USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 433 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 54 GLN : amide:sc= -1.45 K(o=-1.5,f=-2.8) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= -0.0825 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 GLN : amide:sc= -3.97 K(o=-4,f=-2.6) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc=-0.00881 (180deg=-0.154) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -103:sc= 1.25 (180deg=-0.0574) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -1.27 USER MOD Single : A 37 GLN : amide:sc= -2.78! K(o=-2.8!,f=-0.037) USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= 0.692 (180deg=-0.407) USER MOD Single : A 45 ASN : amide:sc= -0.662 K(o=-0.66,f=-3.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.0165 (180deg=-0.217) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 4.426 0.709 9.029 1.00 0.00 N ATOM 117 CA TRP A 11 2.971 0.706 9.124 1.00 0.00 C ATOM 118 C TRP A 11 2.506 -0.106 10.328 1.00 0.00 C ATOM 119 O TRP A 11 3.153 -1.076 10.723 1.00 0.00 O ATOM 120 CB TRP A 11 2.356 0.140 7.843 1.00 0.00 C ATOM 121 CG TRP A 11 2.151 1.173 6.776 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.095 2.010 6.254 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.924 1.479 6.104 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.529 2.818 5.297 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.199 2.511 5.186 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.378 0.980 6.187 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.218 3.052 4.359 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.351 1.518 5.366 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.049 2.544 4.461 1.00 0.00 C ATOM 0 HA TRP A 11 2.638 1.736 9.253 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.001 -0.649 7.456 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.397 -0.321 8.081 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.134 2.034 6.550 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.020 3.531 4.757 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.620 0.188 6.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.449 3.844 3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.361 1.141 5.423 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.831 2.942 3.832 1.00 0.00 H new ATOM 140 N THR A 12 1.379 0.296 10.908 1.00 0.00 N ATOM 141 CA THR A 12 0.828 -0.395 12.068 1.00 0.00 C ATOM 142 C THR A 12 -0.318 -1.315 11.666 1.00 0.00 C ATOM 143 O THR A 12 -1.047 -1.036 10.714 1.00 0.00 O ATOM 144 CB THR A 12 0.324 0.602 13.128 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.177 -0.106 14.267 1.00 0.00 O ATOM 146 CG2 THR A 12 -0.769 1.493 12.557 1.00 0.00 C ATOM 0 H THR A 12 0.830 1.096 10.594 1.00 0.00 H new ATOM 0 HA THR A 12 1.635 -0.990 12.495 1.00 0.00 H new ATOM 0 HB THR A 12 1.161 1.231 13.431 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.494 0.535 14.937 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.109 2.189 13.324 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.376 2.053 11.708 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.606 0.877 12.229 1.00 0.00 H new ATOM 154 N VAL A 13 -0.473 -2.414 12.398 1.00 0.00 N ATOM 155 CA VAL A 13 -1.533 -3.375 12.119 1.00 0.00 C ATOM 156 C VAL A 13 -2.841 -2.669 11.781 1.00 0.00 C ATOM 157 O VAL A 13 -3.447 -2.928 10.742 1.00 0.00 O ATOM 158 CB VAL A 13 -1.766 -4.317 13.315 1.00 0.00 C ATOM 159 CG1 VAL A 13 -2.937 -5.249 13.041 1.00 0.00 C ATOM 160 CG2 VAL A 13 -0.504 -5.109 13.622 1.00 0.00 C ATOM 0 H VAL A 13 0.122 -2.661 13.189 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.208 -3.963 11.260 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.011 -3.713 14.189 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.086 -5.907 13.897 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.839 -4.660 12.874 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.726 -5.848 12.155 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.686 -5.770 14.470 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.227 -5.704 12.752 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.307 -4.422 13.865 1.00 0.00 H new ATOM 170 N GLU A 14 -3.270 -1.774 12.665 1.00 0.00 N ATOM 171 CA GLU A 14 -4.507 -1.030 12.460 1.00 0.00 C ATOM 172 C GLU A 14 -4.632 -0.573 11.009 1.00 0.00 C ATOM 173 O GLU A 14 -5.728 -0.543 10.450 1.00 0.00 O ATOM 174 CB GLU A 14 -4.561 0.181 13.394 1.00 0.00 C ATOM 175 CG GLU A 14 -4.924 -0.172 14.827 1.00 0.00 C ATOM 176 CD GLU A 14 -6.382 -0.556 14.982 1.00 0.00 C ATOM 177 OE1 GLU A 14 -6.789 -1.588 14.408 1.00 0.00 O ATOM 178 OE2 GLU A 14 -7.117 0.175 15.678 1.00 0.00 O ATOM 0 H GLU A 14 -2.779 -1.547 13.530 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.342 -1.693 12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.592 0.679 13.386 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.289 0.894 13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.297 -0.998 15.164 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.706 0.678 15.473 1.00 0.00 H new ATOM 185 N GLU A 15 -3.501 -0.216 10.407 1.00 0.00 N ATOM 186 CA GLU A 15 -3.485 0.241 9.023 1.00 0.00 C ATOM 187 C GLU A 15 -3.259 -0.927 8.067 1.00 0.00 C ATOM 188 O GLU A 15 -4.040 -1.144 7.141 1.00 0.00 O ATOM 189 CB GLU A 15 -2.395 1.296 8.824 1.00 0.00 C ATOM 190 CG GLU A 15 -2.704 2.625 9.492 1.00 0.00 C ATOM 191 CD GLU A 15 -1.453 3.374 9.907 1.00 0.00 C ATOM 192 OE1 GLU A 15 -0.355 2.993 9.450 1.00 0.00 O ATOM 193 OE2 GLU A 15 -1.572 4.341 10.689 1.00 0.00 O ATOM 0 H GLU A 15 -2.585 -0.235 10.856 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.455 0.686 8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.454 0.912 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.251 1.461 7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.284 3.245 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.326 2.450 10.370 1.00 0.00 H new ATOM 200 N GLN A 16 -2.184 -1.674 8.299 1.00 0.00 N ATOM 201 CA GLN A 16 -1.855 -2.819 7.458 1.00 0.00 C ATOM 202 C GLN A 16 -3.084 -3.688 7.215 1.00 0.00 C ATOM 203 O GLN A 16 -3.199 -4.344 6.179 1.00 0.00 O ATOM 204 CB GLN A 16 -0.747 -3.652 8.105 1.00 0.00 C ATOM 205 CG GLN A 16 0.629 -3.012 8.012 1.00 0.00 C ATOM 206 CD GLN A 16 1.720 -3.887 8.596 1.00 0.00 C ATOM 207 OE1 GLN A 16 2.660 -4.274 7.901 1.00 0.00 O ATOM 208 NE2 GLN A 16 1.602 -4.204 9.880 1.00 0.00 N ATOM 0 H GLN A 16 -1.527 -1.507 9.061 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.504 -2.443 6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.992 -3.815 9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.716 -4.632 7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.858 -2.801 6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.617 -2.056 8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.807 -3.861 10.419 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.307 -4.790 10.327 1.00 0.00 H new ATOM 217 N LYS A 17 -4.002 -3.688 8.175 1.00 0.00 N ATOM 218 CA LYS A 17 -5.224 -4.476 8.066 1.00 0.00 C ATOM 219 C LYS A 17 -6.303 -3.704 7.313 1.00 0.00 C ATOM 220 O LYS A 17 -7.196 -4.296 6.706 1.00 0.00 O ATOM 221 CB LYS A 17 -5.734 -4.860 9.457 1.00 0.00 C ATOM 222 CG LYS A 17 -6.381 -3.709 10.207 1.00 0.00 C ATOM 223 CD LYS A 17 -6.194 -3.847 11.709 1.00 0.00 C ATOM 224 CE LYS A 17 -6.734 -5.175 12.218 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.225 -5.072 13.620 1.00 0.00 N ATOM 0 H LYS A 17 -3.923 -3.151 9.038 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.993 -5.383 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.456 -5.670 9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.902 -5.245 10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.950 -2.766 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.445 -3.674 9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.135 -3.766 11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.702 -3.027 12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.546 -5.509 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.951 -5.931 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.585 -5.997 13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.444 -4.778 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.990 -4.369 13.669 1.00 0.00 H new ATOM 239 N LYS A 18 -6.215 -2.379 7.356 1.00 0.00 N ATOM 240 CA LYS A 18 -7.182 -1.525 6.676 1.00 0.00 C ATOM 241 C LYS A 18 -6.876 -1.438 5.184 1.00 0.00 C ATOM 242 O LYS A 18 -7.766 -1.596 4.348 1.00 0.00 O ATOM 243 CB LYS A 18 -7.176 -0.123 7.291 1.00 0.00 C ATOM 244 CG LYS A 18 -8.489 0.622 7.119 1.00 0.00 C ATOM 245 CD LYS A 18 -8.617 1.763 8.114 1.00 0.00 C ATOM 246 CE LYS A 18 -10.029 2.328 8.135 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.995 1.384 8.762 1.00 0.00 N ATOM 0 H LYS A 18 -5.483 -1.873 7.855 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.171 -1.966 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.950 -0.203 8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.375 0.460 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.556 1.014 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.321 -0.070 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.350 1.410 9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.912 2.553 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.035 3.270 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.347 2.549 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.882 1.884 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.188 0.599 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.591 1.008 9.644 1.00 0.00 H new ATOM 261 N LEU A 19 -5.613 -1.187 4.857 1.00 0.00 N ATOM 262 CA LEU A 19 -5.190 -1.081 3.465 1.00 0.00 C ATOM 263 C LEU A 19 -5.548 -2.344 2.689 1.00 0.00 C ATOM 264 O LEU A 19 -6.260 -2.288 1.688 1.00 0.00 O ATOM 265 CB LEU A 19 -3.683 -0.831 3.388 1.00 0.00 C ATOM 266 CG LEU A 19 -3.048 -0.981 2.005 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.641 0.026 1.032 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.537 -0.817 2.091 1.00 0.00 C ATOM 0 H LEU A 19 -4.864 -1.053 5.537 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.716 -0.239 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.483 0.177 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.185 -1.519 4.071 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.264 -1.983 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.176 -0.096 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.715 -0.139 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.457 1.036 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.102 -0.927 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.300 0.172 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.125 -1.578 2.754 1.00 0.00 H new ATOM 280 N GLU A 20 -5.050 -3.483 3.161 1.00 0.00 N ATOM 281 CA GLU A 20 -5.319 -4.761 2.512 1.00 0.00 C ATOM 282 C GLU A 20 -6.788 -4.870 2.113 1.00 0.00 C ATOM 283 O GLU A 20 -7.116 -5.406 1.055 1.00 0.00 O ATOM 284 CB GLU A 20 -4.944 -5.919 3.439 1.00 0.00 C ATOM 285 CG GLU A 20 -3.445 -6.096 3.615 1.00 0.00 C ATOM 286 CD GLU A 20 -2.755 -6.532 2.336 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.194 -7.535 1.737 1.00 0.00 O ATOM 288 OE2 GLU A 20 -1.776 -5.868 1.936 1.00 0.00 O ATOM 0 H GLU A 20 -4.459 -3.547 3.990 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.710 -4.816 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.399 -5.754 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.366 -6.842 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.010 -5.157 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.259 -6.835 4.394 1.00 0.00 H new ATOM 295 N GLN A 21 -7.667 -4.357 2.969 1.00 0.00 N ATOM 296 CA GLN A 21 -9.101 -4.398 2.706 1.00 0.00 C ATOM 297 C GLN A 21 -9.496 -3.345 1.677 1.00 0.00 C ATOM 298 O GLN A 21 -10.102 -3.659 0.652 1.00 0.00 O ATOM 299 CB GLN A 21 -9.884 -4.181 4.002 1.00 0.00 C ATOM 300 CG GLN A 21 -10.080 -5.452 4.814 1.00 0.00 C ATOM 301 CD GLN A 21 -11.348 -6.194 4.440 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.300 -7.239 3.792 1.00 0.00 O ATOM 303 NE2 GLN A 21 -12.491 -5.656 4.848 1.00 0.00 N ATOM 0 H GLN A 21 -7.412 -3.909 3.849 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.343 -5.381 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.361 -3.446 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.860 -3.759 3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.223 -6.109 4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.110 -5.200 5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.484 -4.788 5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.377 -6.111 4.626 1.00 0.00 H new ATOM 312 N LEU A 22 -9.150 -2.093 1.957 1.00 0.00 N ATOM 313 CA LEU A 22 -9.469 -0.991 1.055 1.00 0.00 C ATOM 314 C LEU A 22 -9.040 -1.315 -0.373 1.00 0.00 C ATOM 315 O LEU A 22 -9.683 -0.895 -1.336 1.00 0.00 O ATOM 316 CB LEU A 22 -8.786 0.294 1.526 1.00 0.00 C ATOM 317 CG LEU A 22 -9.457 1.021 2.692 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.473 1.962 3.371 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.682 1.784 2.211 1.00 0.00 C ATOM 0 H LEU A 22 -8.649 -1.816 2.801 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.549 -0.846 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.763 0.053 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.726 0.981 0.682 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.780 0.278 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.968 2.471 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.626 1.391 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.119 2.700 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.147 2.295 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.383 2.517 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.395 1.087 1.771 1.00 0.00 H new ATOM 331 N LEU A 23 -7.951 -2.064 -0.502 1.00 0.00 N ATOM 332 CA LEU A 23 -7.437 -2.447 -1.813 1.00 0.00 C ATOM 333 C LEU A 23 -8.514 -3.144 -2.638 1.00 0.00 C ATOM 334 O LEU A 23 -8.664 -2.878 -3.831 1.00 0.00 O ATOM 335 CB LEU A 23 -6.223 -3.364 -1.658 1.00 0.00 C ATOM 336 CG LEU A 23 -4.892 -2.672 -1.363 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.827 -3.696 -1.000 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.448 -1.838 -2.555 1.00 0.00 C ATOM 0 H LEU A 23 -7.407 -2.418 0.284 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.135 -1.540 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.428 -4.071 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.112 -3.945 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.032 -2.006 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.887 -3.185 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.141 -4.250 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.689 -4.388 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.499 -1.353 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.326 -2.483 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.201 -1.079 -2.769 1.00 0.00 H new ATOM 350 N ILE A 24 -9.261 -4.034 -1.995 1.00 0.00 N ATOM 351 CA ILE A 24 -10.326 -4.766 -2.669 1.00 0.00 C ATOM 352 C ILE A 24 -11.515 -3.858 -2.966 1.00 0.00 C ATOM 353 O ILE A 24 -12.009 -3.812 -4.093 1.00 0.00 O ATOM 354 CB ILE A 24 -10.806 -5.963 -1.827 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.646 -6.922 -1.556 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.943 -6.686 -2.535 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.802 -7.714 -0.276 1.00 0.00 C ATOM 0 H ILE A 24 -9.149 -4.266 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.911 -5.135 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.176 -5.591 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.555 -7.614 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.718 -6.353 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.272 -7.530 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.776 -5.998 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.597 -7.049 -3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.943 -8.373 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.863 -7.030 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.713 -8.311 -0.326 1.00 0.00 H new ATOM 369 N LYS A 25 -11.969 -3.136 -1.948 1.00 0.00 N ATOM 370 CA LYS A 25 -13.098 -2.225 -2.098 1.00 0.00 C ATOM 371 C LYS A 25 -12.845 -1.226 -3.222 1.00 0.00 C ATOM 372 O LYS A 25 -13.743 -0.919 -4.007 1.00 0.00 O ATOM 373 CB LYS A 25 -13.357 -1.480 -0.787 1.00 0.00 C ATOM 374 CG LYS A 25 -14.514 -0.498 -0.864 1.00 0.00 C ATOM 375 CD LYS A 25 -14.047 0.881 -1.298 1.00 0.00 C ATOM 376 CE LYS A 25 -15.170 1.668 -1.957 1.00 0.00 C ATOM 377 NZ LYS A 25 -15.294 1.350 -3.406 1.00 0.00 N ATOM 0 H LYS A 25 -11.572 -3.164 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.978 -2.816 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.560 -2.206 0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.453 -0.942 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.260 -0.868 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.999 -0.429 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.676 1.430 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.214 0.782 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.112 1.447 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.986 2.735 -1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.877 2.120 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.793 0.462 -3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.299 1.245 -3.654 1.00 0.00 H new ATOM 391 N TYR A 26 -11.618 -0.723 -3.295 1.00 0.00 N ATOM 392 CA TYR A 26 -11.247 0.242 -4.323 1.00 0.00 C ATOM 393 C TYR A 26 -10.395 -0.414 -5.405 1.00 0.00 C ATOM 394 O TYR A 26 -9.170 -0.488 -5.307 1.00 0.00 O ATOM 395 CB TYR A 26 -10.487 1.415 -3.701 1.00 0.00 C ATOM 396 CG TYR A 26 -11.375 2.382 -2.952 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.204 3.265 -3.634 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.385 2.415 -1.563 1.00 0.00 C ATOM 399 CE1 TYR A 26 -13.017 4.152 -2.954 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.196 3.296 -0.875 1.00 0.00 C ATOM 401 CZ TYR A 26 -13.009 4.163 -1.574 1.00 0.00 C ATOM 402 OH TYR A 26 -13.817 5.044 -0.892 1.00 0.00 O ATOM 0 H TYR A 26 -10.863 -0.968 -2.654 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.163 0.614 -4.783 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.731 1.026 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.960 1.954 -4.488 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.213 3.258 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.747 1.740 -1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.655 4.832 -3.499 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.193 3.306 0.205 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.693 4.922 0.072 1.00 0.00 H new ATOM 412 N PRO A 27 -11.058 -0.902 -6.464 1.00 0.00 N ATOM 413 CA PRO A 27 -10.382 -1.560 -7.586 1.00 0.00 C ATOM 414 C PRO A 27 -9.565 -0.583 -8.425 1.00 0.00 C ATOM 415 O PRO A 27 -9.660 0.635 -8.270 1.00 0.00 O ATOM 416 CB PRO A 27 -11.538 -2.134 -8.409 1.00 0.00 C ATOM 417 CG PRO A 27 -12.704 -1.268 -8.080 1.00 0.00 C ATOM 418 CD PRO A 27 -12.518 -0.849 -6.648 1.00 0.00 C ATOM 0 HA PRO A 27 -9.667 -2.310 -7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.315 -2.109 -9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.731 -3.174 -8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.744 -0.400 -8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.641 -1.809 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.910 0.152 -6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.034 -1.521 -5.962 1.00 0.00 H new ATOM 426 N PRO A 28 -8.744 -1.126 -9.335 1.00 0.00 N ATOM 427 CA PRO A 28 -7.895 -0.319 -10.217 1.00 0.00 C ATOM 428 C PRO A 28 -8.704 0.445 -11.259 1.00 0.00 C ATOM 429 O PRO A 28 -9.861 0.119 -11.521 1.00 0.00 O ATOM 430 CB PRO A 28 -6.997 -1.358 -10.894 1.00 0.00 C ATOM 431 CG PRO A 28 -7.781 -2.624 -10.847 1.00 0.00 C ATOM 432 CD PRO A 28 -8.580 -2.570 -9.574 1.00 0.00 C ATOM 0 HA PRO A 28 -7.346 0.445 -9.667 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.766 -1.073 -11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.047 -1.461 -10.370 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.435 -2.710 -11.715 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.122 -3.492 -10.857 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.542 -3.071 -9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.057 -3.057 -8.751 1.00 0.00 H new ATOM 440 N GLU A 29 -8.086 1.463 -11.851 1.00 0.00 N ATOM 441 CA GLU A 29 -8.751 2.274 -12.865 1.00 0.00 C ATOM 442 C GLU A 29 -7.731 2.921 -13.798 1.00 0.00 C ATOM 443 O GLU A 29 -6.529 2.688 -13.677 1.00 0.00 O ATOM 444 CB GLU A 29 -9.611 3.353 -12.204 1.00 0.00 C ATOM 445 CG GLU A 29 -8.856 4.196 -11.190 1.00 0.00 C ATOM 446 CD GLU A 29 -9.710 5.301 -10.600 1.00 0.00 C ATOM 447 OE1 GLU A 29 -10.538 5.871 -11.342 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.551 5.597 -9.397 1.00 0.00 O ATOM 0 H GLU A 29 -7.127 1.745 -11.646 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.393 1.619 -13.454 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.017 4.006 -12.977 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.459 2.878 -11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.493 3.554 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.980 4.635 -11.668 1.00 0.00 H new ATOM 455 N GLU A 30 -8.222 3.734 -14.728 1.00 0.00 N ATOM 456 CA GLU A 30 -7.354 4.414 -15.682 1.00 0.00 C ATOM 457 C GLU A 30 -6.353 5.314 -14.962 1.00 0.00 C ATOM 458 O GLU A 30 -5.158 5.293 -15.258 1.00 0.00 O ATOM 459 CB GLU A 30 -8.187 5.242 -16.663 1.00 0.00 C ATOM 460 CG GLU A 30 -9.091 6.259 -15.987 1.00 0.00 C ATOM 461 CD GLU A 30 -10.286 6.636 -16.841 1.00 0.00 C ATOM 462 OE1 GLU A 30 -11.128 5.752 -17.106 1.00 0.00 O ATOM 463 OE2 GLU A 30 -10.380 7.814 -17.242 1.00 0.00 O ATOM 0 H GLU A 30 -9.215 3.938 -14.841 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.801 3.655 -16.236 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.516 5.762 -17.347 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.798 4.570 -17.266 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.441 5.854 -15.038 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.515 7.156 -15.758 1.00 0.00 H new ATOM 470 N VAL A 31 -6.850 6.104 -14.016 1.00 0.00 N ATOM 471 CA VAL A 31 -6.001 7.011 -13.253 1.00 0.00 C ATOM 472 C VAL A 31 -5.709 6.453 -11.865 1.00 0.00 C ATOM 473 O VAL A 31 -6.536 6.554 -10.959 1.00 0.00 O ATOM 474 CB VAL A 31 -6.650 8.401 -13.110 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.812 9.291 -12.205 1.00 0.00 C ATOM 476 CG2 VAL A 31 -6.840 9.043 -14.476 1.00 0.00 C ATOM 0 H VAL A 31 -7.837 6.134 -13.759 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.067 7.110 -13.805 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.631 8.279 -12.652 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.286 10.268 -12.116 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.733 8.835 -11.218 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.816 9.408 -12.631 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.300 10.024 -14.356 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.872 9.153 -14.964 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.485 8.412 -15.088 1.00 0.00 H new ATOM 486 N GLU A 32 -4.528 5.865 -11.706 1.00 0.00 N ATOM 487 CA GLU A 32 -4.127 5.291 -10.427 1.00 0.00 C ATOM 488 C GLU A 32 -4.090 6.359 -9.338 1.00 0.00 C ATOM 489 O GLU A 32 -4.418 6.094 -8.182 1.00 0.00 O ATOM 490 CB GLU A 32 -2.755 4.624 -10.549 1.00 0.00 C ATOM 491 CG GLU A 32 -1.603 5.612 -10.625 1.00 0.00 C ATOM 492 CD GLU A 32 -1.505 6.291 -11.977 1.00 0.00 C ATOM 493 OE1 GLU A 32 -1.340 5.578 -12.989 1.00 0.00 O ATOM 494 OE2 GLU A 32 -1.593 7.536 -12.023 1.00 0.00 O ATOM 0 H GLU A 32 -3.832 5.774 -12.446 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.865 4.539 -10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.603 3.966 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.743 3.996 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.727 6.369 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.668 5.092 -10.415 1.00 0.00 H new ATOM 501 N SER A 33 -3.688 7.568 -9.717 1.00 0.00 N ATOM 502 CA SER A 33 -3.604 8.677 -8.774 1.00 0.00 C ATOM 503 C SER A 33 -4.842 8.727 -7.883 1.00 0.00 C ATOM 504 O SER A 33 -4.737 8.842 -6.662 1.00 0.00 O ATOM 505 CB SER A 33 -3.446 10.001 -9.523 1.00 0.00 C ATOM 506 OG SER A 33 -4.707 10.526 -9.902 1.00 0.00 O ATOM 0 H SER A 33 -3.415 7.804 -10.671 1.00 0.00 H new ATOM 0 HA SER A 33 -2.730 8.519 -8.143 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.924 10.720 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.830 9.850 -10.410 1.00 0.00 H new ATOM 0 HG SER A 33 -4.579 11.373 -10.378 1.00 0.00 H new ATOM 512 N ARG A 34 -6.014 8.641 -8.504 1.00 0.00 N ATOM 513 CA ARG A 34 -7.272 8.679 -7.769 1.00 0.00 C ATOM 514 C ARG A 34 -7.425 7.441 -6.889 1.00 0.00 C ATOM 515 O ARG A 34 -7.786 7.542 -5.716 1.00 0.00 O ATOM 516 CB ARG A 34 -8.451 8.776 -8.739 1.00 0.00 C ATOM 517 CG ARG A 34 -8.297 9.877 -9.776 1.00 0.00 C ATOM 518 CD ARG A 34 -9.077 9.562 -11.043 1.00 0.00 C ATOM 519 NE ARG A 34 -10.461 10.022 -10.961 1.00 0.00 N ATOM 520 CZ ARG A 34 -11.241 10.198 -12.023 1.00 0.00 C ATOM 521 NH1 ARG A 34 -10.774 9.954 -13.240 1.00 0.00 N ATOM 522 NH2 ARG A 34 -12.489 10.619 -11.868 1.00 0.00 N ATOM 0 H ARG A 34 -6.118 8.545 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.263 9.561 -7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.569 7.821 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.365 8.949 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.645 10.822 -9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.242 10.004 -10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.588 10.033 -11.896 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.062 8.487 -11.220 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.850 10.219 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.814 9.631 -13.363 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.374 10.090 -14.053 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.851 10.808 -10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.087 10.754 -12.683 1.00 0.00 H new ATOM 536 N ARG A 35 -7.148 6.275 -7.464 1.00 0.00 N ATOM 537 CA ARG A 35 -7.256 5.019 -6.732 1.00 0.00 C ATOM 538 C ARG A 35 -6.611 5.134 -5.354 1.00 0.00 C ATOM 539 O ARG A 35 -7.191 4.721 -4.350 1.00 0.00 O ATOM 540 CB ARG A 35 -6.597 3.886 -7.522 1.00 0.00 C ATOM 541 CG ARG A 35 -6.475 2.589 -6.740 1.00 0.00 C ATOM 542 CD ARG A 35 -5.574 1.592 -7.451 1.00 0.00 C ATOM 543 NE ARG A 35 -5.324 0.404 -6.639 1.00 0.00 N ATOM 544 CZ ARG A 35 -4.944 -0.765 -7.144 1.00 0.00 C ATOM 545 NH1 ARG A 35 -4.771 -0.901 -8.452 1.00 0.00 N ATOM 546 NH2 ARG A 35 -4.737 -1.800 -6.341 1.00 0.00 N ATOM 0 H ARG A 35 -6.847 6.174 -8.434 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.315 4.795 -6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.175 3.701 -8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.604 4.205 -7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.076 2.798 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.464 2.152 -6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.034 1.296 -8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.626 2.070 -7.695 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.448 0.476 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.930 -0.107 -9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.479 -1.799 -8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.869 -1.699 -5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.445 -2.697 -6.730 1.00 0.00 H new ATOM 560 N TRP A 36 -5.409 5.698 -5.315 1.00 0.00 N ATOM 561 CA TRP A 36 -4.685 5.867 -4.060 1.00 0.00 C ATOM 562 C TRP A 36 -5.319 6.963 -3.210 1.00 0.00 C ATOM 563 O TRP A 36 -5.231 6.936 -1.982 1.00 0.00 O ATOM 564 CB TRP A 36 -3.218 6.203 -4.335 1.00 0.00 C ATOM 565 CG TRP A 36 -2.600 5.340 -5.393 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.924 5.761 -6.503 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.603 3.909 -5.441 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.507 4.678 -7.238 1.00 0.00 N ATOM 569 CE2 TRP A 36 -1.910 3.530 -6.608 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.122 2.911 -4.612 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.725 2.197 -6.964 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -2.937 1.588 -4.967 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.243 1.240 -6.134 1.00 0.00 C ATOM 0 H TRP A 36 -4.915 6.046 -6.137 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.738 4.928 -3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.142 7.247 -4.638 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.649 6.097 -3.411 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.744 6.793 -6.764 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.982 4.721 -8.112 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.658 3.169 -3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.191 1.928 -7.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.334 0.808 -4.334 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.115 0.197 -6.383 1.00 0.00 H new ATOM 584 N GLN A 37 -5.957 7.924 -3.869 1.00 0.00 N ATOM 585 CA GLN A 37 -6.605 9.028 -3.172 1.00 0.00 C ATOM 586 C GLN A 37 -7.847 8.548 -2.428 1.00 0.00 C ATOM 587 O GLN A 37 -8.028 8.840 -1.245 1.00 0.00 O ATOM 588 CB GLN A 37 -6.984 10.132 -4.161 1.00 0.00 C ATOM 589 CG GLN A 37 -5.901 11.184 -4.341 1.00 0.00 C ATOM 590 CD GLN A 37 -5.982 12.288 -3.304 1.00 0.00 C ATOM 591 OE1 GLN A 37 -6.664 13.293 -3.502 1.00 0.00 O ATOM 592 NE2 GLN A 37 -5.285 12.104 -2.189 1.00 0.00 N ATOM 0 H GLN A 37 -6.039 7.960 -4.885 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.899 9.429 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.206 9.682 -5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.898 10.618 -3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.923 10.707 -4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.984 11.619 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.733 11.255 -2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.302 12.812 -1.455 1.00 0.00 H new ATOM 601 N LYS A 38 -8.702 7.810 -3.128 1.00 0.00 N ATOM 602 CA LYS A 38 -9.928 7.289 -2.535 1.00 0.00 C ATOM 603 C LYS A 38 -9.623 6.488 -1.273 1.00 0.00 C ATOM 604 O LYS A 38 -10.312 6.621 -0.261 1.00 0.00 O ATOM 605 CB LYS A 38 -10.672 6.409 -3.542 1.00 0.00 C ATOM 606 CG LYS A 38 -11.119 7.156 -4.788 1.00 0.00 C ATOM 607 CD LYS A 38 -11.496 6.199 -5.906 1.00 0.00 C ATOM 608 CE LYS A 38 -11.454 6.883 -7.263 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.023 6.023 -8.337 1.00 0.00 N ATOM 0 H LYS A 38 -8.568 7.559 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.560 8.135 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.026 5.582 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.545 5.974 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.972 7.790 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.318 7.814 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.813 5.349 -5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.496 5.805 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.010 7.819 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.423 7.137 -7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.488 6.620 -9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.260 5.478 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.719 5.369 -7.926 1.00 0.00 H new ATOM 623 N ILE A 39 -8.588 5.658 -1.340 1.00 0.00 N ATOM 624 CA ILE A 39 -8.191 4.838 -0.202 1.00 0.00 C ATOM 625 C ILE A 39 -7.648 5.700 0.934 1.00 0.00 C ATOM 626 O ILE A 39 -8.092 5.590 2.076 1.00 0.00 O ATOM 627 CB ILE A 39 -7.124 3.801 -0.599 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.725 2.754 -1.539 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.544 3.137 0.641 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.713 2.132 -2.476 1.00 0.00 C ATOM 0 H ILE A 39 -8.009 5.535 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.085 4.315 0.137 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.318 4.313 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.189 1.967 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.517 3.218 -2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.791 2.407 0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.085 3.893 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.340 2.635 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.209 1.399 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.266 2.909 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.934 1.639 -1.895 1.00 0.00 H new ATOM 642 N ALA A 40 -6.687 6.559 0.610 1.00 0.00 N ATOM 643 CA ALA A 40 -6.087 7.442 1.601 1.00 0.00 C ATOM 644 C ALA A 40 -7.157 8.158 2.419 1.00 0.00 C ATOM 645 O ALA A 40 -7.147 8.108 3.649 1.00 0.00 O ATOM 646 CB ALA A 40 -5.174 8.454 0.923 1.00 0.00 C ATOM 0 H ALA A 40 -6.308 6.662 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.494 6.832 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.733 9.107 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.382 7.929 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.753 9.051 0.218 1.00 0.00 H new ATOM 652 N ASP A 41 -8.077 8.822 1.729 1.00 0.00 N ATOM 653 CA ASP A 41 -9.154 9.547 2.392 1.00 0.00 C ATOM 654 C ASP A 41 -9.725 8.734 3.549 1.00 0.00 C ATOM 655 O ASP A 41 -9.737 9.188 4.693 1.00 0.00 O ATOM 656 CB ASP A 41 -10.262 9.883 1.392 1.00 0.00 C ATOM 657 CG ASP A 41 -11.050 11.114 1.793 1.00 0.00 C ATOM 658 OD1 ASP A 41 -11.930 10.995 2.672 1.00 0.00 O ATOM 659 OD2 ASP A 41 -10.788 12.197 1.228 1.00 0.00 O ATOM 0 H ASP A 41 -8.099 8.873 0.711 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.743 10.474 2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.823 10.041 0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.940 9.034 1.306 1.00 0.00 H new ATOM 664 N GLU A 42 -10.199 7.530 3.243 1.00 0.00 N ATOM 665 CA GLU A 42 -10.773 6.655 4.258 1.00 0.00 C ATOM 666 C GLU A 42 -9.837 6.523 5.456 1.00 0.00 C ATOM 667 O GLU A 42 -10.249 6.700 6.603 1.00 0.00 O ATOM 668 CB GLU A 42 -11.061 5.273 3.668 1.00 0.00 C ATOM 669 CG GLU A 42 -12.366 5.202 2.893 1.00 0.00 C ATOM 670 CD GLU A 42 -13.564 4.956 3.790 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.664 3.848 4.357 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.401 5.873 3.925 1.00 0.00 O ATOM 0 H GLU A 42 -10.197 7.139 2.301 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.708 7.100 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.241 4.991 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.087 4.541 4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.511 6.134 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.302 4.405 2.152 1.00 0.00 H new ATOM 679 N LEU A 43 -8.575 6.212 5.181 1.00 0.00 N ATOM 680 CA LEU A 43 -7.578 6.056 6.236 1.00 0.00 C ATOM 681 C LEU A 43 -7.486 7.317 7.088 1.00 0.00 C ATOM 682 O LEU A 43 -7.473 7.249 8.317 1.00 0.00 O ATOM 683 CB LEU A 43 -6.211 5.735 5.629 1.00 0.00 C ATOM 684 CG LEU A 43 -6.131 4.456 4.795 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.902 4.479 3.899 1.00 0.00 C ATOM 686 CD2 LEU A 43 -6.112 3.231 5.698 1.00 0.00 C ATOM 0 H LEU A 43 -8.217 6.063 4.237 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.887 5.230 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.908 6.573 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.484 5.663 6.438 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.016 4.402 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.862 3.561 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.957 5.336 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.005 4.557 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.055 2.330 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.245 3.278 6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.022 3.206 6.297 1.00 0.00 H new ATOM 698 N GLY A 44 -7.423 8.469 6.427 1.00 0.00 N ATOM 699 CA GLY A 44 -7.334 9.730 7.140 1.00 0.00 C ATOM 700 C GLY A 44 -5.923 10.040 7.597 1.00 0.00 C ATOM 701 O GLY A 44 -5.468 11.179 7.501 1.00 0.00 O ATOM 0 H GLY A 44 -7.432 8.551 5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.688 10.534 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.995 9.701 8.006 1.00 0.00 H new ATOM 705 N ASN A 45 -5.228 9.023 8.097 1.00 0.00 N ATOM 706 CA ASN A 45 -3.860 9.193 8.573 1.00 0.00 C ATOM 707 C ASN A 45 -2.869 9.133 7.414 1.00 0.00 C ATOM 708 O ASN A 45 -1.958 9.956 7.320 1.00 0.00 O ATOM 709 CB ASN A 45 -3.519 8.117 9.606 1.00 0.00 C ATOM 710 CG ASN A 45 -4.569 8.008 10.695 1.00 0.00 C ATOM 711 OD1 ASN A 45 -5.761 7.883 10.413 1.00 0.00 O ATOM 712 ND2 ASN A 45 -4.130 8.055 11.947 1.00 0.00 N ATOM 0 H ASN A 45 -5.590 8.073 8.183 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.785 10.174 9.042 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.418 7.155 9.104 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.553 8.344 10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.790 7.987 12.722 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.133 8.160 12.134 1.00 0.00 H new ATOM 719 N ARG A 46 -3.054 8.154 6.535 1.00 0.00 N ATOM 720 CA ARG A 46 -2.177 7.986 5.383 1.00 0.00 C ATOM 721 C ARG A 46 -2.637 8.857 4.217 1.00 0.00 C ATOM 722 O ARG A 46 -3.761 9.361 4.210 1.00 0.00 O ATOM 723 CB ARG A 46 -2.141 6.519 4.952 1.00 0.00 C ATOM 724 CG ARG A 46 -1.350 5.627 5.896 1.00 0.00 C ATOM 725 CD ARG A 46 0.100 6.074 6.000 1.00 0.00 C ATOM 726 NE ARG A 46 0.289 7.079 7.043 1.00 0.00 N ATOM 727 CZ ARG A 46 0.093 6.842 8.336 1.00 0.00 C ATOM 728 NH1 ARG A 46 -0.294 5.641 8.742 1.00 0.00 N ATOM 729 NH2 ARG A 46 0.286 7.808 9.225 1.00 0.00 N ATOM 0 H ARG A 46 -3.803 7.465 6.599 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.174 8.298 5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.162 6.144 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.708 6.453 3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.809 5.644 6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.390 4.596 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.731 5.211 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.424 6.480 5.042 1.00 0.00 H new ATOM 0 HE ARG A 46 0.588 8.013 6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.442 4.896 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.444 5.462 9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.585 8.733 8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.135 7.626 10.217 1.00 0.00 H new ATOM 743 N THR A 47 -1.761 9.032 3.233 1.00 0.00 N ATOM 744 CA THR A 47 -2.075 9.843 2.064 1.00 0.00 C ATOM 745 C THR A 47 -1.863 9.057 0.776 1.00 0.00 C ATOM 746 O THR A 47 -1.115 8.080 0.750 1.00 0.00 O ATOM 747 CB THR A 47 -1.216 11.121 2.020 1.00 0.00 C ATOM 748 OG1 THR A 47 0.104 10.808 1.564 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.143 11.773 3.392 1.00 0.00 C ATOM 0 H THR A 47 -0.827 8.622 3.223 1.00 0.00 H new ATOM 0 HA THR A 47 -3.125 10.123 2.146 1.00 0.00 H new ATOM 0 HB THR A 47 -1.683 11.822 1.328 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.643 11.626 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.531 12.673 3.335 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.147 12.037 3.723 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.698 11.076 4.103 1.00 0.00 H new ATOM 757 N ALA A 48 -2.526 9.489 -0.292 1.00 0.00 N ATOM 758 CA ALA A 48 -2.408 8.826 -1.584 1.00 0.00 C ATOM 759 C ALA A 48 -0.988 8.319 -1.813 1.00 0.00 C ATOM 760 O ALA A 48 -0.784 7.171 -2.208 1.00 0.00 O ATOM 761 CB ALA A 48 -2.819 9.773 -2.702 1.00 0.00 C ATOM 0 H ALA A 48 -3.150 10.296 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.078 7.966 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.726 9.265 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.853 10.083 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.172 10.650 -2.692 1.00 0.00 H new ATOM 767 N LYS A 49 -0.009 9.183 -1.564 1.00 0.00 N ATOM 768 CA LYS A 49 1.392 8.823 -1.743 1.00 0.00 C ATOM 769 C LYS A 49 1.758 7.616 -0.884 1.00 0.00 C ATOM 770 O LYS A 49 2.088 6.551 -1.405 1.00 0.00 O ATOM 771 CB LYS A 49 2.293 10.008 -1.386 1.00 0.00 C ATOM 772 CG LYS A 49 2.588 10.924 -2.561 1.00 0.00 C ATOM 773 CD LYS A 49 3.834 10.485 -3.311 1.00 0.00 C ATOM 774 CE LYS A 49 3.499 9.495 -4.417 1.00 0.00 C ATOM 775 NZ LYS A 49 4.678 9.208 -5.280 1.00 0.00 N ATOM 0 H LYS A 49 -0.161 10.137 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 49 1.543 8.561 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.819 10.588 -0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.234 9.630 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.736 10.931 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.718 11.945 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.328 11.357 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.538 10.030 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.137 8.566 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.690 9.894 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.409 8.530 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.008 10.090 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.442 8.804 -4.701 1.00 0.00 H new ATOM 789 N GLN A 50 1.695 7.791 0.432 1.00 0.00 N ATOM 790 CA GLN A 50 2.019 6.715 1.361 1.00 0.00 C ATOM 791 C GLN A 50 1.349 5.411 0.938 1.00 0.00 C ATOM 792 O GLN A 50 1.896 4.327 1.140 1.00 0.00 O ATOM 793 CB GLN A 50 1.585 7.089 2.779 1.00 0.00 C ATOM 794 CG GLN A 50 2.467 8.144 3.427 1.00 0.00 C ATOM 795 CD GLN A 50 2.006 8.512 4.823 1.00 0.00 C ATOM 796 OE1 GLN A 50 2.623 8.125 5.816 1.00 0.00 O ATOM 797 NE2 GLN A 50 0.915 9.265 4.907 1.00 0.00 N ATOM 0 H GLN A 50 1.423 8.667 0.879 1.00 0.00 H new ATOM 0 HA GLN A 50 3.099 6.569 1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.558 7.453 2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.589 6.193 3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.492 7.777 3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.475 9.038 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.435 9.563 4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.558 9.545 5.820 1.00 0.00 H new ATOM 806 N VAL A 51 0.162 5.524 0.352 1.00 0.00 N ATOM 807 CA VAL A 51 -0.582 4.355 -0.100 1.00 0.00 C ATOM 808 C VAL A 51 0.008 3.791 -1.387 1.00 0.00 C ATOM 809 O VAL A 51 0.087 2.576 -1.566 1.00 0.00 O ATOM 810 CB VAL A 51 -2.068 4.690 -0.333 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.825 3.459 -0.805 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.691 5.256 0.934 1.00 0.00 C ATOM 0 H VAL A 51 -0.305 6.414 0.179 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.505 3.607 0.689 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.134 5.448 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.873 3.715 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.392 3.102 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.754 2.676 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.740 5.487 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.615 4.522 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.164 6.165 1.224 1.00 0.00 H new ATOM 822 N ALA A 52 0.422 4.682 -2.282 1.00 0.00 N ATOM 823 CA ALA A 52 1.008 4.274 -3.553 1.00 0.00 C ATOM 824 C ALA A 52 2.299 3.493 -3.336 1.00 0.00 C ATOM 825 O ALA A 52 2.514 2.447 -3.948 1.00 0.00 O ATOM 826 CB ALA A 52 1.265 5.490 -4.430 1.00 0.00 C ATOM 0 H ALA A 52 0.362 5.692 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 52 0.299 3.619 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.703 5.171 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.324 6.006 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.953 6.166 -3.922 1.00 0.00 H new ATOM 832 N SER A 53 3.158 4.009 -2.462 1.00 0.00 N ATOM 833 CA SER A 53 4.431 3.362 -2.167 1.00 0.00 C ATOM 834 C SER A 53 4.211 2.015 -1.486 1.00 0.00 C ATOM 835 O SER A 53 4.838 1.018 -1.843 1.00 0.00 O ATOM 836 CB SER A 53 5.291 4.262 -1.278 1.00 0.00 C ATOM 837 OG SER A 53 4.572 4.683 -0.132 1.00 0.00 O ATOM 0 H SER A 53 2.995 4.874 -1.946 1.00 0.00 H new ATOM 0 HA SER A 53 4.951 3.192 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.188 3.725 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.619 5.133 -1.846 1.00 0.00 H new ATOM 0 HG SER A 53 5.144 5.256 0.421 1.00 0.00 H new ATOM 843 N GLN A 54 3.316 1.994 -0.504 1.00 0.00 N ATOM 844 CA GLN A 54 3.013 0.770 0.228 1.00 0.00 C ATOM 845 C GLN A 54 2.564 -0.335 -0.722 1.00 0.00 C ATOM 846 O GLN A 54 2.991 -1.484 -0.600 1.00 0.00 O ATOM 847 CB GLN A 54 1.929 1.031 1.275 1.00 0.00 C ATOM 848 CG GLN A 54 2.029 0.128 2.493 1.00 0.00 C ATOM 849 CD GLN A 54 3.280 0.385 3.310 1.00 0.00 C ATOM 850 OE1 GLN A 54 4.083 1.258 2.979 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.453 -0.376 4.384 1.00 0.00 N ATOM 0 H GLN A 54 2.788 2.811 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 54 3.923 0.443 0.732 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.990 2.070 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.950 0.898 0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.152 0.276 3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.018 -0.913 2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.762 -1.088 4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.277 -0.249 4.972 1.00 0.00 H new ATOM 860 N VAL A 55 1.700 0.019 -1.668 1.00 0.00 N ATOM 861 CA VAL A 55 1.193 -0.943 -2.639 1.00 0.00 C ATOM 862 C VAL A 55 2.334 -1.620 -3.389 1.00 0.00 C ATOM 863 O VAL A 55 2.278 -2.816 -3.675 1.00 0.00 O ATOM 864 CB VAL A 55 0.252 -0.270 -3.657 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.242 -1.283 -4.678 1.00 0.00 C ATOM 866 CG2 VAL A 55 -0.916 0.394 -2.944 1.00 0.00 C ATOM 0 H VAL A 55 1.337 0.965 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 55 0.634 -1.693 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 55 0.810 0.502 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.905 -0.790 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.609 -1.708 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.785 -2.079 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.570 0.864 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.476 -0.357 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.539 1.151 -2.256 1.00 0.00 H new ATOM 876 N GLN A 56 3.369 -0.848 -3.704 1.00 0.00 N ATOM 877 CA GLN A 56 4.524 -1.374 -4.421 1.00 0.00 C ATOM 878 C GLN A 56 5.144 -2.547 -3.668 1.00 0.00 C ATOM 879 O GLN A 56 5.433 -3.591 -4.253 1.00 0.00 O ATOM 880 CB GLN A 56 5.568 -0.275 -4.625 1.00 0.00 C ATOM 881 CG GLN A 56 5.033 0.943 -5.361 1.00 0.00 C ATOM 882 CD GLN A 56 5.125 0.801 -6.868 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.218 0.751 -7.433 1.00 0.00 O ATOM 884 NE2 GLN A 56 3.974 0.735 -7.527 1.00 0.00 N ATOM 0 H GLN A 56 3.431 0.144 -3.474 1.00 0.00 H new ATOM 0 HA GLN A 56 4.185 -1.729 -5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.950 0.037 -3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.411 -0.685 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.993 1.106 -5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.591 1.826 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.091 0.780 -7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.973 0.639 -8.542 1.00 0.00 H new ATOM 893 N LYS A 57 5.347 -2.368 -2.367 1.00 0.00 N ATOM 894 CA LYS A 57 5.932 -3.411 -1.533 1.00 0.00 C ATOM 895 C LYS A 57 4.863 -4.388 -1.054 1.00 0.00 C ATOM 896 O LYS A 57 5.082 -5.149 -0.111 1.00 0.00 O ATOM 897 CB LYS A 57 6.646 -2.790 -0.330 1.00 0.00 C ATOM 898 CG LYS A 57 7.798 -1.877 -0.712 1.00 0.00 C ATOM 899 CD LYS A 57 8.117 -0.888 0.397 1.00 0.00 C ATOM 900 CE LYS A 57 9.102 -1.472 1.399 1.00 0.00 C ATOM 901 NZ LYS A 57 10.469 -1.599 0.823 1.00 0.00 N ATOM 0 H LYS A 57 5.115 -1.510 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 57 6.657 -3.959 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.924 -2.223 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.022 -3.588 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.681 -2.477 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.547 -1.335 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.532 0.023 -0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.198 -0.607 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.139 -0.837 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.752 -2.452 1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.163 -1.686 1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.514 -2.444 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.686 -0.755 0.255 1.00 0.00 H new ATOM 915 N TYR A 58 3.709 -4.363 -1.711 1.00 0.00 N ATOM 916 CA TYR A 58 2.606 -5.246 -1.351 1.00 0.00 C ATOM 917 C TYR A 58 2.280 -6.203 -2.493 1.00 0.00 C ATOM 918 O TYR A 58 1.557 -7.183 -2.311 1.00 0.00 O ATOM 919 CB TYR A 58 1.366 -4.427 -0.988 1.00 0.00 C ATOM 920 CG TYR A 58 1.284 -4.070 0.479 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.435 -3.881 1.233 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.055 -3.924 1.111 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.365 -3.556 2.574 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.025 -3.598 2.451 1.00 0.00 C ATOM 925 CZ TYR A 58 1.133 -3.415 3.178 1.00 0.00 C ATOM 926 OH TYR A 58 1.057 -3.092 4.514 1.00 0.00 O ATOM 0 H TYR A 58 3.513 -3.741 -2.495 1.00 0.00 H new ATOM 0 HA TYR A 58 2.912 -5.833 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.361 -3.510 -1.577 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.475 -4.990 -1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.401 -3.990 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.853 -4.068 0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.270 -3.413 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.988 -3.487 2.927 1.00 0.00 H new ATOM 0 HH TYR A 58 0.117 -3.030 4.783 1.00 0.00 H new ATOM 936 N PHE A 59 2.819 -5.912 -3.672 1.00 0.00 N ATOM 937 CA PHE A 59 2.587 -6.746 -4.846 1.00 0.00 C ATOM 938 C PHE A 59 3.898 -7.052 -5.564 1.00 0.00 C ATOM 939 O PHE A 59 4.216 -8.211 -5.832 1.00 0.00 O ATOM 940 CB PHE A 59 1.616 -6.055 -5.805 1.00 0.00 C ATOM 941 CG PHE A 59 0.242 -5.860 -5.230 1.00 0.00 C ATOM 942 CD1 PHE A 59 0.052 -5.077 -4.103 1.00 0.00 C ATOM 943 CD2 PHE A 59 -0.860 -6.461 -5.817 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.211 -4.898 -3.572 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.126 -6.284 -5.291 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.301 -5.501 -4.167 1.00 0.00 C ATOM 0 H PHE A 59 3.420 -5.105 -3.840 1.00 0.00 H new ATOM 0 HA PHE A 59 2.149 -7.686 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.025 -5.084 -6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.539 -6.645 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.901 -4.601 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.728 -7.075 -6.696 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.345 -4.287 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.977 -6.757 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.289 -5.361 -3.754 1.00 0.00 H new ATOM 956 N ILE A 60 4.654 -6.004 -5.874 1.00 0.00 N ATOM 957 CA ILE A 60 5.930 -6.160 -6.561 1.00 0.00 C ATOM 958 C ILE A 60 6.876 -7.054 -5.767 1.00 0.00 C ATOM 959 O ILE A 60 7.553 -7.915 -6.329 1.00 0.00 O ATOM 960 CB ILE A 60 6.610 -4.799 -6.802 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.686 -3.878 -7.602 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.934 -4.989 -7.525 1.00 0.00 C ATOM 963 CD1 ILE A 60 6.168 -2.445 -7.665 1.00 0.00 C ATOM 0 H ILE A 60 4.405 -5.038 -5.660 1.00 0.00 H new ATOM 0 HA ILE A 60 5.715 -6.625 -7.523 1.00 0.00 H new ATOM 0 HB ILE A 60 6.810 -4.333 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.590 -4.265 -8.616 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.691 -3.899 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.402 -4.018 -7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.593 -5.613 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.758 -5.473 -8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.465 -1.850 -8.247 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.237 -2.040 -6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.150 -2.412 -8.138 1.00 0.00 H new