USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 555 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 46 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.9!) USER MOD Set 2.1: A 11 MET CE :methyl 174:sc= 0 (180deg=0) USER MOD Set 2.2: A 16 GLN : amide:sc= 0.785 K(o=0.78,f=-0.18) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 18 SER OG : rot 180:sc= -0.173 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0.447 USER MOD Single : A 24 ASN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0.0449 (180deg=-0.698) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 1.01 (180deg=0.883) USER MOD Single : A 33 MET CE :methyl -147:sc= -0.454 (180deg=-1.45) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0328 F(o=-0.97,f=-0.033) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -133:sc= -1.96! (180deg=-4.57!) USER MOD Single : A 42 CYS SG : rot 180:sc= -1.62 USER MOD Single : A 45 SER OG : rot 180:sc= -0.339 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -155:sc= 0.164 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= -0.813 (180deg=-1.07) USER MOD Single : A 66 CYS SG : rot -20:sc= 0.0302 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS :FLIP no HE2:sc= 0.363 F(o=-1.2,f=0.36) USER MOD Single : A 77 LYS NZ :NH3+ -113:sc= 0.971 (180deg=-2.35) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 14.161 1.070 -0.881 1.00 11.45 N ATOM 147 CA HIS A 10 14.131 1.936 -2.067 1.00 13.13 C ATOM 148 C HIS A 10 12.989 1.520 -3.005 1.00 40.44 C ATOM 149 O HIS A 10 13.003 1.829 -4.194 1.00 1.33 O ATOM 150 CB HIS A 10 15.471 1.862 -2.812 1.00 63.11 C ATOM 151 CG HIS A 10 16.653 2.206 -1.961 1.00 51.13 C ATOM 152 ND1 HIS A 10 17.554 1.267 -1.517 1.00 63.45 N ATOM 153 CD2 HIS A 10 17.084 3.395 -1.473 1.00 50.11 C ATOM 154 CE1 HIS A 10 18.486 1.854 -0.799 1.00 34.32 C ATOM 155 NE2 HIS A 10 18.226 3.145 -0.753 1.00 53.52 N ATOM 0 HA HIS A 10 13.962 2.962 -1.741 1.00 13.13 H new ATOM 0 HB2 HIS A 10 15.601 0.855 -3.209 1.00 63.11 H new ATOM 0 HB3 HIS A 10 15.440 2.539 -3.666 1.00 63.11 H new ATOM 0 HD2 HIS A 10 16.617 4.357 -1.622 1.00 50.11 H new ATOM 0 HE1 HIS A 10 19.323 1.361 -0.327 1.00 34.32 H new ATOM 0 HE2 HIS A 10 18.783 3.845 -0.262 1.00 53.52 H new ATOM 164 N MET A 11 11.995 0.827 -2.450 1.00 15.40 N ATOM 165 CA MET A 11 10.859 0.322 -3.230 1.00 71.11 C ATOM 166 C MET A 11 9.820 1.421 -3.515 1.00 1.44 C ATOM 167 O MET A 11 8.977 1.267 -4.392 1.00 53.25 O ATOM 168 CB MET A 11 10.191 -0.842 -2.482 1.00 54.20 C ATOM 169 CG MET A 11 11.137 -1.998 -2.181 1.00 52.30 C ATOM 170 SD MET A 11 10.334 -3.336 -1.275 1.00 2.10 S ATOM 171 CE MET A 11 11.701 -4.475 -1.072 1.00 41.51 C ATOM 0 H MET A 11 11.951 0.600 -1.457 1.00 15.40 H new ATOM 0 HA MET A 11 11.245 -0.024 -4.189 1.00 71.11 H new ATOM 0 HB2 MET A 11 9.776 -0.470 -1.545 1.00 54.20 H new ATOM 0 HB3 MET A 11 9.356 -1.213 -3.076 1.00 54.20 H new ATOM 0 HG2 MET A 11 11.538 -2.388 -3.117 1.00 52.30 H new ATOM 0 HG3 MET A 11 11.983 -1.629 -1.601 1.00 52.30 H new ATOM 0 HE1 MET A 11 11.391 -5.306 -0.438 1.00 41.51 H new ATOM 0 HE2 MET A 11 12.005 -4.856 -2.047 1.00 41.51 H new ATOM 0 HE3 MET A 11 12.540 -3.957 -0.608 1.00 41.51 H new ATOM 181 N LEU A 12 9.892 2.531 -2.775 1.00 54.03 N ATOM 182 CA LEU A 12 8.920 3.628 -2.920 1.00 13.43 C ATOM 183 C LEU A 12 8.834 4.149 -4.377 1.00 35.34 C ATOM 184 O LEU A 12 7.732 4.363 -4.894 1.00 21.33 O ATOM 185 CB LEU A 12 9.250 4.767 -1.943 1.00 64.33 C ATOM 186 CG LEU A 12 9.238 4.370 -0.456 1.00 74.13 C ATOM 187 CD1 LEU A 12 9.634 5.552 0.426 1.00 63.31 C ATOM 188 CD2 LEU A 12 7.867 3.828 -0.051 1.00 14.13 C ATOM 0 H LEU A 12 10.610 2.697 -2.070 1.00 54.03 H new ATOM 0 HA LEU A 12 7.936 3.229 -2.673 1.00 13.43 H new ATOM 0 HB2 LEU A 12 10.235 5.164 -2.190 1.00 64.33 H new ATOM 0 HB3 LEU A 12 8.534 5.575 -2.094 1.00 64.33 H new ATOM 0 HG LEU A 12 9.973 3.579 -0.312 1.00 74.13 H new ATOM 0 HD11 LEU A 12 9.618 5.247 1.472 1.00 63.31 H new ATOM 0 HD12 LEU A 12 10.638 5.884 0.160 1.00 63.31 H new ATOM 0 HD13 LEU A 12 8.929 6.370 0.276 1.00 63.31 H new ATOM 0 HD21 LEU A 12 7.881 3.554 1.004 1.00 14.13 H new ATOM 0 HD22 LEU A 12 7.110 4.594 -0.216 1.00 14.13 H new ATOM 0 HD23 LEU A 12 7.631 2.949 -0.651 1.00 14.13 H new ATOM 200 N PRO A 13 9.981 4.392 -5.058 1.00 32.21 N ATOM 201 CA PRO A 13 9.991 4.624 -6.510 1.00 14.10 C ATOM 202 C PRO A 13 9.703 3.321 -7.285 1.00 62.12 C ATOM 203 O PRO A 13 10.190 2.251 -6.911 1.00 20.31 O ATOM 204 CB PRO A 13 11.421 5.129 -6.800 1.00 22.45 C ATOM 205 CG PRO A 13 12.021 5.423 -5.463 1.00 12.02 C ATOM 206 CD PRO A 13 11.337 4.500 -4.494 1.00 1.02 C ATOM 0 HA PRO A 13 9.223 5.332 -6.822 1.00 14.10 H new ATOM 0 HB2 PRO A 13 12.002 4.377 -7.334 1.00 22.45 H new ATOM 0 HB3 PRO A 13 11.402 6.021 -7.426 1.00 22.45 H new ATOM 0 HG2 PRO A 13 13.098 5.252 -5.472 1.00 12.02 H new ATOM 0 HG3 PRO A 13 11.866 6.466 -5.186 1.00 12.02 H new ATOM 0 HD2 PRO A 13 11.832 3.530 -4.439 1.00 1.02 H new ATOM 0 HD3 PRO A 13 11.325 4.909 -3.484 1.00 1.02 H new ATOM 214 N PRO A 14 8.899 3.378 -8.369 1.00 3.21 N ATOM 215 CA PRO A 14 8.529 2.177 -9.146 1.00 74.44 C ATOM 216 C PRO A 14 9.745 1.401 -9.696 1.00 32.02 C ATOM 217 O PRO A 14 10.202 1.639 -10.820 1.00 33.51 O ATOM 218 CB PRO A 14 7.668 2.740 -10.292 1.00 23.12 C ATOM 219 CG PRO A 14 7.174 4.054 -9.781 1.00 32.14 C ATOM 220 CD PRO A 14 8.277 4.599 -8.917 1.00 52.54 C ATOM 0 HA PRO A 14 8.011 1.446 -8.525 1.00 74.44 H new ATOM 0 HB2 PRO A 14 8.253 2.864 -11.203 1.00 23.12 H new ATOM 0 HB3 PRO A 14 6.841 2.072 -10.532 1.00 23.12 H new ATOM 0 HG2 PRO A 14 6.949 4.734 -10.603 1.00 32.14 H new ATOM 0 HG3 PRO A 14 6.254 3.930 -9.209 1.00 32.14 H new ATOM 0 HD2 PRO A 14 8.988 5.191 -9.494 1.00 52.54 H new ATOM 0 HD3 PRO A 14 7.891 5.245 -8.128 1.00 52.54 H new ATOM 228 N GLU A 15 10.282 0.491 -8.880 1.00 41.14 N ATOM 229 CA GLU A 15 11.401 -0.369 -9.285 1.00 41.31 C ATOM 230 C GLU A 15 11.094 -1.850 -9.006 1.00 34.21 C ATOM 231 O GLU A 15 10.684 -2.591 -9.903 1.00 51.15 O ATOM 232 CB GLU A 15 12.691 0.046 -8.557 1.00 22.13 C ATOM 233 CG GLU A 15 13.905 -0.808 -8.925 1.00 10.40 C ATOM 234 CD GLU A 15 15.146 -0.462 -8.115 1.00 13.14 C ATOM 235 OE1 GLU A 15 15.858 0.492 -8.487 1.00 61.20 O ATOM 236 OE2 GLU A 15 15.424 -1.155 -7.109 1.00 54.25 O ATOM 0 H GLU A 15 9.958 0.329 -7.927 1.00 41.14 H new ATOM 0 HA GLU A 15 11.543 -0.245 -10.359 1.00 41.31 H new ATOM 0 HB2 GLU A 15 12.908 1.089 -8.787 1.00 22.13 H new ATOM 0 HB3 GLU A 15 12.527 -0.016 -7.481 1.00 22.13 H new ATOM 0 HG2 GLU A 15 13.661 -1.860 -8.774 1.00 10.40 H new ATOM 0 HG3 GLU A 15 14.123 -0.681 -9.985 1.00 10.40 H new ATOM 243 N GLN A 16 11.276 -2.270 -7.752 1.00 5.33 N ATOM 244 CA GLN A 16 11.050 -3.666 -7.352 1.00 32.21 C ATOM 245 C GLN A 16 9.738 -3.820 -6.559 1.00 41.10 C ATOM 246 O GLN A 16 9.706 -3.682 -5.334 1.00 14.22 O ATOM 247 CB GLN A 16 12.257 -4.186 -6.544 1.00 70.31 C ATOM 248 CG GLN A 16 12.638 -3.308 -5.353 1.00 3.41 C ATOM 249 CD GLN A 16 13.922 -3.753 -4.668 1.00 55.12 C ATOM 250 OE1 GLN A 16 13.908 -4.565 -3.749 1.00 73.34 O ATOM 251 NE2 GLN A 16 15.044 -3.217 -5.099 1.00 1.50 N ATOM 0 H GLN A 16 11.580 -1.663 -6.991 1.00 5.33 H new ATOM 0 HA GLN A 16 10.950 -4.270 -8.254 1.00 32.21 H new ATOM 0 HB2 GLN A 16 12.034 -5.190 -6.184 1.00 70.31 H new ATOM 0 HB3 GLN A 16 13.116 -4.270 -7.209 1.00 70.31 H new ATOM 0 HG2 GLN A 16 12.752 -2.278 -5.691 1.00 3.41 H new ATOM 0 HG3 GLN A 16 11.824 -3.317 -4.628 1.00 3.41 H new ATOM 0 HE21 GLN A 16 15.026 -2.544 -5.865 1.00 1.50 H new ATOM 0 HE22 GLN A 16 15.931 -3.475 -4.667 1.00 1.50 H new ATOM 260 N TRP A 17 8.649 -4.084 -7.279 1.00 3.53 N ATOM 261 CA TRP A 17 7.322 -4.235 -6.668 1.00 44.33 C ATOM 262 C TRP A 17 6.743 -5.642 -6.888 1.00 43.42 C ATOM 263 O TRP A 17 6.306 -5.989 -7.990 1.00 73.10 O ATOM 264 CB TRP A 17 6.358 -3.173 -7.225 1.00 43.23 C ATOM 265 CG TRP A 17 6.595 -1.796 -6.671 1.00 15.41 C ATOM 266 CD1 TRP A 17 7.591 -0.924 -7.014 1.00 3.10 C ATOM 267 CD2 TRP A 17 5.811 -1.132 -5.673 1.00 53.53 C ATOM 268 NE1 TRP A 17 7.474 0.234 -6.286 1.00 15.34 N ATOM 269 CE2 TRP A 17 6.389 0.130 -5.458 1.00 52.21 C ATOM 270 CE3 TRP A 17 4.675 -1.488 -4.940 1.00 74.12 C ATOM 271 CZ2 TRP A 17 5.873 1.042 -4.540 1.00 43.32 C ATOM 272 CZ3 TRP A 17 4.161 -0.583 -4.028 1.00 64.13 C ATOM 273 CH2 TRP A 17 4.760 0.670 -3.836 1.00 62.31 C ATOM 0 H TRP A 17 8.656 -4.199 -8.292 1.00 3.53 H new ATOM 0 HA TRP A 17 7.438 -4.092 -5.594 1.00 44.33 H new ATOM 0 HB2 TRP A 17 6.454 -3.140 -8.310 1.00 43.23 H new ATOM 0 HB3 TRP A 17 5.334 -3.473 -7.005 1.00 43.23 H new ATOM 0 HD1 TRP A 17 8.357 -1.118 -7.750 1.00 3.10 H new ATOM 0 HE1 TRP A 17 8.095 1.041 -6.351 1.00 15.34 H new ATOM 0 HE3 TRP A 17 4.207 -2.451 -5.083 1.00 74.12 H new ATOM 0 HZ2 TRP A 17 6.334 2.007 -4.389 1.00 43.32 H new ATOM 0 HZ3 TRP A 17 3.284 -0.846 -3.455 1.00 64.13 H new ATOM 0 HH2 TRP A 17 4.334 1.355 -3.118 1.00 62.31 H new ATOM 284 N SER A 18 6.763 -6.448 -5.830 1.00 31.03 N ATOM 285 CA SER A 18 6.148 -7.783 -5.840 1.00 3.33 C ATOM 286 C SER A 18 4.900 -7.812 -4.944 1.00 31.15 C ATOM 287 O SER A 18 4.552 -6.811 -4.310 1.00 20.30 O ATOM 288 CB SER A 18 7.160 -8.831 -5.362 1.00 2.34 C ATOM 289 OG SER A 18 6.579 -10.125 -5.314 1.00 40.42 O ATOM 0 H SER A 18 7.202 -6.201 -4.943 1.00 31.03 H new ATOM 0 HA SER A 18 5.846 -8.016 -6.861 1.00 3.33 H new ATOM 0 HB2 SER A 18 8.020 -8.841 -6.032 1.00 2.34 H new ATOM 0 HB3 SER A 18 7.529 -8.559 -4.373 1.00 2.34 H new ATOM 0 HG SER A 18 7.248 -10.773 -5.008 1.00 40.42 H new ATOM 295 N HIS A 19 4.238 -8.968 -4.867 1.00 13.32 N ATOM 296 CA HIS A 19 3.005 -9.103 -4.076 1.00 72.15 C ATOM 297 C HIS A 19 3.282 -8.938 -2.571 1.00 4.45 C ATOM 298 O HIS A 19 2.443 -8.431 -1.823 1.00 12.31 O ATOM 299 CB HIS A 19 2.342 -10.456 -4.357 1.00 5.44 C ATOM 300 CG HIS A 19 1.995 -10.653 -5.803 1.00 72.00 C ATOM 301 ND1 HIS A 19 2.743 -11.429 -6.661 1.00 45.22 N ATOM 302 CD2 HIS A 19 0.977 -10.159 -6.545 1.00 15.02 C ATOM 303 CE1 HIS A 19 2.205 -11.401 -7.861 1.00 20.23 C ATOM 304 NE2 HIS A 19 1.131 -10.638 -7.823 1.00 62.05 N ATOM 0 H HIS A 19 4.530 -9.823 -5.339 1.00 13.32 H new ATOM 0 HA HIS A 19 2.323 -8.307 -4.375 1.00 72.15 H new ATOM 0 HB2 HIS A 19 3.011 -11.255 -4.038 1.00 5.44 H new ATOM 0 HB3 HIS A 19 1.436 -10.541 -3.757 1.00 5.44 H new ATOM 0 HD2 HIS A 19 0.189 -9.508 -6.197 1.00 15.02 H new ATOM 0 HE1 HIS A 19 2.581 -11.917 -8.732 1.00 20.23 H new ATOM 0 HE2 HIS A 19 0.516 -10.437 -8.612 1.00 62.05 H new ATOM 313 N THR A 20 4.465 -9.370 -2.132 1.00 0.21 N ATOM 314 CA THR A 20 4.893 -9.186 -0.737 1.00 2.42 C ATOM 315 C THR A 20 5.272 -7.720 -0.464 1.00 12.54 C ATOM 316 O THR A 20 5.040 -7.196 0.631 1.00 21.11 O ATOM 317 CB THR A 20 6.098 -10.099 -0.394 1.00 35.23 C ATOM 318 OG1 THR A 20 5.761 -11.472 -0.653 1.00 51.22 O ATOM 319 CG2 THR A 20 6.515 -9.948 1.067 1.00 65.45 C ATOM 0 H THR A 20 5.147 -9.850 -2.719 1.00 0.21 H new ATOM 0 HA THR A 20 4.049 -9.461 -0.104 1.00 2.42 H new ATOM 0 HB THR A 20 6.935 -9.796 -1.023 1.00 35.23 H new ATOM 0 HG1 THR A 20 6.527 -12.043 -0.436 1.00 51.22 H new ATOM 0 HG21 THR A 20 7.362 -10.602 1.273 1.00 65.45 H new ATOM 0 HG22 THR A 20 6.800 -8.914 1.259 1.00 65.45 H new ATOM 0 HG23 THR A 20 5.681 -10.220 1.713 1.00 65.45 H new ATOM 327 N THR A 21 5.848 -7.065 -1.474 1.00 72.30 N ATOM 328 CA THR A 21 6.241 -5.649 -1.378 1.00 45.00 C ATOM 329 C THR A 21 5.049 -4.755 -1.013 1.00 40.42 C ATOM 330 O THR A 21 5.072 -4.051 -0.003 1.00 42.35 O ATOM 331 CB THR A 21 6.840 -5.133 -2.713 1.00 73.12 C ATOM 332 OG1 THR A 21 7.958 -5.944 -3.107 1.00 11.11 O ATOM 333 CG2 THR A 21 7.286 -3.678 -2.600 1.00 72.22 C ATOM 0 H THR A 21 6.056 -7.493 -2.376 1.00 72.30 H new ATOM 0 HA THR A 21 6.994 -5.596 -0.591 1.00 45.00 H new ATOM 0 HB THR A 21 6.057 -5.197 -3.468 1.00 73.12 H new ATOM 0 HG1 THR A 21 8.512 -5.449 -3.746 1.00 11.11 H new ATOM 0 HG21 THR A 21 7.700 -3.349 -3.553 1.00 72.22 H new ATOM 0 HG22 THR A 21 6.430 -3.054 -2.342 1.00 72.22 H new ATOM 0 HG23 THR A 21 8.046 -3.590 -1.824 1.00 72.22 H new ATOM 341 N VAL A 22 4.005 -4.806 -1.843 1.00 0.30 N ATOM 342 CA VAL A 22 2.804 -3.984 -1.647 1.00 72.00 C ATOM 343 C VAL A 22 2.224 -4.140 -0.229 1.00 52.54 C ATOM 344 O VAL A 22 1.832 -3.159 0.405 1.00 5.12 O ATOM 345 CB VAL A 22 1.708 -4.340 -2.688 1.00 50.44 C ATOM 346 CG1 VAL A 22 0.485 -3.435 -2.526 1.00 14.20 C ATOM 347 CG2 VAL A 22 2.265 -4.255 -4.111 1.00 61.42 C ATOM 0 H VAL A 22 3.965 -5.411 -2.663 1.00 0.30 H new ATOM 0 HA VAL A 22 3.112 -2.947 -1.783 1.00 72.00 H new ATOM 0 HB VAL A 22 1.391 -5.367 -2.508 1.00 50.44 H new ATOM 0 HG11 VAL A 22 -0.268 -3.705 -3.267 1.00 14.20 H new ATOM 0 HG12 VAL A 22 0.071 -3.559 -1.526 1.00 14.20 H new ATOM 0 HG13 VAL A 22 0.780 -2.396 -2.670 1.00 14.20 H new ATOM 0 HG21 VAL A 22 1.481 -4.508 -4.824 1.00 61.42 H new ATOM 0 HG22 VAL A 22 2.618 -3.242 -4.304 1.00 61.42 H new ATOM 0 HG23 VAL A 22 3.094 -4.954 -4.220 1.00 61.42 H new ATOM 357 N ARG A 23 2.196 -5.374 0.271 1.00 42.00 N ATOM 358 CA ARG A 23 1.637 -5.656 1.599 1.00 25.51 C ATOM 359 C ARG A 23 2.376 -4.883 2.703 1.00 13.34 C ATOM 360 O ARG A 23 1.756 -4.178 3.502 1.00 54.54 O ATOM 361 CB ARG A 23 1.699 -7.158 1.901 1.00 4.52 C ATOM 362 CG ARG A 23 0.851 -7.569 3.101 1.00 41.21 C ATOM 363 CD ARG A 23 1.041 -9.036 3.466 1.00 32.04 C ATOM 364 NE ARG A 23 -0.041 -9.532 4.313 1.00 2.02 N ATOM 365 CZ ARG A 23 0.074 -9.818 5.582 1.00 71.54 C ATOM 366 NH1 ARG A 23 1.190 -9.627 6.214 1.00 62.05 N ATOM 367 NH2 ARG A 23 -0.942 -10.289 6.227 1.00 32.23 N ATOM 0 H ARG A 23 2.552 -6.195 -0.219 1.00 42.00 H new ATOM 0 HA ARG A 23 0.598 -5.328 1.587 1.00 25.51 H new ATOM 0 HB2 ARG A 23 1.366 -7.712 1.023 1.00 4.52 H new ATOM 0 HB3 ARG A 23 2.735 -7.442 2.083 1.00 4.52 H new ATOM 0 HG2 ARG A 23 1.111 -6.947 3.957 1.00 41.21 H new ATOM 0 HG3 ARG A 23 -0.200 -7.385 2.881 1.00 41.21 H new ATOM 0 HD2 ARG A 23 1.092 -9.633 2.555 1.00 32.04 H new ATOM 0 HD3 ARG A 23 1.993 -9.161 3.983 1.00 32.04 H new ATOM 0 HE ARG A 23 -0.955 -9.665 3.881 1.00 2.02 H new ATOM 0 HH11 ARG A 23 1.997 -9.247 5.720 1.00 62.05 H new ATOM 0 HH12 ARG A 23 1.260 -9.857 7.205 1.00 62.05 H new ATOM 0 HH21 ARG A 23 -1.829 -10.436 5.745 1.00 32.23 H new ATOM 0 HH22 ARG A 23 -0.857 -10.514 7.218 1.00 32.23 H new ATOM 381 N ASN A 24 3.705 -5.007 2.733 1.00 14.24 N ATOM 382 CA ASN A 24 4.525 -4.354 3.766 1.00 61.21 C ATOM 383 C ASN A 24 4.626 -2.835 3.548 1.00 3.31 C ATOM 384 O ASN A 24 5.242 -2.125 4.342 1.00 2.14 O ATOM 385 CB ASN A 24 5.922 -4.982 3.821 1.00 32.03 C ATOM 386 CG ASN A 24 5.877 -6.422 4.300 1.00 65.54 C ATOM 387 OD1 ASN A 24 5.905 -6.692 5.497 1.00 75.55 O ATOM 388 ND2 ASN A 24 5.802 -7.359 3.377 1.00 31.22 N ATOM 0 H ASN A 24 4.239 -5.552 2.056 1.00 14.24 H new ATOM 0 HA ASN A 24 4.028 -4.513 4.723 1.00 61.21 H new ATOM 0 HB2 ASN A 24 6.377 -4.943 2.831 1.00 32.03 H new ATOM 0 HB3 ASN A 24 6.557 -4.398 4.487 1.00 32.03 H new ATOM 0 HD21 ASN A 24 5.765 -8.341 3.649 1.00 31.22 H new ATOM 0 HD22 ASN A 24 5.780 -7.102 2.390 1.00 31.22 H new ATOM 395 N ALA A 25 4.036 -2.347 2.463 1.00 33.04 N ATOM 396 CA ALA A 25 3.889 -0.905 2.240 1.00 53.44 C ATOM 397 C ALA A 25 2.517 -0.418 2.731 1.00 40.25 C ATOM 398 O ALA A 25 2.338 0.750 3.066 1.00 5.31 O ATOM 399 CB ALA A 25 4.071 -0.579 0.761 1.00 54.25 C ATOM 0 H ALA A 25 3.649 -2.927 1.719 1.00 33.04 H new ATOM 0 HA ALA A 25 4.660 -0.387 2.810 1.00 53.44 H new ATOM 0 HB1 ALA A 25 3.959 0.495 0.609 1.00 54.25 H new ATOM 0 HB2 ALA A 25 5.065 -0.890 0.440 1.00 54.25 H new ATOM 0 HB3 ALA A 25 3.319 -1.108 0.176 1.00 54.25 H new ATOM 405 N LEU A 26 1.556 -1.338 2.783 1.00 24.43 N ATOM 406 CA LEU A 26 0.178 -1.016 3.168 1.00 44.14 C ATOM 407 C LEU A 26 -0.034 -1.146 4.690 1.00 34.41 C ATOM 408 O LEU A 26 -0.399 -0.177 5.361 1.00 41.11 O ATOM 409 CB LEU A 26 -0.794 -1.938 2.396 1.00 33.04 C ATOM 410 CG LEU A 26 -2.295 -1.566 2.444 1.00 23.43 C ATOM 411 CD1 LEU A 26 -3.047 -2.248 1.305 1.00 41.34 C ATOM 412 CD2 LEU A 26 -2.929 -1.946 3.787 1.00 50.13 C ATOM 0 H LEU A 26 1.706 -2.322 2.562 1.00 24.43 H new ATOM 0 HA LEU A 26 -0.022 0.023 2.908 1.00 44.14 H new ATOM 0 HB2 LEU A 26 -0.483 -1.961 1.352 1.00 33.04 H new ATOM 0 HB3 LEU A 26 -0.682 -2.950 2.784 1.00 33.04 H new ATOM 0 HG LEU A 26 -2.369 -0.484 2.330 1.00 23.43 H new ATOM 0 HD11 LEU A 26 -4.102 -1.977 1.352 1.00 41.34 H new ATOM 0 HD12 LEU A 26 -2.631 -1.926 0.350 1.00 41.34 H new ATOM 0 HD13 LEU A 26 -2.946 -3.329 1.398 1.00 41.34 H new ATOM 0 HD21 LEU A 26 -3.983 -1.669 3.783 1.00 50.13 H new ATOM 0 HD22 LEU A 26 -2.837 -3.021 3.942 1.00 50.13 H new ATOM 0 HD23 LEU A 26 -2.419 -1.418 4.593 1.00 50.13 H new ATOM 424 N LYS A 27 0.209 -2.343 5.240 1.00 74.03 N ATOM 425 CA LYS A 27 -0.135 -2.632 6.645 1.00 44.44 C ATOM 426 C LYS A 27 0.593 -1.724 7.660 1.00 23.54 C ATOM 427 O LYS A 27 0.169 -1.613 8.807 1.00 31.24 O ATOM 428 CB LYS A 27 0.077 -4.130 6.981 1.00 43.15 C ATOM 429 CG LYS A 27 1.419 -4.731 6.540 1.00 75.24 C ATOM 430 CD LYS A 27 2.615 -4.189 7.323 1.00 60.10 C ATOM 431 CE LYS A 27 2.510 -4.462 8.822 1.00 5.25 C ATOM 432 NZ LYS A 27 3.681 -3.919 9.562 1.00 60.41 N ATOM 0 H LYS A 27 0.638 -3.123 4.742 1.00 74.03 H new ATOM 0 HA LYS A 27 -1.196 -2.402 6.744 1.00 44.44 H new ATOM 0 HB2 LYS A 27 -0.020 -4.258 8.059 1.00 43.15 H new ATOM 0 HB3 LYS A 27 -0.726 -4.704 6.518 1.00 43.15 H new ATOM 0 HG2 LYS A 27 1.379 -5.814 6.656 1.00 75.24 H new ATOM 0 HG3 LYS A 27 1.568 -4.530 5.479 1.00 75.24 H new ATOM 0 HD2 LYS A 27 3.530 -4.640 6.939 1.00 60.10 H new ATOM 0 HD3 LYS A 27 2.695 -3.115 7.158 1.00 60.10 H new ATOM 0 HE2 LYS A 27 1.595 -4.015 9.210 1.00 5.25 H new ATOM 0 HE3 LYS A 27 2.438 -5.536 8.992 1.00 5.25 H new ATOM 0 HZ1 LYS A 27 3.790 -4.429 10.462 1.00 60.41 H new ATOM 0 HZ2 LYS A 27 4.540 -4.040 8.989 1.00 60.41 H new ATOM 0 HZ3 LYS A 27 3.532 -2.908 9.753 1.00 60.41 H new ATOM 446 N ASP A 28 1.680 -1.079 7.246 1.00 52.43 N ATOM 447 CA ASP A 28 2.383 -0.137 8.127 1.00 11.21 C ATOM 448 C ASP A 28 1.685 1.234 8.159 1.00 11.31 C ATOM 449 O ASP A 28 1.707 1.926 9.176 1.00 42.01 O ATOM 450 CB ASP A 28 3.850 0.003 7.712 1.00 2.01 C ATOM 451 CG ASP A 28 4.645 -1.242 8.063 1.00 63.53 C ATOM 452 OD1 ASP A 28 5.046 -1.389 9.237 1.00 31.04 O ATOM 453 OD2 ASP A 28 4.847 -2.098 7.187 1.00 43.50 O ATOM 0 H ASP A 28 2.093 -1.185 6.319 1.00 52.43 H new ATOM 0 HA ASP A 28 2.352 -0.543 9.138 1.00 11.21 H new ATOM 0 HB2 ASP A 28 3.911 0.185 6.639 1.00 2.01 H new ATOM 0 HB3 ASP A 28 4.289 0.869 8.207 1.00 2.01 H new ATOM 458 N LEU A 29 1.059 1.620 7.049 1.00 44.45 N ATOM 459 CA LEU A 29 0.251 2.849 7.007 1.00 2.24 C ATOM 460 C LEU A 29 -1.118 2.623 7.668 1.00 70.43 C ATOM 461 O LEU A 29 -1.711 3.546 8.231 1.00 74.14 O ATOM 462 CB LEU A 29 0.076 3.341 5.558 1.00 52.32 C ATOM 463 CG LEU A 29 1.271 4.121 4.970 1.00 61.24 C ATOM 464 CD1 LEU A 29 1.524 5.402 5.764 1.00 40.42 C ATOM 465 CD2 LEU A 29 2.530 3.257 4.929 1.00 24.13 C ATOM 0 H LEU A 29 1.092 1.106 6.168 1.00 44.45 H new ATOM 0 HA LEU A 29 0.780 3.620 7.568 1.00 2.24 H new ATOM 0 HB2 LEU A 29 -0.120 2.478 4.921 1.00 52.32 H new ATOM 0 HB3 LEU A 29 -0.808 3.978 5.514 1.00 52.32 H new ATOM 0 HG LEU A 29 1.018 4.394 3.945 1.00 61.24 H new ATOM 0 HD11 LEU A 29 2.370 5.936 5.333 1.00 40.42 H new ATOM 0 HD12 LEU A 29 0.637 6.035 5.725 1.00 40.42 H new ATOM 0 HD13 LEU A 29 1.745 5.150 6.801 1.00 40.42 H new ATOM 0 HD21 LEU A 29 3.354 3.834 4.510 1.00 24.13 H new ATOM 0 HD22 LEU A 29 2.786 2.940 5.940 1.00 24.13 H new ATOM 0 HD23 LEU A 29 2.349 2.380 4.308 1.00 24.13 H new ATOM 477 N LEU A 30 -1.603 1.384 7.608 1.00 23.01 N ATOM 478 CA LEU A 30 -2.854 0.992 8.275 1.00 50.33 C ATOM 479 C LEU A 30 -2.767 1.199 9.804 1.00 24.13 C ATOM 480 O LEU A 30 -3.782 1.256 10.499 1.00 12.21 O ATOM 481 CB LEU A 30 -3.162 -0.481 7.956 1.00 2.33 C ATOM 482 CG LEU A 30 -4.520 -1.009 8.455 1.00 32.24 C ATOM 483 CD1 LEU A 30 -5.673 -0.292 7.754 1.00 43.31 C ATOM 484 CD2 LEU A 30 -4.624 -2.521 8.254 1.00 5.23 C ATOM 0 H LEU A 30 -1.148 0.625 7.101 1.00 23.01 H new ATOM 0 HA LEU A 30 -3.658 1.626 7.901 1.00 50.33 H new ATOM 0 HB2 LEU A 30 -3.117 -0.615 6.875 1.00 2.33 H new ATOM 0 HB3 LEU A 30 -2.374 -1.098 8.387 1.00 2.33 H new ATOM 0 HG LEU A 30 -4.589 -0.802 9.523 1.00 32.24 H new ATOM 0 HD11 LEU A 30 -6.622 -0.682 8.123 1.00 43.31 H new ATOM 0 HD12 LEU A 30 -5.615 0.777 7.959 1.00 43.31 H new ATOM 0 HD13 LEU A 30 -5.605 -0.459 6.679 1.00 43.31 H new ATOM 0 HD21 LEU A 30 -5.592 -2.870 8.614 1.00 5.23 H new ATOM 0 HD22 LEU A 30 -4.525 -2.755 7.194 1.00 5.23 H new ATOM 0 HD23 LEU A 30 -3.829 -3.018 8.811 1.00 5.23 H new ATOM 496 N LYS A 31 -1.538 1.304 10.314 1.00 33.11 N ATOM 497 CA LYS A 31 -1.294 1.547 11.743 1.00 43.32 C ATOM 498 C LYS A 31 -1.824 2.928 12.181 1.00 60.23 C ATOM 499 O LYS A 31 -2.295 3.095 13.306 1.00 32.42 O ATOM 500 CB LYS A 31 0.220 1.417 12.024 1.00 3.23 C ATOM 501 CG LYS A 31 0.633 1.549 13.498 1.00 52.54 C ATOM 502 CD LYS A 31 0.884 3.002 13.924 1.00 64.04 C ATOM 503 CE LYS A 31 2.088 3.605 13.209 1.00 24.34 C ATOM 504 NZ LYS A 31 2.314 5.026 13.593 1.00 12.42 N ATOM 0 H LYS A 31 -0.688 1.224 9.756 1.00 33.11 H new ATOM 0 HA LYS A 31 -1.836 0.803 12.327 1.00 43.32 H new ATOM 0 HB2 LYS A 31 0.558 0.449 11.655 1.00 3.23 H new ATOM 0 HB3 LYS A 31 0.745 2.179 11.448 1.00 3.23 H new ATOM 0 HG2 LYS A 31 -0.147 1.121 14.128 1.00 52.54 H new ATOM 0 HG3 LYS A 31 1.537 0.965 13.670 1.00 52.54 H new ATOM 0 HD2 LYS A 31 -0.002 3.601 13.711 1.00 64.04 H new ATOM 0 HD3 LYS A 31 1.044 3.042 15.001 1.00 64.04 H new ATOM 0 HE2 LYS A 31 2.978 3.021 13.443 1.00 24.34 H new ATOM 0 HE3 LYS A 31 1.939 3.541 12.131 1.00 24.34 H new ATOM 0 HZ1 LYS A 31 3.053 5.436 12.987 1.00 12.42 H new ATOM 0 HZ2 LYS A 31 1.431 5.563 13.473 1.00 12.42 H new ATOM 0 HZ3 LYS A 31 2.615 5.073 14.587 1.00 12.42 H new ATOM 518 N ASP A 32 -1.742 3.911 11.284 1.00 74.21 N ATOM 519 CA ASP A 32 -2.152 5.289 11.593 1.00 53.10 C ATOM 520 C ASP A 32 -3.616 5.567 11.207 1.00 23.32 C ATOM 521 O ASP A 32 -4.261 6.457 11.775 1.00 0.13 O ATOM 522 CB ASP A 32 -1.228 6.276 10.875 1.00 62.02 C ATOM 523 CG ASP A 32 0.202 6.177 11.370 1.00 5.41 C ATOM 524 OD1 ASP A 32 0.505 6.750 12.438 1.00 44.44 O ATOM 525 OD2 ASP A 32 1.032 5.517 10.710 1.00 2.34 O ATOM 0 H ASP A 32 -1.395 3.782 10.334 1.00 74.21 H new ATOM 0 HA ASP A 32 -2.072 5.419 12.672 1.00 53.10 H new ATOM 0 HB2 ASP A 32 -1.255 6.083 9.802 1.00 62.02 H new ATOM 0 HB3 ASP A 32 -1.595 7.291 11.026 1.00 62.02 H new ATOM 530 N MET A 33 -4.133 4.818 10.238 1.00 2.15 N ATOM 531 CA MET A 33 -5.517 4.988 9.773 1.00 61.23 C ATOM 532 C MET A 33 -6.190 3.625 9.535 1.00 50.02 C ATOM 533 O MET A 33 -5.658 2.775 8.824 1.00 44.52 O ATOM 534 CB MET A 33 -5.544 5.845 8.495 1.00 1.14 C ATOM 535 CG MET A 33 -4.722 5.276 7.345 1.00 32.22 C ATOM 536 SD MET A 33 -4.554 6.435 5.969 1.00 2.23 S ATOM 537 CE MET A 33 -6.271 6.799 5.604 1.00 3.35 C ATOM 0 H MET A 33 -3.617 4.083 9.754 1.00 2.15 H new ATOM 0 HA MET A 33 -6.082 5.504 10.549 1.00 61.23 H new ATOM 0 HB2 MET A 33 -6.578 5.957 8.168 1.00 1.14 H new ATOM 0 HB3 MET A 33 -5.175 6.843 8.732 1.00 1.14 H new ATOM 0 HG2 MET A 33 -3.731 5.006 7.711 1.00 32.22 H new ATOM 0 HG3 MET A 33 -5.191 4.359 6.987 1.00 32.22 H new ATOM 0 HE1 MET A 33 -6.386 6.974 4.534 1.00 3.35 H new ATOM 0 HE2 MET A 33 -6.893 5.955 5.903 1.00 3.35 H new ATOM 0 HE3 MET A 33 -6.579 7.689 6.153 1.00 3.35 H new ATOM 547 N ASN A 34 -7.368 3.431 10.130 1.00 31.10 N ATOM 548 CA ASN A 34 -8.042 2.126 10.118 1.00 45.41 C ATOM 549 C ASN A 34 -8.763 1.827 8.788 1.00 43.24 C ATOM 550 O ASN A 34 -8.872 2.679 7.903 1.00 72.22 O ATOM 551 CB ASN A 34 -9.034 2.035 11.285 1.00 2.14 C ATOM 552 CG ASN A 34 -8.372 2.332 12.618 1.00 24.13 C ATOM 553 OD1 ASN A 34 -8.405 3.455 13.107 1.00 31.24 O ATOM 554 ND2 ASN A 34 -7.729 1.339 13.197 1.00 41.22 N ATOM 0 H ASN A 34 -7.878 4.161 10.628 1.00 31.10 H new ATOM 0 HA ASN A 34 -7.264 1.371 10.229 1.00 45.41 H new ATOM 0 HB2 ASN A 34 -9.851 2.737 11.122 1.00 2.14 H new ATOM 0 HB3 ASN A 34 -9.472 1.037 11.312 1.00 2.14 H new ATOM 0 HD21 ASN A 34 -7.239 1.493 14.078 1.00 41.22 H new ATOM 0 HD22 ASN A 34 -7.721 0.416 12.764 1.00 41.22 H new ATOM 561 N GLN A 35 -9.276 0.601 8.683 1.00 61.41 N ATOM 562 CA GLN A 35 -9.875 0.087 7.443 1.00 53.32 C ATOM 563 C GLN A 35 -11.148 0.846 7.035 1.00 25.32 C ATOM 564 O GLN A 35 -11.299 1.225 5.877 1.00 31.41 O ATOM 565 CB GLN A 35 -10.210 -1.401 7.609 1.00 54.41 C ATOM 566 CG GLN A 35 -9.031 -2.257 8.062 1.00 34.54 C ATOM 567 CD GLN A 35 -9.428 -3.704 8.311 1.00 73.22 C ATOM 568 OE1 GLN A 35 -9.327 -4.534 7.294 1.00 30.23 O flip ATOM 569 NE2 GLN A 35 -9.828 -4.071 9.411 1.00 25.21 N flip ATOM 0 H GLN A 35 -9.290 -0.067 9.454 1.00 61.41 H new ATOM 0 HA GLN A 35 -9.139 0.233 6.652 1.00 53.32 H new ATOM 0 HB2 GLN A 35 -11.018 -1.502 8.333 1.00 54.41 H new ATOM 0 HB3 GLN A 35 -10.582 -1.787 6.660 1.00 54.41 H new ATOM 0 HG2 GLN A 35 -8.248 -2.223 7.304 1.00 34.54 H new ATOM 0 HG3 GLN A 35 -8.609 -1.836 8.975 1.00 34.54 H new ATOM 0 HE21 GLN A 35 -9.895 -3.403 10.179 1.00 25.21 H new ATOM 0 HE22 GLN A 35 -10.094 -5.045 9.558 1.00 25.21 H new ATOM 578 N SER A 36 -12.059 1.053 7.987 1.00 65.14 N ATOM 579 CA SER A 36 -13.382 1.640 7.699 1.00 4.21 C ATOM 580 C SER A 36 -13.300 2.919 6.843 1.00 1.24 C ATOM 581 O SER A 36 -14.013 3.047 5.843 1.00 65.34 O ATOM 582 CB SER A 36 -14.136 1.933 9.004 1.00 15.13 C ATOM 583 OG SER A 36 -14.381 0.738 9.740 1.00 63.21 O ATOM 0 H SER A 36 -11.910 0.824 8.970 1.00 65.14 H new ATOM 0 HA SER A 36 -13.928 0.898 7.116 1.00 4.21 H new ATOM 0 HB2 SER A 36 -13.556 2.626 9.614 1.00 15.13 H new ATOM 0 HB3 SER A 36 -15.083 2.424 8.777 1.00 15.13 H new ATOM 0 HG SER A 36 -14.861 0.955 10.566 1.00 63.21 H new ATOM 589 N SER A 37 -12.435 3.856 7.231 1.00 13.30 N ATOM 590 CA SER A 37 -12.271 5.118 6.484 1.00 20.22 C ATOM 591 C SER A 37 -11.466 4.923 5.190 1.00 5.41 C ATOM 592 O SER A 37 -11.917 5.293 4.103 1.00 14.10 O ATOM 593 CB SER A 37 -11.585 6.180 7.354 1.00 53.55 C ATOM 594 OG SER A 37 -11.391 7.389 6.633 1.00 32.42 O ATOM 0 H SER A 37 -11.837 3.773 8.053 1.00 13.30 H new ATOM 0 HA SER A 37 -13.272 5.456 6.215 1.00 20.22 H new ATOM 0 HB2 SER A 37 -12.190 6.375 8.239 1.00 53.55 H new ATOM 0 HB3 SER A 37 -10.623 5.803 7.702 1.00 53.55 H new ATOM 0 HG SER A 37 -10.954 8.048 7.211 1.00 32.42 H new ATOM 600 N LEU A 38 -10.276 4.329 5.308 1.00 53.21 N ATOM 601 CA LEU A 38 -9.387 4.126 4.153 1.00 11.21 C ATOM 602 C LEU A 38 -10.090 3.374 3.009 1.00 31.20 C ATOM 603 O LEU A 38 -9.958 3.742 1.843 1.00 51.54 O ATOM 604 CB LEU A 38 -8.122 3.367 4.585 1.00 34.13 C ATOM 605 CG LEU A 38 -7.110 3.065 3.463 1.00 1.33 C ATOM 606 CD1 LEU A 38 -6.617 4.355 2.810 1.00 22.22 C ATOM 607 CD2 LEU A 38 -5.936 2.244 3.999 1.00 0.35 C ATOM 0 H LEU A 38 -9.902 3.979 6.190 1.00 53.21 H new ATOM 0 HA LEU A 38 -9.110 5.111 3.777 1.00 11.21 H new ATOM 0 HB2 LEU A 38 -7.618 3.948 5.358 1.00 34.13 H new ATOM 0 HB3 LEU A 38 -8.424 2.424 5.041 1.00 34.13 H new ATOM 0 HG LEU A 38 -7.618 2.475 2.700 1.00 1.33 H new ATOM 0 HD11 LEU A 38 -5.904 4.114 2.022 1.00 22.22 H new ATOM 0 HD12 LEU A 38 -7.463 4.893 2.382 1.00 22.22 H new ATOM 0 HD13 LEU A 38 -6.132 4.980 3.560 1.00 22.22 H new ATOM 0 HD21 LEU A 38 -5.234 2.042 3.190 1.00 0.35 H new ATOM 0 HD22 LEU A 38 -5.431 2.803 4.787 1.00 0.35 H new ATOM 0 HD23 LEU A 38 -6.305 1.301 4.402 1.00 0.35 H new ATOM 619 N ALA A 39 -10.859 2.345 3.355 1.00 3.34 N ATOM 620 CA ALA A 39 -11.539 1.498 2.362 1.00 33.21 C ATOM 621 C ALA A 39 -12.638 2.247 1.588 1.00 15.21 C ATOM 622 O ALA A 39 -13.268 1.689 0.687 1.00 71.51 O ATOM 623 CB ALA A 39 -12.127 0.274 3.047 1.00 73.14 C ATOM 0 H ALA A 39 -11.032 2.071 4.322 1.00 3.34 H new ATOM 0 HA ALA A 39 -10.789 1.196 1.631 1.00 33.21 H new ATOM 0 HB1 ALA A 39 -12.629 -0.350 2.308 1.00 73.14 H new ATOM 0 HB2 ALA A 39 -11.328 -0.296 3.521 1.00 73.14 H new ATOM 0 HB3 ALA A 39 -12.845 0.590 3.803 1.00 73.14 H new ATOM 629 N LYS A 40 -12.892 3.497 1.964 1.00 74.21 N ATOM 630 CA LYS A 40 -13.818 4.356 1.221 1.00 33.12 C ATOM 631 C LYS A 40 -13.081 5.118 0.113 1.00 4.35 C ATOM 632 O LYS A 40 -13.537 5.183 -1.031 1.00 42.24 O ATOM 633 CB LYS A 40 -14.487 5.365 2.163 1.00 45.22 C ATOM 634 CG LYS A 40 -15.403 4.748 3.212 1.00 4.50 C ATOM 635 CD LYS A 40 -15.971 5.800 4.172 1.00 72.02 C ATOM 636 CE LYS A 40 -16.820 6.863 3.463 1.00 65.42 C ATOM 637 NZ LYS A 40 -15.998 7.849 2.700 1.00 63.21 N ATOM 0 H LYS A 40 -12.470 3.941 2.780 1.00 74.21 H new ATOM 0 HA LYS A 40 -14.579 3.717 0.773 1.00 33.12 H new ATOM 0 HB2 LYS A 40 -13.711 5.938 2.670 1.00 45.22 H new ATOM 0 HB3 LYS A 40 -15.065 6.071 1.566 1.00 45.22 H new ATOM 0 HG2 LYS A 40 -16.224 4.230 2.716 1.00 4.50 H new ATOM 0 HG3 LYS A 40 -14.850 4.000 3.780 1.00 4.50 H new ATOM 0 HD2 LYS A 40 -16.578 5.303 4.928 1.00 72.02 H new ATOM 0 HD3 LYS A 40 -15.149 6.289 4.694 1.00 72.02 H new ATOM 0 HE2 LYS A 40 -17.514 6.371 2.781 1.00 65.42 H new ATOM 0 HE3 LYS A 40 -17.421 7.393 4.202 1.00 65.42 H new ATOM 0 HZ1 LYS A 40 -16.326 8.813 2.913 1.00 63.21 H new ATOM 0 HZ2 LYS A 40 -14.999 7.755 2.974 1.00 63.21 H new ATOM 0 HZ3 LYS A 40 -16.096 7.667 1.681 1.00 63.21 H new ATOM 651 N GLU A 41 -11.936 5.694 0.471 1.00 35.23 N ATOM 652 CA GLU A 41 -11.162 6.542 -0.444 1.00 22.22 C ATOM 653 C GLU A 41 -10.190 5.703 -1.295 1.00 74.12 C ATOM 654 O GLU A 41 -9.738 6.135 -2.357 1.00 4.34 O ATOM 655 CB GLU A 41 -10.375 7.585 0.369 1.00 1.20 C ATOM 656 CG GLU A 41 -11.162 8.202 1.529 1.00 2.20 C ATOM 657 CD GLU A 41 -12.453 8.888 1.099 1.00 61.15 C ATOM 658 OE1 GLU A 41 -12.395 10.056 0.660 1.00 33.33 O ATOM 659 OE2 GLU A 41 -13.538 8.269 1.211 1.00 43.23 O ATOM 0 H GLU A 41 -11.518 5.590 1.395 1.00 35.23 H new ATOM 0 HA GLU A 41 -11.855 7.043 -1.119 1.00 22.22 H new ATOM 0 HB2 GLU A 41 -9.474 7.116 0.765 1.00 1.20 H new ATOM 0 HB3 GLU A 41 -10.052 8.382 -0.300 1.00 1.20 H new ATOM 0 HG2 GLU A 41 -11.400 7.421 2.251 1.00 2.20 H new ATOM 0 HG3 GLU A 41 -10.529 8.927 2.041 1.00 2.20 H new ATOM 666 N CYS A 42 -9.878 4.502 -0.813 1.00 45.20 N ATOM 667 CA CYS A 42 -8.939 3.592 -1.488 1.00 31.35 C ATOM 668 C CYS A 42 -9.654 2.661 -2.478 1.00 21.44 C ATOM 669 O CYS A 42 -10.747 2.165 -2.199 1.00 44.54 O ATOM 670 CB CYS A 42 -8.186 2.747 -0.456 1.00 64.43 C ATOM 671 SG CYS A 42 -7.098 1.489 -1.173 1.00 63.41 S ATOM 0 H CYS A 42 -10.265 4.128 0.054 1.00 45.20 H new ATOM 0 HA CYS A 42 -8.237 4.211 -2.047 1.00 31.35 H new ATOM 0 HB2 CYS A 42 -7.591 3.409 0.174 1.00 64.43 H new ATOM 0 HB3 CYS A 42 -8.911 2.256 0.193 1.00 64.43 H new ATOM 0 HG CYS A 42 -6.507 0.832 -0.220 1.00 63.41 H new ATOM 677 N PRO A 43 -9.049 2.421 -3.661 1.00 12.51 N ATOM 678 CA PRO A 43 -9.594 1.478 -4.658 1.00 73.22 C ATOM 679 C PRO A 43 -9.887 0.081 -4.075 1.00 75.43 C ATOM 680 O PRO A 43 -10.730 -0.658 -4.595 1.00 32.31 O ATOM 681 CB PRO A 43 -8.478 1.398 -5.712 1.00 25.50 C ATOM 682 CG PRO A 43 -7.755 2.698 -5.594 1.00 11.20 C ATOM 683 CD PRO A 43 -7.802 3.060 -4.131 1.00 30.21 C ATOM 0 HA PRO A 43 -10.554 1.817 -5.048 1.00 73.22 H new ATOM 0 HB2 PRO A 43 -7.813 0.556 -5.522 1.00 25.50 H new ATOM 0 HB3 PRO A 43 -8.887 1.261 -6.713 1.00 25.50 H new ATOM 0 HG2 PRO A 43 -6.726 2.607 -5.942 1.00 11.20 H new ATOM 0 HG3 PRO A 43 -8.230 3.467 -6.203 1.00 11.20 H new ATOM 0 HD2 PRO A 43 -6.931 2.683 -3.595 1.00 30.21 H new ATOM 0 HD3 PRO A 43 -7.824 4.140 -3.985 1.00 30.21 H new ATOM 691 N LEU A 44 -9.179 -0.282 -3.004 1.00 52.41 N ATOM 692 CA LEU A 44 -9.374 -1.578 -2.344 1.00 22.00 C ATOM 693 C LEU A 44 -10.440 -1.500 -1.241 1.00 3.51 C ATOM 694 O LEU A 44 -10.276 -0.784 -0.252 1.00 23.13 O ATOM 695 CB LEU A 44 -8.053 -2.082 -1.745 1.00 74.05 C ATOM 696 CG LEU A 44 -6.903 -2.289 -2.746 1.00 34.35 C ATOM 697 CD1 LEU A 44 -5.669 -2.858 -2.046 1.00 31.33 C ATOM 698 CD2 LEU A 44 -7.336 -3.195 -3.898 1.00 23.01 C ATOM 0 H LEU A 44 -8.463 0.303 -2.573 1.00 52.41 H new ATOM 0 HA LEU A 44 -9.720 -2.278 -3.105 1.00 22.00 H new ATOM 0 HB2 LEU A 44 -7.726 -1.372 -0.985 1.00 74.05 H new ATOM 0 HB3 LEU A 44 -8.243 -3.028 -1.237 1.00 74.05 H new ATOM 0 HG LEU A 44 -6.641 -1.316 -3.162 1.00 34.35 H new ATOM 0 HD11 LEU A 44 -4.869 -2.996 -2.774 1.00 31.33 H new ATOM 0 HD12 LEU A 44 -5.339 -2.166 -1.271 1.00 31.33 H new ATOM 0 HD13 LEU A 44 -5.918 -3.818 -1.594 1.00 31.33 H new ATOM 0 HD21 LEU A 44 -6.505 -3.325 -4.591 1.00 23.01 H new ATOM 0 HD22 LEU A 44 -7.635 -4.166 -3.504 1.00 23.01 H new ATOM 0 HD23 LEU A 44 -8.177 -2.741 -4.422 1.00 23.01 H new ATOM 710 N SER A 45 -11.529 -2.247 -1.417 1.00 61.25 N ATOM 711 CA SER A 45 -12.606 -2.297 -0.417 1.00 33.24 C ATOM 712 C SER A 45 -12.132 -2.894 0.917 1.00 73.52 C ATOM 713 O SER A 45 -11.080 -3.538 0.995 1.00 34.31 O ATOM 714 CB SER A 45 -13.793 -3.113 -0.942 1.00 63.34 C ATOM 715 OG SER A 45 -14.786 -3.274 0.062 1.00 14.40 O ATOM 0 H SER A 45 -11.693 -2.827 -2.240 1.00 61.25 H new ATOM 0 HA SER A 45 -12.916 -1.267 -0.238 1.00 33.24 H new ATOM 0 HB2 SER A 45 -14.226 -2.615 -1.810 1.00 63.34 H new ATOM 0 HB3 SER A 45 -13.447 -4.091 -1.276 1.00 63.34 H new ATOM 0 HG SER A 45 -15.533 -3.796 -0.298 1.00 14.40 H new ATOM 721 N GLN A 46 -12.939 -2.699 1.961 1.00 22.32 N ATOM 722 CA GLN A 46 -12.597 -3.157 3.314 1.00 14.32 C ATOM 723 C GLN A 46 -12.363 -4.672 3.352 1.00 31.35 C ATOM 724 O GLN A 46 -11.449 -5.150 4.023 1.00 41.03 O ATOM 725 CB GLN A 46 -13.710 -2.765 4.299 1.00 1.23 C ATOM 726 CG GLN A 46 -13.360 -3.016 5.762 1.00 23.42 C ATOM 727 CD GLN A 46 -14.467 -2.588 6.712 1.00 70.13 C ATOM 728 OE1 GLN A 46 -14.518 -1.445 7.160 1.00 64.33 O ATOM 729 NE2 GLN A 46 -15.366 -3.496 7.024 1.00 70.25 N ATOM 0 H GLN A 46 -13.840 -2.224 1.897 1.00 22.32 H new ATOM 0 HA GLN A 46 -11.667 -2.670 3.609 1.00 14.32 H new ATOM 0 HB2 GLN A 46 -13.942 -1.708 4.168 1.00 1.23 H new ATOM 0 HB3 GLN A 46 -14.613 -3.323 4.051 1.00 1.23 H new ATOM 0 HG2 GLN A 46 -13.154 -4.077 5.905 1.00 23.42 H new ATOM 0 HG3 GLN A 46 -12.445 -2.477 6.010 1.00 23.42 H new ATOM 0 HE21 GLN A 46 -15.297 -4.437 6.636 1.00 70.25 H new ATOM 0 HE22 GLN A 46 -16.132 -3.259 7.654 1.00 70.25 H new ATOM 738 N SER A 47 -13.188 -5.419 2.618 1.00 34.25 N ATOM 739 CA SER A 47 -13.047 -6.882 2.529 1.00 63.32 C ATOM 740 C SER A 47 -11.678 -7.281 1.955 1.00 35.32 C ATOM 741 O SER A 47 -11.024 -8.192 2.461 1.00 25.23 O ATOM 742 CB SER A 47 -14.168 -7.484 1.668 1.00 71.21 C ATOM 743 OG SER A 47 -15.448 -7.240 2.237 1.00 12.50 O ATOM 0 H SER A 47 -13.963 -5.040 2.074 1.00 34.25 H new ATOM 0 HA SER A 47 -13.123 -7.279 3.541 1.00 63.32 H new ATOM 0 HB2 SER A 47 -14.127 -7.058 0.665 1.00 71.21 H new ATOM 0 HB3 SER A 47 -14.013 -8.558 1.565 1.00 71.21 H new ATOM 0 HG SER A 47 -16.140 -7.633 1.666 1.00 12.50 H new ATOM 749 N MET A 48 -11.249 -6.586 0.901 1.00 23.34 N ATOM 750 CA MET A 48 -9.944 -6.848 0.278 1.00 35.51 C ATOM 751 C MET A 48 -8.799 -6.573 1.265 1.00 72.51 C ATOM 752 O MET A 48 -7.983 -7.453 1.548 1.00 63.11 O ATOM 753 CB MET A 48 -9.775 -5.987 -0.983 1.00 2.24 C ATOM 754 CG MET A 48 -10.787 -6.301 -2.077 1.00 62.33 C ATOM 755 SD MET A 48 -10.639 -7.992 -2.697 1.00 45.44 S ATOM 756 CE MET A 48 -11.977 -8.038 -3.893 1.00 73.41 C ATOM 0 H MET A 48 -11.783 -5.838 0.459 1.00 23.34 H new ATOM 0 HA MET A 48 -9.906 -7.900 -0.003 1.00 35.51 H new ATOM 0 HB2 MET A 48 -9.863 -4.936 -0.709 1.00 2.24 H new ATOM 0 HB3 MET A 48 -8.769 -6.130 -1.378 1.00 2.24 H new ATOM 0 HG2 MET A 48 -11.794 -6.147 -1.690 1.00 62.33 H new ATOM 0 HG3 MET A 48 -10.652 -5.602 -2.903 1.00 62.33 H new ATOM 0 HE1 MET A 48 -12.013 -9.022 -4.361 1.00 73.41 H new ATOM 0 HE2 MET A 48 -12.923 -7.841 -3.388 1.00 73.41 H new ATOM 0 HE3 MET A 48 -11.809 -7.279 -4.657 1.00 73.41 H new ATOM 766 N ILE A 49 -8.760 -5.352 1.799 1.00 74.45 N ATOM 767 CA ILE A 49 -7.749 -4.969 2.796 1.00 50.24 C ATOM 768 C ILE A 49 -7.754 -5.936 3.994 1.00 72.02 C ATOM 769 O ILE A 49 -6.704 -6.298 4.528 1.00 61.14 O ATOM 770 CB ILE A 49 -7.986 -3.520 3.309 1.00 32.20 C ATOM 771 CG1 ILE A 49 -7.976 -2.525 2.134 1.00 60.11 C ATOM 772 CG2 ILE A 49 -6.934 -3.133 4.351 1.00 62.41 C ATOM 773 CD1 ILE A 49 -8.226 -1.086 2.544 1.00 74.45 C ATOM 0 H ILE A 49 -9.415 -4.608 1.560 1.00 74.45 H new ATOM 0 HA ILE A 49 -6.779 -5.019 2.301 1.00 50.24 H new ATOM 0 HB ILE A 49 -8.965 -3.482 3.786 1.00 32.20 H new ATOM 0 HG12 ILE A 49 -7.013 -2.586 1.628 1.00 60.11 H new ATOM 0 HG13 ILE A 49 -8.736 -2.824 1.411 1.00 60.11 H new ATOM 0 HG21 ILE A 49 -7.120 -2.116 4.695 1.00 62.41 H new ATOM 0 HG22 ILE A 49 -6.990 -3.818 5.197 1.00 62.41 H new ATOM 0 HG23 ILE A 49 -5.941 -3.189 3.904 1.00 62.41 H new ATOM 0 HD11 ILE A 49 -8.203 -0.447 1.661 1.00 74.45 H new ATOM 0 HD12 ILE A 49 -9.202 -1.009 3.023 1.00 74.45 H new ATOM 0 HD13 ILE A 49 -7.452 -0.767 3.243 1.00 74.45 H new ATOM 785 N SER A 50 -8.953 -6.361 4.388 1.00 53.31 N ATOM 786 CA SER A 50 -9.132 -7.279 5.521 1.00 40.10 C ATOM 787 C SER A 50 -8.387 -8.606 5.310 1.00 41.31 C ATOM 788 O SER A 50 -7.502 -8.959 6.089 1.00 25.12 O ATOM 789 CB SER A 50 -10.625 -7.554 5.741 1.00 3.10 C ATOM 790 OG SER A 50 -10.842 -8.400 6.854 1.00 11.21 O ATOM 0 H SER A 50 -9.825 -6.083 3.937 1.00 53.31 H new ATOM 0 HA SER A 50 -8.710 -6.797 6.403 1.00 40.10 H new ATOM 0 HB2 SER A 50 -11.150 -6.611 5.893 1.00 3.10 H new ATOM 0 HB3 SER A 50 -11.046 -8.013 4.847 1.00 3.10 H new ATOM 0 HG SER A 50 -11.803 -8.553 6.966 1.00 11.21 H new ATOM 796 N SER A 51 -8.742 -9.332 4.246 1.00 22.23 N ATOM 797 CA SER A 51 -8.142 -10.648 3.963 1.00 1.41 C ATOM 798 C SER A 51 -6.621 -10.569 3.761 1.00 32.12 C ATOM 799 O SER A 51 -5.891 -11.478 4.164 1.00 12.13 O ATOM 800 CB SER A 51 -8.796 -11.288 2.731 1.00 31.23 C ATOM 801 OG SER A 51 -10.173 -11.537 2.957 1.00 65.13 O ATOM 0 H SER A 51 -9.441 -9.035 3.565 1.00 22.23 H new ATOM 0 HA SER A 51 -8.327 -11.270 4.839 1.00 1.41 H new ATOM 0 HB2 SER A 51 -8.679 -10.630 1.870 1.00 31.23 H new ATOM 0 HB3 SER A 51 -8.289 -12.222 2.490 1.00 31.23 H new ATOM 0 HG SER A 51 -10.568 -11.943 2.157 1.00 65.13 H new ATOM 807 N ILE A 52 -6.149 -9.485 3.141 1.00 70.53 N ATOM 808 CA ILE A 52 -4.709 -9.285 2.912 1.00 62.24 C ATOM 809 C ILE A 52 -3.925 -9.228 4.238 1.00 43.43 C ATOM 810 O ILE A 52 -2.858 -9.834 4.368 1.00 31.42 O ATOM 811 CB ILE A 52 -4.439 -7.993 2.091 1.00 22.41 C ATOM 812 CG1 ILE A 52 -5.090 -8.102 0.701 1.00 32.31 C ATOM 813 CG2 ILE A 52 -2.935 -7.727 1.964 1.00 52.22 C ATOM 814 CD1 ILE A 52 -4.937 -6.857 -0.153 1.00 21.21 C ATOM 0 H ILE A 52 -6.739 -8.731 2.788 1.00 70.53 H new ATOM 0 HA ILE A 52 -4.361 -10.145 2.339 1.00 62.24 H new ATOM 0 HB ILE A 52 -4.884 -7.151 2.621 1.00 22.41 H new ATOM 0 HG12 ILE A 52 -4.653 -8.949 0.172 1.00 32.31 H new ATOM 0 HG13 ILE A 52 -6.151 -8.317 0.824 1.00 32.31 H new ATOM 0 HG21 ILE A 52 -2.774 -6.818 1.385 1.00 52.22 H new ATOM 0 HG22 ILE A 52 -2.502 -7.607 2.957 1.00 52.22 H new ATOM 0 HG23 ILE A 52 -2.458 -8.567 1.459 1.00 52.22 H new ATOM 0 HD11 ILE A 52 -5.423 -7.014 -1.116 1.00 21.21 H new ATOM 0 HD12 ILE A 52 -5.400 -6.010 0.353 1.00 21.21 H new ATOM 0 HD13 ILE A 52 -3.878 -6.651 -0.310 1.00 21.21 H new ATOM 826 N VAL A 53 -4.458 -8.501 5.218 1.00 51.23 N ATOM 827 CA VAL A 53 -3.827 -8.399 6.541 1.00 70.13 C ATOM 828 C VAL A 53 -4.097 -9.656 7.388 1.00 34.32 C ATOM 829 O VAL A 53 -3.231 -10.117 8.134 1.00 11.31 O ATOM 830 CB VAL A 53 -4.330 -7.143 7.304 1.00 24.11 C ATOM 831 CG1 VAL A 53 -3.657 -7.024 8.672 1.00 34.10 C ATOM 832 CG2 VAL A 53 -4.101 -5.882 6.473 1.00 73.21 C ATOM 0 H VAL A 53 -5.325 -7.972 5.125 1.00 51.23 H new ATOM 0 HA VAL A 53 -2.753 -8.310 6.378 1.00 70.13 H new ATOM 0 HB VAL A 53 -5.402 -7.254 7.469 1.00 24.11 H new ATOM 0 HG11 VAL A 53 -4.028 -6.136 9.184 1.00 34.10 H new ATOM 0 HG12 VAL A 53 -3.885 -7.908 9.268 1.00 34.10 H new ATOM 0 HG13 VAL A 53 -2.578 -6.943 8.541 1.00 34.10 H new ATOM 0 HG21 VAL A 53 -4.460 -5.013 7.024 1.00 73.21 H new ATOM 0 HG22 VAL A 53 -3.036 -5.769 6.270 1.00 73.21 H new ATOM 0 HG23 VAL A 53 -4.643 -5.963 5.531 1.00 73.21 H new ATOM 842 N ASN A 54 -5.300 -10.208 7.250 1.00 41.23 N ATOM 843 CA ASN A 54 -5.714 -11.397 8.003 1.00 64.23 C ATOM 844 C ASN A 54 -4.849 -12.622 7.653 1.00 14.14 C ATOM 845 O ASN A 54 -4.245 -13.244 8.532 1.00 2.24 O ATOM 846 CB ASN A 54 -7.192 -11.698 7.717 1.00 53.20 C ATOM 847 CG ASN A 54 -7.718 -12.917 8.463 1.00 33.24 C ATOM 848 OD1 ASN A 54 -7.236 -13.144 9.667 1.00 31.30 O flip ATOM 849 ND2 ASN A 54 -8.568 -13.647 7.962 1.00 75.33 N flip ATOM 0 H ASN A 54 -6.015 -9.849 6.617 1.00 41.23 H new ATOM 0 HA ASN A 54 -5.578 -11.190 9.064 1.00 64.23 H new ATOM 0 HB2 ASN A 54 -7.791 -10.829 7.989 1.00 53.20 H new ATOM 0 HB3 ASN A 54 -7.323 -11.853 6.646 1.00 53.20 H new ATOM 0 HD21 ASN A 54 -8.924 -13.448 7.027 1.00 75.33 H new ATOM 0 HD22 ASN A 54 -8.918 -14.453 8.480 1.00 75.33 H new ATOM 856 N SER A 55 -4.795 -12.966 6.367 1.00 72.33 N ATOM 857 CA SER A 55 -4.038 -14.139 5.911 1.00 11.03 C ATOM 858 C SER A 55 -2.594 -13.778 5.550 1.00 33.20 C ATOM 859 O SER A 55 -2.337 -13.137 4.530 1.00 64.15 O ATOM 860 CB SER A 55 -4.720 -14.792 4.700 1.00 22.14 C ATOM 861 OG SER A 55 -4.003 -15.941 4.267 1.00 3.23 O ATOM 0 H SER A 55 -5.264 -12.453 5.621 1.00 72.33 H new ATOM 0 HA SER A 55 -4.019 -14.846 6.740 1.00 11.03 H new ATOM 0 HB2 SER A 55 -5.740 -15.073 4.961 1.00 22.14 H new ATOM 0 HB3 SER A 55 -4.787 -14.072 3.884 1.00 22.14 H new ATOM 0 HG SER A 55 -4.458 -16.339 3.496 1.00 3.23 H new ATOM 867 N THR A 56 -1.651 -14.182 6.398 1.00 11.51 N ATOM 868 CA THR A 56 -0.222 -13.986 6.121 1.00 41.25 C ATOM 869 C THR A 56 0.236 -14.872 4.955 1.00 63.52 C ATOM 870 O THR A 56 1.185 -14.547 4.237 1.00 75.22 O ATOM 871 CB THR A 56 0.646 -14.317 7.355 1.00 35.34 C ATOM 872 OG1 THR A 56 0.509 -15.707 7.691 1.00 23.04 O ATOM 873 CG2 THR A 56 0.244 -13.461 8.553 1.00 12.41 C ATOM 0 H THR A 56 -1.846 -14.648 7.284 1.00 11.51 H new ATOM 0 HA THR A 56 -0.094 -12.935 5.862 1.00 41.25 H new ATOM 0 HB THR A 56 1.685 -14.100 7.107 1.00 35.34 H new ATOM 0 HG1 THR A 56 1.063 -15.911 8.473 1.00 23.04 H new ATOM 0 HG21 THR A 56 0.871 -13.714 9.408 1.00 12.41 H new ATOM 0 HG22 THR A 56 0.374 -12.407 8.307 1.00 12.41 H new ATOM 0 HG23 THR A 56 -0.801 -13.649 8.801 1.00 12.41 H new ATOM 881 N TYR A 57 -0.462 -15.991 4.776 1.00 63.44 N ATOM 882 CA TYR A 57 -0.167 -16.954 3.706 1.00 54.34 C ATOM 883 C TYR A 57 -1.098 -16.751 2.495 1.00 23.13 C ATOM 884 O TYR A 57 -1.395 -17.695 1.760 1.00 52.31 O ATOM 885 CB TYR A 57 -0.298 -18.388 4.250 1.00 2.20 C ATOM 886 CG TYR A 57 -1.626 -18.670 4.941 1.00 44.21 C ATOM 887 CD1 TYR A 57 -1.812 -18.359 6.288 1.00 4.21 C ATOM 888 CD2 TYR A 57 -2.693 -19.239 4.249 1.00 54.22 C ATOM 889 CE1 TYR A 57 -3.014 -18.608 6.919 1.00 32.53 C ATOM 890 CE2 TYR A 57 -3.900 -19.488 4.877 1.00 13.21 C ATOM 891 CZ TYR A 57 -4.054 -19.170 6.211 1.00 3.40 C ATOM 892 OH TYR A 57 -5.258 -19.411 6.839 1.00 34.14 O ATOM 0 H TYR A 57 -1.249 -16.260 5.366 1.00 63.44 H new ATOM 0 HA TYR A 57 0.855 -16.788 3.366 1.00 54.34 H new ATOM 0 HB2 TYR A 57 -0.172 -19.091 3.426 1.00 2.20 H new ATOM 0 HB3 TYR A 57 0.513 -18.574 4.954 1.00 2.20 H new ATOM 0 HD1 TYR A 57 -1.001 -17.916 6.847 1.00 4.21 H new ATOM 0 HD2 TYR A 57 -2.576 -19.490 3.205 1.00 54.22 H new ATOM 0 HE1 TYR A 57 -3.139 -18.363 7.963 1.00 32.53 H new ATOM 0 HE2 TYR A 57 -4.718 -19.929 4.326 1.00 13.21 H new ATOM 0 HH TYR A 57 -5.886 -19.809 6.201 1.00 34.14 H new ATOM 902 N TYR A 58 -1.537 -15.511 2.288 1.00 45.21 N ATOM 903 CA TYR A 58 -2.421 -15.166 1.165 1.00 3.12 C ATOM 904 C TYR A 58 -1.829 -15.602 -0.190 1.00 14.24 C ATOM 905 O TYR A 58 -0.609 -15.598 -0.382 1.00 2.40 O ATOM 906 CB TYR A 58 -2.686 -13.652 1.149 1.00 22.02 C ATOM 907 CG TYR A 58 -1.449 -12.814 0.857 1.00 25.40 C ATOM 908 CD1 TYR A 58 -0.473 -12.615 1.829 1.00 1.40 C ATOM 909 CD2 TYR A 58 -1.252 -12.233 -0.396 1.00 65.13 C ATOM 910 CE1 TYR A 58 0.654 -11.862 1.564 1.00 31.01 C ATOM 911 CE2 TYR A 58 -0.125 -11.480 -0.665 1.00 31.41 C ATOM 912 CZ TYR A 58 0.825 -11.299 0.317 1.00 51.21 C ATOM 913 OH TYR A 58 1.950 -10.546 0.053 1.00 52.41 O ATOM 0 H TYR A 58 -1.296 -14.720 2.885 1.00 45.21 H new ATOM 0 HA TYR A 58 -3.358 -15.705 1.310 1.00 3.12 H new ATOM 0 HB2 TYR A 58 -3.446 -13.434 0.399 1.00 22.02 H new ATOM 0 HB3 TYR A 58 -3.095 -13.354 2.114 1.00 22.02 H new ATOM 0 HD1 TYR A 58 -0.599 -13.057 2.806 1.00 1.40 H new ATOM 0 HD2 TYR A 58 -1.993 -12.374 -1.169 1.00 65.13 H new ATOM 0 HE1 TYR A 58 1.399 -11.715 2.331 1.00 31.01 H new ATOM 0 HE2 TYR A 58 0.011 -11.036 -1.640 1.00 31.41 H new ATOM 0 HH TYR A 58 1.757 -9.912 -0.669 1.00 52.41 H new ATOM 923 N ALA A 59 -2.699 -15.975 -1.124 1.00 33.14 N ATOM 924 CA ALA A 59 -2.272 -16.363 -2.473 1.00 0.22 C ATOM 925 C ALA A 59 -2.109 -15.128 -3.372 1.00 71.40 C ATOM 926 O ALA A 59 -2.777 -14.111 -3.173 1.00 60.30 O ATOM 927 CB ALA A 59 -3.274 -17.339 -3.082 1.00 14.40 C ATOM 0 H ALA A 59 -3.707 -16.018 -0.975 1.00 33.14 H new ATOM 0 HA ALA A 59 -1.303 -16.856 -2.398 1.00 0.22 H new ATOM 0 HB1 ALA A 59 -2.946 -17.620 -4.083 1.00 14.40 H new ATOM 0 HB2 ALA A 59 -3.339 -18.230 -2.458 1.00 14.40 H new ATOM 0 HB3 ALA A 59 -4.254 -16.865 -3.141 1.00 14.40 H new ATOM 933 N ASN A 60 -1.223 -15.215 -4.361 1.00 54.12 N ATOM 934 CA ASN A 60 -0.966 -14.083 -5.258 1.00 61.23 C ATOM 935 C ASN A 60 -2.199 -13.751 -6.114 1.00 54.33 C ATOM 936 O ASN A 60 -2.498 -14.436 -7.094 1.00 43.53 O ATOM 937 CB ASN A 60 0.250 -14.370 -6.147 1.00 44.12 C ATOM 938 CG ASN A 60 1.518 -14.569 -5.335 1.00 4.05 C ATOM 939 OD1 ASN A 60 1.665 -14.021 -4.245 1.00 74.50 O ATOM 940 ND2 ASN A 60 2.443 -15.349 -5.852 1.00 54.23 N ATOM 0 H ASN A 60 -0.673 -16.050 -4.564 1.00 54.12 H new ATOM 0 HA ASN A 60 -0.750 -13.211 -4.641 1.00 61.23 H new ATOM 0 HB2 ASN A 60 0.059 -15.261 -6.745 1.00 44.12 H new ATOM 0 HB3 ASN A 60 0.392 -13.544 -6.844 1.00 44.12 H new ATOM 0 HD21 ASN A 60 3.313 -15.513 -5.345 1.00 54.23 H new ATOM 0 HD22 ASN A 60 2.290 -15.789 -6.759 1.00 54.23 H new ATOM 947 N VAL A 61 -2.920 -12.707 -5.708 1.00 21.42 N ATOM 948 CA VAL A 61 -4.127 -12.257 -6.410 1.00 42.30 C ATOM 949 C VAL A 61 -3.803 -11.720 -7.823 1.00 61.24 C ATOM 950 O VAL A 61 -2.665 -11.334 -8.104 1.00 34.02 O ATOM 951 CB VAL A 61 -4.851 -11.163 -5.578 1.00 13.21 C ATOM 952 CG1 VAL A 61 -3.989 -9.904 -5.460 1.00 10.22 C ATOM 953 CG2 VAL A 61 -6.224 -10.839 -6.163 1.00 65.33 C ATOM 0 H VAL A 61 -2.687 -12.149 -4.886 1.00 21.42 H new ATOM 0 HA VAL A 61 -4.783 -13.120 -6.526 1.00 42.30 H new ATOM 0 HB VAL A 61 -5.006 -11.557 -4.574 1.00 13.21 H new ATOM 0 HG11 VAL A 61 -4.519 -9.154 -4.873 1.00 10.22 H new ATOM 0 HG12 VAL A 61 -3.048 -10.152 -4.968 1.00 10.22 H new ATOM 0 HG13 VAL A 61 -3.785 -9.508 -6.455 1.00 10.22 H new ATOM 0 HG21 VAL A 61 -6.705 -10.070 -5.558 1.00 65.33 H new ATOM 0 HG22 VAL A 61 -6.108 -10.477 -7.185 1.00 65.33 H new ATOM 0 HG23 VAL A 61 -6.840 -11.738 -6.164 1.00 65.33 H new ATOM 963 N SER A 62 -4.806 -11.709 -8.708 1.00 2.33 N ATOM 964 CA SER A 62 -4.638 -11.200 -10.083 1.00 11.33 C ATOM 965 C SER A 62 -4.014 -9.795 -10.099 1.00 12.33 C ATOM 966 O SER A 62 -4.449 -8.899 -9.369 1.00 31.40 O ATOM 967 CB SER A 62 -5.989 -11.164 -10.811 1.00 65.31 C ATOM 968 OG SER A 62 -6.635 -12.427 -10.769 1.00 32.05 O ATOM 0 H SER A 62 -5.746 -12.046 -8.501 1.00 2.33 H new ATOM 0 HA SER A 62 -3.961 -11.882 -10.598 1.00 11.33 H new ATOM 0 HB2 SER A 62 -6.630 -10.411 -10.354 1.00 65.31 H new ATOM 0 HB3 SER A 62 -5.837 -10.866 -11.848 1.00 65.31 H new ATOM 0 HG SER A 62 -7.493 -12.371 -11.239 1.00 32.05 H new ATOM 974 N ALA A 63 -3.010 -9.609 -10.954 1.00 10.40 N ATOM 975 CA ALA A 63 -2.246 -8.356 -11.004 1.00 55.03 C ATOM 976 C ALA A 63 -3.117 -7.139 -11.355 1.00 11.25 C ATOM 977 O ALA A 63 -2.932 -6.064 -10.793 1.00 61.34 O ATOM 978 CB ALA A 63 -1.101 -8.486 -11.999 1.00 12.51 C ATOM 0 H ALA A 63 -2.703 -10.312 -11.626 1.00 10.40 H new ATOM 0 HA ALA A 63 -1.851 -8.182 -10.003 1.00 55.03 H new ATOM 0 HB1 ALA A 63 -0.539 -7.553 -12.031 1.00 12.51 H new ATOM 0 HB2 ALA A 63 -0.441 -9.297 -11.690 1.00 12.51 H new ATOM 0 HB3 ALA A 63 -1.502 -8.702 -12.989 1.00 12.51 H new ATOM 984 N ALA A 64 -4.068 -7.319 -12.270 1.00 25.11 N ATOM 985 CA ALA A 64 -4.914 -6.215 -12.755 1.00 62.44 C ATOM 986 C ALA A 64 -5.490 -5.357 -11.614 1.00 24.44 C ATOM 987 O ALA A 64 -5.326 -4.136 -11.601 1.00 43.30 O ATOM 988 CB ALA A 64 -6.044 -6.762 -13.613 1.00 24.42 C ATOM 0 H ALA A 64 -4.277 -8.222 -12.696 1.00 25.11 H new ATOM 0 HA ALA A 64 -4.274 -5.565 -13.352 1.00 62.44 H new ATOM 0 HB1 ALA A 64 -6.664 -5.938 -13.967 1.00 24.42 H new ATOM 0 HB2 ALA A 64 -5.627 -7.295 -14.467 1.00 24.42 H new ATOM 0 HB3 ALA A 64 -6.652 -7.445 -13.021 1.00 24.42 H new ATOM 994 N LYS A 65 -6.153 -6.003 -10.654 1.00 50.42 N ATOM 995 CA LYS A 65 -6.773 -5.289 -9.529 1.00 22.21 C ATOM 996 C LYS A 65 -5.710 -4.641 -8.619 1.00 53.13 C ATOM 997 O LYS A 65 -5.989 -3.679 -7.904 1.00 5.10 O ATOM 998 CB LYS A 65 -7.680 -6.248 -8.733 1.00 34.04 C ATOM 999 CG LYS A 65 -8.441 -5.584 -7.574 1.00 32.31 C ATOM 1000 CD LYS A 65 -7.861 -5.942 -6.199 1.00 73.13 C ATOM 1001 CE LYS A 65 -8.449 -7.233 -5.630 1.00 22.24 C ATOM 1002 NZ LYS A 65 -8.301 -8.392 -6.549 1.00 43.34 N ATOM 0 H LYS A 65 -6.276 -7.015 -10.630 1.00 50.42 H new ATOM 0 HA LYS A 65 -7.387 -4.482 -9.929 1.00 22.21 H new ATOM 0 HB2 LYS A 65 -8.401 -6.697 -9.416 1.00 34.04 H new ATOM 0 HB3 LYS A 65 -7.070 -7.059 -8.334 1.00 34.04 H new ATOM 0 HG2 LYS A 65 -8.417 -4.502 -7.703 1.00 32.31 H new ATOM 0 HG3 LYS A 65 -9.487 -5.887 -7.612 1.00 32.31 H new ATOM 0 HD2 LYS A 65 -6.779 -6.045 -6.281 1.00 73.13 H new ATOM 0 HD3 LYS A 65 -8.051 -5.124 -5.505 1.00 73.13 H new ATOM 0 HE2 LYS A 65 -7.960 -7.462 -4.683 1.00 22.24 H new ATOM 0 HE3 LYS A 65 -9.506 -7.080 -5.414 1.00 22.24 H new ATOM 0 HZ1 LYS A 65 -8.609 -9.260 -6.066 1.00 43.34 H new ATOM 0 HZ2 LYS A 65 -8.886 -8.241 -7.395 1.00 43.34 H new ATOM 0 HZ3 LYS A 65 -7.304 -8.487 -6.830 1.00 43.34 H new ATOM 1016 N CYS A 66 -4.487 -5.164 -8.660 1.00 51.32 N ATOM 1017 CA CYS A 66 -3.373 -4.588 -7.895 1.00 23.30 C ATOM 1018 C CYS A 66 -2.760 -3.383 -8.627 1.00 54.25 C ATOM 1019 O CYS A 66 -2.302 -2.424 -7.999 1.00 70.31 O ATOM 1020 CB CYS A 66 -2.290 -5.642 -7.639 1.00 4.51 C ATOM 1021 SG CYS A 66 -0.856 -5.024 -6.729 1.00 35.22 S ATOM 0 H CYS A 66 -4.238 -5.984 -9.213 1.00 51.32 H new ATOM 0 HA CYS A 66 -3.772 -4.247 -6.940 1.00 23.30 H new ATOM 0 HB2 CYS A 66 -2.729 -6.471 -7.084 1.00 4.51 H new ATOM 0 HB3 CYS A 66 -1.954 -6.042 -8.596 1.00 4.51 H new ATOM 0 HG CYS A 66 -0.812 -3.728 -6.817 1.00 35.22 H new ATOM 1027 N GLN A 67 -2.769 -3.432 -9.961 1.00 11.35 N ATOM 1028 CA GLN A 67 -2.234 -2.345 -10.790 1.00 24.42 C ATOM 1029 C GLN A 67 -2.991 -1.034 -10.540 1.00 61.33 C ATOM 1030 O GLN A 67 -2.391 0.000 -10.241 1.00 15.25 O ATOM 1031 CB GLN A 67 -2.319 -2.710 -12.281 1.00 21.33 C ATOM 1032 CG GLN A 67 -1.516 -3.947 -12.672 1.00 12.15 C ATOM 1033 CD GLN A 67 -1.635 -4.283 -14.152 1.00 70.34 C ATOM 1034 OE1 GLN A 67 -2.649 -4.005 -14.791 1.00 53.02 O ATOM 1035 NE2 GLN A 67 -0.605 -4.883 -14.713 1.00 63.42 N ATOM 0 H GLN A 67 -3.143 -4.217 -10.494 1.00 11.35 H new ATOM 0 HA GLN A 67 -1.189 -2.204 -10.513 1.00 24.42 H new ATOM 0 HB2 GLN A 67 -3.364 -2.872 -12.544 1.00 21.33 H new ATOM 0 HB3 GLN A 67 -1.969 -1.863 -12.871 1.00 21.33 H new ATOM 0 HG2 GLN A 67 -0.467 -3.787 -12.423 1.00 12.15 H new ATOM 0 HG3 GLN A 67 -1.857 -4.798 -12.082 1.00 12.15 H new ATOM 0 HE21 GLN A 67 0.223 -5.101 -14.158 1.00 63.42 H new ATOM 0 HE22 GLN A 67 -0.635 -5.129 -15.702 1.00 63.42 H new ATOM 1044 N GLU A 68 -4.317 -1.088 -10.648 1.00 12.24 N ATOM 1045 CA GLU A 68 -5.151 0.101 -10.458 1.00 24.23 C ATOM 1046 C GLU A 68 -5.164 0.576 -8.996 1.00 12.04 C ATOM 1047 O GLU A 68 -5.632 1.675 -8.699 1.00 55.53 O ATOM 1048 CB GLU A 68 -6.575 -0.151 -10.970 1.00 21.52 C ATOM 1049 CG GLU A 68 -6.641 -0.381 -12.480 1.00 43.55 C ATOM 1050 CD GLU A 68 -5.956 0.725 -13.275 1.00 11.31 C ATOM 1051 OE1 GLU A 68 -6.406 1.888 -13.198 1.00 34.22 O ATOM 1052 OE2 GLU A 68 -4.960 0.439 -13.973 1.00 23.24 O ATOM 0 H GLU A 68 -4.837 -1.938 -10.865 1.00 12.24 H new ATOM 0 HA GLU A 68 -4.708 0.905 -11.046 1.00 24.23 H new ATOM 0 HB2 GLU A 68 -6.990 -1.020 -10.458 1.00 21.52 H new ATOM 0 HB3 GLU A 68 -7.203 0.701 -10.711 1.00 21.52 H new ATOM 0 HG2 GLU A 68 -6.174 -1.337 -12.718 1.00 43.55 H new ATOM 0 HG3 GLU A 68 -7.684 -0.451 -12.787 1.00 43.55 H new ATOM 1059 N PHE A 69 -4.655 -0.247 -8.083 1.00 15.31 N ATOM 1060 CA PHE A 69 -4.385 0.215 -6.719 1.00 72.23 C ATOM 1061 C PHE A 69 -3.112 1.070 -6.709 1.00 3.41 C ATOM 1062 O PHE A 69 -3.090 2.173 -6.156 1.00 71.22 O ATOM 1063 CB PHE A 69 -4.243 -0.965 -5.748 1.00 31.41 C ATOM 1064 CG PHE A 69 -3.792 -0.553 -4.366 1.00 24.21 C ATOM 1065 CD1 PHE A 69 -4.567 0.303 -3.593 1.00 41.54 C ATOM 1066 CD2 PHE A 69 -2.588 -1.013 -3.847 1.00 0.31 C ATOM 1067 CE1 PHE A 69 -4.149 0.686 -2.332 1.00 73.42 C ATOM 1068 CE2 PHE A 69 -2.169 -0.630 -2.587 1.00 54.35 C ATOM 1069 CZ PHE A 69 -2.950 0.219 -1.828 1.00 34.32 C ATOM 0 H PHE A 69 -4.423 -1.225 -8.256 1.00 15.31 H new ATOM 0 HA PHE A 69 -5.230 0.818 -6.385 1.00 72.23 H new ATOM 0 HB2 PHE A 69 -5.200 -1.480 -5.671 1.00 31.41 H new ATOM 0 HB3 PHE A 69 -3.529 -1.679 -6.158 1.00 31.41 H new ATOM 0 HD1 PHE A 69 -5.505 0.673 -3.981 1.00 41.54 H new ATOM 0 HD2 PHE A 69 -1.972 -1.678 -4.435 1.00 0.31 H new ATOM 0 HE1 PHE A 69 -4.760 1.351 -1.740 1.00 73.42 H new ATOM 0 HE2 PHE A 69 -1.231 -0.995 -2.196 1.00 54.35 H new ATOM 0 HZ PHE A 69 -2.624 0.517 -0.842 1.00 34.32 H new ATOM 1079 N GLY A 70 -2.054 0.552 -7.340 1.00 13.11 N ATOM 1080 CA GLY A 70 -0.817 1.312 -7.491 1.00 70.14 C ATOM 1081 C GLY A 70 -1.015 2.605 -8.279 1.00 62.53 C ATOM 1082 O GLY A 70 -0.258 3.564 -8.116 1.00 60.24 O ATOM 0 H GLY A 70 -2.032 -0.382 -7.750 1.00 13.11 H new ATOM 0 HA2 GLY A 70 -0.418 1.549 -6.505 1.00 70.14 H new ATOM 0 HA3 GLY A 70 -0.074 0.694 -7.995 1.00 70.14 H new ATOM 1086 N ARG A 71 -2.035 2.617 -9.141 1.00 74.30 N ATOM 1087 CA ARG A 71 -2.431 3.820 -9.887 1.00 64.12 C ATOM 1088 C ARG A 71 -2.598 5.025 -8.943 1.00 32.43 C ATOM 1089 O ARG A 71 -1.797 5.966 -8.958 1.00 55.13 O ATOM 1090 CB ARG A 71 -3.756 3.554 -10.618 1.00 50.45 C ATOM 1091 CG ARG A 71 -4.232 4.701 -11.508 1.00 71.30 C ATOM 1092 CD ARG A 71 -3.471 4.750 -12.826 1.00 43.24 C ATOM 1093 NE ARG A 71 -3.648 3.526 -13.601 1.00 12.01 N ATOM 1094 CZ ARG A 71 -2.996 3.250 -14.694 1.00 73.10 C ATOM 1095 NH1 ARG A 71 -2.147 4.091 -15.192 1.00 20.14 N ATOM 1096 NH2 ARG A 71 -3.202 2.126 -15.290 1.00 12.01 N ATOM 0 H ARG A 71 -2.609 1.798 -9.343 1.00 74.30 H new ATOM 0 HA ARG A 71 -1.647 4.054 -10.608 1.00 64.12 H new ATOM 0 HB2 ARG A 71 -3.645 2.659 -11.230 1.00 50.45 H new ATOM 0 HB3 ARG A 71 -4.528 3.341 -9.878 1.00 50.45 H new ATOM 0 HG2 ARG A 71 -5.297 4.587 -11.708 1.00 71.30 H new ATOM 0 HG3 ARG A 71 -4.106 5.646 -10.980 1.00 71.30 H new ATOM 0 HD2 ARG A 71 -3.813 5.603 -13.412 1.00 43.24 H new ATOM 0 HD3 ARG A 71 -2.410 4.904 -12.628 1.00 43.24 H new ATOM 0 HE ARG A 71 -4.326 2.842 -13.265 1.00 12.01 H new ATOM 0 HH11 ARG A 71 -1.981 4.984 -14.727 1.00 20.14 H new ATOM 0 HH12 ARG A 71 -1.644 3.861 -16.049 1.00 20.14 H new ATOM 0 HH21 ARG A 71 -3.872 1.460 -14.905 1.00 12.01 H new ATOM 0 HH22 ARG A 71 -2.695 1.903 -16.147 1.00 12.01 H new ATOM 1110 N TRP A 72 -3.645 4.980 -8.123 1.00 64.10 N ATOM 1111 CA TRP A 72 -3.904 6.022 -7.126 1.00 12.15 C ATOM 1112 C TRP A 72 -2.760 6.123 -6.110 1.00 1.23 C ATOM 1113 O TRP A 72 -2.361 7.220 -5.720 1.00 10.11 O ATOM 1114 CB TRP A 72 -5.229 5.738 -6.403 1.00 12.22 C ATOM 1115 CG TRP A 72 -5.535 6.699 -5.285 1.00 31.52 C ATOM 1116 CD1 TRP A 72 -6.015 7.973 -5.403 1.00 15.02 C ATOM 1117 CD2 TRP A 72 -5.386 6.457 -3.879 1.00 3.25 C ATOM 1118 NE1 TRP A 72 -6.165 8.538 -4.160 1.00 52.13 N ATOM 1119 CE2 TRP A 72 -5.790 7.627 -3.209 1.00 61.45 C ATOM 1120 CE3 TRP A 72 -4.951 5.365 -3.125 1.00 32.32 C ATOM 1121 CZ2 TRP A 72 -5.770 7.735 -1.821 1.00 2.13 C ATOM 1122 CZ3 TRP A 72 -4.932 5.471 -1.748 1.00 13.32 C ATOM 1123 CH2 TRP A 72 -5.340 6.648 -1.108 1.00 61.25 C ATOM 0 H TRP A 72 -4.334 4.228 -8.128 1.00 64.10 H new ATOM 0 HA TRP A 72 -3.973 6.977 -7.647 1.00 12.15 H new ATOM 0 HB2 TRP A 72 -6.041 5.771 -7.129 1.00 12.22 H new ATOM 0 HB3 TRP A 72 -5.202 4.725 -6.001 1.00 12.22 H new ATOM 0 HD1 TRP A 72 -6.243 8.464 -6.337 1.00 15.02 H new ATOM 0 HE1 TRP A 72 -6.501 9.483 -3.975 1.00 52.13 H new ATOM 0 HE3 TRP A 72 -4.635 4.453 -3.610 1.00 32.32 H new ATOM 0 HZ2 TRP A 72 -6.082 8.642 -1.325 1.00 2.13 H new ATOM 0 HZ3 TRP A 72 -4.597 4.633 -1.155 1.00 13.32 H new ATOM 0 HH2 TRP A 72 -5.315 6.699 -0.030 1.00 61.25 H new ATOM 1134 N TYR A 73 -2.224 4.973 -5.703 1.00 23.03 N ATOM 1135 CA TYR A 73 -1.170 4.917 -4.683 1.00 21.25 C ATOM 1136 C TYR A 73 0.075 5.732 -5.092 1.00 3.45 C ATOM 1137 O TYR A 73 0.678 6.412 -4.261 1.00 61.20 O ATOM 1138 CB TYR A 73 -0.788 3.457 -4.405 1.00 1.25 C ATOM 1139 CG TYR A 73 0.022 3.259 -3.135 1.00 34.22 C ATOM 1140 CD1 TYR A 73 -0.589 3.321 -1.886 1.00 14.10 C ATOM 1141 CD2 TYR A 73 1.391 3.013 -3.179 1.00 15.03 C ATOM 1142 CE1 TYR A 73 0.137 3.144 -0.724 1.00 61.33 C ATOM 1143 CE2 TYR A 73 2.124 2.835 -2.019 1.00 34.35 C ATOM 1144 CZ TYR A 73 1.490 2.902 -0.796 1.00 63.32 C ATOM 1145 OH TYR A 73 2.214 2.725 0.362 1.00 33.42 O ATOM 0 H TYR A 73 -2.502 4.061 -6.065 1.00 23.03 H new ATOM 0 HA TYR A 73 -1.565 5.367 -3.772 1.00 21.25 H new ATOM 0 HB2 TYR A 73 -1.698 2.861 -4.339 1.00 1.25 H new ATOM 0 HB3 TYR A 73 -0.217 3.075 -5.251 1.00 1.25 H new ATOM 0 HD1 TYR A 73 -1.650 3.511 -1.824 1.00 14.10 H new ATOM 0 HD2 TYR A 73 1.890 2.960 -4.135 1.00 15.03 H new ATOM 0 HE1 TYR A 73 -0.355 3.195 0.236 1.00 61.33 H new ATOM 0 HE2 TYR A 73 3.186 2.645 -2.071 1.00 34.35 H new ATOM 0 HH TYR A 73 3.154 2.563 0.138 1.00 33.42 H new ATOM 1155 N LYS A 74 0.461 5.667 -6.371 1.00 52.10 N ATOM 1156 CA LYS A 74 1.603 6.456 -6.862 1.00 31.22 C ATOM 1157 C LYS A 74 1.291 7.960 -6.799 1.00 31.20 C ATOM 1158 O LYS A 74 2.110 8.755 -6.336 1.00 4.20 O ATOM 1159 CB LYS A 74 1.993 6.051 -8.296 1.00 10.12 C ATOM 1160 CG LYS A 74 3.241 6.775 -8.808 1.00 21.51 C ATOM 1161 CD LYS A 74 3.728 6.243 -10.160 1.00 13.22 C ATOM 1162 CE LYS A 74 2.734 6.511 -11.287 1.00 34.24 C ATOM 1163 NZ LYS A 74 3.280 6.114 -12.616 1.00 41.30 N ATOM 0 H LYS A 74 0.009 5.087 -7.078 1.00 52.10 H new ATOM 0 HA LYS A 74 2.452 6.246 -6.211 1.00 31.22 H new ATOM 0 HB2 LYS A 74 2.166 4.975 -8.329 1.00 10.12 H new ATOM 0 HB3 LYS A 74 1.159 6.260 -8.966 1.00 10.12 H new ATOM 0 HG2 LYS A 74 3.025 7.840 -8.899 1.00 21.51 H new ATOM 0 HG3 LYS A 74 4.040 6.673 -8.074 1.00 21.51 H new ATOM 0 HD2 LYS A 74 4.684 6.706 -10.406 1.00 13.22 H new ATOM 0 HD3 LYS A 74 3.904 5.170 -10.083 1.00 13.22 H new ATOM 0 HE2 LYS A 74 1.811 5.963 -11.095 1.00 34.24 H new ATOM 0 HE3 LYS A 74 2.478 7.571 -11.301 1.00 34.24 H new ATOM 0 HZ1 LYS A 74 2.575 6.312 -13.354 1.00 41.30 H new ATOM 0 HZ2 LYS A 74 4.147 6.655 -12.811 1.00 41.30 H new ATOM 0 HZ3 LYS A 74 3.500 5.098 -12.611 1.00 41.30 H new ATOM 1177 N HIS A 75 0.092 8.340 -7.246 1.00 72.22 N ATOM 1178 CA HIS A 75 -0.354 9.739 -7.160 1.00 33.32 C ATOM 1179 C HIS A 75 -0.409 10.209 -5.695 1.00 24.42 C ATOM 1180 O HIS A 75 -0.086 11.360 -5.386 1.00 22.14 O ATOM 1181 CB HIS A 75 -1.732 9.911 -7.822 1.00 34.22 C ATOM 1182 CG HIS A 75 -1.701 9.816 -9.317 1.00 72.13 C ATOM 1183 ND1 HIS A 75 -1.884 8.762 -10.146 1.00 64.32 N flip ATOM 1184 CD2 HIS A 75 -1.458 10.899 -10.135 1.00 54.13 C flip ATOM 1185 CE1 HIS A 75 -1.745 9.227 -11.429 1.00 23.34 C flip ATOM 1186 NE2 HIS A 75 -1.491 10.517 -11.393 1.00 24.21 N flip ATOM 0 H HIS A 75 -0.586 7.706 -7.669 1.00 72.22 H new ATOM 0 HA HIS A 75 0.370 10.355 -7.694 1.00 33.32 H new ATOM 0 HB2 HIS A 75 -2.409 9.150 -7.433 1.00 34.22 H new ATOM 0 HB3 HIS A 75 -2.143 10.880 -7.537 1.00 34.22 H new ATOM 0 HD1 HIS A 75 -2.087 7.802 -9.869 1.00 64.32 H new ATOM 0 HD2 HIS A 75 -1.269 11.907 -9.795 1.00 54.13 H new ATOM 0 HE1 HIS A 75 -1.830 8.630 -12.325 1.00 23.34 H new ATOM 1195 N PHE A 76 -0.811 9.300 -4.806 1.00 35.34 N ATOM 1196 CA PHE A 76 -0.845 9.555 -3.361 1.00 60.34 C ATOM 1197 C PHE A 76 0.560 9.852 -2.811 1.00 21.33 C ATOM 1198 O PHE A 76 0.734 10.732 -1.966 1.00 30.43 O ATOM 1199 CB PHE A 76 -1.458 8.341 -2.641 1.00 11.14 C ATOM 1200 CG PHE A 76 -1.411 8.416 -1.134 1.00 53.23 C ATOM 1201 CD1 PHE A 76 -2.271 9.252 -0.436 1.00 54.31 C ATOM 1202 CD2 PHE A 76 -0.509 7.640 -0.417 1.00 4.22 C ATOM 1203 CE1 PHE A 76 -2.230 9.315 0.945 1.00 12.23 C ATOM 1204 CE2 PHE A 76 -0.466 7.699 0.962 1.00 11.22 C ATOM 1205 CZ PHE A 76 -1.327 8.538 1.643 1.00 31.43 C ATOM 0 H PHE A 76 -1.123 8.364 -5.065 1.00 35.34 H new ATOM 0 HA PHE A 76 -1.461 10.436 -3.179 1.00 60.34 H new ATOM 0 HB2 PHE A 76 -2.497 8.235 -2.954 1.00 11.14 H new ATOM 0 HB3 PHE A 76 -0.934 7.441 -2.964 1.00 11.14 H new ATOM 0 HD1 PHE A 76 -2.980 9.860 -0.977 1.00 54.31 H new ATOM 0 HD2 PHE A 76 0.167 6.983 -0.944 1.00 4.22 H new ATOM 0 HE1 PHE A 76 -2.903 9.971 1.477 1.00 12.23 H new ATOM 0 HE2 PHE A 76 0.240 7.090 1.507 1.00 11.22 H new ATOM 0 HZ PHE A 76 -1.294 8.586 2.721 1.00 31.43 H new ATOM 1215 N LYS A 77 1.562 9.116 -3.293 1.00 54.42 N ATOM 1216 CA LYS A 77 2.951 9.342 -2.871 1.00 30.22 C ATOM 1217 C LYS A 77 3.540 10.607 -3.524 1.00 30.21 C ATOM 1218 O LYS A 77 4.565 11.128 -3.075 1.00 2.14 O ATOM 1219 CB LYS A 77 3.828 8.119 -3.194 1.00 42.45 C ATOM 1220 CG LYS A 77 3.346 6.826 -2.538 1.00 55.41 C ATOM 1221 CD LYS A 77 4.385 5.699 -2.588 1.00 1.34 C ATOM 1222 CE LYS A 77 4.766 5.281 -4.012 1.00 63.23 C ATOM 1223 NZ LYS A 77 5.777 6.186 -4.623 1.00 12.42 N ATOM 0 H LYS A 77 1.443 8.363 -3.971 1.00 54.42 H new ATOM 0 HA LYS A 77 2.943 9.491 -1.791 1.00 30.22 H new ATOM 0 HB2 LYS A 77 3.856 7.979 -4.275 1.00 42.45 H new ATOM 0 HB3 LYS A 77 4.850 8.320 -2.872 1.00 42.45 H new ATOM 0 HG2 LYS A 77 3.088 7.028 -1.498 1.00 55.41 H new ATOM 0 HG3 LYS A 77 2.434 6.493 -3.034 1.00 55.41 H new ATOM 0 HD2 LYS A 77 5.283 6.020 -2.060 1.00 1.34 H new ATOM 0 HD3 LYS A 77 3.994 4.832 -2.056 1.00 1.34 H new ATOM 0 HE2 LYS A 77 5.157 4.264 -3.996 1.00 63.23 H new ATOM 0 HE3 LYS A 77 3.871 5.269 -4.635 1.00 63.23 H new ATOM 0 HZ1 LYS A 77 5.346 6.704 -5.415 1.00 12.42 H new ATOM 0 HZ2 LYS A 77 6.114 6.863 -3.909 1.00 12.42 H new ATOM 0 HZ3 LYS A 77 6.579 5.624 -4.973 1.00 12.42 H new ATOM 1237 N LYS A 78 2.897 11.086 -4.590 1.00 33.22 N ATOM 1238 CA LYS A 78 3.311 12.331 -5.252 1.00 1.21 C ATOM 1239 C LYS A 78 2.617 13.551 -4.623 1.00 2.13 C ATOM 1240 O LYS A 78 3.231 14.288 -3.848 1.00 54.44 O ATOM 1241 CB LYS A 78 3.007 12.271 -6.760 1.00 14.34 C ATOM 1242 CG LYS A 78 3.781 11.184 -7.498 1.00 31.22 C ATOM 1243 CD LYS A 78 3.453 11.167 -8.991 1.00 25.21 C ATOM 1244 CE LYS A 78 3.832 12.477 -9.676 1.00 12.35 C ATOM 1245 NZ LYS A 78 3.548 12.438 -11.134 1.00 60.40 N ATOM 0 H LYS A 78 2.088 10.634 -5.016 1.00 33.22 H new ATOM 0 HA LYS A 78 4.387 12.438 -5.113 1.00 1.21 H new ATOM 0 HB2 LYS A 78 1.939 12.103 -6.900 1.00 14.34 H new ATOM 0 HB3 LYS A 78 3.239 13.237 -7.207 1.00 14.34 H new ATOM 0 HG2 LYS A 78 4.851 11.344 -7.363 1.00 31.22 H new ATOM 0 HG3 LYS A 78 3.547 10.212 -7.063 1.00 31.22 H new ATOM 0 HD2 LYS A 78 3.982 10.342 -9.469 1.00 25.21 H new ATOM 0 HD3 LYS A 78 2.387 10.983 -9.126 1.00 25.21 H new ATOM 0 HE2 LYS A 78 3.280 13.299 -9.220 1.00 12.35 H new ATOM 0 HE3 LYS A 78 4.892 12.677 -9.517 1.00 12.35 H new ATOM 0 HZ1 LYS A 78 3.818 13.345 -11.565 1.00 60.40 H new ATOM 0 HZ2 LYS A 78 4.094 11.670 -11.574 1.00 60.40 H new ATOM 0 HZ3 LYS A 78 2.533 12.272 -11.286 1.00 60.40 H new