASN A 23 3.848 14.895 2.487 1.00 0.00 O ATOM 348 CB ASN A 23 1.816 15.366 0.298 1.00 0.00 C ATOM 349 CG ASN A 23 1.098 14.029 0.440 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.723 12.976 0.335 1.00 0.00 O ATOM 351 ND2 ASN A 23 -0.186 14.009 0.673 1.00 0.00 N ATOM 0 H ASN A 23 2.861 13.770 -1.364 1.00 0.00 H new ATOM 0 HA ASN A 23 3.830 16.103 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.612 15.991 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.439 15.900 -0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.673 13.118 0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.702 14.884 0.760 1.00 0.00 H new ATOM 358 N GLY A 24 4.271 13.137 1.146 1.00 0.00 N ATOM 359 CA GLY A 24 4.790 12.309 2.231 1.00 0.00 C ATOM 360 C GLY A 24 3.657 11.617 2.983 1.00 0.00 C ATOM 361 O GLY A 24 3.854 11.101 4.083 1.00 0.00 O ATOM 0 H GLY A 24 4.273 12.689 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.473 11.561 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.365 12.927 2.921 1.00 0.00 H new ATOM 365 N TYR A 25 2.471 11.612 2.386 1.00 0.00 N ATOM 366 CA TYR A 25 1.308 10.981 3.008 1.00 0.00 C ATOM 367 C TYR A 25 0.321 10.518 1.946 1.00 0.00 C ATOM 368 O TYR A 25 -0.188 11.325 1.170 1.00 0.00 O ATOM 369 CB TYR A 25 0.624 11.966 3.955 1.00 0.00 C ATOM 370 CG TYR A 25 1.548 12.278 5.108 1.00 0.00 C ATOM 371 CD1 TYR A 25 1.515 11.489 6.261 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.435 13.356 5.023 1.00 0.00 C ATOM 373 CE1 TYR A 25 2.371 11.778 7.332 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.291 13.646 6.092 1.00 0.00 C ATOM 375 CZ TYR A 25 3.258 12.857 7.247 1.00 0.00 C ATOM 376 OH TYR A 25 4.102 13.142 8.302 1.00 0.00 O ATOM 0 H TYR A 25 2.287 12.035 1.476 1.00 0.00 H new ATOM 0 HA TYR A 25 1.646 10.113 3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.368 12.882 3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.309 11.542 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.830 10.657 6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.460 13.965 4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.346 11.168 8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.976 14.478 6.025 1.00 0.00 H new ATOM 0 HH TYR A 25 4.653 13.921 8.079 1.00 0.00 H new ATOM 386 N ILE A 26 0.049 9.216 1.922 1.00 0.00 N ATOM 387 CA ILE A 26 -0.880 8.657 0.943 1.00 0.00 C ATOM 388 C ILE A 26 -2.315 8.833 1.419 1.00 0.00 C ATOM 389 O ILE A 26 -2.609 8.669 2.609 1.00 0.00 O ATOM 390 CB ILE A 26 -0.590 7.175 0.731 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.857 7.001 0.271 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.535 6.613 -0.330 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.233 5.519 0.317 1.00 0.00 C ATOM 0 H ILE A 26 0.454 8.533 2.563 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.750 9.187 -0.001 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.741 6.639 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.976 7.386 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.525 7.577 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.326 5.554 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.567 6.736 -0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.388 7.148 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.265 5.395 -0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.130 5.149 1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.573 4.955 -0.342 1.00 0.00 H new ATOM 405 N SER A 27 -3.204 9.178 0.485 1.00 0.00 N ATOM 406 CA SER A 27 -4.619 9.388 0.808 1.00 0.00 C ATOM 407 C SER A 27 -5.497 8.423 0.023 1.00 0.00 C ATOM 408 O SER A 27 -5.113 7.938 -1.041 1.00 0.00 O ATOM 409 CB SER A 27 -5.017 10.827 0.478 1.00 0.00 C ATOM 410 OG SER A 27 -6.293 11.095 1.041 1.00 0.00 O ATOM 0 H SER A 27 -2.971 9.318 -0.498 1.00 0.00 H new ATOM 0 HA SER A 27 -4.762 9.204 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.277 11.522 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.044 10.972 -0.602 1.00 0.00 H new ATOM 0 HG SER A 27 -6.554 12.017 0.835 1.00 0.00 H new ATOM 416 N ALA A 28 -6.677 8.143 0.563 1.00 0.00 N ATOM 417 CA ALA A 28 -7.604 7.227 -0.090 1.00 0.00 C ATOM 418 C ALA A 28 -7.754 7.582 -1.565 1.00 0.00 C ATOM 419 O ALA A 28 -7.796 6.699 -2.422 1.00 0.00 O ATOM 420 CB ALA A 28 -8.975 7.298 0.593 1.00 0.00 C ATOM 0 H ALA A 28 -7.013 8.533 1.444 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.207 6.215 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.663 6.611 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.874 7.020 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.364 8.314 0.523 1.00 0.00 H new ATOM 426 N SER A 29 -7.835 8.876 -1.855 1.00 0.00 N ATOM 427 CA SER A 29 -7.983 9.328 -3.234 1.00 0.00 C ATOM 428 C SER A 29 -6.811 8.845 -4.085 1.00 0.00 C ATOM 429 O SER A 29 -7.002 8.327 -5.188 1.00 0.00 O ATOM 430 CB SER A 29 -8.046 10.855 -3.272 1.00 0.00 C ATOM 431 OG SER A 29 -7.838 11.301 -4.607 1.00 0.00 O ATOM 0 H SER A 29 -7.801 9.624 -1.162 1.00 0.00 H new ATOM 0 HA SER A 29 -8.906 8.913 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.014 11.200 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.288 11.278 -2.613 1.00 0.00 H new ATOM 0 HG SER A 29 -7.879 12.280 -4.635 1.00 0.00 H new ATOM 437 N GLU A 30 -5.602 9.006 -3.564 1.00 0.00 N ATOM 438 CA GLU A 30 -4.410 8.572 -4.282 1.00 0.00 C ATOM 439 C GLU A 30 -4.389 7.053 -4.411 1.00 0.00 C ATOM 440 O GLU A 30 -4.059 6.515 -5.468 1.00 0.00 O ATOM 441 CB GLU A 30 -3.156 9.044 -3.538 1.00 0.00 C ATOM 442 CG GLU A 30 -3.029 10.563 -3.665 1.00 0.00 C ATOM 443 CD GLU A 30 -1.939 11.072 -2.732 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.907 10.625 -1.597 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.152 11.901 -3.161 1.00 0.00 O ATOM 0 H GLU A 30 -5.421 9.430 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.426 9.009 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.215 8.760 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.271 8.559 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.793 10.832 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.979 11.038 -3.421 1.00 0.00 H new ATOM 452 N LEU A 31 -4.749 6.366 -3.334 1.00 0.00 N ATOM 453 CA LEU A 31 -4.754 4.911 -3.343 1.00 0.00 C ATOM 454 C LEU A 31 -5.767 4.388 -4.362 1.00 0.00 C ATOM 455 O LEU A 31 -5.477 3.478 -5.146 1.00 0.00 O ATOM 456 CB LEU A 31 -5.101 4.390 -1.937 1.00 0.00 C ATOM 457 CG LEU A 31 -4.488 2.996 -1.732 1.00 0.00 C ATOM 458 CD1 LEU A 31 -4.690 2.553 -0.285 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.147 1.985 -2.689 1.00 0.00 C ATOM 0 H LEU A 31 -5.038 6.789 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.764 4.554 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.723 5.078 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.183 4.343 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.420 3.040 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.254 1.564 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.204 3.263 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.756 2.515 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.707 1.000 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.217 1.939 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.984 2.300 -3.720 1.00 0.00 H new ATOM 471 N ARG A 32 -6.953 4.975 -4.356 1.00 0.00 N ATOM 472 CA ARG A 32 -7.990 4.565 -5.287 1.00 0.00 C ATOM 473 C ARG A 32 -7.524 4.767 -6.724 1.00 0.00 C ATOM 474 O ARG A 32 -7.740 3.907 -7.580 1.00 0.00 O ATOM 475 CB ARG A 32 -9.271 5.384 -5.038 1.00 0.00 C ATOM 476 CG ARG A 32 -10.194 5.306 -6.263 1.00 0.00 C ATOM 477 CD ARG A 32 -11.535 5.934 -5.941 1.00 0.00 C ATOM 478 NE ARG A 32 -11.365 7.342 -5.591 1.00 0.00 N ATOM 479 CZ ARG A 32 -11.348 8.288 -6.525 1.00 0.00 C ATOM 480 NH1 ARG A 32 -11.487 7.966 -7.783 1.00 0.00 N ATOM 481 NH2 ARG A 32 -11.196 9.538 -6.185 1.00 0.00 N ATOM 0 H ARG A 32 -7.219 5.729 -3.723 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.200 3.507 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.789 5.004 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.013 6.423 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.736 5.820 -7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.332 4.266 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.202 5.843 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.005 5.401 -5.114 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.257 7.604 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.609 6.989 -8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.474 8.692 -8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.090 9.790 -5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.183 10.264 -6.902 1.00 0.00 H new ATOM 495 N HIS A 33 -6.906 5.912 -6.992 1.00 0.00 N ATOM 496 CA HIS A 33 -6.451 6.213 -8.334 1.00 0.00 C ATOM 497 C HIS A 33 -5.468 5.149 -8.808 1.00 0.00 C ATOM 498 O HIS A 33 -5.480 4.745 -9.970 1.00 0.00 O ATOM 499 CB HIS A 33 -5.802 7.620 -8.354 1.00 0.00 C ATOM 500 CG HIS A 33 -4.313 7.513 -8.555 1.00 0.00 C ATOM 501 ND1 HIS A 33 -3.410 7.776 -7.543 1.00 0.00 N ATOM 502 CD2 HIS A 33 -3.568 7.118 -9.633 1.00 0.00 C ATOM 503 CE1 HIS A 33 -2.183 7.536 -8.029 1.00 0.00 C ATOM 504 NE2 HIS A 33 -2.220 7.133 -9.302 1.00 0.00 N ATOM 0 H HIS A 33 -6.712 6.637 -6.302 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.301 6.211 -9.017 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.240 8.218 -9.153 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.012 8.137 -7.418 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.968 6.837 -10.596 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.273 7.654 -7.459 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.430 6.890 -9.900 1.00 0.00 H new ATOM 512 N VAL A 34 -4.598 4.730 -7.900 1.00 0.00 N ATOM 513 CA VAL A 34 -3.594 3.730 -8.237 1.00 0.00 C ATOM 514 C VAL A 34 -4.274 2.413 -8.593 1.00 0.00 C ATOM 515 O VAL A 34 -3.882 1.734 -9.547 1.00 0.00 O ATOM 516 CB VAL A 34 -2.636 3.522 -7.053 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.791 2.263 -7.281 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.704 4.735 -6.912 1.00 0.00 C ATOM 0 H VAL A 34 -4.566 5.062 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.021 4.080 -9.096 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.224 3.408 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.114 2.121 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.446 1.396 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.211 2.375 -8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.029 4.579 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.123 4.856 -7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.298 5.632 -6.739 1.00 0.00 H new ATOM 528 N MET A 35 -5.291 2.055 -7.816 1.00 0.00 N ATOM 529 CA MET A 35 -6.001 0.808 -8.055 1.00 0.00 C ATOM 530 C MET A 35 -6.667 0.827 -9.423 1.00 0.00 C ATOM 531 O MET A 35 -6.657 -0.173 -10.142 1.00 0.00 O ATOM 532 CB MET A 35 -7.059 0.605 -6.964 1.00 0.00 C ATOM 533 CG MET A 35 -6.379 0.188 -5.657 1.00 0.00 C ATOM 534 SD MET A 35 -5.700 -1.482 -5.827 1.00 0.00 S ATOM 535 CE MET A 35 -4.919 -1.575 -4.199 1.00 0.00 C ATOM 0 H MET A 35 -5.637 2.602 -7.028 1.00 0.00 H new ATOM 0 HA MET A 35 -5.287 -0.015 -8.029 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.622 1.526 -6.814 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.773 -0.158 -7.274 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.583 0.891 -5.410 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.097 0.217 -4.837 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.429 -2.542 -4.085 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.179 -0.780 -4.105 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.677 -1.459 -3.425 1.00 0.00 H new ATOM 545 N ILE A 36 -7.246 1.965 -9.779 1.00 0.00 N ATOM 546 CA ILE A 36 -7.904 2.097 -11.074 1.00 0.00 C ATOM 547 C ILE A 36 -6.889 2.010 -12.205 1.00 0.00 C ATOM 548 O ILE A 36 -7.122 1.336 -13.208 1.00 0.00 O ATOM 549 CB ILE A 36 -8.649 3.436 -11.144 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.794 3.441 -10.120 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.229 3.636 -12.548 1.00 0.00 C ATOM 552 CD1 ILE A 36 -10.792 2.306 -10.413 1.00 0.00 C ATOM 0 H ILE A 36 -7.275 2.803 -9.198 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.616 1.280 -11.186 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.952 4.244 -10.921 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.390 3.326 -9.114 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.309 4.401 -10.148 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.757 4.589 -12.591 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.421 3.636 -13.279 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.923 2.826 -12.774 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.595 2.328 -9.676 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.211 2.439 -11.410 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.277 1.347 -10.361 1.00 0.00 H new ATOM 564 N ASN A 37 -5.770 2.698 -12.034 1.00 0.00 N ATOM 565 CA ASN A 37 -4.720 2.698 -13.047 1.00 0.00 C ATOM 566 C ASN A 37 -4.219 1.277 -13.278 1.00 0.00 C ATOM 567 O ASN A 37 -3.745 0.942 -14.365 1.00 0.00 O ATOM 568 CB ASN A 37 -3.562 3.588 -12.606 1.00 0.00 C ATOM 569 CG ASN A 37 -2.456 3.561 -13.655 1.00 0.00 C ATOM 570 OD1 ASN A 37 -1.396 2.978 -13.427 1.00 0.00 O ATOM 571 ND2 ASN A 37 -2.641 4.160 -14.799 1.00 0.00 N ATOM 0 H ASN A 37 -5.564 3.261 -11.209 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.132 3.088 -13.978 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.912 4.610 -12.461 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.174 3.245 -11.647 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.907 4.146 -15.507 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.520 4.642 -14.986 1.00 0.00 H new ATOM 578 N LEU A 38 -4.336 0.442 -12.248 1.00 0.00 N ATOM 579 CA LEU A 38 -3.902 -0.948 -12.353 1.00 0.00 C ATOM 580 C LEU A 38 -4.943 -1.790 -13.079 1.00 0.00 C ATOM 581 O LEU A 38 -4.789 -3.005 -13.212 1.00 0.00 O ATOM 582 CB LEU A 38 -3.654 -1.526 -10.959 1.00 0.00 C ATOM 583 CG LEU A 38 -2.382 -0.902 -10.367 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.288 -1.253 -8.880 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.136 -1.441 -11.105 1.00 0.00 C ATOM 0 H LEU A 38 -4.723 0.700 -11.340 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.975 -0.972 -12.927 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.507 -1.323 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.548 -2.609 -11.016 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.425 0.181 -10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.385 -0.811 -8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.162 -0.862 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.250 -2.336 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.238 -0.993 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.088 -2.524 -10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.201 -1.186 -12.163 1.00 0.00 H new ATOM 597 N GLY A 39 -5.999 -1.139 -13.550 1.00 0.00 N ATOM 598 CA GLY A 39 -7.058 -1.838 -14.266 1.00 0.00 C ATOM 599 C GLY A 39 -7.941 -2.619 -13.306 1.00 0.00 C ATOM 600 O GLY A 39 -8.577 -3.597 -13.693 1.00 0.00 O ATOM 0 H GLY A 39 -6.145 -0.134 -13.450 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.663 -1.120 -14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.620 -2.517 -14.998 1.00 0.00 H new ATOM 604 N GLU A 40 -7.978 -2.181 -12.050 1.00 0.00 N ATOM 605 CA GLU A 40 -8.790 -2.848 -11.031 1.00 0.00 C ATOM 606 C GLU A 40 -9.860 -1.905 -10.504 1.00 0.00 C ATOM 607 O GLU A 40 -9.588 -0.738 -10.227 1.00 0.00 O ATOM 608 CB GLU A 40 -7.901 -3.304 -9.878 1.00 0.00 C ATOM 609 CG GLU A 40 -6.968 -4.418 -10.361 1.00 0.00 C ATOM 610 CD GLU A 40 -6.033 -4.841 -9.233 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.134 -4.270 -8.161 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.229 -5.731 -9.460 1.00 0.00 O ATOM 0 H GLU A 40 -7.458 -1.371 -11.713 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.273 -3.714 -11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.317 -2.464 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.515 -3.662 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.554 -5.273 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.387 -4.072 -11.216 1.00 0.00 H new ATOM 619 N LYS A 41 -11.082 -2.418 -10.369 1.00 0.00 N ATOM 620 CA LYS A 41 -12.202 -1.614 -9.869 1.00 0.00 C ATOM 621 C LYS A 41 -12.742 -2.210 -8.577 1.00 0.00 C ATOM 622 O LYS A 41 -13.480 -3.192 -8.596 1.00 0.00 O ATOM 623 CB LYS A 41 -13.314 -1.568 -10.914 1.00 0.00 C ATOM 624 CG LYS A 41 -12.841 -0.766 -12.127 1.00 0.00 C ATOM 625 CD LYS A 41 -13.932 -0.768 -13.198 1.00 0.00 C ATOM 626 CE LYS A 41 -13.443 -0.004 -14.430 1.00 0.00 C ATOM 627 NZ LYS A 41 -14.464 -0.097 -15.510 1.00 0.00 N ATOM 0 H LYS A 41 -11.324 -3.382 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.847 -0.602 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.585 -2.579 -11.217 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.208 -1.112 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.609 0.257 -11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.924 -1.198 -12.527 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.187 -1.792 -13.470 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.839 -0.307 -12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.262 1.040 -14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.495 -0.417 -14.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.132 0.422 -16.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.616 -1.095 -15.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.359 0.317 -15.179 1.00 0.00 H new ATOM 641 N LEU A 42 -12.365 -1.608 -7.454 1.00 0.00 N ATOM 642 CA LEU A 42 -12.804 -2.074 -6.138 1.00 0.00 C ATOM 643 C LEU A 42 -13.787 -1.095 -5.527 1.00 0.00 C ATOM 644 O LEU A 42 -14.290 -0.204 -6.212 1.00 0.00 O ATOM 645 CB LEU A 42 -11.609 -2.247 -5.208 1.00 0.00 C ATOM 646 CG LEU A 42 -10.461 -2.954 -5.964 1.00 0.00 C ATOM 647 CD1 LEU A 42 -9.494 -1.907 -6.521 1.00 0.00 C ATOM 648 CD2 LEU A 42 -9.707 -3.880 -5.006 1.00 0.00 C ATOM 0 H LEU A 42 -11.753 -0.792 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.297 -3.037 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.274 -1.275 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.897 -2.832 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.878 -3.540 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.685 -2.406 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.027 -1.247 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.081 -1.321 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.898 -4.377 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.293 -3.295 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.393 -4.628 -4.608 1.00 0.00 H new ATOM 660 N THR A 43 -14.057 -1.264 -4.235 1.00 0.00 N ATOM 661 CA THR A 43 -14.993 -0.379 -3.537 1.00 0.00 C ATOM 662 C THR A 43 -14.248 0.492 -2.533 1.00 0.00 C ATOM 663 O THR A 43 -13.297 0.055 -1.917 1.00 0.00 O ATOM 664 CB THR A 43 -16.054 -1.213 -2.812 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.222 -2.452 -3.492 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.380 -0.458 -2.792 1.00 0.00 C ATOM 0 H THR A 43 -13.648 -1.996 -3.654 1.00 0.00 H new ATOM 0 HA THR A 43 -15.479 0.265 -4.270 1.00 0.00 H new ATOM 0 HB THR A 43 -15.732 -1.397 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.899 -2.989 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.131 -1.055 -2.275 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.250 0.491 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.707 -0.270 -3.815 1.00 0.00 H new ATOM 674 N ASP A 44 -14.702 1.718 -2.374 1.00 0.00 N ATOM 675 CA ASP A 44 -14.065 2.648 -1.442 1.00 0.00 C ATOM 676 C ASP A 44 -13.918 2.017 -0.062 1.00 0.00 C ATOM 677 O ASP A 44 -13.052 2.406 0.724 1.00 0.00 O ATOM 678 CB ASP A 44 -14.899 3.928 -1.329 1.00 0.00 C ATOM 679 CG ASP A 44 -14.779 4.747 -2.610 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.893 4.456 -3.396 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.573 5.656 -2.785 1.00 0.00 O ATOM 0 H ASP A 44 -15.506 2.100 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.073 2.888 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.943 3.676 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.560 4.518 -0.478 1.00 0.00 H new ATOM 686 N GLU A 45 -14.766 1.039 0.225 1.00 0.00 N ATOM 687 CA GLU A 45 -14.724 0.360 1.514 1.00 0.00 C ATOM 688 C GLU A 45 -13.379 -0.320 1.726 1.00 0.00 C ATOM 689 O GLU A 45 -12.824 -0.289 2.820 1.00 0.00 O ATOM 690 CB GLU A 45 -15.832 -0.693 1.583 1.00 0.00 C ATOM 691 CG GLU A 45 -17.196 -0.003 1.629 1.00 0.00 C ATOM 692 CD GLU A 45 -18.310 -1.040 1.548 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.994 -2.215 1.444 1.00 0.00 O ATOM 694 OE2 GLU A 45 -19.464 -0.646 1.591 1.00 0.00 O ATOM 0 H GLU A 45 -15.487 0.699 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.870 1.106 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.776 -1.351 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.699 -1.317 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.290 0.572 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.284 0.702 0.802 1.00 0.00 H new ATOM 701 N GLU A 46 -12.851 -0.928 0.675 1.00 0.00 N ATOM 702 CA GLU A 46 -11.568 -1.613 0.768 1.00 0.00 C ATOM 703 C GLU A 46 -10.445 -0.631 1.118 1.00 0.00 C ATOM 704 O GLU A 46 -9.558 -0.938 1.917 1.00 0.00 O ATOM 705 CB GLU A 46 -11.265 -2.320 -0.565 1.00 0.00 C ATOM 706 CG GLU A 46 -10.747 -1.304 -1.604 1.00 0.00 C ATOM 707 CD GLU A 46 -9.248 -1.099 -1.441 1.00 0.00 C ATOM 708 OE1 GLU A 46 -8.683 -1.720 -0.565 1.00 0.00 O ATOM 709 OE2 GLU A 46 -8.691 -0.312 -2.186 1.00 0.00 O ATOM 0 H GLU A 46 -13.286 -0.962 -0.247 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.624 -2.354 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.522 -3.102 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.166 -2.806 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.965 -1.660 -2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.266 -0.353 -1.483 1.00 0.00 H new ATOM 716 N VAL A 47 -10.490 0.548 0.506 1.00 0.00 N ATOM 717 CA VAL A 47 -9.475 1.558 0.743 1.00 0.00 C ATOM 718 C VAL A 47 -9.520 2.012 2.193 1.00 0.00 C ATOM 719 O VAL A 47 -8.488 2.094 2.860 1.00 0.00 O ATOM 720 CB VAL A 47 -9.704 2.755 -0.184 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.784 3.905 0.225 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.390 2.353 -1.629 1.00 0.00 C ATOM 0 H VAL A 47 -11.217 0.823 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.495 1.129 0.536 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.744 3.072 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.949 4.756 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.001 4.197 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.745 3.584 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.553 3.206 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.350 2.034 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.043 1.533 -1.929 1.00 0.00 H new ATOM 732 N GLU A 48 -10.723 2.312 2.674 1.00 0.00 N ATOM 733 CA GLU A 48 -10.887 2.767 4.049 1.00 0.00 C ATOM 734 C GLU A 48 -10.396 1.707 5.026 1.00 0.00 C ATOM 735 O GLU A 48 -9.705 2.015 5.997 1.00 0.00 O ATOM 736 CB GLU A 48 -12.360 3.074 4.326 1.00 0.00 C ATOM 737 CG GLU A 48 -12.795 4.288 3.501 1.00 0.00 C ATOM 738 CD GLU A 48 -14.264 4.598 3.767 1.00 0.00 C ATOM 739 OE1 GLU A 48 -14.867 3.885 4.551 1.00 0.00 O ATOM 740 OE2 GLU A 48 -14.763 5.546 3.183 1.00 0.00 O ATOM 0 H GLU A 48 -11.589 2.249 2.139 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.295 3.672 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.976 2.211 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.507 3.271 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.180 5.151 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.642 4.091 2.440 1.00 0.00 H new ATOM 747 N GLN A 49 -10.757 0.456 4.761 1.00 0.00 N ATOM 748 CA GLN A 49 -10.349 -0.644 5.625 1.00 0.00 C ATOM 749 C GLN A 49 -8.831 -0.741 5.689 1.00 0.00 C ATOM 750 O GLN A 49 -8.261 -1.071 6.729 1.00 0.00 O ATOM 751 CB GLN A 49 -10.928 -1.964 5.106 1.00 0.00 C ATOM 752 CG GLN A 49 -12.431 -2.012 5.385 1.00 0.00 C ATOM 753 CD GLN A 49 -13.032 -3.279 4.788 1.00 0.00 C ATOM 754 OE1 GLN A 49 -12.321 -4.001 3.965 1.00 0.00 O flip ATOM 755 NE2 GLN A 49 -14.176 -3.623 5.081 1.00 0.00 N flip ATOM 0 H GLN A 49 -11.327 0.180 3.961 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.731 -0.452 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.744 -2.057 4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.431 -2.805 5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.611 -1.986 6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.916 -1.134 4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.730 -3.057 5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.571 -4.474 4.681 1.00 0.00 H new ATOM 764 N MET A 50 -8.176 -0.458 4.575 1.00 0.00 N ATOM 765 CA MET A 50 -6.718 -0.512 4.533 1.00 0.00 C ATOM 766 C MET A 50 -6.102 0.645 5.318 1.00 0.00 C ATOM 767 O MET A 50 -5.130 0.459 6.052 1.00 0.00 O ATOM 768 CB MET A 50 -6.247 -0.429 3.080 1.00 0.00 C ATOM 769 CG MET A 50 -6.574 -1.734 2.360 1.00 0.00 C ATOM 770 SD MET A 50 -6.321 -1.516 0.580 1.00 0.00 S ATOM 771 CE MET A 50 -4.531 -1.342 0.609 1.00 0.00 C ATOM 0 H MET A 50 -8.621 -0.191 3.697 1.00 0.00 H new ATOM 0 HA MET A 50 -6.399 -1.452 4.984 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.733 0.407 2.577 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.174 -0.242 3.045 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.939 -2.538 2.733 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.606 -2.024 2.559 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.154 -1.285 -0.412 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.263 -0.433 1.146 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.090 -2.203 1.110 1.00 0.00 H new ATOM 781 N ILE A 51 -6.672 1.836 5.158 1.00 0.00 N ATOM 782 CA ILE A 51 -6.161 3.010 5.856 1.00 0.00 C ATOM 783 C ILE A 51 -6.410 2.908 7.355 1.00 0.00 C ATOM 784 O ILE A 51 -5.511 3.143 8.156 1.00 0.00 O ATOM 785 CB ILE A 51 -6.832 4.273 5.311 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.393 4.497 3.863 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.423 5.484 6.159 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.232 5.610 3.243 1.00 0.00 C ATOM 0 H ILE A 51 -7.478 2.012 4.559 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.085 3.063 5.687 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.915 4.152 5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.336 4.762 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.510 3.577 3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.903 6.381 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.735 5.327 7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.340 5.606 6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.919 5.770 2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.284 5.327 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.093 6.530 3.811 1.00 0.00 H new ATOM 800 N LYS A 52 -7.633 2.561 7.726 1.00 0.00 N ATOM 801 CA LYS A 52 -7.984 2.444 9.134 1.00 0.00 C ATOM 802 C LYS A 52 -7.165 1.341 9.800 1.00 0.00 C ATOM 803 O LYS A 52 -6.677 1.502 10.920 1.00 0.00 O ATOM 804 CB LYS A 52 -9.488 2.147 9.270 1.00 0.00 C ATOM 805 CG LYS A 52 -9.746 0.648 9.109 1.00 0.00 C ATOM 806 CD LYS A 52 -11.241 0.383 9.023 1.00 0.00 C ATOM 807 CE LYS A 52 -11.909 0.784 10.339 1.00 0.00 C ATOM 808 NZ LYS A 52 -13.220 0.095 10.454 1.00 0.00 N ATOM 0 H LYS A 52 -8.394 2.357 7.078 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.759 3.386 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.846 2.483 10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.046 2.703 8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.251 0.280 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.320 0.105 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.674 0.947 8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.422 -0.672 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.270 0.517 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.049 1.864 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.677 0.366 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.828 0.371 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.074 -0.935 10.438 1.00 0.00 H new ATOM 822 N GLU A 53 -7.038 0.211 9.105 1.00 0.00 N ATOM 823 CA GLU A 53 -6.302 -0.912 9.637 1.00 0.00 C ATOM 824 C GLU A 53 -4.822 -0.575 9.719 1.00 0.00 C ATOM 825 O GLU A 53 -4.142 -0.954 10.672 1.00 0.00 O ATOM 826 CB GLU A 53 -6.515 -2.147 8.747 1.00 0.00 C ATOM 827 CG GLU A 53 -5.560 -3.261 9.164 1.00 0.00 C ATOM 828 CD GLU A 53 -5.756 -3.588 10.645 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.861 -3.407 11.131 1.00 0.00 O ATOM 830 OE2 GLU A 53 -4.800 -4.019 11.272 1.00 0.00 O ATOM 0 H GLU A 53 -7.436 0.059 8.178 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.667 -1.132 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.546 -2.491 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.348 -1.886 7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.739 -4.150 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.530 -2.955 8.984 1.00 0.00 H new ATOM 837 N ALA A 54 -4.321 0.107 8.696 1.00 0.00 N ATOM 838 CA ALA A 54 -2.911 0.460 8.652 1.00 0.00 C ATOM 839 C ALA A 54 -2.603 1.618 9.586 1.00 0.00 C ATOM 840 O ALA A 54 -1.659 1.562 10.373 1.00 0.00 O ATOM 841 CB ALA A 54 -2.518 0.846 7.226 1.00 0.00 C ATOM 0 H ALA A 54 -4.866 0.423 7.894 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.337 -0.408 8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.461 1.110 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.699 0.004 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.113 1.700 6.903 1.00 0.00 H new ATOM 847 N ASP A 55 -3.411 2.667 9.493 1.00 0.00 N ATOM 848 CA ASP A 55 -3.220 3.839 10.330 1.00 0.00 C ATOM 849 C ASP A 55 -3.582 3.527 11.776 1.00 0.00 C ATOM 850 O ASP A 55 -4.592 2.903 12.064 1.00 0.00 O ATOM 851 CB ASP A 55 -4.099 4.989 9.836 1.00 0.00 C ATOM 852 CG ASP A 55 -3.696 5.385 8.419 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.332 4.501 7.660 1.00 0.00 O ATOM 854 OD2 ASP A 55 -3.753 6.565 8.118 1.00 0.00 O ATOM 0 H ASP A 55 -4.200 2.728 8.849 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.170 4.128 10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.147 4.690 9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.000 5.845 10.503 1.00 0.00 H new ATOM 859 N LEU A 56 -2.744 3.966 12.674 1.00 0.00 N ATOM 860 CA LEU A 56 -2.949 3.750 14.109 1.00 0.00 C ATOM 861 C LEU A 56 -3.423 5.039 14.774 1.00 0.00 C ATOM 862 O LEU A 56 -3.706 5.058 15.971 1.00 0.00 O ATOM 863 CB LEU A 56 -1.636 3.263 14.768 1.00 0.00 C ATOM 864 CG LEU A 56 -0.583 4.398 14.828 1.00 0.00 C ATOM 865 CD1 LEU A 56 -0.480 5.099 13.462 1.00 0.00 C ATOM 866 CD2 LEU A 56 -0.945 5.426 15.926 1.00 0.00 C ATOM 0 H LEU A 56 -1.895 4.485 12.448 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.714 2.985 14.242 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.844 2.903 15.776 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.234 2.421 14.205 1.00 0.00 H new ATOM 0 HG LEU A 56 0.382 3.956 15.075 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.263 5.895 13.516 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.182 4.375 12.703 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.448 5.524 13.197 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.192 6.213 15.950 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.920 5.863 15.708 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.979 4.927 16.895 1.00 0.00 H new ATOM 878 N ASP A 57 -3.480 6.127 14.004 1.00 0.00 N ATOM 879 CA ASP A 57 -3.889 7.430 14.534 1.00 0.00 C ATOM 880 C ASP A 57 -5.179 7.867 13.867 1.00 0.00 C ATOM 881 O ASP A 57 -5.733 8.912 14.199 1.00 0.00 O ATOM 882 CB ASP A 57 -2.794 8.484 14.284 1.00 0.00 C ATOM 883 CG ASP A 57 -2.272 8.374 12.857 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.735 7.500 12.144 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.416 9.166 12.500 1.00 0.00 O ATOM 0 H ASP A 57 -3.248 6.132 13.011 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.045 7.337 15.609 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.195 9.483 14.456 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.976 8.343 14.990 1.00 0.00 H new ATOM 890 N GLY A 58 -5.652 7.059 12.924 1.00 0.00 N ATOM 891 CA GLY A 58 -6.886 7.372 12.214 1.00 0.00 C ATOM 892 C GLY A 58 -6.893 8.823 11.750 1.00 0.00 C ATOM 893 O GLY A 58 -7.814 9.576 12.060 1.00 0.00 O ATOM 0 H GLY A 58 -5.204 6.189 12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.993 6.711 11.354 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.741 7.190 12.865 1.00 0.00 H new ATOM 897 N ASP A 59 -5.857 9.211 11.006 1.00 0.00 N ATOM 898 CA ASP A 59 -5.749 10.579 10.501 1.00 0.00 C ATOM 899 C ASP A 59 -5.997 10.613 8.997 1.00 0.00 C ATOM 900 O ASP A 59 -5.794 11.639 8.350 1.00 0.00 O ATOM 901 CB ASP A 59 -4.360 11.134 10.806 1.00 0.00 C ATOM 902 CG ASP A 59 -3.284 10.165 10.320 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.579 8.984 10.190 1.00 0.00 O ATOM 904 OD2 ASP A 59 -2.175 10.616 10.089 1.00 0.00 O ATOM 0 H ASP A 59 -5.084 8.600 10.741 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.502 11.194 10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.233 12.102 10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.254 11.298 11.878 1.00 0.00 H new ATOM 909 N GLY A 60 -6.435 9.485 8.447 1.00 0.00 N ATOM 910 CA GLY A 60 -6.709 9.401 7.019 1.00 0.00 C ATOM 911 C GLY A 60 -5.438 9.624 6.211 1.00 0.00 C ATOM 912 O GLY A 60 -5.490 9.814 4.999 1.00 0.00 O ATOM 0 H GLY A 60 -6.606 8.623 8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.130 8.424 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.456 10.145 6.743 1.00 0.00 H new ATOM 916 N GLN A 61 -4.295 9.604 6.894 1.00 0.00 N ATOM 917 CA GLN A 61 -3.004 9.809 6.232 1.00 0.00 C ATOM 918 C GLN A 61 -2.061 8.654 6.524 1.00 0.00 C ATOM 919 O GLN A 61 -1.592 8.494 7.650 1.00 0.00 O ATOM 920 CB GLN A 61 -2.378 11.118 6.718 1.00 0.00 C ATOM 921 CG GLN A 61 -3.154 12.296 6.148 1.00 0.00 C ATOM 922 CD GLN A 61 -2.625 13.605 6.723 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.740 13.846 7.924 1.00 0.00 O ATOM 924 NE2 GLN A 61 -2.047 14.471 5.934 1.00 0.00 N ATOM 0 H GLN A 61 -4.234 9.449 7.900 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.170 9.859 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.388 11.156 7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.335 11.172 6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.067 12.306 5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.213 12.190 6.382 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.952 14.270 4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.690 15.348 6.313 1.00 0.00 H new ATOM 933 N VAL A 62 -1.781 7.848 5.500 1.00 0.00 N ATOM 934 CA VAL A 62 -0.887 6.706 5.673 1.00 0.00 C ATOM 935 C VAL A 62 0.561 7.150 5.490 1.00 0.00 C ATOM 936 O VAL A 62 0.940 7.643 4.420 1.00 0.00 O ATOM 937 CB VAL A 62 -1.226 5.620 4.650 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.656 4.279 5.107 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.743 5.514 4.503 1.00 0.00 C ATOM 0 H VAL A 62 -2.154 7.962 4.557 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.015 6.304 6.678 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.786 5.882 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.901 3.511 4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.427 4.357 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.086 4.011 6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.985 4.740 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.185 5.256 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.143 6.469 4.164 1.00 0.00 H new ATOM 949 N ASN A 63 1.361 6.978 6.539 1.00 0.00 N ATOM 950 CA ASN A 63 2.765 7.368 6.493 1.00 0.00 C ATOM 951 C ASN A 63 3.611 6.263 5.869 1.00 0.00 C ATOM 952 O ASN A 63 3.205 5.101 5.832 1.00 0.00 O ATOM 953 CB ASN A 63 3.271 7.661 7.907 1.00 0.00 C ATOM 954 CG ASN A 63 2.250 8.505 8.663 1.00 0.00 C ATOM 955 OD1 ASN A 63 1.331 9.057 8.057 1.00 0.00 O ATOM 956 ND2 ASN A 63 2.354 8.637 9.957 1.00 0.00 N ATOM 0 H ASN A 63 1.062 6.573 7.426 1.00 0.00 H new ATOM 0 HA ASN A 63 2.852 8.265 5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.448 6.727 8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.225 8.186 7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.673 9.198 10.469 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.116 8.179 10.457 1.00 0.00 H new ATOM 963 N TYR A 64 4.792 6.633 5.385 1.00 0.00 N ATOM 964 CA TYR A 64 5.688 5.667 4.769 1.00 0.00 C ATOM 965 C TYR A 64 5.923 4.488 5.707 1.00 0.00 C ATOM 966 O TYR A 64 6.026 3.345 5.265 1.00 0.00 O ATOM 967 CB TYR A 64 7.026 6.333 4.434 1.00 0.00 C ATOM 968 CG TYR A 64 8.000 5.292 3.928 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.866 4.775 2.633 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.035 4.841 4.758 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.767 3.808 2.168 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.933 3.875 4.292 1.00 0.00 C ATOM 973 CZ TYR A 64 9.799 3.358 2.999 1.00 0.00 C ATOM 974 OH TYR A 64 10.683 2.404 2.543 1.00 0.00 O ATOM 0 H TYR A 64 5.147 7.589 5.408 1.00 0.00 H new ATOM 0 HA TYR A 64 5.227 5.302 3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.880 7.106 3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.431 6.824 5.319 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.068 5.122 1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.139 5.239 5.757 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.665 3.410 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.731 3.528 4.931 1.00 0.00 H new ATOM 0 HH TYR A 64 11.338 2.204 3.244 1.00 0.00 H new ATOM 984 N GLU A 65 6.020 4.773 7.001 1.00 0.00 N ATOM 985 CA GLU A 65 6.257 3.723 7.987 1.00 0.00 C ATOM 986 C GLU A 65 5.093 2.737 8.012 1.00 0.00 C ATOM 987 O GLU A 65 5.291 1.519 8.006 1.00 0.00 O ATOM 988 CB GLU A 65 6.424 4.349 9.374 1.00 0.00 C ATOM 989 CG GLU A 65 7.590 5.335 9.348 1.00 0.00 C ATOM 990 CD GLU A 65 7.760 5.981 10.721 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.024 5.614 11.620 1.00 0.00 O ATOM 992 OE2 GLU A 65 8.626 6.833 10.852 1.00 0.00 O ATOM 0 H GLU A 65 5.939 5.713 7.390 1.00 0.00 H new ATOM 0 HA GLU A 65 7.165 3.187 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.507 4.861 9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.607 3.572 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.507 4.819 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.411 6.103 8.596 1.00 0.00 H new ATOM 999 N GLU A 66 3.876 3.274 8.036 1.00 0.00 N ATOM 1000 CA GLU A 66 2.680 2.431 8.058 1.00 0.00 C ATOM 1001 C GLU A 66 2.617 1.572 6.796 1.00 0.00 C ATOM 1002 O GLU A 66 2.160 0.428 6.822 1.00 0.00 O ATOM 1003 CB GLU A 66 1.427 3.301 8.164 1.00 0.00 C ATOM 1004 CG GLU A 66 1.373 3.960 9.545 1.00 0.00 C ATOM 1005 CD GLU A 66 0.215 4.953 9.611 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.470 5.112 8.614 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.034 5.544 10.659 1.00 0.00 O ATOM 0 H GLU A 66 3.691 4.277 8.041 1.00 0.00 H new ATOM 0 HA GLU A 66 2.729 1.775 8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.435 4.064 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.536 2.694 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.252 3.198 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.313 4.473 9.748 1.00 0.00 H new ATOM 1014 N PHE A 67 3.073 2.130 5.687 1.00 0.00 N ATOM 1015 CA PHE A 67 3.070 1.400 4.427 1.00 0.00 C ATOM 1016 C PHE A 67 4.068 0.248 4.472 1.00 0.00 C ATOM 1017 O PHE A 67 3.759 -0.873 4.065 1.00 0.00 O ATOM 1018 CB PHE A 67 3.431 2.341 3.276 1.00 0.00 C ATOM 1019 CG PHE A 67 3.409 1.577 1.974 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.189 1.309 1.341 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.608 1.138 1.397 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.168 0.603 0.133 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.586 0.431 0.189 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.366 0.164 -0.444 1.00 0.00 C ATOM 0 H PHE A 67 3.447 3.077 5.631 1.00 0.00 H new ATOM 0 HA PHE A 67 2.070 0.996 4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.725 3.170 3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.419 2.771 3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.264 1.647 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.549 1.345 1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.227 0.396 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.510 0.091 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.349 -0.380 -1.377 1.00 0.00 H new ATOM 1034 N VAL A 68 5.274 0.535 4.959 1.00 0.00 N ATOM 1035 CA VAL A 68 6.313 -0.485 5.025 1.00 0.00 C ATOM 1036 C VAL A 68 5.854 -1.675 5.868 1.00 0.00 C ATOM 1037 O VAL A 68 5.864 -2.818 5.404 1.00 0.00 O ATOM 1038 CB VAL A 68 7.583 0.114 5.651 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.574 -1.006 5.994 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.236 1.078 4.660 1.00 0.00 C ATOM 0 H VAL A 68 5.551 1.452 5.308 1.00 0.00 H new ATOM 0 HA VAL A 68 6.520 -0.830 4.012 1.00 0.00 H new ATOM 0 HB VAL A 68 7.313 0.649 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.472 -0.575 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.114 -1.694 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.841 -1.546 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.136 1.502 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.500 0.540 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.538 1.880 4.419 1.00 0.00 H new ATOM 1050 N LYS A 69 5.458 -1.400 7.105 1.00 0.00 N ATOM 1051 CA LYS A 69 5.013 -2.465 7.995 1.00 0.00 C ATOM 1052 C LYS A 69 3.857 -3.230 7.358 1.00 0.00 C ATOM 1053 O LYS A 69 3.759 -4.452 7.489 1.00 0.00 O ATOM 1054 CB LYS A 69 4.588 -1.866 9.349 1.00 0.00 C ATOM 1055 CG LYS A 69 3.117 -1.442 9.303 1.00 0.00 C ATOM 1056 CD LYS A 69 2.754 -0.679 10.562 1.00 0.00 C ATOM 1057 CE LYS A 69 1.243 -0.427 10.577 1.00 0.00 C ATOM 1058 NZ LYS A 69 0.850 0.357 9.370 1.00 0.00 N ATOM 0 H LYS A 69 5.436 -0.464 7.510 1.00 0.00 H new ATOM 0 HA LYS A 69 5.834 -3.162 8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.738 -2.599 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.214 -1.006 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.937 -0.819 8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.480 -2.321 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.049 -1.247 11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.293 0.267 10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.707 -1.376 10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.964 0.115 11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.050 -0.007 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.738 1.358 9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.588 0.267 8.642 1.00 0.00 H new ATOM 1072 N MET A 70 2.970 -2.496 6.689 1.00 0.00 N ATOM 1073 CA MET A 70 1.821 -3.123 6.052 1.00 0.00 C ATOM 1074 C MET A 70 2.273 -4.086 4.970 1.00 0.00 C ATOM 1075 O MET A 70 1.769 -5.196 4.874 1.00 0.00 O ATOM 1076 CB MET A 70 0.912 -2.039 5.445 1.00 0.00 C ATOM 1077 CG MET A 70 -0.061 -1.505 6.508 1.00 0.00 C ATOM 1078 SD MET A 70 -1.590 -2.484 6.440 1.00 0.00 S ATOM 1079 CE MET A 70 -1.461 -3.253 8.067 1.00 0.00 C ATOM 0 H MET A 70 3.025 -1.484 6.576 1.00 0.00 H new ATOM 0 HA MET A 70 1.264 -3.684 6.803 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.519 -1.222 5.054 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.353 -2.451 4.605 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.388 -1.573 7.499 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.278 -0.452 6.327 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.401 -3.748 8.311 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.655 -3.987 8.060 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.249 -2.489 8.815 1.00 0.00 H new ATOM 1089 N MET A 71 3.227 -3.654 4.168 1.00 0.00 N ATOM 1090 CA MET A 71 3.738 -4.488 3.090 1.00 0.00 C ATOM 1091 C MET A 71 4.422 -5.720 3.648 1.00 0.00 C ATOM 1092 O MET A 71 4.450 -6.770 3.007 1.00 0.00 O ATOM 1093 CB MET A 71 4.723 -3.690 2.234 1.00 0.00 C ATOM 1094 CG MET A 71 3.976 -2.549 1.491 1.00 0.00 C ATOM 1095 SD MET A 71 4.336 -2.629 -0.285 1.00 0.00 S ATOM 1096 CE MET A 71 2.922 -3.656 -0.752 1.00 0.00 C ATOM 0 H MET A 71 3.664 -2.735 4.239 1.00 0.00 H new ATOM 0 HA MET A 71 2.899 -4.806 2.471 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.509 -3.272 2.863 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.208 -4.348 1.513 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.902 -2.637 1.658 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.282 -1.582 1.890 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.086 -4.070 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.810 -4.469 -0.034 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.017 -3.049 -0.757 1.00 0.00 H new ATOM 1106 N MET A 72 4.974 -5.586 4.848 1.00 0.00 N ATOM 1107 CA MET A 72 5.653 -6.704 5.496 1.00 0.00 C ATOM 1108 C MET A 72 4.656 -7.578 6.249 1.00 0.00 C ATOM 1109 O MET A 72 4.498 -8.761 5.944 1.00 0.00 O ATOM 1110 CB MET A 72 6.710 -6.180 6.465 1.00 0.00 C ATOM 1111 CG MET A 72 7.880 -5.597 5.673 1.00 0.00 C ATOM 1112 SD MET A 72 9.140 -4.988 6.820 1.00 0.00 S ATOM 1113 CE MET A 72 10.235 -4.253 5.582 1.00 0.00 C ATOM 0 H MET A 72 4.966 -4.722 5.390 1.00 0.00 H new ATOM 0 HA MET A 72 6.133 -7.307 4.725 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.279 -5.417 7.113 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.059 -6.986 7.110 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.306 -6.358 5.019 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.532 -4.786 5.034 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.911 -3.548 6.067 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.816 -5.038 5.098 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.639 -3.729 4.835 1.00 0.00 H new ATOM 1123 N THR A 73 3.988 -6.992 7.238 1.00 0.00 N ATOM 1124 CA THR A 73 3.018 -7.732 8.039 1.00 0.00 C ATOM 1125 C THR A 73 2.126 -8.584 7.142 1.00 0.00 C ATOM 1126 O THR A 73 1.607 -9.613 7.566 1.00 0.00 O ATOM 1127 CB THR A 73 2.152 -6.758 8.841 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.991 -5.855 9.548 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.286 -7.537 9.834 1.00 0.00 C ATOM 0 H THR A 73 4.099 -6.013 7.503 1.00 0.00 H new ATOM 0 HA THR A 73 3.561 -8.385 8.723 1.00 0.00 H new ATOM 0 HB THR A 73 1.507 -6.201 8.161 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.226 -5.102 8.966 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.670 -6.841 10.404 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.643 -8.229 9.291 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.927 -8.096 10.516 1.00 0.00 H new ATOM 1137 N VAL A 74 1.960 -8.153 5.901 1.00 0.00 N ATOM 1138 CA VAL A 74 1.135 -8.895 4.956 1.00 0.00 C ATOM 1139 C VAL A 74 1.706 -10.287 4.723 1.00 0.00 C ATOM 1140 O VAL A 74 0.973 -11.275 4.721 1.00 0.00 O ATOM 1141 CB VAL A 74 1.058 -8.132 3.623 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.566 -9.073 2.509 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.076 -6.944 3.762 1.00 0.00 C ATOM 0 H VAL A 74 2.380 -7.302 5.526 1.00 0.00 H new ATOM 0 HA VAL A 74 0.133 -8.997 5.374 1.00 0.00 H new ATOM 0 HB VAL A 74 2.050 -7.759 3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.514 -8.526 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.259 -9.908 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.424 -9.452 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.022 -6.404 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.914 -7.319 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.427 -6.271 4.545 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.777 -7.616 5.905 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.222 -7.604 5.688 1.00 0.00 C ATOM 1207 C GLY A 80 -6.564 -8.117 4.295 1.00 0.00 C ATOM 1208 O GLY A 80 -5.801 -8.873 3.699 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.712 -8.223 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.604 -6.591 5.811 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.715 -7.699 3.781 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.147 -8.120 2.450 1.00 0.00 C ATOM 1214 C ASN A 81 -7.633 -7.152 1.385 1.00 0.00 C ATOM 1215 O ASN A 81 -7.238 -7.559 0.286 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.676 -8.177 2.397 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.267 -6.842 2.835 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -10.120 -5.839 2.139 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -10.926 -6.767 3.959 1.00 0.00 N ATOM 0 H ASN A 81 -8.363 -7.074 4.260 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.737 -9.110 2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.004 -8.414 1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.040 -8.974 3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.320 -5.876 4.261 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.047 -7.600 4.536 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.622 -5.865 1.720 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.148 -4.852 0.785 1.00 0.00 C ATOM 1228 C GLY A 82 -5.638 -4.966 0.573 1.00 0.00 C ATOM 1229 O GLY A 82 -5.170 -5.204 -0.537 1.00 0.00 O ATOM 0 H GLY A 82 -7.932 -5.503 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.662 -4.964 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.392 -3.860 1.164 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.877 -4.806 1.648 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.423 -4.906 1.558 1.00 0.00 C ATOM 1235 C TRP A 83 -3.044 -6.212 0.857 1.00 0.00 C ATOM 1236 O TRP A 83 -2.105 -6.252 0.052 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.816 -4.858 2.960 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.022 -3.498 3.547 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.867 -3.210 4.563 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.394 -2.238 3.167 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.796 -1.855 4.833 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -2.903 -1.212 3.998 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.443 -1.891 2.191 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.484 0.113 3.863 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.018 -0.561 2.054 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.538 0.439 2.888 1.00 0.00 C ATOM 0 H TRP A 83 -5.235 -4.609 2.583 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.033 -4.069 0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.280 -5.613 3.594 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.752 -5.089 2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.495 -3.921 5.079 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.337 -1.388 5.560 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.037 -2.653 1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.888 0.880 4.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.286 -0.306 1.302 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.207 1.461 2.777 1.00 0.00 H new ATOM 1257 N SER A 84 -3.780 -7.278 1.163 1.00 0.00 N ATOM 1258 CA SER A 84 -3.520 -8.575 0.548 1.00 0.00 C ATOM 1259 C SER A 84 -3.652 -8.464 -0.968 1.00 0.00 C ATOM 1260 O SER A 84 -2.889 -9.080 -1.714 1.00 0.00 O ATOM 1261 CB SER A 84 -4.506 -9.614 1.076 1.00 0.00 C ATOM 1262 OG SER A 84 -4.159 -9.951 2.413 1.00 0.00 O ATOM 0 H SER A 84 -4.554 -7.269 1.827 1.00 0.00 H new ATOM 0 HA SER A 84 -2.507 -8.888 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.522 -9.220 1.039 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.486 -10.504 0.447 1.00 0.00 H new ATOM 0 HG SER A 84 -4.545 -9.292 3.027 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.613 -7.653 -1.415 1.00 0.00 N ATOM 1269 CA ARG A 85 -4.809 -7.442 -2.850 1.00 0.00 C ATOM 1270 C ARG A 85 -3.653 -6.637 -3.434 1.00 0.00 C ATOM 1271 O ARG A 85 -3.205 -6.896 -4.552 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.135 -6.723 -3.105 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.290 -7.703 -2.907 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.615 -6.956 -3.038 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.730 -7.871 -2.824 1.00 0.00 N ATOM 1276 CZ ARG A 85 -10.978 -7.422 -2.731 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -11.220 -6.143 -2.833 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -11.959 -8.258 -2.535 1.00 0.00 N ATOM 0 H ARG A 85 -5.258 -7.139 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.838 -8.415 -3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.240 -5.878 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.154 -6.321 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.235 -8.502 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.220 -8.172 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.657 -6.144 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.690 -6.504 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.550 -8.872 -2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.452 -5.489 -2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.177 -5.798 -2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.769 -9.257 -2.453 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.916 -7.913 -2.464 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.177 -5.660 -2.670 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.073 -4.828 -3.119 1.00 0.00 C ATOM 1294 C LEU A 86 -0.805 -5.659 -3.249 1.00 0.00 C ATOM 1295 O LEU A 86 0.112 -5.308 -3.994 1.00 0.00 O ATOM 1296 CB LEU A 86 -1.844 -3.671 -2.136 1.00 0.00 C ATOM 1297 CG LEU A 86 -0.596 -2.871 -2.542 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -0.766 -2.337 -3.965 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.405 -1.703 -1.581 1.00 0.00 C ATOM 0 H LEU A 86 -3.537 -5.428 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.325 -4.415 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.716 -3.017 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.722 -4.061 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 86 0.277 -3.522 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.121 -1.770 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.899 -3.172 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.641 -1.688 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.480 -1.136 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.280 -1.054 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.278 -2.083 -0.567 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.753 -6.751 -2.507 1.00 0.00 N ATOM 1312 CA ARG A 87 0.420 -7.628 -2.532 1.00 0.00 C ATOM 1313 C ARG A 87 0.245 -8.743 -3.556 1.00 0.00 C ATOM 1314 O ARG A 87 1.014 -8.853 -4.508 1.00 0.00 O ATOM 1315 CB ARG A 87 0.640 -8.242 -1.150 1.00 0.00 C ATOM 1316 CG ARG A 87 2.078 -8.773 -1.056 1.00 0.00 C ATOM 1317 CD ARG A 87 3.077 -7.595 -0.949 1.00 0.00 C ATOM 1318 NE ARG A 87 3.872 -7.505 -2.164 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.049 -6.893 -2.163 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.506 -6.367 -1.058 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.746 -6.813 -3.260 1.00 0.00 N ATOM 0 H ARG A 87 -1.499 -7.056 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 87 1.286 -7.028 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.464 -7.496 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.071 -9.051 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.177 -9.424 -0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.309 -9.376 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.536 -6.662 -0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.729 -7.738 -0.087 1.00 0.00 H new ATOM 0 HE ARG A 87 3.520 -7.918 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.958 -6.428 -0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.411 -5.896 -1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.387 -7.221 -4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.651 -6.342 -3.256 1.00 0.00 H new ATOM 1335 N ARG A 88 -0.768 -9.569 -3.343 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.027 -10.689 -4.241 1.00 0.00 C ATOM 1337 C ARG A 88 -0.923 -10.265 -5.700 1.00 0.00 C ATOM 1338 O ARG A 88 -0.280 -10.937 -6.506 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.434 -11.246 -3.990 1.00 0.00 C ATOM 1340 CG ARG A 88 -2.455 -12.040 -2.683 1.00 0.00 C ATOM 1341 CD ARG A 88 -3.861 -12.590 -2.441 1.00 0.00 C ATOM 1342 NE ARG A 88 -3.883 -13.396 -1.225 1.00 0.00 N ATOM 1343 CZ ARG A 88 -4.841 -14.291 -1.011 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -5.782 -14.465 -1.897 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -4.839 -15.000 0.085 1.00 0.00 N ATOM 0 H ARG A 88 -1.421 -9.488 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.276 -11.453 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.154 -10.429 -3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.734 -11.886 -4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.737 -12.858 -2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.155 -11.401 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.571 -11.768 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.175 -13.194 -3.292 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.150 -13.270 -0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.783 -13.914 -2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.517 -15.152 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.102 -14.867 0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.575 -15.687 0.249 1.00 0.00 H new