USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1128 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 37 THR OG1 : rot -78:sc= 1.06 USER MOD Set 1.2: A 38 HIS : no HD1:sc= -0.248 X(o=0.81,f=1.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0413 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -70:sc= 1.84 USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 1.1 (180deg=1.08) USER MOD Single : A 45 ASN : amide:sc= -0.497 K(o=-0.5,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0602) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0395 (180deg=-0.297) USER MOD Single : A 50 SER OG : rot -69:sc= 0.473 USER MOD Single : A 55 GLN : amide:sc= -0.64 K(o=-0.64,f=-8.8!) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.483 F(o=-2.3!,f=-0.48) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 1.2 (180deg=0.527) USER MOD Single : A 67 SER OG : rot 120:sc= 0.489 USER MOD Single : A 69 SER OG : rot 120:sc= -1.04 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 150:sc= -0.691 USER MOD Single : A 91 HIS : no HE2:sc= 0.915 K(o=0.91,f=-2.9!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 44:sc= 0.454 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 37:sc= 0.243 USER MOD Single : A 113 GLN : amide:sc= -0.013 K(o=-0.013,f=-0.79) USER MOD Single : A 117 LYS NZ :NH3+ 164:sc= -1.33! (180deg=-2.65) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -106:sc= -0.192 (180deg=-2.84!) USER MOD Single : A 129 GLN : amide:sc= 0.0521 X(o=0.052,f=-0.017) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.39) USER MOD Single : A 135 GLN : amide:sc= -2.45 K(o=-2.5,f=-6.2!) USER MOD Single : A 139 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 141 SER OG : rot 30:sc= 1.12 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -4.849 17.325 -2.692 1.00 11.04 N ATOM 137 CA VAL A 9 -5.933 16.375 -2.406 1.00 52.33 C ATOM 138 C VAL A 9 -5.931 15.977 -0.919 1.00 34.14 C ATOM 139 O VAL A 9 -6.966 15.629 -0.345 1.00 22.05 O ATOM 140 CB VAL A 9 -5.820 15.102 -3.290 1.00 15.11 C ATOM 141 CG1 VAL A 9 -4.541 14.323 -2.976 1.00 24.13 C ATOM 142 CG2 VAL A 9 -7.054 14.212 -3.133 1.00 54.33 C ATOM 0 HA VAL A 9 -6.873 16.874 -2.641 1.00 52.33 H new ATOM 0 HB VAL A 9 -5.768 15.424 -4.330 1.00 15.11 H new ATOM 0 HG11 VAL A 9 -4.489 13.438 -3.610 1.00 24.13 H new ATOM 0 HG12 VAL A 9 -3.674 14.956 -3.165 1.00 24.13 H new ATOM 0 HG13 VAL A 9 -4.547 14.020 -1.929 1.00 24.13 H new ATOM 0 HG21 VAL A 9 -6.948 13.329 -3.763 1.00 54.33 H new ATOM 0 HG22 VAL A 9 -7.151 13.906 -2.092 1.00 54.33 H new ATOM 0 HG23 VAL A 9 -7.943 14.767 -3.433 1.00 54.33 H new ATOM 152 N SER A 10 -4.754 16.047 -0.300 1.00 53.02 N ATOM 153 CA SER A 10 -4.593 15.720 1.123 1.00 61.33 C ATOM 154 C SER A 10 -3.656 16.728 1.802 1.00 22.21 C ATOM 155 O SER A 10 -2.827 17.359 1.142 1.00 12.21 O ATOM 156 CB SER A 10 -4.037 14.297 1.283 1.00 1.02 C ATOM 157 OG SER A 10 -4.898 13.336 0.687 1.00 64.25 O ATOM 0 H SER A 10 -3.890 16.329 -0.762 1.00 53.02 H new ATOM 0 HA SER A 10 -5.571 15.773 1.601 1.00 61.33 H new ATOM 0 HB2 SER A 10 -3.049 14.237 0.826 1.00 1.02 H new ATOM 0 HB3 SER A 10 -3.913 14.070 2.342 1.00 1.02 H new ATOM 0 HG SER A 10 -4.518 12.440 0.803 1.00 64.25 H new ATOM 163 N GLU A 11 -3.781 16.878 3.117 1.00 40.34 N ATOM 164 CA GLU A 11 -2.975 17.852 3.859 1.00 23.12 C ATOM 165 C GLU A 11 -2.738 17.403 5.306 1.00 40.54 C ATOM 166 O GLU A 11 -3.559 16.707 5.901 1.00 50.44 O ATOM 167 CB GLU A 11 -3.647 19.232 3.832 1.00 71.24 C ATOM 168 CG GLU A 11 -5.046 19.256 4.440 1.00 62.32 C ATOM 169 CD GLU A 11 -5.655 20.647 4.443 1.00 40.32 C ATOM 170 OE1 GLU A 11 -5.319 21.445 5.344 1.00 73.33 O ATOM 171 OE2 GLU A 11 -6.467 20.956 3.545 1.00 53.41 O ATOM 0 H GLU A 11 -4.430 16.341 3.693 1.00 40.34 H new ATOM 0 HA GLU A 11 -2.004 17.920 3.369 1.00 23.12 H new ATOM 0 HB2 GLU A 11 -3.017 19.941 4.369 1.00 71.24 H new ATOM 0 HB3 GLU A 11 -3.705 19.576 2.799 1.00 71.24 H new ATOM 0 HG2 GLU A 11 -5.693 18.581 3.881 1.00 62.32 H new ATOM 0 HG3 GLU A 11 -5.001 18.880 5.462 1.00 62.32 H new ATOM 178 N LEU A 12 -1.609 17.819 5.868 1.00 41.43 N ATOM 179 CA LEU A 12 -1.189 17.366 7.197 1.00 34.41 C ATOM 180 C LEU A 12 -0.398 18.459 7.944 1.00 14.12 C ATOM 181 O LEU A 12 0.272 19.290 7.324 1.00 22.40 O ATOM 182 CB LEU A 12 -0.376 16.060 7.061 1.00 14.23 C ATOM 183 CG LEU A 12 0.411 15.893 5.741 1.00 62.24 C ATOM 184 CD1 LEU A 12 1.569 16.883 5.650 1.00 43.15 C ATOM 185 CD2 LEU A 12 0.907 14.455 5.582 1.00 52.44 C ATOM 0 H LEU A 12 -0.963 18.472 5.425 1.00 41.43 H new ATOM 0 HA LEU A 12 -2.075 17.163 7.798 1.00 34.41 H new ATOM 0 HB2 LEU A 12 0.328 16.004 7.891 1.00 14.23 H new ATOM 0 HB3 LEU A 12 -1.059 15.217 7.164 1.00 14.23 H new ATOM 0 HG LEU A 12 -0.272 16.111 4.920 1.00 62.24 H new ATOM 0 HD11 LEU A 12 2.100 16.737 4.709 1.00 43.15 H new ATOM 0 HD12 LEU A 12 1.182 17.901 5.694 1.00 43.15 H new ATOM 0 HD13 LEU A 12 2.254 16.719 6.482 1.00 43.15 H new ATOM 0 HD21 LEU A 12 1.458 14.362 4.646 1.00 52.44 H new ATOM 0 HD22 LEU A 12 1.562 14.202 6.416 1.00 52.44 H new ATOM 0 HD23 LEU A 12 0.055 13.775 5.571 1.00 52.44 H new ATOM 197 N PRO A 13 -0.457 18.465 9.292 1.00 42.45 N ATOM 198 CA PRO A 13 0.120 19.545 10.117 1.00 41.13 C ATOM 199 C PRO A 13 1.657 19.476 10.276 1.00 73.41 C ATOM 200 O PRO A 13 2.194 19.808 11.335 1.00 15.12 O ATOM 201 CB PRO A 13 -0.581 19.337 11.467 1.00 61.03 C ATOM 202 CG PRO A 13 -0.819 17.867 11.541 1.00 34.00 C ATOM 203 CD PRO A 13 -1.097 17.420 10.126 1.00 73.53 C ATOM 0 HA PRO A 13 -0.037 20.523 9.663 1.00 41.13 H new ATOM 0 HB2 PRO A 13 0.040 19.681 12.294 1.00 61.03 H new ATOM 0 HB3 PRO A 13 -1.517 19.894 11.518 1.00 61.03 H new ATOM 0 HG2 PRO A 13 0.050 17.351 11.950 1.00 34.00 H new ATOM 0 HG3 PRO A 13 -1.661 17.640 12.195 1.00 34.00 H new ATOM 0 HD2 PRO A 13 -0.674 16.435 9.927 1.00 73.53 H new ATOM 0 HD3 PRO A 13 -2.167 17.353 9.931 1.00 73.53 H new ATOM 211 N PHE A 14 2.361 19.070 9.219 1.00 13.13 N ATOM 212 CA PHE A 14 3.833 19.054 9.223 1.00 52.13 C ATOM 213 C PHE A 14 4.412 19.201 7.803 1.00 71.21 C ATOM 214 O PHE A 14 3.907 18.610 6.851 1.00 75.51 O ATOM 215 CB PHE A 14 4.369 17.785 9.913 1.00 70.33 C ATOM 216 CG PHE A 14 3.637 16.512 9.558 1.00 73.10 C ATOM 217 CD1 PHE A 14 3.988 15.777 8.438 1.00 25.24 C ATOM 218 CD2 PHE A 14 2.603 16.047 10.361 1.00 42.40 C ATOM 219 CE1 PHE A 14 3.321 14.608 8.122 1.00 51.42 C ATOM 220 CE2 PHE A 14 1.936 14.880 10.049 1.00 22.41 C ATOM 221 CZ PHE A 14 2.296 14.158 8.929 1.00 3.41 C ATOM 0 H PHE A 14 1.941 18.747 8.348 1.00 13.13 H new ATOM 0 HA PHE A 14 4.166 19.919 9.797 1.00 52.13 H new ATOM 0 HB2 PHE A 14 5.421 17.666 9.656 1.00 70.33 H new ATOM 0 HB3 PHE A 14 4.319 17.927 10.993 1.00 70.33 H new ATOM 0 HD1 PHE A 14 4.792 16.121 7.804 1.00 25.24 H new ATOM 0 HD2 PHE A 14 2.318 16.606 11.240 1.00 42.40 H new ATOM 0 HE1 PHE A 14 3.602 14.047 7.243 1.00 51.42 H new ATOM 0 HE2 PHE A 14 1.132 14.532 10.681 1.00 22.41 H new ATOM 0 HZ PHE A 14 1.777 13.243 8.685 1.00 3.41 H new ATOM 231 N GLU A 15 5.480 19.996 7.675 1.00 20.43 N ATOM 232 CA GLU A 15 6.043 20.352 6.357 1.00 24.41 C ATOM 233 C GLU A 15 7.196 19.432 5.909 1.00 15.14 C ATOM 234 O GLU A 15 7.610 19.472 4.749 1.00 20.45 O ATOM 235 CB GLU A 15 6.557 21.796 6.392 1.00 51.50 C ATOM 236 CG GLU A 15 7.719 22.000 7.363 1.00 24.52 C ATOM 237 CD GLU A 15 8.232 23.431 7.384 1.00 51.12 C ATOM 238 OE1 GLU A 15 7.574 24.288 8.009 1.00 53.34 O ATOM 239 OE2 GLU A 15 9.296 23.696 6.785 1.00 71.01 O ATOM 0 H GLU A 15 5.976 20.408 8.465 1.00 20.43 H new ATOM 0 HA GLU A 15 5.234 20.232 5.637 1.00 24.41 H new ATOM 0 HB2 GLU A 15 6.874 22.086 5.390 1.00 51.50 H new ATOM 0 HB3 GLU A 15 5.738 22.459 6.671 1.00 51.50 H new ATOM 0 HG2 GLU A 15 7.400 21.720 8.367 1.00 24.52 H new ATOM 0 HG3 GLU A 15 8.535 21.331 7.090 1.00 24.52 H new ATOM 246 N ARG A 16 7.727 18.620 6.818 1.00 31.20 N ATOM 247 CA ARG A 16 8.914 17.801 6.516 1.00 34.13 C ATOM 248 C ARG A 16 8.901 16.472 7.285 1.00 21.51 C ATOM 249 O ARG A 16 8.637 16.436 8.488 1.00 4.11 O ATOM 250 CB ARG A 16 10.186 18.603 6.841 1.00 34.12 C ATOM 251 CG ARG A 16 10.202 19.149 8.263 1.00 44.51 C ATOM 252 CD ARG A 16 11.318 20.160 8.495 1.00 73.21 C ATOM 253 NE ARG A 16 11.204 20.774 9.817 1.00 21.44 N ATOM 254 CZ ARG A 16 11.258 22.058 10.047 1.00 13.11 C ATOM 255 NH1 ARG A 16 11.469 22.900 9.084 1.00 43.34 N ATOM 256 NH2 ARG A 16 11.085 22.496 11.252 1.00 60.44 N ATOM 0 H ARG A 16 7.364 18.506 7.764 1.00 31.20 H new ATOM 0 HA ARG A 16 8.899 17.556 5.454 1.00 34.13 H new ATOM 0 HB2 ARG A 16 11.058 17.966 6.693 1.00 34.12 H new ATOM 0 HB3 ARG A 16 10.275 19.432 6.139 1.00 34.12 H new ATOM 0 HG2 ARG A 16 9.242 19.619 8.478 1.00 44.51 H new ATOM 0 HG3 ARG A 16 10.316 18.322 8.964 1.00 44.51 H new ATOM 0 HD2 ARG A 16 12.285 19.667 8.402 1.00 73.21 H new ATOM 0 HD3 ARG A 16 11.279 20.932 7.727 1.00 73.21 H new ATOM 0 HE ARG A 16 11.073 20.155 10.617 1.00 21.44 H new ATOM 0 HH11 ARG A 16 11.596 22.562 8.130 1.00 43.34 H new ATOM 0 HH12 ARG A 16 11.508 23.900 9.280 1.00 43.34 H new ATOM 0 HH21 ARG A 16 10.908 21.840 12.013 1.00 60.44 H new ATOM 0 HH22 ARG A 16 11.125 23.497 11.441 1.00 60.44 H new ATOM 270 N VAL A 17 9.196 15.380 6.582 1.00 0.22 N ATOM 271 CA VAL A 17 9.157 14.033 7.171 1.00 5.41 C ATOM 272 C VAL A 17 10.361 13.180 6.749 1.00 60.40 C ATOM 273 O VAL A 17 11.082 13.520 5.815 1.00 52.45 O ATOM 274 CB VAL A 17 7.860 13.281 6.777 1.00 64.20 C ATOM 275 CG1 VAL A 17 6.633 13.942 7.395 1.00 4.41 C ATOM 276 CG2 VAL A 17 7.721 13.202 5.255 1.00 41.41 C ATOM 0 H VAL A 17 9.466 15.397 5.599 1.00 0.22 H new ATOM 0 HA VAL A 17 9.187 14.178 8.251 1.00 5.41 H new ATOM 0 HB VAL A 17 7.929 12.266 7.169 1.00 64.20 H new ATOM 0 HG11 VAL A 17 5.738 13.394 7.102 1.00 4.41 H new ATOM 0 HG12 VAL A 17 6.724 13.934 8.481 1.00 4.41 H new ATOM 0 HG13 VAL A 17 6.559 14.971 7.044 1.00 4.41 H new ATOM 0 HG21 VAL A 17 6.804 12.670 5.000 1.00 41.41 H new ATOM 0 HG22 VAL A 17 7.683 14.209 4.840 1.00 41.41 H new ATOM 0 HG23 VAL A 17 8.576 12.670 4.839 1.00 41.41 H new ATOM 286 N TYR A 18 10.558 12.069 7.451 1.00 13.41 N ATOM 287 CA TYR A 18 11.616 11.107 7.126 1.00 54.30 C ATOM 288 C TYR A 18 11.020 9.710 6.878 1.00 44.02 C ATOM 289 O TYR A 18 10.116 9.277 7.593 1.00 55.20 O ATOM 290 CB TYR A 18 12.643 11.063 8.268 1.00 33.14 C ATOM 291 CG TYR A 18 13.725 10.010 8.100 1.00 51.33 C ATOM 292 CD1 TYR A 18 14.835 10.241 7.292 1.00 23.35 C ATOM 293 CD2 TYR A 18 13.639 8.785 8.759 1.00 33.23 C ATOM 294 CE1 TYR A 18 15.819 9.282 7.139 1.00 24.43 C ATOM 295 CE2 TYR A 18 14.619 7.824 8.610 1.00 34.24 C ATOM 296 CZ TYR A 18 15.707 8.076 7.802 1.00 43.14 C ATOM 297 OH TYR A 18 16.686 7.116 7.654 1.00 72.25 O ATOM 0 H TYR A 18 9.993 11.807 8.259 1.00 13.41 H new ATOM 0 HA TYR A 18 12.117 11.426 6.212 1.00 54.30 H new ATOM 0 HB2 TYR A 18 13.116 12.042 8.353 1.00 33.14 H new ATOM 0 HB3 TYR A 18 12.118 10.880 9.206 1.00 33.14 H new ATOM 0 HD1 TYR A 18 14.929 11.185 6.776 1.00 23.35 H new ATOM 0 HD2 TYR A 18 12.791 8.584 9.397 1.00 33.23 H new ATOM 0 HE1 TYR A 18 16.671 9.475 6.504 1.00 24.43 H new ATOM 0 HE2 TYR A 18 14.533 6.878 9.125 1.00 34.24 H new ATOM 0 HH TYR A 18 16.455 6.328 8.189 1.00 72.25 H new ATOM 307 N ILE A 19 11.523 9.012 5.861 1.00 51.42 N ATOM 308 CA ILE A 19 11.029 7.671 5.521 1.00 53.23 C ATOM 309 C ILE A 19 12.083 6.587 5.819 1.00 60.03 C ATOM 310 O ILE A 19 13.288 6.836 5.735 1.00 4.45 O ATOM 311 CB ILE A 19 10.610 7.590 4.027 1.00 20.43 C ATOM 312 CG1 ILE A 19 9.995 6.212 3.707 1.00 75.32 C ATOM 313 CG2 ILE A 19 11.804 7.881 3.113 1.00 65.30 C ATOM 314 CD1 ILE A 19 9.565 6.045 2.262 1.00 1.51 C ATOM 0 H ILE A 19 12.272 9.349 5.256 1.00 51.42 H new ATOM 0 HA ILE A 19 10.155 7.488 6.146 1.00 53.23 H new ATOM 0 HB ILE A 19 9.851 8.350 3.843 1.00 20.43 H new ATOM 0 HG12 ILE A 19 10.722 5.437 3.950 1.00 75.32 H new ATOM 0 HG13 ILE A 19 9.131 6.053 4.352 1.00 75.32 H new ATOM 0 HG21 ILE A 19 11.489 7.819 2.071 1.00 65.30 H new ATOM 0 HG22 ILE A 19 12.184 8.882 3.318 1.00 65.30 H new ATOM 0 HG23 ILE A 19 12.591 7.149 3.298 1.00 65.30 H new ATOM 0 HD11 ILE A 19 9.144 5.050 2.121 1.00 1.51 H new ATOM 0 HD12 ILE A 19 8.814 6.796 2.017 1.00 1.51 H new ATOM 0 HD13 ILE A 19 10.429 6.169 1.609 1.00 1.51 H new ATOM 326 N THR A 20 11.625 5.390 6.184 1.00 31.12 N ATOM 327 CA THR A 20 12.529 4.261 6.443 1.00 75.42 C ATOM 328 C THR A 20 11.853 2.908 6.170 1.00 32.34 C ATOM 329 O THR A 20 10.648 2.743 6.380 1.00 52.05 O ATOM 330 CB THR A 20 13.067 4.285 7.894 1.00 3.44 C ATOM 331 OG1 THR A 20 13.809 3.087 8.176 1.00 51.40 O ATOM 332 CG2 THR A 20 11.933 4.443 8.902 1.00 55.35 C ATOM 0 H THR A 20 10.636 5.173 6.308 1.00 31.12 H new ATOM 0 HA THR A 20 13.365 4.375 5.753 1.00 75.42 H new ATOM 0 HB THR A 20 13.730 5.145 7.987 1.00 3.44 H new ATOM 0 HG1 THR A 20 14.144 3.119 9.097 1.00 51.40 H new ATOM 0 HG21 THR A 20 12.343 4.456 9.912 1.00 55.35 H new ATOM 0 HG22 THR A 20 11.405 5.378 8.712 1.00 55.35 H new ATOM 0 HG23 THR A 20 11.239 3.608 8.803 1.00 55.35 H new ATOM 340 N ALA A 21 12.643 1.942 5.695 1.00 60.23 N ATOM 341 CA ALA A 21 12.137 0.603 5.366 1.00 61.14 C ATOM 342 C ALA A 21 13.151 -0.490 5.759 1.00 51.51 C ATOM 343 O ALA A 21 14.348 -0.346 5.514 1.00 34.21 O ATOM 344 CB ALA A 21 11.813 0.515 3.876 1.00 43.54 C ATOM 0 H ALA A 21 13.642 2.062 5.528 1.00 60.23 H new ATOM 0 HA ALA A 21 11.225 0.435 5.939 1.00 61.14 H new ATOM 0 HB1 ALA A 21 11.439 -0.482 3.643 1.00 43.54 H new ATOM 0 HB2 ALA A 21 11.054 1.256 3.624 1.00 43.54 H new ATOM 0 HB3 ALA A 21 12.715 0.709 3.295 1.00 43.54 H new ATOM 350 N PRO A 22 12.681 -1.608 6.351 1.00 51.42 N ATOM 351 CA PRO A 22 13.567 -2.679 6.852 1.00 40.32 C ATOM 352 C PRO A 22 14.336 -3.412 5.736 1.00 63.10 C ATOM 353 O PRO A 22 15.546 -3.621 5.842 1.00 2.51 O ATOM 354 CB PRO A 22 12.597 -3.641 7.560 1.00 4.52 C ATOM 355 CG PRO A 22 11.274 -3.387 6.917 1.00 21.14 C ATOM 356 CD PRO A 22 11.258 -1.918 6.586 1.00 23.51 C ATOM 0 HA PRO A 22 14.348 -2.277 7.497 1.00 40.32 H new ATOM 0 HB2 PRO A 22 12.906 -4.679 7.434 1.00 4.52 H new ATOM 0 HB3 PRO A 22 12.560 -3.448 8.632 1.00 4.52 H new ATOM 0 HG2 PRO A 22 11.153 -3.992 6.019 1.00 21.14 H new ATOM 0 HG3 PRO A 22 10.456 -3.646 7.589 1.00 21.14 H new ATOM 0 HD2 PRO A 22 10.650 -1.711 5.705 1.00 23.51 H new ATOM 0 HD3 PRO A 22 10.847 -1.326 7.404 1.00 23.51 H new ATOM 364 N ALA A 23 13.632 -3.801 4.673 1.00 30.32 N ATOM 365 CA ALA A 23 14.239 -4.563 3.569 1.00 13.40 C ATOM 366 C ALA A 23 14.205 -3.791 2.238 1.00 44.44 C ATOM 367 O ALA A 23 14.449 -4.367 1.176 1.00 63.44 O ATOM 368 CB ALA A 23 13.528 -5.907 3.418 1.00 0.43 C ATOM 0 H ALA A 23 12.639 -3.603 4.548 1.00 30.32 H new ATOM 0 HA ALA A 23 15.288 -4.726 3.818 1.00 13.40 H new ATOM 0 HB1 ALA A 23 13.980 -6.468 2.600 1.00 0.43 H new ATOM 0 HB2 ALA A 23 13.623 -6.475 4.343 1.00 0.43 H new ATOM 0 HB3 ALA A 23 12.473 -5.738 3.203 1.00 0.43 H new ATOM 374 N GLY A 24 13.923 -2.489 2.299 1.00 70.12 N ATOM 375 CA GLY A 24 13.828 -1.677 1.084 1.00 3.11 C ATOM 376 C GLY A 24 12.771 -2.187 0.103 1.00 51.43 C ATOM 377 O GLY A 24 13.097 -2.794 -0.919 1.00 51.12 O ATOM 0 H GLY A 24 13.758 -1.978 3.166 1.00 70.12 H new ATOM 0 HA2 GLY A 24 13.594 -0.649 1.359 1.00 3.11 H new ATOM 0 HA3 GLY A 24 14.798 -1.661 0.588 1.00 3.11 H new ATOM 381 N LEU A 25 11.502 -1.936 0.414 1.00 72.41 N ATOM 382 CA LEU A 25 10.386 -2.454 -0.390 1.00 63.20 C ATOM 383 C LEU A 25 9.881 -1.406 -1.400 1.00 61.23 C ATOM 384 O LEU A 25 10.035 -0.198 -1.186 1.00 23.54 O ATOM 385 CB LEU A 25 9.220 -2.891 0.519 1.00 64.41 C ATOM 386 CG LEU A 25 9.551 -3.937 1.608 1.00 64.30 C ATOM 387 CD1 LEU A 25 10.334 -3.311 2.761 1.00 54.43 C ATOM 388 CD2 LEU A 25 8.277 -4.598 2.126 1.00 63.51 C ATOM 0 H LEU A 25 11.215 -1.377 1.217 1.00 72.41 H new ATOM 0 HA LEU A 25 10.760 -3.316 -0.943 1.00 63.20 H new ATOM 0 HB2 LEU A 25 8.818 -2.004 1.009 1.00 64.41 H new ATOM 0 HB3 LEU A 25 8.428 -3.294 -0.112 1.00 64.41 H new ATOM 0 HG LEU A 25 10.179 -4.702 1.152 1.00 64.30 H new ATOM 0 HD11 LEU A 25 10.551 -4.073 3.510 1.00 54.43 H new ATOM 0 HD12 LEU A 25 11.269 -2.897 2.383 1.00 54.43 H new ATOM 0 HD13 LEU A 25 9.742 -2.516 3.214 1.00 54.43 H new ATOM 0 HD21 LEU A 25 8.533 -5.331 2.891 1.00 63.51 H new ATOM 0 HD22 LEU A 25 7.622 -3.839 2.554 1.00 63.51 H new ATOM 0 HD23 LEU A 25 7.765 -5.097 1.303 1.00 63.51 H new ATOM 400 N THR A 26 9.258 -1.880 -2.486 1.00 40.21 N ATOM 401 CA THR A 26 8.675 -0.993 -3.513 1.00 1.30 C ATOM 402 C THR A 26 7.753 0.060 -2.890 1.00 13.24 C ATOM 403 O THR A 26 7.832 1.242 -3.222 1.00 14.34 O ATOM 404 CB THR A 26 7.858 -1.790 -4.560 1.00 70.35 C ATOM 405 OG1 THR A 26 6.800 -2.513 -3.906 1.00 75.24 O ATOM 406 CG2 THR A 26 8.747 -2.766 -5.326 1.00 4.10 C ATOM 0 H THR A 26 9.142 -2.874 -2.681 1.00 40.21 H new ATOM 0 HA THR A 26 9.517 -0.503 -4.001 1.00 1.30 H new ATOM 0 HB THR A 26 7.434 -1.081 -5.271 1.00 70.35 H new ATOM 0 HG1 THR A 26 6.285 -3.014 -4.573 1.00 75.24 H new ATOM 0 HG21 THR A 26 8.146 -3.311 -6.054 1.00 4.10 H new ATOM 0 HG22 THR A 26 9.531 -2.214 -5.844 1.00 4.10 H new ATOM 0 HG23 THR A 26 9.199 -3.471 -4.628 1.00 4.10 H new ATOM 414 N ILE A 27 6.894 -0.386 -1.972 1.00 12.44 N ATOM 415 CA ILE A 27 5.948 0.495 -1.269 1.00 35.02 C ATOM 416 C ILE A 27 6.620 1.793 -0.763 1.00 71.51 C ATOM 417 O ILE A 27 6.003 2.857 -0.751 1.00 55.32 O ATOM 418 CB ILE A 27 5.289 -0.253 -0.075 1.00 12.43 C ATOM 419 CG1 ILE A 27 4.173 0.597 0.563 1.00 30.33 C ATOM 420 CG2 ILE A 27 6.337 -0.645 0.967 1.00 60.12 C ATOM 421 CD1 ILE A 27 2.969 0.801 -0.337 1.00 71.44 C ATOM 0 H ILE A 27 6.831 -1.365 -1.692 1.00 12.44 H new ATOM 0 HA ILE A 27 5.182 0.777 -1.992 1.00 35.02 H new ATOM 0 HB ILE A 27 4.836 -1.166 -0.461 1.00 12.43 H new ATOM 0 HG12 ILE A 27 3.848 0.118 1.487 1.00 30.33 H new ATOM 0 HG13 ILE A 27 4.581 1.571 0.835 1.00 30.33 H new ATOM 0 HG21 ILE A 27 5.852 -1.167 1.792 1.00 60.12 H new ATOM 0 HG22 ILE A 27 7.078 -1.300 0.509 1.00 60.12 H new ATOM 0 HG23 ILE A 27 6.829 0.252 1.344 1.00 60.12 H new ATOM 0 HD11 ILE A 27 2.227 1.408 0.181 1.00 71.44 H new ATOM 0 HD12 ILE A 27 3.279 1.308 -1.251 1.00 71.44 H new ATOM 0 HD13 ILE A 27 2.535 -0.167 -0.589 1.00 71.44 H new ATOM 433 N GLY A 28 7.892 1.695 -0.363 1.00 2.30 N ATOM 434 CA GLY A 28 8.631 2.868 0.104 1.00 42.10 C ATOM 435 C GLY A 28 8.995 3.827 -1.026 1.00 31.33 C ATOM 436 O GLY A 28 8.959 5.047 -0.855 1.00 71.22 O ATOM 0 H GLY A 28 8.425 0.825 -0.354 1.00 2.30 H new ATOM 0 HA2 GLY A 28 8.032 3.398 0.845 1.00 42.10 H new ATOM 0 HA3 GLY A 28 9.542 2.542 0.605 1.00 42.10 H new ATOM 440 N SER A 29 9.337 3.271 -2.187 1.00 14.04 N ATOM 441 CA SER A 29 9.692 4.079 -3.362 1.00 3.22 C ATOM 442 C SER A 29 8.514 4.955 -3.802 1.00 24.41 C ATOM 443 O SER A 29 8.651 6.169 -3.961 1.00 65.22 O ATOM 444 CB SER A 29 10.130 3.175 -4.523 1.00 63.25 C ATOM 445 OG SER A 29 10.435 3.933 -5.686 1.00 75.00 O ATOM 0 H SER A 29 9.377 2.264 -2.343 1.00 14.04 H new ATOM 0 HA SER A 29 10.522 4.728 -3.083 1.00 3.22 H new ATOM 0 HB2 SER A 29 11.004 2.596 -4.225 1.00 63.25 H new ATOM 0 HB3 SER A 29 9.337 2.462 -4.750 1.00 63.25 H new ATOM 0 HG SER A 29 10.712 3.329 -6.407 1.00 75.00 H new ATOM 451 N ASP A 30 7.358 4.329 -3.998 1.00 70.53 N ATOM 452 CA ASP A 30 6.131 5.051 -4.333 1.00 31.22 C ATOM 453 C ASP A 30 5.727 6.020 -3.205 1.00 32.12 C ATOM 454 O ASP A 30 5.285 7.141 -3.466 1.00 43.32 O ATOM 455 CB ASP A 30 4.999 4.054 -4.598 1.00 32.43 C ATOM 456 CG ASP A 30 5.320 3.101 -5.741 1.00 52.04 C ATOM 457 OD1 ASP A 30 6.201 2.232 -5.564 1.00 24.10 O ATOM 458 OD2 ASP A 30 4.695 3.219 -6.818 1.00 72.12 O ATOM 0 H ASP A 30 7.243 3.318 -3.931 1.00 70.53 H new ATOM 0 HA ASP A 30 6.316 5.639 -5.232 1.00 31.22 H new ATOM 0 HB2 ASP A 30 4.806 3.479 -3.692 1.00 32.43 H new ATOM 0 HB3 ASP A 30 4.085 4.600 -4.830 1.00 32.43 H new ATOM 463 N LEU A 31 5.902 5.582 -1.956 1.00 70.41 N ATOM 464 CA LEU A 31 5.535 6.379 -0.777 1.00 72.43 C ATOM 465 C LEU A 31 6.185 7.775 -0.793 1.00 4.53 C ATOM 466 O LEU A 31 5.493 8.785 -0.644 1.00 62.22 O ATOM 467 CB LEU A 31 5.923 5.628 0.506 1.00 54.32 C ATOM 468 CG LEU A 31 5.468 6.279 1.823 1.00 5.54 C ATOM 469 CD1 LEU A 31 3.945 6.395 1.875 1.00 54.15 C ATOM 470 CD2 LEU A 31 5.992 5.485 3.019 1.00 65.23 C ATOM 0 H LEU A 31 6.300 4.670 -1.731 1.00 70.41 H new ATOM 0 HA LEU A 31 4.455 6.525 -0.803 1.00 72.43 H new ATOM 0 HB2 LEU A 31 5.506 4.622 0.456 1.00 54.32 H new ATOM 0 HB3 LEU A 31 7.008 5.523 0.530 1.00 54.32 H new ATOM 0 HG LEU A 31 5.883 7.286 1.869 1.00 5.54 H new ATOM 0 HD11 LEU A 31 3.647 6.858 2.816 1.00 54.15 H new ATOM 0 HD12 LEU A 31 3.598 7.008 1.043 1.00 54.15 H new ATOM 0 HD13 LEU A 31 3.502 5.402 1.804 1.00 54.15 H new ATOM 0 HD21 LEU A 31 5.661 5.959 3.943 1.00 65.23 H new ATOM 0 HD22 LEU A 31 5.608 4.466 2.976 1.00 65.23 H new ATOM 0 HD23 LEU A 31 7.081 5.463 2.992 1.00 65.23 H new ATOM 482 N GLU A 32 7.512 7.830 -0.982 1.00 71.14 N ATOM 483 CA GLU A 32 8.241 9.113 -1.029 1.00 32.13 C ATOM 484 C GLU A 32 7.573 10.107 -1.987 1.00 10.42 C ATOM 485 O GLU A 32 7.408 11.289 -1.672 1.00 43.13 O ATOM 486 CB GLU A 32 9.697 8.909 -1.485 1.00 3.23 C ATOM 487 CG GLU A 32 10.561 8.087 -0.534 1.00 24.41 C ATOM 488 CD GLU A 32 12.024 8.057 -0.963 1.00 65.22 C ATOM 489 OE1 GLU A 32 12.401 7.172 -1.762 1.00 74.42 O ATOM 490 OE2 GLU A 32 12.799 8.932 -0.520 1.00 62.31 O ATOM 0 H GLU A 32 8.102 7.007 -1.105 1.00 71.14 H new ATOM 0 HA GLU A 32 8.222 9.516 -0.016 1.00 32.13 H new ATOM 0 HB2 GLU A 32 9.692 8.422 -2.460 1.00 3.23 H new ATOM 0 HB3 GLU A 32 10.160 9.886 -1.620 1.00 3.23 H new ATOM 0 HG2 GLU A 32 10.488 8.502 0.471 1.00 24.41 H new ATOM 0 HG3 GLU A 32 10.177 7.068 -0.487 1.00 24.41 H new ATOM 497 N ARG A 33 7.181 9.611 -3.157 1.00 55.10 N ATOM 498 CA ARG A 33 6.649 10.463 -4.221 1.00 54.51 C ATOM 499 C ARG A 33 5.186 10.849 -3.950 1.00 61.43 C ATOM 500 O ARG A 33 4.822 12.021 -4.023 1.00 15.01 O ATOM 501 CB ARG A 33 6.773 9.747 -5.574 1.00 71.21 C ATOM 502 CG ARG A 33 8.087 8.982 -5.733 1.00 14.53 C ATOM 503 CD ARG A 33 8.264 8.413 -7.137 1.00 42.10 C ATOM 504 NE ARG A 33 8.809 9.401 -8.063 1.00 53.03 N ATOM 505 CZ ARG A 33 10.085 9.554 -8.306 1.00 0.04 C ATOM 506 NH1 ARG A 33 10.978 8.847 -7.679 1.00 62.10 N ATOM 507 NH2 ARG A 33 10.471 10.423 -9.172 1.00 74.33 N ATOM 0 H ARG A 33 7.221 8.620 -3.395 1.00 55.10 H new ATOM 0 HA ARG A 33 7.234 11.382 -4.247 1.00 54.51 H new ATOM 0 HB2 ARG A 33 5.940 9.053 -5.688 1.00 71.21 H new ATOM 0 HB3 ARG A 33 6.688 10.481 -6.375 1.00 71.21 H new ATOM 0 HG2 ARG A 33 8.921 9.647 -5.506 1.00 14.53 H new ATOM 0 HG3 ARG A 33 8.121 8.169 -5.008 1.00 14.53 H new ATOM 0 HD2 ARG A 33 8.927 7.549 -7.097 1.00 42.10 H new ATOM 0 HD3 ARG A 33 7.302 8.060 -7.509 1.00 42.10 H new ATOM 0 HE ARG A 33 8.153 10.011 -8.551 1.00 53.03 H new ATOM 0 HH11 ARG A 33 10.688 8.159 -6.984 1.00 62.10 H new ATOM 0 HH12 ARG A 33 11.969 8.980 -7.882 1.00 62.10 H new ATOM 0 HH21 ARG A 33 9.783 10.990 -9.667 1.00 74.33 H new ATOM 0 HH22 ARG A 33 11.465 10.545 -9.364 1.00 74.33 H new ATOM 521 N VAL A 34 4.354 9.860 -3.624 1.00 0.44 N ATOM 522 CA VAL A 34 2.928 10.099 -3.354 1.00 32.54 C ATOM 523 C VAL A 34 2.723 11.133 -2.231 1.00 54.14 C ATOM 524 O VAL A 34 1.921 12.060 -2.373 1.00 54.50 O ATOM 525 CB VAL A 34 2.193 8.783 -2.994 1.00 12.22 C ATOM 526 CG1 VAL A 34 0.737 9.049 -2.607 1.00 45.52 C ATOM 527 CG2 VAL A 34 2.269 7.799 -4.159 1.00 61.03 C ATOM 0 H VAL A 34 4.639 8.884 -3.539 1.00 0.44 H new ATOM 0 HA VAL A 34 2.500 10.501 -4.273 1.00 32.54 H new ATOM 0 HB VAL A 34 2.691 8.342 -2.130 1.00 12.22 H new ATOM 0 HG11 VAL A 34 0.248 8.107 -2.360 1.00 45.52 H new ATOM 0 HG12 VAL A 34 0.706 9.712 -1.742 1.00 45.52 H new ATOM 0 HG13 VAL A 34 0.218 9.519 -3.443 1.00 45.52 H new ATOM 0 HG21 VAL A 34 1.749 6.879 -3.893 1.00 61.03 H new ATOM 0 HG22 VAL A 34 1.800 8.240 -5.039 1.00 61.03 H new ATOM 0 HG23 VAL A 34 3.313 7.575 -4.379 1.00 61.03 H new ATOM 537 N ILE A 35 3.455 10.979 -1.127 1.00 33.31 N ATOM 538 CA ILE A 35 3.387 11.941 -0.020 1.00 11.33 C ATOM 539 C ILE A 35 3.801 13.348 -0.484 1.00 73.22 C ATOM 540 O ILE A 35 3.013 14.291 -0.414 1.00 65.44 O ATOM 541 CB ILE A 35 4.294 11.513 1.168 1.00 33.43 C ATOM 542 CG1 ILE A 35 3.875 10.131 1.704 1.00 43.24 C ATOM 543 CG2 ILE A 35 4.256 12.560 2.285 1.00 62.14 C ATOM 544 CD1 ILE A 35 2.469 10.078 2.270 1.00 63.54 C ATOM 0 H ILE A 35 4.099 10.203 -0.973 1.00 33.31 H new ATOM 0 HA ILE A 35 2.350 11.959 0.316 1.00 11.33 H new ATOM 0 HB ILE A 35 5.319 11.441 0.803 1.00 33.43 H new ATOM 0 HG12 ILE A 35 3.957 9.402 0.898 1.00 43.24 H new ATOM 0 HG13 ILE A 35 4.578 9.828 2.480 1.00 43.24 H new ATOM 0 HG21 ILE A 35 4.898 12.240 3.106 1.00 62.14 H new ATOM 0 HG22 ILE A 35 4.610 13.516 1.900 1.00 62.14 H new ATOM 0 HG23 ILE A 35 3.233 12.670 2.646 1.00 62.14 H new ATOM 0 HD11 ILE A 35 2.257 9.069 2.624 1.00 63.54 H new ATOM 0 HD12 ILE A 35 2.384 10.779 3.100 1.00 63.54 H new ATOM 0 HD13 ILE A 35 1.754 10.347 1.493 1.00 63.54 H new ATOM 556 N SER A 36 5.029 13.469 -0.985 1.00 22.34 N ATOM 557 CA SER A 36 5.589 14.768 -1.400 1.00 72.11 C ATOM 558 C SER A 36 4.717 15.493 -2.443 1.00 32.32 C ATOM 559 O SER A 36 4.559 16.713 -2.392 1.00 52.42 O ATOM 560 CB SER A 36 7.001 14.575 -1.966 1.00 55.24 C ATOM 561 OG SER A 36 7.557 15.804 -2.412 1.00 12.24 O ATOM 0 H SER A 36 5.664 12.682 -1.117 1.00 22.34 H new ATOM 0 HA SER A 36 5.618 15.394 -0.508 1.00 72.11 H new ATOM 0 HB2 SER A 36 7.644 14.140 -1.201 1.00 55.24 H new ATOM 0 HB3 SER A 36 6.968 13.868 -2.795 1.00 55.24 H new ATOM 0 HG SER A 36 8.457 15.647 -2.765 1.00 12.24 H new ATOM 567 N THR A 37 4.154 14.740 -3.384 1.00 64.35 N ATOM 568 CA THR A 37 3.387 15.333 -4.496 1.00 50.45 C ATOM 569 C THR A 37 1.970 15.768 -4.087 1.00 43.21 C ATOM 570 O THR A 37 1.468 16.787 -4.564 1.00 51.33 O ATOM 571 CB THR A 37 3.266 14.355 -5.691 1.00 53.21 C ATOM 572 OG1 THR A 37 2.615 13.144 -5.270 1.00 21.13 O ATOM 573 CG2 THR A 37 4.636 14.021 -6.283 1.00 72.11 C ATOM 0 H THR A 37 4.209 13.722 -3.407 1.00 64.35 H new ATOM 0 HA THR A 37 3.953 16.218 -4.789 1.00 50.45 H new ATOM 0 HB THR A 37 2.672 14.844 -6.463 1.00 53.21 H new ATOM 0 HG1 THR A 37 3.255 12.579 -4.788 1.00 21.13 H new ATOM 0 HG21 THR A 37 4.513 13.333 -7.119 1.00 72.11 H new ATOM 0 HG22 THR A 37 5.114 14.936 -6.633 1.00 72.11 H new ATOM 0 HG23 THR A 37 5.259 13.556 -5.519 1.00 72.11 H new ATOM 581 N HIS A 38 1.319 15.001 -3.213 1.00 54.13 N ATOM 582 CA HIS A 38 -0.098 15.245 -2.890 1.00 41.31 C ATOM 583 C HIS A 38 -0.314 15.987 -1.556 1.00 71.22 C ATOM 584 O HIS A 38 -1.362 16.606 -1.359 1.00 65.52 O ATOM 585 CB HIS A 38 -0.871 13.921 -2.877 1.00 2.41 C ATOM 586 CG HIS A 38 -0.868 13.213 -4.200 1.00 15.31 C ATOM 587 ND1 HIS A 38 -1.560 13.673 -5.299 1.00 42.34 N ATOM 588 CD2 HIS A 38 -0.249 12.076 -4.602 1.00 10.54 C ATOM 589 CE1 HIS A 38 -1.369 12.855 -6.314 1.00 1.15 C ATOM 590 NE2 HIS A 38 -0.577 11.880 -5.921 1.00 44.23 N ATOM 0 H HIS A 38 1.738 14.214 -2.718 1.00 54.13 H new ATOM 0 HA HIS A 38 -0.478 15.901 -3.674 1.00 41.31 H new ATOM 0 HB2 HIS A 38 -0.439 13.265 -2.122 1.00 2.41 H new ATOM 0 HB3 HIS A 38 -1.902 14.114 -2.580 1.00 2.41 H new ATOM 0 HD2 HIS A 38 0.384 11.443 -3.998 1.00 10.54 H new ATOM 0 HE1 HIS A 38 -1.791 12.966 -7.302 1.00 1.15 H new ATOM 0 HE2 HIS A 38 -0.258 11.105 -6.502 1.00 44.23 H new ATOM 599 N THR A 39 0.651 15.922 -0.638 1.00 22.02 N ATOM 600 CA THR A 39 0.501 16.582 0.676 1.00 31.15 C ATOM 601 C THR A 39 1.247 17.920 0.725 1.00 1.33 C ATOM 602 O THR A 39 1.641 18.468 -0.303 1.00 30.31 O ATOM 603 CB THR A 39 1.023 15.703 1.841 1.00 41.23 C ATOM 604 OG1 THR A 39 2.458 15.713 1.874 1.00 21.43 O ATOM 605 CG2 THR A 39 0.520 14.273 1.720 1.00 11.45 C ATOM 0 H THR A 39 1.535 15.429 -0.768 1.00 22.02 H new ATOM 0 HA THR A 39 -0.570 16.745 0.798 1.00 31.15 H new ATOM 0 HB THR A 39 0.641 16.124 2.771 1.00 41.23 H new ATOM 0 HG1 THR A 39 2.806 15.214 1.106 1.00 21.43 H new ATOM 0 HG21 THR A 39 0.903 13.681 2.551 1.00 11.45 H new ATOM 0 HG22 THR A 39 -0.570 14.268 1.742 1.00 11.45 H new ATOM 0 HG23 THR A 39 0.866 13.844 0.780 1.00 11.45 H new ATOM 613 N ARG A 40 1.425 18.450 1.936 1.00 22.12 N ATOM 614 CA ARG A 40 2.182 19.689 2.142 1.00 5.51 C ATOM 615 C ARG A 40 3.590 19.379 2.688 1.00 0.13 C ATOM 616 O ARG A 40 4.382 20.285 2.953 1.00 21.45 O ATOM 617 CB ARG A 40 1.425 20.597 3.128 1.00 74.22 C ATOM 618 CG ARG A 40 1.850 22.064 3.090 1.00 45.33 C ATOM 619 CD ARG A 40 1.482 22.722 1.763 1.00 22.42 C ATOM 620 NE ARG A 40 1.831 24.140 1.729 1.00 53.44 N ATOM 621 CZ ARG A 40 1.259 25.018 0.947 1.00 15.23 C ATOM 622 NH1 ARG A 40 0.269 24.684 0.184 1.00 34.23 N ATOM 623 NH2 ARG A 40 1.667 26.242 0.952 1.00 60.51 N ATOM 0 H ARG A 40 1.054 18.040 2.793 1.00 22.12 H new ATOM 0 HA ARG A 40 2.288 20.200 1.185 1.00 5.51 H new ATOM 0 HB2 ARG A 40 0.358 20.535 2.914 1.00 74.22 H new ATOM 0 HB3 ARG A 40 1.570 20.216 4.139 1.00 74.22 H new ATOM 0 HG2 ARG A 40 1.373 22.603 3.909 1.00 45.33 H new ATOM 0 HG3 ARG A 40 2.926 22.136 3.246 1.00 45.33 H new ATOM 0 HD2 ARG A 40 1.993 22.205 0.950 1.00 22.42 H new ATOM 0 HD3 ARG A 40 0.412 22.610 1.589 1.00 22.42 H new ATOM 0 HE ARG A 40 2.568 24.466 2.355 1.00 53.44 H new ATOM 0 HH11 ARG A 40 -0.076 23.724 0.187 1.00 34.23 H new ATOM 0 HH12 ARG A 40 -0.167 25.381 -0.420 1.00 34.23 H new ATOM 0 HH21 ARG A 40 2.433 26.522 1.565 1.00 60.51 H new ATOM 0 HH22 ARG A 40 1.223 26.930 0.343 1.00 60.51 H new ATOM 637 N ALA A 41 3.896 18.092 2.839 1.00 3.01 N ATOM 638 CA ALA A 41 5.157 17.654 3.446 1.00 72.32 C ATOM 639 C ALA A 41 6.239 17.347 2.399 1.00 41.04 C ATOM 640 O ALA A 41 5.945 16.954 1.269 1.00 61.35 O ATOM 641 CB ALA A 41 4.913 16.428 4.320 1.00 41.41 C ATOM 0 H ALA A 41 3.286 17.328 2.548 1.00 3.01 H new ATOM 0 HA ALA A 41 5.526 18.478 4.057 1.00 72.32 H new ATOM 0 HB1 ALA A 41 5.854 16.108 4.768 1.00 41.41 H new ATOM 0 HB2 ALA A 41 4.203 16.678 5.108 1.00 41.41 H new ATOM 0 HB3 ALA A 41 4.508 15.621 3.710 1.00 41.41 H new ATOM 647 N LYS A 42 7.495 17.538 2.793 1.00 54.43 N ATOM 648 CA LYS A 42 8.648 17.219 1.948 1.00 31.13 C ATOM 649 C LYS A 42 9.535 16.174 2.644 1.00 51.32 C ATOM 650 O LYS A 42 9.901 16.334 3.811 1.00 5.12 O ATOM 651 CB LYS A 42 9.435 18.511 1.634 1.00 24.45 C ATOM 652 CG LYS A 42 10.625 18.338 0.678 1.00 24.54 C ATOM 653 CD LYS A 42 11.904 17.917 1.401 1.00 54.22 C ATOM 654 CE LYS A 42 13.082 17.757 0.441 1.00 44.12 C ATOM 655 NZ LYS A 42 12.876 16.645 -0.528 1.00 24.42 N ATOM 0 H LYS A 42 7.745 17.918 3.706 1.00 54.43 H new ATOM 0 HA LYS A 42 8.307 16.792 1.005 1.00 31.13 H new ATOM 0 HB2 LYS A 42 8.748 19.240 1.205 1.00 24.45 H new ATOM 0 HB3 LYS A 42 9.801 18.931 2.571 1.00 24.45 H new ATOM 0 HG2 LYS A 42 10.375 17.591 -0.075 1.00 24.54 H new ATOM 0 HG3 LYS A 42 10.802 19.275 0.151 1.00 24.54 H new ATOM 0 HD2 LYS A 42 12.153 18.660 2.159 1.00 54.22 H new ATOM 0 HD3 LYS A 42 11.732 16.976 1.923 1.00 54.22 H new ATOM 0 HE2 LYS A 42 13.232 18.688 -0.105 1.00 44.12 H new ATOM 0 HE3 LYS A 42 13.991 17.573 1.013 1.00 44.12 H new ATOM 0 HZ1 LYS A 42 13.722 16.543 -1.124 1.00 24.42 H new ATOM 0 HZ2 LYS A 42 12.709 15.759 -0.009 1.00 24.42 H new ATOM 0 HZ3 LYS A 42 12.053 16.855 -1.128 1.00 24.42 H new ATOM 669 N VAL A 43 9.871 15.103 1.929 1.00 61.31 N ATOM 670 CA VAL A 43 10.696 14.024 2.488 1.00 73.50 C ATOM 671 C VAL A 43 12.182 14.418 2.526 1.00 31.13 C ATOM 672 O VAL A 43 12.772 14.751 1.496 1.00 21.22 O ATOM 673 CB VAL A 43 10.535 12.712 1.675 1.00 21.43 C ATOM 674 CG1 VAL A 43 11.358 11.580 2.296 1.00 1.40 C ATOM 675 CG2 VAL A 43 9.063 12.316 1.571 1.00 31.51 C ATOM 0 H VAL A 43 9.587 14.955 0.961 1.00 61.31 H new ATOM 0 HA VAL A 43 10.348 13.856 3.507 1.00 73.50 H new ATOM 0 HB VAL A 43 10.912 12.891 0.668 1.00 21.43 H new ATOM 0 HG11 VAL A 43 11.228 10.671 1.708 1.00 1.40 H new ATOM 0 HG12 VAL A 43 12.412 11.859 2.305 1.00 1.40 H new ATOM 0 HG13 VAL A 43 11.021 11.403 3.317 1.00 1.40 H new ATOM 0 HG21 VAL A 43 8.974 11.394 0.997 1.00 31.51 H new ATOM 0 HG22 VAL A 43 8.656 12.162 2.570 1.00 31.51 H new ATOM 0 HG23 VAL A 43 8.507 13.109 1.071 1.00 31.51 H new ATOM 685 N VAL A 44 12.776 14.389 3.719 1.00 11.13 N ATOM 686 CA VAL A 44 14.189 14.737 3.901 1.00 31.00 C ATOM 687 C VAL A 44 15.056 13.485 4.136 1.00 42.15 C ATOM 688 O VAL A 44 14.552 12.428 4.517 1.00 54.12 O ATOM 689 CB VAL A 44 14.377 15.732 5.077 1.00 33.43 C ATOM 690 CG1 VAL A 44 13.636 17.042 4.804 1.00 11.33 C ATOM 691 CG2 VAL A 44 13.918 15.117 6.397 1.00 72.44 C ATOM 0 H VAL A 44 12.298 14.126 4.581 1.00 11.13 H new ATOM 0 HA VAL A 44 14.517 15.216 2.979 1.00 31.00 H new ATOM 0 HB VAL A 44 15.441 15.952 5.161 1.00 33.43 H new ATOM 0 HG11 VAL A 44 13.782 17.724 5.642 1.00 11.33 H new ATOM 0 HG12 VAL A 44 14.025 17.497 3.893 1.00 11.33 H new ATOM 0 HG13 VAL A 44 12.572 16.840 4.682 1.00 11.33 H new ATOM 0 HG21 VAL A 44 14.061 15.837 7.203 1.00 72.44 H new ATOM 0 HG22 VAL A 44 12.862 14.855 6.328 1.00 72.44 H new ATOM 0 HG23 VAL A 44 14.502 14.220 6.603 1.00 72.44 H new ATOM 701 N ASN A 45 16.366 13.617 3.930 1.00 2.31 N ATOM 702 CA ASN A 45 17.283 12.469 4.007 1.00 11.32 C ATOM 703 C ASN A 45 17.929 12.333 5.407 1.00 63.04 C ATOM 704 O ASN A 45 18.979 11.706 5.561 1.00 32.21 O ATOM 705 CB ASN A 45 18.362 12.610 2.920 1.00 31.35 C ATOM 706 CG ASN A 45 19.219 11.364 2.756 1.00 43.10 C ATOM 707 OD1 ASN A 45 18.774 10.247 2.999 1.00 43.41 O ATOM 708 ND2 ASN A 45 20.451 11.547 2.330 1.00 45.32 N ATOM 0 H ASN A 45 16.820 14.503 3.709 1.00 2.31 H new ATOM 0 HA ASN A 45 16.708 11.559 3.838 1.00 11.32 H new ATOM 0 HB2 ASN A 45 17.882 12.840 1.969 1.00 31.35 H new ATOM 0 HB3 ASN A 45 19.005 13.455 3.164 1.00 31.35 H new ATOM 0 HD21 ASN A 45 21.067 10.746 2.193 1.00 45.32 H new ATOM 0 HD22 ASN A 45 20.789 12.490 2.137 1.00 45.32 H new ATOM 715 N LYS A 46 17.293 12.911 6.427 1.00 22.21 N ATOM 716 CA LYS A 46 17.759 12.752 7.813 1.00 44.50 C ATOM 717 C LYS A 46 16.616 12.976 8.815 1.00 20.33 C ATOM 718 O LYS A 46 15.792 13.874 8.648 1.00 73.12 O ATOM 719 CB LYS A 46 18.934 13.699 8.134 1.00 64.14 C ATOM 720 CG LYS A 46 18.550 15.168 8.325 1.00 75.24 C ATOM 721 CD LYS A 46 18.164 15.851 7.015 1.00 24.43 C ATOM 722 CE LYS A 46 17.674 17.274 7.257 1.00 31.00 C ATOM 723 NZ LYS A 46 17.478 18.027 5.990 1.00 21.54 N ATOM 0 H LYS A 46 16.460 13.490 6.325 1.00 22.21 H new ATOM 0 HA LYS A 46 18.113 11.726 7.910 1.00 44.50 H new ATOM 0 HB2 LYS A 46 19.426 13.347 9.041 1.00 64.14 H new ATOM 0 HB3 LYS A 46 19.665 13.632 7.328 1.00 64.14 H new ATOM 0 HG2 LYS A 46 17.716 15.233 9.024 1.00 75.24 H new ATOM 0 HG3 LYS A 46 19.386 15.702 8.776 1.00 75.24 H new ATOM 0 HD2 LYS A 46 19.023 15.869 6.345 1.00 24.43 H new ATOM 0 HD3 LYS A 46 17.384 15.275 6.518 1.00 24.43 H new ATOM 0 HE2 LYS A 46 16.734 17.243 7.808 1.00 31.00 H new ATOM 0 HE3 LYS A 46 18.393 17.802 7.883 1.00 31.00 H new ATOM 0 HZ1 LYS A 46 17.463 19.047 6.191 1.00 21.54 H new ATOM 0 HZ2 LYS A 46 18.258 17.815 5.336 1.00 21.54 H new ATOM 0 HZ3 LYS A 46 16.576 17.746 5.555 1.00 21.54 H new ATOM 737 N ALA A 47 16.580 12.156 9.860 1.00 21.14 N ATOM 738 CA ALA A 47 15.533 12.235 10.883 1.00 35.55 C ATOM 739 C ALA A 47 15.796 13.363 11.896 1.00 51.33 C ATOM 740 O ALA A 47 14.861 13.957 12.439 1.00 74.15 O ATOM 741 CB ALA A 47 15.423 10.895 11.602 1.00 54.13 C ATOM 0 H ALA A 47 17.268 11.422 10.025 1.00 21.14 H new ATOM 0 HA ALA A 47 14.592 12.466 10.383 1.00 35.55 H new ATOM 0 HB1 ALA A 47 14.645 10.953 12.363 1.00 54.13 H new ATOM 0 HB2 ALA A 47 15.170 10.116 10.883 1.00 54.13 H new ATOM 0 HB3 ALA A 47 16.376 10.657 12.075 1.00 54.13 H new ATOM 747 N GLU A 48 17.075 13.674 12.120 1.00 51.44 N ATOM 748 CA GLU A 48 17.485 14.638 13.158 1.00 65.52 C ATOM 749 C GLU A 48 16.950 16.064 12.906 1.00 13.34 C ATOM 750 O GLU A 48 17.046 16.931 13.779 1.00 40.52 O ATOM 751 CB GLU A 48 19.020 14.633 13.295 1.00 31.23 C ATOM 752 CG GLU A 48 19.789 15.026 12.029 1.00 11.12 C ATOM 753 CD GLU A 48 20.150 16.506 11.982 1.00 25.44 C ATOM 754 OE1 GLU A 48 20.988 16.943 12.803 1.00 25.44 O ATOM 755 OE2 GLU A 48 19.610 17.237 11.130 1.00 34.03 O ATOM 0 H GLU A 48 17.853 13.272 11.596 1.00 51.44 H new ATOM 0 HA GLU A 48 17.036 14.316 14.098 1.00 65.52 H new ATOM 0 HB2 GLU A 48 19.299 15.316 14.097 1.00 31.23 H new ATOM 0 HB3 GLU A 48 19.338 13.636 13.600 1.00 31.23 H new ATOM 0 HG2 GLU A 48 20.702 14.434 11.967 1.00 11.12 H new ATOM 0 HG3 GLU A 48 19.188 14.777 11.154 1.00 11.12 H new ATOM 762 N LYS A 49 16.390 16.306 11.721 1.00 34.05 N ATOM 763 CA LYS A 49 15.738 17.587 11.423 1.00 43.15 C ATOM 764 C LYS A 49 14.467 17.371 10.584 1.00 32.14 C ATOM 765 O LYS A 49 14.439 17.623 9.374 1.00 71.34 O ATOM 766 CB LYS A 49 16.711 18.540 10.708 1.00 65.11 C ATOM 767 CG LYS A 49 16.233 19.988 10.667 1.00 43.33 C ATOM 768 CD LYS A 49 17.237 20.896 9.961 1.00 63.22 C ATOM 769 CE LYS A 49 16.860 22.368 10.095 1.00 41.14 C ATOM 770 NZ LYS A 49 16.910 22.829 11.511 1.00 71.14 N ATOM 0 H LYS A 49 16.373 15.636 10.952 1.00 34.05 H new ATOM 0 HA LYS A 49 15.445 18.047 12.367 1.00 43.15 H new ATOM 0 HB2 LYS A 49 17.678 18.500 11.209 1.00 65.11 H new ATOM 0 HB3 LYS A 49 16.866 18.189 9.688 1.00 65.11 H new ATOM 0 HG2 LYS A 49 15.273 20.040 10.154 1.00 43.33 H new ATOM 0 HG3 LYS A 49 16.071 20.346 11.684 1.00 43.33 H new ATOM 0 HD2 LYS A 49 18.230 20.735 10.380 1.00 63.22 H new ATOM 0 HD3 LYS A 49 17.290 20.629 8.906 1.00 63.22 H new ATOM 0 HE2 LYS A 49 17.538 22.972 9.493 1.00 41.14 H new ATOM 0 HE3 LYS A 49 15.857 22.523 9.698 1.00 41.14 H new ATOM 0 HZ1 LYS A 49 16.917 23.869 11.538 1.00 71.14 H new ATOM 0 HZ2 LYS A 49 16.075 22.475 12.021 1.00 71.14 H new ATOM 0 HZ3 LYS A 49 17.772 22.465 11.964 1.00 71.14 H new ATOM 784 N SER A 50 13.425 16.878 11.245 1.00 15.22 N ATOM 785 CA SER A 50 12.134 16.592 10.601 1.00 55.24 C ATOM 786 C SER A 50 10.991 16.723 11.614 1.00 44.50 C ATOM 787 O SER A 50 11.230 16.975 12.796 1.00 31.51 O ATOM 788 CB SER A 50 12.135 15.177 10.002 1.00 65.33 C ATOM 789 OG SER A 50 12.245 14.186 11.013 1.00 34.11 O ATOM 0 H SER A 50 13.445 16.663 12.242 1.00 15.22 H new ATOM 0 HA SER A 50 11.984 17.316 9.800 1.00 55.24 H new ATOM 0 HB2 SER A 50 11.218 15.020 9.435 1.00 65.33 H new ATOM 0 HB3 SER A 50 12.964 15.078 9.301 1.00 65.33 H new ATOM 0 HG SER A 50 13.140 14.223 11.411 1.00 34.11 H new ATOM 795 N GLU A 51 9.748 16.565 11.161 1.00 0.44 N ATOM 796 CA GLU A 51 8.589 16.674 12.063 1.00 63.50 C ATOM 797 C GLU A 51 8.017 15.291 12.432 1.00 73.22 C ATOM 798 O GLU A 51 7.424 15.125 13.503 1.00 62.33 O ATOM 799 CB GLU A 51 7.492 17.542 11.429 1.00 42.51 C ATOM 800 CG GLU A 51 7.957 18.936 11.000 1.00 52.25 C ATOM 801 CD GLU A 51 8.580 19.742 12.134 1.00 32.02 C ATOM 802 OE1 GLU A 51 7.838 20.189 13.034 1.00 44.23 O ATOM 803 OE2 GLU A 51 9.815 19.938 12.128 1.00 33.15 O ATOM 0 H GLU A 51 9.513 16.364 10.189 1.00 0.44 H new ATOM 0 HA GLU A 51 8.937 17.148 12.981 1.00 63.50 H new ATOM 0 HB2 GLU A 51 7.092 17.022 10.559 1.00 42.51 H new ATOM 0 HB3 GLU A 51 6.673 17.649 12.141 1.00 42.51 H new ATOM 0 HG2 GLU A 51 8.683 18.836 10.193 1.00 52.25 H new ATOM 0 HG3 GLU A 51 7.107 19.487 10.597 1.00 52.25 H new ATOM 810 N ALA A 52 8.193 14.306 11.547 1.00 75.13 N ATOM 811 CA ALA A 52 7.662 12.950 11.772 1.00 35.40 C ATOM 812 C ALA A 52 8.377 11.904 10.900 1.00 52.53 C ATOM 813 O ALA A 52 8.977 12.237 9.876 1.00 64.35 O ATOM 814 CB ALA A 52 6.161 12.922 11.496 1.00 0.20 C ATOM 0 H ALA A 52 8.698 14.417 10.668 1.00 75.13 H new ATOM 0 HA ALA A 52 7.845 12.693 12.815 1.00 35.40 H new ATOM 0 HB1 ALA A 52 5.779 11.915 11.665 1.00 0.20 H new ATOM 0 HB2 ALA A 52 5.655 13.619 12.164 1.00 0.20 H new ATOM 0 HB3 ALA A 52 5.976 13.211 10.462 1.00 0.20 H new ATOM 820 N ILE A 53 8.299 10.637 11.309 1.00 22.15 N ATOM 821 CA ILE A 53 8.931 9.529 10.572 1.00 55.41 C ATOM 822 C ILE A 53 7.903 8.464 10.158 1.00 41.54 C ATOM 823 O ILE A 53 7.153 7.949 10.989 1.00 23.22 O ATOM 824 CB ILE A 53 10.040 8.845 11.418 1.00 43.32 C ATOM 825 CG1 ILE A 53 11.204 9.816 11.672 1.00 32.04 C ATOM 826 CG2 ILE A 53 10.543 7.568 10.739 1.00 50.32 C ATOM 827 CD1 ILE A 53 12.342 9.212 12.468 1.00 52.44 C ATOM 0 H ILE A 53 7.802 10.346 12.151 1.00 22.15 H new ATOM 0 HA ILE A 53 9.374 9.968 9.678 1.00 55.41 H new ATOM 0 HB ILE A 53 9.606 8.567 12.378 1.00 43.32 H new ATOM 0 HG12 ILE A 53 11.589 10.166 10.714 1.00 32.04 H new ATOM 0 HG13 ILE A 53 10.826 10.690 12.202 1.00 32.04 H new ATOM 0 HG21 ILE A 53 11.318 7.110 11.353 1.00 50.32 H new ATOM 0 HG22 ILE A 53 9.715 6.869 10.620 1.00 50.32 H new ATOM 0 HG23 ILE A 53 10.954 7.814 9.760 1.00 50.32 H new ATOM 0 HD11 ILE A 53 13.125 9.957 12.606 1.00 52.44 H new ATOM 0 HD12 ILE A 53 11.973 8.888 13.441 1.00 52.44 H new ATOM 0 HD13 ILE A 53 12.748 8.355 11.930 1.00 52.44 H new ATOM 839 N ILE A 54 7.882 8.127 8.869 1.00 5.13 N ATOM 840 CA ILE A 54 7.019 7.058 8.365 1.00 2.44 C ATOM 841 C ILE A 54 7.826 5.759 8.204 1.00 11.41 C ATOM 842 O ILE A 54 8.679 5.648 7.317 1.00 64.23 O ATOM 843 CB ILE A 54 6.356 7.414 7.002 1.00 62.10 C ATOM 844 CG1 ILE A 54 5.492 8.690 7.107 1.00 23.44 C ATOM 845 CG2 ILE A 54 5.506 6.241 6.508 1.00 72.03 C ATOM 846 CD1 ILE A 54 6.284 9.975 7.241 1.00 73.45 C ATOM 0 H ILE A 54 8.453 8.579 8.154 1.00 5.13 H new ATOM 0 HA ILE A 54 6.224 6.926 9.099 1.00 2.44 H new ATOM 0 HB ILE A 54 7.153 7.609 6.284 1.00 62.10 H new ATOM 0 HG12 ILE A 54 4.859 8.759 6.222 1.00 23.44 H new ATOM 0 HG13 ILE A 54 4.829 8.595 7.967 1.00 23.44 H new ATOM 0 HG21 ILE A 54 5.047 6.501 5.554 1.00 72.03 H new ATOM 0 HG22 ILE A 54 6.138 5.362 6.379 1.00 72.03 H new ATOM 0 HG23 ILE A 54 4.727 6.023 7.238 1.00 72.03 H new ATOM 0 HD11 ILE A 54 5.598 10.820 7.309 1.00 73.45 H new ATOM 0 HD12 ILE A 54 6.897 9.932 8.141 1.00 73.45 H new ATOM 0 HD13 ILE A 54 6.927 10.099 6.370 1.00 73.45 H new ATOM 858 N GLN A 55 7.565 4.785 9.071 1.00 32.32 N ATOM 859 CA GLN A 55 8.286 3.508 9.044 1.00 14.44 C ATOM 860 C GLN A 55 7.367 2.374 8.577 1.00 41.11 C ATOM 861 O GLN A 55 6.426 1.993 9.273 1.00 33.40 O ATOM 862 CB GLN A 55 8.867 3.206 10.441 1.00 31.45 C ATOM 863 CG GLN A 55 9.797 1.988 10.505 1.00 34.44 C ATOM 864 CD GLN A 55 9.065 0.660 10.650 1.00 35.34 C ATOM 865 OE1 GLN A 55 8.008 0.581 11.265 1.00 24.33 O ATOM 866 NE2 GLN A 55 9.628 -0.395 10.097 1.00 22.24 N ATOM 0 H GLN A 55 6.859 4.852 9.804 1.00 32.32 H new ATOM 0 HA GLN A 55 9.108 3.583 8.332 1.00 14.44 H new ATOM 0 HB2 GLN A 55 9.415 4.082 10.787 1.00 31.45 H new ATOM 0 HB3 GLN A 55 8.042 3.051 11.136 1.00 31.45 H new ATOM 0 HG2 GLN A 55 10.405 1.960 9.601 1.00 34.44 H new ATOM 0 HG3 GLN A 55 10.480 2.109 11.345 1.00 34.44 H new ATOM 0 HE21 GLN A 55 10.508 -0.297 9.591 1.00 22.24 H new ATOM 0 HE22 GLN A 55 9.183 -1.310 10.174 1.00 22.24 H new ATOM 875 N ILE A 56 7.635 1.845 7.390 1.00 64.34 N ATOM 876 CA ILE A 56 6.852 0.729 6.852 1.00 24.11 C ATOM 877 C ILE A 56 7.412 -0.609 7.371 1.00 72.35 C ATOM 878 O ILE A 56 8.601 -0.893 7.235 1.00 12.30 O ATOM 879 CB ILE A 56 6.814 0.770 5.291 1.00 54.12 C ATOM 880 CG1 ILE A 56 5.830 -0.271 4.703 1.00 1.32 C ATOM 881 CG2 ILE A 56 8.212 0.591 4.696 1.00 74.32 C ATOM 882 CD1 ILE A 56 6.374 -1.687 4.593 1.00 72.42 C ATOM 0 H ILE A 56 8.386 2.167 6.779 1.00 64.34 H new ATOM 0 HA ILE A 56 5.823 0.824 7.200 1.00 24.11 H new ATOM 0 HB ILE A 56 6.447 1.758 5.012 1.00 54.12 H new ATOM 0 HG12 ILE A 56 4.934 -0.291 5.323 1.00 1.32 H new ATOM 0 HG13 ILE A 56 5.524 0.062 3.711 1.00 1.32 H new ATOM 0 HG21 ILE A 56 8.151 0.624 3.608 1.00 74.32 H new ATOM 0 HG22 ILE A 56 8.862 1.392 5.048 1.00 74.32 H new ATOM 0 HG23 ILE A 56 8.620 -0.371 5.007 1.00 74.32 H new ATOM 0 HD11 ILE A 56 5.609 -2.339 4.170 1.00 72.42 H new ATOM 0 HD12 ILE A 56 7.251 -1.690 3.946 1.00 72.42 H new ATOM 0 HD13 ILE A 56 6.652 -2.048 5.583 1.00 72.42 H new ATOM 894 N VAL A 57 6.552 -1.418 7.987 1.00 75.25 N ATOM 895 CA VAL A 57 6.977 -2.690 8.579 1.00 13.04 C ATOM 896 C VAL A 57 7.042 -3.811 7.528 1.00 54.22 C ATOM 897 O VAL A 57 8.118 -4.327 7.224 1.00 1.20 O ATOM 898 CB VAL A 57 6.036 -3.113 9.739 1.00 0.24 C ATOM 899 CG1 VAL A 57 6.518 -4.408 10.392 1.00 61.04 C ATOM 900 CG2 VAL A 57 5.924 -1.990 10.770 1.00 20.12 C ATOM 0 H VAL A 57 5.557 -1.218 8.090 1.00 75.25 H new ATOM 0 HA VAL A 57 7.979 -2.533 8.978 1.00 13.04 H new ATOM 0 HB VAL A 57 5.045 -3.300 9.325 1.00 0.24 H new ATOM 0 HG11 VAL A 57 5.841 -4.681 11.201 1.00 61.04 H new ATOM 0 HG12 VAL A 57 6.536 -5.205 9.649 1.00 61.04 H new ATOM 0 HG13 VAL A 57 7.521 -4.262 10.792 1.00 61.04 H new ATOM 0 HG21 VAL A 57 5.261 -2.302 11.577 1.00 20.12 H new ATOM 0 HG22 VAL A 57 6.911 -1.769 11.176 1.00 20.12 H new ATOM 0 HG23 VAL A 57 5.520 -1.097 10.293 1.00 20.12 H new ATOM 910 N HIS A 58 5.889 -4.186 6.972 1.00 32.51 N ATOM 911 CA HIS A 58 5.827 -5.246 5.951 1.00 51.34 C ATOM 912 C HIS A 58 4.651 -5.046 4.981 1.00 11.21 C ATOM 913 O HIS A 58 3.580 -4.571 5.364 1.00 44.24 O ATOM 914 CB HIS A 58 5.721 -6.635 6.607 1.00 52.44 C ATOM 915 CG HIS A 58 7.016 -7.163 7.154 1.00 15.34 C ATOM 916 ND1 HIS A 58 7.533 -7.132 8.406 1.00 54.51 N flip ATOM 917 CD2 HIS A 58 7.948 -7.821 6.382 1.00 61.00 C flip ATOM 918 CE1 HIS A 58 8.753 -7.760 8.362 1.00 25.22 C flip ATOM 919 NE2 HIS A 58 8.975 -8.167 7.130 1.00 53.41 N flip ATOM 0 H HIS A 58 4.985 -3.776 7.207 1.00 32.51 H new ATOM 0 HA HIS A 58 6.753 -5.185 5.380 1.00 51.34 H new ATOM 0 HB2 HIS A 58 4.992 -6.587 7.416 1.00 52.44 H new ATOM 0 HB3 HIS A 58 5.336 -7.342 5.872 1.00 52.44 H new ATOM 0 HD2 HIS A 58 7.851 -8.022 5.325 1.00 61.00 H new ATOM 0 HE1 HIS A 58 9.420 -7.897 9.200 1.00 25.22 H new ATOM 0 HE2 HIS A 58 9.804 -8.667 6.809 1.00 53.41 H new ATOM 928 N ALA A 59 4.874 -5.414 3.721 1.00 3.45 N ATOM 929 CA ALA A 59 3.826 -5.406 2.693 1.00 1.41 C ATOM 930 C ALA A 59 3.554 -6.841 2.205 1.00 14.44 C ATOM 931 O ALA A 59 4.394 -7.446 1.532 1.00 43.51 O ATOM 932 CB ALA A 59 4.236 -4.506 1.531 1.00 0.51 C ATOM 0 H ALA A 59 5.783 -5.726 3.381 1.00 3.45 H new ATOM 0 HA ALA A 59 2.907 -5.010 3.124 1.00 1.41 H new ATOM 0 HB1 ALA A 59 3.451 -4.508 0.775 1.00 0.51 H new ATOM 0 HB2 ALA A 59 4.388 -3.489 1.894 1.00 0.51 H new ATOM 0 HB3 ALA A 59 5.163 -4.877 1.093 1.00 0.51 H new ATOM 938 N ILE A 60 2.395 -7.391 2.568 1.00 72.42 N ATOM 939 CA ILE A 60 2.077 -8.798 2.280 1.00 43.53 C ATOM 940 C ILE A 60 0.920 -8.925 1.278 1.00 53.35 C ATOM 941 O ILE A 60 -0.136 -8.332 1.469 1.00 73.51 O ATOM 942 CB ILE A 60 1.675 -9.574 3.571 1.00 34.15 C ATOM 943 CG1 ILE A 60 2.756 -9.457 4.666 1.00 65.22 C ATOM 944 CG2 ILE A 60 1.396 -11.044 3.254 1.00 32.10 C ATOM 945 CD1 ILE A 60 2.733 -8.145 5.428 1.00 72.40 C ATOM 0 H ILE A 60 1.658 -6.887 3.062 1.00 72.42 H new ATOM 0 HA ILE A 60 2.985 -9.227 1.856 1.00 43.53 H new ATOM 0 HB ILE A 60 0.762 -9.118 3.954 1.00 34.15 H new ATOM 0 HG12 ILE A 60 2.630 -10.277 5.373 1.00 65.22 H new ATOM 0 HG13 ILE A 60 3.737 -9.580 4.207 1.00 65.22 H new ATOM 0 HG21 ILE A 60 1.117 -11.567 4.169 1.00 32.10 H new ATOM 0 HG22 ILE A 60 0.580 -11.113 2.534 1.00 32.10 H new ATOM 0 HG23 ILE A 60 2.291 -11.502 2.833 1.00 32.10 H new ATOM 0 HD11 ILE A 60 3.524 -8.146 6.178 1.00 72.40 H new ATOM 0 HD12 ILE A 60 2.891 -7.319 4.735 1.00 72.40 H new ATOM 0 HD13 ILE A 60 1.767 -8.027 5.920 1.00 72.40 H new ATOM 957 N ARG A 61 1.114 -9.703 0.216 1.00 31.15 N ATOM 958 CA ARG A 61 0.018 -10.009 -0.715 1.00 3.23 C ATOM 959 C ARG A 61 -0.277 -11.519 -0.758 1.00 33.52 C ATOM 960 O ARG A 61 0.581 -12.329 -1.116 1.00 51.01 O ATOM 961 CB ARG A 61 0.310 -9.469 -2.127 1.00 65.02 C ATOM 962 CG ARG A 61 1.647 -9.897 -2.729 1.00 74.33 C ATOM 963 CD ARG A 61 1.743 -9.485 -4.197 1.00 54.53 C ATOM 964 NE ARG A 61 3.060 -9.753 -4.775 1.00 64.44 N ATOM 965 CZ ARG A 61 3.253 -10.323 -5.937 1.00 73.24 C ATOM 966 NH1 ARG A 61 2.257 -10.795 -6.618 1.00 23.02 N ATOM 967 NH2 ARG A 61 4.448 -10.438 -6.408 1.00 32.23 N ATOM 0 H ARG A 61 2.008 -10.132 -0.025 1.00 31.15 H new ATOM 0 HA ARG A 61 -0.872 -9.503 -0.342 1.00 3.23 H new ATOM 0 HB2 ARG A 61 -0.489 -9.792 -2.794 1.00 65.02 H new ATOM 0 HB3 ARG A 61 0.277 -8.380 -2.095 1.00 65.02 H new ATOM 0 HG2 ARG A 61 2.464 -9.446 -2.167 1.00 74.33 H new ATOM 0 HG3 ARG A 61 1.759 -10.978 -2.643 1.00 74.33 H new ATOM 0 HD2 ARG A 61 0.984 -10.018 -4.770 1.00 54.53 H new ATOM 0 HD3 ARG A 61 1.521 -8.422 -4.287 1.00 54.53 H new ATOM 0 HE ARG A 61 3.882 -9.477 -4.237 1.00 64.44 H new ATOM 0 HH11 ARG A 61 1.308 -10.725 -6.250 1.00 23.02 H new ATOM 0 HH12 ARG A 61 2.421 -11.237 -7.522 1.00 23.02 H new ATOM 0 HH21 ARG A 61 5.243 -10.085 -5.875 1.00 32.23 H new ATOM 0 HH22 ARG A 61 4.599 -10.882 -7.314 1.00 32.23 H new ATOM 981 N GLU A 62 -1.497 -11.886 -0.368 1.00 21.10 N ATOM 982 CA GLU A 62 -1.935 -13.288 -0.370 1.00 44.55 C ATOM 983 C GLU A 62 -2.791 -13.597 -1.607 1.00 75.10 C ATOM 984 O GLU A 62 -3.704 -12.843 -1.947 1.00 45.33 O ATOM 985 CB GLU A 62 -2.752 -13.593 0.891 1.00 41.14 C ATOM 986 CG GLU A 62 -1.997 -13.399 2.200 1.00 52.24 C ATOM 987 CD GLU A 62 -2.917 -13.487 3.407 1.00 74.33 C ATOM 988 OE1 GLU A 62 -3.382 -14.599 3.735 1.00 72.45 O ATOM 989 OE2 GLU A 62 -3.199 -12.442 4.029 1.00 72.13 O ATOM 0 H GLU A 62 -2.207 -11.229 -0.044 1.00 21.10 H new ATOM 0 HA GLU A 62 -1.042 -13.913 -0.391 1.00 44.55 H new ATOM 0 HB2 GLU A 62 -3.635 -12.954 0.899 1.00 41.14 H new ATOM 0 HB3 GLU A 62 -3.104 -14.623 0.839 1.00 41.14 H new ATOM 0 HG2 GLU A 62 -1.216 -14.155 2.284 1.00 52.24 H new ATOM 0 HG3 GLU A 62 -1.501 -12.428 2.192 1.00 52.24 H new ATOM 996 N LYS A 63 -2.496 -14.710 -2.273 1.00 63.15 N ATOM 997 CA LYS A 63 -3.269 -15.145 -3.441 1.00 61.12 C ATOM 998 C LYS A 63 -4.169 -16.342 -3.088 1.00 21.14 C ATOM 999 O LYS A 63 -3.699 -17.479 -2.968 1.00 13.22 O ATOM 1000 CB LYS A 63 -2.319 -15.500 -4.594 1.00 31.52 C ATOM 1001 CG LYS A 63 -1.382 -14.357 -4.982 1.00 50.11 C ATOM 1002 CD LYS A 63 -0.544 -14.684 -6.215 1.00 31.31 C ATOM 1003 CE LYS A 63 -1.405 -14.831 -7.464 1.00 12.41 C ATOM 1004 NZ LYS A 63 -0.583 -15.043 -8.683 1.00 62.53 N ATOM 0 H LYS A 63 -1.726 -15.331 -2.026 1.00 63.15 H new ATOM 0 HA LYS A 63 -3.914 -14.325 -3.757 1.00 61.12 H new ATOM 0 HB2 LYS A 63 -1.723 -16.368 -4.310 1.00 31.52 H new ATOM 0 HB3 LYS A 63 -2.908 -15.789 -5.465 1.00 31.52 H new ATOM 0 HG2 LYS A 63 -1.969 -13.459 -5.173 1.00 50.11 H new ATOM 0 HG3 LYS A 63 -0.720 -14.133 -4.145 1.00 50.11 H new ATOM 0 HD2 LYS A 63 0.193 -13.896 -6.373 1.00 31.31 H new ATOM 0 HD3 LYS A 63 0.009 -15.608 -6.044 1.00 31.31 H new ATOM 0 HE2 LYS A 63 -2.088 -15.671 -7.337 1.00 12.41 H new ATOM 0 HE3 LYS A 63 -2.017 -13.938 -7.590 1.00 12.41 H new ATOM 0 HZ1 LYS A 63 -1.180 -14.936 -9.528 1.00 62.53 H new ATOM 0 HZ2 LYS A 63 0.185 -14.342 -8.710 1.00 62.53 H new ATOM 0 HZ3 LYS A 63 -0.177 -16.000 -8.666 1.00 62.53 H new ATOM 1018 N ARG A 64 -5.462 -16.076 -2.904 1.00 62.12 N ATOM 1019 CA ARG A 64 -6.421 -17.103 -2.465 1.00 65.34 C ATOM 1020 C ARG A 64 -7.525 -17.350 -3.505 1.00 73.25 C ATOM 1021 O ARG A 64 -7.678 -16.599 -4.466 1.00 61.13 O ATOM 1022 CB ARG A 64 -7.113 -16.665 -1.167 1.00 31.03 C ATOM 1023 CG ARG A 64 -6.194 -16.161 -0.058 1.00 63.14 C ATOM 1024 CD ARG A 64 -7.028 -15.664 1.115 1.00 63.12 C ATOM 1025 NE ARG A 64 -6.243 -15.012 2.158 1.00 43.31 N ATOM 1026 CZ ARG A 64 -6.698 -14.025 2.880 1.00 41.44 C ATOM 1027 NH1 ARG A 64 -7.861 -13.515 2.626 1.00 54.22 N ATOM 1028 NH2 ARG A 64 -5.983 -13.526 3.832 1.00 1.54 N ATOM 0 H ARG A 64 -5.876 -15.155 -3.052 1.00 62.12 H new ATOM 0 HA ARG A 64 -5.845 -18.017 -2.321 1.00 65.34 H new ATOM 0 HB2 ARG A 64 -7.827 -15.877 -1.407 1.00 31.03 H new ATOM 0 HB3 ARG A 64 -7.687 -17.508 -0.782 1.00 31.03 H new ATOM 0 HG2 ARG A 64 -5.530 -16.961 0.269 1.00 63.14 H new ATOM 0 HG3 ARG A 64 -5.562 -15.356 -0.434 1.00 63.14 H new ATOM 0 HD2 ARG A 64 -7.778 -14.964 0.746 1.00 63.12 H new ATOM 0 HD3 ARG A 64 -7.565 -16.507 1.550 1.00 63.12 H new ATOM 0 HE ARG A 64 -5.294 -15.343 2.331 1.00 43.31 H new ATOM 0 HH11 ARG A 64 -8.424 -13.885 1.860 1.00 54.22 H new ATOM 0 HH12 ARG A 64 -8.214 -12.743 3.192 1.00 54.22 H new ATOM 0 HH21 ARG A 64 -5.055 -13.903 4.024 1.00 1.54 H new ATOM 0 HH22 ARG A 64 -6.346 -12.754 4.392 1.00 1.54 H new ATOM 1042 N ILE A 65 -8.308 -18.402 -3.283 1.00 43.54 N ATOM 1043 CA ILE A 65 -9.562 -18.613 -4.015 1.00 62.22 C ATOM 1044 C ILE A 65 -10.734 -17.943 -3.276 1.00 23.34 C ATOM 1045 O ILE A 65 -10.849 -18.046 -2.055 1.00 71.11 O ATOM 1046 CB ILE A 65 -9.855 -20.130 -4.210 1.00 53.14 C ATOM 1047 CG1 ILE A 65 -9.147 -20.658 -5.468 1.00 23.30 C ATOM 1048 CG2 ILE A 65 -11.357 -20.406 -4.287 1.00 50.51 C ATOM 1049 CD1 ILE A 65 -9.678 -20.061 -6.760 1.00 52.13 C ATOM 0 H ILE A 65 -8.098 -19.128 -2.598 1.00 43.54 H new ATOM 0 HA ILE A 65 -9.452 -18.158 -4.999 1.00 62.22 H new ATOM 0 HB ILE A 65 -9.465 -20.657 -3.339 1.00 53.14 H new ATOM 0 HG12 ILE A 65 -8.081 -20.446 -5.391 1.00 23.30 H new ATOM 0 HG13 ILE A 65 -9.254 -21.742 -5.507 1.00 23.30 H new ATOM 0 HG21 ILE A 65 -11.524 -21.474 -4.423 1.00 50.51 H new ATOM 0 HG22 ILE A 65 -11.835 -20.079 -3.364 1.00 50.51 H new ATOM 0 HG23 ILE A 65 -11.784 -19.862 -5.129 1.00 50.51 H new ATOM 0 HD11 ILE A 65 -9.132 -20.479 -7.606 1.00 52.13 H new ATOM 0 HD12 ILE A 65 -10.738 -20.295 -6.861 1.00 52.13 H new ATOM 0 HD13 ILE A 65 -9.546 -18.979 -6.742 1.00 52.13 H new ATOM 1061 N LEU A 66 -11.589 -17.245 -4.019 1.00 22.23 N ATOM 1062 CA LEU A 66 -12.766 -16.589 -3.435 1.00 73.14 C ATOM 1063 C LEU A 66 -14.004 -17.502 -3.492 1.00 42.14 C ATOM 1064 O LEU A 66 -14.814 -17.525 -2.567 1.00 43.13 O ATOM 1065 CB LEU A 66 -13.057 -15.272 -4.165 1.00 2.11 C ATOM 1066 CG LEU A 66 -14.200 -14.431 -3.572 1.00 71.34 C ATOM 1067 CD1 LEU A 66 -13.851 -13.956 -2.163 1.00 64.33 C ATOM 1068 CD2 LEU A 66 -14.527 -13.247 -4.479 1.00 33.53 C ATOM 0 H LEU A 66 -11.493 -17.116 -5.026 1.00 22.23 H new ATOM 0 HA LEU A 66 -12.545 -16.381 -2.388 1.00 73.14 H new ATOM 0 HB2 LEU A 66 -12.149 -14.669 -4.169 1.00 2.11 H new ATOM 0 HB3 LEU A 66 -13.295 -15.497 -5.205 1.00 2.11 H new ATOM 0 HG LEU A 66 -15.086 -15.062 -3.505 1.00 71.34 H new ATOM 0 HD11 LEU A 66 -14.674 -13.363 -1.764 1.00 64.33 H new ATOM 0 HD12 LEU A 66 -13.681 -14.819 -1.520 1.00 64.33 H new ATOM 0 HD13 LEU A 66 -12.948 -13.346 -2.198 1.00 64.33 H new ATOM 0 HD21 LEU A 66 -15.338 -12.666 -4.040 1.00 33.53 H new ATOM 0 HD22 LEU A 66 -13.645 -12.616 -4.586 1.00 33.53 H new ATOM 0 HD23 LEU A 66 -14.832 -13.613 -5.459 1.00 33.53 H new ATOM 1080 N SER A 67 -14.148 -18.248 -4.587 1.00 41.20 N ATOM 1081 CA SER A 67 -15.299 -19.152 -4.763 1.00 25.24 C ATOM 1082 C SER A 67 -14.991 -20.296 -5.740 1.00 51.41 C ATOM 1083 O SER A 67 -14.355 -20.090 -6.777 1.00 2.54 O ATOM 1084 CB SER A 67 -16.524 -18.374 -5.264 1.00 40.23 C ATOM 1085 OG SER A 67 -17.592 -19.251 -5.591 1.00 32.53 O ATOM 0 H SER A 67 -13.489 -18.249 -5.366 1.00 41.20 H new ATOM 0 HA SER A 67 -15.512 -19.586 -3.786 1.00 25.24 H new ATOM 0 HB2 SER A 67 -16.849 -17.671 -4.498 1.00 40.23 H new ATOM 0 HB3 SER A 67 -16.251 -17.787 -6.141 1.00 40.23 H new ATOM 0 HG SER A 67 -18.371 -19.039 -5.035 1.00 32.53 H new ATOM 1091 N LEU A 68 -15.443 -21.503 -5.394 1.00 13.43 N ATOM 1092 CA LEU A 68 -15.327 -22.675 -6.278 1.00 34.24 C ATOM 1093 C LEU A 68 -16.710 -23.244 -6.625 1.00 21.22 C ATOM 1094 O LEU A 68 -17.623 -23.235 -5.795 1.00 1.10 O ATOM 1095 CB LEU A 68 -14.478 -23.776 -5.618 1.00 61.24 C ATOM 1096 CG LEU A 68 -12.997 -23.431 -5.394 1.00 4.23 C ATOM 1097 CD1 LEU A 68 -12.274 -24.581 -4.696 1.00 22.34 C ATOM 1098 CD2 LEU A 68 -12.309 -23.090 -6.715 1.00 53.12 C ATOM 0 H LEU A 68 -15.897 -21.700 -4.502 1.00 13.43 H new ATOM 0 HA LEU A 68 -14.839 -22.344 -7.194 1.00 34.24 H new ATOM 0 HB2 LEU A 68 -14.924 -24.025 -4.655 1.00 61.24 H new ATOM 0 HB3 LEU A 68 -14.534 -24.672 -6.236 1.00 61.24 H new ATOM 0 HG LEU A 68 -12.951 -22.553 -4.750 1.00 4.23 H new ATOM 0 HD11 LEU A 68 -11.227 -24.316 -4.547 1.00 22.34 H new ATOM 0 HD12 LEU A 68 -12.741 -24.771 -3.730 1.00 22.34 H new ATOM 0 HD13 LEU A 68 -12.337 -25.478 -5.312 1.00 22.34 H new ATOM 0 HD21 LEU A 68 -11.262 -22.850 -6.529 1.00 53.12 H new ATOM 0 HD22 LEU A 68 -12.371 -23.945 -7.389 1.00 53.12 H new ATOM 0 HD23 LEU A 68 -12.803 -22.232 -7.171 1.00 53.12 H new ATOM 1110 N SER A 69 -16.863 -23.730 -7.854 1.00 22.21 N ATOM 1111 CA SER A 69 -18.102 -24.403 -8.276 1.00 74.44 C ATOM 1112 C SER A 69 -17.951 -25.926 -8.166 1.00 51.33 C ATOM 1113 O SER A 69 -16.906 -26.423 -7.739 1.00 2.11 O ATOM 1114 CB SER A 69 -18.475 -24.015 -9.718 1.00 52.12 C ATOM 1115 OG SER A 69 -17.463 -24.392 -10.639 1.00 62.44 O ATOM 0 H SER A 69 -16.148 -23.674 -8.580 1.00 22.21 H new ATOM 0 HA SER A 69 -18.903 -24.078 -7.612 1.00 74.44 H new ATOM 0 HB2 SER A 69 -19.415 -24.494 -9.993 1.00 52.12 H new ATOM 0 HB3 SER A 69 -18.637 -22.939 -9.775 1.00 52.12 H new ATOM 0 HG SER A 69 -17.835 -25.016 -11.296 1.00 62.44 H new ATOM 1121 N GLU A 70 -18.990 -26.663 -8.566 1.00 52.20 N ATOM 1122 CA GLU A 70 -18.994 -28.133 -8.458 1.00 40.11 C ATOM 1123 C GLU A 70 -17.725 -28.764 -9.061 1.00 50.43 C ATOM 1124 O GLU A 70 -17.259 -28.353 -10.128 1.00 74.20 O ATOM 1125 CB GLU A 70 -20.241 -28.707 -9.144 1.00 72.43 C ATOM 1126 CG GLU A 70 -21.559 -28.204 -8.558 1.00 64.51 C ATOM 1127 CD GLU A 70 -21.715 -28.531 -7.080 1.00 41.45 C ATOM 1128 OE1 GLU A 70 -22.007 -29.703 -6.752 1.00 5.13 O ATOM 1129 OE2 GLU A 70 -21.545 -27.621 -6.237 1.00 0.44 O ATOM 0 H GLU A 70 -19.841 -26.271 -8.968 1.00 52.20 H new ATOM 0 HA GLU A 70 -19.010 -28.382 -7.397 1.00 40.11 H new ATOM 0 HB2 GLU A 70 -20.208 -28.457 -10.204 1.00 72.43 H new ATOM 0 HB3 GLU A 70 -20.215 -29.794 -9.072 1.00 72.43 H new ATOM 0 HG2 GLU A 70 -21.623 -27.124 -8.694 1.00 64.51 H new ATOM 0 HG3 GLU A 70 -22.388 -28.645 -9.112 1.00 64.51 H new ATOM 1136 N SER A 71 -17.178 -29.760 -8.358 1.00 24.52 N ATOM 1137 CA SER A 71 -15.939 -30.450 -8.765 1.00 1.33 C ATOM 1138 C SER A 71 -14.707 -29.539 -8.635 1.00 41.12 C ATOM 1139 O SER A 71 -13.694 -29.745 -9.305 1.00 25.42 O ATOM 1140 CB SER A 71 -16.052 -31.005 -10.197 1.00 23.04 C ATOM 1141 OG SER A 71 -17.099 -31.965 -10.300 1.00 32.14 O ATOM 0 H SER A 71 -17.578 -30.115 -7.489 1.00 24.52 H new ATOM 0 HA SER A 71 -15.805 -31.289 -8.082 1.00 1.33 H new ATOM 0 HB2 SER A 71 -16.237 -30.187 -10.893 1.00 23.04 H new ATOM 0 HB3 SER A 71 -15.106 -31.463 -10.487 1.00 23.04 H new ATOM 0 HG SER A 71 -17.148 -32.298 -11.220 1.00 32.14 H new ATOM 1147 N GLY A 72 -14.800 -28.535 -7.765 1.00 24.43 N ATOM 1148 CA GLY A 72 -13.657 -27.674 -7.465 1.00 53.12 C ATOM 1149 C GLY A 72 -13.229 -26.773 -8.621 1.00 40.22 C ATOM 1150 O GLY A 72 -12.068 -26.357 -8.695 1.00 1.13 O ATOM 0 H GLY A 72 -15.652 -28.298 -7.257 1.00 24.43 H new ATOM 0 HA2 GLY A 72 -13.902 -27.050 -6.605 1.00 53.12 H new ATOM 0 HA3 GLY A 72 -12.812 -28.299 -7.175 1.00 53.12 H new ATOM 1154 N ARG A 73 -14.161 -26.453 -9.518 1.00 11.53 N ATOM 1155 CA ARG A 73 -13.861 -25.586 -10.665 1.00 71.12 C ATOM 1156 C ARG A 73 -13.679 -24.122 -10.231 1.00 45.55 C ATOM 1157 O ARG A 73 -14.548 -23.540 -9.579 1.00 14.14 O ATOM 1158 CB ARG A 73 -14.963 -25.698 -11.734 1.00 5.42 C ATOM 1159 CG ARG A 73 -14.727 -26.802 -12.766 1.00 41.24 C ATOM 1160 CD ARG A 73 -14.489 -28.164 -12.122 1.00 2.31 C ATOM 1161 NE ARG A 73 -14.184 -29.189 -13.115 1.00 21.32 N ATOM 1162 CZ ARG A 73 -13.444 -30.241 -12.889 1.00 63.40 C ATOM 1163 NH1 ARG A 73 -12.931 -30.456 -11.720 1.00 63.35 N ATOM 1164 NH2 ARG A 73 -13.216 -31.084 -13.841 1.00 72.02 N ATOM 0 H ARG A 73 -15.127 -26.778 -9.476 1.00 11.53 H new ATOM 0 HA ARG A 73 -12.920 -25.925 -11.098 1.00 71.12 H new ATOM 0 HB2 ARG A 73 -15.917 -25.878 -11.238 1.00 5.42 H new ATOM 0 HB3 ARG A 73 -15.048 -24.743 -12.253 1.00 5.42 H new ATOM 0 HG2 ARG A 73 -15.589 -26.864 -13.430 1.00 41.24 H new ATOM 0 HG3 ARG A 73 -13.867 -26.540 -13.383 1.00 41.24 H new ATOM 0 HD2 ARG A 73 -13.666 -28.091 -11.411 1.00 2.31 H new ATOM 0 HD3 ARG A 73 -15.373 -28.458 -11.557 1.00 2.31 H new ATOM 0 HE ARG A 73 -14.576 -29.076 -14.050 1.00 21.32 H new ATOM 0 HH11 ARG A 73 -13.103 -29.799 -10.959 1.00 63.35 H new ATOM 0 HH12 ARG A 73 -12.355 -31.283 -11.560 1.00 63.35 H new ATOM 0 HH21 ARG A 73 -13.614 -30.927 -14.767 1.00 72.02 H new ATOM 0 HH22 ARG A 73 -12.638 -31.906 -13.667 1.00 72.02 H new ATOM 1178 N VAL A 74 -12.540 -23.539 -10.605 1.00 31.14 N ATOM 1179 CA VAL A 74 -12.198 -22.163 -10.230 1.00 14.24 C ATOM 1180 C VAL A 74 -13.215 -21.144 -10.776 1.00 50.01 C ATOM 1181 O VAL A 74 -13.720 -21.281 -11.891 1.00 33.54 O ATOM 1182 CB VAL A 74 -10.776 -21.792 -10.732 1.00 13.53 C ATOM 1183 CG1 VAL A 74 -10.389 -20.377 -10.299 1.00 0.53 C ATOM 1184 CG2 VAL A 74 -9.750 -22.813 -10.238 1.00 34.21 C ATOM 0 H VAL A 74 -11.831 -24.002 -11.173 1.00 31.14 H new ATOM 0 HA VAL A 74 -12.224 -22.119 -9.141 1.00 14.24 H new ATOM 0 HB VAL A 74 -10.786 -21.814 -11.822 1.00 13.53 H new ATOM 0 HG11 VAL A 74 -9.389 -20.145 -10.665 1.00 0.53 H new ATOM 0 HG12 VAL A 74 -11.101 -19.663 -10.712 1.00 0.53 H new ATOM 0 HG13 VAL A 74 -10.401 -20.313 -9.211 1.00 0.53 H new ATOM 0 HG21 VAL A 74 -8.759 -22.537 -10.599 1.00 34.21 H new ATOM 0 HG22 VAL A 74 -9.748 -22.828 -9.148 1.00 34.21 H new ATOM 0 HG23 VAL A 74 -10.011 -23.802 -10.614 1.00 34.21 H new ATOM 1194 N ARG A 75 -13.521 -20.129 -9.967 1.00 2.03 N ATOM 1195 CA ARG A 75 -14.447 -19.061 -10.363 1.00 72.24 C ATOM 1196 C ARG A 75 -13.803 -17.679 -10.178 1.00 21.41 C ATOM 1197 O ARG A 75 -13.324 -17.063 -11.133 1.00 61.45 O ATOM 1198 CB ARG A 75 -15.731 -19.142 -9.528 1.00 61.54 C ATOM 1199 CG ARG A 75 -16.464 -20.472 -9.635 1.00 21.04 C ATOM 1200 CD ARG A 75 -17.772 -20.451 -8.851 1.00 13.01 C ATOM 1201 NE ARG A 75 -18.729 -19.497 -9.408 1.00 55.33 N ATOM 1202 CZ ARG A 75 -19.532 -18.756 -8.695 1.00 2.45 C ATOM 1203 NH1 ARG A 75 -19.454 -18.748 -7.402 1.00 63.21 N ATOM 1204 NH2 ARG A 75 -20.401 -17.998 -9.284 1.00 41.22 N ATOM 0 H ARG A 75 -13.140 -20.022 -9.027 1.00 2.03 H new ATOM 0 HA ARG A 75 -14.687 -19.196 -11.418 1.00 72.24 H new ATOM 0 HB2 ARG A 75 -15.483 -18.960 -8.482 1.00 61.54 H new ATOM 0 HB3 ARG A 75 -16.404 -18.343 -9.839 1.00 61.54 H new ATOM 0 HG2 ARG A 75 -16.669 -20.693 -10.682 1.00 21.04 H new ATOM 0 HG3 ARG A 75 -15.826 -21.272 -9.260 1.00 21.04 H new ATOM 0 HD2 ARG A 75 -18.212 -21.448 -8.853 1.00 13.01 H new ATOM 0 HD3 ARG A 75 -17.568 -20.194 -7.812 1.00 13.01 H new ATOM 0 HE ARG A 75 -18.772 -19.404 -10.423 1.00 55.33 H new ATOM 0 HH11 ARG A 75 -18.759 -19.326 -6.929 1.00 63.21 H new ATOM 0 HH12 ARG A 75 -20.088 -18.164 -6.856 1.00 63.21 H new ATOM 0 HH21 ARG A 75 -20.456 -17.981 -10.302 1.00 41.22 H new ATOM 0 HH22 ARG A 75 -21.030 -17.417 -8.730 1.00 41.22 H new ATOM 1218 N GLU A 76 -13.793 -17.209 -8.930 1.00 45.34 N ATOM 1219 CA GLU A 76 -13.195 -15.919 -8.577 1.00 32.31 C ATOM 1220 C GLU A 76 -11.969 -16.132 -7.675 1.00 65.52 C ATOM 1221 O GLU A 76 -11.999 -16.950 -6.750 1.00 44.12 O ATOM 1222 CB GLU A 76 -14.229 -15.035 -7.859 1.00 10.12 C ATOM 1223 CG GLU A 76 -15.521 -14.802 -8.643 1.00 53.02 C ATOM 1224 CD GLU A 76 -15.315 -14.020 -9.934 1.00 44.11 C ATOM 1225 OE1 GLU A 76 -15.320 -12.769 -9.889 1.00 62.32 O ATOM 1226 OE2 GLU A 76 -15.171 -14.647 -11.001 1.00 72.04 O ATOM 0 H GLU A 76 -14.197 -17.709 -8.138 1.00 45.34 H new ATOM 0 HA GLU A 76 -12.877 -15.419 -9.492 1.00 32.31 H new ATOM 0 HB2 GLU A 76 -14.478 -15.494 -6.902 1.00 10.12 H new ATOM 0 HB3 GLU A 76 -13.773 -14.069 -7.641 1.00 10.12 H new ATOM 0 HG2 GLU A 76 -15.972 -15.766 -8.879 1.00 53.02 H new ATOM 0 HG3 GLU A 76 -16.228 -14.265 -8.011 1.00 53.02 H new ATOM 1233 N PHE A 77 -10.901 -15.390 -7.942 1.00 14.34 N ATOM 1234 CA PHE A 77 -9.643 -15.518 -7.195 1.00 23.32 C ATOM 1235 C PHE A 77 -9.395 -14.256 -6.340 1.00 42.42 C ATOM 1236 O PHE A 77 -9.386 -13.141 -6.859 1.00 4.33 O ATOM 1237 CB PHE A 77 -8.496 -15.742 -8.196 1.00 53.55 C ATOM 1238 CG PHE A 77 -7.239 -16.313 -7.597 1.00 21.24 C ATOM 1239 CD1 PHE A 77 -7.102 -17.683 -7.424 1.00 53.03 C ATOM 1240 CD2 PHE A 77 -6.190 -15.489 -7.224 1.00 55.00 C ATOM 1241 CE1 PHE A 77 -5.949 -18.217 -6.889 1.00 72.41 C ATOM 1242 CE2 PHE A 77 -5.035 -16.019 -6.688 1.00 51.23 C ATOM 1243 CZ PHE A 77 -4.912 -17.385 -6.519 1.00 4.21 C ATOM 0 H PHE A 77 -10.876 -14.684 -8.678 1.00 14.34 H new ATOM 0 HA PHE A 77 -9.698 -16.369 -6.516 1.00 23.32 H new ATOM 0 HB2 PHE A 77 -8.844 -16.412 -8.982 1.00 53.55 H new ATOM 0 HB3 PHE A 77 -8.256 -14.791 -8.671 1.00 53.55 H new ATOM 0 HD1 PHE A 77 -7.909 -18.340 -7.712 1.00 53.03 H new ATOM 0 HD2 PHE A 77 -6.277 -14.420 -7.354 1.00 55.00 H new ATOM 0 HE1 PHE A 77 -5.857 -19.285 -6.760 1.00 72.41 H new ATOM 0 HE2 PHE A 77 -4.225 -15.365 -6.400 1.00 51.23 H new ATOM 0 HZ PHE A 77 -4.008 -17.800 -6.099 1.00 4.21 H new ATOM 1253 N GLU A 78 -9.203 -14.433 -5.031 1.00 22.41 N ATOM 1254 CA GLU A 78 -9.062 -13.293 -4.107 1.00 64.03 C ATOM 1255 C GLU A 78 -7.599 -12.842 -3.963 1.00 3.52 C ATOM 1256 O GLU A 78 -6.750 -13.587 -3.467 1.00 52.12 O ATOM 1257 CB GLU A 78 -9.636 -13.644 -2.721 1.00 21.35 C ATOM 1258 CG GLU A 78 -9.456 -12.534 -1.681 1.00 71.35 C ATOM 1259 CD GLU A 78 -10.081 -12.860 -0.330 1.00 12.10 C ATOM 1260 OE1 GLU A 78 -9.514 -13.687 0.415 1.00 1.02 O ATOM 1261 OE2 GLU A 78 -11.131 -12.273 0.005 1.00 12.34 O ATOM 0 H GLU A 78 -9.141 -15.348 -4.584 1.00 22.41 H new ATOM 0 HA GLU A 78 -9.627 -12.465 -4.536 1.00 64.03 H new ATOM 0 HB2 GLU A 78 -10.698 -13.865 -2.823 1.00 21.35 H new ATOM 0 HB3 GLU A 78 -9.155 -14.552 -2.357 1.00 21.35 H new ATOM 0 HG2 GLU A 78 -8.391 -12.345 -1.544 1.00 71.35 H new ATOM 0 HG3 GLU A 78 -9.897 -11.613 -2.064 1.00 71.35 H new ATOM 1268 N LEU A 79 -7.317 -11.620 -4.406 1.00 2.24 N ATOM 1269 CA LEU A 79 -5.995 -11.009 -4.231 1.00 43.23 C ATOM 1270 C LEU A 79 -6.026 -9.968 -3.100 1.00 14.23 C ATOM 1271 O LEU A 79 -6.415 -8.816 -3.310 1.00 21.21 O ATOM 1272 CB LEU A 79 -5.532 -10.346 -5.539 1.00 54.41 C ATOM 1273 CG LEU A 79 -5.470 -11.271 -6.766 1.00 60.33 C ATOM 1274 CD1 LEU A 79 -4.998 -10.502 -8.000 1.00 14.41 C ATOM 1275 CD2 LEU A 79 -4.564 -12.470 -6.496 1.00 4.21 C ATOM 0 H LEU A 79 -7.989 -11.027 -4.893 1.00 2.24 H new ATOM 0 HA LEU A 79 -5.289 -11.796 -3.965 1.00 43.23 H new ATOM 0 HB2 LEU A 79 -6.205 -9.518 -5.764 1.00 54.41 H new ATOM 0 HB3 LEU A 79 -4.542 -9.918 -5.378 1.00 54.41 H new ATOM 0 HG LEU A 79 -6.476 -11.644 -6.961 1.00 60.33 H new ATOM 0 HD11 LEU A 79 -4.961 -11.175 -8.856 1.00 14.41 H new ATOM 0 HD12 LEU A 79 -5.692 -9.687 -8.208 1.00 14.41 H new ATOM 0 HD13 LEU A 79 -4.004 -10.094 -7.816 1.00 14.41 H new ATOM 0 HD21 LEU A 79 -4.535 -13.110 -7.378 1.00 4.21 H new ATOM 0 HD22 LEU A 79 -3.557 -12.121 -6.268 1.00 4.21 H new ATOM 0 HD23 LEU A 79 -4.952 -13.036 -5.649 1.00 4.21 H new ATOM 1287 N VAL A 80 -5.633 -10.382 -1.896 1.00 13.54 N ATOM 1288 CA VAL A 80 -5.653 -9.492 -0.728 1.00 12.42 C ATOM 1289 C VAL A 80 -4.250 -8.949 -0.391 1.00 10.13 C ATOM 1290 O VAL A 80 -3.329 -9.704 -0.067 1.00 30.11 O ATOM 1291 CB VAL A 80 -6.270 -10.193 0.516 1.00 41.23 C ATOM 1292 CG1 VAL A 80 -5.581 -11.519 0.804 1.00 23.34 C ATOM 1293 CG2 VAL A 80 -6.225 -9.275 1.741 1.00 74.21 C ATOM 0 H VAL A 80 -5.297 -11.325 -1.701 1.00 13.54 H new ATOM 0 HA VAL A 80 -6.286 -8.646 -0.996 1.00 12.42 H new ATOM 0 HB VAL A 80 -7.315 -10.406 0.291 1.00 41.23 H new ATOM 0 HG11 VAL A 80 -6.036 -11.983 1.679 1.00 23.34 H new ATOM 0 HG12 VAL A 80 -5.691 -12.180 -0.056 1.00 23.34 H new ATOM 0 HG13 VAL A 80 -4.522 -11.345 0.995 1.00 23.34 H new ATOM 0 HG21 VAL A 80 -6.662 -9.789 2.597 1.00 74.21 H new ATOM 0 HG22 VAL A 80 -5.190 -9.016 1.963 1.00 74.21 H new ATOM 0 HG23 VAL A 80 -6.791 -8.366 1.536 1.00 74.21 H new ATOM 1303 N TYR A 81 -4.103 -7.631 -0.479 1.00 33.11 N ATOM 1304 CA TYR A 81 -2.834 -6.955 -0.192 1.00 44.22 C ATOM 1305 C TYR A 81 -2.923 -6.143 1.113 1.00 73.40 C ATOM 1306 O TYR A 81 -3.769 -5.255 1.253 1.00 31.52 O ATOM 1307 CB TYR A 81 -2.458 -6.048 -1.374 1.00 10.44 C ATOM 1308 CG TYR A 81 -1.165 -5.269 -1.187 1.00 35.54 C ATOM 1309 CD1 TYR A 81 0.039 -5.917 -0.915 1.00 24.15 C ATOM 1310 CD2 TYR A 81 -1.152 -3.881 -1.279 1.00 51.54 C ATOM 1311 CE1 TYR A 81 1.209 -5.203 -0.743 1.00 25.35 C ATOM 1312 CE2 TYR A 81 0.017 -3.164 -1.109 1.00 41.15 C ATOM 1313 CZ TYR A 81 1.189 -3.828 -0.840 1.00 12.23 C ATOM 1314 OH TYR A 81 2.351 -3.111 -0.667 1.00 3.41 O ATOM 0 H TYR A 81 -4.856 -6.999 -0.750 1.00 33.11 H new ATOM 0 HA TYR A 81 -2.057 -7.707 -0.058 1.00 44.22 H new ATOM 0 HB2 TYR A 81 -2.372 -6.660 -2.272 1.00 10.44 H new ATOM 0 HB3 TYR A 81 -3.271 -5.342 -1.546 1.00 10.44 H new ATOM 0 HD1 TYR A 81 0.057 -6.994 -0.838 1.00 24.15 H new ATOM 0 HD2 TYR A 81 -2.072 -3.355 -1.487 1.00 51.54 H new ATOM 0 HE1 TYR A 81 2.134 -5.719 -0.534 1.00 25.35 H new ATOM 0 HE2 TYR A 81 0.009 -2.087 -1.187 1.00 41.15 H new ATOM 0 HH TYR A 81 2.312 -2.291 -1.202 1.00 3.41 H new ATOM 1324 N ARG A 82 -2.049 -6.462 2.066 1.00 53.52 N ATOM 1325 CA ARG A 82 -2.021 -5.782 3.364 1.00 75.44 C ATOM 1326 C ARG A 82 -0.780 -4.889 3.498 1.00 34.55 C ATOM 1327 O ARG A 82 0.320 -5.271 3.090 1.00 0.35 O ATOM 1328 CB ARG A 82 -2.013 -6.802 4.509 1.00 24.14 C ATOM 1329 CG ARG A 82 -3.033 -7.923 4.365 1.00 2.10 C ATOM 1330 CD ARG A 82 -3.052 -8.805 5.606 1.00 1.54 C ATOM 1331 NE ARG A 82 -3.740 -10.072 5.380 1.00 53.02 N ATOM 1332 CZ ARG A 82 -4.531 -10.647 6.241 1.00 5.51 C ATOM 1333 NH1 ARG A 82 -4.803 -10.078 7.372 1.00 74.02 N ATOM 1334 NH2 ARG A 82 -5.019 -11.810 5.973 1.00 43.23 N ATOM 0 H ARG A 82 -1.345 -7.193 1.964 1.00 53.52 H new ATOM 0 HA ARG A 82 -2.917 -5.165 3.422 1.00 75.44 H new ATOM 0 HB2 ARG A 82 -1.018 -7.241 4.580 1.00 24.14 H new ATOM 0 HB3 ARG A 82 -2.198 -6.278 5.447 1.00 24.14 H new ATOM 0 HG2 ARG A 82 -4.024 -7.499 4.200 1.00 2.10 H new ATOM 0 HG3 ARG A 82 -2.795 -8.526 3.489 1.00 2.10 H new ATOM 0 HD2 ARG A 82 -2.028 -9.003 5.923 1.00 1.54 H new ATOM 0 HD3 ARG A 82 -3.540 -8.270 6.421 1.00 1.54 H new ATOM 0 HE ARG A 82 -3.591 -10.540 4.486 1.00 53.02 H new ATOM 0 HH11 ARG A 82 -4.397 -9.170 7.597 1.00 74.02 H new ATOM 0 HH12 ARG A 82 -5.424 -10.538 8.038 1.00 74.02 H new ATOM 0 HH21 ARG A 82 -4.785 -12.271 5.094 1.00 43.23 H new ATOM 0 HH22 ARG A 82 -5.639 -12.269 6.640 1.00 43.23 H new ATOM 1348 N VAL A 83 -0.959 -3.708 4.081 1.00 64.34 N ATOM 1349 CA VAL A 83 0.162 -2.806 4.365 1.00 75.23 C ATOM 1350 C VAL A 83 0.272 -2.522 5.871 1.00 42.51 C ATOM 1351 O VAL A 83 -0.594 -1.868 6.452 1.00 3.21 O ATOM 1352 CB VAL A 83 0.020 -1.461 3.608 1.00 1.13 C ATOM 1353 CG1 VAL A 83 1.234 -0.566 3.858 1.00 43.55 C ATOM 1354 CG2 VAL A 83 -0.191 -1.697 2.113 1.00 40.40 C ATOM 0 H VAL A 83 -1.870 -3.349 4.368 1.00 64.34 H new ATOM 0 HA VAL A 83 1.065 -3.310 4.022 1.00 75.23 H new ATOM 0 HB VAL A 83 -0.861 -0.946 3.992 1.00 1.13 H new ATOM 0 HG11 VAL A 83 1.112 0.372 3.317 1.00 43.55 H new ATOM 0 HG12 VAL A 83 1.321 -0.361 4.925 1.00 43.55 H new ATOM 0 HG13 VAL A 83 2.136 -1.071 3.511 1.00 43.55 H new ATOM 0 HG21 VAL A 83 -0.288 -0.738 1.603 1.00 40.40 H new ATOM 0 HG22 VAL A 83 0.662 -2.240 1.706 1.00 40.40 H new ATOM 0 HG23 VAL A 83 -1.098 -2.282 1.961 1.00 40.40 H new ATOM 1364 N ALA A 84 1.331 -3.033 6.497 1.00 24.45 N ATOM 1365 CA ALA A 84 1.578 -2.807 7.927 1.00 55.12 C ATOM 1366 C ALA A 84 2.723 -1.809 8.141 1.00 22.24 C ATOM 1367 O ALA A 84 3.841 -2.018 7.658 1.00 13.42 O ATOM 1368 CB ALA A 84 1.890 -4.131 8.618 1.00 45.52 C ATOM 0 H ALA A 84 2.036 -3.609 6.037 1.00 24.45 H new ATOM 0 HA ALA A 84 0.676 -2.380 8.366 1.00 55.12 H new ATOM 0 HB1 ALA A 84 2.072 -3.954 9.678 1.00 45.52 H new ATOM 0 HB2 ALA A 84 1.045 -4.809 8.503 1.00 45.52 H new ATOM 0 HB3 ALA A 84 2.777 -4.577 8.167 1.00 45.52 H new ATOM 1374 N ALA A 85 2.448 -0.729 8.871 1.00 13.43 N ATOM 1375 CA ALA A 85 3.446 0.321 9.102 1.00 3.15 C ATOM 1376 C ALA A 85 3.274 0.995 10.474 1.00 21.14 C ATOM 1377 O ALA A 85 2.413 0.611 11.266 1.00 51.10 O ATOM 1378 CB ALA A 85 3.374 1.359 7.986 1.00 12.24 C ATOM 0 H ALA A 85 1.545 -0.556 9.313 1.00 13.43 H new ATOM 0 HA ALA A 85 4.429 -0.150 9.098 1.00 3.15 H new ATOM 0 HB1 ALA A 85 4.118 2.136 8.163 1.00 12.24 H new ATOM 0 HB2 ALA A 85 3.573 0.878 7.028 1.00 12.24 H new ATOM 0 HB3 ALA A 85 2.380 1.806 7.968 1.00 12.24 H new ATOM 1384 N ARG A 86 4.119 1.989 10.751 1.00 54.14 N ATOM 1385 CA ARG A 86 4.053 2.770 11.993 1.00 51.22 C ATOM 1386 C ARG A 86 4.390 4.244 11.713 1.00 53.21 C ATOM 1387 O ARG A 86 5.169 4.548 10.808 1.00 42.45 O ATOM 1388 CB ARG A 86 5.032 2.214 13.042 1.00 63.34 C ATOM 1389 CG ARG A 86 4.729 0.790 13.501 1.00 20.41 C ATOM 1390 CD ARG A 86 5.779 0.289 14.487 1.00 53.20 C ATOM 1391 NE ARG A 86 7.121 0.302 13.902 1.00 11.13 N ATOM 1392 CZ ARG A 86 8.222 0.474 14.582 1.00 44.21 C ATOM 1393 NH1 ARG A 86 8.193 0.648 15.864 1.00 62.42 N ATOM 1394 NH2 ARG A 86 9.360 0.472 13.969 1.00 50.31 N ATOM 0 H ARG A 86 4.869 2.277 10.123 1.00 54.14 H new ATOM 0 HA ARG A 86 3.038 2.696 12.383 1.00 51.22 H new ATOM 0 HB2 ARG A 86 6.041 2.242 12.630 1.00 63.34 H new ATOM 0 HB3 ARG A 86 5.025 2.871 13.911 1.00 63.34 H new ATOM 0 HG2 ARG A 86 3.745 0.758 13.968 1.00 20.41 H new ATOM 0 HG3 ARG A 86 4.694 0.127 12.637 1.00 20.41 H new ATOM 0 HD2 ARG A 86 5.766 0.913 15.381 1.00 53.20 H new ATOM 0 HD3 ARG A 86 5.529 -0.724 14.801 1.00 53.20 H new ATOM 0 HE ARG A 86 7.201 0.167 12.894 1.00 11.13 H new ATOM 0 HH11 ARG A 86 7.301 0.652 16.358 1.00 62.42 H new ATOM 0 HH12 ARG A 86 9.062 0.781 16.380 1.00 62.42 H new ATOM 0 HH21 ARG A 86 9.395 0.336 12.959 1.00 50.31 H new ATOM 0 HH22 ARG A 86 10.223 0.606 14.496 1.00 50.31 H new ATOM 1408 N LEU A 87 3.811 5.150 12.494 1.00 73.01 N ATOM 1409 CA LEU A 87 4.063 6.588 12.334 1.00 44.11 C ATOM 1410 C LEU A 87 4.798 7.132 13.570 1.00 25.23 C ATOM 1411 O LEU A 87 4.185 7.386 14.608 1.00 73.02 O ATOM 1412 CB LEU A 87 2.738 7.336 12.134 1.00 20.42 C ATOM 1413 CG LEU A 87 2.869 8.788 11.651 1.00 55.33 C ATOM 1414 CD1 LEU A 87 3.430 8.837 10.232 1.00 62.24 C ATOM 1415 CD2 LEU A 87 1.524 9.501 11.725 1.00 74.23 C ATOM 0 H LEU A 87 3.162 4.919 13.247 1.00 73.01 H new ATOM 0 HA LEU A 87 4.689 6.743 11.455 1.00 44.11 H new ATOM 0 HB2 LEU A 87 2.134 6.784 11.414 1.00 20.42 H new ATOM 0 HB3 LEU A 87 2.192 7.332 13.077 1.00 20.42 H new ATOM 0 HG LEU A 87 3.567 9.306 12.309 1.00 55.33 H new ATOM 0 HD11 LEU A 87 3.514 9.875 9.910 1.00 62.24 H new ATOM 0 HD12 LEU A 87 4.415 8.370 10.214 1.00 62.24 H new ATOM 0 HD13 LEU A 87 2.762 8.301 9.558 1.00 62.24 H new ATOM 0 HD21 LEU A 87 1.637 10.528 11.379 1.00 74.23 H new ATOM 0 HD22 LEU A 87 0.802 8.983 11.094 1.00 74.23 H new ATOM 0 HD23 LEU A 87 1.169 9.503 12.756 1.00 74.23 H new ATOM 1427 N LEU A 88 6.112 7.293 13.462 1.00 15.03 N ATOM 1428 CA LEU A 88 6.939 7.673 14.615 1.00 0.42 C ATOM 1429 C LEU A 88 7.285 9.169 14.622 1.00 44.22 C ATOM 1430 O LEU A 88 6.978 9.908 13.688 1.00 71.53 O ATOM 1431 CB LEU A 88 8.240 6.847 14.647 1.00 75.22 C ATOM 1432 CG LEU A 88 8.070 5.324 14.837 1.00 71.34 C ATOM 1433 CD1 LEU A 88 7.525 4.664 13.573 1.00 62.13 C ATOM 1434 CD2 LEU A 88 9.391 4.683 15.251 1.00 2.41 C ATOM 0 H LEU A 88 6.632 7.168 12.593 1.00 15.03 H new ATOM 0 HA LEU A 88 6.346 7.462 15.505 1.00 0.42 H new ATOM 0 HB2 LEU A 88 8.779 7.019 13.715 1.00 75.22 H new ATOM 0 HB3 LEU A 88 8.868 7.226 15.453 1.00 75.22 H new ATOM 0 HG LEU A 88 7.344 5.167 15.634 1.00 71.34 H new ATOM 0 HD11 LEU A 88 7.417 3.592 13.740 1.00 62.13 H new ATOM 0 HD12 LEU A 88 6.553 5.093 13.329 1.00 62.13 H new ATOM 0 HD13 LEU A 88 8.215 4.835 12.747 1.00 62.13 H new ATOM 0 HD21 LEU A 88 9.250 3.610 15.380 1.00 2.41 H new ATOM 0 HD22 LEU A 88 10.139 4.861 14.479 1.00 2.41 H new ATOM 0 HD23 LEU A 88 9.729 5.120 16.191 1.00 2.41 H new ATOM 1446 N ASP A 89 7.921 9.595 15.706 1.00 43.14 N ATOM 1447 CA ASP A 89 8.419 10.962 15.858 1.00 13.13 C ATOM 1448 C ASP A 89 9.736 11.149 15.083 1.00 34.01 C ATOM 1449 O ASP A 89 10.395 10.172 14.726 1.00 45.54 O ATOM 1450 CB ASP A 89 8.629 11.246 17.354 1.00 22.41 C ATOM 1451 CG ASP A 89 9.295 12.582 17.622 1.00 40.04 C ATOM 1452 OD1 ASP A 89 8.590 13.606 17.677 1.00 24.03 O ATOM 1453 OD2 ASP A 89 10.532 12.616 17.778 1.00 44.33 O ATOM 0 H ASP A 89 8.109 8.999 16.512 1.00 43.14 H new ATOM 0 HA ASP A 89 7.692 11.663 15.449 1.00 13.13 H new ATOM 0 HB2 ASP A 89 7.664 11.220 17.861 1.00 22.41 H new ATOM 0 HB3 ASP A 89 9.237 10.451 17.786 1.00 22.41 H new ATOM 1458 N ALA A 90 10.124 12.404 14.852 1.00 71.42 N ATOM 1459 CA ALA A 90 11.368 12.730 14.134 1.00 14.42 C ATOM 1460 C ALA A 90 12.601 12.009 14.711 1.00 34.13 C ATOM 1461 O ALA A 90 13.596 11.812 14.020 1.00 20.22 O ATOM 1462 CB ALA A 90 11.593 14.235 14.160 1.00 33.34 C ATOM 0 H ALA A 90 9.593 13.221 15.153 1.00 71.42 H new ATOM 0 HA ALA A 90 11.247 12.381 13.109 1.00 14.42 H new ATOM 0 HB1 ALA A 90 12.514 14.474 13.628 1.00 33.34 H new ATOM 0 HB2 ALA A 90 10.754 14.737 13.677 1.00 33.34 H new ATOM 0 HB3 ALA A 90 11.672 14.573 15.193 1.00 33.34 H new ATOM 1468 N HIS A 91 12.530 11.613 15.979 1.00 41.22 N ATOM 1469 CA HIS A 91 13.657 10.959 16.656 1.00 22.30 C ATOM 1470 C HIS A 91 13.446 9.437 16.787 1.00 21.21 C ATOM 1471 O HIS A 91 14.075 8.784 17.622 1.00 12.42 O ATOM 1472 CB HIS A 91 13.850 11.599 18.034 1.00 40.34 C ATOM 1473 CG HIS A 91 14.040 13.084 17.954 1.00 42.41 C ATOM 1474 ND1 HIS A 91 12.992 13.978 17.984 1.00 64.32 N ATOM 1475 CD2 HIS A 91 15.159 13.830 17.806 1.00 73.53 C ATOM 1476 CE1 HIS A 91 13.456 15.203 17.855 1.00 64.13 C ATOM 1477 NE2 HIS A 91 14.765 15.142 17.745 1.00 53.53 N ATOM 0 H HIS A 91 11.703 11.732 16.564 1.00 41.22 H new ATOM 0 HA HIS A 91 14.554 11.101 16.053 1.00 22.30 H new ATOM 0 HB2 HIS A 91 12.984 11.380 18.658 1.00 40.34 H new ATOM 0 HB3 HIS A 91 14.716 11.151 18.522 1.00 40.34 H new ATOM 0 HD1 HIS A 91 12.009 13.729 18.090 1.00 64.32 H new ATOM 0 HD2 HIS A 91 16.172 13.461 17.747 1.00 73.53 H new ATOM 0 HE1 HIS A 91 12.862 16.105 17.842 1.00 64.13 H new ATOM 1486 N ASN A 92 12.573 8.883 15.934 1.00 51.44 N ATOM 1487 CA ASN A 92 12.261 7.439 15.922 1.00 55.25 C ATOM 1488 C ASN A 92 11.532 6.985 17.200 1.00 74.13 C ATOM 1489 O ASN A 92 11.507 5.798 17.526 1.00 74.10 O ATOM 1490 CB ASN A 92 13.531 6.600 15.706 1.00 12.40 C ATOM 1491 CG ASN A 92 14.092 6.750 14.304 1.00 51.25 C ATOM 1492 OD1 ASN A 92 13.737 6.005 13.397 1.00 30.41 O ATOM 1493 ND2 ASN A 92 14.974 7.710 14.115 1.00 30.54 N ATOM 0 H ASN A 92 12.062 9.419 15.232 1.00 51.44 H new ATOM 0 HA ASN A 92 11.584 7.275 15.084 1.00 55.25 H new ATOM 0 HB2 ASN A 92 14.288 6.899 16.431 1.00 12.40 H new ATOM 0 HB3 ASN A 92 13.306 5.550 15.894 1.00 12.40 H new ATOM 0 HD21 ASN A 92 15.384 7.851 13.192 1.00 30.54 H new ATOM 0 HD22 ASN A 92 15.247 8.312 14.892 1.00 30.54 H new ATOM 1500 N ALA A 93 10.924 7.931 17.904 1.00 55.33 N ATOM 1501 CA ALA A 93 10.121 7.619 19.089 1.00 32.15 C ATOM 1502 C ALA A 93 8.688 7.233 18.693 1.00 22.11 C ATOM 1503 O ALA A 93 8.080 7.882 17.849 1.00 10.13 O ATOM 1504 CB ALA A 93 10.104 8.815 20.033 1.00 43.01 C ATOM 0 H ALA A 93 10.969 8.925 17.678 1.00 55.33 H new ATOM 0 HA ALA A 93 10.572 6.768 19.599 1.00 32.15 H new ATOM 0 HB1 ALA A 93 9.505 8.576 20.912 1.00 43.01 H new ATOM 0 HB2 ALA A 93 11.123 9.050 20.341 1.00 43.01 H new ATOM 0 HB3 ALA A 93 9.672 9.675 19.522 1.00 43.01 H new ATOM 1510 N GLU A 94 8.153 6.173 19.297 1.00 10.44 N ATOM 1511 CA GLU A 94 6.779 5.729 19.005 1.00 42.41 C ATOM 1512 C GLU A 94 5.759 6.862 19.236 1.00 53.14 C ATOM 1513 O GLU A 94 5.734 7.485 20.301 1.00 53.04 O ATOM 1514 CB GLU A 94 6.418 4.500 19.855 1.00 13.43 C ATOM 1515 CG GLU A 94 6.651 4.688 21.352 1.00 65.45 C ATOM 1516 CD GLU A 94 6.246 3.471 22.165 1.00 2.53 C ATOM 1517 OE1 GLU A 94 6.902 2.416 22.032 1.00 62.32 O ATOM 1518 OE2 GLU A 94 5.277 3.563 22.949 1.00 41.13 O ATOM 0 H GLU A 94 8.642 5.604 19.989 1.00 10.44 H new ATOM 0 HA GLU A 94 6.737 5.452 17.952 1.00 42.41 H new ATOM 0 HB2 GLU A 94 5.369 4.252 19.690 1.00 13.43 H new ATOM 0 HB3 GLU A 94 7.005 3.648 19.511 1.00 13.43 H new ATOM 0 HG2 GLU A 94 7.705 4.903 21.527 1.00 65.45 H new ATOM 0 HG3 GLU A 94 6.087 5.555 21.697 1.00 65.45 H new ATOM 1525 N LEU A 95 4.930 7.135 18.229 1.00 35.41 N ATOM 1526 CA LEU A 95 3.957 8.235 18.300 1.00 3.21 C ATOM 1527 C LEU A 95 2.542 7.738 17.940 1.00 42.42 C ATOM 1528 O LEU A 95 1.710 7.508 18.820 1.00 40.12 O ATOM 1529 CB LEU A 95 4.398 9.379 17.356 1.00 52.30 C ATOM 1530 CG LEU A 95 3.829 10.784 17.655 1.00 71.04 C ATOM 1531 CD1 LEU A 95 2.318 10.842 17.445 1.00 13.02 C ATOM 1532 CD2 LEU A 95 4.195 11.219 19.076 1.00 65.12 C ATOM 0 H LEU A 95 4.909 6.613 17.353 1.00 35.41 H new ATOM 0 HA LEU A 95 3.923 8.614 19.321 1.00 3.21 H new ATOM 0 HB2 LEU A 95 5.486 9.440 17.381 1.00 52.30 H new ATOM 0 HB3 LEU A 95 4.117 9.108 16.338 1.00 52.30 H new ATOM 0 HG LEU A 95 4.282 11.479 16.948 1.00 71.04 H new ATOM 0 HD11 LEU A 95 1.958 11.847 17.666 1.00 13.02 H new ATOM 0 HD12 LEU A 95 2.085 10.592 16.410 1.00 13.02 H new ATOM 0 HD13 LEU A 95 1.831 10.128 18.109 1.00 13.02 H new ATOM 0 HD21 LEU A 95 3.786 12.211 19.270 1.00 65.12 H new ATOM 0 HD22 LEU A 95 3.780 10.509 19.792 1.00 65.12 H new ATOM 0 HD23 LEU A 95 5.280 11.247 19.180 1.00 65.12 H new ATOM 1544 N ALA A 96 2.280 7.564 16.648 1.00 3.34 N ATOM 1545 CA ALA A 96 0.965 7.122 16.171 1.00 74.34 C ATOM 1546 C ALA A 96 1.045 5.758 15.470 1.00 35.35 C ATOM 1547 O ALA A 96 1.806 5.576 14.518 1.00 5.41 O ATOM 1548 CB ALA A 96 0.373 8.171 15.229 1.00 44.41 C ATOM 0 H ALA A 96 2.962 7.722 15.906 1.00 3.34 H new ATOM 0 HA ALA A 96 0.314 7.007 17.038 1.00 74.34 H new ATOM 0 HB1 ALA A 96 -0.603 7.836 14.879 1.00 44.41 H new ATOM 0 HB2 ALA A 96 0.263 9.116 15.760 1.00 44.41 H new ATOM 0 HB3 ALA A 96 1.037 8.309 14.375 1.00 44.41 H new ATOM 1554 N SER A 97 0.261 4.796 15.945 1.00 71.31 N ATOM 1555 CA SER A 97 0.209 3.479 15.308 1.00 71.45 C ATOM 1556 C SER A 97 -0.499 3.557 13.947 1.00 33.40 C ATOM 1557 O SER A 97 -1.725 3.478 13.863 1.00 52.51 O ATOM 1558 CB SER A 97 -0.491 2.456 16.219 1.00 21.02 C ATOM 1559 OG SER A 97 -1.795 2.887 16.592 1.00 35.33 O ATOM 0 H SER A 97 -0.343 4.898 16.761 1.00 71.31 H new ATOM 0 HA SER A 97 1.234 3.147 15.143 1.00 71.45 H new ATOM 0 HB2 SER A 97 -0.558 1.497 15.705 1.00 21.02 H new ATOM 0 HB3 SER A 97 0.109 2.296 17.115 1.00 21.02 H new ATOM 0 HG SER A 97 -2.257 3.249 15.807 1.00 35.33 H new ATOM 1565 N LEU A 98 0.278 3.761 12.883 1.00 71.00 N ATOM 1566 CA LEU A 98 -0.267 3.779 11.521 1.00 10.53 C ATOM 1567 C LEU A 98 -0.901 2.413 11.195 1.00 1.12 C ATOM 1568 O LEU A 98 -0.223 1.491 10.742 1.00 34.41 O ATOM 1569 CB LEU A 98 0.841 4.130 10.509 1.00 74.10 C ATOM 1570 CG LEU A 98 0.365 4.440 9.079 1.00 62.01 C ATOM 1571 CD1 LEU A 98 -0.526 5.681 9.062 1.00 75.33 C ATOM 1572 CD2 LEU A 98 1.559 4.623 8.142 1.00 34.24 C ATOM 0 H LEU A 98 1.285 3.916 12.935 1.00 71.00 H new ATOM 0 HA LEU A 98 -1.041 4.544 11.452 1.00 10.53 H new ATOM 0 HB2 LEU A 98 1.390 4.993 10.885 1.00 74.10 H new ATOM 0 HB3 LEU A 98 1.545 3.299 10.466 1.00 74.10 H new ATOM 0 HG LEU A 98 -0.223 3.593 8.725 1.00 62.01 H new ATOM 0 HD11 LEU A 98 -0.851 5.882 8.041 1.00 75.33 H new ATOM 0 HD12 LEU A 98 -1.398 5.512 9.694 1.00 75.33 H new ATOM 0 HD13 LEU A 98 0.034 6.536 9.439 1.00 75.33 H new ATOM 0 HD21 LEU A 98 1.202 4.841 7.136 1.00 34.24 H new ATOM 0 HD22 LEU A 98 2.176 5.449 8.495 1.00 34.24 H new ATOM 0 HD23 LEU A 98 2.152 3.709 8.126 1.00 34.24 H new ATOM 1584 N GLN A 99 -2.203 2.294 11.461 1.00 55.12 N ATOM 1585 CA GLN A 99 -2.900 1.001 11.418 1.00 60.34 C ATOM 1586 C GLN A 99 -2.834 0.331 10.039 1.00 0.50 C ATOM 1587 O GLN A 99 -2.822 0.996 8.998 1.00 31.32 O ATOM 1588 CB GLN A 99 -4.360 1.160 11.862 1.00 60.40 C ATOM 1589 CG GLN A 99 -4.505 1.684 13.289 1.00 54.34 C ATOM 1590 CD GLN A 99 -5.953 1.759 13.745 1.00 74.45 C ATOM 1591 OE1 GLN A 99 -6.628 2.765 13.545 1.00 23.05 O ATOM 1592 NE2 GLN A 99 -6.437 0.705 14.373 1.00 54.31 N ATOM 0 H GLN A 99 -2.802 3.081 11.710 1.00 55.12 H new ATOM 0 HA GLN A 99 -2.379 0.344 12.114 1.00 60.34 H new ATOM 0 HB2 GLN A 99 -4.868 1.841 11.179 1.00 60.40 H new ATOM 0 HB3 GLN A 99 -4.863 0.196 11.784 1.00 60.40 H new ATOM 0 HG2 GLN A 99 -3.948 1.037 13.967 1.00 54.34 H new ATOM 0 HG3 GLN A 99 -4.056 2.675 13.354 1.00 54.34 H new ATOM 0 HE21 GLN A 99 -5.848 -0.115 14.522 1.00 54.31 H new ATOM 0 HE22 GLN A 99 -7.400 0.709 14.709 1.00 54.31 H new ATOM 1601 N GLU A 100 -2.813 -1.000 10.060 1.00 12.23 N ATOM 1602 CA GLU A 100 -2.654 -1.810 8.853 1.00 64.50 C ATOM 1603 C GLU A 100 -3.864 -1.696 7.905 1.00 62.14 C ATOM 1604 O GLU A 100 -5.016 -1.599 8.337 1.00 44.13 O ATOM 1605 CB GLU A 100 -2.412 -3.271 9.255 1.00 14.40 C ATOM 1606 CG GLU A 100 -3.536 -3.878 10.096 1.00 43.23 C ATOM 1607 CD GLU A 100 -3.089 -5.098 10.887 1.00 61.13 C ATOM 1608 OE1 GLU A 100 -2.911 -6.177 10.285 1.00 54.41 O ATOM 1609 OE2 GLU A 100 -2.900 -4.978 12.119 1.00 52.40 O ATOM 0 H GLU A 100 -2.906 -1.548 10.915 1.00 12.23 H new ATOM 0 HA GLU A 100 -1.794 -1.431 8.301 1.00 64.50 H new ATOM 0 HB2 GLU A 100 -2.283 -3.869 8.353 1.00 14.40 H new ATOM 0 HB3 GLU A 100 -1.479 -3.334 9.815 1.00 14.40 H new ATOM 0 HG2 GLU A 100 -3.916 -3.124 10.785 1.00 43.23 H new ATOM 0 HG3 GLU A 100 -4.362 -4.158 9.442 1.00 43.23 H new ATOM 1616 N ILE A 101 -3.581 -1.705 6.607 1.00 13.52 N ATOM 1617 CA ILE A 101 -4.611 -1.566 5.572 1.00 15.01 C ATOM 1618 C ILE A 101 -4.793 -2.879 4.792 1.00 55.55 C ATOM 1619 O ILE A 101 -3.814 -3.510 4.396 1.00 21.53 O ATOM 1620 CB ILE A 101 -4.234 -0.427 4.589 1.00 0.43 C ATOM 1621 CG1 ILE A 101 -3.971 0.876 5.369 1.00 70.41 C ATOM 1622 CG2 ILE A 101 -5.330 -0.219 3.539 1.00 42.14 C ATOM 1623 CD1 ILE A 101 -3.481 2.020 4.510 1.00 25.02 C ATOM 0 H ILE A 101 -2.635 -1.808 6.239 1.00 13.52 H new ATOM 0 HA ILE A 101 -5.551 -1.323 6.067 1.00 15.01 H new ATOM 0 HB ILE A 101 -3.323 -0.713 4.063 1.00 0.43 H new ATOM 0 HG12 ILE A 101 -4.890 1.179 5.870 1.00 70.41 H new ATOM 0 HG13 ILE A 101 -3.234 0.679 6.148 1.00 70.41 H new ATOM 0 HG21 ILE A 101 -5.039 0.585 2.864 1.00 42.14 H new ATOM 0 HG22 ILE A 101 -5.468 -1.138 2.970 1.00 42.14 H new ATOM 0 HG23 ILE A 101 -6.264 0.044 4.035 1.00 42.14 H new ATOM 0 HD11 ILE A 101 -3.320 2.900 5.133 1.00 25.02 H new ATOM 0 HD12 ILE A 101 -2.544 1.739 4.030 1.00 25.02 H new ATOM 0 HD13 ILE A 101 -4.226 2.247 3.747 1.00 25.02 H new ATOM 1635 N ARG A 102 -6.045 -3.285 4.577 1.00 4.34 N ATOM 1636 CA ARG A 102 -6.352 -4.525 3.847 1.00 4.30 C ATOM 1637 C ARG A 102 -7.204 -4.246 2.593 1.00 72.10 C ATOM 1638 O ARG A 102 -8.367 -3.867 2.696 1.00 34.21 O ATOM 1639 CB ARG A 102 -7.080 -5.526 4.769 1.00 74.22 C ATOM 1640 CG ARG A 102 -8.312 -4.951 5.480 1.00 4.31 C ATOM 1641 CD ARG A 102 -9.037 -6.010 6.312 1.00 25.14 C ATOM 1642 NE ARG A 102 -9.620 -7.062 5.475 1.00 14.44 N ATOM 1643 CZ ARG A 102 -9.746 -8.311 5.840 1.00 31.51 C ATOM 1644 NH1 ARG A 102 -9.346 -8.710 7.003 1.00 74.42 N ATOM 1645 NH2 ARG A 102 -10.284 -9.163 5.031 1.00 41.11 N ATOM 0 H ARG A 102 -6.868 -2.775 4.897 1.00 4.34 H new ATOM 0 HA ARG A 102 -5.407 -4.960 3.522 1.00 4.30 H new ATOM 0 HB2 ARG A 102 -7.386 -6.389 4.178 1.00 74.22 H new ATOM 0 HB3 ARG A 102 -6.377 -5.887 5.520 1.00 74.22 H new ATOM 0 HG2 ARG A 102 -8.007 -4.128 6.126 1.00 4.31 H new ATOM 0 HG3 ARG A 102 -8.998 -4.538 4.740 1.00 4.31 H new ATOM 0 HD2 ARG A 102 -8.338 -6.456 7.020 1.00 25.14 H new ATOM 0 HD3 ARG A 102 -9.824 -5.535 6.897 1.00 25.14 H new ATOM 0 HE ARG A 102 -9.950 -6.802 4.545 1.00 14.44 H new ATOM 0 HH11 ARG A 102 -8.924 -8.046 7.653 1.00 74.42 H new ATOM 0 HH12 ARG A 102 -9.452 -9.688 7.271 1.00 74.42 H new ATOM 0 HH21 ARG A 102 -10.608 -8.860 4.113 1.00 41.11 H new ATOM 0 HH22 ARG A 102 -10.385 -10.139 5.311 1.00 41.11 H new ATOM 1659 N LEU A 103 -6.613 -4.419 1.411 1.00 72.45 N ATOM 1660 CA LEU A 103 -7.333 -4.247 0.136 1.00 2.32 C ATOM 1661 C LEU A 103 -7.508 -5.592 -0.585 1.00 32.33 C ATOM 1662 O LEU A 103 -6.607 -6.428 -0.569 1.00 72.43 O ATOM 1663 CB LEU A 103 -6.575 -3.273 -0.780 1.00 12.44 C ATOM 1664 CG LEU A 103 -6.406 -1.842 -0.244 1.00 53.32 C ATOM 1665 CD1 LEU A 103 -5.499 -1.028 -1.164 1.00 74.25 C ATOM 1666 CD2 LEU A 103 -7.764 -1.155 -0.085 1.00 53.32 C ATOM 0 H LEU A 103 -5.633 -4.679 1.303 1.00 72.45 H new ATOM 0 HA LEU A 103 -8.318 -3.840 0.364 1.00 2.32 H new ATOM 0 HB2 LEU A 103 -5.586 -3.686 -0.978 1.00 12.44 H new ATOM 0 HB3 LEU A 103 -7.096 -3.223 -1.736 1.00 12.44 H new ATOM 0 HG LEU A 103 -5.938 -1.901 0.739 1.00 53.32 H new ATOM 0 HD11 LEU A 103 -5.391 -0.018 -0.768 1.00 74.25 H new ATOM 0 HD12 LEU A 103 -4.519 -1.502 -1.221 1.00 74.25 H new ATOM 0 HD13 LEU A 103 -5.938 -0.982 -2.160 1.00 74.25 H new ATOM 0 HD21 LEU A 103 -7.618 -0.144 0.296 1.00 53.32 H new ATOM 0 HD22 LEU A 103 -8.264 -1.110 -1.052 1.00 53.32 H new ATOM 0 HD23 LEU A 103 -8.378 -1.721 0.615 1.00 53.32 H new ATOM 1678 N THR A 104 -8.661 -5.801 -1.223 1.00 34.10 N ATOM 1679 CA THR A 104 -8.923 -7.062 -1.943 1.00 45.10 C ATOM 1680 C THR A 104 -9.383 -6.826 -3.392 1.00 73.44 C ATOM 1681 O THR A 104 -10.398 -6.176 -3.642 1.00 15.14 O ATOM 1682 CB THR A 104 -9.982 -7.935 -1.217 1.00 4.50 C ATOM 1683 OG1 THR A 104 -11.215 -7.215 -1.055 1.00 30.34 O ATOM 1684 CG2 THR A 104 -9.479 -8.390 0.148 1.00 13.13 C ATOM 0 H THR A 104 -9.425 -5.126 -1.260 1.00 34.10 H new ATOM 0 HA THR A 104 -7.970 -7.591 -1.959 1.00 45.10 H new ATOM 0 HB THR A 104 -10.159 -8.813 -1.838 1.00 4.50 H new ATOM 0 HG1 THR A 104 -11.378 -6.663 -1.848 1.00 30.34 H new ATOM 0 HG21 THR A 104 -10.242 -8.999 0.632 1.00 13.13 H new ATOM 0 HG22 THR A 104 -8.570 -8.978 0.023 1.00 13.13 H new ATOM 0 HG23 THR A 104 -9.265 -7.518 0.766 1.00 13.13 H new ATOM 1692 N ARG A 105 -8.613 -7.352 -4.342 1.00 62.43 N ATOM 1693 CA ARG A 105 -8.978 -7.323 -5.767 1.00 2.44 C ATOM 1694 C ARG A 105 -9.433 -8.716 -6.233 1.00 20.20 C ATOM 1695 O ARG A 105 -8.993 -9.730 -5.693 1.00 61.40 O ATOM 1696 CB ARG A 105 -7.788 -6.838 -6.615 1.00 60.42 C ATOM 1697 CG ARG A 105 -7.772 -5.330 -6.880 1.00 52.43 C ATOM 1698 CD ARG A 105 -7.747 -4.499 -5.599 1.00 52.23 C ATOM 1699 NE ARG A 105 -7.697 -3.065 -5.892 1.00 61.11 N ATOM 1700 CZ ARG A 105 -7.878 -2.115 -5.014 1.00 63.00 C ATOM 1701 NH1 ARG A 105 -8.154 -2.387 -3.778 1.00 75.43 N ATOM 1702 NH2 ARG A 105 -7.791 -0.882 -5.385 1.00 54.31 N ATOM 0 H ARG A 105 -7.721 -7.810 -4.153 1.00 62.43 H new ATOM 0 HA ARG A 105 -9.806 -6.626 -5.898 1.00 2.44 H new ATOM 0 HB2 ARG A 105 -6.862 -7.116 -6.112 1.00 60.42 H new ATOM 0 HB3 ARG A 105 -7.801 -7.362 -7.571 1.00 60.42 H new ATOM 0 HG2 ARG A 105 -6.899 -5.082 -7.484 1.00 52.43 H new ATOM 0 HG3 ARG A 105 -8.652 -5.060 -7.464 1.00 52.43 H new ATOM 0 HD2 ARG A 105 -8.633 -4.719 -5.003 1.00 52.23 H new ATOM 0 HD3 ARG A 105 -6.882 -4.779 -4.999 1.00 52.23 H new ATOM 0 HE ARG A 105 -7.506 -2.787 -6.855 1.00 61.11 H new ATOM 0 HH11 ARG A 105 -8.234 -3.358 -3.475 1.00 75.43 H new ATOM 0 HH12 ARG A 105 -8.292 -1.631 -3.108 1.00 75.43 H new ATOM 0 HH21 ARG A 105 -7.582 -0.656 -6.357 1.00 54.31 H new ATOM 0 HH22 ARG A 105 -7.931 -0.134 -4.706 1.00 54.31 H new ATOM 1716 N ILE A 106 -10.309 -8.771 -7.238 1.00 45.14 N ATOM 1717 CA ILE A 106 -10.883 -10.051 -7.689 1.00 14.21 C ATOM 1718 C ILE A 106 -10.386 -10.452 -9.092 1.00 71.31 C ATOM 1719 O ILE A 106 -10.584 -9.727 -10.070 1.00 12.12 O ATOM 1720 CB ILE A 106 -12.434 -10.002 -7.694 1.00 44.44 C ATOM 1721 CG1 ILE A 106 -12.966 -9.475 -6.348 1.00 55.34 C ATOM 1722 CG2 ILE A 106 -13.015 -11.384 -8.001 1.00 50.23 C ATOM 1723 CD1 ILE A 106 -12.534 -10.292 -5.147 1.00 35.31 C ATOM 0 H ILE A 106 -10.637 -7.955 -7.754 1.00 45.14 H new ATOM 0 HA ILE A 106 -10.545 -10.803 -6.976 1.00 14.21 H new ATOM 0 HB ILE A 106 -12.752 -9.315 -8.478 1.00 44.44 H new ATOM 0 HG12 ILE A 106 -12.629 -8.447 -6.214 1.00 55.34 H new ATOM 0 HG13 ILE A 106 -14.055 -9.451 -6.385 1.00 55.34 H new ATOM 0 HG21 ILE A 106 -14.104 -11.329 -8.000 1.00 50.23 H new ATOM 0 HG22 ILE A 106 -12.669 -11.715 -8.980 1.00 50.23 H new ATOM 0 HG23 ILE A 106 -12.687 -12.094 -7.242 1.00 50.23 H new ATOM 0 HD11 ILE A 106 -12.951 -9.854 -4.240 1.00 35.31 H new ATOM 0 HD12 ILE A 106 -12.894 -11.315 -5.254 1.00 35.31 H new ATOM 0 HD13 ILE A 106 -11.446 -10.295 -5.081 1.00 35.31 H new ATOM 1735 N LEU A 107 -9.745 -11.614 -9.176 1.00 33.23 N ATOM 1736 CA LEU A 107 -9.231 -12.156 -10.443 1.00 70.13 C ATOM 1737 C LEU A 107 -10.227 -13.184 -11.028 1.00 35.34 C ATOM 1738 O LEU A 107 -10.447 -14.242 -10.436 1.00 33.41 O ATOM 1739 CB LEU A 107 -7.850 -12.803 -10.183 1.00 25.12 C ATOM 1740 CG LEU A 107 -6.974 -13.131 -11.414 1.00 1.31 C ATOM 1741 CD1 LEU A 107 -7.535 -14.295 -12.226 1.00 14.51 C ATOM 1742 CD2 LEU A 107 -6.798 -11.899 -12.289 1.00 0.41 C ATOM 0 H LEU A 107 -9.564 -12.212 -8.370 1.00 33.23 H new ATOM 0 HA LEU A 107 -9.118 -11.355 -11.173 1.00 70.13 H new ATOM 0 HB2 LEU A 107 -7.283 -12.136 -9.534 1.00 25.12 H new ATOM 0 HB3 LEU A 107 -8.010 -13.727 -9.628 1.00 25.12 H new ATOM 0 HG LEU A 107 -5.997 -13.440 -11.043 1.00 1.31 H new ATOM 0 HD11 LEU A 107 -6.886 -14.489 -13.080 1.00 14.51 H new ATOM 0 HD12 LEU A 107 -7.585 -15.185 -11.599 1.00 14.51 H new ATOM 0 HD13 LEU A 107 -8.535 -14.044 -12.579 1.00 14.51 H new ATOM 0 HD21 LEU A 107 -6.179 -12.150 -13.150 1.00 0.41 H new ATOM 0 HD22 LEU A 107 -7.773 -11.554 -12.632 1.00 0.41 H new ATOM 0 HD23 LEU A 107 -6.316 -11.109 -11.713 1.00 0.41 H new ATOM 1754 N PRO A 108 -10.853 -12.884 -12.188 1.00 63.33 N ATOM 1755 CA PRO A 108 -11.823 -13.796 -12.830 1.00 40.34 C ATOM 1756 C PRO A 108 -11.154 -14.982 -13.562 1.00 5.41 C ATOM 1757 O PRO A 108 -10.104 -14.827 -14.202 1.00 24.10 O ATOM 1758 CB PRO A 108 -12.543 -12.879 -13.827 1.00 43.41 C ATOM 1759 CG PRO A 108 -11.521 -11.856 -14.199 1.00 14.31 C ATOM 1760 CD PRO A 108 -10.679 -11.635 -12.965 1.00 51.21 C ATOM 0 HA PRO A 108 -12.479 -14.270 -12.100 1.00 40.34 H new ATOM 0 HB2 PRO A 108 -12.886 -13.434 -14.701 1.00 43.41 H new ATOM 0 HB3 PRO A 108 -13.422 -12.417 -13.378 1.00 43.41 H new ATOM 0 HG2 PRO A 108 -10.909 -12.202 -15.032 1.00 14.31 H new ATOM 0 HG3 PRO A 108 -11.997 -10.928 -14.517 1.00 14.31 H new ATOM 0 HD2 PRO A 108 -9.633 -11.465 -13.220 1.00 51.21 H new ATOM 0 HD3 PRO A 108 -11.015 -10.764 -12.402 1.00 51.21 H new ATOM 1768 N PHE A 109 -11.767 -16.164 -13.484 1.00 25.43 N ATOM 1769 CA PHE A 109 -11.198 -17.368 -14.103 1.00 34.31 C ATOM 1770 C PHE A 109 -11.563 -17.500 -15.593 1.00 75.33 C ATOM 1771 O PHE A 109 -12.707 -17.779 -15.948 1.00 25.21 O ATOM 1772 CB PHE A 109 -11.647 -18.628 -13.350 1.00 41.10 C ATOM 1773 CG PHE A 109 -11.130 -19.912 -13.957 1.00 22.51 C ATOM 1774 CD1 PHE A 109 -9.779 -20.225 -13.899 1.00 45.20 C ATOM 1775 CD2 PHE A 109 -11.991 -20.802 -14.590 1.00 12.22 C ATOM 1776 CE1 PHE A 109 -9.297 -21.397 -14.455 1.00 62.31 C ATOM 1777 CE2 PHE A 109 -11.513 -21.974 -15.146 1.00 11.50 C ATOM 1778 CZ PHE A 109 -10.165 -22.271 -15.081 1.00 24.43 C ATOM 0 H PHE A 109 -12.653 -16.316 -13.002 1.00 25.43 H new ATOM 0 HA PHE A 109 -10.115 -17.266 -14.037 1.00 34.31 H new ATOM 0 HB2 PHE A 109 -11.309 -18.563 -12.316 1.00 41.10 H new ATOM 0 HB3 PHE A 109 -12.736 -18.659 -13.328 1.00 41.10 H new ATOM 0 HD1 PHE A 109 -9.095 -19.545 -13.413 1.00 45.20 H new ATOM 0 HD2 PHE A 109 -13.045 -20.575 -14.648 1.00 12.22 H new ATOM 0 HE1 PHE A 109 -8.244 -21.628 -14.400 1.00 62.31 H new ATOM 0 HE2 PHE A 109 -12.194 -22.658 -15.631 1.00 11.50 H new ATOM 0 HZ PHE A 109 -9.791 -23.185 -15.519 1.00 24.43 H new ATOM 1788 N LEU A 110 -10.574 -17.281 -16.454 1.00 3.51 N ATOM 1789 CA LEU A 110 -10.690 -17.597 -17.885 1.00 32.24 C ATOM 1790 C LEU A 110 -9.636 -18.648 -18.260 1.00 52.35 C ATOM 1791 O LEU A 110 -8.436 -18.391 -18.144 1.00 32.51 O ATOM 1792 CB LEU A 110 -10.517 -16.342 -18.762 1.00 41.42 C ATOM 1793 CG LEU A 110 -11.563 -15.229 -18.552 1.00 12.55 C ATOM 1794 CD1 LEU A 110 -11.283 -14.436 -17.278 1.00 72.12 C ATOM 1795 CD2 LEU A 110 -11.621 -14.303 -19.764 1.00 21.14 C ATOM 0 H LEU A 110 -9.673 -16.883 -16.188 1.00 3.51 H new ATOM 0 HA LEU A 110 -11.690 -17.990 -18.067 1.00 32.24 H new ATOM 0 HB2 LEU A 110 -9.527 -15.925 -18.576 1.00 41.42 H new ATOM 0 HB3 LEU A 110 -10.543 -16.646 -19.808 1.00 41.42 H new ATOM 0 HG LEU A 110 -12.536 -15.707 -18.439 1.00 12.55 H new ATOM 0 HD11 LEU A 110 -12.038 -13.659 -17.159 1.00 72.12 H new ATOM 0 HD12 LEU A 110 -11.313 -15.106 -16.419 1.00 72.12 H new ATOM 0 HD13 LEU A 110 -10.297 -13.976 -17.345 1.00 72.12 H new ATOM 0 HD21 LEU A 110 -12.366 -13.526 -19.593 1.00 21.14 H new ATOM 0 HD22 LEU A 110 -10.645 -13.843 -19.917 1.00 21.14 H new ATOM 0 HD23 LEU A 110 -11.894 -14.878 -20.649 1.00 21.14 H new ATOM 1807 N ASP A 111 -10.093 -19.826 -18.680 1.00 72.40 N ATOM 1808 CA ASP A 111 -9.205 -20.969 -18.945 1.00 63.11 C ATOM 1809 C ASP A 111 -8.278 -20.745 -20.158 1.00 12.25 C ATOM 1810 O ASP A 111 -7.080 -20.500 -20.000 1.00 63.22 O ATOM 1811 CB ASP A 111 -10.047 -22.241 -19.150 1.00 73.32 C ATOM 1812 CG ASP A 111 -9.200 -23.483 -19.393 1.00 53.32 C ATOM 1813 OD1 ASP A 111 -8.854 -23.759 -20.562 1.00 63.04 O ATOM 1814 OD2 ASP A 111 -8.874 -24.192 -18.416 1.00 22.32 O ATOM 0 H ASP A 111 -11.080 -20.020 -18.847 1.00 72.40 H new ATOM 0 HA ASP A 111 -8.558 -21.081 -18.075 1.00 63.11 H new ATOM 0 HB2 ASP A 111 -10.673 -22.401 -18.272 1.00 73.32 H new ATOM 0 HB3 ASP A 111 -10.717 -22.094 -19.997 1.00 73.32 H new ATOM 1819 N ALA A 112 -8.844 -20.814 -21.362 1.00 2.30 N ATOM 1820 CA ALA A 112 -8.057 -20.819 -22.608 1.00 31.31 C ATOM 1821 C ALA A 112 -7.572 -19.420 -23.040 1.00 60.25 C ATOM 1822 O ALA A 112 -7.449 -19.143 -24.235 1.00 72.33 O ATOM 1823 CB ALA A 112 -8.884 -21.457 -23.722 1.00 43.40 C ATOM 0 H ALA A 112 -9.852 -20.868 -21.508 1.00 2.30 H new ATOM 0 HA ALA A 112 -7.157 -21.402 -22.414 1.00 31.31 H new ATOM 0 HB1 ALA A 112 -8.306 -21.463 -24.646 1.00 43.40 H new ATOM 0 HB2 ALA A 112 -9.138 -22.480 -23.446 1.00 43.40 H new ATOM 0 HB3 ALA A 112 -9.799 -20.883 -23.870 1.00 43.40 H new ATOM 1829 N GLN A 113 -7.267 -18.551 -22.076 1.00 65.24 N ATOM 1830 CA GLN A 113 -6.761 -17.204 -22.381 1.00 32.32 C ATOM 1831 C GLN A 113 -5.658 -16.777 -21.394 1.00 44.23 C ATOM 1832 O GLN A 113 -5.948 -16.328 -20.278 1.00 54.45 O ATOM 1833 CB GLN A 113 -7.905 -16.172 -22.360 1.00 11.33 C ATOM 1834 CG GLN A 113 -9.026 -16.470 -23.351 1.00 54.41 C ATOM 1835 CD GLN A 113 -10.024 -15.332 -23.483 1.00 23.32 C ATOM 1836 OE1 GLN A 113 -10.256 -14.571 -22.549 1.00 71.21 O ATOM 1837 NE2 GLN A 113 -10.630 -15.211 -24.644 1.00 3.34 N ATOM 0 H GLN A 113 -7.359 -18.750 -21.080 1.00 65.24 H new ATOM 0 HA GLN A 113 -6.331 -17.240 -23.382 1.00 32.32 H new ATOM 0 HB2 GLN A 113 -8.324 -16.129 -21.355 1.00 11.33 H new ATOM 0 HB3 GLN A 113 -7.495 -15.186 -22.576 1.00 11.33 H new ATOM 0 HG2 GLN A 113 -8.592 -16.680 -24.329 1.00 54.41 H new ATOM 0 HG3 GLN A 113 -9.552 -17.371 -23.035 1.00 54.41 H new ATOM 0 HE21 GLN A 113 -10.415 -15.860 -25.401 1.00 3.34 H new ATOM 0 HE22 GLN A 113 -11.315 -14.468 -24.787 1.00 3.34 H new ATOM 1846 N GLU A 114 -4.396 -16.917 -21.811 1.00 41.31 N ATOM 1847 CA GLU A 114 -3.248 -16.538 -20.973 1.00 61.21 C ATOM 1848 C GLU A 114 -3.214 -15.024 -20.705 1.00 44.33 C ATOM 1849 O GLU A 114 -2.836 -14.584 -19.616 1.00 73.11 O ATOM 1850 CB GLU A 114 -1.928 -16.983 -21.624 1.00 13.13 C ATOM 1851 CG GLU A 114 -1.672 -16.367 -22.995 1.00 23.25 C ATOM 1852 CD GLU A 114 -0.295 -16.702 -23.546 1.00 21.23 C ATOM 1853 OE1 GLU A 114 -0.123 -17.793 -24.120 1.00 54.44 O ATOM 1854 OE2 GLU A 114 0.630 -15.877 -23.391 1.00 35.44 O ATOM 0 H GLU A 114 -4.140 -17.290 -22.725 1.00 41.31 H new ATOM 0 HA GLU A 114 -3.365 -17.049 -20.017 1.00 61.21 H new ATOM 0 HB2 GLU A 114 -1.103 -16.723 -20.961 1.00 13.13 H new ATOM 0 HB3 GLU A 114 -1.930 -18.069 -21.720 1.00 13.13 H new ATOM 0 HG2 GLU A 114 -2.432 -16.718 -23.693 1.00 23.25 H new ATOM 0 HG3 GLU A 114 -1.777 -15.284 -22.927 1.00 23.25 H new ATOM 1861 N LEU A 115 -3.625 -14.228 -21.694 1.00 73.12 N ATOM 1862 CA LEU A 115 -3.681 -12.770 -21.532 1.00 24.34 C ATOM 1863 C LEU A 115 -4.649 -12.396 -20.401 1.00 34.44 C ATOM 1864 O LEU A 115 -4.360 -11.531 -19.574 1.00 21.51 O ATOM 1865 CB LEU A 115 -4.112 -12.075 -22.836 1.00 41.24 C ATOM 1866 CG LEU A 115 -3.145 -12.196 -24.033 1.00 54.33 C ATOM 1867 CD1 LEU A 115 -1.712 -11.879 -23.615 1.00 44.32 C ATOM 1868 CD2 LEU A 115 -3.229 -13.574 -24.687 1.00 54.13 C ATOM 0 H LEU A 115 -3.922 -14.563 -22.610 1.00 73.12 H new ATOM 0 HA LEU A 115 -2.678 -12.427 -21.278 1.00 24.34 H new ATOM 0 HB2 LEU A 115 -5.078 -12.481 -23.136 1.00 41.24 H new ATOM 0 HB3 LEU A 115 -4.263 -11.016 -22.625 1.00 41.24 H new ATOM 0 HG LEU A 115 -3.453 -11.460 -24.776 1.00 54.33 H new ATOM 0 HD11 LEU A 115 -1.052 -11.972 -24.478 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -1.662 -10.861 -23.228 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -1.396 -12.577 -22.840 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -2.534 -13.622 -25.526 1.00 54.13 H new ATOM 0 HD22 LEU A 115 -2.969 -14.340 -23.956 1.00 54.13 H new ATOM 0 HD23 LEU A 115 -4.244 -13.745 -25.046 1.00 54.13 H new ATOM 1880 N ALA A 116 -5.787 -13.086 -20.357 1.00 12.22 N ATOM 1881 CA ALA A 116 -6.782 -12.891 -19.295 1.00 74.50 C ATOM 1882 C ALA A 116 -6.334 -13.521 -17.963 1.00 53.41 C ATOM 1883 O ALA A 116 -7.129 -13.661 -17.031 1.00 10.50 O ATOM 1884 CB ALA A 116 -8.121 -13.470 -19.728 1.00 54.51 C ATOM 0 H ALA A 116 -6.047 -13.790 -21.047 1.00 12.22 H new ATOM 0 HA ALA A 116 -6.885 -11.819 -19.129 1.00 74.50 H new ATOM 0 HB1 ALA A 116 -8.855 -13.322 -18.936 1.00 54.51 H new ATOM 0 HB2 ALA A 116 -8.459 -12.967 -20.634 1.00 54.51 H new ATOM 0 HB3 ALA A 116 -8.010 -14.536 -19.925 1.00 54.51 H new ATOM 1890 N LYS A 117 -5.071 -13.941 -17.894 1.00 5.11 N ATOM 1891 CA LYS A 117 -4.460 -14.418 -16.645 1.00 63.25 C ATOM 1892 C LYS A 117 -3.359 -13.447 -16.188 1.00 34.41 C ATOM 1893 O LYS A 117 -3.499 -12.761 -15.176 1.00 72.24 O ATOM 1894 CB LYS A 117 -3.863 -15.829 -16.835 1.00 13.23 C ATOM 1895 CG LYS A 117 -4.862 -16.917 -17.256 1.00 30.32 C ATOM 1896 CD LYS A 117 -5.644 -17.514 -16.079 1.00 70.12 C ATOM 1897 CE LYS A 117 -6.719 -16.574 -15.550 1.00 63.24 C ATOM 1898 NZ LYS A 117 -7.641 -16.129 -16.629 1.00 21.12 N ATOM 0 H LYS A 117 -4.442 -13.962 -18.696 1.00 5.11 H new ATOM 0 HA LYS A 117 -5.237 -14.466 -15.882 1.00 63.25 H new ATOM 0 HB2 LYS A 117 -3.075 -15.773 -17.586 1.00 13.23 H new ATOM 0 HB3 LYS A 117 -3.392 -16.134 -15.901 1.00 13.23 H new ATOM 0 HG2 LYS A 117 -5.566 -16.496 -17.974 1.00 30.32 H new ATOM 0 HG3 LYS A 117 -4.324 -17.715 -17.768 1.00 30.32 H new ATOM 0 HD2 LYS A 117 -6.108 -18.449 -16.393 1.00 70.12 H new ATOM 0 HD3 LYS A 117 -4.951 -17.757 -15.273 1.00 70.12 H new ATOM 0 HE2 LYS A 117 -7.289 -17.076 -14.769 1.00 63.24 H new ATOM 0 HE3 LYS A 117 -6.248 -15.704 -15.092 1.00 63.24 H new ATOM 0 HZ1 LYS A 117 -8.500 -15.723 -16.206 1.00 21.12 H new ATOM 0 HZ2 LYS A 117 -7.170 -15.410 -17.214 1.00 21.12 H new ATOM 0 HZ3 LYS A 117 -7.899 -16.943 -17.223 1.00 21.12 H new ATOM 1912 N ALA A 118 -2.278 -13.376 -16.969 1.00 43.24 N ATOM 1913 CA ALA A 118 -1.130 -12.517 -16.650 1.00 71.43 C ATOM 1914 C ALA A 118 -1.489 -11.025 -16.699 1.00 2.04 C ATOM 1915 O ALA A 118 -1.367 -10.318 -15.700 1.00 21.55 O ATOM 1916 CB ALA A 118 0.021 -12.818 -17.603 1.00 21.35 C ATOM 0 H ALA A 118 -2.172 -13.907 -17.834 1.00 43.24 H new ATOM 0 HA ALA A 118 -0.825 -12.739 -15.627 1.00 71.43 H new ATOM 0 HB1 ALA A 118 0.870 -12.178 -17.362 1.00 21.35 H new ATOM 0 HB2 ALA A 118 0.314 -13.863 -17.501 1.00 21.35 H new ATOM 0 HB3 ALA A 118 -0.297 -12.628 -18.628 1.00 21.35 H new ATOM 1922 N ALA A 119 -1.935 -10.548 -17.864 1.00 3.33 N ATOM 1923 CA ALA A 119 -2.290 -9.131 -18.034 1.00 53.34 C ATOM 1924 C ALA A 119 -3.415 -8.713 -17.076 1.00 2.45 C ATOM 1925 O ALA A 119 -3.399 -7.612 -16.518 1.00 12.31 O ATOM 1926 CB ALA A 119 -2.692 -8.854 -19.478 1.00 34.14 C ATOM 0 H ALA A 119 -2.060 -11.117 -18.702 1.00 3.33 H new ATOM 0 HA ALA A 119 -1.409 -8.536 -17.791 1.00 53.34 H new ATOM 0 HB1 ALA A 119 -2.952 -7.801 -19.588 1.00 34.14 H new ATOM 0 HB2 ALA A 119 -1.860 -9.093 -20.140 1.00 34.14 H new ATOM 0 HB3 ALA A 119 -3.553 -9.469 -19.741 1.00 34.14 H new ATOM 1932 N GLU A 120 -4.387 -9.606 -16.895 1.00 20.45 N ATOM 1933 CA GLU A 120 -5.506 -9.381 -15.969 1.00 42.11 C ATOM 1934 C GLU A 120 -5.005 -9.176 -14.525 1.00 31.24 C ATOM 1935 O GLU A 120 -5.302 -8.160 -13.888 1.00 45.34 O ATOM 1936 CB GLU A 120 -6.470 -10.578 -16.033 1.00 44.40 C ATOM 1937 CG GLU A 120 -7.751 -10.418 -15.213 1.00 12.24 C ATOM 1938 CD GLU A 120 -8.652 -9.302 -15.714 1.00 51.33 C ATOM 1939 OE1 GLU A 120 -9.049 -9.340 -16.901 1.00 3.41 O ATOM 1940 OE2 GLU A 120 -8.986 -8.390 -14.924 1.00 61.10 O ATOM 0 H GLU A 120 -4.425 -10.502 -17.381 1.00 20.45 H new ATOM 0 HA GLU A 120 -6.029 -8.473 -16.270 1.00 42.11 H new ATOM 0 HB2 GLU A 120 -6.742 -10.752 -17.074 1.00 44.40 H new ATOM 0 HB3 GLU A 120 -5.944 -11.468 -15.688 1.00 44.40 H new ATOM 0 HG2 GLU A 120 -8.304 -11.357 -15.230 1.00 12.24 H new ATOM 0 HG3 GLU A 120 -7.486 -10.223 -14.174 1.00 12.24 H new ATOM 1947 N GLU A 121 -4.229 -10.143 -14.023 1.00 33.33 N ATOM 1948 CA GLU A 121 -3.656 -10.066 -12.670 1.00 72.54 C ATOM 1949 C GLU A 121 -2.726 -8.852 -12.531 1.00 10.11 C ATOM 1950 O GLU A 121 -2.705 -8.187 -11.495 1.00 33.43 O ATOM 1951 CB GLU A 121 -2.882 -11.353 -12.340 1.00 32.35 C ATOM 1952 CG GLU A 121 -2.343 -11.404 -10.911 1.00 42.21 C ATOM 1953 CD GLU A 121 -1.487 -12.635 -10.648 1.00 15.41 C ATOM 1954 OE1 GLU A 121 -2.046 -13.747 -10.541 1.00 31.14 O ATOM 1955 OE2 GLU A 121 -0.248 -12.501 -10.543 1.00 62.20 O ATOM 0 H GLU A 121 -3.982 -10.991 -14.533 1.00 33.33 H new ATOM 0 HA GLU A 121 -4.480 -9.953 -11.966 1.00 72.54 H new ATOM 0 HB2 GLU A 121 -3.536 -12.210 -12.502 1.00 32.35 H new ATOM 0 HB3 GLU A 121 -2.049 -11.452 -13.036 1.00 32.35 H new ATOM 0 HG2 GLU A 121 -1.753 -10.508 -10.718 1.00 42.21 H new ATOM 0 HG3 GLU A 121 -3.179 -11.392 -10.211 1.00 42.21 H new ATOM 1962 N GLU A 122 -1.962 -8.573 -13.588 1.00 2.22 N ATOM 1963 CA GLU A 122 -1.063 -7.414 -13.626 1.00 53.14 C ATOM 1964 C GLU A 122 -1.818 -6.107 -13.326 1.00 42.15 C ATOM 1965 O GLU A 122 -1.367 -5.290 -12.518 1.00 35.51 O ATOM 1966 CB GLU A 122 -0.388 -7.329 -15.000 1.00 30.23 C ATOM 1967 CG GLU A 122 0.603 -6.179 -15.142 1.00 13.33 C ATOM 1968 CD GLU A 122 1.180 -6.092 -16.544 1.00 73.54 C ATOM 1969 OE1 GLU A 122 2.163 -6.804 -16.838 1.00 3.41 O ATOM 1970 OE2 GLU A 122 0.641 -5.321 -17.366 1.00 3.15 O ATOM 0 H GLU A 122 -1.947 -9.138 -14.437 1.00 2.22 H new ATOM 0 HA GLU A 122 -0.305 -7.545 -12.854 1.00 53.14 H new ATOM 0 HB2 GLU A 122 0.132 -8.267 -15.195 1.00 30.23 H new ATOM 0 HB3 GLU A 122 -1.158 -7.226 -15.764 1.00 30.23 H new ATOM 0 HG2 GLU A 122 0.106 -5.240 -14.896 1.00 13.33 H new ATOM 0 HG3 GLU A 122 1.413 -6.308 -14.424 1.00 13.33 H new ATOM 1977 N MET A 123 -2.972 -5.921 -13.975 1.00 42.45 N ATOM 1978 CA MET A 123 -3.820 -4.747 -13.730 1.00 13.14 C ATOM 1979 C MET A 123 -4.193 -4.633 -12.242 1.00 43.23 C ATOM 1980 O MET A 123 -4.050 -3.576 -11.630 1.00 63.13 O ATOM 1981 CB MET A 123 -5.100 -4.827 -14.576 1.00 50.15 C ATOM 1982 CG MET A 123 -4.866 -4.722 -16.078 1.00 50.12 C ATOM 1983 SD MET A 123 -4.216 -3.112 -16.574 1.00 33.02 S ATOM 1984 CE MET A 123 -4.165 -3.302 -18.357 1.00 12.42 C ATOM 0 H MET A 123 -3.341 -6.567 -14.673 1.00 42.45 H new ATOM 0 HA MET A 123 -3.252 -3.861 -14.015 1.00 13.14 H new ATOM 0 HB2 MET A 123 -5.604 -5.770 -14.364 1.00 50.15 H new ATOM 0 HB3 MET A 123 -5.775 -4.029 -14.269 1.00 50.15 H new ATOM 0 HG2 MET A 123 -4.169 -5.501 -16.388 1.00 50.12 H new ATOM 0 HG3 MET A 123 -5.804 -4.907 -16.601 1.00 50.12 H new ATOM 0 HE1 MET A 123 -3.784 -2.387 -18.810 1.00 12.42 H new ATOM 0 HE2 MET A 123 -3.511 -4.135 -18.616 1.00 12.42 H new ATOM 0 HE3 MET A 123 -5.170 -3.500 -18.731 1.00 12.42 H new ATOM 1994 N LEU A 124 -4.656 -5.741 -11.669 1.00 74.02 N ATOM 1995 CA LEU A 124 -5.065 -5.777 -10.261 1.00 1.24 C ATOM 1996 C LEU A 124 -3.879 -5.527 -9.317 1.00 2.30 C ATOM 1997 O LEU A 124 -4.014 -4.830 -8.310 1.00 3.24 O ATOM 1998 CB LEU A 124 -5.717 -7.127 -9.940 1.00 5.45 C ATOM 1999 CG LEU A 124 -6.954 -7.477 -10.785 1.00 61.44 C ATOM 2000 CD1 LEU A 124 -7.497 -8.847 -10.397 1.00 52.30 C ATOM 2001 CD2 LEU A 124 -8.034 -6.401 -10.641 1.00 74.30 C ATOM 0 H LEU A 124 -4.759 -6.631 -12.157 1.00 74.02 H new ATOM 0 HA LEU A 124 -5.788 -4.976 -10.104 1.00 1.24 H new ATOM 0 HB2 LEU A 124 -4.973 -7.912 -10.073 1.00 5.45 H new ATOM 0 HB3 LEU A 124 -6.002 -7.133 -8.888 1.00 5.45 H new ATOM 0 HG LEU A 124 -6.654 -7.513 -11.832 1.00 61.44 H new ATOM 0 HD11 LEU A 124 -8.372 -9.077 -11.005 1.00 52.30 H new ATOM 0 HD12 LEU A 124 -6.730 -9.603 -10.564 1.00 52.30 H new ATOM 0 HD13 LEU A 124 -7.778 -8.842 -9.344 1.00 52.30 H new ATOM 0 HD21 LEU A 124 -8.899 -6.670 -11.247 1.00 74.30 H new ATOM 0 HD22 LEU A 124 -8.334 -6.324 -9.596 1.00 74.30 H new ATOM 0 HD23 LEU A 124 -7.639 -5.442 -10.977 1.00 74.30 H new ATOM 2013 N TYR A 125 -2.720 -6.096 -9.649 1.00 24.12 N ATOM 2014 CA TYR A 125 -1.505 -5.912 -8.847 1.00 64.14 C ATOM 2015 C TYR A 125 -1.120 -4.431 -8.748 1.00 34.42 C ATOM 2016 O TYR A 125 -0.934 -3.896 -7.652 1.00 64.33 O ATOM 2017 CB TYR A 125 -0.339 -6.717 -9.445 1.00 34.31 C ATOM 2018 CG TYR A 125 0.988 -6.503 -8.727 1.00 14.02 C ATOM 2019 CD1 TYR A 125 1.258 -7.137 -7.518 1.00 73.51 C ATOM 2020 CD2 TYR A 125 1.965 -5.659 -9.253 1.00 43.23 C ATOM 2021 CE1 TYR A 125 2.454 -6.936 -6.857 1.00 30.14 C ATOM 2022 CE2 TYR A 125 3.165 -5.457 -8.596 1.00 4.44 C ATOM 2023 CZ TYR A 125 3.404 -6.098 -7.397 1.00 65.45 C ATOM 2024 OH TYR A 125 4.596 -5.899 -6.733 1.00 20.42 O ATOM 0 H TYR A 125 -2.594 -6.690 -10.469 1.00 24.12 H new ATOM 0 HA TYR A 125 -1.714 -6.278 -7.842 1.00 64.14 H new ATOM 0 HB2 TYR A 125 -0.590 -7.777 -9.417 1.00 34.31 H new ATOM 0 HB3 TYR A 125 -0.222 -6.445 -10.494 1.00 34.31 H new ATOM 0 HD1 TYR A 125 0.519 -7.798 -7.089 1.00 73.51 H new ATOM 0 HD2 TYR A 125 1.782 -5.154 -10.190 1.00 43.23 H new ATOM 0 HE1 TYR A 125 2.644 -7.435 -5.918 1.00 30.14 H new ATOM 0 HE2 TYR A 125 3.911 -4.801 -9.019 1.00 4.44 H new ATOM 0 HH TYR A 125 5.157 -5.282 -7.247 1.00 20.42 H new ATOM 2034 N LYS A 126 -1.001 -3.771 -9.895 1.00 41.34 N ATOM 2035 CA LYS A 126 -0.617 -2.357 -9.930 1.00 24.12 C ATOM 2036 C LYS A 126 -1.751 -1.457 -9.415 1.00 42.22 C ATOM 2037 O LYS A 126 -1.499 -0.376 -8.877 1.00 72.41 O ATOM 2038 CB LYS A 126 -0.199 -1.958 -11.350 1.00 5.50 C ATOM 2039 CG LYS A 126 -1.300 -2.112 -12.395 1.00 1.03 C ATOM 2040 CD LYS A 126 -0.749 -2.028 -13.816 1.00 44.44 C ATOM 2041 CE LYS A 126 -0.041 -0.704 -14.085 1.00 3.53 C ATOM 2042 NZ LYS A 126 0.589 -0.677 -15.429 1.00 63.05 N ATOM 0 H LYS A 126 -1.163 -4.187 -10.812 1.00 41.34 H new ATOM 0 HA LYS A 126 0.235 -2.218 -9.265 1.00 24.12 H new ATOM 0 HB2 LYS A 126 0.134 -0.920 -11.340 1.00 5.50 H new ATOM 0 HB3 LYS A 126 0.656 -2.564 -11.648 1.00 5.50 H new ATOM 0 HG2 LYS A 126 -1.802 -3.070 -12.256 1.00 1.03 H new ATOM 0 HG3 LYS A 126 -2.050 -1.335 -12.250 1.00 1.03 H new ATOM 0 HD2 LYS A 126 -0.053 -2.850 -13.983 1.00 44.44 H new ATOM 0 HD3 LYS A 126 -1.565 -2.152 -14.528 1.00 44.44 H new ATOM 0 HE2 LYS A 126 -0.757 0.114 -14.003 1.00 3.53 H new ATOM 0 HE3 LYS A 126 0.721 -0.538 -13.323 1.00 3.53 H new ATOM 0 HZ1 LYS A 126 1.060 0.239 -15.573 1.00 63.05 H new ATOM 0 HZ2 LYS A 126 1.291 -1.442 -15.499 1.00 63.05 H new ATOM 0 HZ3 LYS A 126 -0.141 -0.810 -16.157 1.00 63.05 H new ATOM 2056 N ASP A 127 -2.996 -1.911 -9.563 1.00 42.24 N ATOM 2057 CA ASP A 127 -4.150 -1.168 -9.049 1.00 40.11 C ATOM 2058 C ASP A 127 -4.142 -1.124 -7.514 1.00 12.23 C ATOM 2059 O ASP A 127 -4.263 -0.056 -6.917 1.00 53.22 O ATOM 2060 CB ASP A 127 -5.458 -1.791 -9.546 1.00 20.15 C ATOM 2061 CG ASP A 127 -6.669 -0.974 -9.132 1.00 63.41 C ATOM 2062 OD1 ASP A 127 -6.970 0.030 -9.812 1.00 44.04 O ATOM 2063 OD2 ASP A 127 -7.317 -1.320 -8.122 1.00 61.32 O ATOM 0 H ASP A 127 -3.232 -2.785 -10.032 1.00 42.24 H new ATOM 0 HA ASP A 127 -4.079 -0.147 -9.423 1.00 40.11 H new ATOM 0 HB2 ASP A 127 -5.430 -1.874 -10.632 1.00 20.15 H new ATOM 0 HB3 ASP A 127 -5.551 -2.803 -9.151 1.00 20.15 H new ATOM 2068 N MET A 128 -3.996 -2.287 -6.878 1.00 3.41 N ATOM 2069 CA MET A 128 -3.951 -2.348 -5.414 1.00 42.03 C ATOM 2070 C MET A 128 -2.659 -1.720 -4.870 1.00 14.52 C ATOM 2071 O MET A 128 -2.661 -1.124 -3.796 1.00 34.12 O ATOM 2072 CB MET A 128 -4.111 -3.791 -4.908 1.00 31.11 C ATOM 2073 CG MET A 128 -2.991 -4.739 -5.314 1.00 64.22 C ATOM 2074 SD MET A 128 -3.266 -6.417 -4.708 1.00 2.12 S ATOM 2075 CE MET A 128 -1.790 -7.248 -5.288 1.00 51.40 C ATOM 0 H MET A 128 -3.908 -3.190 -7.345 1.00 3.41 H new ATOM 0 HA MET A 128 -4.793 -1.766 -5.038 1.00 42.03 H new ATOM 0 HB2 MET A 128 -4.177 -3.774 -3.820 1.00 31.11 H new ATOM 0 HB3 MET A 128 -5.056 -4.188 -5.279 1.00 31.11 H new ATOM 0 HG2 MET A 128 -2.907 -4.756 -6.401 1.00 64.22 H new ATOM 0 HG3 MET A 128 -2.043 -4.365 -4.927 1.00 64.22 H new ATOM 0 HE1 MET A 128 -2.041 -7.888 -6.134 1.00 51.40 H new ATOM 0 HE2 MET A 128 -1.054 -6.507 -5.600 1.00 51.40 H new ATOM 0 HE3 MET A 128 -1.375 -7.856 -4.484 1.00 51.40 H new ATOM 2085 N GLN A 129 -1.561 -1.849 -5.619 1.00 63.51 N ATOM 2086 CA GLN A 129 -0.303 -1.169 -5.274 1.00 63.11 C ATOM 2087 C GLN A 129 -0.503 0.356 -5.261 1.00 54.41 C ATOM 2088 O GLN A 129 -0.018 1.056 -4.369 1.00 22.34 O ATOM 2089 CB GLN A 129 0.797 -1.549 -6.281 1.00 3.53 C ATOM 2090 CG GLN A 129 2.163 -0.925 -5.996 1.00 43.33 C ATOM 2091 CD GLN A 129 2.783 -1.416 -4.694 1.00 34.33 C ATOM 2092 OE1 GLN A 129 3.509 -2.404 -4.666 1.00 33.41 O ATOM 2093 NE2 GLN A 129 2.499 -0.727 -3.607 1.00 54.51 N ATOM 0 H GLN A 129 -1.514 -2.415 -6.466 1.00 63.51 H new ATOM 0 HA GLN A 129 0.003 -1.488 -4.278 1.00 63.11 H new ATOM 0 HB2 GLN A 129 0.903 -2.634 -6.292 1.00 3.53 H new ATOM 0 HB3 GLN A 129 0.477 -1.250 -7.279 1.00 3.53 H new ATOM 0 HG2 GLN A 129 2.838 -1.151 -6.821 1.00 43.33 H new ATOM 0 HG3 GLN A 129 2.060 0.159 -5.956 1.00 43.33 H new ATOM 0 HE21 GLN A 129 1.891 0.090 -3.665 1.00 54.51 H new ATOM 0 HE22 GLN A 129 2.887 -1.011 -2.707 1.00 54.51 H new ATOM 2102 N LYS A 130 -1.228 0.850 -6.266 1.00 61.35 N ATOM 2103 CA LYS A 130 -1.583 2.271 -6.367 1.00 1.10 C ATOM 2104 C LYS A 130 -2.517 2.699 -5.224 1.00 71.42 C ATOM 2105 O LYS A 130 -2.204 3.606 -4.452 1.00 10.33 O ATOM 2106 CB LYS A 130 -2.270 2.531 -7.715 1.00 74.50 C ATOM 2107 CG LYS A 130 -2.679 3.985 -7.946 1.00 1.43 C ATOM 2108 CD LYS A 130 -3.550 4.133 -9.194 1.00 25.13 C ATOM 2109 CE LYS A 130 -2.856 3.592 -10.438 1.00 12.50 C ATOM 2110 NZ LYS A 130 -3.712 3.711 -11.644 1.00 23.54 N ATOM 0 H LYS A 130 -1.586 0.280 -7.032 1.00 61.35 H new ATOM 0 HA LYS A 130 -0.667 2.857 -6.293 1.00 1.10 H new ATOM 0 HB2 LYS A 130 -1.598 2.224 -8.516 1.00 74.50 H new ATOM 0 HB3 LYS A 130 -3.157 1.902 -7.784 1.00 74.50 H new ATOM 0 HG2 LYS A 130 -3.223 4.353 -7.076 1.00 1.43 H new ATOM 0 HG3 LYS A 130 -1.787 4.603 -8.049 1.00 1.43 H new ATOM 0 HD2 LYS A 130 -4.491 3.604 -9.045 1.00 25.13 H new ATOM 0 HD3 LYS A 130 -3.795 5.185 -9.343 1.00 25.13 H new ATOM 0 HE2 LYS A 130 -1.924 4.134 -10.599 1.00 12.50 H new ATOM 0 HE3 LYS A 130 -2.593 2.546 -10.281 1.00 12.50 H new ATOM 0 HZ1 LYS A 130 -3.204 3.332 -12.469 1.00 23.54 H new ATOM 0 HZ2 LYS A 130 -4.590 3.173 -11.501 1.00 23.54 H new ATOM 0 HZ3 LYS A 130 -3.942 4.712 -11.809 1.00 23.54 H new ATOM 2124 N ASP A 131 -3.666 2.035 -5.129 1.00 42.54 N ATOM 2125 CA ASP A 131 -4.671 2.339 -4.108 1.00 22.24 C ATOM 2126 C ASP A 131 -4.064 2.293 -2.695 1.00 34.23 C ATOM 2127 O ASP A 131 -4.285 3.192 -1.892 1.00 51.44 O ATOM 2128 CB ASP A 131 -5.838 1.346 -4.235 1.00 54.42 C ATOM 2129 CG ASP A 131 -7.023 1.664 -3.332 1.00 45.41 C ATOM 2130 OD1 ASP A 131 -7.220 2.845 -2.975 1.00 24.43 O ATOM 2131 OD2 ASP A 131 -7.787 0.725 -3.005 1.00 65.31 O ATOM 0 H ASP A 131 -3.928 1.273 -5.754 1.00 42.54 H new ATOM 0 HA ASP A 131 -5.040 3.352 -4.267 1.00 22.24 H new ATOM 0 HB2 ASP A 131 -6.177 1.331 -5.271 1.00 54.42 H new ATOM 0 HB3 ASP A 131 -5.476 0.344 -4.003 1.00 54.42 H new ATOM 2136 N ALA A 132 -3.265 1.261 -2.419 1.00 64.13 N ATOM 2137 CA ALA A 132 -2.644 1.080 -1.098 1.00 15.52 C ATOM 2138 C ALA A 132 -1.864 2.319 -0.636 1.00 13.32 C ATOM 2139 O ALA A 132 -2.076 2.813 0.471 1.00 51.22 O ATOM 2140 CB ALA A 132 -1.726 -0.135 -1.107 1.00 51.53 C ATOM 0 H ALA A 132 -3.030 0.533 -3.093 1.00 64.13 H new ATOM 0 HA ALA A 132 -3.456 0.924 -0.387 1.00 15.52 H new ATOM 0 HB1 ALA A 132 -1.273 -0.256 -0.123 1.00 51.53 H new ATOM 0 HB2 ALA A 132 -2.304 -1.026 -1.353 1.00 51.53 H new ATOM 0 HB3 ALA A 132 -0.943 0.006 -1.852 1.00 51.53 H new ATOM 2146 N VAL A 133 -0.964 2.820 -1.482 1.00 13.45 N ATOM 2147 CA VAL A 133 -0.153 3.989 -1.123 1.00 40.23 C ATOM 2148 C VAL A 133 -1.026 5.257 -0.995 1.00 34.00 C ATOM 2149 O VAL A 133 -0.696 6.175 -0.244 1.00 30.54 O ATOM 2150 CB VAL A 133 1.000 4.221 -2.138 1.00 43.32 C ATOM 2151 CG1 VAL A 133 0.467 4.632 -3.510 1.00 11.44 C ATOM 2152 CG2 VAL A 133 1.999 5.248 -1.601 1.00 13.34 C ATOM 0 H VAL A 133 -0.777 2.442 -2.411 1.00 13.45 H new ATOM 0 HA VAL A 133 0.295 3.782 -0.151 1.00 40.23 H new ATOM 0 HB VAL A 133 1.525 3.274 -2.266 1.00 43.32 H new ATOM 0 HG11 VAL A 133 1.302 4.786 -4.194 1.00 11.44 H new ATOM 0 HG12 VAL A 133 -0.181 3.846 -3.899 1.00 11.44 H new ATOM 0 HG13 VAL A 133 -0.101 5.558 -3.417 1.00 11.44 H new ATOM 0 HG21 VAL A 133 2.797 5.394 -2.329 1.00 13.34 H new ATOM 0 HG22 VAL A 133 1.489 6.195 -1.427 1.00 13.34 H new ATOM 0 HG23 VAL A 133 2.424 4.887 -0.664 1.00 13.34 H new ATOM 2162 N GLN A 134 -2.154 5.289 -1.713 1.00 4.53 N ATOM 2163 CA GLN A 134 -3.129 6.382 -1.576 1.00 55.13 C ATOM 2164 C GLN A 134 -3.912 6.242 -0.256 1.00 54.31 C ATOM 2165 O GLN A 134 -4.285 7.232 0.372 1.00 41.21 O ATOM 2166 CB GLN A 134 -4.105 6.397 -2.765 1.00 65.51 C ATOM 2167 CG GLN A 134 -3.426 6.458 -4.132 1.00 31.35 C ATOM 2168 CD GLN A 134 -2.547 7.684 -4.328 1.00 14.52 C ATOM 2169 OE1 GLN A 134 -2.793 8.748 -3.771 1.00 73.04 O ATOM 2170 NE2 GLN A 134 -1.512 7.540 -5.131 1.00 42.41 N ATOM 0 H GLN A 134 -2.416 4.575 -2.393 1.00 4.53 H new ATOM 0 HA GLN A 134 -2.581 7.324 -1.565 1.00 55.13 H new ATOM 0 HB2 GLN A 134 -4.728 5.503 -2.721 1.00 65.51 H new ATOM 0 HB3 GLN A 134 -4.770 7.254 -2.664 1.00 65.51 H new ATOM 0 HG2 GLN A 134 -2.819 5.563 -4.266 1.00 31.35 H new ATOM 0 HG3 GLN A 134 -4.191 6.444 -4.908 1.00 31.35 H new ATOM 0 HE21 GLN A 134 -1.335 6.641 -5.579 1.00 42.41 H new ATOM 0 HE22 GLN A 134 -0.888 8.328 -5.304 1.00 42.41 H new ATOM 2179 N GLN A 135 -4.153 4.994 0.153 1.00 13.13 N ATOM 2180 CA GLN A 135 -4.788 4.699 1.444 1.00 40.35 C ATOM 2181 C GLN A 135 -3.863 5.118 2.600 1.00 63.44 C ATOM 2182 O GLN A 135 -4.313 5.676 3.606 1.00 43.21 O ATOM 2183 CB GLN A 135 -5.120 3.199 1.544 1.00 43.32 C ATOM 2184 CG GLN A 135 -6.088 2.697 0.471 1.00 54.20 C ATOM 2185 CD GLN A 135 -7.542 3.051 0.741 1.00 71.33 C ATOM 2186 OE1 GLN A 135 -7.850 4.032 1.403 1.00 72.54 O ATOM 2187 NE2 GLN A 135 -8.450 2.264 0.205 1.00 41.13 N ATOM 0 H GLN A 135 -3.917 4.166 -0.394 1.00 13.13 H new ATOM 0 HA GLN A 135 -5.715 5.267 1.515 1.00 40.35 H new ATOM 0 HB2 GLN A 135 -4.194 2.628 1.477 1.00 43.32 H new ATOM 0 HB3 GLN A 135 -5.548 2.998 2.526 1.00 43.32 H new ATOM 0 HG2 GLN A 135 -5.795 3.114 -0.493 1.00 54.20 H new ATOM 0 HG3 GLN A 135 -5.997 1.614 0.391 1.00 54.20 H new ATOM 0 HE21 GLN A 135 -8.163 1.453 -0.342 1.00 41.13 H new ATOM 0 HE22 GLN A 135 -9.441 2.465 0.337 1.00 41.13 H new ATOM 2196 N ILE A 136 -2.565 4.836 2.446 1.00 63.05 N ATOM 2197 CA ILE A 136 -1.544 5.305 3.393 1.00 73.33 C ATOM 2198 C ILE A 136 -1.536 6.839 3.443 1.00 34.41 C ATOM 2199 O ILE A 136 -1.622 7.440 4.514 1.00 72.44 O ATOM 2200 CB ILE A 136 -0.127 4.812 2.998 1.00 4.40 C ATOM 2201 CG1 ILE A 136 -0.083 3.277 2.926 1.00 21.01 C ATOM 2202 CG2 ILE A 136 0.922 5.335 3.982 1.00 14.51 C ATOM 2203 CD1 ILE A 136 1.252 2.728 2.464 1.00 75.34 C ATOM 0 H ILE A 136 -2.194 4.284 1.673 1.00 63.05 H new ATOM 0 HA ILE A 136 -1.797 4.896 4.371 1.00 73.33 H new ATOM 0 HB ILE A 136 0.105 5.206 2.009 1.00 4.40 H new ATOM 0 HG12 ILE A 136 -0.313 2.869 3.910 1.00 21.01 H new ATOM 0 HG13 ILE A 136 -0.863 2.931 2.247 1.00 21.01 H new ATOM 0 HG21 ILE A 136 1.908 4.977 3.686 1.00 14.51 H new ATOM 0 HG22 ILE A 136 0.914 6.425 3.977 1.00 14.51 H new ATOM 0 HG23 ILE A 136 0.691 4.976 4.985 1.00 14.51 H new ATOM 0 HD11 ILE A 136 1.208 1.639 2.438 1.00 75.34 H new ATOM 0 HD12 ILE A 136 1.475 3.106 1.466 1.00 75.34 H new ATOM 0 HD13 ILE A 136 2.034 3.043 3.155 1.00 75.34 H new ATOM 2215 N LEU A 137 -1.439 7.448 2.261 1.00 15.12 N ATOM 2216 CA LEU A 137 -1.522 8.905 2.097 1.00 31.34 C ATOM 2217 C LEU A 137 -2.686 9.490 2.916 1.00 13.41 C ATOM 2218 O LEU A 137 -2.500 10.377 3.751 1.00 52.04 O ATOM 2219 CB LEU A 137 -1.730 9.225 0.606 1.00 14.11 C ATOM 2220 CG LEU A 137 -1.815 10.715 0.236 1.00 1.11 C ATOM 2221 CD1 LEU A 137 -0.451 11.379 0.364 1.00 31.04 C ATOM 2222 CD2 LEU A 137 -2.382 10.894 -1.174 1.00 44.43 C ATOM 0 H LEU A 137 -1.300 6.945 1.385 1.00 15.12 H new ATOM 0 HA LEU A 137 -0.596 9.353 2.457 1.00 31.34 H new ATOM 0 HB2 LEU A 137 -0.911 8.778 0.042 1.00 14.11 H new ATOM 0 HB3 LEU A 137 -2.647 8.737 0.276 1.00 14.11 H new ATOM 0 HG LEU A 137 -2.495 11.202 0.935 1.00 1.11 H new ATOM 0 HD11 LEU A 137 -0.533 12.433 0.098 1.00 31.04 H new ATOM 0 HD12 LEU A 137 -0.098 11.291 1.392 1.00 31.04 H new ATOM 0 HD13 LEU A 137 0.256 10.890 -0.306 1.00 31.04 H new ATOM 0 HD21 LEU A 137 -2.433 11.956 -1.414 1.00 44.43 H new ATOM 0 HD22 LEU A 137 -1.736 10.390 -1.893 1.00 44.43 H new ATOM 0 HD23 LEU A 137 -3.382 10.463 -1.221 1.00 44.43 H new ATOM 2234 N ARG A 138 -3.879 8.957 2.673 1.00 23.21 N ATOM 2235 CA ARG A 138 -5.100 9.403 3.345 1.00 21.24 C ATOM 2236 C ARG A 138 -5.021 9.235 4.876 1.00 12.02 C ATOM 2237 O ARG A 138 -5.370 10.147 5.624 1.00 71.53 O ATOM 2238 CB ARG A 138 -6.294 8.622 2.779 1.00 22.01 C ATOM 2239 CG ARG A 138 -7.648 9.013 3.362 1.00 53.23 C ATOM 2240 CD ARG A 138 -8.780 8.213 2.722 1.00 73.24 C ATOM 2241 NE ARG A 138 -8.907 8.484 1.287 1.00 70.03 N ATOM 2242 CZ ARG A 138 -8.611 7.631 0.337 1.00 71.24 C ATOM 2243 NH1 ARG A 138 -8.104 6.475 0.618 1.00 35.24 N ATOM 2244 NH2 ARG A 138 -8.816 7.941 -0.897 1.00 71.40 N ATOM 0 H ARG A 138 -4.029 8.202 2.004 1.00 23.21 H new ATOM 0 HA ARG A 138 -5.224 10.469 3.155 1.00 21.24 H new ATOM 0 HB2 ARG A 138 -6.324 8.765 1.699 1.00 22.01 H new ATOM 0 HB3 ARG A 138 -6.131 7.559 2.956 1.00 22.01 H new ATOM 0 HG2 ARG A 138 -7.645 8.845 4.439 1.00 53.23 H new ATOM 0 HG3 ARG A 138 -7.819 10.078 3.206 1.00 53.23 H new ATOM 0 HD2 ARG A 138 -8.602 7.149 2.875 1.00 73.24 H new ATOM 0 HD3 ARG A 138 -9.719 8.454 3.220 1.00 73.24 H new ATOM 0 HE ARG A 138 -9.251 9.403 1.008 1.00 70.03 H new ATOM 0 HH11 ARG A 138 -7.930 6.217 1.589 1.00 35.24 H new ATOM 0 HH12 ARG A 138 -7.879 5.821 -0.132 1.00 35.24 H new ATOM 0 HH21 ARG A 138 -9.209 8.851 -1.136 1.00 71.40 H new ATOM 0 HH22 ARG A 138 -8.585 7.276 -1.635 1.00 71.40 H new ATOM 2258 N GLN A 139 -4.554 8.072 5.340 1.00 23.12 N ATOM 2259 CA GLN A 139 -4.466 7.802 6.785 1.00 3.02 C ATOM 2260 C GLN A 139 -3.440 8.722 7.478 1.00 32.13 C ATOM 2261 O GLN A 139 -3.716 9.284 8.537 1.00 5.24 O ATOM 2262 CB GLN A 139 -4.124 6.326 7.055 1.00 40.45 C ATOM 2263 CG GLN A 139 -4.073 5.978 8.543 1.00 21.53 C ATOM 2264 CD GLN A 139 -3.842 4.497 8.823 1.00 43.04 C ATOM 2265 OE1 GLN A 139 -4.299 3.972 9.832 1.00 34.12 O ATOM 2266 NE2 GLN A 139 -3.133 3.811 7.944 1.00 54.54 N ATOM 0 H GLN A 139 -4.233 7.307 4.746 1.00 23.12 H new ATOM 0 HA GLN A 139 -5.448 8.015 7.208 1.00 3.02 H new ATOM 0 HB2 GLN A 139 -4.865 5.694 6.567 1.00 40.45 H new ATOM 0 HB3 GLN A 139 -3.160 6.095 6.602 1.00 40.45 H new ATOM 0 HG2 GLN A 139 -3.277 6.555 9.014 1.00 21.53 H new ATOM 0 HG3 GLN A 139 -5.009 6.285 9.010 1.00 21.53 H new ATOM 0 HE21 GLN A 139 -2.765 4.274 7.113 1.00 54.54 H new ATOM 0 HE22 GLN A 139 -2.954 2.819 8.096 1.00 54.54 H new ATOM 2275 N VAL A 140 -2.259 8.873 6.879 1.00 62.01 N ATOM 2276 CA VAL A 140 -1.228 9.774 7.418 1.00 64.23 C ATOM 2277 C VAL A 140 -1.715 11.233 7.405 1.00 63.35 C ATOM 2278 O VAL A 140 -1.380 12.026 8.285 1.00 24.22 O ATOM 2279 CB VAL A 140 0.099 9.667 6.618 1.00 43.44 C ATOM 2280 CG1 VAL A 140 1.164 10.608 7.186 1.00 65.43 C ATOM 2281 CG2 VAL A 140 0.612 8.227 6.609 1.00 64.12 C ATOM 0 H VAL A 140 -1.988 8.387 6.024 1.00 62.01 H new ATOM 0 HA VAL A 140 -1.040 9.465 8.446 1.00 64.23 H new ATOM 0 HB VAL A 140 -0.108 9.968 5.591 1.00 43.44 H new ATOM 0 HG11 VAL A 140 2.082 10.511 6.606 1.00 65.43 H new ATOM 0 HG12 VAL A 140 0.807 11.636 7.132 1.00 65.43 H new ATOM 0 HG13 VAL A 140 1.363 10.347 8.226 1.00 65.43 H new ATOM 0 HG21 VAL A 140 1.542 8.176 6.043 1.00 64.12 H new ATOM 0 HG22 VAL A 140 0.791 7.898 7.633 1.00 64.12 H new ATOM 0 HG23 VAL A 140 -0.131 7.579 6.145 1.00 64.12 H new ATOM 2291 N SER A 141 -2.523 11.571 6.407 1.00 52.14 N ATOM 2292 CA SER A 141 -3.101 12.916 6.290 1.00 62.11 C ATOM 2293 C SER A 141 -4.250 13.138 7.286 1.00 75.32 C ATOM 2294 O SER A 141 -4.686 14.271 7.491 1.00 60.42 O ATOM 2295 CB SER A 141 -3.610 13.146 4.857 1.00 1.23 C ATOM 2296 OG SER A 141 -4.165 14.447 4.687 1.00 55.42 O ATOM 0 H SER A 141 -2.797 10.932 5.660 1.00 52.14 H new ATOM 0 HA SER A 141 -2.313 13.631 6.525 1.00 62.11 H new ATOM 0 HB2 SER A 141 -2.788 13.009 4.155 1.00 1.23 H new ATOM 0 HB3 SER A 141 -4.364 12.397 4.616 1.00 1.23 H new ATOM 0 HG SER A 141 -3.719 15.075 5.293 1.00 55.42 H new ATOM 2302 N ALA A 142 -4.739 12.066 7.914 1.00 4.52 N ATOM 2303 CA ALA A 142 -5.907 12.172 8.801 1.00 32.43 C ATOM 2304 C ALA A 142 -5.755 11.395 10.123 1.00 63.43 C ATOM 2305 O ALA A 142 -6.741 11.205 10.838 1.00 14.32 O ATOM 2306 CB ALA A 142 -7.158 11.702 8.062 1.00 62.55 C ATOM 0 H ALA A 142 -4.353 11.126 7.829 1.00 4.52 H new ATOM 0 HA ALA A 142 -5.995 13.224 9.074 1.00 32.43 H new ATOM 0 HB1 ALA A 142 -8.022 11.782 8.722 1.00 62.55 H new ATOM 0 HB2 ALA A 142 -7.316 12.324 7.181 1.00 62.55 H new ATOM 0 HB3 ALA A 142 -7.031 10.664 7.755 1.00 62.55 H new ATOM 2312 N PHE A 143 -4.535 10.971 10.475 1.00 5.22 N ATOM 2313 CA PHE A 143 -4.326 10.216 11.728 1.00 11.43 C ATOM 2314 C PHE A 143 -4.803 11.016 12.955 1.00 32.32 C ATOM 2315 O PHE A 143 -5.240 10.442 13.953 1.00 0.22 O ATOM 2316 CB PHE A 143 -2.847 9.809 11.903 1.00 4.35 C ATOM 2317 CG PHE A 143 -1.911 10.949 12.244 1.00 31.22 C ATOM 2318 CD1 PHE A 143 -1.723 11.348 13.563 1.00 13.14 C ATOM 2319 CD2 PHE A 143 -1.217 11.613 11.248 1.00 31.34 C ATOM 2320 CE1 PHE A 143 -0.867 12.388 13.872 1.00 73.23 C ATOM 2321 CE2 PHE A 143 -0.361 12.654 11.553 1.00 2.24 C ATOM 2322 CZ PHE A 143 -0.186 13.041 12.866 1.00 31.35 C ATOM 0 H PHE A 143 -3.690 11.131 9.926 1.00 5.22 H new ATOM 0 HA PHE A 143 -4.926 9.309 11.655 1.00 11.43 H new ATOM 0 HB2 PHE A 143 -2.782 9.057 12.689 1.00 4.35 H new ATOM 0 HB3 PHE A 143 -2.503 9.338 10.982 1.00 4.35 H new ATOM 0 HD1 PHE A 143 -2.252 10.839 14.355 1.00 13.14 H new ATOM 0 HD2 PHE A 143 -1.346 11.314 10.218 1.00 31.34 H new ATOM 0 HE1 PHE A 143 -0.731 12.689 14.900 1.00 73.23 H new ATOM 0 HE2 PHE A 143 0.171 13.165 10.764 1.00 2.24 H new ATOM 0 HZ PHE A 143 0.483 13.854 13.105 1.00 31.35 H new ATOM 2332 N THR A 144 -4.713 12.345 12.871 1.00 22.11 N ATOM 2333 CA THR A 144 -5.150 13.230 13.964 1.00 61.25 C ATOM 2334 C THR A 144 -6.669 13.157 14.180 1.00 64.32 C ATOM 2335 O THR A 144 -7.168 13.425 15.274 1.00 52.51 O ATOM 2336 CB THR A 144 -4.742 14.705 13.704 1.00 25.13 C ATOM 2337 OG1 THR A 144 -5.160 15.541 14.795 1.00 54.14 O ATOM 2338 CG2 THR A 144 -5.340 15.229 12.400 1.00 10.54 C ATOM 0 H THR A 144 -4.342 12.837 12.058 1.00 22.11 H new ATOM 0 HA THR A 144 -4.647 12.877 14.864 1.00 61.25 H new ATOM 0 HB THR A 144 -3.656 14.734 13.620 1.00 25.13 H new ATOM 0 HG1 THR A 144 -4.895 16.468 14.618 1.00 54.14 H new ATOM 0 HG21 THR A 144 -5.034 16.264 12.250 1.00 10.54 H new ATOM 0 HG22 THR A 144 -4.986 14.621 11.567 1.00 10.54 H new ATOM 0 HG23 THR A 144 -6.427 15.176 12.451 1.00 10.54 H new