USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=25 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 27 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.18) USER MOD Set 1.2: A 55 SER OG : rot -3:sc= 0.586 USER MOD Set 2.1: A 51 SER OG : rot 52:sc= 0.289 USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0.638 USER MOD Set 3.1: A 18 SER OG : rot 180:sc=0.000264 USER MOD Set 3.2: A 21 THR OG1 : rot 79:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 161:sc= -0.234 (180deg=-0.882) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0145 F(o=-1.1,f=-0.015) USER MOD Single : A 19 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.0044) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.524 K(o=0.52,f=-9.8!) USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= 0.942 (180deg=-0.123) USER MOD Single : A 33 MET CE :methyl 166:sc= -0.0555 (180deg=-0.347) USER MOD Single : A 34 ASN : amide:sc= -0.621 K(o=-0.62,f=-3.4!) USER MOD Single : A 35 GLN :FLIP amide:sc=-0.00229 F(o=-1.4,f=-0.0023) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -37:sc= -2.75! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.69 K(o=0.69,f=0) 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 54 ASN : amide:sc=-0.000569 K(o=-0.00057,f=-0.94) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 62 SER OG : rot 150:sc= -0.4 USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= -0.703 (180deg=-1.95!) USER MOD Single : A 66 CYS SG : rot 180:sc= -4.27! USER MOD Single : A 67 GLN : amide:sc= 0.262 X(o=0.26,f=0) 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 : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= -0.0169 (180deg=-0.121) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc=-0.00586 (180deg=-0.0698) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 14.753 5.184 -5.142 1.00 2.32 N ATOM 147 CA HIS A 10 14.486 4.550 -6.450 1.00 12.12 C ATOM 148 C HIS A 10 13.401 3.461 -6.358 1.00 34.14 C ATOM 149 O HIS A 10 12.642 3.259 -7.304 1.00 72.44 O ATOM 150 CB HIS A 10 15.770 3.956 -7.051 1.00 43.30 C ATOM 151 CG HIS A 10 15.582 3.368 -8.423 1.00 40.51 C ATOM 152 ND1 HIS A 10 15.621 4.119 -9.578 1.00 63.13 N ATOM 153 CD2 HIS A 10 15.338 2.094 -8.822 1.00 64.34 C ATOM 154 CE1 HIS A 10 15.408 3.340 -10.621 1.00 13.44 C ATOM 155 NE2 HIS A 10 15.233 2.109 -10.189 1.00 71.31 N ATOM 0 HA HIS A 10 14.117 5.338 -7.107 1.00 12.12 H new ATOM 0 HB2 HIS A 10 16.531 4.735 -7.101 1.00 43.30 H new ATOM 0 HB3 HIS A 10 16.149 3.182 -6.383 1.00 43.30 H new ATOM 0 HD2 HIS A 10 15.244 1.229 -8.182 1.00 64.34 H new ATOM 0 HE1 HIS A 10 15.382 3.658 -11.653 1.00 13.44 H new ATOM 0 HE2 HIS A 10 15.049 1.296 -10.777 1.00 71.31 H new ATOM 164 N MET A 11 13.335 2.754 -5.231 1.00 15.53 N ATOM 165 CA MET A 11 12.348 1.670 -5.062 1.00 64.44 C ATOM 166 C MET A 11 10.999 2.179 -4.512 1.00 22.22 C ATOM 167 O MET A 11 10.072 1.397 -4.304 1.00 25.23 O ATOM 168 CB MET A 11 12.909 0.570 -4.148 1.00 15.00 C ATOM 169 CG MET A 11 13.276 1.046 -2.747 1.00 33.03 C ATOM 170 SD MET A 11 13.897 -0.292 -1.701 1.00 50.31 S ATOM 171 CE MET A 11 15.279 -0.878 -2.684 1.00 22.30 C ATOM 0 H MET A 11 13.942 2.904 -4.425 1.00 15.53 H new ATOM 0 HA MET A 11 12.159 1.257 -6.053 1.00 64.44 H new ATOM 0 HB2 MET A 11 12.172 -0.229 -4.066 1.00 15.00 H new ATOM 0 HB3 MET A 11 13.794 0.141 -4.617 1.00 15.00 H new ATOM 0 HG2 MET A 11 14.032 1.827 -2.819 1.00 33.03 H new ATOM 0 HG3 MET A 11 12.400 1.493 -2.278 1.00 33.03 H new ATOM 0 HE1 MET A 11 15.957 -1.452 -2.053 1.00 22.30 H new ATOM 0 HE2 MET A 11 14.909 -1.512 -3.490 1.00 22.30 H new ATOM 0 HE3 MET A 11 15.811 -0.026 -3.108 1.00 22.30 H new ATOM 181 N LEU A 12 10.893 3.486 -4.282 1.00 32.35 N ATOM 182 CA LEU A 12 9.650 4.090 -3.772 1.00 54.30 C ATOM 183 C LEU A 12 8.578 4.245 -4.875 1.00 41.45 C ATOM 184 O LEU A 12 7.404 3.967 -4.631 1.00 71.11 O ATOM 185 CB LEU A 12 9.935 5.444 -3.093 1.00 70.01 C ATOM 186 CG LEU A 12 10.560 5.361 -1.688 1.00 44.33 C ATOM 187 CD1 LEU A 12 9.626 4.635 -0.723 1.00 25.33 C ATOM 188 CD2 LEU A 12 11.923 4.673 -1.729 1.00 23.32 C ATOM 0 H LEU A 12 11.649 4.152 -4.439 1.00 32.35 H new ATOM 0 HA LEU A 12 9.246 3.405 -3.026 1.00 54.30 H new ATOM 0 HB2 LEU A 12 10.602 6.020 -3.735 1.00 70.01 H new ATOM 0 HB3 LEU A 12 9.000 6.000 -3.024 1.00 70.01 H new ATOM 0 HG LEU A 12 10.706 6.380 -1.329 1.00 44.33 H new ATOM 0 HD11 LEU A 12 10.087 4.588 0.263 1.00 25.33 H new ATOM 0 HD12 LEU A 12 8.681 5.174 -0.656 1.00 25.33 H new ATOM 0 HD13 LEU A 12 9.442 3.624 -1.086 1.00 25.33 H new ATOM 0 HD21 LEU A 12 12.339 4.629 -0.722 1.00 23.32 H new ATOM 0 HD22 LEU A 12 11.808 3.661 -2.118 1.00 23.32 H new ATOM 0 HD23 LEU A 12 12.596 5.237 -2.376 1.00 23.32 H new ATOM 200 N PRO A 13 8.943 4.716 -6.096 1.00 22.31 N ATOM 201 CA PRO A 13 8.010 4.725 -7.241 1.00 43.11 C ATOM 202 C PRO A 13 7.398 3.335 -7.517 1.00 52.20 C ATOM 203 O PRO A 13 8.120 2.335 -7.593 1.00 10.24 O ATOM 204 CB PRO A 13 8.895 5.165 -8.417 1.00 5.54 C ATOM 205 CG PRO A 13 9.985 5.962 -7.786 1.00 31.25 C ATOM 206 CD PRO A 13 10.252 5.304 -6.458 1.00 60.33 C ATOM 0 HA PRO A 13 7.156 5.378 -7.063 1.00 43.11 H new ATOM 0 HB2 PRO A 13 9.293 4.306 -8.957 1.00 5.54 H new ATOM 0 HB3 PRO A 13 8.333 5.761 -9.136 1.00 5.54 H new ATOM 0 HG2 PRO A 13 10.879 5.965 -8.409 1.00 31.25 H new ATOM 0 HG3 PRO A 13 9.685 7.002 -7.655 1.00 31.25 H new ATOM 0 HD2 PRO A 13 11.027 4.541 -6.536 1.00 60.33 H new ATOM 0 HD3 PRO A 13 10.588 6.025 -5.713 1.00 60.33 H new ATOM 214 N PRO A 14 6.058 3.246 -7.662 1.00 32.44 N ATOM 215 CA PRO A 14 5.357 1.968 -7.887 1.00 2.42 C ATOM 216 C PRO A 14 5.630 1.350 -9.276 1.00 42.11 C ATOM 217 O PRO A 14 4.724 1.223 -10.104 1.00 70.31 O ATOM 218 CB PRO A 14 3.862 2.338 -7.736 1.00 3.54 C ATOM 219 CG PRO A 14 3.853 3.704 -7.126 1.00 64.44 C ATOM 220 CD PRO A 14 5.113 4.371 -7.597 1.00 72.23 C ATOM 0 HA PRO A 14 5.696 1.206 -7.186 1.00 2.42 H new ATOM 0 HB2 PRO A 14 3.357 2.335 -8.702 1.00 3.54 H new ATOM 0 HB3 PRO A 14 3.341 1.621 -7.102 1.00 3.54 H new ATOM 0 HG2 PRO A 14 2.973 4.266 -7.439 1.00 64.44 H new ATOM 0 HG3 PRO A 14 3.824 3.646 -6.038 1.00 64.44 H new ATOM 0 HD2 PRO A 14 4.982 4.848 -8.568 1.00 72.23 H new ATOM 0 HD3 PRO A 14 5.447 5.144 -6.905 1.00 72.23 H new ATOM 228 N GLU A 15 6.878 0.958 -9.527 1.00 13.11 N ATOM 229 CA GLU A 15 7.250 0.322 -10.799 1.00 45.34 C ATOM 230 C GLU A 15 7.598 -1.168 -10.618 1.00 12.14 C ATOM 231 O GLU A 15 7.001 -2.036 -11.256 1.00 71.13 O ATOM 232 CB GLU A 15 8.424 1.074 -11.456 1.00 54.35 C ATOM 233 CG GLU A 15 9.627 1.295 -10.540 1.00 0.11 C ATOM 234 CD GLU A 15 10.824 1.892 -11.271 1.00 11.25 C ATOM 235 OE1 GLU A 15 10.687 2.993 -11.842 1.00 31.31 O ATOM 236 OE2 GLU A 15 11.896 1.248 -11.298 1.00 32.20 O ATOM 0 H GLU A 15 7.651 1.067 -8.870 1.00 13.11 H new ATOM 0 HA GLU A 15 6.382 0.377 -11.456 1.00 45.34 H new ATOM 0 HB2 GLU A 15 8.750 0.517 -12.334 1.00 54.35 H new ATOM 0 HB3 GLU A 15 8.068 2.043 -11.807 1.00 54.35 H new ATOM 0 HG2 GLU A 15 9.339 1.957 -9.723 1.00 0.11 H new ATOM 0 HG3 GLU A 15 9.917 0.344 -10.093 1.00 0.11 H new ATOM 243 N GLN A 16 8.555 -1.464 -9.737 1.00 30.42 N ATOM 244 CA GLN A 16 9.012 -2.845 -9.515 1.00 3.32 C ATOM 245 C GLN A 16 8.311 -3.488 -8.301 1.00 34.02 C ATOM 246 O GLN A 16 8.773 -4.492 -7.752 1.00 52.34 O ATOM 247 CB GLN A 16 10.537 -2.854 -9.322 1.00 13.32 C ATOM 248 CG GLN A 16 11.168 -4.244 -9.413 1.00 64.34 C ATOM 249 CD GLN A 16 12.649 -4.259 -9.075 1.00 74.24 C ATOM 250 OE1 GLN A 16 13.064 -3.407 -8.161 1.00 74.04 O flip ATOM 251 NE2 GLN A 16 13.413 -5.056 -9.611 1.00 73.05 N flip ATOM 0 H GLN A 16 9.032 -0.768 -9.163 1.00 30.42 H new ATOM 0 HA GLN A 16 8.751 -3.438 -10.391 1.00 3.32 H new ATOM 0 HB2 GLN A 16 10.992 -2.210 -10.075 1.00 13.32 H new ATOM 0 HB3 GLN A 16 10.772 -2.423 -8.349 1.00 13.32 H new ATOM 0 HG2 GLN A 16 10.642 -4.918 -8.737 1.00 64.34 H new ATOM 0 HG3 GLN A 16 11.029 -4.632 -10.422 1.00 64.34 H new ATOM 0 HE21 GLN A 16 13.062 -5.704 -10.316 1.00 73.05 H new ATOM 0 HE22 GLN A 16 14.399 -5.070 -9.351 1.00 73.05 H new ATOM 260 N TRP A 17 7.186 -2.913 -7.896 1.00 14.14 N ATOM 261 CA TRP A 17 6.408 -3.442 -6.772 1.00 71.25 C ATOM 262 C TRP A 17 5.676 -4.734 -7.163 1.00 10.44 C ATOM 263 O TRP A 17 4.759 -4.721 -7.988 1.00 14.12 O ATOM 264 CB TRP A 17 5.410 -2.383 -6.277 1.00 64.20 C ATOM 265 CG TRP A 17 6.066 -1.212 -5.594 1.00 61.15 C ATOM 266 CD1 TRP A 17 7.142 -0.495 -6.038 1.00 63.12 C ATOM 267 CD2 TRP A 17 5.681 -0.623 -4.344 1.00 32.14 C ATOM 268 NE1 TRP A 17 7.450 0.497 -5.140 1.00 71.12 N ATOM 269 CE2 TRP A 17 6.568 0.441 -4.093 1.00 33.15 C ATOM 270 CE3 TRP A 17 4.673 -0.892 -3.414 1.00 42.11 C ATOM 271 CZ2 TRP A 17 6.480 1.232 -2.951 1.00 53.02 C ATOM 272 CZ3 TRP A 17 4.585 -0.104 -2.280 1.00 34.43 C ATOM 273 CH2 TRP A 17 5.484 0.946 -2.058 1.00 41.22 C ATOM 0 H TRP A 17 6.787 -2.079 -8.327 1.00 14.14 H new ATOM 0 HA TRP A 17 7.097 -3.683 -5.963 1.00 71.25 H new ATOM 0 HB2 TRP A 17 4.828 -2.020 -7.124 1.00 64.20 H new ATOM 0 HB3 TRP A 17 4.709 -2.851 -5.586 1.00 64.20 H new ATOM 0 HD1 TRP A 17 7.672 -0.682 -6.960 1.00 63.12 H new ATOM 0 HE1 TRP A 17 8.213 1.168 -5.237 1.00 71.12 H new ATOM 0 HE3 TRP A 17 3.975 -1.700 -3.577 1.00 42.11 H new ATOM 0 HZ2 TRP A 17 7.173 2.042 -2.776 1.00 53.02 H new ATOM 0 HZ3 TRP A 17 3.810 -0.302 -1.554 1.00 34.43 H new ATOM 0 HH2 TRP A 17 5.389 1.543 -1.163 1.00 41.22 H new ATOM 284 N SER A 18 6.102 -5.849 -6.576 1.00 71.34 N ATOM 285 CA SER A 18 5.525 -7.167 -6.874 1.00 21.35 C ATOM 286 C SER A 18 4.344 -7.493 -5.951 1.00 12.22 C ATOM 287 O SER A 18 4.016 -6.723 -5.045 1.00 33.20 O ATOM 288 CB SER A 18 6.595 -8.252 -6.717 1.00 0.23 C ATOM 289 OG SER A 18 7.047 -8.336 -5.373 1.00 40.22 O ATOM 0 H SER A 18 6.851 -5.871 -5.884 1.00 71.34 H new ATOM 0 HA SER A 18 5.161 -7.140 -7.901 1.00 21.35 H new ATOM 0 HB2 SER A 18 6.189 -9.215 -7.028 1.00 0.23 H new ATOM 0 HB3 SER A 18 7.437 -8.034 -7.374 1.00 0.23 H new ATOM 0 HG SER A 18 7.728 -9.037 -5.300 1.00 40.22 H new ATOM 295 N HIS A 19 3.716 -8.654 -6.177 1.00 71.45 N ATOM 296 CA HIS A 19 2.594 -9.110 -5.340 1.00 1.11 C ATOM 297 C HIS A 19 2.966 -9.105 -3.846 1.00 62.25 C ATOM 298 O HIS A 19 2.195 -8.638 -3.002 1.00 1.24 O ATOM 299 CB HIS A 19 2.147 -10.522 -5.757 1.00 15.44 C ATOM 300 CG HIS A 19 1.544 -10.597 -7.130 1.00 52.12 C ATOM 301 ND1 HIS A 19 1.998 -11.453 -8.106 1.00 65.34 N ATOM 302 CD2 HIS A 19 0.490 -9.944 -7.674 1.00 63.12 C ATOM 303 CE1 HIS A 19 1.255 -11.322 -9.185 1.00 45.24 C ATOM 304 NE2 HIS A 19 0.329 -10.415 -8.954 1.00 4.31 N ATOM 0 H HIS A 19 3.964 -9.295 -6.931 1.00 71.45 H new ATOM 0 HA HIS A 19 1.771 -8.412 -5.491 1.00 1.11 H new ATOM 0 HB2 HIS A 19 3.007 -11.191 -5.713 1.00 15.44 H new ATOM 0 HB3 HIS A 19 1.420 -10.889 -5.033 1.00 15.44 H new ATOM 0 HD2 HIS A 19 -0.114 -9.191 -7.190 1.00 63.12 H new ATOM 0 HE1 HIS A 19 1.384 -11.868 -10.108 1.00 45.24 H new ATOM 0 HE2 HIS A 19 -0.387 -10.113 -9.614 1.00 4.31 H new ATOM 313 N THR A 20 4.156 -9.619 -3.533 1.00 44.34 N ATOM 314 CA THR A 20 4.646 -9.663 -2.149 1.00 54.40 C ATOM 315 C THR A 20 4.814 -8.250 -1.564 1.00 71.11 C ATOM 316 O THR A 20 4.400 -7.980 -0.435 1.00 13.40 O ATOM 317 CB THR A 20 6.001 -10.410 -2.047 1.00 72.10 C ATOM 318 OG1 THR A 20 5.874 -11.751 -2.550 1.00 40.31 O ATOM 319 CG2 THR A 20 6.495 -10.458 -0.605 1.00 1.22 C ATOM 0 H THR A 20 4.801 -10.012 -4.218 1.00 44.34 H new ATOM 0 HA THR A 20 3.894 -10.203 -1.574 1.00 54.40 H new ATOM 0 HB THR A 20 6.726 -9.862 -2.649 1.00 72.10 H new ATOM 0 HG1 THR A 20 6.737 -12.209 -2.481 1.00 40.31 H new ATOM 0 HG21 THR A 20 7.447 -10.988 -0.564 1.00 1.22 H new ATOM 0 HG22 THR A 20 6.628 -9.442 -0.232 1.00 1.22 H new ATOM 0 HG23 THR A 20 5.763 -10.978 0.013 1.00 1.22 H new ATOM 327 N THR A 21 5.411 -7.350 -2.341 1.00 51.21 N ATOM 328 CA THR A 21 5.626 -5.966 -1.895 1.00 24.11 C ATOM 329 C THR A 21 4.295 -5.255 -1.599 1.00 24.40 C ATOM 330 O THR A 21 4.133 -4.621 -0.555 1.00 74.40 O ATOM 331 CB THR A 21 6.420 -5.146 -2.944 1.00 61.13 C ATOM 332 OG1 THR A 21 7.668 -5.798 -3.241 1.00 24.11 O ATOM 333 CG2 THR A 21 6.690 -3.726 -2.445 1.00 1.33 C ATOM 0 H THR A 21 5.755 -7.548 -3.280 1.00 51.21 H new ATOM 0 HA THR A 21 6.209 -6.024 -0.976 1.00 24.11 H new ATOM 0 HB THR A 21 5.816 -5.085 -3.849 1.00 61.13 H new ATOM 0 HG1 THR A 21 7.510 -6.542 -3.859 1.00 24.11 H new ATOM 0 HG21 THR A 21 7.248 -3.175 -3.201 1.00 1.33 H new ATOM 0 HG22 THR A 21 5.743 -3.221 -2.253 1.00 1.33 H new ATOM 0 HG23 THR A 21 7.271 -3.768 -1.524 1.00 1.33 H new ATOM 341 N VAL A 22 3.336 -5.384 -2.515 1.00 45.34 N ATOM 342 CA VAL A 22 2.007 -4.779 -2.341 1.00 2.43 C ATOM 343 C VAL A 22 1.217 -5.464 -1.202 1.00 11.30 C ATOM 344 O VAL A 22 0.218 -4.934 -0.710 1.00 21.44 O ATOM 345 CB VAL A 22 1.199 -4.837 -3.664 1.00 35.41 C ATOM 346 CG1 VAL A 22 -0.181 -4.198 -3.510 1.00 51.40 C ATOM 347 CG2 VAL A 22 1.983 -4.160 -4.790 1.00 53.11 C ATOM 0 H VAL A 22 3.450 -5.901 -3.387 1.00 45.34 H new ATOM 0 HA VAL A 22 2.157 -3.735 -2.066 1.00 2.43 H new ATOM 0 HB VAL A 22 1.047 -5.886 -3.918 1.00 35.41 H new ATOM 0 HG11 VAL A 22 -0.717 -4.258 -4.457 1.00 51.40 H new ATOM 0 HG12 VAL A 22 -0.743 -4.727 -2.741 1.00 51.40 H new ATOM 0 HG13 VAL A 22 -0.068 -3.153 -3.222 1.00 51.40 H new ATOM 0 HG21 VAL A 22 1.406 -4.207 -5.714 1.00 53.11 H new ATOM 0 HG22 VAL A 22 2.167 -3.118 -4.529 1.00 53.11 H new ATOM 0 HG23 VAL A 22 2.935 -4.673 -4.930 1.00 53.11 H new ATOM 357 N ARG A 23 1.665 -6.652 -0.798 1.00 34.24 N ATOM 358 CA ARG A 23 1.114 -7.333 0.380 1.00 12.21 C ATOM 359 C ARG A 23 1.626 -6.673 1.673 1.00 24.15 C ATOM 360 O ARG A 23 0.844 -6.233 2.521 1.00 54.14 O ATOM 361 CB ARG A 23 1.515 -8.818 0.374 1.00 53.20 C ATOM 362 CG ARG A 23 1.031 -9.599 1.595 1.00 33.41 C ATOM 363 CD ARG A 23 1.724 -10.952 1.714 1.00 55.52 C ATOM 364 NE ARG A 23 3.166 -10.810 1.931 1.00 31.43 N ATOM 365 CZ ARG A 23 3.980 -11.807 2.164 1.00 53.31 C ATOM 366 NH1 ARG A 23 3.537 -13.022 2.225 1.00 41.40 N ATOM 367 NH2 ARG A 23 5.240 -11.576 2.342 1.00 40.53 N ATOM 0 H ARG A 23 2.410 -7.166 -1.268 1.00 34.24 H new ATOM 0 HA ARG A 23 0.028 -7.251 0.342 1.00 12.21 H new ATOM 0 HB2 ARG A 23 1.117 -9.287 -0.526 1.00 53.20 H new ATOM 0 HB3 ARG A 23 2.601 -8.890 0.317 1.00 53.20 H new ATOM 0 HG2 ARG A 23 1.217 -9.015 2.497 1.00 33.41 H new ATOM 0 HG3 ARG A 23 -0.047 -9.747 1.528 1.00 33.41 H new ATOM 0 HD2 ARG A 23 1.286 -11.513 2.540 1.00 55.52 H new ATOM 0 HD3 ARG A 23 1.549 -11.531 0.807 1.00 55.52 H new ATOM 0 HE ARG A 23 3.562 -9.870 1.898 1.00 31.43 H new ATOM 0 HH11 ARG A 23 2.543 -13.210 2.091 1.00 41.40 H new ATOM 0 HH12 ARG A 23 4.181 -13.791 2.407 1.00 41.40 H new ATOM 0 HH21 ARG A 23 5.594 -10.620 2.300 1.00 40.53 H new ATOM 0 HH22 ARG A 23 5.880 -12.349 2.524 1.00 40.53 H new ATOM 381 N ASN A 24 2.950 -6.611 1.807 1.00 34.11 N ATOM 382 CA ASN A 24 3.600 -6.027 2.988 1.00 12.23 C ATOM 383 C ASN A 24 3.259 -4.537 3.153 1.00 42.02 C ATOM 384 O ASN A 24 3.234 -4.017 4.271 1.00 45.55 O ATOM 385 CB ASN A 24 5.121 -6.198 2.889 1.00 75.43 C ATOM 386 CG ASN A 24 5.556 -7.655 2.888 1.00 4.44 C ATOM 387 OD1 ASN A 24 4.827 -8.543 2.458 1.00 70.32 O ATOM 388 ND2 ASN A 24 6.757 -7.908 3.364 1.00 40.13 N ATOM 0 H ASN A 24 3.603 -6.961 1.106 1.00 34.11 H new ATOM 0 HA ASN A 24 3.223 -6.556 3.863 1.00 12.23 H new ATOM 0 HB2 ASN A 24 5.477 -5.718 1.977 1.00 75.43 H new ATOM 0 HB3 ASN A 24 5.594 -5.684 3.726 1.00 75.43 H new ATOM 0 HD21 ASN A 24 7.107 -8.866 3.383 1.00 40.13 H new ATOM 0 HD22 ASN A 24 7.338 -7.146 3.714 1.00 40.13 H new ATOM 395 N ALA A 25 3.000 -3.859 2.037 1.00 63.23 N ATOM 396 CA ALA A 25 2.670 -2.428 2.047 1.00 44.30 C ATOM 397 C ALA A 25 1.412 -2.118 2.876 1.00 20.31 C ATOM 398 O ALA A 25 1.277 -1.027 3.423 1.00 1.31 O ATOM 399 CB ALA A 25 2.494 -1.927 0.619 1.00 4.23 C ATOM 0 H ALA A 25 3.012 -4.277 1.107 1.00 63.23 H new ATOM 0 HA ALA A 25 3.501 -1.907 2.522 1.00 44.30 H new ATOM 0 HB1 ALA A 25 2.249 -0.865 0.634 1.00 4.23 H new ATOM 0 HB2 ALA A 25 3.420 -2.079 0.064 1.00 4.23 H new ATOM 0 HB3 ALA A 25 1.687 -2.479 0.137 1.00 4.23 H new ATOM 405 N LEU A 26 0.501 -3.082 2.982 1.00 31.24 N ATOM 406 CA LEU A 26 -0.765 -2.873 3.703 1.00 22.12 C ATOM 407 C LEU A 26 -0.620 -3.076 5.224 1.00 41.41 C ATOM 408 O LEU A 26 -1.608 -3.050 5.955 1.00 53.14 O ATOM 409 CB LEU A 26 -1.853 -3.799 3.139 1.00 65.33 C ATOM 410 CG LEU A 26 -2.235 -3.543 1.671 1.00 31.52 C ATOM 411 CD1 LEU A 26 -3.335 -4.502 1.223 1.00 45.21 C ATOM 412 CD2 LEU A 26 -2.675 -2.092 1.478 1.00 61.44 C ATOM 0 H LEU A 26 0.609 -4.014 2.582 1.00 31.24 H new ATOM 0 HA LEU A 26 -1.056 -1.834 3.549 1.00 22.12 H new ATOM 0 HB2 LEU A 26 -1.515 -4.831 3.235 1.00 65.33 H new ATOM 0 HB3 LEU A 26 -2.748 -3.698 3.753 1.00 65.33 H new ATOM 0 HG LEU A 26 -1.355 -3.722 1.053 1.00 31.52 H new ATOM 0 HD11 LEU A 26 -3.589 -4.303 0.182 1.00 45.21 H new ATOM 0 HD12 LEU A 26 -2.984 -5.529 1.321 1.00 45.21 H new ATOM 0 HD13 LEU A 26 -4.218 -4.359 1.846 1.00 45.21 H new ATOM 0 HD21 LEU A 26 -2.942 -1.928 0.434 1.00 61.44 H new ATOM 0 HD22 LEU A 26 -3.539 -1.887 2.110 1.00 61.44 H new ATOM 0 HD23 LEU A 26 -1.858 -1.425 1.753 1.00 61.44 H new ATOM 424 N LYS A 27 0.612 -3.270 5.698 1.00 13.24 N ATOM 425 CA LYS A 27 0.863 -3.433 7.136 1.00 31.31 C ATOM 426 C LYS A 27 0.899 -2.082 7.880 1.00 33.35 C ATOM 427 O LYS A 27 -0.097 -1.661 8.465 1.00 21.13 O ATOM 428 CB LYS A 27 2.173 -4.206 7.374 1.00 4.23 C ATOM 429 CG LYS A 27 2.050 -5.724 7.217 1.00 53.14 C ATOM 430 CD LYS A 27 1.185 -6.338 8.321 1.00 45.42 C ATOM 431 CE LYS A 27 1.267 -7.864 8.342 1.00 12.44 C ATOM 432 NZ LYS A 27 0.666 -8.487 7.131 1.00 41.14 N ATOM 0 H LYS A 27 1.447 -3.318 5.115 1.00 13.24 H new ATOM 0 HA LYS A 27 0.030 -4.007 7.541 1.00 31.31 H new ATOM 0 HB2 LYS A 27 2.928 -3.841 6.677 1.00 4.23 H new ATOM 0 HB3 LYS A 27 2.533 -3.985 8.379 1.00 4.23 H new ATOM 0 HG2 LYS A 27 1.617 -5.956 6.244 1.00 53.14 H new ATOM 0 HG3 LYS A 27 3.043 -6.174 7.239 1.00 53.14 H new ATOM 0 HD2 LYS A 27 1.502 -5.946 9.288 1.00 45.42 H new ATOM 0 HD3 LYS A 27 0.148 -6.034 8.178 1.00 45.42 H new ATOM 0 HE2 LYS A 27 2.311 -8.167 8.422 1.00 12.44 H new ATOM 0 HE3 LYS A 27 0.758 -8.239 9.230 1.00 12.44 H new ATOM 0 HZ1 LYS A 27 0.748 -9.522 7.196 1.00 41.14 H new ATOM 0 HZ2 LYS A 27 -0.338 -8.223 7.066 1.00 41.14 H new ATOM 0 HZ3 LYS A 27 1.167 -8.153 6.283 1.00 41.14 H new ATOM 446 N ASP A 28 2.043 -1.396 7.847 1.00 2.15 N ATOM 447 CA ASP A 28 2.229 -0.179 8.648 1.00 71.24 C ATOM 448 C ASP A 28 1.579 1.074 8.034 1.00 30.33 C ATOM 449 O ASP A 28 1.330 2.052 8.739 1.00 42.02 O ATOM 450 CB ASP A 28 3.719 0.063 8.897 1.00 25.35 C ATOM 451 CG ASP A 28 4.290 -0.940 9.878 1.00 41.20 C ATOM 452 OD1 ASP A 28 3.968 -0.839 11.084 1.00 52.32 O ATOM 453 OD2 ASP A 28 5.044 -1.841 9.456 1.00 4.43 O ATOM 0 H ASP A 28 2.850 -1.657 7.280 1.00 2.15 H new ATOM 0 HA ASP A 28 1.715 -0.353 9.593 1.00 71.24 H new ATOM 0 HB2 ASP A 28 4.261 -0.001 7.954 1.00 25.35 H new ATOM 0 HB3 ASP A 28 3.865 1.073 9.281 1.00 25.35 H new ATOM 458 N LEU A 29 1.299 1.053 6.735 1.00 53.40 N ATOM 459 CA LEU A 29 0.666 2.204 6.074 1.00 63.40 C ATOM 460 C LEU A 29 -0.765 2.437 6.599 1.00 33.43 C ATOM 461 O LEU A 29 -1.173 3.573 6.840 1.00 35.43 O ATOM 462 CB LEU A 29 0.660 2.016 4.545 1.00 23.11 C ATOM 463 CG LEU A 29 2.007 2.264 3.833 1.00 40.41 C ATOM 464 CD1 LEU A 29 2.455 3.713 4.013 1.00 72.43 C ATOM 465 CD2 LEU A 29 3.087 1.307 4.334 1.00 71.23 C ATOM 0 H LEU A 29 1.495 0.264 6.119 1.00 53.40 H new ATOM 0 HA LEU A 29 1.255 3.090 6.312 1.00 63.40 H new ATOM 0 HB2 LEU A 29 0.335 0.999 4.324 1.00 23.11 H new ATOM 0 HB3 LEU A 29 -0.084 2.688 4.118 1.00 23.11 H new ATOM 0 HG LEU A 29 1.857 2.075 2.770 1.00 40.41 H new ATOM 0 HD11 LEU A 29 3.406 3.866 3.503 1.00 72.43 H new ATOM 0 HD12 LEU A 29 1.705 4.381 3.589 1.00 72.43 H new ATOM 0 HD13 LEU A 29 2.574 3.928 5.075 1.00 72.43 H new ATOM 0 HD21 LEU A 29 4.022 1.509 3.812 1.00 71.23 H new ATOM 0 HD22 LEU A 29 3.231 1.449 5.405 1.00 71.23 H new ATOM 0 HD23 LEU A 29 2.779 0.279 4.143 1.00 71.23 H new ATOM 477 N LEU A 30 -1.514 1.351 6.787 1.00 61.41 N ATOM 478 CA LEU A 30 -2.891 1.421 7.306 1.00 14.10 C ATOM 479 C LEU A 30 -2.947 0.949 8.778 1.00 3.24 C ATOM 480 O LEU A 30 -3.992 0.555 9.289 1.00 13.32 O ATOM 481 CB LEU A 30 -3.809 0.560 6.415 1.00 73.24 C ATOM 482 CG LEU A 30 -5.322 0.706 6.662 1.00 41.52 C ATOM 483 CD1 LEU A 30 -5.770 2.152 6.465 1.00 61.30 C ATOM 484 CD2 LEU A 30 -6.101 -0.230 5.742 1.00 4.42 C ATOM 0 H LEU A 30 -1.193 0.404 6.588 1.00 61.41 H new ATOM 0 HA LEU A 30 -3.235 2.455 7.282 1.00 14.10 H new ATOM 0 HB2 LEU A 30 -3.606 0.807 5.373 1.00 73.24 H new ATOM 0 HB3 LEU A 30 -3.538 -0.487 6.553 1.00 73.24 H new ATOM 0 HG LEU A 30 -5.529 0.429 7.696 1.00 41.52 H new ATOM 0 HD11 LEU A 30 -6.842 2.228 6.645 1.00 61.30 H new ATOM 0 HD12 LEU A 30 -5.238 2.796 7.165 1.00 61.30 H new ATOM 0 HD13 LEU A 30 -5.550 2.465 5.444 1.00 61.30 H new ATOM 0 HD21 LEU A 30 -7.169 -0.116 5.927 1.00 4.42 H new ATOM 0 HD22 LEU A 30 -5.885 0.018 4.703 1.00 4.42 H new ATOM 0 HD23 LEU A 30 -5.806 -1.261 5.938 1.00 4.42 H new ATOM 496 N LYS A 31 -1.807 1.045 9.461 1.00 31.51 N ATOM 497 CA LYS A 31 -1.642 0.489 10.813 1.00 61.43 C ATOM 498 C LYS A 31 -2.573 1.152 11.850 1.00 2.44 C ATOM 499 O LYS A 31 -3.227 0.466 12.639 1.00 43.42 O ATOM 500 CB LYS A 31 -0.178 0.654 11.255 1.00 21.22 C ATOM 501 CG LYS A 31 0.294 -0.369 12.285 1.00 34.12 C ATOM 502 CD LYS A 31 0.297 -1.784 11.706 1.00 50.44 C ATOM 503 CE LYS A 31 0.994 -2.780 12.625 1.00 3.33 C ATOM 504 NZ LYS A 31 2.428 -2.439 12.833 1.00 52.41 N ATOM 0 H LYS A 31 -0.973 1.507 9.099 1.00 31.51 H new ATOM 0 HA LYS A 31 -1.914 -0.565 10.767 1.00 61.43 H new ATOM 0 HB2 LYS A 31 0.463 0.587 10.376 1.00 21.22 H new ATOM 0 HB3 LYS A 31 -0.048 1.654 11.669 1.00 21.22 H new ATOM 0 HG2 LYS A 31 1.298 -0.111 12.623 1.00 34.12 H new ATOM 0 HG3 LYS A 31 -0.356 -0.334 13.159 1.00 34.12 H new ATOM 0 HD2 LYS A 31 -0.730 -2.107 11.535 1.00 50.44 H new ATOM 0 HD3 LYS A 31 0.795 -1.777 10.736 1.00 50.44 H new ATOM 0 HE2 LYS A 31 0.484 -2.803 13.588 1.00 3.33 H new ATOM 0 HE3 LYS A 31 0.917 -3.781 12.200 1.00 3.33 H new ATOM 0 HZ1 LYS A 31 2.994 -3.311 12.845 1.00 52.41 H new ATOM 0 HZ2 LYS A 31 2.755 -1.825 12.060 1.00 52.41 H new ATOM 0 HZ3 LYS A 31 2.539 -1.942 13.740 1.00 52.41 H new ATOM 518 N ASP A 32 -2.611 2.484 11.865 1.00 51.44 N ATOM 519 CA ASP A 32 -3.387 3.221 12.877 1.00 31.42 C ATOM 520 C ASP A 32 -4.710 3.789 12.331 1.00 72.44 C ATOM 521 O ASP A 32 -5.676 3.962 13.082 1.00 51.03 O ATOM 522 CB ASP A 32 -2.541 4.357 13.457 1.00 54.14 C ATOM 523 CG ASP A 32 -1.364 3.837 14.260 1.00 4.14 C ATOM 524 OD1 ASP A 32 -1.575 3.412 15.416 1.00 40.44 O ATOM 525 OD2 ASP A 32 -0.228 3.834 13.744 1.00 13.01 O ATOM 0 H ASP A 32 -2.119 3.076 11.196 1.00 51.44 H new ATOM 0 HA ASP A 32 -3.646 2.503 13.656 1.00 31.42 H new ATOM 0 HB2 ASP A 32 -2.176 4.988 12.646 1.00 54.14 H new ATOM 0 HB3 ASP A 32 -3.165 4.985 14.093 1.00 54.14 H new ATOM 530 N MET A 33 -4.758 4.082 11.037 1.00 21.42 N ATOM 531 CA MET A 33 -5.942 4.708 10.435 1.00 30.51 C ATOM 532 C MET A 33 -7.040 3.671 10.142 1.00 63.32 C ATOM 533 O MET A 33 -6.767 2.603 9.600 1.00 30.30 O ATOM 534 CB MET A 33 -5.554 5.449 9.146 1.00 51.13 C ATOM 535 CG MET A 33 -6.701 6.227 8.511 1.00 4.40 C ATOM 536 SD MET A 33 -7.414 7.454 9.633 1.00 23.41 S ATOM 537 CE MET A 33 -6.021 8.558 9.886 1.00 30.50 C ATOM 0 H MET A 33 -3.998 3.900 10.382 1.00 21.42 H new ATOM 0 HA MET A 33 -6.342 5.424 11.153 1.00 30.51 H new ATOM 0 HB2 MET A 33 -4.739 6.138 9.366 1.00 51.13 H new ATOM 0 HB3 MET A 33 -5.174 4.726 8.424 1.00 51.13 H new ATOM 0 HG2 MET A 33 -6.342 6.728 7.612 1.00 4.40 H new ATOM 0 HG3 MET A 33 -7.479 5.530 8.199 1.00 4.40 H new ATOM 0 HE1 MET A 33 -6.369 9.484 10.345 1.00 30.50 H new ATOM 0 HE2 MET A 33 -5.292 8.080 10.541 1.00 30.50 H new ATOM 0 HE3 MET A 33 -5.555 8.782 8.926 1.00 30.50 H new ATOM 547 N ASN A 34 -8.282 3.997 10.511 1.00 71.22 N ATOM 548 CA ASN A 34 -9.424 3.104 10.280 1.00 41.30 C ATOM 549 C ASN A 34 -9.558 2.713 8.794 1.00 3.31 C ATOM 550 O ASN A 34 -9.605 3.572 7.908 1.00 3.30 O ATOM 551 CB ASN A 34 -10.715 3.768 10.770 1.00 24.34 C ATOM 552 CG ASN A 34 -11.933 2.885 10.571 1.00 61.32 C ATOM 553 OD1 ASN A 34 -12.590 2.936 9.538 1.00 5.04 O ATOM 554 ND2 ASN A 34 -12.242 2.070 11.555 1.00 32.22 N ATOM 0 H ASN A 34 -8.524 4.874 10.972 1.00 71.22 H new ATOM 0 HA ASN A 34 -9.248 2.189 10.845 1.00 41.30 H new ATOM 0 HB2 ASN A 34 -10.616 4.012 11.828 1.00 24.34 H new ATOM 0 HB3 ASN A 34 -10.861 4.708 10.238 1.00 24.34 H new ATOM 0 HD21 ASN A 34 -13.051 1.454 11.472 1.00 32.22 H new ATOM 0 HD22 ASN A 34 -11.673 2.053 12.401 1.00 32.22 H new ATOM 561 N GLN A 35 -9.650 1.408 8.544 1.00 12.30 N ATOM 562 CA GLN A 35 -9.679 0.857 7.179 1.00 2.21 C ATOM 563 C GLN A 35 -10.812 1.453 6.316 1.00 3.50 C ATOM 564 O GLN A 35 -10.630 1.692 5.120 1.00 62.42 O ATOM 565 CB GLN A 35 -9.824 -0.671 7.238 1.00 13.13 C ATOM 566 CG GLN A 35 -8.780 -1.363 8.114 1.00 11.43 C ATOM 567 CD GLN A 35 -8.900 -2.882 8.108 1.00 43.14 C ATOM 568 OE1 GLN A 35 -9.310 -3.449 6.991 1.00 21.40 O flip ATOM 569 NE2 GLN A 35 -8.609 -3.549 9.095 1.00 0.24 N flip ATOM 0 H GLN A 35 -9.707 0.700 9.276 1.00 12.30 H new ATOM 0 HA GLN A 35 -8.736 1.130 6.705 1.00 2.21 H new ATOM 0 HB2 GLN A 35 -10.818 -0.917 7.613 1.00 13.13 H new ATOM 0 HB3 GLN A 35 -9.757 -1.071 6.226 1.00 13.13 H new ATOM 0 HG2 GLN A 35 -7.784 -1.083 7.771 1.00 11.43 H new ATOM 0 HG3 GLN A 35 -8.878 -1.002 9.138 1.00 11.43 H new ATOM 0 HE21 GLN A 35 -8.294 -3.087 9.948 1.00 0.24 H new ATOM 0 HE22 GLN A 35 -8.682 -4.566 9.063 1.00 0.24 H new ATOM 578 N SER A 36 -11.973 1.698 6.924 1.00 31.43 N ATOM 579 CA SER A 36 -13.145 2.205 6.183 1.00 43.15 C ATOM 580 C SER A 36 -12.868 3.576 5.541 1.00 40.02 C ATOM 581 O SER A 36 -13.396 3.889 4.472 1.00 53.12 O ATOM 582 CB SER A 36 -14.372 2.301 7.103 1.00 13.41 C ATOM 583 OG SER A 36 -15.526 2.717 6.386 1.00 65.53 O ATOM 0 H SER A 36 -12.134 1.557 7.921 1.00 31.43 H new ATOM 0 HA SER A 36 -13.350 1.492 5.384 1.00 43.15 H new ATOM 0 HB2 SER A 36 -14.559 1.332 7.565 1.00 13.41 H new ATOM 0 HB3 SER A 36 -14.170 3.005 7.910 1.00 13.41 H new ATOM 0 HG SER A 36 -16.290 2.767 6.997 1.00 65.53 H new ATOM 589 N SER A 37 -12.025 4.382 6.191 1.00 75.25 N ATOM 590 CA SER A 37 -11.659 5.710 5.666 1.00 54.20 C ATOM 591 C SER A 37 -10.890 5.587 4.343 1.00 14.22 C ATOM 592 O SER A 37 -11.181 6.285 3.369 1.00 41.45 O ATOM 593 CB SER A 37 -10.811 6.483 6.688 1.00 1.11 C ATOM 594 OG SER A 37 -10.434 7.758 6.190 1.00 62.24 O ATOM 0 H SER A 37 -11.582 4.144 7.078 1.00 75.25 H new ATOM 0 HA SER A 37 -12.583 6.259 5.483 1.00 54.20 H new ATOM 0 HB2 SER A 37 -11.375 6.604 7.613 1.00 1.11 H new ATOM 0 HB3 SER A 37 -9.918 5.907 6.932 1.00 1.11 H new ATOM 0 HG SER A 37 -9.897 8.226 6.863 1.00 62.24 H new ATOM 600 N LEU A 38 -9.916 4.682 4.310 1.00 73.05 N ATOM 601 CA LEU A 38 -9.131 4.427 3.095 1.00 64.05 C ATOM 602 C LEU A 38 -10.016 3.862 1.971 1.00 75.34 C ATOM 603 O LEU A 38 -9.816 4.168 0.792 1.00 71.51 O ATOM 604 CB LEU A 38 -7.983 3.452 3.401 1.00 0.42 C ATOM 605 CG LEU A 38 -7.045 3.140 2.220 1.00 3.32 C ATOM 606 CD1 LEU A 38 -6.360 4.408 1.717 1.00 43.21 C ATOM 607 CD2 LEU A 38 -6.016 2.084 2.613 1.00 34.34 C ATOM 0 H LEU A 38 -9.647 4.109 5.110 1.00 73.05 H new ATOM 0 HA LEU A 38 -8.715 5.376 2.756 1.00 64.05 H new ATOM 0 HB2 LEU A 38 -7.388 3.864 4.216 1.00 0.42 H new ATOM 0 HB3 LEU A 38 -8.411 2.516 3.760 1.00 0.42 H new ATOM 0 HG LEU A 38 -7.648 2.740 1.405 1.00 3.32 H new ATOM 0 HD11 LEU A 38 -5.703 4.160 0.883 1.00 43.21 H new ATOM 0 HD12 LEU A 38 -7.114 5.122 1.385 1.00 43.21 H new ATOM 0 HD13 LEU A 38 -5.773 4.848 2.523 1.00 43.21 H new ATOM 0 HD21 LEU A 38 -5.363 1.878 1.764 1.00 34.34 H new ATOM 0 HD22 LEU A 38 -5.420 2.450 3.449 1.00 34.34 H new ATOM 0 HD23 LEU A 38 -6.529 1.168 2.907 1.00 34.34 H new ATOM 619 N ALA A 39 -11.008 3.055 2.351 1.00 31.45 N ATOM 620 CA ALA A 39 -11.937 2.444 1.389 1.00 60.51 C ATOM 621 C ALA A 39 -12.765 3.494 0.619 1.00 73.25 C ATOM 622 O ALA A 39 -13.433 3.170 -0.365 1.00 11.31 O ATOM 623 CB ALA A 39 -12.855 1.461 2.107 1.00 12.44 C ATOM 0 H ALA A 39 -11.192 2.806 3.323 1.00 31.45 H new ATOM 0 HA ALA A 39 -11.339 1.911 0.650 1.00 60.51 H new ATOM 0 HB1 ALA A 39 -13.541 1.012 1.388 1.00 12.44 H new ATOM 0 HB2 ALA A 39 -12.256 0.679 2.575 1.00 12.44 H new ATOM 0 HB3 ALA A 39 -13.425 1.988 2.872 1.00 12.44 H new ATOM 629 N LYS A 40 -12.739 4.747 1.082 1.00 71.14 N ATOM 630 CA LYS A 40 -13.384 5.853 0.357 1.00 65.25 C ATOM 631 C LYS A 40 -12.534 6.271 -0.849 1.00 73.45 C ATOM 632 O LYS A 40 -13.049 6.522 -1.936 1.00 74.34 O ATOM 633 CB LYS A 40 -13.583 7.071 1.272 1.00 35.12 C ATOM 634 CG LYS A 40 -14.390 6.794 2.537 1.00 42.21 C ATOM 635 CD LYS A 40 -14.593 8.066 3.361 1.00 63.31 C ATOM 636 CE LYS A 40 -13.263 8.716 3.740 1.00 34.40 C ATOM 637 NZ LYS A 40 -13.454 10.014 4.437 1.00 21.42 N ATOM 0 H LYS A 40 -12.282 5.023 1.951 1.00 71.14 H new ATOM 0 HA LYS A 40 -14.357 5.499 0.017 1.00 65.25 H new ATOM 0 HB2 LYS A 40 -12.605 7.456 1.559 1.00 35.12 H new ATOM 0 HB3 LYS A 40 -14.081 7.857 0.704 1.00 35.12 H new ATOM 0 HG2 LYS A 40 -15.360 6.375 2.267 1.00 42.21 H new ATOM 0 HG3 LYS A 40 -13.877 6.046 3.141 1.00 42.21 H new ATOM 0 HD2 LYS A 40 -15.195 8.775 2.792 1.00 63.31 H new ATOM 0 HD3 LYS A 40 -15.152 7.827 4.266 1.00 63.31 H new ATOM 0 HE2 LYS A 40 -12.699 8.039 4.383 1.00 34.40 H new ATOM 0 HE3 LYS A 40 -12.667 8.872 2.841 1.00 34.40 H new ATOM 0 HZ1 LYS A 40 -12.527 10.420 4.676 1.00 21.42 H new ATOM 0 HZ2 LYS A 40 -13.969 10.669 3.815 1.00 21.42 H new ATOM 0 HZ3 LYS A 40 -14.000 9.863 5.309 1.00 21.42 H new ATOM 651 N GLU A 41 -11.220 6.338 -0.640 1.00 13.33 N ATOM 652 CA GLU A 41 -10.289 6.790 -1.677 1.00 14.41 C ATOM 653 C GLU A 41 -9.910 5.650 -2.630 1.00 20.22 C ATOM 654 O GLU A 41 -10.144 5.730 -3.838 1.00 54.24 O ATOM 655 CB GLU A 41 -9.023 7.380 -1.037 1.00 22.15 C ATOM 656 CG GLU A 41 -9.298 8.524 -0.065 1.00 25.12 C ATOM 657 CD GLU A 41 -10.174 9.607 -0.677 1.00 44.14 C ATOM 658 OE1 GLU A 41 -9.768 10.198 -1.702 1.00 31.00 O ATOM 659 OE2 GLU A 41 -11.278 9.853 -0.153 1.00 71.51 O ATOM 0 H GLU A 41 -10.773 6.084 0.241 1.00 13.33 H new ATOM 0 HA GLU A 41 -10.793 7.562 -2.258 1.00 14.41 H new ATOM 0 HB2 GLU A 41 -8.491 6.588 -0.510 1.00 22.15 H new ATOM 0 HB3 GLU A 41 -8.361 7.738 -1.826 1.00 22.15 H new ATOM 0 HG2 GLU A 41 -9.783 8.130 0.828 1.00 25.12 H new ATOM 0 HG3 GLU A 41 -8.352 8.962 0.253 1.00 25.12 H new ATOM 666 N CYS A 42 -9.329 4.588 -2.083 1.00 53.25 N ATOM 667 CA CYS A 42 -8.922 3.432 -2.890 1.00 43.34 C ATOM 668 C CYS A 42 -10.120 2.512 -3.175 1.00 33.33 C ATOM 669 O CYS A 42 -10.868 2.160 -2.263 1.00 12.01 O ATOM 670 CB CYS A 42 -7.825 2.636 -2.176 1.00 65.55 C ATOM 671 SG CYS A 42 -8.358 1.870 -0.627 1.00 43.12 S ATOM 0 H CYS A 42 -9.127 4.499 -1.087 1.00 53.25 H new ATOM 0 HA CYS A 42 -8.534 3.808 -3.836 1.00 43.34 H new ATOM 0 HB2 CYS A 42 -7.460 1.858 -2.847 1.00 65.55 H new ATOM 0 HB3 CYS A 42 -6.985 3.299 -1.971 1.00 65.55 H new ATOM 0 HG CYS A 42 -9.175 2.669 -0.006 1.00 43.12 H new ATOM 677 N PRO A 43 -10.311 2.089 -4.443 1.00 15.42 N ATOM 678 CA PRO A 43 -11.433 1.208 -4.828 1.00 45.11 C ATOM 679 C PRO A 43 -11.218 -0.263 -4.409 1.00 74.22 C ATOM 680 O PRO A 43 -11.663 -1.188 -5.093 1.00 52.34 O ATOM 681 CB PRO A 43 -11.452 1.340 -6.357 1.00 12.32 C ATOM 682 CG PRO A 43 -10.029 1.597 -6.722 1.00 33.22 C ATOM 683 CD PRO A 43 -9.460 2.435 -5.603 1.00 53.03 C ATOM 0 HA PRO A 43 -12.365 1.492 -4.340 1.00 45.11 H new ATOM 0 HB2 PRO A 43 -11.826 0.432 -6.830 1.00 12.32 H new ATOM 0 HB3 PRO A 43 -12.099 2.157 -6.678 1.00 12.32 H new ATOM 0 HG2 PRO A 43 -9.478 0.662 -6.829 1.00 33.22 H new ATOM 0 HG3 PRO A 43 -9.959 2.120 -7.676 1.00 33.22 H new ATOM 0 HD2 PRO A 43 -8.413 2.198 -5.417 1.00 53.03 H new ATOM 0 HD3 PRO A 43 -9.510 3.499 -5.834 1.00 53.03 H new ATOM 691 N LEU A 44 -10.562 -0.470 -3.269 1.00 62.23 N ATOM 692 CA LEU A 44 -10.229 -1.816 -2.792 1.00 53.03 C ATOM 693 C LEU A 44 -11.226 -2.285 -1.718 1.00 32.41 C ATOM 694 O LEU A 44 -11.397 -1.635 -0.687 1.00 73.42 O ATOM 695 CB LEU A 44 -8.799 -1.830 -2.233 1.00 13.04 C ATOM 696 CG LEU A 44 -7.708 -1.332 -3.200 1.00 60.23 C ATOM 697 CD1 LEU A 44 -6.328 -1.413 -2.549 1.00 72.33 C ATOM 698 CD2 LEU A 44 -7.738 -2.119 -4.511 1.00 64.21 C ATOM 0 H LEU A 44 -10.248 0.280 -2.653 1.00 62.23 H new ATOM 0 HA LEU A 44 -10.293 -2.506 -3.633 1.00 53.03 H new ATOM 0 HB2 LEU A 44 -8.772 -1.215 -1.334 1.00 13.04 H new ATOM 0 HB3 LEU A 44 -8.555 -2.848 -1.930 1.00 13.04 H new ATOM 0 HG LEU A 44 -7.914 -0.287 -3.431 1.00 60.23 H new ATOM 0 HD11 LEU A 44 -5.573 -1.056 -3.250 1.00 72.33 H new ATOM 0 HD12 LEU A 44 -6.312 -0.794 -1.652 1.00 72.33 H new ATOM 0 HD13 LEU A 44 -6.113 -2.447 -2.280 1.00 72.33 H new ATOM 0 HD21 LEU A 44 -6.958 -1.748 -5.176 1.00 64.21 H new ATOM 0 HD22 LEU A 44 -7.567 -3.176 -4.305 1.00 64.21 H new ATOM 0 HD23 LEU A 44 -8.710 -1.995 -4.988 1.00 64.21 H new ATOM 710 N SER A 45 -11.883 -3.415 -1.972 1.00 21.31 N ATOM 711 CA SER A 45 -12.854 -3.988 -1.026 1.00 13.51 C ATOM 712 C SER A 45 -12.194 -4.336 0.320 1.00 24.52 C ATOM 713 O SER A 45 -11.327 -5.213 0.388 1.00 20.20 O ATOM 714 CB SER A 45 -13.494 -5.246 -1.635 1.00 32.34 C ATOM 715 OG SER A 45 -14.064 -4.966 -2.907 1.00 33.23 O ATOM 0 H SER A 45 -11.764 -3.958 -2.827 1.00 21.31 H new ATOM 0 HA SER A 45 -13.623 -3.239 -0.838 1.00 13.51 H new ATOM 0 HB2 SER A 45 -12.742 -6.029 -1.734 1.00 32.34 H new ATOM 0 HB3 SER A 45 -14.264 -5.627 -0.964 1.00 32.34 H new ATOM 0 HG SER A 45 -14.463 -5.783 -3.274 1.00 33.23 H new ATOM 721 N GLN A 46 -12.622 -3.661 1.392 1.00 61.45 N ATOM 722 CA GLN A 46 -12.024 -3.850 2.725 1.00 73.23 C ATOM 723 C GLN A 46 -12.093 -5.318 3.177 1.00 10.23 C ATOM 724 O GLN A 46 -11.233 -5.786 3.931 1.00 45.32 O ATOM 725 CB GLN A 46 -12.706 -2.929 3.755 1.00 11.12 C ATOM 726 CG GLN A 46 -12.056 -2.936 5.143 1.00 64.50 C ATOM 727 CD GLN A 46 -12.843 -3.725 6.181 1.00 55.20 C ATOM 728 OE1 GLN A 46 -13.687 -3.180 6.879 1.00 44.22 O ATOM 729 NE2 GLN A 46 -12.571 -5.010 6.294 1.00 13.15 N ATOM 0 H GLN A 46 -13.380 -2.979 1.366 1.00 61.45 H new ATOM 0 HA GLN A 46 -10.970 -3.580 2.657 1.00 73.23 H new ATOM 0 HB2 GLN A 46 -12.701 -1.909 3.371 1.00 11.12 H new ATOM 0 HB3 GLN A 46 -13.750 -3.227 3.855 1.00 11.12 H new ATOM 0 HG2 GLN A 46 -11.053 -3.356 5.063 1.00 64.50 H new ATOM 0 HG3 GLN A 46 -11.945 -1.908 5.488 1.00 64.50 H new ATOM 0 HE21 GLN A 46 -11.862 -5.436 5.697 1.00 13.15 H new ATOM 0 HE22 GLN A 46 -13.070 -5.579 6.978 1.00 13.15 H new ATOM 738 N SER A 47 -13.110 -6.039 2.707 1.00 71.00 N ATOM 739 CA SER A 47 -13.235 -7.481 2.975 1.00 41.21 C ATOM 740 C SER A 47 -11.968 -8.236 2.552 1.00 41.14 C ATOM 741 O SER A 47 -11.517 -9.156 3.237 1.00 11.52 O ATOM 742 CB SER A 47 -14.447 -8.061 2.234 1.00 12.12 C ATOM 743 OG SER A 47 -15.630 -7.345 2.549 1.00 34.54 O ATOM 0 H SER A 47 -13.863 -5.653 2.138 1.00 71.00 H new ATOM 0 HA SER A 47 -13.373 -7.606 4.049 1.00 41.21 H new ATOM 0 HB2 SER A 47 -14.271 -8.024 1.159 1.00 12.12 H new ATOM 0 HB3 SER A 47 -14.572 -9.111 2.501 1.00 12.12 H new ATOM 0 HG SER A 47 -16.387 -7.734 2.063 1.00 34.54 H new ATOM 749 N MET A 48 -11.393 -7.836 1.422 1.00 73.24 N ATOM 750 CA MET A 48 -10.142 -8.427 0.939 1.00 52.02 C ATOM 751 C MET A 48 -8.935 -7.817 1.668 1.00 54.22 C ATOM 752 O MET A 48 -7.995 -8.525 2.027 1.00 52.44 O ATOM 753 CB MET A 48 -9.995 -8.216 -0.572 1.00 43.53 C ATOM 754 CG MET A 48 -11.080 -8.889 -1.405 1.00 53.13 C ATOM 755 SD MET A 48 -10.864 -8.614 -3.174 1.00 21.44 S ATOM 756 CE MET A 48 -12.266 -9.516 -3.834 1.00 33.42 C ATOM 0 H MET A 48 -11.771 -7.104 0.820 1.00 73.24 H new ATOM 0 HA MET A 48 -10.174 -9.497 1.146 1.00 52.02 H new ATOM 0 HB2 MET A 48 -10.003 -7.146 -0.781 1.00 43.53 H new ATOM 0 HB3 MET A 48 -9.023 -8.595 -0.888 1.00 43.53 H new ATOM 0 HG2 MET A 48 -11.075 -9.960 -1.204 1.00 53.13 H new ATOM 0 HG3 MET A 48 -12.055 -8.511 -1.098 1.00 53.13 H new ATOM 0 HE1 MET A 48 -12.269 -9.439 -4.921 1.00 33.42 H new ATOM 0 HE2 MET A 48 -12.193 -10.564 -3.545 1.00 33.42 H new ATOM 0 HE3 MET A 48 -13.189 -9.094 -3.438 1.00 33.42 H new ATOM 766 N ILE A 49 -8.974 -6.500 1.887 1.00 43.34 N ATOM 767 CA ILE A 49 -7.896 -5.799 2.601 1.00 24.22 C ATOM 768 C ILE A 49 -7.602 -6.462 3.958 1.00 24.03 C ATOM 769 O ILE A 49 -6.445 -6.670 4.315 1.00 43.00 O ATOM 770 CB ILE A 49 -8.242 -4.302 2.821 1.00 13.51 C ATOM 771 CG1 ILE A 49 -8.452 -3.591 1.468 1.00 32.14 C ATOM 772 CG2 ILE A 49 -7.149 -3.603 3.634 1.00 12.22 C ATOM 773 CD1 ILE A 49 -8.797 -2.121 1.595 1.00 34.54 C ATOM 0 H ILE A 49 -9.737 -5.896 1.582 1.00 43.34 H new ATOM 0 HA ILE A 49 -7.006 -5.865 1.975 1.00 24.22 H new ATOM 0 HB ILE A 49 -9.172 -4.247 3.387 1.00 13.51 H new ATOM 0 HG12 ILE A 49 -7.545 -3.691 0.871 1.00 32.14 H new ATOM 0 HG13 ILE A 49 -9.250 -4.096 0.923 1.00 32.14 H new ATOM 0 HG21 ILE A 49 -7.414 -2.555 3.775 1.00 12.22 H new ATOM 0 HG22 ILE A 49 -7.053 -4.087 4.606 1.00 12.22 H new ATOM 0 HG23 ILE A 49 -6.201 -3.669 3.101 1.00 12.22 H new ATOM 0 HD11 ILE A 49 -8.929 -1.691 0.602 1.00 34.54 H new ATOM 0 HD12 ILE A 49 -9.720 -2.012 2.164 1.00 34.54 H new ATOM 0 HD13 ILE A 49 -7.990 -1.601 2.111 1.00 34.54 H new ATOM 785 N SER A 50 -8.654 -6.810 4.698 1.00 44.24 N ATOM 786 CA SER A 50 -8.499 -7.473 6.004 1.00 62.32 C ATOM 787 C SER A 50 -7.718 -8.793 5.884 1.00 72.20 C ATOM 788 O SER A 50 -6.815 -9.069 6.677 1.00 3.41 O ATOM 789 CB SER A 50 -9.869 -7.740 6.639 1.00 50.44 C ATOM 790 OG SER A 50 -9.737 -8.375 7.900 1.00 24.14 O ATOM 0 H SER A 50 -9.622 -6.647 4.422 1.00 44.24 H new ATOM 0 HA SER A 50 -7.929 -6.798 6.643 1.00 62.32 H new ATOM 0 HB2 SER A 50 -10.407 -6.799 6.758 1.00 50.44 H new ATOM 0 HB3 SER A 50 -10.464 -8.366 5.975 1.00 50.44 H new ATOM 0 HG SER A 50 -10.626 -8.532 8.282 1.00 24.14 H new ATOM 796 N SER A 51 -8.067 -9.595 4.877 1.00 43.14 N ATOM 797 CA SER A 51 -7.395 -10.880 4.629 1.00 64.54 C ATOM 798 C SER A 51 -5.905 -10.683 4.296 1.00 63.35 C ATOM 799 O SER A 51 -5.062 -11.507 4.656 1.00 42.04 O ATOM 800 CB SER A 51 -8.088 -11.629 3.479 1.00 71.24 C ATOM 801 OG SER A 51 -7.468 -12.880 3.219 1.00 50.42 O ATOM 0 H SER A 51 -8.813 -9.380 4.216 1.00 43.14 H new ATOM 0 HA SER A 51 -7.464 -11.470 5.543 1.00 64.54 H new ATOM 0 HB2 SER A 51 -9.137 -11.787 3.728 1.00 71.24 H new ATOM 0 HB3 SER A 51 -8.063 -11.016 2.578 1.00 71.24 H new ATOM 0 HG SER A 51 -7.398 -13.390 4.053 1.00 50.42 H new ATOM 807 N ILE A 52 -5.587 -9.577 3.621 1.00 52.15 N ATOM 808 CA ILE A 52 -4.199 -9.263 3.245 1.00 4.34 C ATOM 809 C ILE A 52 -3.401 -8.708 4.437 1.00 24.30 C ATOM 810 O ILE A 52 -2.281 -9.151 4.710 1.00 21.10 O ATOM 811 CB ILE A 52 -4.142 -8.231 2.089 1.00 35.32 C ATOM 812 CG1 ILE A 52 -5.035 -8.676 0.919 1.00 2.03 C ATOM 813 CG2 ILE A 52 -2.698 -8.036 1.622 1.00 40.40 C ATOM 814 CD1 ILE A 52 -5.116 -7.666 -0.207 1.00 4.24 C ATOM 0 H ILE A 52 -6.269 -8.881 3.321 1.00 52.15 H new ATOM 0 HA ILE A 52 -3.752 -10.201 2.916 1.00 4.34 H new ATOM 0 HB ILE A 52 -4.518 -7.277 2.459 1.00 35.32 H new ATOM 0 HG12 ILE A 52 -4.656 -9.618 0.523 1.00 2.03 H new ATOM 0 HG13 ILE A 52 -6.040 -8.869 1.294 1.00 2.03 H new ATOM 0 HG21 ILE A 52 -2.673 -7.309 0.810 1.00 40.40 H new ATOM 0 HG22 ILE A 52 -2.093 -7.673 2.453 1.00 40.40 H new ATOM 0 HG23 ILE A 52 -2.298 -8.987 1.270 1.00 40.40 H new ATOM 0 HD11 ILE A 52 -5.763 -8.051 -0.995 1.00 4.24 H new ATOM 0 HD12 ILE A 52 -5.524 -6.729 0.173 1.00 4.24 H new ATOM 0 HD13 ILE A 52 -4.119 -7.490 -0.610 1.00 4.24 H new ATOM 826 N VAL A 53 -3.978 -7.731 5.140 1.00 73.20 N ATOM 827 CA VAL A 53 -3.322 -7.110 6.296 1.00 30.02 C ATOM 828 C VAL A 53 -3.060 -8.141 7.405 1.00 62.52 C ATOM 829 O VAL A 53 -1.925 -8.310 7.852 1.00 72.34 O ATOM 830 CB VAL A 53 -4.162 -5.940 6.872 1.00 42.45 C ATOM 831 CG1 VAL A 53 -3.478 -5.323 8.093 1.00 71.11 C ATOM 832 CG2 VAL A 53 -4.414 -4.878 5.803 1.00 60.04 C ATOM 0 H VAL A 53 -4.901 -7.351 4.929 1.00 73.20 H new ATOM 0 HA VAL A 53 -2.370 -6.715 5.941 1.00 30.02 H new ATOM 0 HB VAL A 53 -5.124 -6.342 7.190 1.00 42.45 H new ATOM 0 HG11 VAL A 53 -4.088 -4.505 8.477 1.00 71.11 H new ATOM 0 HG12 VAL A 53 -3.360 -6.082 8.866 1.00 71.11 H new ATOM 0 HG13 VAL A 53 -2.498 -4.941 7.807 1.00 71.11 H new ATOM 0 HG21 VAL A 53 -5.005 -4.067 6.228 1.00 60.04 H new ATOM 0 HG22 VAL A 53 -3.461 -4.486 5.448 1.00 60.04 H new ATOM 0 HG23 VAL A 53 -4.956 -5.323 4.969 1.00 60.04 H new ATOM 842 N ASN A 54 -4.111 -8.840 7.832 1.00 3.13 N ATOM 843 CA ASN A 54 -3.980 -9.884 8.854 1.00 1.53 C ATOM 844 C ASN A 54 -3.260 -11.122 8.285 1.00 44.04 C ATOM 845 O ASN A 54 -2.688 -11.918 9.031 1.00 10.42 O ATOM 846 CB ASN A 54 -5.362 -10.273 9.393 1.00 71.55 C ATOM 847 CG ASN A 54 -5.277 -11.152 10.629 1.00 54.13 C ATOM 848 OD1 ASN A 54 -4.345 -11.042 11.421 1.00 0.42 O ATOM 849 ND2 ASN A 54 -6.250 -12.020 10.815 1.00 33.20 N ATOM 0 H ASN A 54 -5.062 -8.705 7.488 1.00 3.13 H new ATOM 0 HA ASN A 54 -3.380 -9.488 9.673 1.00 1.53 H new ATOM 0 HB2 ASN A 54 -5.923 -9.369 9.631 1.00 71.55 H new ATOM 0 HB3 ASN A 54 -5.917 -10.797 8.615 1.00 71.55 H new ATOM 0 HD21 ASN A 54 -6.243 -12.625 11.636 1.00 33.20 H new ATOM 0 HD22 ASN A 54 -7.010 -12.087 10.138 1.00 33.20 H new ATOM 856 N SER A 55 -3.299 -11.265 6.956 1.00 54.51 N ATOM 857 CA SER A 55 -2.637 -12.377 6.255 1.00 43.13 C ATOM 858 C SER A 55 -3.218 -13.734 6.675 1.00 72.32 C ATOM 859 O SER A 55 -2.610 -14.475 7.451 1.00 14.34 O ATOM 860 CB SER A 55 -1.114 -12.347 6.486 1.00 34.25 C ATOM 861 OG SER A 55 -0.544 -11.118 6.048 1.00 45.44 O ATOM 0 H SER A 55 -3.787 -10.618 6.336 1.00 54.51 H new ATOM 0 HA SER A 55 -2.827 -12.248 5.189 1.00 43.13 H new ATOM 0 HB2 SER A 55 -0.903 -12.490 7.546 1.00 34.25 H new ATOM 0 HB3 SER A 55 -0.648 -13.176 5.953 1.00 34.25 H new ATOM 0 HG SER A 55 -1.239 -10.563 5.637 1.00 45.44 H new ATOM 867 N THR A 56 -4.415 -14.045 6.172 1.00 12.45 N ATOM 868 CA THR A 56 -5.098 -15.302 6.515 1.00 54.32 C ATOM 869 C THR A 56 -5.025 -16.330 5.372 1.00 25.44 C ATOM 870 O THR A 56 -4.210 -17.255 5.412 1.00 52.20 O ATOM 871 CB THR A 56 -6.583 -15.062 6.896 1.00 35.42 C ATOM 872 OG1 THR A 56 -7.276 -14.421 5.812 1.00 11.41 O ATOM 873 CG2 THR A 56 -6.696 -14.204 8.154 1.00 51.44 C ATOM 0 H THR A 56 -4.933 -13.448 5.527 1.00 12.45 H new ATOM 0 HA THR A 56 -4.571 -15.706 7.379 1.00 54.32 H new ATOM 0 HB THR A 56 -7.039 -16.032 7.096 1.00 35.42 H new ATOM 0 HG1 THR A 56 -8.212 -14.276 6.063 1.00 11.41 H new ATOM 0 HG21 THR A 56 -7.748 -14.052 8.397 1.00 51.44 H new ATOM 0 HG22 THR A 56 -6.201 -14.708 8.984 1.00 51.44 H new ATOM 0 HG23 THR A 56 -6.221 -13.239 7.980 1.00 51.44 H new ATOM 881 N TYR A 57 -5.867 -16.167 4.347 1.00 62.13 N ATOM 882 CA TYR A 57 -5.907 -17.122 3.228 1.00 33.01 C ATOM 883 C TYR A 57 -6.219 -16.435 1.885 1.00 21.45 C ATOM 884 O TYR A 57 -6.802 -17.045 0.984 1.00 65.34 O ATOM 885 CB TYR A 57 -6.931 -18.239 3.519 1.00 35.34 C ATOM 886 CG TYR A 57 -8.386 -17.784 3.553 1.00 42.53 C ATOM 887 CD1 TYR A 57 -8.871 -16.985 4.587 1.00 73.53 C ATOM 888 CD2 TYR A 57 -9.277 -18.161 2.550 1.00 51.44 C ATOM 889 CE1 TYR A 57 -10.194 -16.579 4.619 1.00 11.33 C ATOM 890 CE2 TYR A 57 -10.598 -17.760 2.577 1.00 51.12 C ATOM 891 CZ TYR A 57 -11.053 -16.971 3.611 1.00 62.21 C ATOM 892 OH TYR A 57 -12.373 -16.581 3.637 1.00 71.52 O ATOM 0 H TYR A 57 -6.525 -15.392 4.266 1.00 62.13 H new ATOM 0 HA TYR A 57 -4.914 -17.561 3.137 1.00 33.01 H new ATOM 0 HB2 TYR A 57 -6.826 -19.015 2.760 1.00 35.34 H new ATOM 0 HB3 TYR A 57 -6.686 -18.696 4.478 1.00 35.34 H new ATOM 0 HD1 TYR A 57 -8.203 -16.677 5.377 1.00 73.53 H new ATOM 0 HD2 TYR A 57 -8.928 -18.779 1.736 1.00 51.44 H new ATOM 0 HE1 TYR A 57 -10.552 -15.959 5.428 1.00 11.33 H new ATOM 0 HE2 TYR A 57 -11.273 -18.064 1.790 1.00 51.12 H new ATOM 0 HH TYR A 57 -12.836 -16.943 2.853 1.00 71.52 H new ATOM 902 N TYR A 58 -5.803 -15.174 1.750 1.00 15.30 N ATOM 903 CA TYR A 58 -5.998 -14.409 0.507 1.00 72.23 C ATOM 904 C TYR A 58 -5.435 -15.164 -0.712 1.00 63.21 C ATOM 905 O TYR A 58 -6.137 -15.368 -1.708 1.00 4.03 O ATOM 906 CB TYR A 58 -5.335 -13.027 0.641 1.00 21.43 C ATOM 907 CG TYR A 58 -5.511 -12.117 -0.566 1.00 11.24 C ATOM 908 CD1 TYR A 58 -6.775 -11.813 -1.064 1.00 14.54 C ATOM 909 CD2 TYR A 58 -4.407 -11.550 -1.197 1.00 44.21 C ATOM 910 CE1 TYR A 58 -6.931 -10.976 -2.155 1.00 61.45 C ATOM 911 CE2 TYR A 58 -4.557 -10.711 -2.283 1.00 35.10 C ATOM 912 CZ TYR A 58 -5.818 -10.426 -2.759 1.00 50.31 C ATOM 913 OH TYR A 58 -5.965 -9.585 -3.846 1.00 4.15 O ATOM 0 H TYR A 58 -5.326 -14.655 2.487 1.00 15.30 H new ATOM 0 HA TYR A 58 -7.068 -14.281 0.346 1.00 72.23 H new ATOM 0 HB2 TYR A 58 -5.744 -12.527 1.519 1.00 21.43 H new ATOM 0 HB3 TYR A 58 -4.269 -13.167 0.821 1.00 21.43 H new ATOM 0 HD1 TYR A 58 -7.648 -12.237 -0.591 1.00 14.54 H new ATOM 0 HD2 TYR A 58 -3.415 -11.771 -0.830 1.00 44.21 H new ATOM 0 HE1 TYR A 58 -7.918 -10.754 -2.532 1.00 61.45 H new ATOM 0 HE2 TYR A 58 -3.688 -10.279 -2.758 1.00 35.10 H new ATOM 0 HH TYR A 58 -5.083 -9.285 -4.149 1.00 4.15 H new ATOM 923 N ALA A 59 -4.169 -15.573 -0.617 1.00 65.50 N ATOM 924 CA ALA A 59 -3.514 -16.406 -1.639 1.00 3.30 C ATOM 925 C ALA A 59 -3.378 -15.693 -2.996 1.00 43.11 C ATOM 926 O ALA A 59 -2.298 -15.209 -3.346 1.00 12.41 O ATOM 927 CB ALA A 59 -4.251 -17.734 -1.804 1.00 1.43 C ATOM 0 H ALA A 59 -3.564 -15.338 0.170 1.00 65.50 H new ATOM 0 HA ALA A 59 -2.502 -16.599 -1.282 1.00 3.30 H new ATOM 0 HB1 ALA A 59 -3.752 -18.335 -2.564 1.00 1.43 H new ATOM 0 HB2 ALA A 59 -4.248 -18.272 -0.856 1.00 1.43 H new ATOM 0 HB3 ALA A 59 -5.280 -17.544 -2.110 1.00 1.43 H new ATOM 933 N ASN A 60 -4.472 -15.634 -3.757 1.00 44.41 N ATOM 934 CA ASN A 60 -4.455 -15.047 -5.101 1.00 1.32 C ATOM 935 C ASN A 60 -4.366 -13.517 -5.037 1.00 54.12 C ATOM 936 O ASN A 60 -5.369 -12.832 -4.828 1.00 31.40 O ATOM 937 CB ASN A 60 -5.708 -15.474 -5.883 1.00 41.11 C ATOM 938 CG ASN A 60 -5.709 -14.964 -7.315 1.00 71.04 C ATOM 939 OD1 ASN A 60 -4.662 -14.787 -7.926 1.00 21.34 O ATOM 940 ND2 ASN A 60 -6.883 -14.726 -7.862 1.00 42.34 N ATOM 0 H ASN A 60 -5.384 -15.986 -3.466 1.00 44.41 H new ATOM 0 HA ASN A 60 -3.569 -15.415 -5.619 1.00 1.32 H new ATOM 0 HB2 ASN A 60 -5.774 -16.562 -5.889 1.00 41.11 H new ATOM 0 HB3 ASN A 60 -6.595 -15.104 -5.369 1.00 41.11 H new ATOM 0 HD21 ASN A 60 -6.939 -14.384 -8.821 1.00 42.34 H new ATOM 0 HD22 ASN A 60 -7.737 -14.884 -7.326 1.00 42.34 H new ATOM 947 N VAL A 61 -3.157 -12.986 -5.198 1.00 22.21 N ATOM 948 CA VAL A 61 -2.948 -11.539 -5.186 1.00 54.14 C ATOM 949 C VAL A 61 -3.202 -10.940 -6.576 1.00 51.32 C ATOM 950 O VAL A 61 -2.323 -10.942 -7.439 1.00 44.03 O ATOM 951 CB VAL A 61 -1.520 -11.163 -4.706 1.00 22.02 C ATOM 952 CG1 VAL A 61 -1.372 -9.644 -4.576 1.00 24.31 C ATOM 953 CG2 VAL A 61 -1.194 -11.856 -3.383 1.00 71.22 C ATOM 0 H VAL A 61 -2.308 -13.534 -5.338 1.00 22.21 H new ATOM 0 HA VAL A 61 -3.664 -11.121 -4.478 1.00 54.14 H new ATOM 0 HB VAL A 61 -0.808 -11.509 -5.455 1.00 22.02 H new ATOM 0 HG11 VAL A 61 -0.364 -9.404 -4.238 1.00 24.31 H new ATOM 0 HG12 VAL A 61 -1.551 -9.177 -5.544 1.00 24.31 H new ATOM 0 HG13 VAL A 61 -2.096 -9.269 -3.853 1.00 24.31 H new ATOM 0 HG21 VAL A 61 -0.189 -11.579 -3.065 1.00 71.22 H new ATOM 0 HG22 VAL A 61 -1.913 -11.548 -2.624 1.00 71.22 H new ATOM 0 HG23 VAL A 61 -1.247 -12.937 -3.515 1.00 71.22 H new ATOM 963 N SER A 62 -4.420 -10.446 -6.782 1.00 2.10 N ATOM 964 CA SER A 62 -4.826 -9.857 -8.069 1.00 5.15 C ATOM 965 C SER A 62 -3.842 -8.787 -8.560 1.00 24.22 C ATOM 966 O SER A 62 -3.521 -7.841 -7.834 1.00 11.31 O ATOM 967 CB SER A 62 -6.225 -9.232 -7.954 1.00 54.33 C ATOM 968 OG SER A 62 -6.542 -8.458 -9.103 1.00 50.33 O ATOM 0 H SER A 62 -5.153 -10.439 -6.072 1.00 2.10 H new ATOM 0 HA SER A 62 -4.834 -10.670 -8.795 1.00 5.15 H new ATOM 0 HB2 SER A 62 -6.968 -10.019 -7.827 1.00 54.33 H new ATOM 0 HB3 SER A 62 -6.272 -8.603 -7.065 1.00 54.33 H new ATOM 0 HG SER A 62 -7.510 -8.475 -9.252 1.00 50.33 H new ATOM 974 N ALA A 63 -3.372 -8.939 -9.800 1.00 11.21 N ATOM 975 CA ALA A 63 -2.525 -7.927 -10.438 1.00 11.00 C ATOM 976 C ALA A 63 -3.278 -6.599 -10.588 1.00 34.22 C ATOM 977 O ALA A 63 -2.673 -5.527 -10.629 1.00 13.23 O ATOM 978 CB ALA A 63 -2.038 -8.422 -11.795 1.00 33.11 C ATOM 0 H ALA A 63 -3.563 -9.754 -10.383 1.00 11.21 H new ATOM 0 HA ALA A 63 -1.659 -7.754 -9.799 1.00 11.00 H new ATOM 0 HB1 ALA A 63 -1.410 -7.660 -12.257 1.00 33.11 H new ATOM 0 HB2 ALA A 63 -1.460 -9.337 -11.663 1.00 33.11 H new ATOM 0 HB3 ALA A 63 -2.895 -8.624 -12.438 1.00 33.11 H new ATOM 984 N ALA A 64 -4.605 -6.680 -10.662 1.00 11.53 N ATOM 985 CA ALA A 64 -5.453 -5.487 -10.699 1.00 74.22 C ATOM 986 C ALA A 64 -5.378 -4.739 -9.362 1.00 24.15 C ATOM 987 O ALA A 64 -5.041 -3.556 -9.316 1.00 40.00 O ATOM 988 CB ALA A 64 -6.893 -5.873 -11.019 1.00 74.11 C ATOM 0 H ALA A 64 -5.119 -7.561 -10.698 1.00 11.53 H new ATOM 0 HA ALA A 64 -5.091 -4.824 -11.485 1.00 74.22 H new ATOM 0 HB1 ALA A 64 -7.513 -4.977 -11.043 1.00 74.11 H new ATOM 0 HB2 ALA A 64 -6.930 -6.367 -11.990 1.00 74.11 H new ATOM 0 HB3 ALA A 64 -7.267 -6.552 -10.252 1.00 74.11 H new ATOM 994 N LYS A 65 -5.667 -5.453 -8.274 1.00 31.44 N ATOM 995 CA LYS A 65 -5.561 -4.898 -6.915 1.00 54.32 C ATOM 996 C LYS A 65 -4.132 -4.375 -6.663 1.00 62.31 C ATOM 997 O LYS A 65 -3.930 -3.354 -6.002 1.00 45.34 O ATOM 998 CB LYS A 65 -5.938 -5.990 -5.886 1.00 32.23 C ATOM 999 CG LYS A 65 -6.193 -5.493 -4.454 1.00 43.41 C ATOM 1000 CD LYS A 65 -4.908 -5.190 -3.677 1.00 23.34 C ATOM 1001 CE LYS A 65 -4.029 -6.427 -3.508 1.00 61.22 C ATOM 1002 NZ LYS A 65 -2.796 -6.128 -2.727 1.00 21.30 N ATOM 0 H LYS A 65 -5.979 -6.424 -8.303 1.00 31.44 H new ATOM 0 HA LYS A 65 -6.249 -4.060 -6.808 1.00 54.32 H new ATOM 0 HB2 LYS A 65 -6.833 -6.503 -6.238 1.00 32.23 H new ATOM 0 HB3 LYS A 65 -5.138 -6.729 -5.858 1.00 32.23 H new ATOM 0 HG2 LYS A 65 -6.806 -4.592 -4.494 1.00 43.41 H new ATOM 0 HG3 LYS A 65 -6.767 -6.245 -3.913 1.00 43.41 H new ATOM 0 HD2 LYS A 65 -4.345 -4.415 -4.198 1.00 23.34 H new ATOM 0 HD3 LYS A 65 -5.165 -4.792 -2.695 1.00 23.34 H new ATOM 0 HE2 LYS A 65 -4.597 -7.210 -3.005 1.00 61.22 H new ATOM 0 HE3 LYS A 65 -3.753 -6.813 -4.489 1.00 61.22 H new ATOM 0 HZ1 LYS A 65 -1.968 -6.169 -3.356 1.00 21.30 H new ATOM 0 HZ2 LYS A 65 -2.869 -5.177 -2.313 1.00 21.30 H new ATOM 0 HZ3 LYS A 65 -2.688 -6.829 -1.966 1.00 21.30 H new ATOM 1016 N CYS A 66 -3.147 -5.092 -7.204 1.00 45.53 N ATOM 1017 CA CYS A 66 -1.730 -4.724 -7.060 1.00 14.10 C ATOM 1018 C CYS A 66 -1.404 -3.402 -7.777 1.00 24.25 C ATOM 1019 O CYS A 66 -0.768 -2.514 -7.209 1.00 74.41 O ATOM 1020 CB CYS A 66 -0.845 -5.848 -7.617 1.00 31.22 C ATOM 1021 SG CYS A 66 0.931 -5.556 -7.461 1.00 5.20 S ATOM 0 H CYS A 66 -3.302 -5.939 -7.751 1.00 45.53 H new ATOM 0 HA CYS A 66 -1.530 -4.583 -5.998 1.00 14.10 H new ATOM 0 HB2 CYS A 66 -1.094 -6.776 -7.103 1.00 31.22 H new ATOM 0 HB3 CYS A 66 -1.085 -5.993 -8.670 1.00 31.22 H new ATOM 0 HG CYS A 66 1.582 -6.565 -7.959 1.00 5.20 H new ATOM 1027 N GLN A 67 -1.854 -3.274 -9.026 1.00 43.42 N ATOM 1028 CA GLN A 67 -1.560 -2.087 -9.842 1.00 32.42 C ATOM 1029 C GLN A 67 -2.375 -0.857 -9.412 1.00 74.41 C ATOM 1030 O GLN A 67 -1.831 0.244 -9.324 1.00 23.03 O ATOM 1031 CB GLN A 67 -1.809 -2.388 -11.327 1.00 73.24 C ATOM 1032 CG GLN A 67 -0.814 -3.376 -11.924 1.00 33.44 C ATOM 1033 CD GLN A 67 -1.156 -3.751 -13.352 1.00 5.30 C ATOM 1034 OE1 GLN A 67 -0.716 -3.111 -14.302 1.00 2.13 O ATOM 1035 NE2 GLN A 67 -1.946 -4.789 -13.515 1.00 2.00 N ATOM 0 H GLN A 67 -2.424 -3.976 -9.498 1.00 43.42 H new ATOM 0 HA GLN A 67 -0.508 -1.848 -9.686 1.00 32.42 H new ATOM 0 HB2 GLN A 67 -2.817 -2.785 -11.445 1.00 73.24 H new ATOM 0 HB3 GLN A 67 -1.765 -1.456 -11.890 1.00 73.24 H new ATOM 0 HG2 GLN A 67 0.186 -2.943 -11.895 1.00 33.44 H new ATOM 0 HG3 GLN A 67 -0.789 -4.277 -11.311 1.00 33.44 H new ATOM 0 HE21 GLN A 67 -2.293 -5.298 -12.702 1.00 2.00 H new ATOM 0 HE22 GLN A 67 -2.212 -5.085 -14.454 1.00 2.00 H new ATOM 1044 N GLU A 68 -3.674 -1.039 -9.156 1.00 22.05 N ATOM 1045 CA GLU A 68 -4.542 0.079 -8.750 1.00 55.25 C ATOM 1046 C GLU A 68 -4.092 0.687 -7.411 1.00 53.52 C ATOM 1047 O GLU A 68 -4.181 1.902 -7.211 1.00 3.14 O ATOM 1048 CB GLU A 68 -6.015 -0.353 -8.674 1.00 75.54 C ATOM 1049 CG GLU A 68 -6.576 -0.841 -10.006 1.00 13.22 C ATOM 1050 CD GLU A 68 -8.098 -0.894 -10.034 1.00 20.24 C ATOM 1051 OE1 GLU A 68 -8.684 -1.756 -9.355 1.00 52.42 O ATOM 1052 OE2 GLU A 68 -8.713 -0.077 -10.754 1.00 1.02 O ATOM 0 H GLU A 68 -4.148 -1.940 -9.221 1.00 22.05 H new ATOM 0 HA GLU A 68 -4.451 0.847 -9.518 1.00 55.25 H new ATOM 0 HB2 GLU A 68 -6.115 -1.147 -7.934 1.00 75.54 H new ATOM 0 HB3 GLU A 68 -6.614 0.487 -8.323 1.00 75.54 H new ATOM 0 HG2 GLU A 68 -6.227 -0.183 -10.802 1.00 13.22 H new ATOM 0 HG3 GLU A 68 -6.181 -1.835 -10.217 1.00 13.22 H new ATOM 1059 N PHE A 69 -3.606 -0.158 -6.500 1.00 71.21 N ATOM 1060 CA PHE A 69 -2.994 0.326 -5.257 1.00 34.23 C ATOM 1061 C PHE A 69 -1.782 1.217 -5.567 1.00 54.32 C ATOM 1062 O PHE A 69 -1.640 2.313 -5.021 1.00 24.53 O ATOM 1063 CB PHE A 69 -2.574 -0.853 -4.367 1.00 70.13 C ATOM 1064 CG PHE A 69 -1.873 -0.434 -3.099 1.00 54.31 C ATOM 1065 CD1 PHE A 69 -2.591 0.097 -2.036 1.00 10.23 C ATOM 1066 CD2 PHE A 69 -0.497 -0.563 -2.972 1.00 51.12 C ATOM 1067 CE1 PHE A 69 -1.951 0.490 -0.875 1.00 10.23 C ATOM 1068 CE2 PHE A 69 0.146 -0.173 -1.815 1.00 20.12 C ATOM 1069 CZ PHE A 69 -0.580 0.354 -0.765 1.00 43.51 C ATOM 0 H PHE A 69 -3.623 -1.173 -6.596 1.00 71.21 H new ATOM 0 HA PHE A 69 -3.734 0.919 -4.719 1.00 34.23 H new ATOM 0 HB2 PHE A 69 -3.459 -1.435 -4.108 1.00 70.13 H new ATOM 0 HB3 PHE A 69 -1.916 -1.510 -4.936 1.00 70.13 H new ATOM 0 HD1 PHE A 69 -3.663 0.204 -2.117 1.00 10.23 H new ATOM 0 HD2 PHE A 69 0.078 -0.974 -3.789 1.00 51.12 H new ATOM 0 HE1 PHE A 69 -2.521 0.902 -0.056 1.00 10.23 H new ATOM 0 HE2 PHE A 69 1.217 -0.280 -1.731 1.00 20.12 H new ATOM 0 HZ PHE A 69 -0.077 0.659 0.141 1.00 43.51 H new ATOM 1079 N GLY A 70 -0.915 0.738 -6.460 1.00 53.14 N ATOM 1080 CA GLY A 70 0.227 1.531 -6.900 1.00 10.53 C ATOM 1081 C GLY A 70 -0.186 2.800 -7.646 1.00 4.34 C ATOM 1082 O GLY A 70 0.497 3.822 -7.574 1.00 13.42 O ATOM 0 H GLY A 70 -0.982 -0.186 -6.887 1.00 53.14 H new ATOM 0 HA2 GLY A 70 0.830 1.804 -6.034 1.00 10.53 H new ATOM 0 HA3 GLY A 70 0.858 0.923 -7.548 1.00 10.53 H new ATOM 1086 N ARG A 71 -1.309 2.731 -8.360 1.00 44.53 N ATOM 1087 CA ARG A 71 -1.866 3.890 -9.069 1.00 32.40 C ATOM 1088 C ARG A 71 -2.244 5.009 -8.082 1.00 21.42 C ATOM 1089 O ARG A 71 -1.817 6.159 -8.231 1.00 34.43 O ATOM 1090 CB ARG A 71 -3.092 3.455 -9.888 1.00 14.04 C ATOM 1091 CG ARG A 71 -3.820 4.599 -10.589 1.00 75.25 C ATOM 1092 CD ARG A 71 -5.028 4.101 -11.379 1.00 53.32 C ATOM 1093 NE ARG A 71 -5.805 5.200 -11.950 1.00 23.31 N ATOM 1094 CZ ARG A 71 -6.858 5.044 -12.713 1.00 2.31 C ATOM 1095 NH1 ARG A 71 -7.277 3.861 -13.040 1.00 40.43 N ATOM 1096 NH2 ARG A 71 -7.496 6.080 -13.144 1.00 51.21 N ATOM 0 H ARG A 71 -1.858 1.878 -8.465 1.00 44.53 H new ATOM 0 HA ARG A 71 -1.107 4.285 -9.745 1.00 32.40 H new ATOM 0 HB2 ARG A 71 -2.775 2.729 -10.637 1.00 14.04 H new ATOM 0 HB3 ARG A 71 -3.793 2.945 -9.227 1.00 14.04 H new ATOM 0 HG2 ARG A 71 -4.146 5.330 -9.849 1.00 75.25 H new ATOM 0 HG3 ARG A 71 -3.131 5.111 -11.261 1.00 75.25 H new ATOM 0 HD2 ARG A 71 -4.690 3.443 -12.179 1.00 53.32 H new ATOM 0 HD3 ARG A 71 -5.667 3.507 -10.726 1.00 53.32 H new ATOM 0 HE ARG A 71 -5.507 6.153 -11.740 1.00 23.31 H new ATOM 0 HH11 ARG A 71 -6.785 3.034 -12.702 1.00 40.43 H new ATOM 0 HH12 ARG A 71 -8.099 3.758 -13.635 1.00 40.43 H new ATOM 0 HH21 ARG A 71 -7.180 7.016 -12.890 1.00 51.21 H new ATOM 0 HH22 ARG A 71 -8.317 5.963 -13.738 1.00 51.21 H new ATOM 1110 N TRP A 72 -3.036 4.661 -7.067 1.00 71.22 N ATOM 1111 CA TRP A 72 -3.424 5.624 -6.029 1.00 22.40 C ATOM 1112 C TRP A 72 -2.196 6.101 -5.238 1.00 74.42 C ATOM 1113 O TRP A 72 -2.022 7.296 -5.000 1.00 51.02 O ATOM 1114 CB TRP A 72 -4.459 5.004 -5.076 1.00 25.02 C ATOM 1115 CG TRP A 72 -4.971 5.971 -4.043 1.00 73.10 C ATOM 1116 CD1 TRP A 72 -5.968 6.893 -4.206 1.00 13.32 C ATOM 1117 CD2 TRP A 72 -4.513 6.115 -2.691 1.00 61.43 C ATOM 1118 NE1 TRP A 72 -6.150 7.603 -3.044 1.00 22.21 N ATOM 1119 CE2 TRP A 72 -5.273 7.140 -2.098 1.00 72.25 C ATOM 1120 CE3 TRP A 72 -3.535 5.473 -1.922 1.00 63.42 C ATOM 1121 CZ2 TRP A 72 -5.082 7.542 -0.779 1.00 23.32 C ATOM 1122 CZ3 TRP A 72 -3.348 5.872 -0.613 1.00 20.30 C ATOM 1123 CH2 TRP A 72 -4.119 6.898 -0.052 1.00 31.21 C ATOM 0 H TRP A 72 -3.421 3.725 -6.939 1.00 71.22 H new ATOM 0 HA TRP A 72 -3.873 6.486 -6.521 1.00 22.40 H new ATOM 0 HB2 TRP A 72 -5.299 4.627 -5.659 1.00 25.02 H new ATOM 0 HB3 TRP A 72 -4.011 4.148 -4.572 1.00 25.02 H new ATOM 0 HD1 TRP A 72 -6.530 7.041 -5.116 1.00 13.32 H new ATOM 0 HE1 TRP A 72 -6.828 8.353 -2.907 1.00 22.21 H new ATOM 0 HE3 TRP A 72 -2.937 4.679 -2.345 1.00 63.42 H new ATOM 0 HZ2 TRP A 72 -5.673 8.335 -0.345 1.00 23.32 H new ATOM 0 HZ3 TRP A 72 -2.595 5.385 -0.012 1.00 20.30 H new ATOM 0 HH2 TRP A 72 -3.950 7.186 0.975 1.00 31.21 H new ATOM 1134 N TYR A 73 -1.342 5.155 -4.846 1.00 13.23 N ATOM 1135 CA TYR A 73 -0.104 5.465 -4.115 1.00 43.23 C ATOM 1136 C TYR A 73 0.810 6.405 -4.925 1.00 30.11 C ATOM 1137 O TYR A 73 1.503 7.256 -4.363 1.00 61.33 O ATOM 1138 CB TYR A 73 0.632 4.162 -3.772 1.00 13.04 C ATOM 1139 CG TYR A 73 1.891 4.350 -2.942 1.00 51.33 C ATOM 1140 CD1 TYR A 73 1.824 4.866 -1.651 1.00 64.13 C ATOM 1141 CD2 TYR A 73 3.143 4.014 -3.449 1.00 14.40 C ATOM 1142 CE1 TYR A 73 2.966 5.036 -0.891 1.00 72.01 C ATOM 1143 CE2 TYR A 73 4.286 4.181 -2.692 1.00 75.34 C ATOM 1144 CZ TYR A 73 4.193 4.691 -1.416 1.00 62.23 C ATOM 1145 OH TYR A 73 5.335 4.865 -0.663 1.00 43.50 O ATOM 0 H TYR A 73 -1.483 4.160 -5.022 1.00 13.23 H new ATOM 0 HA TYR A 73 -0.370 5.983 -3.194 1.00 43.23 H new ATOM 0 HB2 TYR A 73 -0.050 3.506 -3.231 1.00 13.04 H new ATOM 0 HB3 TYR A 73 0.896 3.653 -4.699 1.00 13.04 H new ATOM 0 HD1 TYR A 73 0.864 5.138 -1.237 1.00 64.13 H new ATOM 0 HD2 TYR A 73 3.222 3.616 -4.450 1.00 14.40 H new ATOM 0 HE1 TYR A 73 2.897 5.437 0.109 1.00 72.01 H new ATOM 0 HE2 TYR A 73 5.250 3.913 -3.099 1.00 75.34 H new ATOM 0 HH TYR A 73 6.115 4.572 -1.179 1.00 43.50 H new ATOM 1155 N LYS A 74 0.798 6.245 -6.248 1.00 72.01 N ATOM 1156 CA LYS A 74 1.543 7.127 -7.152 1.00 23.31 C ATOM 1157 C LYS A 74 1.022 8.570 -7.060 1.00 72.11 C ATOM 1158 O LYS A 74 1.796 9.517 -6.907 1.00 32.32 O ATOM 1159 CB LYS A 74 1.432 6.608 -8.594 1.00 63.23 C ATOM 1160 CG LYS A 74 2.107 7.491 -9.639 1.00 71.11 C ATOM 1161 CD LYS A 74 1.981 6.903 -11.043 1.00 24.03 C ATOM 1162 CE LYS A 74 0.525 6.707 -11.449 1.00 75.34 C ATOM 1163 NZ LYS A 74 0.400 6.128 -12.811 1.00 43.42 N ATOM 0 H LYS A 74 0.277 5.507 -6.722 1.00 72.01 H new ATOM 0 HA LYS A 74 2.591 7.127 -6.853 1.00 23.31 H new ATOM 0 HB2 LYS A 74 1.870 5.611 -8.642 1.00 63.23 H new ATOM 0 HB3 LYS A 74 0.377 6.506 -8.850 1.00 63.23 H new ATOM 0 HG2 LYS A 74 1.660 8.485 -9.619 1.00 71.11 H new ATOM 0 HG3 LYS A 74 3.161 7.611 -9.388 1.00 71.11 H new ATOM 0 HD2 LYS A 74 2.472 7.563 -11.758 1.00 24.03 H new ATOM 0 HD3 LYS A 74 2.501 5.946 -11.084 1.00 24.03 H new ATOM 0 HE2 LYS A 74 0.033 6.052 -10.730 1.00 75.34 H new ATOM 0 HE3 LYS A 74 0.007 7.665 -11.413 1.00 75.34 H new ATOM 0 HZ1 LYS A 74 -0.606 6.011 -13.048 1.00 43.42 H new ATOM 0 HZ2 LYS A 74 0.846 6.765 -13.501 1.00 43.42 H new ATOM 0 HZ3 LYS A 74 0.872 5.202 -12.839 1.00 43.42 H new ATOM 1177 N HIS A 75 -0.300 8.729 -7.148 1.00 24.10 N ATOM 1178 CA HIS A 75 -0.931 10.046 -6.993 1.00 14.44 C ATOM 1179 C HIS A 75 -0.741 10.582 -5.565 1.00 73.45 C ATOM 1180 O HIS A 75 -0.608 11.791 -5.351 1.00 5.13 O ATOM 1181 CB HIS A 75 -2.428 9.958 -7.326 1.00 23.52 C ATOM 1182 CG HIS A 75 -3.147 11.277 -7.267 1.00 32.41 C ATOM 1183 ND1 HIS A 75 -3.945 11.659 -6.210 1.00 50.22 N ATOM 1184 CD2 HIS A 75 -3.193 12.301 -8.153 1.00 5.35 C ATOM 1185 CE1 HIS A 75 -4.448 12.853 -6.448 1.00 73.24 C ATOM 1186 NE2 HIS A 75 -4.010 13.266 -7.617 1.00 24.23 N ATOM 0 H HIS A 75 -0.954 7.967 -7.325 1.00 24.10 H new ATOM 0 HA HIS A 75 -0.450 10.737 -7.685 1.00 14.44 H new ATOM 0 HB2 HIS A 75 -2.543 9.538 -8.325 1.00 23.52 H new ATOM 0 HB3 HIS A 75 -2.904 9.265 -6.632 1.00 23.52 H new ATOM 0 HD2 HIS A 75 -2.682 12.349 -9.103 1.00 5.35 H new ATOM 0 HE1 HIS A 75 -5.109 13.401 -5.793 1.00 73.24 H new ATOM 0 HE2 HIS A 75 -4.240 14.158 -8.055 1.00 24.23 H new ATOM 1195 N PHE A 76 -0.729 9.665 -4.596 1.00 61.23 N ATOM 1196 CA PHE A 76 -0.545 10.007 -3.181 1.00 74.53 C ATOM 1197 C PHE A 76 0.850 10.595 -2.920 1.00 72.24 C ATOM 1198 O PHE A 76 0.989 11.579 -2.197 1.00 2.23 O ATOM 1199 CB PHE A 76 -0.774 8.765 -2.305 1.00 23.12 C ATOM 1200 CG PHE A 76 -0.617 9.023 -0.827 1.00 32.23 C ATOM 1201 CD1 PHE A 76 -1.602 9.696 -0.114 1.00 41.53 C ATOM 1202 CD2 PHE A 76 0.517 8.591 -0.146 1.00 53.13 C ATOM 1203 CE1 PHE A 76 -1.460 9.931 1.241 1.00 3.25 C ATOM 1204 CE2 PHE A 76 0.660 8.826 1.208 1.00 55.30 C ATOM 1205 CZ PHE A 76 -0.328 9.497 1.901 1.00 52.45 C ATOM 0 H PHE A 76 -0.846 8.666 -4.767 1.00 61.23 H new ATOM 0 HA PHE A 76 -1.279 10.770 -2.921 1.00 74.53 H new ATOM 0 HB2 PHE A 76 -1.776 8.380 -2.492 1.00 23.12 H new ATOM 0 HB3 PHE A 76 -0.072 7.987 -2.605 1.00 23.12 H new ATOM 0 HD1 PHE A 76 -2.489 10.040 -0.625 1.00 41.53 H new ATOM 0 HD2 PHE A 76 1.294 8.066 -0.682 1.00 53.13 H new ATOM 0 HE1 PHE A 76 -2.234 10.454 1.783 1.00 3.25 H new ATOM 0 HE2 PHE A 76 1.545 8.485 1.725 1.00 55.30 H new ATOM 0 HZ PHE A 76 -0.215 9.682 2.959 1.00 52.45 H new ATOM 1215 N LYS A 77 1.886 9.988 -3.498 1.00 51.14 N ATOM 1216 CA LYS A 77 3.247 10.524 -3.368 1.00 75.22 C ATOM 1217 C LYS A 77 3.442 11.786 -4.218 1.00 23.10 C ATOM 1218 O LYS A 77 4.191 12.688 -3.838 1.00 33.54 O ATOM 1219 CB LYS A 77 4.310 9.475 -3.738 1.00 23.52 C ATOM 1220 CG LYS A 77 4.549 8.429 -2.652 1.00 24.40 C ATOM 1221 CD LYS A 77 5.870 7.683 -2.853 1.00 33.42 C ATOM 1222 CE LYS A 77 7.071 8.633 -2.856 1.00 12.00 C ATOM 1223 NZ LYS A 77 7.158 9.446 -1.612 1.00 33.40 N ATOM 0 H LYS A 77 1.815 9.136 -4.054 1.00 51.14 H new ATOM 0 HA LYS A 77 3.376 10.790 -2.319 1.00 75.22 H new ATOM 0 HB2 LYS A 77 4.005 8.970 -4.655 1.00 23.52 H new ATOM 0 HB3 LYS A 77 5.250 9.984 -3.952 1.00 23.52 H new ATOM 0 HG2 LYS A 77 4.552 8.914 -1.676 1.00 24.40 H new ATOM 0 HG3 LYS A 77 3.726 7.714 -2.650 1.00 24.40 H new ATOM 0 HD2 LYS A 77 5.994 6.945 -2.061 1.00 33.42 H new ATOM 0 HD3 LYS A 77 5.838 7.136 -3.795 1.00 33.42 H new ATOM 0 HE2 LYS A 77 7.987 8.055 -2.973 1.00 12.00 H new ATOM 0 HE3 LYS A 77 7.002 9.298 -3.717 1.00 12.00 H new ATOM 0 HZ1 LYS A 77 8.056 9.971 -1.602 1.00 33.40 H new ATOM 0 HZ2 LYS A 77 6.364 10.117 -1.580 1.00 33.40 H new ATOM 0 HZ3 LYS A 77 7.115 8.819 -0.784 1.00 33.40 H new ATOM 1237 N LYS A 78 2.780 11.841 -5.370 1.00 73.22 N ATOM 1238 CA LYS A 78 2.833 13.029 -6.229 1.00 73.24 C ATOM 1239 C LYS A 78 2.212 14.241 -5.513 1.00 12.55 C ATOM 1240 O LYS A 78 2.688 15.370 -5.643 1.00 3.51 O ATOM 1241 CB LYS A 78 2.115 12.746 -7.566 1.00 41.21 C ATOM 1242 CG LYS A 78 2.343 13.805 -8.651 1.00 63.45 C ATOM 1243 CD LYS A 78 1.386 14.994 -8.537 1.00 31.00 C ATOM 1244 CE LYS A 78 1.827 16.155 -9.424 1.00 13.32 C ATOM 1245 NZ LYS A 78 2.047 15.736 -10.836 1.00 0.12 N ATOM 0 H LYS A 78 2.202 11.083 -5.733 1.00 73.22 H new ATOM 0 HA LYS A 78 3.875 13.266 -6.442 1.00 73.24 H new ATOM 0 HB2 LYS A 78 2.448 11.780 -7.945 1.00 41.21 H new ATOM 0 HB3 LYS A 78 1.045 12.663 -7.378 1.00 41.21 H new ATOM 0 HG2 LYS A 78 3.370 14.165 -8.589 1.00 63.45 H new ATOM 0 HG3 LYS A 78 2.225 13.344 -9.632 1.00 63.45 H new ATOM 0 HD2 LYS A 78 0.381 14.681 -8.819 1.00 31.00 H new ATOM 0 HD3 LYS A 78 1.338 15.325 -7.500 1.00 31.00 H new ATOM 0 HE2 LYS A 78 1.071 16.940 -9.394 1.00 13.32 H new ATOM 0 HE3 LYS A 78 2.747 16.583 -9.027 1.00 13.32 H new ATOM 0 HZ1 LYS A 78 2.178 16.578 -11.432 1.00 0.12 H new ATOM 0 HZ2 LYS A 78 2.895 15.136 -10.892 1.00 0.12 H new ATOM 0 HZ3 LYS A 78 1.221 15.200 -11.172 1.00 0.12 H new