USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -151:sc= 0.48 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.635 K(o=0.64,f=-0.26) USER MOD Single : A 20 THR OG1 : rot -82:sc= 1.29 USER MOD Single : A 30 SER OG : rot 100:sc= 1.2 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 23:sc= 0.196 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.18) USER MOD Single : A 63 MET CE :methyl 166:sc= -0.0038 (180deg=-0.2) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 70 MET CE :methyl 171:sc= -0.0412 (180deg=-0.278) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.312 X(o=0.31,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 8.081 0.308 -10.216 1.00 0.00 N ATOM 101 CA TYR A 9 8.153 -0.273 -8.871 1.00 0.00 C ATOM 102 C TYR A 9 6.964 0.167 -7.993 1.00 0.00 C ATOM 103 O TYR A 9 7.107 0.985 -7.084 1.00 0.00 O ATOM 104 CB TYR A 9 9.532 0.065 -8.264 1.00 0.00 C ATOM 105 CG TYR A 9 10.715 0.007 -9.225 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.921 -1.112 -10.062 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.593 1.106 -9.305 1.00 0.00 C ATOM 108 CE1 TYR A 9 12.002 -1.129 -10.966 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.683 1.085 -10.195 1.00 0.00 C ATOM 110 CZ TYR A 9 12.899 -0.039 -11.018 1.00 0.00 C ATOM 111 OH TYR A 9 13.996 -0.082 -11.822 1.00 0.00 O ATOM 0 HA TYR A 9 8.065 -1.358 -8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.484 1.067 -7.838 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.724 -0.623 -7.441 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.249 -1.956 -10.009 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.428 1.971 -8.679 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.145 -1.977 -11.620 1.00 0.00 H new ATOM 0 HE2 TYR A 9 13.354 1.930 -10.247 1.00 0.00 H new ATOM 0 HH TYR A 9 14.500 0.754 -11.733 1.00 0.00 H new ATOM 121 N ARG A 10 5.786 -0.424 -8.234 1.00 0.00 N ATOM 122 CA ARG A 10 4.515 -0.108 -7.552 1.00 0.00 C ATOM 123 C ARG A 10 3.740 -1.379 -7.185 1.00 0.00 C ATOM 124 O ARG A 10 3.692 -2.326 -7.972 1.00 0.00 O ATOM 125 CB ARG A 10 3.716 0.868 -8.444 1.00 0.00 C ATOM 126 CG ARG A 10 2.398 1.375 -7.827 1.00 0.00 C ATOM 127 CD ARG A 10 1.789 2.568 -8.586 1.00 0.00 C ATOM 128 NE ARG A 10 1.518 2.265 -10.006 1.00 0.00 N ATOM 129 CZ ARG A 10 2.164 2.737 -11.059 1.00 0.00 C ATOM 130 NH1 ARG A 10 3.070 3.667 -11.017 1.00 0.00 N ATOM 131 NH2 ARG A 10 1.921 2.249 -12.237 1.00 0.00 N ATOM 0 H ARG A 10 5.684 -1.161 -8.932 1.00 0.00 H new ATOM 0 HA ARG A 10 4.708 0.382 -6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.347 1.726 -8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.492 0.374 -9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.676 0.559 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.578 1.665 -6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.860 2.867 -8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.469 3.418 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 10 0.749 1.622 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.328 4.087 -10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.523 3.977 -11.877 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.234 1.504 -12.348 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.417 2.611 -13.051 1.00 0.00 H new ATOM 145 N CYS A 11 3.113 -1.402 -6.007 1.00 0.00 N ATOM 146 CA CYS A 11 2.377 -2.558 -5.478 1.00 0.00 C ATOM 147 C CYS A 11 1.090 -2.182 -4.710 1.00 0.00 C ATOM 148 O CYS A 11 0.939 -1.065 -4.220 1.00 0.00 O ATOM 149 CB CYS A 11 3.339 -3.432 -4.654 1.00 0.00 C ATOM 150 SG CYS A 11 3.911 -2.572 -3.157 1.00 0.00 S ATOM 0 H CYS A 11 3.101 -0.599 -5.378 1.00 0.00 H new ATOM 0 HA CYS A 11 2.008 -3.139 -6.323 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.839 -4.359 -4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.198 -3.706 -5.267 1.00 0.00 H new ATOM 0 HG CYS A 11 4.717 -3.346 -2.493 1.00 0.00 H new ATOM 156 N PHE A 12 0.153 -3.126 -4.644 1.00 0.00 N ATOM 157 CA PHE A 12 -1.127 -3.098 -3.928 1.00 0.00 C ATOM 158 C PHE A 12 -0.979 -3.444 -2.434 1.00 0.00 C ATOM 159 O PHE A 12 -0.111 -4.237 -2.062 1.00 0.00 O ATOM 160 CB PHE A 12 -2.049 -4.115 -4.617 1.00 0.00 C ATOM 161 CG PHE A 12 -3.396 -4.315 -3.957 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.446 -3.415 -4.216 1.00 0.00 C ATOM 163 CD2 PHE A 12 -3.600 -5.401 -3.083 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.699 -3.612 -3.615 1.00 0.00 C ATOM 165 CE2 PHE A 12 -4.851 -5.586 -2.468 1.00 0.00 C ATOM 166 CZ PHE A 12 -5.902 -4.694 -2.740 1.00 0.00 C ATOM 0 H PHE A 12 0.279 -4.012 -5.134 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.537 -2.089 -3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.211 -3.795 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.536 -5.076 -4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.288 -2.575 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.794 -6.092 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.510 -2.930 -3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.004 -6.411 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.867 -4.839 -2.277 1.00 0.00 H new ATOM 176 N VAL A 13 -1.853 -2.879 -1.592 1.00 0.00 N ATOM 177 CA VAL A 13 -1.902 -3.062 -0.130 1.00 0.00 C ATOM 178 C VAL A 13 -3.339 -3.087 0.405 1.00 0.00 C ATOM 179 O VAL A 13 -4.098 -2.166 0.114 1.00 0.00 O ATOM 180 CB VAL A 13 -1.129 -1.943 0.605 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.311 -2.370 0.870 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.110 -0.575 -0.095 1.00 0.00 C ATOM 0 H VAL A 13 -2.583 -2.250 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.434 -4.027 0.064 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.687 -1.804 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.839 -1.569 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.316 -3.267 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.809 -2.579 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.541 0.134 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.644 -0.674 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.131 -0.213 -0.214 1.00 0.00 H new ATOM 192 N GLY A 14 -3.695 -4.059 1.260 1.00 0.00 N ATOM 193 CA GLY A 14 -5.007 -4.118 1.939 1.00 0.00 C ATOM 194 C GLY A 14 -4.954 -4.386 3.455 1.00 0.00 C ATOM 195 O GLY A 14 -4.463 -5.432 3.886 1.00 0.00 O ATOM 0 H GLY A 14 -3.078 -4.834 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.527 -3.174 1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.605 -4.899 1.470 1.00 0.00 H new ATOM 199 N SER A 15 -5.507 -3.453 4.244 1.00 0.00 N ATOM 200 CA SER A 15 -5.645 -3.478 5.727 1.00 0.00 C ATOM 201 C SER A 15 -6.570 -2.380 6.287 1.00 0.00 C ATOM 202 O SER A 15 -7.015 -2.479 7.432 1.00 0.00 O ATOM 203 CB SER A 15 -4.286 -3.248 6.426 1.00 0.00 C ATOM 204 OG SER A 15 -3.773 -4.468 6.918 1.00 0.00 O ATOM 0 H SER A 15 -5.899 -2.599 3.847 1.00 0.00 H new ATOM 0 HA SER A 15 -6.063 -4.464 5.929 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.579 -2.806 5.724 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.407 -2.540 7.246 1.00 0.00 H new ATOM 0 HG SER A 15 -3.217 -4.295 7.706 1.00 0.00 H new ATOM 210 N LEU A 16 -6.789 -1.306 5.519 1.00 0.00 N ATOM 211 CA LEU A 16 -7.032 0.050 6.020 1.00 0.00 C ATOM 212 C LEU A 16 -8.436 0.267 6.592 1.00 0.00 C ATOM 213 O LEU A 16 -9.395 -0.450 6.291 1.00 0.00 O ATOM 214 CB LEU A 16 -6.768 1.098 4.916 1.00 0.00 C ATOM 215 CG LEU A 16 -5.501 0.954 4.071 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.454 2.180 3.167 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.221 0.887 4.894 1.00 0.00 C ATOM 0 H LEU A 16 -6.802 -1.359 4.500 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.331 0.177 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.622 1.091 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.744 2.080 5.388 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.548 0.014 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.566 2.133 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.344 2.203 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.418 3.082 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.365 0.785 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.118 1.800 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.264 0.028 5.564 1.00 0.00 H new ATOM 229 N SER A 17 -8.547 1.352 7.346 1.00 0.00 N ATOM 230 CA SER A 17 -9.778 1.858 7.964 1.00 0.00 C ATOM 231 C SER A 17 -10.301 3.110 7.233 1.00 0.00 C ATOM 232 O SER A 17 -9.597 3.706 6.407 1.00 0.00 O ATOM 233 CB SER A 17 -9.477 2.137 9.444 1.00 0.00 C ATOM 234 OG SER A 17 -10.640 2.479 10.161 1.00 0.00 O ATOM 0 H SER A 17 -7.740 1.939 7.558 1.00 0.00 H new ATOM 0 HA SER A 17 -10.573 1.116 7.886 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.019 1.256 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.752 2.947 9.521 1.00 0.00 H new ATOM 0 HG SER A 17 -10.409 2.648 11.098 1.00 0.00 H new ATOM 240 N TRP A 18 -11.506 3.580 7.562 1.00 0.00 N ATOM 241 CA TRP A 18 -11.995 4.925 7.222 1.00 0.00 C ATOM 242 C TRP A 18 -11.068 6.073 7.681 1.00 0.00 C ATOM 243 O TRP A 18 -11.226 7.187 7.182 1.00 0.00 O ATOM 244 CB TRP A 18 -13.409 5.113 7.794 1.00 0.00 C ATOM 245 CG TRP A 18 -13.529 5.073 9.288 1.00 0.00 C ATOM 246 CD1 TRP A 18 -13.919 3.995 10.004 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.286 6.129 10.272 1.00 0.00 C ATOM 248 NE1 TRP A 18 -13.891 4.286 11.351 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.489 5.583 11.577 1.00 0.00 C ATOM 250 CE3 TRP A 18 -12.916 7.491 10.200 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -13.293 6.336 12.744 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -12.729 8.258 11.367 1.00 0.00 C ATOM 253 CH2 TRP A 18 -12.909 7.682 12.636 1.00 0.00 C ATOM 0 H TRP A 18 -12.186 3.027 8.083 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.010 4.984 6.134 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.795 6.070 7.445 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -14.053 4.338 7.378 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -14.210 3.044 9.582 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -14.137 3.624 12.087 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.774 7.952 9.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.436 5.885 13.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.445 9.297 11.286 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.752 8.273 13.526 1.00 0.00 H new ATOM 264 N ASN A 19 -10.089 5.826 8.569 1.00 0.00 N ATOM 265 CA ASN A 19 -9.077 6.813 8.999 1.00 0.00 C ATOM 266 C ASN A 19 -7.604 6.513 8.627 1.00 0.00 C ATOM 267 O ASN A 19 -6.801 7.450 8.602 1.00 0.00 O ATOM 268 CB ASN A 19 -9.231 7.084 10.503 1.00 0.00 C ATOM 269 CG ASN A 19 -9.121 5.847 11.376 1.00 0.00 C ATOM 270 OD1 ASN A 19 -8.084 5.195 11.463 1.00 0.00 O ATOM 271 ND2 ASN A 19 -10.190 5.503 12.048 1.00 0.00 N ATOM 0 H ASN A 19 -9.975 4.917 9.018 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.294 7.707 8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.469 7.800 10.811 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.199 7.553 10.678 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.169 4.683 12.655 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.044 6.055 11.965 1.00 0.00 H new ATOM 278 N THR A 20 -7.215 5.267 8.326 1.00 0.00 N ATOM 279 CA THR A 20 -5.847 4.938 7.854 1.00 0.00 C ATOM 280 C THR A 20 -5.705 5.293 6.380 1.00 0.00 C ATOM 281 O THR A 20 -6.619 5.001 5.607 1.00 0.00 O ATOM 282 CB THR A 20 -5.498 3.443 7.973 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.213 2.810 9.007 1.00 0.00 O ATOM 284 CG2 THR A 20 -3.997 3.234 8.175 1.00 0.00 C ATOM 0 H THR A 20 -7.830 4.457 8.399 1.00 0.00 H new ATOM 0 HA THR A 20 -5.176 5.513 8.492 1.00 0.00 H new ATOM 0 HB THR A 20 -5.793 2.984 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.769 2.980 9.864 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.786 2.168 8.255 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.454 3.649 7.326 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.679 3.736 9.089 1.00 0.00 H new ATOM 292 N ASP A 21 -4.585 5.874 5.940 1.00 0.00 N ATOM 293 CA ASP A 21 -4.432 6.220 4.524 1.00 0.00 C ATOM 294 C ASP A 21 -2.997 6.146 3.963 1.00 0.00 C ATOM 295 O ASP A 21 -2.071 5.627 4.592 1.00 0.00 O ATOM 296 CB ASP A 21 -5.114 7.590 4.271 1.00 0.00 C ATOM 297 CG ASP A 21 -4.436 8.801 4.922 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.198 8.947 4.817 1.00 0.00 O ATOM 299 OD2 ASP A 21 -5.154 9.651 5.501 1.00 0.00 O ATOM 0 H ASP A 21 -3.787 6.111 6.529 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.935 5.440 3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.161 7.758 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.142 7.535 4.631 1.00 0.00 H new ATOM 304 N ASP A 22 -2.838 6.660 2.740 1.00 0.00 N ATOM 305 CA ASP A 22 -1.604 6.714 1.952 1.00 0.00 C ATOM 306 C ASP A 22 -0.388 7.333 2.673 1.00 0.00 C ATOM 307 O ASP A 22 0.754 7.047 2.304 1.00 0.00 O ATOM 308 CB ASP A 22 -1.903 7.467 0.645 1.00 0.00 C ATOM 309 CG ASP A 22 -2.598 8.812 0.842 1.00 0.00 C ATOM 310 OD1 ASP A 22 -1.912 9.850 0.984 1.00 0.00 O ATOM 311 OD2 ASP A 22 -3.850 8.843 0.859 1.00 0.00 O ATOM 0 H ASP A 22 -3.623 7.078 2.240 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.304 5.683 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.967 7.629 0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.527 6.838 0.011 1.00 0.00 H new ATOM 316 N ARG A 23 -0.607 8.137 3.720 1.00 0.00 N ATOM 317 CA ARG A 23 0.455 8.757 4.535 1.00 0.00 C ATOM 318 C ARG A 23 1.029 7.824 5.608 1.00 0.00 C ATOM 319 O ARG A 23 2.243 7.832 5.829 1.00 0.00 O ATOM 320 CB ARG A 23 -0.092 10.066 5.118 1.00 0.00 C ATOM 321 CG ARG A 23 0.991 10.891 5.817 1.00 0.00 C ATOM 322 CD ARG A 23 0.505 12.324 6.045 1.00 0.00 C ATOM 323 NE ARG A 23 1.631 13.190 6.411 1.00 0.00 N ATOM 324 CZ ARG A 23 2.047 13.498 7.619 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.470 13.088 8.707 1.00 0.00 N ATOM 326 NH2 ARG A 23 3.110 14.223 7.745 1.00 0.00 N ATOM 0 H ARG A 23 -1.546 8.383 4.034 1.00 0.00 H new ATOM 0 HA ARG A 23 1.310 8.970 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.537 10.659 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.888 9.840 5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.248 10.431 6.771 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.898 10.899 5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.026 12.701 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.246 12.339 6.834 1.00 0.00 H new ATOM 0 HE ARG A 23 2.152 13.602 5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.644 12.491 8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.842 13.362 9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.609 14.545 6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.450 14.473 8.674 1.00 0.00 H new ATOM 340 N GLY A 24 0.188 6.994 6.226 1.00 0.00 N ATOM 341 CA GLY A 24 0.597 5.944 7.168 1.00 0.00 C ATOM 342 C GLY A 24 1.226 4.743 6.460 1.00 0.00 C ATOM 343 O GLY A 24 2.259 4.236 6.907 1.00 0.00 O ATOM 0 H GLY A 24 -0.821 7.032 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.310 6.357 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.270 5.613 7.739 1.00 0.00 H new ATOM 347 N LEU A 25 0.666 4.359 5.303 1.00 0.00 N ATOM 348 CA LEU A 25 1.310 3.437 4.354 1.00 0.00 C ATOM 349 C LEU A 25 2.711 3.922 3.950 1.00 0.00 C ATOM 350 O LEU A 25 3.678 3.176 4.082 1.00 0.00 O ATOM 351 CB LEU A 25 0.433 3.278 3.095 1.00 0.00 C ATOM 352 CG LEU A 25 -0.801 2.376 3.257 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.665 2.487 1.999 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.391 0.912 3.446 1.00 0.00 C ATOM 0 H LEU A 25 -0.252 4.681 4.997 1.00 0.00 H new ATOM 0 HA LEU A 25 1.418 2.474 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.100 4.266 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.051 2.878 2.291 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.355 2.700 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.544 1.850 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.980 3.522 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.087 2.168 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.283 0.296 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.174 0.577 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.228 0.820 4.338 1.00 0.00 H new ATOM 366 N GLU A 26 2.843 5.179 3.514 1.00 0.00 N ATOM 367 CA GLU A 26 4.132 5.784 3.150 1.00 0.00 C ATOM 368 C GLU A 26 5.168 5.685 4.279 1.00 0.00 C ATOM 369 O GLU A 26 6.318 5.349 4.005 1.00 0.00 O ATOM 370 CB GLU A 26 3.882 7.244 2.741 1.00 0.00 C ATOM 371 CG GLU A 26 5.119 8.129 2.551 1.00 0.00 C ATOM 372 CD GLU A 26 4.659 9.571 2.335 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.429 10.289 3.338 1.00 0.00 O ATOM 374 OE2 GLU A 26 4.421 9.976 1.173 1.00 0.00 O ATOM 0 H GLU A 26 2.051 5.813 3.402 1.00 0.00 H new ATOM 0 HA GLU A 26 4.558 5.231 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.318 7.244 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.247 7.705 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.767 8.066 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.702 7.786 1.696 1.00 0.00 H new ATOM 381 N ALA A 27 4.787 5.920 5.539 1.00 0.00 N ATOM 382 CA ALA A 27 5.713 5.842 6.670 1.00 0.00 C ATOM 383 C ALA A 27 6.212 4.412 6.945 1.00 0.00 C ATOM 384 O ALA A 27 7.414 4.205 7.142 1.00 0.00 O ATOM 385 CB ALA A 27 5.021 6.437 7.902 1.00 0.00 C ATOM 0 H ALA A 27 3.833 6.168 5.801 1.00 0.00 H new ATOM 0 HA ALA A 27 6.607 6.415 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.695 6.388 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.759 7.477 7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.116 5.870 8.121 1.00 0.00 H new ATOM 391 N ALA A 28 5.308 3.425 6.897 1.00 0.00 N ATOM 392 CA ALA A 28 5.636 2.014 7.098 1.00 0.00 C ATOM 393 C ALA A 28 6.497 1.450 5.951 1.00 0.00 C ATOM 394 O ALA A 28 7.487 0.758 6.195 1.00 0.00 O ATOM 395 CB ALA A 28 4.324 1.238 7.260 1.00 0.00 C ATOM 0 H ALA A 28 4.318 3.589 6.715 1.00 0.00 H new ATOM 0 HA ALA A 28 6.241 1.907 7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.543 0.181 7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.778 1.623 8.121 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.717 1.358 6.363 1.00 0.00 H new ATOM 401 N PHE A 29 6.176 1.789 4.698 1.00 0.00 N ATOM 402 CA PHE A 29 6.958 1.376 3.526 1.00 0.00 C ATOM 403 C PHE A 29 8.281 2.154 3.392 1.00 0.00 C ATOM 404 O PHE A 29 9.259 1.606 2.876 1.00 0.00 O ATOM 405 CB PHE A 29 6.086 1.454 2.263 1.00 0.00 C ATOM 406 CG PHE A 29 5.178 0.246 2.073 1.00 0.00 C ATOM 407 CD1 PHE A 29 4.050 0.045 2.895 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.482 -0.707 1.083 1.00 0.00 C ATOM 409 CE1 PHE A 29 3.248 -1.098 2.729 1.00 0.00 C ATOM 410 CE2 PHE A 29 4.681 -1.849 0.913 1.00 0.00 C ATOM 411 CZ PHE A 29 3.566 -2.046 1.742 1.00 0.00 C ATOM 0 H PHE A 29 5.363 2.360 4.466 1.00 0.00 H new ATOM 0 HA PHE A 29 7.258 0.337 3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.474 2.354 2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.732 1.553 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.801 0.771 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.342 -0.559 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.386 -1.248 3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.922 -2.572 0.148 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.952 -2.926 1.621 1.00 0.00 H new ATOM 421 N SER A 30 8.380 3.368 3.953 1.00 0.00 N ATOM 422 CA SER A 30 9.648 4.116 3.998 1.00 0.00 C ATOM 423 C SER A 30 10.751 3.397 4.795 1.00 0.00 C ATOM 424 O SER A 30 11.933 3.682 4.615 1.00 0.00 O ATOM 425 CB SER A 30 9.467 5.546 4.517 1.00 0.00 C ATOM 426 OG SER A 30 8.724 6.314 3.587 1.00 0.00 O ATOM 0 H SER A 30 7.594 3.856 4.384 1.00 0.00 H new ATOM 0 HA SER A 30 9.978 4.168 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.954 5.529 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.441 6.006 4.684 1.00 0.00 H new ATOM 0 HG SER A 30 7.790 6.367 3.879 1.00 0.00 H new ATOM 432 N SER A 31 10.402 2.421 5.644 1.00 0.00 N ATOM 433 CA SER A 31 11.361 1.516 6.303 1.00 0.00 C ATOM 434 C SER A 31 12.241 0.721 5.309 1.00 0.00 C ATOM 435 O SER A 31 13.322 0.264 5.678 1.00 0.00 O ATOM 436 CB SER A 31 10.578 0.568 7.223 1.00 0.00 C ATOM 437 OG SER A 31 11.432 -0.186 8.062 1.00 0.00 O ATOM 0 H SER A 31 9.432 2.233 5.898 1.00 0.00 H new ATOM 0 HA SER A 31 12.057 2.125 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.887 1.147 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.976 -0.109 6.617 1.00 0.00 H new ATOM 0 HG SER A 31 10.894 -0.775 8.632 1.00 0.00 H new ATOM 443 N PHE A 32 11.811 0.564 4.048 1.00 0.00 N ATOM 444 CA PHE A 32 12.582 -0.095 2.982 1.00 0.00 C ATOM 445 C PHE A 32 13.322 0.855 2.022 1.00 0.00 C ATOM 446 O PHE A 32 14.402 0.502 1.539 1.00 0.00 O ATOM 447 CB PHE A 32 11.660 -1.059 2.226 1.00 0.00 C ATOM 448 CG PHE A 32 11.152 -2.191 3.098 1.00 0.00 C ATOM 449 CD1 PHE A 32 11.964 -3.319 3.312 1.00 0.00 C ATOM 450 CD2 PHE A 32 9.896 -2.104 3.727 1.00 0.00 C ATOM 451 CE1 PHE A 32 11.513 -4.370 4.128 1.00 0.00 C ATOM 452 CE2 PHE A 32 9.449 -3.153 4.552 1.00 0.00 C ATOM 453 CZ PHE A 32 10.251 -4.292 4.741 1.00 0.00 C ATOM 0 H PHE A 32 10.900 0.898 3.734 1.00 0.00 H new ATOM 0 HA PHE A 32 13.388 -0.640 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.811 -0.504 1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.197 -1.476 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.937 -3.378 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.276 -1.233 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.136 -5.238 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.488 -3.083 5.041 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.898 -5.106 5.357 1.00 0.00 H new ATOM 463 N GLY A 33 12.774 2.037 1.722 1.00 0.00 N ATOM 464 CA GLY A 33 13.340 2.975 0.735 1.00 0.00 C ATOM 465 C GLY A 33 12.533 4.271 0.605 1.00 0.00 C ATOM 466 O GLY A 33 11.716 4.574 1.471 1.00 0.00 O ATOM 0 H GLY A 33 11.917 2.377 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.364 3.219 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.388 2.485 -0.237 1.00 0.00 H new ATOM 470 N GLU A 34 12.753 5.057 -0.450 1.00 0.00 N ATOM 471 CA GLU A 34 12.000 6.301 -0.700 1.00 0.00 C ATOM 472 C GLU A 34 10.767 6.087 -1.599 1.00 0.00 C ATOM 473 O GLU A 34 10.778 5.273 -2.526 1.00 0.00 O ATOM 474 CB GLU A 34 12.934 7.402 -1.232 1.00 0.00 C ATOM 475 CG GLU A 34 12.262 8.779 -1.365 1.00 0.00 C ATOM 476 CD GLU A 34 11.750 9.315 -0.020 1.00 0.00 C ATOM 477 OE1 GLU A 34 12.553 9.925 0.727 1.00 0.00 O ATOM 478 OE2 GLU A 34 10.565 9.083 0.328 1.00 0.00 O ATOM 0 H GLU A 34 13.457 4.855 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 34 11.601 6.637 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.792 7.490 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.317 7.100 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.974 9.488 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.429 8.707 -2.065 1.00 0.00 H new ATOM 485 N ILE A 35 9.708 6.850 -1.314 1.00 0.00 N ATOM 486 CA ILE A 35 8.395 6.772 -1.961 1.00 0.00 C ATOM 487 C ILE A 35 8.246 7.806 -3.082 1.00 0.00 C ATOM 488 O ILE A 35 8.658 8.963 -2.959 1.00 0.00 O ATOM 489 CB ILE A 35 7.283 6.884 -0.887 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.282 5.661 0.059 1.00 0.00 C ATOM 491 CG2 ILE A 35 5.869 7.090 -1.469 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.104 4.312 -0.651 1.00 0.00 C ATOM 0 H ILE A 35 9.744 7.571 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 35 8.297 5.802 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 35 7.529 7.783 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.220 5.645 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.482 5.782 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.147 7.159 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.846 8.010 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.613 6.247 -2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.115 3.509 0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.153 4.304 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.918 4.164 -1.361 1.00 0.00 H new ATOM 504 N LEU A 36 7.597 7.381 -4.166 1.00 0.00 N ATOM 505 CA LEU A 36 7.130 8.240 -5.254 1.00 0.00 C ATOM 506 C LEU A 36 5.660 8.647 -5.066 1.00 0.00 C ATOM 507 O LEU A 36 5.322 9.812 -5.282 1.00 0.00 O ATOM 508 CB LEU A 36 7.334 7.527 -6.606 1.00 0.00 C ATOM 509 CG LEU A 36 8.774 7.096 -6.932 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.807 6.494 -8.334 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.790 8.238 -6.892 1.00 0.00 C ATOM 0 H LEU A 36 7.375 6.397 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 36 7.720 9.157 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.698 6.642 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.986 8.189 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 36 9.057 6.379 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.825 6.186 -8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.146 5.628 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.474 7.238 -9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.781 7.852 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.510 9.000 -7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.804 8.677 -5.895 1.00 0.00 H new ATOM 523 N ASP A 37 4.782 7.717 -4.663 1.00 0.00 N ATOM 524 CA ASP A 37 3.341 7.975 -4.469 1.00 0.00 C ATOM 525 C ASP A 37 2.602 6.820 -3.773 1.00 0.00 C ATOM 526 O ASP A 37 3.047 5.669 -3.792 1.00 0.00 O ATOM 527 CB ASP A 37 2.629 8.308 -5.799 1.00 0.00 C ATOM 528 CG ASP A 37 2.936 7.372 -6.966 1.00 0.00 C ATOM 529 OD1 ASP A 37 2.382 6.253 -7.027 1.00 0.00 O ATOM 530 OD2 ASP A 37 3.671 7.786 -7.893 1.00 0.00 O ATOM 0 H ASP A 37 5.051 6.754 -4.460 1.00 0.00 H new ATOM 0 HA ASP A 37 3.299 8.842 -3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.553 8.302 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.899 9.323 -6.090 1.00 0.00 H new ATOM 535 N ALA A 38 1.441 7.122 -3.185 1.00 0.00 N ATOM 536 CA ALA A 38 0.521 6.159 -2.582 1.00 0.00 C ATOM 537 C ALA A 38 -0.958 6.569 -2.775 1.00 0.00 C ATOM 538 O ALA A 38 -1.277 7.752 -2.944 1.00 0.00 O ATOM 539 CB ALA A 38 0.916 5.946 -1.114 1.00 0.00 C ATOM 0 H ALA A 38 1.105 8.082 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 38 0.606 5.200 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.236 5.229 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.935 5.563 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.858 6.895 -0.580 1.00 0.00 H new ATOM 545 N LYS A 39 -1.862 5.582 -2.809 1.00 0.00 N ATOM 546 CA LYS A 39 -3.320 5.738 -3.002 1.00 0.00 C ATOM 547 C LYS A 39 -4.091 5.211 -1.792 1.00 0.00 C ATOM 548 O LYS A 39 -3.720 4.181 -1.240 1.00 0.00 O ATOM 549 CB LYS A 39 -3.754 4.998 -4.291 1.00 0.00 C ATOM 550 CG LYS A 39 -5.259 5.043 -4.648 1.00 0.00 C ATOM 551 CD LYS A 39 -5.716 6.476 -4.966 1.00 0.00 C ATOM 552 CE LYS A 39 -7.186 6.522 -5.396 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.604 7.912 -5.689 1.00 0.00 N ATOM 0 H LYS A 39 -1.590 4.605 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.550 6.799 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.194 5.416 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.458 3.953 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.451 4.399 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.844 4.649 -3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.574 7.106 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.092 6.889 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.331 5.900 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.814 6.107 -4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.603 7.920 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.485 8.497 -4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.018 8.296 -6.457 1.00 0.00 H new ATOM 567 N ILE A 40 -5.207 5.854 -1.457 1.00 0.00 N ATOM 568 CA ILE A 40 -6.277 5.316 -0.607 1.00 0.00 C ATOM 569 C ILE A 40 -7.588 5.289 -1.410 1.00 0.00 C ATOM 570 O ILE A 40 -7.837 6.183 -2.224 1.00 0.00 O ATOM 571 CB ILE A 40 -6.364 6.147 0.700 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.766 5.330 1.944 1.00 0.00 C ATOM 573 CG2 ILE A 40 -7.233 7.413 0.587 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.096 4.567 1.938 1.00 0.00 C ATOM 0 H ILE A 40 -5.403 6.801 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.068 4.289 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.334 6.473 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.973 4.606 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.783 6.012 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.241 7.936 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.823 8.068 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.252 7.132 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.222 4.047 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.918 5.269 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.095 3.841 1.125 1.00 0.00 H new ATOM 586 N ILE A 41 -8.447 4.294 -1.178 1.00 0.00 N ATOM 587 CA ILE A 41 -9.858 4.343 -1.595 1.00 0.00 C ATOM 588 C ILE A 41 -10.821 4.243 -0.397 1.00 0.00 C ATOM 589 O ILE A 41 -10.968 3.210 0.264 1.00 0.00 O ATOM 590 CB ILE A 41 -10.153 3.378 -2.763 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.653 3.307 -3.127 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.547 1.987 -2.521 1.00 0.00 C ATOM 593 CD1 ILE A 41 -12.257 4.654 -3.552 1.00 0.00 C ATOM 0 H ILE A 41 -8.189 3.432 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.052 5.332 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.657 3.798 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.786 2.589 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.207 2.927 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.777 1.338 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.466 2.075 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.968 1.560 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.312 4.520 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.158 5.371 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.731 5.028 -4.430 1.00 0.00 H new ATOM 715 N SER A 49 -15.766 2.687 2.467 1.00 0.00 N ATOM 716 CA SER A 49 -14.386 2.510 2.947 1.00 0.00 C ATOM 717 C SER A 49 -13.892 1.147 2.456 1.00 0.00 C ATOM 718 O SER A 49 -14.299 0.109 2.985 1.00 0.00 O ATOM 719 CB SER A 49 -14.275 2.679 4.474 1.00 0.00 C ATOM 720 OG SER A 49 -14.941 3.861 4.875 1.00 0.00 O ATOM 0 HA SER A 49 -13.744 3.291 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.711 1.816 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.227 2.723 4.769 1.00 0.00 H new ATOM 0 HG SER A 49 -15.610 4.104 4.202 1.00 0.00 H new ATOM 726 N ARG A 50 -13.105 1.133 1.369 1.00 0.00 N ATOM 727 CA ARG A 50 -12.648 -0.105 0.707 1.00 0.00 C ATOM 728 C ARG A 50 -11.477 -0.759 1.438 1.00 0.00 C ATOM 729 O ARG A 50 -11.332 -1.978 1.382 1.00 0.00 O ATOM 730 CB ARG A 50 -12.272 0.186 -0.756 1.00 0.00 C ATOM 731 CG ARG A 50 -13.452 0.348 -1.729 1.00 0.00 C ATOM 732 CD ARG A 50 -14.058 -0.995 -2.148 1.00 0.00 C ATOM 733 NE ARG A 50 -15.050 -1.510 -1.184 1.00 0.00 N ATOM 734 CZ ARG A 50 -16.367 -1.474 -1.292 1.00 0.00 C ATOM 735 NH1 ARG A 50 -16.998 -0.986 -2.321 1.00 0.00 N ATOM 736 NH2 ARG A 50 -17.088 -1.936 -0.320 1.00 0.00 N ATOM 0 H ARG A 50 -12.764 1.983 0.920 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.476 -0.813 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.674 1.097 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.637 -0.623 -1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.223 0.960 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.115 0.883 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.532 -0.884 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.259 -1.727 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.677 -1.943 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.473 -0.601 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.018 -0.988 -2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.638 -2.319 0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.106 -1.916 -0.386 1.00 0.00 H new ATOM 750 N GLY A 51 -10.669 0.042 2.132 1.00 0.00 N ATOM 751 CA GLY A 51 -9.610 -0.441 3.021 1.00 0.00 C ATOM 752 C GLY A 51 -8.349 -0.945 2.308 1.00 0.00 C ATOM 753 O GLY A 51 -7.591 -1.744 2.861 1.00 0.00 O ATOM 0 H GLY A 51 -10.732 1.059 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.329 0.365 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.010 -1.248 3.634 1.00 0.00 H new ATOM 757 N PHE A 52 -8.113 -0.491 1.079 1.00 0.00 N ATOM 758 CA PHE A 52 -6.944 -0.842 0.276 1.00 0.00 C ATOM 759 C PHE A 52 -6.415 0.352 -0.529 1.00 0.00 C ATOM 760 O PHE A 52 -7.010 1.436 -0.538 1.00 0.00 O ATOM 761 CB PHE A 52 -7.229 -2.089 -0.586 1.00 0.00 C ATOM 762 CG PHE A 52 -8.437 -2.068 -1.511 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.414 -1.316 -2.702 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.545 -2.895 -1.239 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.486 -1.391 -3.610 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.616 -2.970 -2.149 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.590 -2.215 -3.333 1.00 0.00 C ATOM 0 H PHE A 52 -8.747 0.149 0.601 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.132 -1.108 0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.346 -2.279 -1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.341 -2.939 0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.569 -0.679 -2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.572 -3.474 -0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.460 -0.814 -4.522 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.460 -3.610 -1.936 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.415 -2.268 -4.028 1.00 0.00 H new ATOM 777 N GLY A 53 -5.261 0.158 -1.163 1.00 0.00 N ATOM 778 CA GLY A 53 -4.515 1.198 -1.856 1.00 0.00 C ATOM 779 C GLY A 53 -3.332 0.667 -2.667 1.00 0.00 C ATOM 780 O GLY A 53 -3.098 -0.539 -2.740 1.00 0.00 O ATOM 0 H GLY A 53 -4.808 -0.755 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.190 1.734 -2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.149 1.919 -1.125 1.00 0.00 H new ATOM 784 N PHE A 54 -2.590 1.590 -3.277 1.00 0.00 N ATOM 785 CA PHE A 54 -1.293 1.343 -3.918 1.00 0.00 C ATOM 786 C PHE A 54 -0.160 2.109 -3.215 1.00 0.00 C ATOM 787 O PHE A 54 -0.417 3.113 -2.549 1.00 0.00 O ATOM 788 CB PHE A 54 -1.380 1.669 -5.419 1.00 0.00 C ATOM 789 CG PHE A 54 -2.366 0.796 -6.177 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.018 -0.527 -6.512 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.638 1.287 -6.526 1.00 0.00 C ATOM 792 CE1 PHE A 54 -2.934 -1.353 -7.190 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.558 0.456 -7.190 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.207 -0.863 -7.524 1.00 0.00 C ATOM 0 H PHE A 54 -2.883 2.565 -3.342 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.048 0.285 -3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.666 2.714 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.391 1.556 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.043 -0.910 -6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.908 2.304 -6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.658 -2.363 -7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.538 0.833 -7.444 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.914 -1.498 -8.036 1.00 0.00 H new ATOM 804 N VAL A 55 1.089 1.670 -3.391 1.00 0.00 N ATOM 805 CA VAL A 55 2.313 2.353 -2.935 1.00 0.00 C ATOM 806 C VAL A 55 3.464 2.126 -3.931 1.00 0.00 C ATOM 807 O VAL A 55 3.571 1.048 -4.517 1.00 0.00 O ATOM 808 CB VAL A 55 2.658 1.933 -1.489 1.00 0.00 C ATOM 809 CG1 VAL A 55 2.915 0.431 -1.323 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.858 2.704 -0.929 1.00 0.00 C ATOM 0 H VAL A 55 1.288 0.794 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 55 2.141 3.429 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 55 1.763 2.185 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.151 0.215 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.025 -0.125 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.753 0.133 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.060 2.373 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.733 2.518 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.636 3.771 -0.926 1.00 0.00 H new ATOM 820 N SER A 56 4.292 3.150 -4.162 1.00 0.00 N ATOM 821 CA SER A 56 5.284 3.221 -5.250 1.00 0.00 C ATOM 822 C SER A 56 6.660 3.704 -4.774 1.00 0.00 C ATOM 823 O SER A 56 6.736 4.665 -4.005 1.00 0.00 O ATOM 824 CB SER A 56 4.763 4.171 -6.332 1.00 0.00 C ATOM 825 OG SER A 56 5.505 4.002 -7.517 1.00 0.00 O ATOM 0 H SER A 56 4.293 3.985 -3.577 1.00 0.00 H new ATOM 0 HA SER A 56 5.416 2.211 -5.639 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.708 3.975 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.839 5.203 -5.989 1.00 0.00 H new ATOM 0 HG SER A 56 5.165 4.611 -8.205 1.00 0.00 H new ATOM 831 N PHE A 57 7.742 3.077 -5.247 1.00 0.00 N ATOM 832 CA PHE A 57 9.131 3.284 -4.805 1.00 0.00 C ATOM 833 C PHE A 57 10.046 3.890 -5.882 1.00 0.00 C ATOM 834 O PHE A 57 9.879 3.659 -7.083 1.00 0.00 O ATOM 835 CB PHE A 57 9.741 1.945 -4.362 1.00 0.00 C ATOM 836 CG PHE A 57 9.336 1.445 -2.993 1.00 0.00 C ATOM 837 CD1 PHE A 57 9.994 1.935 -1.849 1.00 0.00 C ATOM 838 CD2 PHE A 57 8.370 0.431 -2.866 1.00 0.00 C ATOM 839 CE1 PHE A 57 9.706 1.395 -0.584 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.096 -0.122 -1.603 1.00 0.00 C ATOM 841 CZ PHE A 57 8.774 0.352 -0.464 1.00 0.00 C ATOM 0 H PHE A 57 7.673 2.376 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 57 9.075 3.997 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.472 1.186 -5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.827 2.039 -4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.722 2.727 -1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.839 0.078 -3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 57 10.201 1.782 0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.365 -0.911 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.577 -0.087 0.503 1.00 0.00 H new ATOM 851 N SER A 58 11.101 4.588 -5.441 1.00 0.00 N ATOM 852 CA SER A 58 12.175 5.081 -6.321 1.00 0.00 C ATOM 853 C SER A 58 13.153 3.991 -6.801 1.00 0.00 C ATOM 854 O SER A 58 13.955 4.257 -7.704 1.00 0.00 O ATOM 855 CB SER A 58 12.943 6.224 -5.642 1.00 0.00 C ATOM 856 OG SER A 58 13.704 5.750 -4.546 1.00 0.00 O ATOM 0 H SER A 58 11.236 4.829 -4.459 1.00 0.00 H new ATOM 0 HA SER A 58 11.675 5.447 -7.218 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.602 6.703 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.241 6.984 -5.299 1.00 0.00 H new ATOM 0 HG SER A 58 14.184 6.498 -4.133 1.00 0.00 H new ATOM 862 N ASN A 59 13.087 2.777 -6.233 1.00 0.00 N ATOM 863 CA ASN A 59 13.952 1.627 -6.532 1.00 0.00 C ATOM 864 C ASN A 59 13.206 0.279 -6.471 1.00 0.00 C ATOM 865 O ASN A 59 12.223 0.121 -5.747 1.00 0.00 O ATOM 866 CB ASN A 59 15.112 1.578 -5.524 1.00 0.00 C ATOM 867 CG ASN A 59 16.103 2.711 -5.652 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.226 3.558 -4.774 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.865 2.736 -6.719 1.00 0.00 N ATOM 0 H ASN A 59 12.394 2.561 -5.517 1.00 0.00 H new ATOM 0 HA ASN A 59 14.313 1.767 -7.551 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.700 1.585 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.642 0.633 -5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.570 3.466 -6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.753 2.026 -7.442 1.00 0.00 H new ATOM 876 N GLU A 60 13.739 -0.720 -7.176 1.00 0.00 N ATOM 877 CA GLU A 60 13.183 -2.077 -7.261 1.00 0.00 C ATOM 878 C GLU A 60 13.452 -2.923 -6.010 1.00 0.00 C ATOM 879 O GLU A 60 12.564 -3.630 -5.533 1.00 0.00 O ATOM 880 CB GLU A 60 13.778 -2.783 -8.491 1.00 0.00 C ATOM 881 CG GLU A 60 13.045 -4.090 -8.830 1.00 0.00 C ATOM 882 CD GLU A 60 13.428 -4.622 -10.216 1.00 0.00 C ATOM 883 OE1 GLU A 60 14.639 -4.746 -10.524 1.00 0.00 O ATOM 884 OE2 GLU A 60 12.511 -4.931 -11.015 1.00 0.00 O ATOM 0 H GLU A 60 14.594 -0.607 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 60 12.101 -1.977 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.733 -2.112 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.831 -2.997 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.278 -4.842 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.969 -3.922 -8.791 1.00 0.00 H new ATOM 891 N GLN A 61 14.672 -2.870 -5.464 1.00 0.00 N ATOM 892 CA GLN A 61 15.071 -3.766 -4.375 1.00 0.00 C ATOM 893 C GLN A 61 14.343 -3.432 -3.062 1.00 0.00 C ATOM 894 O GLN A 61 13.909 -4.351 -2.368 1.00 0.00 O ATOM 895 CB GLN A 61 16.602 -3.757 -4.260 1.00 0.00 C ATOM 896 CG GLN A 61 17.167 -4.784 -3.268 1.00 0.00 C ATOM 897 CD GLN A 61 16.760 -6.210 -3.601 1.00 0.00 C ATOM 898 OE1 GLN A 61 17.049 -6.726 -4.673 1.00 0.00 O ATOM 899 NE2 GLN A 61 16.058 -6.882 -2.720 1.00 0.00 N ATOM 0 H GLN A 61 15.398 -2.217 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 61 14.763 -4.787 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.030 -3.947 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.926 -2.761 -3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.255 -4.714 -3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.824 -4.538 -2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.816 -6.454 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.754 -7.833 -2.928 1.00 0.00 H new ATOM 908 N ALA A 62 14.096 -2.148 -2.781 1.00 0.00 N ATOM 909 CA ALA A 62 13.215 -1.706 -1.699 1.00 0.00 C ATOM 910 C ALA A 62 11.781 -2.259 -1.836 1.00 0.00 C ATOM 911 O ALA A 62 11.224 -2.751 -0.856 1.00 0.00 O ATOM 912 CB ALA A 62 13.215 -0.172 -1.670 1.00 0.00 C ATOM 0 H ALA A 62 14.509 -1.378 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 62 13.596 -2.101 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.563 0.177 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.229 0.189 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.853 0.210 -2.625 1.00 0.00 H new ATOM 918 N MET A 63 11.202 -2.252 -3.046 1.00 0.00 N ATOM 919 CA MET A 63 9.878 -2.840 -3.302 1.00 0.00 C ATOM 920 C MET A 63 9.868 -4.354 -3.045 1.00 0.00 C ATOM 921 O MET A 63 8.938 -4.873 -2.430 1.00 0.00 O ATOM 922 CB MET A 63 9.439 -2.530 -4.746 1.00 0.00 C ATOM 923 CG MET A 63 8.013 -3.024 -5.046 1.00 0.00 C ATOM 924 SD MET A 63 7.520 -3.011 -6.792 1.00 0.00 S ATOM 925 CE MET A 63 8.624 -4.272 -7.493 1.00 0.00 C ATOM 0 H MET A 63 11.636 -1.840 -3.872 1.00 0.00 H new ATOM 0 HA MET A 63 9.168 -2.391 -2.607 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.491 -1.454 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.136 -2.996 -5.442 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.915 -4.042 -4.669 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.310 -2.407 -4.486 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.274 -4.550 -8.487 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.635 -3.872 -7.563 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.626 -5.152 -6.850 1.00 0.00 H new ATOM 935 N GLN A 64 10.901 -5.074 -3.486 1.00 0.00 N ATOM 936 CA GLN A 64 10.961 -6.531 -3.349 1.00 0.00 C ATOM 937 C GLN A 64 11.210 -6.965 -1.898 1.00 0.00 C ATOM 938 O GLN A 64 10.534 -7.880 -1.422 1.00 0.00 O ATOM 939 CB GLN A 64 12.034 -7.112 -4.269 1.00 0.00 C ATOM 940 CG GLN A 64 11.670 -7.041 -5.762 1.00 0.00 C ATOM 941 CD GLN A 64 12.759 -7.621 -6.664 1.00 0.00 C ATOM 942 OE1 GLN A 64 13.888 -7.881 -6.262 1.00 0.00 O ATOM 943 NE2 GLN A 64 12.483 -7.844 -7.926 1.00 0.00 N ATOM 0 H GLN A 64 11.715 -4.667 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 64 9.988 -6.923 -3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.969 -6.577 -4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.210 -8.152 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.739 -7.582 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.490 -6.002 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.552 -7.637 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.199 -8.224 -8.545 1.00 0.00 H new ATOM 952 N ASP A 65 12.114 -6.284 -1.184 1.00 0.00 N ATOM 953 CA ASP A 65 12.329 -6.490 0.252 1.00 0.00 C ATOM 954 C ASP A 65 11.068 -6.170 1.067 1.00 0.00 C ATOM 955 O ASP A 65 10.783 -6.883 2.034 1.00 0.00 O ATOM 956 CB ASP A 65 13.509 -5.637 0.754 1.00 0.00 C ATOM 957 CG ASP A 65 14.876 -6.285 0.531 1.00 0.00 C ATOM 958 OD1 ASP A 65 15.036 -7.478 0.891 1.00 0.00 O ATOM 959 OD2 ASP A 65 15.833 -5.579 0.119 1.00 0.00 O ATOM 0 H ASP A 65 12.720 -5.571 -1.589 1.00 0.00 H new ATOM 0 HA ASP A 65 12.565 -7.545 0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.488 -4.671 0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.378 -5.443 1.819 1.00 0.00 H new ATOM 964 N ALA A 66 10.275 -5.170 0.657 1.00 0.00 N ATOM 965 CA ALA A 66 8.992 -4.888 1.273 1.00 0.00 C ATOM 966 C ALA A 66 8.023 -6.063 1.076 1.00 0.00 C ATOM 967 O ALA A 66 7.603 -6.669 2.056 1.00 0.00 O ATOM 968 CB ALA A 66 8.469 -3.556 0.727 1.00 0.00 C ATOM 0 H ALA A 66 10.514 -4.541 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 66 9.097 -4.781 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.504 -3.330 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.177 -2.762 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.353 -3.626 -0.355 1.00 0.00 H new ATOM 974 N ILE A 67 7.724 -6.459 -0.166 1.00 0.00 N ATOM 975 CA ILE A 67 6.864 -7.618 -0.496 1.00 0.00 C ATOM 976 C ILE A 67 7.285 -8.905 0.248 1.00 0.00 C ATOM 977 O ILE A 67 6.419 -9.606 0.793 1.00 0.00 O ATOM 978 CB ILE A 67 6.823 -7.808 -2.034 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.113 -6.639 -2.762 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.169 -9.135 -2.457 1.00 0.00 C ATOM 981 CD1 ILE A 67 4.619 -6.468 -2.458 1.00 0.00 C ATOM 0 H ILE A 67 8.077 -5.977 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 67 5.854 -7.407 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 67 7.870 -7.826 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.625 -5.712 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.231 -6.780 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.170 -9.211 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.731 -9.968 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.143 -9.167 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.228 -5.621 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.083 -7.373 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.483 -6.288 -1.392 1.00 0.00 H new ATOM 993 N GLU A 68 8.592 -9.187 0.353 1.00 0.00 N ATOM 994 CA GLU A 68 9.135 -10.365 1.061 1.00 0.00 C ATOM 995 C GLU A 68 8.908 -10.363 2.590 1.00 0.00 C ATOM 996 O GLU A 68 9.001 -11.426 3.214 1.00 0.00 O ATOM 997 CB GLU A 68 10.628 -10.539 0.709 1.00 0.00 C ATOM 998 CG GLU A 68 11.159 -11.939 1.058 1.00 0.00 C ATOM 999 CD GLU A 68 12.569 -12.177 0.516 1.00 0.00 C ATOM 1000 OE1 GLU A 68 13.549 -11.666 1.110 1.00 0.00 O ATOM 1001 OE2 GLU A 68 12.733 -12.916 -0.483 1.00 0.00 O ATOM 0 H GLU A 68 9.316 -8.596 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 68 8.567 -11.225 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.770 -10.356 -0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.213 -9.789 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.163 -12.064 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.484 -12.693 0.652 1.00 0.00 H new ATOM 1008 N GLY A 69 8.553 -9.219 3.191 1.00 0.00 N ATOM 1009 CA GLY A 69 8.107 -9.107 4.590 1.00 0.00 C ATOM 1010 C GLY A 69 6.647 -8.677 4.787 1.00 0.00 C ATOM 1011 O GLY A 69 6.101 -8.842 5.877 1.00 0.00 O ATOM 0 H GLY A 69 8.568 -8.322 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.252 -10.071 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.750 -8.391 5.102 1.00 0.00 H new ATOM 1015 N MET A 70 5.995 -8.123 3.763 1.00 0.00 N ATOM 1016 CA MET A 70 4.673 -7.502 3.875 1.00 0.00 C ATOM 1017 C MET A 70 3.510 -8.490 3.946 1.00 0.00 C ATOM 1018 O MET A 70 2.497 -8.139 4.544 1.00 0.00 O ATOM 1019 CB MET A 70 4.457 -6.501 2.732 1.00 0.00 C ATOM 1020 CG MET A 70 5.081 -5.139 3.053 1.00 0.00 C ATOM 1021 SD MET A 70 4.196 -4.219 4.344 1.00 0.00 S ATOM 1022 CE MET A 70 5.391 -2.895 4.651 1.00 0.00 C ATOM 0 H MET A 70 6.376 -8.093 2.817 1.00 0.00 H new ATOM 0 HA MET A 70 4.672 -6.984 4.834 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.894 -6.895 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.389 -6.379 2.550 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.114 -5.287 3.368 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.108 -4.538 2.144 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.943 -2.145 5.303 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.278 -3.309 5.130 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.673 -2.432 3.705 1.00 0.00 H new ATOM 1032 N ASN A 71 3.621 -9.711 3.404 1.00 0.00 N ATOM 1033 CA ASN A 71 2.562 -10.724 3.568 1.00 0.00 C ATOM 1034 C ASN A 71 2.305 -11.015 5.069 1.00 0.00 C ATOM 1035 O ASN A 71 3.081 -11.728 5.722 1.00 0.00 O ATOM 1036 CB ASN A 71 2.917 -11.993 2.760 1.00 0.00 C ATOM 1037 CG ASN A 71 1.773 -12.987 2.607 1.00 0.00 C ATOM 1038 OD1 ASN A 71 0.682 -12.832 3.143 1.00 0.00 O ATOM 1039 ND2 ASN A 71 1.976 -14.021 1.825 1.00 0.00 N ATOM 0 H ASN A 71 4.422 -10.021 2.854 1.00 0.00 H new ATOM 0 HA ASN A 71 1.625 -10.338 3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.256 -11.694 1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.754 -12.494 3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.226 -14.694 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.883 -14.152 1.378 1.00 0.00 H new ATOM 1046 N GLY A 72 1.239 -10.426 5.623 1.00 0.00 N ATOM 1047 CA GLY A 72 0.843 -10.521 7.034 1.00 0.00 C ATOM 1048 C GLY A 72 1.427 -9.471 7.998 1.00 0.00 C ATOM 1049 O GLY A 72 1.220 -9.611 9.204 1.00 0.00 O ATOM 0 H GLY A 72 0.602 -9.846 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.244 -10.460 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.124 -11.509 7.399 1.00 0.00 H new ATOM 1053 N LYS A 73 2.145 -8.431 7.536 1.00 0.00 N ATOM 1054 CA LYS A 73 2.764 -7.423 8.434 1.00 0.00 C ATOM 1055 C LYS A 73 1.725 -6.508 9.099 1.00 0.00 C ATOM 1056 O LYS A 73 0.750 -6.111 8.468 1.00 0.00 O ATOM 1057 CB LYS A 73 3.850 -6.613 7.701 1.00 0.00 C ATOM 1058 CG LYS A 73 4.774 -5.884 8.694 1.00 0.00 C ATOM 1059 CD LYS A 73 5.989 -5.236 8.018 1.00 0.00 C ATOM 1060 CE LYS A 73 6.868 -4.583 9.094 1.00 0.00 C ATOM 1061 NZ LYS A 73 8.156 -4.099 8.549 1.00 0.00 N ATOM 0 H LYS A 73 2.314 -8.261 6.545 1.00 0.00 H new ATOM 0 HA LYS A 73 3.247 -7.974 9.240 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.442 -7.279 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.379 -5.886 7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.203 -5.116 9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.119 -6.592 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.559 -5.986 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.664 -4.490 7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.329 -3.748 9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.060 -5.303 9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.715 -3.666 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.684 -4.898 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.976 -3.392 7.808 1.00 0.00 H new ATOM 1075 N GLU A 74 1.922 -6.160 10.368 1.00 0.00 N ATOM 1076 CA GLU A 74 0.942 -5.409 11.166 1.00 0.00 C ATOM 1077 C GLU A 74 1.045 -3.877 10.986 1.00 0.00 C ATOM 1078 O GLU A 74 1.840 -3.204 11.654 1.00 0.00 O ATOM 1079 CB GLU A 74 1.101 -5.836 12.631 1.00 0.00 C ATOM 1080 CG GLU A 74 -0.030 -5.288 13.507 1.00 0.00 C ATOM 1081 CD GLU A 74 0.229 -5.545 14.992 1.00 0.00 C ATOM 1082 OE1 GLU A 74 1.365 -5.322 15.468 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -0.733 -5.875 15.725 1.00 0.00 O ATOM 0 H GLU A 74 2.773 -6.391 10.881 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.060 -5.651 10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.115 -6.924 12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.060 -5.483 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.136 -4.217 13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.973 -5.752 13.216 1.00 0.00 H new ATOM 1090 N LEU A 75 0.207 -3.302 10.114 1.00 0.00 N ATOM 1091 CA LEU A 75 0.157 -1.860 9.815 1.00 0.00 C ATOM 1092 C LEU A 75 -1.139 -1.225 10.343 1.00 0.00 C ATOM 1093 O LEU A 75 -2.248 -1.673 10.041 1.00 0.00 O ATOM 1094 CB LEU A 75 0.329 -1.627 8.302 1.00 0.00 C ATOM 1095 CG LEU A 75 1.791 -1.448 7.842 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.671 -2.668 8.097 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.845 -1.164 6.342 1.00 0.00 C ATOM 0 H LEU A 75 -0.476 -3.840 9.580 1.00 0.00 H new ATOM 0 HA LEU A 75 0.983 -1.370 10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.106 -2.471 7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.239 -0.741 8.017 1.00 0.00 H new ATOM 0 HG LEU A 75 2.174 -0.615 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.683 -2.466 7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.693 -2.884 9.165 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.267 -3.527 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.883 -1.040 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.401 -1.997 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.290 -0.252 6.124 1.00 0.00 H new ATOM 1109 N ASP A 76 -0.995 -0.172 11.148 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.079 0.464 11.921 1.00 0.00 C ATOM 1111 C ASP A 76 -2.942 -0.546 12.713 1.00 0.00 C ATOM 1112 O ASP A 76 -4.166 -0.412 12.819 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.876 1.440 11.033 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.825 2.353 11.826 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.422 2.879 12.887 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.980 2.585 11.382 1.00 0.00 O ATOM 0 H ASP A 76 -0.093 0.282 11.289 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.624 1.067 12.707 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.178 2.058 10.468 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.455 0.869 10.308 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.297 -1.590 13.239 1.00 0.00 N ATOM 1122 CA GLY A 77 -2.904 -2.678 14.016 1.00 0.00 C ATOM 1123 C GLY A 77 -3.491 -3.825 13.184 1.00 0.00 C ATOM 1124 O GLY A 77 -4.019 -4.778 13.765 1.00 0.00 O ATOM 0 H GLY A 77 -1.290 -1.707 13.131 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.150 -3.087 14.689 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.695 -2.261 14.639 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.401 -3.760 11.847 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.050 -4.675 10.890 1.00 0.00 C ATOM 1130 C ARG A 78 -3.026 -5.419 10.031 1.00 0.00 C ATOM 1131 O ARG A 78 -2.217 -4.801 9.338 1.00 0.00 O ATOM 1132 CB ARG A 78 -4.998 -3.861 9.990 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.182 -3.205 10.721 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.323 -4.193 10.977 1.00 0.00 C ATOM 1135 NE ARG A 78 -8.094 -4.427 9.744 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.070 -5.298 9.585 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -9.444 -6.125 10.518 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -9.712 -5.329 8.462 1.00 0.00 N ATOM 0 H ARG A 78 -2.851 -3.038 11.381 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.608 -5.424 11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.422 -3.082 9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.389 -4.517 9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.838 -2.795 11.671 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.554 -2.369 10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.919 -5.136 11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.980 -3.804 11.755 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.848 -3.859 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.975 -6.118 11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.206 -6.780 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.461 -4.684 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.470 -5.998 8.326 1.00 0.00 H new ATOM 1152 N SER A 79 -3.092 -6.747 10.037 1.00 0.00 N ATOM 1153 CA SER A 79 -2.226 -7.644 9.256 1.00 0.00 C ATOM 1154 C SER A 79 -2.494 -7.491 7.754 1.00 0.00 C ATOM 1155 O SER A 79 -3.586 -7.819 7.273 1.00 0.00 O ATOM 1156 CB SER A 79 -2.431 -9.104 9.679 1.00 0.00 C ATOM 1157 OG SER A 79 -2.258 -9.237 11.077 1.00 0.00 O ATOM 0 H SER A 79 -3.772 -7.253 10.604 1.00 0.00 H new ATOM 0 HA SER A 79 -1.191 -7.364 9.455 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.430 -9.435 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.722 -9.745 9.155 1.00 0.00 H new ATOM 0 HG SER A 79 -2.393 -10.173 11.336 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.513 -6.987 7.009 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.683 -6.520 5.626 1.00 0.00 C ATOM 1165 C ILE A 80 -1.582 -7.642 4.583 1.00 0.00 C ATOM 1166 O ILE A 80 -1.073 -8.733 4.859 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.763 -5.295 5.390 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -1.292 -4.363 4.282 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.692 -5.694 5.119 1.00 0.00 C ATOM 1170 CD1 ILE A 80 -0.664 -2.969 4.322 1.00 0.00 C ATOM 0 H ILE A 80 -0.557 -6.888 7.352 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.708 -6.178 5.481 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.779 -4.734 6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.096 -4.816 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.374 -4.271 4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.292 -4.798 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.083 -6.246 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.737 -6.322 4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.077 -2.361 3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.882 -2.499 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.415 -3.052 4.196 1.00 0.00 H new ATOM 1182 N VAL A 81 -2.124 -7.379 3.395 1.00 0.00 N ATOM 1183 CA VAL A 81 -2.085 -8.248 2.206 1.00 0.00 C ATOM 1184 C VAL A 81 -1.461 -7.460 1.060 1.00 0.00 C ATOM 1185 O VAL A 81 -1.754 -6.271 0.916 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.496 -8.755 1.833 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.507 -9.594 0.547 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -4.064 -9.632 2.953 1.00 0.00 C ATOM 0 H VAL A 81 -2.630 -6.511 3.220 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.483 -9.132 2.417 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.101 -7.861 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.525 -9.922 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.140 -8.991 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.864 -10.465 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.058 -9.980 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.410 -10.490 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.128 -9.051 3.873 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.594 -8.102 0.272 1.00 0.00 N ATOM 1199 CA VAL A 82 0.240 -7.447 -0.755 1.00 0.00 C ATOM 1200 C VAL A 82 0.351 -8.216 -2.078 1.00 0.00 C ATOM 1201 O VAL A 82 0.509 -9.437 -2.086 1.00 0.00 O ATOM 1202 CB VAL A 82 1.652 -7.139 -0.238 1.00 0.00 C ATOM 1203 CG1 VAL A 82 1.604 -5.933 0.702 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.350 -8.328 0.434 1.00 0.00 C ATOM 0 H VAL A 82 -0.445 -9.110 0.326 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.292 -6.520 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 82 2.259 -6.910 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.608 -5.716 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.219 -5.067 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.951 -6.155 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.342 -8.025 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.762 -8.659 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.443 -9.146 -0.280 1.00 0.00 H new ATOM 1214 N ASN A 83 0.367 -7.494 -3.202 1.00 0.00 N ATOM 1215 CA ASN A 83 0.845 -7.986 -4.505 1.00 0.00 C ATOM 1216 C ASN A 83 1.341 -6.830 -5.387 1.00 0.00 C ATOM 1217 O ASN A 83 0.981 -5.680 -5.173 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.234 -8.820 -5.230 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.580 -8.138 -5.416 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.536 -8.440 -4.711 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.727 -7.247 -6.376 1.00 0.00 N ATOM 0 H ASN A 83 0.041 -6.528 -3.236 1.00 0.00 H new ATOM 0 HA ASN A 83 1.691 -8.646 -4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.149 -9.101 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.389 -9.743 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.635 -6.810 -6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.932 -6.995 -6.964 1.00 0.00 H new ATOM 1228 N GLU A 84 2.136 -7.115 -6.411 1.00 0.00 N ATOM 1229 CA GLU A 84 2.594 -6.139 -7.407 1.00 0.00 C ATOM 1230 C GLU A 84 1.439 -5.467 -8.184 1.00 0.00 C ATOM 1231 O GLU A 84 0.340 -6.019 -8.309 1.00 0.00 O ATOM 1232 CB GLU A 84 3.623 -6.800 -8.341 1.00 0.00 C ATOM 1233 CG GLU A 84 3.059 -7.921 -9.236 1.00 0.00 C ATOM 1234 CD GLU A 84 2.942 -7.498 -10.703 1.00 0.00 C ATOM 1235 OE1 GLU A 84 2.272 -6.479 -10.996 1.00 0.00 O ATOM 1236 OE2 GLU A 84 3.544 -8.166 -11.580 1.00 0.00 O ATOM 0 H GLU A 84 2.493 -8.055 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 84 3.078 -5.321 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.060 -6.031 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.431 -7.210 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.703 -8.797 -9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.077 -8.216 -8.867 1.00 0.00 H new ATOM 1243 N ALA A 85 1.687 -4.248 -8.679 1.00 0.00 N ATOM 1244 CA ALA A 85 0.742 -3.423 -9.436 1.00 0.00 C ATOM 1245 C ALA A 85 1.322 -2.921 -10.782 1.00 0.00 C ATOM 1246 O ALA A 85 0.852 -1.922 -11.327 1.00 0.00 O ATOM 1247 CB ALA A 85 0.247 -2.290 -8.530 1.00 0.00 C ATOM 0 H ALA A 85 2.591 -3.792 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.111 -4.035 -9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.458 -1.666 -9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.248 -2.713 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.094 -1.684 -8.210 1.00 0.00 H new