USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 649 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 46 ASN : amide:sc= -0.125 K(o=0.38,f=-3.1!) USER MOD Set 1.2: A 50 ASN : amide:sc= 0.508 K(o=0.38,f=-1.9) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.852 K(o=-2.6,f=-4.6) USER MOD Set 2.2: A 37 MET CE :methyl 157:sc= -1.7! (180deg=-2.07!) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= -0.338 (180deg=-0.653) USER MOD Single : A 12 SER OG : rot 0:sc= 0.117 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0445 X(o=-0.044,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -69:sc= 0.43 USER MOD Single : A 45 MET CE :methyl 152:sc= -0.143 (180deg=-1.04) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.726 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -138:sc= -0.995! USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.1! C(o=-1.1!,f=-2.3!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.04! C(o=-2!,f=-3.5!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 1.24 K(o=1.2,f=-0.12) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.068) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 30:sc= -3.12! USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 5.518 21.006 -0.970 1.00 0.00 N ATOM 88 CA LYS A 8 6.091 19.970 -1.820 1.00 0.00 C ATOM 89 C LYS A 8 6.873 18.964 -0.984 1.00 0.00 C ATOM 90 O LYS A 8 6.911 17.774 -1.301 1.00 0.00 O ATOM 91 CB LYS A 8 7.000 20.594 -2.879 1.00 0.00 C ATOM 92 CG LYS A 8 7.109 19.767 -4.150 1.00 0.00 C ATOM 93 CD LYS A 8 6.317 20.387 -5.291 1.00 0.00 C ATOM 94 CE LYS A 8 7.151 21.397 -6.063 1.00 0.00 C ATOM 95 NZ LYS A 8 7.317 22.671 -5.311 1.00 0.00 N ATOM 0 HA LYS A 8 5.276 19.447 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.623 21.585 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.996 20.730 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.156 19.679 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.745 18.757 -3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.976 19.603 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.427 20.876 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.131 20.971 -6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.677 21.601 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.710 23.398 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.393 22.986 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.964 22.520 -4.511 1.00 0.00 H new ATOM 109 N ASP A 9 7.490 19.447 0.091 1.00 0.00 N ATOM 110 CA ASP A 9 8.261 18.585 0.977 1.00 0.00 C ATOM 111 C ASP A 9 7.345 17.576 1.651 1.00 0.00 C ATOM 112 O ASP A 9 7.663 16.388 1.729 1.00 0.00 O ATOM 113 CB ASP A 9 8.998 19.416 2.029 1.00 0.00 C ATOM 114 CG ASP A 9 10.375 18.862 2.340 1.00 0.00 C ATOM 115 OD1 ASP A 9 10.453 17.752 2.905 1.00 0.00 O ATOM 116 OD2 ASP A 9 11.374 19.539 2.019 1.00 0.00 O ATOM 0 H ASP A 9 7.470 20.429 0.368 1.00 0.00 H new ATOM 0 HA ASP A 9 9.000 18.049 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.093 20.443 1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.406 19.447 2.944 1.00 0.00 H new ATOM 121 N LEU A 10 6.199 18.048 2.129 1.00 0.00 N ATOM 122 CA LEU A 10 5.235 17.172 2.780 1.00 0.00 C ATOM 123 C LEU A 10 4.786 16.088 1.810 1.00 0.00 C ATOM 124 O LEU A 10 4.762 14.901 2.150 1.00 0.00 O ATOM 125 CB LEU A 10 4.029 17.977 3.270 1.00 0.00 C ATOM 126 CG LEU A 10 3.436 17.521 4.605 1.00 0.00 C ATOM 127 CD1 LEU A 10 2.699 16.201 4.443 1.00 0.00 C ATOM 128 CD2 LEU A 10 4.523 17.401 5.664 1.00 0.00 C ATOM 0 H LEU A 10 5.917 19.027 2.078 1.00 0.00 H new ATOM 0 HA LEU A 10 5.710 16.703 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.324 19.023 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.249 17.930 2.510 1.00 0.00 H new ATOM 0 HG LEU A 10 2.720 18.274 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.285 15.895 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.891 16.322 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.392 15.439 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.080 17.076 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.266 16.672 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.003 18.370 5.805 1.00 0.00 H new ATOM 140 N ILE A 11 4.458 16.499 0.587 1.00 0.00 N ATOM 141 CA ILE A 11 4.039 15.555 -0.437 1.00 0.00 C ATOM 142 C ILE A 11 5.128 14.517 -0.658 1.00 0.00 C ATOM 143 O ILE A 11 4.877 13.314 -0.585 1.00 0.00 O ATOM 144 CB ILE A 11 3.729 16.263 -1.774 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.704 17.382 -1.564 1.00 0.00 C ATOM 146 CG2 ILE A 11 3.224 15.262 -2.804 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.344 16.884 -1.125 1.00 0.00 C ATOM 0 H ILE A 11 4.475 17.473 0.286 1.00 0.00 H new ATOM 0 HA ILE A 11 3.126 15.072 -0.088 1.00 0.00 H new ATOM 0 HB ILE A 11 4.651 16.707 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.086 18.077 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.594 17.942 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.011 15.779 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.985 14.501 -2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.314 14.789 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.670 17.731 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.941 16.212 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.440 16.350 -0.180 1.00 0.00 H new ATOM 159 N SER A 12 6.342 14.989 -0.929 1.00 0.00 N ATOM 160 CA SER A 12 7.469 14.100 -1.160 1.00 0.00 C ATOM 161 C SER A 12 7.630 13.103 -0.019 1.00 0.00 C ATOM 162 O SER A 12 7.877 11.928 -0.252 1.00 0.00 O ATOM 163 CB SER A 12 8.757 14.907 -1.339 1.00 0.00 C ATOM 164 OG SER A 12 8.934 15.830 -0.279 1.00 0.00 O ATOM 0 H SER A 12 6.567 15.982 -0.993 1.00 0.00 H new ATOM 0 HA SER A 12 7.270 13.540 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.610 14.230 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.726 15.441 -2.289 1.00 0.00 H new ATOM 0 HG SER A 12 8.188 15.750 0.352 1.00 0.00 H new ATOM 170 N ALA A 13 7.493 13.575 1.214 1.00 0.00 N ATOM 171 CA ALA A 13 7.636 12.703 2.378 1.00 0.00 C ATOM 172 C ALA A 13 6.629 11.562 2.340 1.00 0.00 C ATOM 173 O ALA A 13 6.983 10.407 2.575 1.00 0.00 O ATOM 174 CB ALA A 13 7.508 13.498 3.668 1.00 0.00 C ATOM 0 H ALA A 13 7.285 14.549 1.435 1.00 0.00 H new ATOM 0 HA ALA A 13 8.634 12.265 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.618 12.828 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.285 14.261 3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.529 13.975 3.706 1.00 0.00 H new ATOM 180 N GLY A 14 5.391 11.877 1.990 1.00 0.00 N ATOM 181 CA GLY A 14 4.385 10.835 1.871 1.00 0.00 C ATOM 182 C GLY A 14 4.687 9.966 0.664 1.00 0.00 C ATOM 183 O GLY A 14 4.354 8.782 0.619 1.00 0.00 O ATOM 0 H GLY A 14 5.065 12.822 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.370 10.226 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.396 11.281 1.771 1.00 0.00 H new ATOM 187 N LEU A 15 5.342 10.592 -0.308 1.00 0.00 N ATOM 188 CA LEU A 15 5.731 9.923 -1.539 1.00 0.00 C ATOM 189 C LEU A 15 6.790 8.867 -1.265 1.00 0.00 C ATOM 190 O LEU A 15 6.569 7.685 -1.512 1.00 0.00 O ATOM 191 CB LEU A 15 6.224 10.929 -2.573 1.00 0.00 C ATOM 192 CG LEU A 15 5.244 11.221 -3.710 1.00 0.00 C ATOM 193 CD1 LEU A 15 5.416 12.647 -4.208 1.00 0.00 C ATOM 194 CD2 LEU A 15 5.439 10.231 -4.848 1.00 0.00 C ATOM 0 H LEU A 15 5.616 11.573 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 15 4.851 9.425 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.457 11.865 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.155 10.559 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 15 4.229 11.110 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.711 12.837 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.227 13.343 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.434 12.784 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.734 10.453 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.457 10.311 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.266 9.219 -4.483 1.00 0.00 H new ATOM 206 N LYS A 16 7.940 9.289 -0.757 1.00 0.00 N ATOM 207 CA LYS A 16 9.015 8.352 -0.456 1.00 0.00 C ATOM 208 C LYS A 16 8.532 7.330 0.556 1.00 0.00 C ATOM 209 O LYS A 16 8.848 6.145 0.468 1.00 0.00 O ATOM 210 CB LYS A 16 10.246 9.082 0.094 1.00 0.00 C ATOM 211 CG LYS A 16 10.502 10.437 -0.545 1.00 0.00 C ATOM 212 CD LYS A 16 10.391 10.377 -2.062 1.00 0.00 C ATOM 213 CE LYS A 16 10.976 11.620 -2.715 1.00 0.00 C ATOM 214 NZ LYS A 16 10.051 12.202 -3.726 1.00 0.00 N ATOM 0 H LYS A 16 8.152 10.264 -0.546 1.00 0.00 H new ATOM 0 HA LYS A 16 9.300 7.850 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.125 9.216 1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.124 8.452 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.787 11.163 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.496 10.788 -0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.911 9.493 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.344 10.274 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.192 12.365 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.923 11.368 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.486 13.047 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.864 11.500 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.156 12.466 -3.267 1.00 0.00 H new ATOM 228 N GLU A 17 7.752 7.806 1.515 1.00 0.00 N ATOM 229 CA GLU A 17 7.205 6.942 2.550 1.00 0.00 C ATOM 230 C GLU A 17 6.349 5.838 1.942 1.00 0.00 C ATOM 231 O GLU A 17 6.528 4.658 2.251 1.00 0.00 O ATOM 232 CB GLU A 17 6.378 7.760 3.544 1.00 0.00 C ATOM 233 CG GLU A 17 7.215 8.442 4.614 1.00 0.00 C ATOM 234 CD GLU A 17 6.968 7.877 5.999 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.024 8.343 6.672 1.00 0.00 O ATOM 236 OE2 GLU A 17 7.719 6.968 6.413 1.00 0.00 O ATOM 0 H GLU A 17 7.484 8.787 1.598 1.00 0.00 H new ATOM 0 HA GLU A 17 8.038 6.479 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.814 8.516 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.651 7.105 4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.271 8.336 4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.994 9.509 4.617 1.00 0.00 H new ATOM 243 N PHE A 18 5.418 6.223 1.077 1.00 0.00 N ATOM 244 CA PHE A 18 4.539 5.251 0.439 1.00 0.00 C ATOM 245 C PHE A 18 5.307 4.392 -0.556 1.00 0.00 C ATOM 246 O PHE A 18 5.125 3.179 -0.607 1.00 0.00 O ATOM 247 CB PHE A 18 3.367 5.958 -0.253 1.00 0.00 C ATOM 248 CG PHE A 18 2.054 5.214 -0.177 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.762 4.359 0.881 1.00 0.00 C ATOM 250 CD2 PHE A 18 1.103 5.377 -1.174 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.555 3.687 0.936 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.104 4.707 -1.121 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.378 3.860 -0.066 1.00 0.00 C ATOM 0 H PHE A 18 5.253 7.192 0.803 1.00 0.00 H new ATOM 0 HA PHE A 18 4.140 4.596 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.238 6.944 0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.621 6.115 -1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.487 4.219 1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.309 6.037 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.342 3.026 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.833 4.846 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.320 3.334 -0.025 1.00 0.00 H new ATOM 263 N SER A 19 6.176 5.023 -1.337 1.00 0.00 N ATOM 264 CA SER A 19 6.978 4.302 -2.321 1.00 0.00 C ATOM 265 C SER A 19 7.819 3.230 -1.639 1.00 0.00 C ATOM 266 O SER A 19 7.806 2.064 -2.038 1.00 0.00 O ATOM 267 CB SER A 19 7.883 5.271 -3.086 1.00 0.00 C ATOM 268 OG SER A 19 8.105 4.821 -4.410 1.00 0.00 O ATOM 0 H SER A 19 6.344 6.029 -1.309 1.00 0.00 H new ATOM 0 HA SER A 19 6.303 3.821 -3.028 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.427 6.261 -3.106 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.836 5.370 -2.567 1.00 0.00 H new ATOM 0 HG SER A 19 8.684 5.457 -4.879 1.00 0.00 H new ATOM 274 N VAL A 20 8.543 3.633 -0.601 1.00 0.00 N ATOM 275 CA VAL A 20 9.382 2.708 0.145 1.00 0.00 C ATOM 276 C VAL A 20 8.535 1.634 0.813 1.00 0.00 C ATOM 277 O VAL A 20 8.967 0.490 0.951 1.00 0.00 O ATOM 278 CB VAL A 20 10.215 3.440 1.217 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.115 2.463 1.961 1.00 0.00 C ATOM 280 CG2 VAL A 20 11.036 4.552 0.584 1.00 0.00 C ATOM 0 H VAL A 20 8.565 4.594 -0.259 1.00 0.00 H new ATOM 0 HA VAL A 20 10.063 2.243 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 20 9.530 3.886 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.693 3.001 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.503 1.704 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.794 1.984 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.618 5.058 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.710 4.128 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.369 5.268 0.103 1.00 0.00 H new ATOM 290 N LEU A 21 7.327 2.003 1.229 1.00 0.00 N ATOM 291 CA LEU A 21 6.429 1.057 1.879 1.00 0.00 C ATOM 292 C LEU A 21 6.067 -0.086 0.931 1.00 0.00 C ATOM 293 O LEU A 21 6.095 -1.254 1.313 1.00 0.00 O ATOM 294 CB LEU A 21 5.159 1.778 2.343 1.00 0.00 C ATOM 295 CG LEU A 21 4.022 0.868 2.809 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.409 0.147 4.091 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.745 1.675 3.006 1.00 0.00 C ATOM 0 H LEU A 21 6.950 2.945 1.128 1.00 0.00 H new ATOM 0 HA LEU A 21 6.939 0.635 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.421 2.451 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.793 2.398 1.524 1.00 0.00 H new ATOM 0 HG LEU A 21 3.838 0.118 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.588 -0.496 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.297 -0.459 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.619 0.879 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.944 1.014 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.914 2.446 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.462 2.143 2.063 1.00 0.00 H new ATOM 309 N LEU A 22 5.721 0.264 -0.305 1.00 0.00 N ATOM 310 CA LEU A 22 5.350 -0.735 -1.304 1.00 0.00 C ATOM 311 C LEU A 22 6.541 -1.615 -1.668 1.00 0.00 C ATOM 312 O LEU A 22 6.403 -2.827 -1.824 1.00 0.00 O ATOM 313 CB LEU A 22 4.796 -0.059 -2.559 1.00 0.00 C ATOM 314 CG LEU A 22 3.710 0.987 -2.305 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.313 1.675 -3.601 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.497 0.352 -1.641 1.00 0.00 C ATOM 0 H LEU A 22 5.690 1.228 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 22 4.575 -1.367 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.620 0.417 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.392 -0.827 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 22 4.114 1.740 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.539 2.415 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.184 2.169 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.931 0.935 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.736 1.113 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.093 -0.425 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.792 -0.088 -0.688 1.00 0.00 H new ATOM 328 N ASN A 23 7.711 -0.998 -1.809 1.00 0.00 N ATOM 329 CA ASN A 23 8.924 -1.730 -2.159 1.00 0.00 C ATOM 330 C ASN A 23 9.530 -2.422 -0.939 1.00 0.00 C ATOM 331 O ASN A 23 10.300 -3.373 -1.073 1.00 0.00 O ATOM 332 CB ASN A 23 9.951 -0.782 -2.781 1.00 0.00 C ATOM 333 CG ASN A 23 9.719 -0.571 -4.263 1.00 0.00 C ATOM 334 OD1 ASN A 23 10.545 -0.950 -5.093 1.00 0.00 O ATOM 335 ND2 ASN A 23 8.589 0.038 -4.604 1.00 0.00 N ATOM 0 H ASN A 23 7.844 0.006 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 23 8.652 -2.497 -2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.911 0.180 -2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.952 -1.184 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.378 0.208 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.932 0.336 -3.883 1.00 0.00 H new ATOM 342 N GLN A 24 9.182 -1.938 0.250 1.00 0.00 N ATOM 343 CA GLN A 24 9.697 -2.506 1.493 1.00 0.00 C ATOM 344 C GLN A 24 8.569 -3.079 2.348 1.00 0.00 C ATOM 345 O GLN A 24 8.712 -3.222 3.563 1.00 0.00 O ATOM 346 CB GLN A 24 10.463 -1.444 2.285 1.00 0.00 C ATOM 347 CG GLN A 24 11.711 -1.980 2.969 1.00 0.00 C ATOM 348 CD GLN A 24 11.621 -1.916 4.482 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.587 -2.944 5.158 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.581 -0.703 5.021 1.00 0.00 N ATOM 0 H GLN A 24 8.544 -1.152 0.379 1.00 0.00 H new ATOM 0 HA GLN A 24 10.375 -3.319 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.746 -0.635 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.801 -1.016 3.038 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.874 -3.013 2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.577 -1.408 2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.612 0.122 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.520 -0.597 6.034 1.00 0.00 H new ATOM 359 N GLN A 25 7.442 -3.387 1.713 1.00 0.00 N ATOM 360 CA GLN A 25 6.277 -3.926 2.415 1.00 0.00 C ATOM 361 C GLN A 25 6.526 -5.331 2.982 1.00 0.00 C ATOM 362 O GLN A 25 5.620 -6.158 2.983 1.00 0.00 O ATOM 363 CB GLN A 25 5.075 -3.955 1.471 1.00 0.00 C ATOM 364 CG GLN A 25 3.851 -3.260 2.037 1.00 0.00 C ATOM 365 CD GLN A 25 3.316 -3.950 3.278 1.00 0.00 C ATOM 366 OE1 GLN A 25 2.715 -5.021 3.195 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.536 -3.340 4.436 1.00 0.00 N ATOM 0 H GLN A 25 7.309 -3.272 0.708 1.00 0.00 H new ATOM 0 HA GLN A 25 6.077 -3.269 3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.350 -3.481 0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.824 -4.991 1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.102 -2.227 2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.070 -3.229 1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.039 -2.453 4.458 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.202 -3.758 5.304 1.00 0.00 H new ATOM 376 N VAL A 26 7.756 -5.576 3.462 1.00 0.00 N ATOM 377 CA VAL A 26 8.170 -6.863 4.050 1.00 0.00 C ATOM 378 C VAL A 26 7.136 -7.980 3.887 1.00 0.00 C ATOM 379 O VAL A 26 5.975 -7.833 4.269 1.00 0.00 O ATOM 380 CB VAL A 26 8.487 -6.707 5.549 1.00 0.00 C ATOM 381 CG1 VAL A 26 9.723 -5.841 5.746 1.00 0.00 C ATOM 382 CG2 VAL A 26 7.294 -6.123 6.292 1.00 0.00 C ATOM 0 H VAL A 26 8.500 -4.879 3.453 1.00 0.00 H new ATOM 0 HA VAL A 26 9.061 -7.154 3.494 1.00 0.00 H new ATOM 0 HB VAL A 26 8.693 -7.695 5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.932 -5.742 6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.576 -6.306 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.548 -4.854 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.538 -6.021 7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.052 -5.144 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.436 -6.786 6.180 1.00 0.00 H new ATOM 392 N PHE A 27 7.581 -9.112 3.355 1.00 0.00 N ATOM 393 CA PHE A 27 6.713 -10.267 3.170 1.00 0.00 C ATOM 394 C PHE A 27 7.060 -11.350 4.175 1.00 0.00 C ATOM 395 O PHE A 27 8.023 -12.097 4.000 1.00 0.00 O ATOM 396 CB PHE A 27 6.829 -10.804 1.742 1.00 0.00 C ATOM 397 CG PHE A 27 6.664 -9.742 0.691 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.744 -8.973 0.288 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.427 -9.508 0.109 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.594 -7.993 -0.674 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.273 -8.531 -0.854 1.00 0.00 C ATOM 402 CZ PHE A 27 6.357 -7.772 -1.245 1.00 0.00 C ATOM 0 H PHE A 27 8.542 -9.254 3.043 1.00 0.00 H new ATOM 0 HA PHE A 27 5.681 -9.956 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.802 -11.280 1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.075 -11.576 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.714 -9.142 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.574 -10.097 0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.444 -7.400 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.305 -8.361 -1.301 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.238 -7.006 -1.997 1.00 0.00 H new ATOM 452 N LEU A 31 1.832 -15.156 5.139 1.00 0.00 N ATOM 453 CA LEU A 31 1.444 -14.013 4.314 1.00 0.00 C ATOM 454 C LEU A 31 -0.009 -13.603 4.544 1.00 0.00 C ATOM 455 O LEU A 31 -0.891 -14.448 4.692 1.00 0.00 O ATOM 456 CB LEU A 31 1.667 -14.338 2.838 1.00 0.00 C ATOM 457 CG LEU A 31 3.094 -14.766 2.484 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.092 -16.115 1.779 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.771 -13.711 1.622 1.00 0.00 C ATOM 0 HA LEU A 31 2.071 -13.170 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.981 -15.134 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.407 -13.462 2.244 1.00 0.00 H new ATOM 0 HG LEU A 31 3.660 -14.867 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.116 -16.400 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.651 -16.867 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.508 -16.045 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.784 -14.033 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.204 -13.575 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.810 -12.767 2.166 1.00 0.00 H new ATOM 471 N VAL A 32 -0.240 -12.296 4.572 1.00 0.00 N ATOM 472 CA VAL A 32 -1.574 -11.752 4.785 1.00 0.00 C ATOM 473 C VAL A 32 -2.422 -11.867 3.518 1.00 0.00 C ATOM 474 O VAL A 32 -1.889 -11.904 2.408 1.00 0.00 O ATOM 475 CB VAL A 32 -1.499 -10.277 5.225 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.839 -9.426 4.151 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.881 -9.743 5.559 1.00 0.00 C ATOM 0 H VAL A 32 0.485 -11.590 4.449 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.045 -12.335 5.576 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.887 -10.223 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.797 -8.389 4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.172 -9.790 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.419 -9.489 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.804 -8.700 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.521 -9.815 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.312 -10.330 6.370 1.00 0.00 H new ATOM 487 N SER A 33 -3.740 -11.950 3.688 1.00 0.00 N ATOM 488 CA SER A 33 -4.649 -12.095 2.553 1.00 0.00 C ATOM 489 C SER A 33 -4.911 -10.761 1.859 1.00 0.00 C ATOM 490 O SER A 33 -4.488 -9.704 2.328 1.00 0.00 O ATOM 491 CB SER A 33 -5.973 -12.707 3.016 1.00 0.00 C ATOM 492 OG SER A 33 -5.794 -14.047 3.441 1.00 0.00 O ATOM 0 H SER A 33 -4.201 -11.919 4.597 1.00 0.00 H new ATOM 0 HA SER A 33 -4.170 -12.757 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.385 -12.115 3.833 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.697 -12.674 2.202 1.00 0.00 H new ATOM 0 HG SER A 33 -6.654 -14.415 3.733 1.00 0.00 H new ATOM 498 N GLU A 34 -5.598 -10.833 0.721 1.00 0.00 N ATOM 499 CA GLU A 34 -5.910 -9.652 -0.077 1.00 0.00 C ATOM 500 C GLU A 34 -6.873 -8.711 0.638 1.00 0.00 C ATOM 501 O GLU A 34 -6.708 -7.494 0.587 1.00 0.00 O ATOM 502 CB GLU A 34 -6.503 -10.071 -1.423 1.00 0.00 C ATOM 503 CG GLU A 34 -5.611 -11.015 -2.212 1.00 0.00 C ATOM 504 CD GLU A 34 -6.184 -12.415 -2.313 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.145 -13.148 -1.303 1.00 0.00 O ATOM 506 OE2 GLU A 34 -6.674 -12.777 -3.404 1.00 0.00 O ATOM 0 H GLU A 34 -5.951 -11.706 0.329 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.976 -9.112 -0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.466 -10.552 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.693 -9.179 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.462 -10.615 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.630 -11.062 -1.739 1.00 0.00 H new ATOM 513 N GLU A 35 -7.874 -9.271 1.304 1.00 0.00 N ATOM 514 CA GLU A 35 -8.852 -8.458 2.022 1.00 0.00 C ATOM 515 C GLU A 35 -8.187 -7.722 3.177 1.00 0.00 C ATOM 516 O GLU A 35 -8.504 -6.564 3.462 1.00 0.00 O ATOM 517 CB GLU A 35 -9.992 -9.335 2.548 1.00 0.00 C ATOM 518 CG GLU A 35 -9.516 -10.559 3.313 1.00 0.00 C ATOM 519 CD GLU A 35 -9.860 -10.497 4.789 1.00 0.00 C ATOM 520 OE1 GLU A 35 -10.965 -10.945 5.159 1.00 0.00 O ATOM 521 OE2 GLU A 35 -9.023 -10.001 5.573 1.00 0.00 O ATOM 0 H GLU A 35 -8.031 -10.277 1.363 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.263 -7.724 1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.629 -8.736 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.607 -9.658 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.964 -11.452 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.436 -10.656 3.200 1.00 0.00 H new ATOM 528 N ASP A 36 -7.239 -8.394 3.819 1.00 0.00 N ATOM 529 CA ASP A 36 -6.508 -7.798 4.924 1.00 0.00 C ATOM 530 C ASP A 36 -5.558 -6.737 4.391 1.00 0.00 C ATOM 531 O ASP A 36 -5.356 -5.694 5.013 1.00 0.00 O ATOM 532 CB ASP A 36 -5.741 -8.866 5.701 1.00 0.00 C ATOM 533 CG ASP A 36 -6.594 -9.529 6.764 1.00 0.00 C ATOM 534 OD1 ASP A 36 -6.973 -8.841 7.735 1.00 0.00 O ATOM 535 OD2 ASP A 36 -6.886 -10.736 6.626 1.00 0.00 O ATOM 0 H ASP A 36 -6.961 -9.349 3.592 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.216 -7.330 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.375 -9.623 5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.867 -8.414 6.170 1.00 0.00 H new ATOM 540 N MET A 37 -5.001 -7.002 3.212 1.00 0.00 N ATOM 541 CA MET A 37 -4.097 -6.062 2.571 1.00 0.00 C ATOM 542 C MET A 37 -4.867 -4.814 2.163 1.00 0.00 C ATOM 543 O MET A 37 -4.423 -3.690 2.400 1.00 0.00 O ATOM 544 CB MET A 37 -3.440 -6.702 1.345 1.00 0.00 C ATOM 545 CG MET A 37 -2.067 -6.135 1.026 1.00 0.00 C ATOM 546 SD MET A 37 -0.800 -6.693 2.180 1.00 0.00 S ATOM 547 CE MET A 37 -0.234 -5.129 2.842 1.00 0.00 C ATOM 0 H MET A 37 -5.162 -7.860 2.685 1.00 0.00 H new ATOM 0 HA MET A 37 -3.312 -5.787 3.276 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.351 -7.776 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.090 -6.565 0.481 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.784 -6.425 0.014 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.115 -5.046 1.044 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.225 -5.291 3.817 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.499 -4.691 2.164 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.081 -4.451 2.948 1.00 0.00 H new ATOM 557 N VAL A 38 -6.037 -5.023 1.560 1.00 0.00 N ATOM 558 CA VAL A 38 -6.884 -3.917 1.134 1.00 0.00 C ATOM 559 C VAL A 38 -7.187 -3.002 2.312 1.00 0.00 C ATOM 560 O VAL A 38 -7.067 -1.782 2.209 1.00 0.00 O ATOM 561 CB VAL A 38 -8.209 -4.417 0.523 1.00 0.00 C ATOM 562 CG1 VAL A 38 -9.048 -3.248 0.030 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.942 -5.403 -0.606 1.00 0.00 C ATOM 0 H VAL A 38 -6.417 -5.948 1.357 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.339 -3.366 0.368 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.770 -4.934 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.978 -3.622 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.273 -2.584 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.494 -2.698 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.890 -5.744 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.357 -4.914 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.388 -6.258 -0.219 1.00 0.00 H new ATOM 573 N THR A 39 -7.565 -3.600 3.441 1.00 0.00 N ATOM 574 CA THR A 39 -7.862 -2.824 4.641 1.00 0.00 C ATOM 575 C THR A 39 -6.648 -1.994 5.044 1.00 0.00 C ATOM 576 O THR A 39 -6.763 -0.802 5.323 1.00 0.00 O ATOM 577 CB THR A 39 -8.279 -3.744 5.793 1.00 0.00 C ATOM 578 OG1 THR A 39 -8.189 -5.107 5.413 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.691 -3.495 6.276 1.00 0.00 C ATOM 0 H THR A 39 -7.672 -4.609 3.549 1.00 0.00 H new ATOM 0 HA THR A 39 -8.692 -2.153 4.420 1.00 0.00 H new ATOM 0 HB THR A 39 -7.587 -3.517 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.879 -5.307 4.746 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.922 -4.180 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.779 -2.467 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.390 -3.659 5.456 1.00 0.00 H new ATOM 587 N VAL A 40 -5.481 -2.635 5.058 1.00 0.00 N ATOM 588 CA VAL A 40 -4.241 -1.954 5.412 1.00 0.00 C ATOM 589 C VAL A 40 -4.021 -0.738 4.518 1.00 0.00 C ATOM 590 O VAL A 40 -3.791 0.370 5.004 1.00 0.00 O ATOM 591 CB VAL A 40 -3.026 -2.894 5.293 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.770 -2.217 5.822 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.285 -4.203 6.025 1.00 0.00 C ATOM 0 H VAL A 40 -5.370 -3.623 4.829 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.335 -1.634 6.450 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.871 -3.121 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.923 -2.897 5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.574 -1.313 5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.912 -1.955 6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.415 -4.852 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.471 -4.000 7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.155 -4.696 5.592 1.00 0.00 H new ATOM 603 N VAL A 41 -4.105 -0.954 3.208 1.00 0.00 N ATOM 604 CA VAL A 41 -3.927 0.125 2.244 1.00 0.00 C ATOM 605 C VAL A 41 -4.937 1.237 2.494 1.00 0.00 C ATOM 606 O VAL A 41 -4.585 2.416 2.519 1.00 0.00 O ATOM 607 CB VAL A 41 -4.079 -0.378 0.796 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.744 0.729 -0.193 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.201 -1.599 0.560 1.00 0.00 C ATOM 0 H VAL A 41 -4.295 -1.865 2.791 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.916 0.510 2.375 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.117 -0.670 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.857 0.354 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.419 1.571 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.716 1.056 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.321 -1.940 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.158 -1.336 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.494 -2.396 1.244 1.00 0.00 H new ATOM 619 N GLU A 42 -6.195 0.851 2.686 1.00 0.00 N ATOM 620 CA GLU A 42 -7.258 1.815 2.944 1.00 0.00 C ATOM 621 C GLU A 42 -6.899 2.699 4.134 1.00 0.00 C ATOM 622 O GLU A 42 -7.031 3.922 4.075 1.00 0.00 O ATOM 623 CB GLU A 42 -8.581 1.090 3.204 1.00 0.00 C ATOM 624 CG GLU A 42 -9.646 1.372 2.157 1.00 0.00 C ATOM 625 CD GLU A 42 -10.562 0.187 1.923 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.394 -0.106 2.808 1.00 0.00 O ATOM 627 OE2 GLU A 42 -10.450 -0.449 0.853 1.00 0.00 O ATOM 0 H GLU A 42 -6.502 -0.121 2.668 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.372 2.447 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.396 0.016 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.960 1.383 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.241 2.230 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.164 1.645 1.218 1.00 0.00 H new ATOM 634 N ASP A 43 -6.443 2.069 5.213 1.00 0.00 N ATOM 635 CA ASP A 43 -6.060 2.793 6.418 1.00 0.00 C ATOM 636 C ASP A 43 -4.991 3.835 6.111 1.00 0.00 C ATOM 637 O ASP A 43 -5.112 4.989 6.511 1.00 0.00 O ATOM 638 CB ASP A 43 -5.548 1.822 7.484 1.00 0.00 C ATOM 639 CG ASP A 43 -6.671 1.232 8.315 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.361 0.318 7.818 1.00 0.00 O ATOM 641 OD2 ASP A 43 -6.858 1.683 9.465 1.00 0.00 O ATOM 0 H ASP A 43 -6.330 1.057 5.276 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.944 3.305 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.994 1.016 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.849 2.342 8.139 1.00 0.00 H new ATOM 646 N TRP A 44 -3.950 3.418 5.394 1.00 0.00 N ATOM 647 CA TRP A 44 -2.855 4.316 5.024 1.00 0.00 C ATOM 648 C TRP A 44 -3.360 5.477 4.171 1.00 0.00 C ATOM 649 O TRP A 44 -2.938 6.619 4.346 1.00 0.00 O ATOM 650 CB TRP A 44 -1.790 3.550 4.235 1.00 0.00 C ATOM 651 CG TRP A 44 -0.963 2.611 5.063 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.687 2.711 6.396 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.299 1.429 4.602 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.113 1.664 6.791 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.364 0.863 5.706 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.199 0.794 3.357 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.116 -0.307 5.604 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.546 -0.366 3.260 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.194 -0.906 4.376 1.00 0.00 C ATOM 0 H TRP A 44 -3.840 2.462 5.056 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.426 4.712 5.944 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.279 2.983 3.443 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.128 4.267 3.750 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.044 3.497 7.045 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.463 1.509 7.737 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.695 1.203 2.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.619 -0.725 6.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.629 -0.864 2.306 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.768 -1.814 4.266 1.00 0.00 H new ATOM 670 N MET A 45 -4.247 5.170 3.226 1.00 0.00 N ATOM 671 CA MET A 45 -4.786 6.181 2.322 1.00 0.00 C ATOM 672 C MET A 45 -5.557 7.264 3.069 1.00 0.00 C ATOM 673 O MET A 45 -5.296 8.452 2.884 1.00 0.00 O ATOM 674 CB MET A 45 -5.685 5.526 1.271 1.00 0.00 C ATOM 675 CG MET A 45 -6.315 6.513 0.301 1.00 0.00 C ATOM 676 SD MET A 45 -6.300 5.922 -1.403 1.00 0.00 S ATOM 677 CE MET A 45 -6.877 4.241 -1.185 1.00 0.00 C ATOM 0 H MET A 45 -4.607 4.229 3.068 1.00 0.00 H new ATOM 0 HA MET A 45 -3.941 6.661 1.829 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.099 4.800 0.707 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.476 4.973 1.777 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.344 6.708 0.604 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.781 7.462 0.357 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.385 3.910 -2.091 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.027 3.588 -0.987 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.570 4.200 -0.345 1.00 0.00 H new ATOM 687 N ASN A 46 -6.492 6.863 3.925 1.00 0.00 N ATOM 688 CA ASN A 46 -7.262 7.830 4.697 1.00 0.00 C ATOM 689 C ASN A 46 -6.375 8.433 5.777 1.00 0.00 C ATOM 690 O ASN A 46 -6.548 9.586 6.174 1.00 0.00 O ATOM 691 CB ASN A 46 -8.484 7.161 5.328 1.00 0.00 C ATOM 692 CG ASN A 46 -9.532 8.165 5.766 1.00 0.00 C ATOM 693 OD1 ASN A 46 -9.626 9.262 5.216 1.00 0.00 O ATOM 694 ND2 ASN A 46 -10.328 7.794 6.763 1.00 0.00 N ATOM 0 H ASN A 46 -6.732 5.887 4.100 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.612 8.620 4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.926 6.468 4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.168 6.571 6.188 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.052 8.428 7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.215 6.875 7.191 1.00 0.00 H new ATOM 701 N PHE A 47 -5.409 7.641 6.230 1.00 0.00 N ATOM 702 CA PHE A 47 -4.466 8.080 7.244 1.00 0.00 C ATOM 703 C PHE A 47 -3.626 9.230 6.705 1.00 0.00 C ATOM 704 O PHE A 47 -3.432 10.237 7.382 1.00 0.00 O ATOM 705 CB PHE A 47 -3.573 6.906 7.670 1.00 0.00 C ATOM 706 CG PHE A 47 -2.173 7.295 8.052 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.933 8.070 9.173 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.099 6.882 7.282 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.645 8.425 9.521 1.00 0.00 C ATOM 710 CE2 PHE A 47 0.190 7.234 7.624 1.00 0.00 C ATOM 711 CZ PHE A 47 0.417 8.007 8.743 1.00 0.00 C ATOM 0 H PHE A 47 -5.261 6.685 5.906 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.013 8.432 8.119 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.039 6.399 8.515 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.526 6.186 6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.762 8.400 9.782 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.272 6.278 6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.468 9.028 10.399 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.020 6.905 7.016 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.425 8.286 9.011 1.00 0.00 H new ATOM 721 N TYR A 48 -3.137 9.080 5.475 1.00 0.00 N ATOM 722 CA TYR A 48 -2.327 10.118 4.858 1.00 0.00 C ATOM 723 C TYR A 48 -3.183 11.336 4.538 1.00 0.00 C ATOM 724 O TYR A 48 -2.766 12.469 4.747 1.00 0.00 O ATOM 725 CB TYR A 48 -1.650 9.592 3.593 1.00 0.00 C ATOM 726 CG TYR A 48 -0.291 8.985 3.854 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.704 9.713 4.499 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.002 7.685 3.461 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.947 9.161 4.741 1.00 0.00 C ATOM 730 CE2 TYR A 48 1.238 7.125 3.702 1.00 0.00 C ATOM 731 CZ TYR A 48 2.209 7.867 4.342 1.00 0.00 C ATOM 732 OH TYR A 48 3.446 7.313 4.583 1.00 0.00 O ATOM 0 H TYR A 48 -3.288 8.256 4.894 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.550 10.415 5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.292 8.843 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.545 10.408 2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.501 10.726 4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.759 7.102 2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.710 9.740 5.240 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.446 6.112 3.391 1.00 0.00 H new ATOM 0 HH TYR A 48 3.466 6.395 4.240 1.00 0.00 H new ATOM 742 N ILE A 49 -4.378 11.091 4.015 1.00 0.00 N ATOM 743 CA ILE A 49 -5.295 12.167 3.654 1.00 0.00 C ATOM 744 C ILE A 49 -5.541 13.107 4.840 1.00 0.00 C ATOM 745 O ILE A 49 -5.323 14.319 4.741 1.00 0.00 O ATOM 746 CB ILE A 49 -6.638 11.579 3.155 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.472 11.018 1.741 1.00 0.00 C ATOM 748 CG2 ILE A 49 -7.754 12.615 3.189 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.212 12.080 0.695 1.00 0.00 C ATOM 0 H ILE A 49 -4.736 10.154 3.831 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.837 12.746 2.852 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.921 10.771 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.647 10.306 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.372 10.466 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.680 12.164 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.893 12.967 4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.489 13.456 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.105 11.610 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.047 12.780 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.296 12.617 0.941 1.00 0.00 H new ATOM 761 N ASN A 50 -5.979 12.546 5.962 1.00 0.00 N ATOM 762 CA ASN A 50 -6.235 13.342 7.159 1.00 0.00 C ATOM 763 C ASN A 50 -4.927 13.910 7.703 1.00 0.00 C ATOM 764 O ASN A 50 -4.882 15.023 8.227 1.00 0.00 O ATOM 765 CB ASN A 50 -6.925 12.492 8.229 1.00 0.00 C ATOM 766 CG ASN A 50 -8.375 12.201 7.889 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.287 12.843 8.408 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.594 11.225 7.014 1.00 0.00 N ATOM 0 H ASN A 50 -6.164 11.549 6.069 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.894 14.168 6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.386 11.552 8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.876 13.009 9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.549 10.983 6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.807 10.718 6.608 1.00 0.00 H new ATOM 775 N TYR A 51 -3.868 13.125 7.563 1.00 0.00 N ATOM 776 CA TYR A 51 -2.536 13.508 8.019 1.00 0.00 C ATOM 777 C TYR A 51 -2.035 14.742 7.273 1.00 0.00 C ATOM 778 O TYR A 51 -1.401 15.620 7.853 1.00 0.00 O ATOM 779 CB TYR A 51 -1.587 12.328 7.792 1.00 0.00 C ATOM 780 CG TYR A 51 -0.175 12.545 8.274 1.00 0.00 C ATOM 781 CD1 TYR A 51 0.662 13.463 7.656 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.326 11.811 9.340 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.961 13.643 8.090 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.620 11.987 9.780 1.00 0.00 C ATOM 785 CZ TYR A 51 2.436 12.904 9.153 1.00 0.00 C ATOM 786 OH TYR A 51 3.729 13.082 9.587 1.00 0.00 O ATOM 0 H TYR A 51 -3.907 12.203 7.129 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.575 13.759 9.079 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.996 11.451 8.294 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.561 12.102 6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.293 14.045 6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.309 11.090 9.833 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.602 14.360 7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.993 11.409 10.612 1.00 0.00 H new ATOM 0 HH TYR A 51 3.905 12.486 10.345 1.00 0.00 H new ATOM 796 N TYR A 52 -2.308 14.781 5.977 1.00 0.00 N ATOM 797 CA TYR A 52 -1.875 15.879 5.123 1.00 0.00 C ATOM 798 C TYR A 52 -2.698 17.147 5.309 1.00 0.00 C ATOM 799 O TYR A 52 -2.151 18.248 5.280 1.00 0.00 O ATOM 800 CB TYR A 52 -1.952 15.449 3.664 1.00 0.00 C ATOM 801 CG TYR A 52 -0.659 14.885 3.155 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.138 13.719 3.690 1.00 0.00 C ATOM 803 CD2 TYR A 52 0.046 15.522 2.149 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.049 13.198 3.236 1.00 0.00 C ATOM 805 CE2 TYR A 52 1.237 15.011 1.686 1.00 0.00 C ATOM 806 CZ TYR A 52 1.738 13.847 2.231 1.00 0.00 C ATOM 807 OH TYR A 52 2.926 13.332 1.772 1.00 0.00 O ATOM 0 H TYR A 52 -2.834 14.056 5.489 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.850 16.114 5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.738 14.702 3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.235 16.305 3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.674 13.211 4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.344 16.434 1.721 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.441 12.286 3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.777 15.519 0.900 1.00 0.00 H new ATOM 0 HH TYR A 52 3.567 14.061 1.634 1.00 0.00 H new ATOM 817 N ARG A 53 -4.007 17.008 5.494 1.00 0.00 N ATOM 818 CA ARG A 53 -4.861 18.177 5.666 1.00 0.00 C ATOM 819 C ARG A 53 -4.420 19.007 6.863 1.00 0.00 C ATOM 820 O ARG A 53 -4.568 20.229 6.875 1.00 0.00 O ATOM 821 CB ARG A 53 -6.320 17.756 5.824 1.00 0.00 C ATOM 822 CG ARG A 53 -6.561 16.838 7.006 1.00 0.00 C ATOM 823 CD ARG A 53 -8.016 16.871 7.453 1.00 0.00 C ATOM 824 NE ARG A 53 -8.937 16.940 6.318 1.00 0.00 N ATOM 825 CZ ARG A 53 -9.563 15.886 5.798 1.00 0.00 C ATOM 826 NH1 ARG A 53 -9.388 14.673 6.310 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.373 16.046 4.760 1.00 0.00 N ATOM 0 H ARG A 53 -4.493 16.112 5.528 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.768 18.793 4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.937 18.648 5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.646 17.255 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.285 15.818 6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.918 17.135 7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.234 15.981 8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.176 17.731 8.103 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.110 17.853 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.769 14.542 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.873 13.873 5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.515 16.974 4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.854 15.241 4.359 1.00 0.00 H new ATOM 841 N GLN A 54 -3.880 18.334 7.871 1.00 0.00 N ATOM 842 CA GLN A 54 -3.421 19.007 9.078 1.00 0.00 C ATOM 843 C GLN A 54 -1.945 19.398 8.978 1.00 0.00 C ATOM 844 O GLN A 54 -1.439 20.143 9.818 1.00 0.00 O ATOM 845 CB GLN A 54 -3.637 18.104 10.293 1.00 0.00 C ATOM 846 CG GLN A 54 -5.059 18.134 10.830 1.00 0.00 C ATOM 847 CD GLN A 54 -5.296 17.097 11.911 1.00 0.00 C ATOM 848 OE1 GLN A 54 -5.516 17.435 13.074 1.00 0.00 O ATOM 849 NE2 GLN A 54 -5.249 15.825 11.531 1.00 0.00 N ATOM 0 H GLN A 54 -3.749 17.322 7.876 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.004 19.921 9.192 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.381 17.079 10.023 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.952 18.406 11.085 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.272 19.125 11.230 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.757 17.965 10.010 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.063 15.591 10.556 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.398 15.083 12.214 1.00 0.00 H new ATOM 858 N GLN A 55 -1.249 18.885 7.962 1.00 0.00 N ATOM 859 CA GLN A 55 0.172 19.173 7.776 1.00 0.00 C ATOM 860 C GLN A 55 0.402 20.310 6.780 1.00 0.00 C ATOM 861 O GLN A 55 1.481 20.904 6.743 1.00 0.00 O ATOM 862 CB GLN A 55 0.879 17.916 7.268 1.00 0.00 C ATOM 863 CG GLN A 55 1.563 17.094 8.348 1.00 0.00 C ATOM 864 CD GLN A 55 0.798 17.066 9.661 1.00 0.00 C ATOM 865 OE1 GLN A 55 0.885 17.995 10.464 1.00 0.00 O ATOM 866 NE2 GLN A 55 0.045 15.995 9.885 1.00 0.00 N ATOM 0 H GLN A 55 -1.648 18.267 7.255 1.00 0.00 H new ATOM 0 HA GLN A 55 0.576 19.483 8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.150 17.286 6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.623 18.208 6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.692 16.073 7.990 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.560 17.498 8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.002 15.248 9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.490 15.920 10.750 1.00 0.00 H new ATOM 875 N VAL A 56 -0.607 20.599 5.968 1.00 0.00 N ATOM 876 CA VAL A 56 -0.498 21.655 4.964 1.00 0.00 C ATOM 877 C VAL A 56 -0.428 23.041 5.601 1.00 0.00 C ATOM 878 O VAL A 56 -0.821 23.232 6.751 1.00 0.00 O ATOM 879 CB VAL A 56 -1.678 21.631 3.976 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.408 22.558 2.800 1.00 0.00 C ATOM 881 CG2 VAL A 56 -1.958 20.220 3.491 1.00 0.00 C ATOM 0 H VAL A 56 -1.508 20.120 5.983 1.00 0.00 H new ATOM 0 HA VAL A 56 0.429 21.458 4.425 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.564 21.986 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.253 22.528 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.272 23.577 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.506 22.234 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.796 20.234 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.075 19.826 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.204 19.585 4.342 1.00 0.00 H new ATOM 891 N THR A 57 0.070 24.002 4.828 1.00 0.00 N ATOM 892 CA THR A 57 0.191 25.381 5.286 1.00 0.00 C ATOM 893 C THR A 57 -0.323 26.345 4.221 1.00 0.00 C ATOM 894 O THR A 57 -0.605 25.942 3.092 1.00 0.00 O ATOM 895 CB THR A 57 1.648 25.703 5.627 1.00 0.00 C ATOM 896 OG1 THR A 57 2.511 25.279 4.588 1.00 0.00 O ATOM 897 CG2 THR A 57 2.121 25.054 6.910 1.00 0.00 C ATOM 0 H THR A 57 0.398 23.848 3.875 1.00 0.00 H new ATOM 0 HA THR A 57 -0.415 25.499 6.185 1.00 0.00 H new ATOM 0 HB THR A 57 1.682 26.785 5.753 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.437 25.495 4.824 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.161 25.323 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.506 25.400 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.037 23.971 6.822 1.00 0.00 H new ATOM 905 N GLY A 58 -0.440 27.621 4.579 1.00 0.00 N ATOM 906 CA GLY A 58 -0.915 28.614 3.633 1.00 0.00 C ATOM 907 C GLY A 58 -2.420 28.798 3.675 1.00 0.00 C ATOM 908 O GLY A 58 -3.049 28.600 4.714 1.00 0.00 O ATOM 0 H GLY A 58 -0.215 27.984 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.432 29.568 3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.618 28.320 2.626 1.00 0.00 H new ATOM 912 N GLU A 59 -2.999 29.181 2.539 1.00 0.00 N ATOM 913 CA GLU A 59 -4.439 29.397 2.444 1.00 0.00 C ATOM 914 C GLU A 59 -5.185 28.069 2.331 1.00 0.00 C ATOM 915 O GLU A 59 -4.590 27.039 2.018 1.00 0.00 O ATOM 916 CB GLU A 59 -4.764 30.287 1.243 1.00 0.00 C ATOM 917 CG GLU A 59 -5.222 31.686 1.628 1.00 0.00 C ATOM 918 CD GLU A 59 -4.066 32.657 1.768 1.00 0.00 C ATOM 919 OE1 GLU A 59 -3.469 33.023 0.734 1.00 0.00 O ATOM 920 OE2 GLU A 59 -3.758 33.052 2.913 1.00 0.00 O ATOM 0 H GLU A 59 -2.491 29.348 1.670 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.767 29.897 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.881 30.364 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.543 29.810 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.916 32.058 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.769 31.639 2.569 1.00 0.00 H new ATOM 927 N PRO A 60 -6.506 28.078 2.588 1.00 0.00 N ATOM 928 CA PRO A 60 -7.337 26.868 2.518 1.00 0.00 C ATOM 929 C PRO A 60 -7.352 26.242 1.127 1.00 0.00 C ATOM 930 O PRO A 60 -7.524 25.030 0.986 1.00 0.00 O ATOM 931 CB PRO A 60 -8.739 27.362 2.897 1.00 0.00 C ATOM 932 CG PRO A 60 -8.705 28.837 2.683 1.00 0.00 C ATOM 933 CD PRO A 60 -7.293 29.262 2.968 1.00 0.00 C ATOM 0 HA PRO A 60 -6.956 26.086 3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.503 26.892 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.975 27.120 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.991 29.090 1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.407 29.344 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.010 30.138 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.153 29.519 4.018 1.00 0.00 H new ATOM 941 N GLN A 61 -7.168 27.067 0.101 1.00 0.00 N ATOM 942 CA GLN A 61 -7.159 26.579 -1.274 1.00 0.00 C ATOM 943 C GLN A 61 -6.012 25.601 -1.490 1.00 0.00 C ATOM 944 O GLN A 61 -6.180 24.548 -2.110 1.00 0.00 O ATOM 945 CB GLN A 61 -7.043 27.751 -2.253 1.00 0.00 C ATOM 946 CG GLN A 61 -8.158 27.793 -3.285 1.00 0.00 C ATOM 947 CD GLN A 61 -7.758 27.158 -4.601 1.00 0.00 C ATOM 948 OE1 GLN A 61 -7.743 25.934 -4.734 1.00 0.00 O ATOM 949 NE2 GLN A 61 -7.431 27.989 -5.584 1.00 0.00 N ATOM 0 H GLN A 61 -7.024 28.072 0.195 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.098 26.057 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.044 28.685 -1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.084 27.690 -2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.034 27.279 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.448 28.829 -3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.457 28.997 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.153 27.619 -6.493 1.00 0.00 H new ATOM 958 N GLU A 62 -4.846 25.950 -0.960 1.00 0.00 N ATOM 959 CA GLU A 62 -3.672 25.099 -1.083 1.00 0.00 C ATOM 960 C GLU A 62 -3.935 23.745 -0.442 1.00 0.00 C ATOM 961 O GLU A 62 -3.648 22.703 -1.031 1.00 0.00 O ATOM 962 CB GLU A 62 -2.461 25.756 -0.425 1.00 0.00 C ATOM 963 CG GLU A 62 -1.901 26.933 -1.207 1.00 0.00 C ATOM 964 CD GLU A 62 -0.890 26.509 -2.254 1.00 0.00 C ATOM 965 OE1 GLU A 62 0.006 25.704 -1.922 1.00 0.00 O ATOM 966 OE2 GLU A 62 -0.993 26.980 -3.406 1.00 0.00 O ATOM 0 H GLU A 62 -4.690 26.815 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.461 24.958 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.740 26.095 0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.677 25.009 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.720 27.465 -1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.431 27.633 -0.516 1.00 0.00 H new ATOM 973 N ARG A 63 -4.496 23.763 0.766 1.00 0.00 N ATOM 974 CA ARG A 63 -4.805 22.528 1.473 1.00 0.00 C ATOM 975 C ARG A 63 -5.659 21.626 0.596 1.00 0.00 C ATOM 976 O ARG A 63 -5.359 20.446 0.417 1.00 0.00 O ATOM 977 CB ARG A 63 -5.555 22.832 2.773 1.00 0.00 C ATOM 978 CG ARG A 63 -4.648 23.259 3.911 1.00 0.00 C ATOM 979 CD ARG A 63 -4.785 24.741 4.209 1.00 0.00 C ATOM 980 NE ARG A 63 -3.915 25.155 5.307 1.00 0.00 N ATOM 981 CZ ARG A 63 -4.342 25.439 6.538 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.629 25.341 6.848 1.00 0.00 N ATOM 983 NH2 ARG A 63 -3.474 25.818 7.466 1.00 0.00 N ATOM 0 H ARG A 63 -4.743 24.614 1.270 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.869 22.022 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.285 23.620 2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.113 21.946 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.889 22.684 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.613 23.033 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.541 25.316 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.821 24.967 4.461 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.915 25.232 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.303 25.046 6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.944 25.561 7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.483 25.892 7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.798 26.036 8.408 1.00 0.00 H new ATOM 997 N ASP A 64 -6.738 22.190 0.066 1.00 0.00 N ATOM 998 CA ASP A 64 -7.650 21.432 -0.773 1.00 0.00 C ATOM 999 C ASP A 64 -6.918 20.786 -1.945 1.00 0.00 C ATOM 1000 O ASP A 64 -7.184 19.628 -2.277 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.772 22.334 -1.290 1.00 0.00 C ATOM 1002 CG ASP A 64 -10.121 21.641 -1.285 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.759 21.593 -0.212 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.538 21.146 -2.353 1.00 0.00 O ATOM 0 H ASP A 64 -7.000 23.166 0.203 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.082 20.638 -0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.826 23.232 -0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.536 22.657 -2.304 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.995 21.512 -2.581 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.256 20.959 -3.711 1.00 0.00 C ATOM 1011 C LYS A 65 -4.349 19.821 -3.261 1.00 0.00 C ATOM 1012 O LYS A 65 -4.111 18.872 -4.006 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.426 22.056 -4.383 1.00 0.00 C ATOM 1014 CG LYS A 65 -3.593 21.567 -5.558 1.00 0.00 C ATOM 1015 CD LYS A 65 -2.442 22.516 -5.857 1.00 0.00 C ATOM 1016 CE LYS A 65 -2.664 23.278 -7.154 1.00 0.00 C ATOM 1017 NZ LYS A 65 -1.647 22.930 -8.185 1.00 0.00 N ATOM 0 H LYS A 65 -5.746 22.470 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.974 20.563 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.095 22.844 -4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.763 22.502 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.200 20.574 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.226 21.472 -6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.330 23.222 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.512 21.951 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.660 23.058 -7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.628 24.349 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.834 23.471 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.698 23.163 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.698 21.912 -8.393 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.852 19.919 -2.036 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.981 18.890 -1.493 1.00 0.00 C ATOM 1033 C ALA A 66 -3.772 17.623 -1.201 1.00 0.00 C ATOM 1034 O ALA A 66 -3.289 16.513 -1.414 1.00 0.00 O ATOM 1035 CB ALA A 66 -2.294 19.391 -0.231 1.00 0.00 C ATOM 0 H ALA A 66 -4.037 20.697 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.217 18.656 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.645 18.610 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.698 20.273 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.046 19.650 0.514 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.995 17.802 -0.710 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.860 16.678 -0.380 1.00 0.00 C ATOM 1043 C LEU A 67 -6.342 15.954 -1.633 1.00 0.00 C ATOM 1044 O LEU A 67 -6.486 14.729 -1.630 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.061 17.157 0.439 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.869 17.095 1.953 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.664 17.918 2.369 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -8.122 17.576 2.669 1.00 0.00 C ATOM 0 H LEU A 67 -5.408 18.717 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.275 15.974 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.288 18.185 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.929 16.554 0.172 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.690 16.058 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.542 17.863 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.771 17.527 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.813 18.956 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.967 17.525 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.333 18.606 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.965 16.942 2.393 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.578 16.699 -2.711 1.00 0.00 N ATOM 1061 CA GLN A 68 -7.032 16.084 -3.952 1.00 0.00 C ATOM 1062 C GLN A 68 -5.884 15.340 -4.627 1.00 0.00 C ATOM 1063 O GLN A 68 -6.045 14.200 -5.062 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.645 17.133 -4.897 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.636 17.895 -5.747 1.00 0.00 C ATOM 1066 CD GLN A 68 -6.211 17.124 -6.983 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -6.966 16.307 -7.510 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -4.996 17.382 -7.453 1.00 0.00 N ATOM 0 H GLN A 68 -6.464 17.712 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.813 15.362 -3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.354 16.635 -5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.213 17.849 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.069 18.849 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.756 18.121 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.403 18.067 -6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.656 16.895 -8.282 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.725 15.986 -4.710 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.559 15.374 -5.330 1.00 0.00 C ATOM 1079 C GLU A 69 -3.139 14.128 -4.563 1.00 0.00 C ATOM 1080 O GLU A 69 -2.702 13.144 -5.157 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.401 16.370 -5.393 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.454 16.129 -6.558 1.00 0.00 C ATOM 1083 CD GLU A 69 -1.116 17.402 -7.309 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.127 18.068 -6.935 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -1.840 17.733 -8.272 1.00 0.00 O ATOM 0 H GLU A 69 -4.570 16.930 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.825 15.084 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.805 17.380 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.838 16.319 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.535 15.676 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.906 15.415 -7.246 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.288 14.168 -3.243 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.936 13.024 -2.413 1.00 0.00 C ATOM 1094 C LEU A 70 -3.870 11.864 -2.719 1.00 0.00 C ATOM 1095 O LEU A 70 -3.431 10.735 -2.937 1.00 0.00 O ATOM 1096 CB LEU A 70 -3.014 13.387 -0.928 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.879 12.835 -0.068 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -0.602 13.626 -0.304 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -2.265 12.867 1.404 1.00 0.00 C ATOM 0 H LEU A 70 -3.647 14.973 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.911 12.731 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.025 14.473 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.961 13.023 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.699 11.799 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.197 13.220 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.318 13.554 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.768 14.671 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.446 12.470 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.470 13.895 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.156 12.259 1.560 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.165 12.156 -2.726 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.178 11.143 -2.998 1.00 0.00 C ATOM 1113 C ARG A 71 -5.909 10.452 -4.333 1.00 0.00 C ATOM 1114 O ARG A 71 -5.958 9.223 -4.426 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.567 11.785 -3.012 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.605 11.016 -2.211 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.898 11.804 -2.081 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.691 13.084 -1.404 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.499 14.134 -1.536 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.573 14.062 -2.314 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.233 15.259 -0.887 1.00 0.00 N ATOM 0 H ARG A 71 -5.539 13.088 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.136 10.393 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.493 12.798 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.908 11.870 -4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.806 10.060 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.211 10.794 -1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.317 11.981 -3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.628 11.214 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.879 13.178 -0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.783 13.199 -2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.188 14.870 -2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.410 15.319 -0.287 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.851 16.064 -0.987 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.606 11.239 -5.363 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.315 10.681 -6.677 1.00 0.00 C ATOM 1137 C GLN A 72 -3.945 10.015 -6.670 1.00 0.00 C ATOM 1138 O GLN A 72 -3.722 9.013 -7.352 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.363 11.778 -7.745 1.00 0.00 C ATOM 1140 CG GLN A 72 -6.394 11.523 -8.832 1.00 0.00 C ATOM 1141 CD GLN A 72 -6.213 12.435 -10.030 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -6.924 13.429 -10.181 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -5.258 12.101 -10.892 1.00 0.00 N ATOM 0 H GLN A 72 -5.556 12.257 -5.312 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.071 9.932 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.582 12.732 -7.265 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.379 11.870 -8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.326 10.485 -9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.393 11.663 -8.420 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.692 11.269 -10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.091 12.677 -11.717 1.00 0.00 H new ATOM 1152 N GLU A 73 -3.031 10.581 -5.889 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.680 10.050 -5.780 1.00 0.00 C ATOM 1154 C GLU A 73 -1.702 8.624 -5.243 1.00 0.00 C ATOM 1155 O GLU A 73 -1.068 7.732 -5.807 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.830 10.939 -4.869 1.00 0.00 C ATOM 1157 CG GLU A 73 0.073 11.900 -5.626 1.00 0.00 C ATOM 1158 CD GLU A 73 1.242 11.198 -6.291 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.000 10.283 -7.105 1.00 0.00 O ATOM 1160 OE2 GLU A 73 2.399 11.565 -5.996 1.00 0.00 O ATOM 0 H GLU A 73 -3.204 11.410 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.238 10.039 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.489 11.511 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.217 10.306 -4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.512 12.422 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.451 12.656 -4.938 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.450 8.405 -4.164 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.567 7.080 -3.575 1.00 0.00 C ATOM 1169 C LEU A 74 -3.319 6.144 -4.511 1.00 0.00 C ATOM 1170 O LEU A 74 -2.926 4.999 -4.707 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.283 7.162 -2.226 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.694 8.176 -1.244 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.783 8.765 -0.363 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.613 7.524 -0.395 1.00 0.00 C ATOM 0 H LEU A 74 -2.982 9.130 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.564 6.682 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.329 7.413 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.266 6.176 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.243 8.987 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.343 9.484 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.523 9.267 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.265 7.967 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.203 8.258 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.042 6.694 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.818 7.152 -1.041 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.417 6.642 -5.069 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.246 5.851 -5.976 1.00 0.00 C ATOM 1188 C ASN A 75 -4.414 5.247 -7.104 1.00 0.00 C ATOM 1189 O ASN A 75 -4.624 4.098 -7.494 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.366 6.716 -6.559 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.674 6.550 -5.810 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -8.458 5.646 -6.102 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.916 7.423 -4.840 1.00 0.00 N ATOM 0 H ASN A 75 -4.755 7.591 -4.910 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.684 5.034 -5.402 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.065 7.763 -6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.515 6.455 -7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.780 7.361 -4.302 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.238 8.156 -4.633 1.00 0.00 H new ATOM 1200 N THR A 76 -3.475 6.026 -7.622 1.00 0.00 N ATOM 1201 CA THR A 76 -2.615 5.564 -8.707 1.00 0.00 C ATOM 1202 C THR A 76 -1.471 4.701 -8.178 1.00 0.00 C ATOM 1203 O THR A 76 -1.037 3.756 -8.836 1.00 0.00 O ATOM 1204 CB THR A 76 -2.051 6.757 -9.482 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.315 6.319 -10.610 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.139 7.635 -8.652 1.00 0.00 C ATOM 0 H THR A 76 -3.288 6.979 -7.311 1.00 0.00 H new ATOM 0 HA THR A 76 -3.221 4.954 -9.377 1.00 0.00 H new ATOM 0 HB THR A 76 -2.920 7.344 -9.780 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.964 7.096 -11.093 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.775 8.461 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.691 8.030 -7.799 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.293 7.047 -8.295 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.979 5.041 -6.991 1.00 0.00 N ATOM 1215 CA LEU A 77 0.126 4.312 -6.374 1.00 0.00 C ATOM 1216 C LEU A 77 -0.311 2.941 -5.855 1.00 0.00 C ATOM 1217 O LEU A 77 0.488 2.005 -5.807 1.00 0.00 O ATOM 1218 CB LEU A 77 0.724 5.141 -5.233 1.00 0.00 C ATOM 1219 CG LEU A 77 2.070 5.794 -5.548 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.263 7.052 -4.716 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.205 4.811 -5.305 1.00 0.00 C ATOM 0 H LEU A 77 -1.329 5.820 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 77 0.882 4.145 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.014 5.921 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.844 4.498 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 77 2.078 6.078 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.227 7.502 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.466 7.761 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.235 6.796 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.157 5.290 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.198 4.498 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.075 3.939 -5.946 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.571 2.830 -5.452 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.099 1.577 -4.920 1.00 0.00 C ATOM 1235 C ALA A 78 -2.356 0.548 -6.019 1.00 0.00 C ATOM 1236 O ALA A 78 -2.282 -0.657 -5.776 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.376 1.839 -4.136 1.00 0.00 C ATOM 0 H ALA A 78 -2.248 3.593 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.343 1.160 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.762 0.898 -3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.163 2.517 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.120 2.290 -4.793 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.667 1.020 -7.223 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.943 0.121 -8.343 1.00 0.00 C ATOM 1245 C ASN A 79 -1.793 -0.863 -8.575 1.00 0.00 C ATOM 1246 O ASN A 79 -2.015 -2.070 -8.678 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.199 0.927 -9.618 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.665 1.263 -9.803 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.516 0.375 -9.849 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -4.967 2.551 -9.911 1.00 0.00 N ATOM 0 H ASN A 79 -2.734 2.012 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.834 -0.454 -8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.619 1.849 -9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.847 0.360 -10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.937 2.838 -10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.229 3.253 -9.867 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.544 -0.366 -8.663 1.00 0.00 N ATOM 1258 CA PRO A 80 0.628 -1.218 -8.889 1.00 0.00 C ATOM 1259 C PRO A 80 0.961 -2.096 -7.684 1.00 0.00 C ATOM 1260 O PRO A 80 1.349 -3.256 -7.843 1.00 0.00 O ATOM 1261 CB PRO A 80 1.756 -0.217 -9.149 1.00 0.00 C ATOM 1262 CG PRO A 80 1.320 1.032 -8.469 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.180 1.059 -8.567 1.00 0.00 C ATOM 0 HA PRO A 80 0.463 -1.918 -9.708 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.704 -0.576 -8.747 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.903 -0.055 -10.217 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.643 1.042 -7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.757 1.909 -8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.631 1.531 -7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.515 1.619 -9.440 1.00 0.00 H new ATOM 1271 N PHE A 81 0.797 -1.550 -6.480 1.00 0.00 N ATOM 1272 CA PHE A 81 1.072 -2.295 -5.255 1.00 0.00 C ATOM 1273 C PHE A 81 0.141 -3.496 -5.143 1.00 0.00 C ATOM 1274 O PHE A 81 0.590 -4.634 -4.976 1.00 0.00 O ATOM 1275 CB PHE A 81 0.903 -1.362 -4.048 1.00 0.00 C ATOM 1276 CG PHE A 81 0.867 -2.055 -2.711 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.516 -3.265 -2.515 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.187 -1.484 -1.646 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.485 -3.890 -1.282 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.152 -2.104 -0.413 1.00 0.00 C ATOM 1281 CZ PHE A 81 0.803 -3.308 -0.230 1.00 0.00 C ATOM 0 H PHE A 81 0.475 -0.594 -6.328 1.00 0.00 H new ATOM 0 HA PHE A 81 2.096 -2.667 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.722 -0.642 -4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.020 -0.795 -4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.051 -3.724 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.322 -0.541 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.993 -4.832 -1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.383 -1.648 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.779 -3.794 0.734 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.159 -3.237 -5.247 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.152 -4.299 -5.169 1.00 0.00 C ATOM 1293 C LEU A 82 -1.851 -5.380 -6.199 1.00 0.00 C ATOM 1294 O LEU A 82 -2.188 -6.547 -6.001 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.560 -3.739 -5.392 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.051 -2.763 -4.319 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.362 -2.118 -4.745 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.211 -3.471 -2.982 1.00 0.00 C ATOM 0 H LEU A 82 -1.547 -2.304 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.107 -4.738 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.584 -3.234 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.260 -4.572 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.304 -1.978 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.696 -1.427 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.213 -1.573 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.117 -2.891 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.561 -2.760 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.936 -4.278 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.251 -3.883 -2.671 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.202 -4.989 -7.294 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.844 -5.932 -8.342 1.00 0.00 C ATOM 1312 C ALA A 83 0.276 -6.848 -7.873 1.00 0.00 C ATOM 1313 O ALA A 83 0.216 -8.062 -8.059 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.430 -5.187 -9.602 1.00 0.00 C ATOM 0 H ALA A 83 -0.915 -4.027 -7.475 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.716 -6.545 -8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.165 -5.905 -10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.258 -4.568 -9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.430 -4.554 -9.384 1.00 0.00 H new ATOM 1320 N LYS A 84 1.295 -6.258 -7.250 1.00 0.00 N ATOM 1321 CA LYS A 84 2.422 -7.036 -6.740 1.00 0.00 C ATOM 1322 C LYS A 84 1.922 -8.101 -5.772 1.00 0.00 C ATOM 1323 O LYS A 84 2.352 -9.257 -5.817 1.00 0.00 O ATOM 1324 CB LYS A 84 3.440 -6.132 -6.034 1.00 0.00 C ATOM 1325 CG LYS A 84 3.634 -4.782 -6.706 1.00 0.00 C ATOM 1326 CD LYS A 84 4.908 -4.098 -6.236 1.00 0.00 C ATOM 1327 CE LYS A 84 4.833 -2.591 -6.430 1.00 0.00 C ATOM 1328 NZ LYS A 84 5.945 -2.082 -7.280 1.00 0.00 N ATOM 0 H LYS A 84 1.363 -5.253 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 84 2.915 -7.515 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.117 -5.972 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.400 -6.647 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.670 -4.916 -7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.777 -4.143 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.076 -4.323 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.761 -4.495 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.879 -2.331 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.865 -2.098 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.856 -1.051 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.856 -2.306 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.900 -2.532 -8.216 1.00 0.00 H new ATOM 1342 N TYR A 85 0.991 -7.707 -4.909 1.00 0.00 N ATOM 1343 CA TYR A 85 0.421 -8.638 -3.946 1.00 0.00 C ATOM 1344 C TYR A 85 -0.561 -9.578 -4.632 1.00 0.00 C ATOM 1345 O TYR A 85 -0.678 -10.745 -4.259 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.259 -7.899 -2.796 1.00 0.00 C ATOM 1347 CG TYR A 85 0.089 -8.480 -1.445 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.414 -8.591 -1.043 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.900 -8.929 -0.580 1.00 0.00 C ATOM 1350 CE1 TYR A 85 1.744 -9.130 0.183 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.577 -9.472 0.649 1.00 0.00 C ATOM 1352 CZ TYR A 85 0.747 -9.570 1.027 1.00 0.00 C ATOM 1353 OH TYR A 85 1.073 -10.111 2.249 1.00 0.00 O ATOM 0 H TYR A 85 0.619 -6.759 -4.858 1.00 0.00 H new ATOM 0 HA TYR A 85 1.236 -9.228 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.032 -6.849 -2.822 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.340 -7.934 -2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.199 -8.250 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.937 -8.853 -0.872 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.779 -9.207 0.480 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.357 -9.818 1.311 1.00 0.00 H new ATOM 0 HH TYR A 85 1.905 -9.707 2.574 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.252 -9.071 -5.647 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.206 -9.883 -6.392 1.00 0.00 C ATOM 1365 C ARG A 86 -1.481 -11.038 -7.071 1.00 0.00 C ATOM 1366 O ARG A 86 -1.932 -12.182 -7.027 1.00 0.00 O ATOM 1367 CB ARG A 86 -2.938 -9.032 -7.433 1.00 0.00 C ATOM 1368 CG ARG A 86 -4.352 -8.653 -7.022 1.00 0.00 C ATOM 1369 CD ARG A 86 -5.391 -9.485 -7.756 1.00 0.00 C ATOM 1370 NE ARG A 86 -6.691 -9.452 -7.089 1.00 0.00 N ATOM 1371 CZ ARG A 86 -7.002 -10.202 -6.034 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -6.112 -11.042 -5.520 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -8.208 -10.110 -5.490 1.00 0.00 N ATOM 0 H ARG A 86 -1.170 -8.107 -5.971 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.944 -10.284 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.365 -8.123 -7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.976 -9.579 -8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.468 -8.791 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.520 -7.596 -7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.497 -9.115 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.046 -10.516 -7.826 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.402 -8.817 -7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.183 -11.116 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.358 -11.613 -4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.896 -9.465 -5.880 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.448 -10.684 -4.682 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.341 -10.728 -7.681 1.00 0.00 N ATOM 1388 CA ASP A 87 0.469 -11.736 -8.353 1.00 0.00 C ATOM 1389 C ASP A 87 1.131 -12.645 -7.323 1.00 0.00 C ATOM 1390 O ASP A 87 1.318 -13.839 -7.554 1.00 0.00 O ATOM 1391 CB ASP A 87 1.536 -11.067 -9.222 1.00 0.00 C ATOM 1392 CG ASP A 87 1.805 -11.833 -10.503 1.00 0.00 C ATOM 1393 OD1 ASP A 87 2.549 -12.834 -10.450 1.00 0.00 O ATOM 1394 OD2 ASP A 87 1.271 -11.431 -11.558 1.00 0.00 O ATOM 0 H ASP A 87 0.043 -9.784 -7.723 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.179 -12.335 -8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.217 -10.054 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.462 -10.980 -8.653 1.00 0.00 H new ATOM 1399 N PHE A 88 1.470 -12.061 -6.177 1.00 0.00 N ATOM 1400 CA PHE A 88 2.105 -12.792 -5.085 1.00 0.00 C ATOM 1401 C PHE A 88 1.112 -13.743 -4.410 1.00 0.00 C ATOM 1402 O PHE A 88 1.496 -14.788 -3.887 1.00 0.00 O ATOM 1403 CB PHE A 88 2.664 -11.798 -4.062 1.00 0.00 C ATOM 1404 CG PHE A 88 3.690 -12.376 -3.124 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.570 -13.363 -3.545 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.776 -11.921 -1.819 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.513 -13.884 -2.678 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.716 -12.438 -0.949 1.00 0.00 C ATOM 1409 CZ PHE A 88 5.587 -13.421 -1.379 1.00 0.00 C ATOM 0 H PHE A 88 1.313 -11.073 -5.980 1.00 0.00 H new ATOM 0 HA PHE A 88 2.919 -13.391 -5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.111 -10.959 -4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.838 -11.398 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.518 -13.728 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.099 -11.152 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.192 -14.653 -3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.770 -12.074 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.324 -13.826 -0.701 1.00 0.00 H new ATOM 1419 N LEU A 89 -0.165 -13.375 -4.446 1.00 0.00 N ATOM 1420 CA LEU A 89 -1.212 -14.204 -3.851 1.00 0.00 C ATOM 1421 C LEU A 89 -1.560 -15.368 -4.776 1.00 0.00 C ATOM 1422 O LEU A 89 -1.697 -16.510 -4.337 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.462 -13.362 -3.578 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.480 -12.606 -2.242 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -3.352 -13.333 -1.229 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -1.069 -12.422 -1.695 1.00 0.00 C ATOM 0 H LEU A 89 -0.500 -12.514 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.841 -14.605 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.573 -12.638 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.333 -14.016 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.904 -11.618 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.353 -12.783 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.371 -13.403 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.958 -14.335 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.113 -11.884 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.610 -13.398 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.473 -11.853 -2.409 1.00 0.00 H new