USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=30 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 63 LYS NZ :NH3+ 173:sc= 1.25 (180deg=0.494) USER MOD Set 1.2: A 125 TYR OH : rot 71:sc= 1.32 USER MOD Set 2.1: A 37 THR OG1 : rot -71:sc= 1.31 USER MOD Set 2.2: A 38 HIS :FLIP no HD1:sc= 0 F(o=0.7,f=1.3) USER MOD Single : A 10 SER OG : rot 2:sc= 1.14 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= -0.0381 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 -44:sc= 0.797 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.187 F(o=-0.71,f=-0.19) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= 1.05 (180deg=-1.11) USER MOD Single : A 50 SER OG : rot 139:sc= 0.914 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.579 F(o=-1.3,f=-0.58) USER MOD Single : A 58 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.029) USER MOD Single : A 67 SER OG : rot -170:sc= -1.44 USER MOD Single : A 69 SER OG : rot 180:sc= -2.58! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN :FLIP amide:sc= -1.99! C(o=-3.8!,f=-2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.48) USER MOD Single : A 104 THR OG1 : rot 29:sc= 0.209 USER MOD Single : A 113 GLN : amide:sc= -0.185 K(o=-0.18,f=-0.85) USER MOD Single : A 117 LYS NZ :NH3+ -168:sc= -0.0296 (180deg=-0.2) USER MOD Single : A 123 MET CE :methyl 164:sc= -0.106 (180deg=-0.47) USER MOD Single : A 126 LYS NZ :NH3+ 162:sc= -0.0683 (180deg=-0.364) USER MOD Single : A 128 MET CE :methyl -169:sc= -0.481 (180deg=-0.692) USER MOD Single : A 129 GLN : amide:sc= -1.99 X(o=-2,f=-1.9) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.057 F(o=-0.86,f=-0.057) USER MOD Single : A 135 GLN :FLIP amide:sc=-0.00724 F(o=-2!,f=-0.0072) USER MOD Single : A 139 GLN : amide:sc= 0.0174 K(o=0.017,f=-1.4) USER MOD Single : A 141 SER OG : rot -73:sc= 0.271 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -4.214 18.785 -1.888 1.00 52.01 N ATOM 137 CA VAL A 9 -5.014 17.558 -2.061 1.00 32.33 C ATOM 138 C VAL A 9 -5.020 16.709 -0.774 1.00 23.14 C ATOM 139 O VAL A 9 -5.986 16.003 -0.478 1.00 1.41 O ATOM 140 CB VAL A 9 -4.509 16.706 -3.262 1.00 22.41 C ATOM 141 CG1 VAL A 9 -3.068 16.242 -3.051 1.00 34.10 C ATOM 142 CG2 VAL A 9 -5.435 15.514 -3.520 1.00 15.33 C ATOM 0 HA VAL A 9 -6.035 17.873 -2.275 1.00 32.33 H new ATOM 0 HB VAL A 9 -4.525 17.344 -4.146 1.00 22.41 H new ATOM 0 HG11 VAL A 9 -2.747 15.650 -3.908 1.00 34.10 H new ATOM 0 HG12 VAL A 9 -2.418 17.111 -2.946 1.00 34.10 H new ATOM 0 HG13 VAL A 9 -3.010 15.634 -2.148 1.00 34.10 H new ATOM 0 HG21 VAL A 9 -5.058 14.937 -4.364 1.00 15.33 H new ATOM 0 HG22 VAL A 9 -5.469 14.881 -2.633 1.00 15.33 H new ATOM 0 HG23 VAL A 9 -6.438 15.875 -3.746 1.00 15.33 H new ATOM 152 N SER A 10 -3.925 16.784 -0.022 1.00 64.33 N ATOM 153 CA SER A 10 -3.836 16.174 1.312 1.00 74.13 C ATOM 154 C SER A 10 -3.013 17.062 2.253 1.00 23.23 C ATOM 155 O SER A 10 -1.784 17.003 2.263 1.00 33.43 O ATOM 156 CB SER A 10 -3.226 14.764 1.241 1.00 41.21 C ATOM 157 OG SER A 10 -4.092 13.862 0.564 1.00 20.21 O ATOM 0 H SER A 10 -3.075 17.266 -0.314 1.00 64.33 H new ATOM 0 HA SER A 10 -4.848 16.084 1.707 1.00 74.13 H new ATOM 0 HB2 SER A 10 -2.266 14.806 0.726 1.00 41.21 H new ATOM 0 HB3 SER A 10 -3.032 14.398 2.249 1.00 41.21 H new ATOM 0 HG SER A 10 -4.889 14.342 0.257 1.00 20.21 H new ATOM 163 N GLU A 11 -3.700 17.906 3.020 1.00 65.21 N ATOM 164 CA GLU A 11 -3.039 18.869 3.911 1.00 54.34 C ATOM 165 C GLU A 11 -2.426 18.197 5.150 1.00 11.01 C ATOM 166 O GLU A 11 -2.968 17.232 5.691 1.00 64.31 O ATOM 167 CB GLU A 11 -4.027 19.961 4.353 1.00 2.40 C ATOM 168 CG GLU A 11 -5.282 19.420 5.035 1.00 54.53 C ATOM 169 CD GLU A 11 -6.146 20.509 5.657 1.00 54.13 C ATOM 170 OE1 GLU A 11 -6.298 21.585 5.042 1.00 74.33 O ATOM 171 OE2 GLU A 11 -6.703 20.281 6.754 1.00 14.15 O ATOM 0 H GLU A 11 -4.719 17.946 3.045 1.00 65.21 H new ATOM 0 HA GLU A 11 -2.226 19.317 3.340 1.00 54.34 H new ATOM 0 HB2 GLU A 11 -3.519 20.642 5.036 1.00 2.40 H new ATOM 0 HB3 GLU A 11 -4.322 20.545 3.481 1.00 2.40 H new ATOM 0 HG2 GLU A 11 -5.875 18.868 4.305 1.00 54.53 H new ATOM 0 HG3 GLU A 11 -4.989 18.711 5.810 1.00 54.53 H new ATOM 178 N LEU A 12 -1.284 18.721 5.584 1.00 62.13 N ATOM 179 CA LEU A 12 -0.614 18.255 6.801 1.00 61.31 C ATOM 180 C LEU A 12 0.205 19.393 7.447 1.00 55.21 C ATOM 181 O LEU A 12 0.768 20.237 6.743 1.00 22.51 O ATOM 182 CB LEU A 12 0.271 17.023 6.499 1.00 22.45 C ATOM 183 CG LEU A 12 0.957 16.984 5.112 1.00 74.14 C ATOM 184 CD1 LEU A 12 1.999 18.088 4.958 1.00 51.10 C ATOM 185 CD2 LEU A 12 1.588 15.613 4.864 1.00 41.35 C ATOM 0 H LEU A 12 -0.795 19.478 5.106 1.00 62.13 H new ATOM 0 HA LEU A 12 -1.376 17.950 7.518 1.00 61.31 H new ATOM 0 HB2 LEU A 12 1.046 16.965 7.264 1.00 22.45 H new ATOM 0 HB3 LEU A 12 -0.344 16.129 6.600 1.00 22.45 H new ATOM 0 HG LEU A 12 0.185 17.159 4.363 1.00 74.14 H new ATOM 0 HD11 LEU A 12 2.455 18.023 3.970 1.00 51.10 H new ATOM 0 HD12 LEU A 12 1.519 19.060 5.073 1.00 51.10 H new ATOM 0 HD13 LEU A 12 2.768 17.971 5.721 1.00 51.10 H new ATOM 0 HD21 LEU A 12 2.066 15.604 3.884 1.00 41.35 H new ATOM 0 HD22 LEU A 12 2.334 15.411 5.633 1.00 41.35 H new ATOM 0 HD23 LEU A 12 0.815 14.845 4.898 1.00 41.35 H new ATOM 197 N PRO A 13 0.258 19.452 8.796 1.00 14.41 N ATOM 198 CA PRO A 13 0.998 20.510 9.516 1.00 71.42 C ATOM 199 C PRO A 13 2.523 20.423 9.318 1.00 11.21 C ATOM 200 O PRO A 13 3.180 21.429 9.041 1.00 44.35 O ATOM 201 CB PRO A 13 0.620 20.272 10.989 1.00 34.55 C ATOM 202 CG PRO A 13 0.219 18.835 11.056 1.00 22.53 C ATOM 203 CD PRO A 13 -0.407 18.515 9.724 1.00 64.31 C ATOM 0 HA PRO A 13 0.737 21.503 9.150 1.00 71.42 H new ATOM 0 HB2 PRO A 13 1.461 20.479 11.651 1.00 34.55 H new ATOM 0 HB3 PRO A 13 -0.197 20.925 11.298 1.00 34.55 H new ATOM 0 HG2 PRO A 13 1.083 18.197 11.244 1.00 22.53 H new ATOM 0 HG3 PRO A 13 -0.486 18.664 11.869 1.00 22.53 H new ATOM 0 HD2 PRO A 13 -0.235 17.477 9.438 1.00 64.31 H new ATOM 0 HD3 PRO A 13 -1.486 18.666 9.741 1.00 64.31 H new ATOM 211 N PHE A 14 3.074 19.218 9.450 1.00 12.31 N ATOM 212 CA PHE A 14 4.521 18.999 9.313 1.00 73.43 C ATOM 213 C PHE A 14 4.999 19.168 7.860 1.00 22.51 C ATOM 214 O PHE A 14 4.399 18.632 6.929 1.00 44.41 O ATOM 215 CB PHE A 14 4.903 17.610 9.857 1.00 53.12 C ATOM 216 CG PHE A 14 3.947 16.501 9.477 1.00 60.14 C ATOM 217 CD1 PHE A 14 4.079 15.823 8.273 1.00 10.23 C ATOM 218 CD2 PHE A 14 2.919 16.130 10.337 1.00 70.40 C ATOM 219 CE1 PHE A 14 3.206 14.805 7.935 1.00 62.51 C ATOM 220 CE2 PHE A 14 2.046 15.112 10.001 1.00 63.25 C ATOM 221 CZ PHE A 14 2.191 14.449 8.800 1.00 65.05 C ATOM 0 H PHE A 14 2.541 18.372 9.653 1.00 12.31 H new ATOM 0 HA PHE A 14 5.027 19.763 9.904 1.00 73.43 H new ATOM 0 HB2 PHE A 14 5.899 17.354 9.495 1.00 53.12 H new ATOM 0 HB3 PHE A 14 4.963 17.664 10.944 1.00 53.12 H new ATOM 0 HD1 PHE A 14 4.873 16.094 7.592 1.00 10.23 H new ATOM 0 HD2 PHE A 14 2.801 16.644 11.280 1.00 70.40 H new ATOM 0 HE1 PHE A 14 3.319 14.288 6.993 1.00 62.51 H new ATOM 0 HE2 PHE A 14 1.251 14.836 10.678 1.00 63.25 H new ATOM 0 HZ PHE A 14 1.511 13.652 8.537 1.00 65.05 H new ATOM 231 N GLU A 15 6.090 19.913 7.678 1.00 73.42 N ATOM 232 CA GLU A 15 6.606 20.215 6.334 1.00 74.33 C ATOM 233 C GLU A 15 7.806 19.329 5.951 1.00 11.51 C ATOM 234 O GLU A 15 8.307 19.409 4.829 1.00 61.31 O ATOM 235 CB GLU A 15 7.025 21.689 6.243 1.00 42.35 C ATOM 236 CG GLU A 15 8.183 22.057 7.170 1.00 32.20 C ATOM 237 CD GLU A 15 8.796 23.409 6.841 1.00 10.32 C ATOM 238 OE1 GLU A 15 9.625 23.476 5.905 1.00 72.54 O ATOM 239 OE2 GLU A 15 8.468 24.405 7.515 1.00 12.43 O ATOM 0 H GLU A 15 6.635 20.319 8.439 1.00 73.42 H new ATOM 0 HA GLU A 15 5.796 20.008 5.635 1.00 74.33 H new ATOM 0 HB2 GLU A 15 7.309 21.914 5.215 1.00 42.35 H new ATOM 0 HB3 GLU A 15 6.167 22.317 6.482 1.00 42.35 H new ATOM 0 HG2 GLU A 15 7.828 22.065 8.201 1.00 32.20 H new ATOM 0 HG3 GLU A 15 8.953 21.289 7.104 1.00 32.20 H new ATOM 246 N ARG A 16 8.273 18.498 6.876 1.00 31.23 N ATOM 247 CA ARG A 16 9.452 17.656 6.624 1.00 51.54 C ATOM 248 C ARG A 16 9.351 16.300 7.341 1.00 65.21 C ATOM 249 O ARG A 16 9.260 16.227 8.570 1.00 64.51 O ATOM 250 CB ARG A 16 10.726 18.409 7.043 1.00 5.24 C ATOM 251 CG ARG A 16 10.668 18.976 8.458 1.00 12.32 C ATOM 252 CD ARG A 16 11.813 19.944 8.736 1.00 61.14 C ATOM 253 NE ARG A 16 11.755 20.478 10.098 1.00 64.33 N ATOM 254 CZ ARG A 16 11.211 21.621 10.420 1.00 31.52 C ATOM 255 NH1 ARG A 16 10.744 22.406 9.504 1.00 23.43 N ATOM 256 NH2 ARG A 16 11.160 21.986 11.660 1.00 10.41 N ATOM 0 H ARG A 16 7.862 18.385 7.803 1.00 31.23 H new ATOM 0 HA ARG A 16 9.498 17.445 5.556 1.00 51.54 H new ATOM 0 HB2 ARG A 16 11.578 17.733 6.967 1.00 5.24 H new ATOM 0 HB3 ARG A 16 10.902 19.225 6.342 1.00 5.24 H new ATOM 0 HG2 ARG A 16 9.717 19.489 8.604 1.00 12.32 H new ATOM 0 HG3 ARG A 16 10.703 18.158 9.177 1.00 12.32 H new ATOM 0 HD2 ARG A 16 12.765 19.434 8.586 1.00 61.14 H new ATOM 0 HD3 ARG A 16 11.776 20.766 8.021 1.00 61.14 H new ATOM 0 HE ARG A 16 12.167 19.920 10.846 1.00 64.33 H new ATOM 0 HH11 ARG A 16 10.799 22.134 8.523 1.00 23.43 H new ATOM 0 HH12 ARG A 16 10.321 23.297 9.763 1.00 23.43 H new ATOM 0 HH21 ARG A 16 11.545 21.381 12.386 1.00 10.41 H new ATOM 0 HH22 ARG A 16 10.735 22.879 11.912 1.00 10.41 H new ATOM 270 N VAL A 17 9.377 15.225 6.557 1.00 52.04 N ATOM 271 CA VAL A 17 9.189 13.869 7.085 1.00 70.31 C ATOM 272 C VAL A 17 10.384 12.953 6.777 1.00 1.11 C ATOM 273 O VAL A 17 11.029 13.081 5.739 1.00 50.44 O ATOM 274 CB VAL A 17 7.904 13.217 6.512 1.00 12.44 C ATOM 275 CG1 VAL A 17 6.666 14.010 6.918 1.00 22.45 C ATOM 276 CG2 VAL A 17 7.986 13.095 4.990 1.00 42.44 C ATOM 0 H VAL A 17 9.527 15.264 5.549 1.00 52.04 H new ATOM 0 HA VAL A 17 9.099 13.976 8.166 1.00 70.31 H new ATOM 0 HB VAL A 17 7.822 12.214 6.931 1.00 12.44 H new ATOM 0 HG11 VAL A 17 5.777 13.534 6.505 1.00 22.45 H new ATOM 0 HG12 VAL A 17 6.591 14.036 8.005 1.00 22.45 H new ATOM 0 HG13 VAL A 17 6.744 15.027 6.535 1.00 22.45 H new ATOM 0 HG21 VAL A 17 7.073 12.635 4.612 1.00 42.44 H new ATOM 0 HG22 VAL A 17 8.101 14.086 4.551 1.00 42.44 H new ATOM 0 HG23 VAL A 17 8.842 12.477 4.720 1.00 42.44 H new ATOM 286 N TYR A 18 10.672 12.037 7.694 1.00 53.32 N ATOM 287 CA TYR A 18 11.694 11.007 7.487 1.00 1.03 C ATOM 288 C TYR A 18 11.031 9.627 7.392 1.00 1.31 C ATOM 289 O TYR A 18 10.106 9.316 8.145 1.00 54.53 O ATOM 290 CB TYR A 18 12.725 11.038 8.628 1.00 3.40 C ATOM 291 CG TYR A 18 13.761 9.921 8.570 1.00 54.21 C ATOM 292 CD1 TYR A 18 14.832 9.980 7.681 1.00 73.32 C ATOM 293 CD2 TYR A 18 13.671 8.809 9.405 1.00 54.11 C ATOM 294 CE1 TYR A 18 15.777 8.970 7.628 1.00 32.01 C ATOM 295 CE2 TYR A 18 14.612 7.796 9.356 1.00 64.03 C ATOM 296 CZ TYR A 18 15.661 7.880 8.466 1.00 5.43 C ATOM 297 OH TYR A 18 16.603 6.870 8.414 1.00 4.11 O ATOM 0 H TYR A 18 10.208 11.984 8.601 1.00 53.32 H new ATOM 0 HA TYR A 18 12.217 11.208 6.552 1.00 1.03 H new ATOM 0 HB2 TYR A 18 13.242 11.998 8.609 1.00 3.40 H new ATOM 0 HB3 TYR A 18 12.197 10.979 9.580 1.00 3.40 H new ATOM 0 HD1 TYR A 18 14.927 10.830 7.021 1.00 73.32 H new ATOM 0 HD2 TYR A 18 12.851 8.737 10.104 1.00 54.11 H new ATOM 0 HE1 TYR A 18 16.602 9.035 6.934 1.00 32.01 H new ATOM 0 HE2 TYR A 18 14.525 6.943 10.012 1.00 64.03 H new ATOM 0 HH TYR A 18 16.376 6.177 9.069 1.00 4.11 H new ATOM 307 N ILE A 19 11.490 8.809 6.455 1.00 42.22 N ATOM 308 CA ILE A 19 10.906 7.483 6.227 1.00 52.24 C ATOM 309 C ILE A 19 11.939 6.369 6.463 1.00 43.33 C ATOM 310 O ILE A 19 13.147 6.595 6.355 1.00 2.52 O ATOM 311 CB ILE A 19 10.349 7.378 4.781 1.00 63.42 C ATOM 312 CG1 ILE A 19 9.702 6.000 4.524 1.00 61.31 C ATOM 313 CG2 ILE A 19 11.460 7.650 3.769 1.00 5.42 C ATOM 314 CD1 ILE A 19 9.145 5.830 3.124 1.00 33.30 C ATOM 0 H ILE A 19 12.268 9.036 5.835 1.00 42.22 H new ATOM 0 HA ILE A 19 10.091 7.355 6.940 1.00 52.24 H new ATOM 0 HB ILE A 19 9.571 8.132 4.662 1.00 63.42 H new ATOM 0 HG12 ILE A 19 10.444 5.222 4.705 1.00 61.31 H new ATOM 0 HG13 ILE A 19 8.898 5.848 5.244 1.00 61.31 H new ATOM 0 HG21 ILE A 19 11.058 7.574 2.759 1.00 5.42 H new ATOM 0 HG22 ILE A 19 11.858 8.652 3.927 1.00 5.42 H new ATOM 0 HG23 ILE A 19 12.257 6.918 3.899 1.00 5.42 H new ATOM 0 HD11 ILE A 19 8.708 4.836 3.024 1.00 33.30 H new ATOM 0 HD12 ILE A 19 8.378 6.583 2.944 1.00 33.30 H new ATOM 0 HD13 ILE A 19 9.948 5.948 2.396 1.00 33.30 H new ATOM 326 N THR A 20 11.462 5.173 6.805 1.00 60.03 N ATOM 327 CA THR A 20 12.342 4.009 6.965 1.00 15.33 C ATOM 328 C THR A 20 11.591 2.691 6.726 1.00 1.53 C ATOM 329 O THR A 20 10.388 2.586 6.985 1.00 23.45 O ATOM 330 CB THR A 20 13.007 3.974 8.365 1.00 23.12 C ATOM 331 OG1 THR A 20 13.834 2.808 8.493 1.00 21.54 O ATOM 332 CG2 THR A 20 11.966 3.995 9.483 1.00 20.31 C ATOM 0 H THR A 20 10.475 4.982 6.977 1.00 60.03 H new ATOM 0 HA THR A 20 13.122 4.113 6.210 1.00 15.33 H new ATOM 0 HB THR A 20 13.623 4.869 8.460 1.00 23.12 H new ATOM 0 HG1 THR A 20 14.250 2.798 9.380 1.00 21.54 H new ATOM 0 HG21 THR A 20 12.469 3.969 10.449 1.00 20.31 H new ATOM 0 HG22 THR A 20 11.370 4.905 9.408 1.00 20.31 H new ATOM 0 HG23 THR A 20 11.315 3.126 9.390 1.00 20.31 H new ATOM 340 N ALA A 21 12.309 1.693 6.217 1.00 11.10 N ATOM 341 CA ALA A 21 11.730 0.378 5.923 1.00 0.24 C ATOM 342 C ALA A 21 12.662 -0.749 6.399 1.00 33.31 C ATOM 343 O ALA A 21 13.814 -0.828 5.969 1.00 12.42 O ATOM 344 CB ALA A 21 11.457 0.249 4.426 1.00 14.15 C ATOM 0 H ALA A 21 13.302 1.768 5.997 1.00 11.10 H new ATOM 0 HA ALA A 21 10.787 0.287 6.462 1.00 0.24 H new ATOM 0 HB1 ALA A 21 11.027 -0.731 4.218 1.00 14.15 H new ATOM 0 HB2 ALA A 21 10.758 1.025 4.115 1.00 14.15 H new ATOM 0 HB3 ALA A 21 12.391 0.360 3.875 1.00 14.15 H new ATOM 350 N PRO A 22 12.164 -1.659 7.264 1.00 41.45 N ATOM 351 CA PRO A 22 12.992 -2.701 7.909 1.00 3.14 C ATOM 352 C PRO A 22 13.768 -3.586 6.915 1.00 22.35 C ATOM 353 O PRO A 22 14.938 -3.902 7.137 1.00 2.12 O ATOM 354 CB PRO A 22 11.968 -3.543 8.698 1.00 22.51 C ATOM 355 CG PRO A 22 10.643 -3.195 8.105 1.00 1.43 C ATOM 356 CD PRO A 22 10.756 -1.758 7.681 1.00 43.42 C ATOM 0 HA PRO A 22 13.771 -2.251 8.525 1.00 3.14 H new ATOM 0 HB2 PRO A 22 12.176 -4.609 8.602 1.00 22.51 H new ATOM 0 HB3 PRO A 22 11.999 -3.307 9.762 1.00 22.51 H new ATOM 0 HG2 PRO A 22 10.413 -3.838 7.255 1.00 1.43 H new ATOM 0 HG3 PRO A 22 9.841 -3.328 8.831 1.00 1.43 H new ATOM 0 HD2 PRO A 22 10.073 -1.521 6.865 1.00 43.42 H new ATOM 0 HD3 PRO A 22 10.526 -1.074 8.498 1.00 43.42 H new ATOM 364 N ALA A 23 13.110 -3.992 5.831 1.00 30.20 N ATOM 365 CA ALA A 23 13.738 -4.861 4.823 1.00 50.34 C ATOM 366 C ALA A 23 13.812 -4.190 3.443 1.00 21.02 C ATOM 367 O ALA A 23 14.036 -4.859 2.434 1.00 4.42 O ATOM 368 CB ALA A 23 12.974 -6.178 4.732 1.00 74.05 C ATOM 0 H ALA A 23 12.144 -3.737 5.623 1.00 30.20 H new ATOM 0 HA ALA A 23 14.763 -5.052 5.141 1.00 50.34 H new ATOM 0 HB1 ALA A 23 13.442 -6.819 3.985 1.00 74.05 H new ATOM 0 HB2 ALA A 23 12.992 -6.677 5.701 1.00 74.05 H new ATOM 0 HB3 ALA A 23 11.941 -5.980 4.445 1.00 74.05 H new ATOM 374 N GLY A 24 13.648 -2.865 3.402 1.00 30.32 N ATOM 375 CA GLY A 24 13.650 -2.146 2.127 1.00 21.24 C ATOM 376 C GLY A 24 12.592 -2.657 1.149 1.00 43.11 C ATOM 377 O GLY A 24 12.903 -3.369 0.193 1.00 40.42 O ATOM 0 H GLY A 24 13.514 -2.276 4.224 1.00 30.32 H new ATOM 0 HA2 GLY A 24 13.481 -1.086 2.314 1.00 21.24 H new ATOM 0 HA3 GLY A 24 14.634 -2.236 1.668 1.00 21.24 H new ATOM 381 N LEU A 25 11.336 -2.289 1.384 1.00 63.23 N ATOM 382 CA LEU A 25 10.219 -2.775 0.566 1.00 74.34 C ATOM 383 C LEU A 25 9.869 -1.782 -0.557 1.00 11.41 C ATOM 384 O LEU A 25 10.132 -0.583 -0.441 1.00 22.14 O ATOM 385 CB LEU A 25 8.970 -3.017 1.436 1.00 3.32 C ATOM 386 CG LEU A 25 9.157 -3.940 2.660 1.00 73.11 C ATOM 387 CD1 LEU A 25 9.870 -3.212 3.797 1.00 34.21 C ATOM 388 CD2 LEU A 25 7.812 -4.487 3.130 1.00 41.01 C ATOM 0 H LEU A 25 11.061 -1.655 2.134 1.00 63.23 H new ATOM 0 HA LEU A 25 10.536 -3.715 0.116 1.00 74.34 H new ATOM 0 HB2 LEU A 25 8.606 -2.052 1.788 1.00 3.32 H new ATOM 0 HB3 LEU A 25 8.190 -3.441 0.804 1.00 3.32 H new ATOM 0 HG LEU A 25 9.784 -4.778 2.356 1.00 73.11 H new ATOM 0 HD11 LEU A 25 9.987 -3.887 4.645 1.00 34.21 H new ATOM 0 HD12 LEU A 25 10.852 -2.881 3.458 1.00 34.21 H new ATOM 0 HD13 LEU A 25 9.281 -2.347 4.101 1.00 34.21 H new ATOM 0 HD21 LEU A 25 7.964 -5.135 3.993 1.00 41.01 H new ATOM 0 HD22 LEU A 25 7.160 -3.659 3.408 1.00 41.01 H new ATOM 0 HD23 LEU A 25 7.350 -5.058 2.325 1.00 41.01 H new ATOM 400 N THR A 26 9.256 -2.282 -1.633 1.00 74.01 N ATOM 401 CA THR A 26 8.828 -1.429 -2.758 1.00 42.21 C ATOM 402 C THR A 26 7.852 -0.344 -2.297 1.00 2.45 C ATOM 403 O THR A 26 7.985 0.823 -2.667 1.00 3.04 O ATOM 404 CB THR A 26 8.143 -2.252 -3.874 1.00 61.23 C ATOM 405 OG1 THR A 26 6.996 -2.935 -3.346 1.00 35.13 O ATOM 406 CG2 THR A 26 9.107 -3.266 -4.481 1.00 2.14 C ATOM 0 H THR A 26 9.042 -3.272 -1.754 1.00 74.01 H new ATOM 0 HA THR A 26 9.735 -0.969 -3.151 1.00 42.21 H new ATOM 0 HB THR A 26 7.830 -1.562 -4.658 1.00 61.23 H new ATOM 0 HG1 THR A 26 6.567 -3.453 -4.059 1.00 35.13 H new ATOM 0 HG21 THR A 26 8.598 -3.830 -5.263 1.00 2.14 H new ATOM 0 HG22 THR A 26 9.962 -2.744 -4.909 1.00 2.14 H new ATOM 0 HG23 THR A 26 9.451 -3.950 -3.706 1.00 2.14 H new ATOM 414 N ILE A 27 6.884 -0.750 -1.473 1.00 51.45 N ATOM 415 CA ILE A 27 5.878 0.163 -0.905 1.00 52.30 C ATOM 416 C ILE A 27 6.510 1.467 -0.366 1.00 55.21 C ATOM 417 O ILE A 27 5.913 2.539 -0.458 1.00 14.11 O ATOM 418 CB ILE A 27 5.086 -0.547 0.231 1.00 33.44 C ATOM 419 CG1 ILE A 27 3.920 0.327 0.734 1.00 23.41 C ATOM 420 CG2 ILE A 27 6.011 -0.930 1.386 1.00 54.40 C ATOM 421 CD1 ILE A 27 2.801 0.496 -0.275 1.00 54.13 C ATOM 0 H ILE A 27 6.771 -1.720 -1.178 1.00 51.45 H new ATOM 0 HA ILE A 27 5.198 0.434 -1.713 1.00 52.30 H new ATOM 0 HB ILE A 27 4.663 -1.461 -0.185 1.00 33.44 H new ATOM 0 HG12 ILE A 27 3.513 -0.115 1.643 1.00 23.41 H new ATOM 0 HG13 ILE A 27 4.305 1.310 1.003 1.00 23.41 H new ATOM 0 HG21 ILE A 27 5.433 -1.424 2.167 1.00 54.40 H new ATOM 0 HG22 ILE A 27 6.785 -1.607 1.023 1.00 54.40 H new ATOM 0 HG23 ILE A 27 6.476 -0.032 1.793 1.00 54.40 H new ATOM 0 HD11 ILE A 27 2.018 1.123 0.152 1.00 54.13 H new ATOM 0 HD12 ILE A 27 3.192 0.967 -1.177 1.00 54.13 H new ATOM 0 HD13 ILE A 27 2.387 -0.481 -0.526 1.00 54.13 H new ATOM 433 N GLY A 28 7.728 1.366 0.177 1.00 22.20 N ATOM 434 CA GLY A 28 8.430 2.541 0.691 1.00 74.42 C ATOM 435 C GLY A 28 8.859 3.506 -0.413 1.00 41.43 C ATOM 436 O GLY A 28 8.709 4.722 -0.281 1.00 52.12 O ATOM 0 H GLY A 28 8.242 0.490 0.270 1.00 22.20 H new ATOM 0 HA2 GLY A 28 7.783 3.066 1.394 1.00 74.42 H new ATOM 0 HA3 GLY A 28 9.310 2.218 1.247 1.00 74.42 H new ATOM 440 N SER A 29 9.384 2.954 -1.507 1.00 21.32 N ATOM 441 CA SER A 29 9.802 3.758 -2.670 1.00 64.01 C ATOM 442 C SER A 29 8.639 4.600 -3.208 1.00 53.13 C ATOM 443 O SER A 29 8.779 5.806 -3.435 1.00 63.14 O ATOM 444 CB SER A 29 10.340 2.851 -3.786 1.00 24.11 C ATOM 445 OG SER A 29 10.608 3.587 -4.970 1.00 23.34 O ATOM 0 H SER A 29 9.533 1.951 -1.618 1.00 21.32 H new ATOM 0 HA SER A 29 10.594 4.430 -2.339 1.00 64.01 H new ATOM 0 HB2 SER A 29 11.252 2.358 -3.448 1.00 24.11 H new ATOM 0 HB3 SER A 29 9.614 2.066 -4.000 1.00 24.11 H new ATOM 0 HG SER A 29 10.950 2.982 -5.661 1.00 23.34 H new ATOM 451 N ASP A 30 7.493 3.953 -3.411 1.00 71.21 N ATOM 452 CA ASP A 30 6.274 4.647 -3.824 1.00 35.31 C ATOM 453 C ASP A 30 5.842 5.677 -2.764 1.00 32.15 C ATOM 454 O ASP A 30 5.506 6.812 -3.095 1.00 53.51 O ATOM 455 CB ASP A 30 5.147 3.636 -4.067 1.00 73.30 C ATOM 456 CG ASP A 30 5.476 2.653 -5.180 1.00 4.14 C ATOM 457 OD1 ASP A 30 6.256 1.712 -4.938 1.00 60.43 O ATOM 458 OD2 ASP A 30 4.946 2.814 -6.298 1.00 45.42 O ATOM 0 H ASP A 30 7.383 2.946 -3.296 1.00 71.21 H new ATOM 0 HA ASP A 30 6.482 5.179 -4.753 1.00 35.31 H new ATOM 0 HB2 ASP A 30 4.952 3.086 -3.146 1.00 73.30 H new ATOM 0 HB3 ASP A 30 4.231 4.171 -4.318 1.00 73.30 H new ATOM 463 N LEU A 31 5.879 5.273 -1.491 1.00 51.35 N ATOM 464 CA LEU A 31 5.464 6.139 -0.379 1.00 3.51 C ATOM 465 C LEU A 31 6.206 7.487 -0.394 1.00 0.54 C ATOM 466 O LEU A 31 5.580 8.548 -0.311 1.00 75.10 O ATOM 467 CB LEU A 31 5.692 5.422 0.958 1.00 43.13 C ATOM 468 CG LEU A 31 5.160 6.155 2.201 1.00 34.42 C ATOM 469 CD1 LEU A 31 3.650 6.358 2.102 1.00 4.54 C ATOM 470 CD2 LEU A 31 5.520 5.391 3.475 1.00 75.44 C ATOM 0 H LEU A 31 6.194 4.347 -1.202 1.00 51.35 H new ATOM 0 HA LEU A 31 4.401 6.349 -0.501 1.00 3.51 H new ATOM 0 HB2 LEU A 31 5.223 4.440 0.908 1.00 43.13 H new ATOM 0 HB3 LEU A 31 6.762 5.258 1.085 1.00 43.13 H new ATOM 0 HG LEU A 31 5.634 7.136 2.247 1.00 34.42 H new ATOM 0 HD11 LEU A 31 3.294 6.878 2.991 1.00 4.54 H new ATOM 0 HD12 LEU A 31 3.420 6.952 1.217 1.00 4.54 H new ATOM 0 HD13 LEU A 31 3.157 5.389 2.027 1.00 4.54 H new ATOM 0 HD21 LEU A 31 5.134 5.927 4.342 1.00 75.44 H new ATOM 0 HD22 LEU A 31 5.079 4.395 3.439 1.00 75.44 H new ATOM 0 HD23 LEU A 31 6.604 5.306 3.554 1.00 75.44 H new ATOM 482 N GLU A 32 7.535 7.439 -0.513 1.00 30.45 N ATOM 483 CA GLU A 32 8.347 8.664 -0.593 1.00 62.05 C ATOM 484 C GLU A 32 7.840 9.597 -1.703 1.00 41.02 C ATOM 485 O GLU A 32 7.675 10.802 -1.498 1.00 1.03 O ATOM 486 CB GLU A 32 9.829 8.332 -0.841 1.00 61.35 C ATOM 487 CG GLU A 32 10.506 7.593 0.309 1.00 61.50 C ATOM 488 CD GLU A 32 12.020 7.496 0.145 1.00 50.43 C ATOM 489 OE1 GLU A 32 12.709 8.522 0.333 1.00 1.41 O ATOM 490 OE2 GLU A 32 12.530 6.399 -0.173 1.00 32.41 O ATOM 0 H GLU A 32 8.072 6.573 -0.556 1.00 30.45 H new ATOM 0 HA GLU A 32 8.253 9.173 0.366 1.00 62.05 H new ATOM 0 HB2 GLU A 32 9.908 7.726 -1.744 1.00 61.35 H new ATOM 0 HB3 GLU A 32 10.370 9.259 -1.031 1.00 61.35 H new ATOM 0 HG2 GLU A 32 10.279 8.103 1.245 1.00 61.50 H new ATOM 0 HG3 GLU A 32 10.089 6.589 0.384 1.00 61.50 H new ATOM 497 N ARG A 33 7.571 9.022 -2.873 1.00 5.40 N ATOM 498 CA ARG A 33 7.113 9.793 -4.032 1.00 1.34 C ATOM 499 C ARG A 33 5.683 10.324 -3.830 1.00 72.44 C ATOM 500 O ARG A 33 5.374 11.451 -4.216 1.00 24.32 O ATOM 501 CB ARG A 33 7.187 8.929 -5.297 1.00 54.14 C ATOM 502 CG ARG A 33 8.587 8.384 -5.573 1.00 52.42 C ATOM 503 CD ARG A 33 8.635 7.530 -6.835 1.00 40.44 C ATOM 504 NE ARG A 33 9.967 6.967 -7.063 1.00 64.01 N ATOM 505 CZ ARG A 33 10.622 7.060 -8.189 1.00 32.34 C ATOM 506 NH1 ARG A 33 10.136 7.736 -9.182 1.00 73.22 N ATOM 507 NH2 ARG A 33 11.775 6.490 -8.308 1.00 32.21 N ATOM 0 H ARG A 33 7.662 8.021 -3.046 1.00 5.40 H new ATOM 0 HA ARG A 33 7.771 10.655 -4.145 1.00 1.34 H new ATOM 0 HB2 ARG A 33 6.492 8.095 -5.200 1.00 54.14 H new ATOM 0 HB3 ARG A 33 6.859 9.520 -6.152 1.00 54.14 H new ATOM 0 HG2 ARG A 33 9.285 9.215 -5.672 1.00 52.42 H new ATOM 0 HG3 ARG A 33 8.918 7.789 -4.721 1.00 52.42 H new ATOM 0 HD2 ARG A 33 7.908 6.722 -6.754 1.00 40.44 H new ATOM 0 HD3 ARG A 33 8.345 8.135 -7.694 1.00 40.44 H new ATOM 0 HE ARG A 33 10.413 6.470 -6.292 1.00 64.01 H new ATOM 0 HH11 ARG A 33 9.233 8.202 -9.089 1.00 73.22 H new ATOM 0 HH12 ARG A 33 10.656 7.802 -10.057 1.00 73.22 H new ATOM 0 HH21 ARG A 33 12.170 5.970 -7.524 1.00 32.21 H new ATOM 0 HH22 ARG A 33 12.290 6.560 -9.185 1.00 32.21 H new ATOM 521 N VAL A 34 4.819 9.513 -3.222 1.00 31.33 N ATOM 522 CA VAL A 34 3.434 9.914 -2.951 1.00 63.23 C ATOM 523 C VAL A 34 3.375 11.186 -2.088 1.00 71.42 C ATOM 524 O VAL A 34 2.726 12.166 -2.458 1.00 62.23 O ATOM 525 CB VAL A 34 2.638 8.774 -2.263 1.00 61.41 C ATOM 526 CG1 VAL A 34 1.257 9.252 -1.814 1.00 1.02 C ATOM 527 CG2 VAL A 34 2.503 7.573 -3.197 1.00 45.21 C ATOM 0 H VAL A 34 5.052 8.572 -2.906 1.00 31.33 H new ATOM 0 HA VAL A 34 2.972 10.127 -3.915 1.00 63.23 H new ATOM 0 HB VAL A 34 3.195 8.470 -1.377 1.00 61.41 H new ATOM 0 HG11 VAL A 34 0.725 8.430 -1.336 1.00 1.02 H new ATOM 0 HG12 VAL A 34 1.369 10.073 -1.105 1.00 1.02 H new ATOM 0 HG13 VAL A 34 0.691 9.595 -2.680 1.00 1.02 H new ATOM 0 HG21 VAL A 34 1.942 6.784 -2.696 1.00 45.21 H new ATOM 0 HG22 VAL A 34 1.977 7.874 -4.103 1.00 45.21 H new ATOM 0 HG23 VAL A 34 3.494 7.203 -3.459 1.00 45.21 H new ATOM 537 N ILE A 35 4.063 11.173 -0.950 1.00 64.22 N ATOM 538 CA ILE A 35 4.115 12.349 -0.075 1.00 41.44 C ATOM 539 C ILE A 35 4.809 13.529 -0.779 1.00 41.23 C ATOM 540 O ILE A 35 4.259 14.631 -0.854 1.00 44.11 O ATOM 541 CB ILE A 35 4.839 12.034 1.270 1.00 24.33 C ATOM 542 CG1 ILE A 35 3.922 11.228 2.218 1.00 20.44 C ATOM 543 CG2 ILE A 35 5.317 13.317 1.957 1.00 5.45 C ATOM 544 CD1 ILE A 35 3.501 9.873 1.688 1.00 21.23 C ATOM 0 H ILE A 35 4.590 10.369 -0.610 1.00 64.22 H new ATOM 0 HA ILE A 35 3.085 12.627 0.149 1.00 41.44 H new ATOM 0 HB ILE A 35 5.713 11.426 1.036 1.00 24.33 H new ATOM 0 HG12 ILE A 35 4.438 11.088 3.168 1.00 20.44 H new ATOM 0 HG13 ILE A 35 3.028 11.816 2.424 1.00 20.44 H new ATOM 0 HG21 ILE A 35 5.818 13.064 2.892 1.00 5.45 H new ATOM 0 HG22 ILE A 35 6.013 13.842 1.303 1.00 5.45 H new ATOM 0 HG23 ILE A 35 4.461 13.959 2.166 1.00 5.45 H new ATOM 0 HD11 ILE A 35 2.860 9.380 2.419 1.00 21.23 H new ATOM 0 HD12 ILE A 35 2.954 10.002 0.754 1.00 21.23 H new ATOM 0 HD13 ILE A 35 4.385 9.261 1.509 1.00 21.23 H new ATOM 556 N SER A 36 5.999 13.279 -1.324 1.00 23.53 N ATOM 557 CA SER A 36 6.813 14.327 -1.967 1.00 23.43 C ATOM 558 C SER A 36 6.060 15.073 -3.087 1.00 14.12 C ATOM 559 O SER A 36 6.319 16.253 -3.339 1.00 61.04 O ATOM 560 CB SER A 36 8.101 13.712 -2.538 1.00 4.25 C ATOM 561 OG SER A 36 8.930 14.695 -3.140 1.00 42.14 O ATOM 0 H SER A 36 6.429 12.354 -1.336 1.00 23.53 H new ATOM 0 HA SER A 36 7.049 15.059 -1.195 1.00 23.43 H new ATOM 0 HB2 SER A 36 8.650 13.212 -1.740 1.00 4.25 H new ATOM 0 HB3 SER A 36 7.845 12.951 -3.275 1.00 4.25 H new ATOM 0 HG SER A 36 9.740 14.269 -3.491 1.00 42.14 H new ATOM 567 N THR A 37 5.135 14.387 -3.760 1.00 74.42 N ATOM 568 CA THR A 37 4.394 14.986 -4.887 1.00 14.42 C ATOM 569 C THR A 37 3.003 15.499 -4.484 1.00 11.22 C ATOM 570 O THR A 37 2.568 16.555 -4.949 1.00 65.20 O ATOM 571 CB THR A 37 4.219 13.982 -6.049 1.00 72.14 C ATOM 572 OG1 THR A 37 3.500 12.823 -5.598 1.00 73.31 O ATOM 573 CG2 THR A 37 5.571 13.562 -6.622 1.00 0.44 C ATOM 0 H THR A 37 4.877 13.422 -3.551 1.00 74.42 H new ATOM 0 HA THR A 37 5.000 15.833 -5.209 1.00 14.42 H new ATOM 0 HB THR A 37 3.651 14.475 -6.837 1.00 72.14 H new ATOM 0 HG1 THR A 37 4.070 12.296 -5.000 1.00 73.31 H new ATOM 0 HG21 THR A 37 5.417 12.856 -7.438 1.00 0.44 H new ATOM 0 HG22 THR A 37 6.096 14.441 -6.997 1.00 0.44 H new ATOM 0 HG23 THR A 37 6.166 13.090 -5.841 1.00 0.44 H new ATOM 581 N HIS A 38 2.301 14.754 -3.629 1.00 73.42 N ATOM 582 CA HIS A 38 0.901 15.072 -3.299 1.00 70.01 C ATOM 583 C HIS A 38 0.754 15.963 -2.045 1.00 60.01 C ATOM 584 O HIS A 38 -0.348 16.414 -1.734 1.00 51.43 O ATOM 585 CB HIS A 38 0.094 13.777 -3.117 1.00 51.21 C ATOM 586 CG HIS A 38 0.070 12.899 -4.336 1.00 41.41 C ATOM 587 ND1 HIS A 38 0.622 11.682 -4.569 1.00 3.12 N flip ATOM 588 CD2 HIS A 38 -0.578 13.245 -5.504 1.00 63.44 C flip ATOM 589 CE1 HIS A 38 0.296 11.324 -5.854 1.00 43.51 C flip ATOM 590 NE2 HIS A 38 -0.426 12.285 -6.395 1.00 24.21 N flip ATOM 0 H HIS A 38 2.671 13.931 -3.153 1.00 73.42 H new ATOM 0 HA HIS A 38 0.508 15.645 -4.139 1.00 70.01 H new ATOM 0 HB2 HIS A 38 0.513 13.213 -2.283 1.00 51.21 H new ATOM 0 HB3 HIS A 38 -0.930 14.034 -2.846 1.00 51.21 H new ATOM 0 HD2 HIS A 38 -1.126 14.162 -5.664 1.00 63.44 H new ATOM 0 HE1 HIS A 38 0.584 10.405 -6.342 1.00 43.51 H new ATOM 0 HE2 HIS A 38 -0.803 12.286 -7.343 1.00 24.21 H new ATOM 599 N THR A 39 1.845 16.215 -1.318 1.00 62.40 N ATOM 600 CA THR A 39 1.777 17.082 -0.122 1.00 45.35 C ATOM 601 C THR A 39 2.900 18.122 -0.095 1.00 40.23 C ATOM 602 O THR A 39 3.733 18.192 -0.999 1.00 14.11 O ATOM 603 CB THR A 39 1.841 16.287 1.209 1.00 51.12 C ATOM 604 OG1 THR A 39 3.164 15.777 1.431 1.00 2.43 O ATOM 605 CG2 THR A 39 0.840 15.139 1.230 1.00 74.43 C ATOM 0 H THR A 39 2.772 15.843 -1.524 1.00 62.40 H new ATOM 0 HA THR A 39 0.809 17.577 -0.201 1.00 45.35 H new ATOM 0 HB THR A 39 1.582 16.980 2.009 1.00 51.12 H new ATOM 0 HG1 THR A 39 3.512 15.398 0.597 1.00 2.43 H new ATOM 0 HG21 THR A 39 0.916 14.607 2.178 1.00 74.43 H new ATOM 0 HG22 THR A 39 -0.169 15.534 1.116 1.00 74.43 H new ATOM 0 HG23 THR A 39 1.056 14.453 0.411 1.00 74.43 H new ATOM 613 N ARG A 40 2.920 18.919 0.969 1.00 34.24 N ATOM 614 CA ARG A 40 3.924 19.969 1.144 1.00 54.30 C ATOM 615 C ARG A 40 5.127 19.455 1.961 1.00 71.41 C ATOM 616 O ARG A 40 6.107 20.177 2.168 1.00 44.12 O ATOM 617 CB ARG A 40 3.270 21.174 1.846 1.00 40.54 C ATOM 618 CG ARG A 40 4.038 22.487 1.708 1.00 72.33 C ATOM 619 CD ARG A 40 4.268 22.856 0.242 1.00 14.43 C ATOM 620 NE ARG A 40 3.071 22.649 -0.579 1.00 14.42 N ATOM 621 CZ ARG A 40 2.907 23.136 -1.778 1.00 11.13 C ATOM 622 NH1 ARG A 40 3.786 23.934 -2.297 1.00 73.45 N ATOM 623 NH2 ARG A 40 1.855 22.827 -2.461 1.00 61.33 N ATOM 0 H ARG A 40 2.246 18.858 1.732 1.00 34.24 H new ATOM 0 HA ARG A 40 4.298 20.272 0.166 1.00 54.30 H new ATOM 0 HB2 ARG A 40 2.267 21.312 1.443 1.00 40.54 H new ATOM 0 HB3 ARG A 40 3.159 20.944 2.906 1.00 40.54 H new ATOM 0 HG2 ARG A 40 3.485 23.286 2.202 1.00 72.33 H new ATOM 0 HG3 ARG A 40 4.998 22.402 2.217 1.00 72.33 H new ATOM 0 HD2 ARG A 40 4.575 23.900 0.176 1.00 14.43 H new ATOM 0 HD3 ARG A 40 5.087 22.257 -0.157 1.00 14.43 H new ATOM 0 HE ARG A 40 2.316 22.087 -0.186 1.00 14.42 H new ATOM 0 HH11 ARG A 40 4.619 24.189 -1.767 1.00 73.45 H new ATOM 0 HH12 ARG A 40 3.645 24.307 -3.236 1.00 73.45 H new ATOM 0 HH21 ARG A 40 1.154 22.203 -2.063 1.00 61.33 H new ATOM 0 HH22 ARG A 40 1.726 23.207 -3.399 1.00 61.33 H new ATOM 637 N ALA A 41 5.051 18.199 2.403 1.00 41.20 N ATOM 638 CA ALA A 41 6.083 17.608 3.259 1.00 3.54 C ATOM 639 C ALA A 41 7.262 17.047 2.445 1.00 34.45 C ATOM 640 O ALA A 41 7.092 16.164 1.602 1.00 53.50 O ATOM 641 CB ALA A 41 5.475 16.514 4.133 1.00 31.44 C ATOM 0 H ALA A 41 4.281 17.568 2.181 1.00 41.20 H new ATOM 0 HA ALA A 41 6.477 18.402 3.893 1.00 3.54 H new ATOM 0 HB1 ALA A 41 6.250 16.081 4.765 1.00 31.44 H new ATOM 0 HB2 ALA A 41 4.692 16.942 4.759 1.00 31.44 H new ATOM 0 HB3 ALA A 41 5.048 15.737 3.499 1.00 31.44 H new ATOM 647 N LYS A 42 8.454 17.574 2.702 1.00 60.23 N ATOM 648 CA LYS A 42 9.680 17.098 2.053 1.00 1.40 C ATOM 649 C LYS A 42 10.210 15.825 2.733 1.00 43.10 C ATOM 650 O LYS A 42 10.430 15.801 3.946 1.00 61.02 O ATOM 651 CB LYS A 42 10.752 18.203 2.086 1.00 25.11 C ATOM 652 CG LYS A 42 12.131 17.765 1.581 1.00 43.03 C ATOM 653 CD LYS A 42 12.107 17.319 0.117 1.00 54.03 C ATOM 654 CE LYS A 42 11.723 18.456 -0.821 1.00 4.13 C ATOM 655 NZ LYS A 42 11.731 18.029 -2.248 1.00 65.04 N ATOM 0 H LYS A 42 8.602 18.338 3.361 1.00 60.23 H new ATOM 0 HA LYS A 42 9.446 16.853 1.017 1.00 1.40 H new ATOM 0 HB2 LYS A 42 10.408 19.043 1.483 1.00 25.11 H new ATOM 0 HB3 LYS A 42 10.852 18.565 3.109 1.00 25.11 H new ATOM 0 HG2 LYS A 42 12.834 18.590 1.694 1.00 43.03 H new ATOM 0 HG3 LYS A 42 12.498 16.946 2.200 1.00 43.03 H new ATOM 0 HD2 LYS A 42 13.089 16.936 -0.161 1.00 54.03 H new ATOM 0 HD3 LYS A 42 11.400 16.498 -0.000 1.00 54.03 H new ATOM 0 HE2 LYS A 42 10.731 18.824 -0.558 1.00 4.13 H new ATOM 0 HE3 LYS A 42 12.416 19.286 -0.687 1.00 4.13 H new ATOM 0 HZ1 LYS A 42 11.464 18.832 -2.852 1.00 65.04 H new ATOM 0 HZ2 LYS A 42 12.684 17.702 -2.507 1.00 65.04 H new ATOM 0 HZ3 LYS A 42 11.051 17.254 -2.382 1.00 65.04 H new ATOM 669 N VAL A 43 10.410 14.768 1.946 1.00 41.25 N ATOM 670 CA VAL A 43 10.976 13.523 2.465 1.00 31.35 C ATOM 671 C VAL A 43 12.500 13.647 2.620 1.00 42.12 C ATOM 672 O VAL A 43 13.242 13.611 1.636 1.00 65.02 O ATOM 673 CB VAL A 43 10.642 12.318 1.547 1.00 40.05 C ATOM 674 CG1 VAL A 43 11.161 11.013 2.151 1.00 23.51 C ATOM 675 CG2 VAL A 43 9.136 12.241 1.285 1.00 61.11 C ATOM 0 H VAL A 43 10.189 14.749 0.950 1.00 41.25 H new ATOM 0 HA VAL A 43 10.526 13.344 3.442 1.00 31.35 H new ATOM 0 HB VAL A 43 11.145 12.467 0.591 1.00 40.05 H new ATOM 0 HG11 VAL A 43 10.915 10.183 1.489 1.00 23.51 H new ATOM 0 HG12 VAL A 43 12.243 11.073 2.271 1.00 23.51 H new ATOM 0 HG13 VAL A 43 10.696 10.852 3.124 1.00 23.51 H new ATOM 0 HG21 VAL A 43 8.922 11.389 0.639 1.00 61.11 H new ATOM 0 HG22 VAL A 43 8.608 12.121 2.231 1.00 61.11 H new ATOM 0 HG23 VAL A 43 8.804 13.158 0.798 1.00 61.11 H new ATOM 685 N VAL A 44 12.955 13.827 3.855 1.00 51.11 N ATOM 686 CA VAL A 44 14.383 13.992 4.142 1.00 13.54 C ATOM 687 C VAL A 44 15.074 12.641 4.395 1.00 31.34 C ATOM 688 O VAL A 44 14.528 11.765 5.064 1.00 74.34 O ATOM 689 CB VAL A 44 14.606 14.932 5.357 1.00 44.51 C ATOM 690 CG1 VAL A 44 14.114 16.346 5.042 1.00 32.14 C ATOM 691 CG2 VAL A 44 13.912 14.388 6.605 1.00 53.35 C ATOM 0 H VAL A 44 12.356 13.863 4.680 1.00 51.11 H new ATOM 0 HA VAL A 44 14.832 14.445 3.258 1.00 13.54 H new ATOM 0 HB VAL A 44 15.677 14.975 5.557 1.00 44.51 H new ATOM 0 HG11 VAL A 44 14.279 16.990 5.906 1.00 32.14 H new ATOM 0 HG12 VAL A 44 14.662 16.740 4.186 1.00 32.14 H new ATOM 0 HG13 VAL A 44 13.050 16.317 4.809 1.00 32.14 H new ATOM 0 HG21 VAL A 44 14.084 15.065 7.441 1.00 53.35 H new ATOM 0 HG22 VAL A 44 12.841 14.306 6.419 1.00 53.35 H new ATOM 0 HG23 VAL A 44 14.315 13.404 6.846 1.00 53.35 H new ATOM 701 N ASN A 45 16.285 12.486 3.859 1.00 1.10 N ATOM 702 CA ASN A 45 17.048 11.235 4.005 1.00 62.25 C ATOM 703 C ASN A 45 17.811 11.199 5.345 1.00 24.01 C ATOM 704 O ASN A 45 18.565 10.268 5.624 1.00 15.31 O ATOM 705 CB ASN A 45 18.023 11.082 2.825 1.00 1.31 C ATOM 706 CG ASN A 45 18.560 9.667 2.681 1.00 5.33 C ATOM 707 OD1 ASN A 45 19.664 9.373 3.338 1.00 54.43 O flip ATOM 708 ND2 ASN A 45 17.983 8.838 1.983 1.00 3.03 N flip ATOM 0 H ASN A 45 16.763 13.208 3.319 1.00 1.10 H new ATOM 0 HA ASN A 45 16.347 10.400 4.002 1.00 62.25 H new ATOM 0 HB2 ASN A 45 17.517 11.369 1.903 1.00 1.31 H new ATOM 0 HB3 ASN A 45 18.858 11.770 2.958 1.00 1.31 H new ATOM 0 HD21 ASN A 45 17.130 9.095 1.486 1.00 3.03 H new ATOM 0 HD22 ASN A 45 18.357 7.893 1.900 1.00 3.03 H new ATOM 715 N LYS A 46 17.597 12.214 6.178 1.00 3.43 N ATOM 716 CA LYS A 46 18.265 12.308 7.481 1.00 12.51 C ATOM 717 C LYS A 46 17.293 12.818 8.557 1.00 52.40 C ATOM 718 O LYS A 46 16.331 13.522 8.251 1.00 20.33 O ATOM 719 CB LYS A 46 19.499 13.224 7.393 1.00 30.54 C ATOM 720 CG LYS A 46 19.182 14.710 7.223 1.00 12.25 C ATOM 721 CD LYS A 46 18.659 15.066 5.829 1.00 65.22 C ATOM 722 CE LYS A 46 18.300 16.548 5.735 1.00 33.51 C ATOM 723 NZ LYS A 46 17.940 16.953 4.350 1.00 63.23 N ATOM 0 H LYS A 46 16.964 12.988 5.976 1.00 3.43 H new ATOM 0 HA LYS A 46 18.596 11.309 7.765 1.00 12.51 H new ATOM 0 HB2 LYS A 46 20.095 13.095 8.296 1.00 30.54 H new ATOM 0 HB3 LYS A 46 20.116 12.900 6.555 1.00 30.54 H new ATOM 0 HG2 LYS A 46 18.441 15.003 7.966 1.00 12.25 H new ATOM 0 HG3 LYS A 46 20.082 15.291 7.424 1.00 12.25 H new ATOM 0 HD2 LYS A 46 19.415 14.824 5.082 1.00 65.22 H new ATOM 0 HD3 LYS A 46 17.781 14.461 5.602 1.00 65.22 H new ATOM 0 HE2 LYS A 46 17.465 16.761 6.402 1.00 33.51 H new ATOM 0 HE3 LYS A 46 19.143 17.147 6.079 1.00 33.51 H new ATOM 0 HZ1 LYS A 46 17.704 17.966 4.335 1.00 63.23 H new ATOM 0 HZ2 LYS A 46 18.745 16.775 3.716 1.00 63.23 H new ATOM 0 HZ3 LYS A 46 17.119 16.401 4.029 1.00 63.23 H new ATOM 737 N ALA A 47 17.551 12.481 9.819 1.00 71.35 N ATOM 738 CA ALA A 47 16.609 12.785 10.906 1.00 60.02 C ATOM 739 C ALA A 47 17.096 13.914 11.831 1.00 72.30 C ATOM 740 O ALA A 47 16.495 14.167 12.875 1.00 3.42 O ATOM 741 CB ALA A 47 16.331 11.523 11.716 1.00 43.22 C ATOM 0 H ALA A 47 18.399 11.999 10.118 1.00 71.35 H new ATOM 0 HA ALA A 47 15.690 13.141 10.440 1.00 60.02 H new ATOM 0 HB1 ALA A 47 15.632 11.753 12.520 1.00 43.22 H new ATOM 0 HB2 ALA A 47 15.898 10.762 11.067 1.00 43.22 H new ATOM 0 HB3 ALA A 47 17.263 11.151 12.141 1.00 43.22 H new ATOM 747 N GLU A 48 18.166 14.604 11.444 1.00 62.44 N ATOM 748 CA GLU A 48 18.708 15.702 12.260 1.00 22.54 C ATOM 749 C GLU A 48 17.768 16.927 12.304 1.00 25.12 C ATOM 750 O GLU A 48 17.664 17.594 13.336 1.00 41.30 O ATOM 751 CB GLU A 48 20.131 16.092 11.796 1.00 41.12 C ATOM 752 CG GLU A 48 20.358 16.103 10.282 1.00 10.13 C ATOM 753 CD GLU A 48 19.784 17.320 9.578 1.00 12.14 C ATOM 754 OE1 GLU A 48 20.453 18.375 9.577 1.00 54.15 O ATOM 755 OE2 GLU A 48 18.676 17.221 9.015 1.00 15.23 O ATOM 0 H GLU A 48 18.676 14.429 10.578 1.00 62.44 H new ATOM 0 HA GLU A 48 18.778 15.332 13.283 1.00 22.54 H new ATOM 0 HB2 GLU A 48 20.361 17.083 12.186 1.00 41.12 H new ATOM 0 HB3 GLU A 48 20.842 15.399 12.246 1.00 41.12 H new ATOM 0 HG2 GLU A 48 21.429 16.055 10.086 1.00 10.13 H new ATOM 0 HG3 GLU A 48 19.914 15.205 9.852 1.00 10.13 H new ATOM 762 N LYS A 49 17.082 17.217 11.197 1.00 30.14 N ATOM 763 CA LYS A 49 16.089 18.309 11.154 1.00 54.11 C ATOM 764 C LYS A 49 14.662 17.775 10.942 1.00 10.34 C ATOM 765 O LYS A 49 13.756 18.531 10.590 1.00 63.45 O ATOM 766 CB LYS A 49 16.430 19.309 10.038 1.00 52.15 C ATOM 767 CG LYS A 49 17.698 20.120 10.289 1.00 0.34 C ATOM 768 CD LYS A 49 18.031 21.024 9.105 1.00 32.45 C ATOM 769 CE LYS A 49 19.308 21.825 9.336 1.00 61.43 C ATOM 770 NZ LYS A 49 20.475 20.948 9.608 1.00 2.51 N ATOM 0 H LYS A 49 17.191 16.715 10.316 1.00 30.14 H new ATOM 0 HA LYS A 49 16.127 18.813 12.120 1.00 54.11 H new ATOM 0 HB2 LYS A 49 16.540 18.765 9.100 1.00 52.15 H new ATOM 0 HB3 LYS A 49 15.592 19.995 9.912 1.00 52.15 H new ATOM 0 HG2 LYS A 49 17.571 20.726 11.186 1.00 0.34 H new ATOM 0 HG3 LYS A 49 18.532 19.444 10.477 1.00 0.34 H new ATOM 0 HD2 LYS A 49 18.142 20.417 8.206 1.00 32.45 H new ATOM 0 HD3 LYS A 49 17.201 21.708 8.927 1.00 32.45 H new ATOM 0 HE2 LYS A 49 19.513 22.440 8.460 1.00 61.43 H new ATOM 0 HE3 LYS A 49 19.162 22.505 10.175 1.00 61.43 H new ATOM 0 HZ1 LYS A 49 21.313 21.325 9.122 1.00 2.51 H new ATOM 0 HZ2 LYS A 49 20.654 20.916 10.632 1.00 2.51 H new ATOM 0 HZ3 LYS A 49 20.276 19.988 9.261 1.00 2.51 H new ATOM 784 N SER A 50 14.462 16.480 11.184 1.00 70.41 N ATOM 785 CA SER A 50 13.157 15.831 10.955 1.00 22.25 C ATOM 786 C SER A 50 12.036 16.464 11.799 1.00 21.41 C ATOM 787 O SER A 50 12.292 17.174 12.777 1.00 51.12 O ATOM 788 CB SER A 50 13.243 14.331 11.269 1.00 43.10 C ATOM 789 OG SER A 50 13.560 14.111 12.635 1.00 71.54 O ATOM 0 H SER A 50 15.184 15.853 11.539 1.00 70.41 H new ATOM 0 HA SER A 50 12.911 15.977 9.903 1.00 22.25 H new ATOM 0 HB2 SER A 50 12.293 13.852 11.031 1.00 43.10 H new ATOM 0 HB3 SER A 50 14.001 13.867 10.638 1.00 43.10 H new ATOM 0 HG SER A 50 13.023 13.368 12.980 1.00 71.54 H new ATOM 795 N GLU A 51 10.790 16.208 11.409 1.00 40.54 N ATOM 796 CA GLU A 51 9.622 16.715 12.142 1.00 70.13 C ATOM 797 C GLU A 51 8.591 15.593 12.373 1.00 55.53 C ATOM 798 O GLU A 51 8.038 15.450 13.465 1.00 4.21 O ATOM 799 CB GLU A 51 9.007 17.898 11.379 1.00 63.25 C ATOM 800 CG GLU A 51 7.833 18.566 12.082 1.00 25.14 C ATOM 801 CD GLU A 51 7.520 19.939 11.502 1.00 2.52 C ATOM 802 OE1 GLU A 51 7.354 20.042 10.267 1.00 54.21 O ATOM 803 OE2 GLU A 51 7.447 20.915 12.284 1.00 2.04 O ATOM 0 H GLU A 51 10.558 15.651 10.587 1.00 40.54 H new ATOM 0 HA GLU A 51 9.940 17.067 13.123 1.00 70.13 H new ATOM 0 HB2 GLU A 51 9.782 18.644 11.207 1.00 63.25 H new ATOM 0 HB3 GLU A 51 8.677 17.550 10.400 1.00 63.25 H new ATOM 0 HG2 GLU A 51 6.952 17.929 11.999 1.00 25.14 H new ATOM 0 HG3 GLU A 51 8.056 18.665 13.144 1.00 25.14 H new ATOM 810 N ALA A 52 8.350 14.792 11.337 1.00 32.44 N ATOM 811 CA ALA A 52 7.525 13.580 11.457 1.00 34.31 C ATOM 812 C ALA A 52 8.224 12.380 10.798 1.00 23.11 C ATOM 813 O ALA A 52 9.015 12.556 9.874 1.00 14.01 O ATOM 814 CB ALA A 52 6.152 13.809 10.835 1.00 22.44 C ATOM 0 H ALA A 52 8.714 14.957 10.399 1.00 32.44 H new ATOM 0 HA ALA A 52 7.392 13.357 12.516 1.00 34.31 H new ATOM 0 HB1 ALA A 52 5.553 12.903 10.932 1.00 22.44 H new ATOM 0 HB2 ALA A 52 5.653 14.631 11.348 1.00 22.44 H new ATOM 0 HB3 ALA A 52 6.267 14.057 9.780 1.00 22.44 H new ATOM 820 N ILE A 53 7.942 11.167 11.275 1.00 3.20 N ATOM 821 CA ILE A 53 8.569 9.951 10.727 1.00 53.30 C ATOM 822 C ILE A 53 7.533 8.862 10.414 1.00 14.24 C ATOM 823 O ILE A 53 6.709 8.512 11.259 1.00 31.12 O ATOM 824 CB ILE A 53 9.640 9.365 11.689 1.00 30.55 C ATOM 825 CG1 ILE A 53 10.792 10.367 11.887 1.00 14.31 C ATOM 826 CG2 ILE A 53 10.170 8.026 11.166 1.00 12.51 C ATOM 827 CD1 ILE A 53 11.938 9.837 12.724 1.00 1.34 C ATOM 0 H ILE A 53 7.286 10.995 12.037 1.00 3.20 H new ATOM 0 HA ILE A 53 9.053 10.259 9.800 1.00 53.30 H new ATOM 0 HB ILE A 53 9.169 9.186 12.656 1.00 30.55 H new ATOM 0 HG12 ILE A 53 11.176 10.660 10.910 1.00 14.31 H new ATOM 0 HG13 ILE A 53 10.399 11.268 12.358 1.00 14.31 H new ATOM 0 HG21 ILE A 53 10.918 7.636 11.856 1.00 12.51 H new ATOM 0 HG22 ILE A 53 9.347 7.316 11.084 1.00 12.51 H new ATOM 0 HG23 ILE A 53 10.623 8.172 10.185 1.00 12.51 H new ATOM 0 HD11 ILE A 53 12.707 10.604 12.815 1.00 1.34 H new ATOM 0 HD12 ILE A 53 11.572 9.571 13.716 1.00 1.34 H new ATOM 0 HD13 ILE A 53 12.361 8.954 12.244 1.00 1.34 H new ATOM 839 N ILE A 54 7.586 8.325 9.195 1.00 50.31 N ATOM 840 CA ILE A 54 6.700 7.229 8.783 1.00 40.05 C ATOM 841 C ILE A 54 7.496 5.921 8.616 1.00 74.43 C ATOM 842 O ILE A 54 8.426 5.845 7.809 1.00 24.51 O ATOM 843 CB ILE A 54 5.950 7.533 7.450 1.00 40.01 C ATOM 844 CG1 ILE A 54 5.094 8.814 7.560 1.00 35.01 C ATOM 845 CG2 ILE A 54 5.075 6.344 7.044 1.00 31.11 C ATOM 846 CD1 ILE A 54 5.888 10.105 7.506 1.00 40.41 C ATOM 0 H ILE A 54 8.235 8.631 8.470 1.00 50.31 H new ATOM 0 HA ILE A 54 5.959 7.122 9.575 1.00 40.05 H new ATOM 0 HB ILE A 54 6.702 7.699 6.679 1.00 40.01 H new ATOM 0 HG12 ILE A 54 4.362 8.818 6.752 1.00 35.01 H new ATOM 0 HG13 ILE A 54 4.536 8.784 8.496 1.00 35.01 H new ATOM 0 HG21 ILE A 54 4.559 6.574 6.112 1.00 31.11 H new ATOM 0 HG22 ILE A 54 5.701 5.462 6.905 1.00 31.11 H new ATOM 0 HG23 ILE A 54 4.341 6.148 7.826 1.00 31.11 H new ATOM 0 HD11 ILE A 54 5.209 10.954 7.590 1.00 40.41 H new ATOM 0 HD12 ILE A 54 6.601 10.128 8.330 1.00 40.41 H new ATOM 0 HD13 ILE A 54 6.425 10.162 6.559 1.00 40.41 H new ATOM 858 N GLN A 55 7.128 4.894 9.381 1.00 1.04 N ATOM 859 CA GLN A 55 7.809 3.594 9.312 1.00 5.40 C ATOM 860 C GLN A 55 6.847 2.482 8.871 1.00 53.23 C ATOM 861 O GLN A 55 5.919 2.124 9.595 1.00 71.51 O ATOM 862 CB GLN A 55 8.426 3.236 10.674 1.00 71.52 C ATOM 863 CG GLN A 55 9.196 1.917 10.666 1.00 71.20 C ATOM 864 CD GLN A 55 9.833 1.585 12.007 1.00 5.52 C ATOM 865 OE1 GLN A 55 10.004 0.307 12.283 1.00 35.32 O flip ATOM 866 NE2 GLN A 55 10.177 2.467 12.785 1.00 73.34 N flip ATOM 0 H GLN A 55 6.364 4.933 10.056 1.00 1.04 H new ATOM 0 HA GLN A 55 8.602 3.677 8.569 1.00 5.40 H new ATOM 0 HB2 GLN A 55 9.097 4.038 10.982 1.00 71.52 H new ATOM 0 HB3 GLN A 55 7.633 3.180 11.420 1.00 71.52 H new ATOM 0 HG2 GLN A 55 8.519 1.111 10.383 1.00 71.20 H new ATOM 0 HG3 GLN A 55 9.973 1.963 9.903 1.00 71.20 H new ATOM 0 HE21 GLN A 55 10.031 3.447 12.542 1.00 73.34 H new ATOM 0 HE22 GLN A 55 10.609 2.221 13.676 1.00 73.34 H new ATOM 875 N ILE A 56 7.071 1.937 7.680 1.00 65.51 N ATOM 876 CA ILE A 56 6.257 0.828 7.177 1.00 62.35 C ATOM 877 C ILE A 56 6.735 -0.507 7.783 1.00 13.51 C ATOM 878 O ILE A 56 7.925 -0.819 7.768 1.00 63.10 O ATOM 879 CB ILE A 56 6.279 0.789 5.614 1.00 31.32 C ATOM 880 CG1 ILE A 56 5.313 -0.277 5.041 1.00 52.24 C ATOM 881 CG2 ILE A 56 7.700 0.575 5.092 1.00 11.15 C ATOM 882 CD1 ILE A 56 5.869 -1.688 4.989 1.00 32.34 C ATOM 0 H ILE A 56 7.807 2.242 7.043 1.00 65.51 H new ATOM 0 HA ILE A 56 5.224 0.985 7.486 1.00 62.35 H new ATOM 0 HB ILE A 56 5.927 1.760 5.266 1.00 31.32 H new ATOM 0 HG12 ILE A 56 4.405 -0.283 5.643 1.00 52.24 H new ATOM 0 HG13 ILE A 56 5.025 0.021 4.033 1.00 52.24 H new ATOM 0 HG21 ILE A 56 7.688 0.552 4.002 1.00 11.15 H new ATOM 0 HG22 ILE A 56 8.339 1.391 5.430 1.00 11.15 H new ATOM 0 HG23 ILE A 56 8.088 -0.371 5.471 1.00 11.15 H new ATOM 0 HD11 ILE A 56 5.118 -2.360 4.573 1.00 32.34 H new ATOM 0 HD12 ILE A 56 6.759 -1.705 4.360 1.00 32.34 H new ATOM 0 HD13 ILE A 56 6.129 -2.014 5.996 1.00 32.34 H new ATOM 894 N VAL A 57 5.801 -1.282 8.338 1.00 42.14 N ATOM 895 CA VAL A 57 6.137 -2.553 9.002 1.00 34.35 C ATOM 896 C VAL A 57 6.430 -3.668 7.983 1.00 23.05 C ATOM 897 O VAL A 57 7.557 -4.148 7.883 1.00 61.53 O ATOM 898 CB VAL A 57 5.002 -3.012 9.956 1.00 62.25 C ATOM 899 CG1 VAL A 57 5.385 -4.303 10.681 1.00 72.35 C ATOM 900 CG2 VAL A 57 4.660 -1.908 10.955 1.00 41.20 C ATOM 0 H VAL A 57 4.806 -1.056 8.343 1.00 42.14 H new ATOM 0 HA VAL A 57 7.038 -2.368 9.586 1.00 34.35 H new ATOM 0 HB VAL A 57 4.115 -3.216 9.355 1.00 62.25 H new ATOM 0 HG11 VAL A 57 4.573 -4.603 11.343 1.00 72.35 H new ATOM 0 HG12 VAL A 57 5.567 -5.091 9.950 1.00 72.35 H new ATOM 0 HG13 VAL A 57 6.289 -4.137 11.267 1.00 72.35 H new ATOM 0 HG21 VAL A 57 3.862 -2.249 11.615 1.00 41.20 H new ATOM 0 HG22 VAL A 57 5.543 -1.667 11.547 1.00 41.20 H new ATOM 0 HG23 VAL A 57 4.331 -1.019 10.417 1.00 41.20 H new ATOM 910 N HIS A 58 5.409 -4.075 7.227 1.00 23.44 N ATOM 911 CA HIS A 58 5.566 -5.118 6.205 1.00 1.00 C ATOM 912 C HIS A 58 4.392 -5.115 5.212 1.00 14.30 C ATOM 913 O HIS A 58 3.262 -4.775 5.570 1.00 1.12 O ATOM 914 CB HIS A 58 5.696 -6.500 6.866 1.00 2.12 C ATOM 915 CG HIS A 58 6.004 -7.607 5.899 1.00 31.11 C ATOM 916 ND1 HIS A 58 7.217 -7.733 5.254 1.00 61.34 N ATOM 917 CD2 HIS A 58 5.244 -8.635 5.455 1.00 72.43 C ATOM 918 CE1 HIS A 58 7.185 -8.782 4.458 1.00 23.10 C ATOM 919 NE2 HIS A 58 6.001 -9.348 4.562 1.00 50.25 N ATOM 0 H HIS A 58 4.463 -3.700 7.301 1.00 23.44 H new ATOM 0 HA HIS A 58 6.478 -4.901 5.648 1.00 1.00 H new ATOM 0 HB2 HIS A 58 6.482 -6.459 7.620 1.00 2.12 H new ATOM 0 HB3 HIS A 58 4.767 -6.733 7.386 1.00 2.12 H new ATOM 0 HD2 HIS A 58 4.228 -8.853 5.750 1.00 72.43 H new ATOM 0 HE1 HIS A 58 7.993 -9.120 3.827 1.00 23.10 H new ATOM 0 HE2 HIS A 58 5.696 -10.182 4.060 1.00 50.25 H new ATOM 928 N ALA A 59 4.676 -5.489 3.962 1.00 14.01 N ATOM 929 CA ALA A 59 3.653 -5.578 2.910 1.00 33.51 C ATOM 930 C ALA A 59 3.470 -7.032 2.441 1.00 74.45 C ATOM 931 O ALA A 59 4.415 -7.666 1.976 1.00 51.41 O ATOM 932 CB ALA A 59 4.033 -4.682 1.734 1.00 1.43 C ATOM 0 H ALA A 59 5.614 -5.738 3.649 1.00 14.01 H new ATOM 0 HA ALA A 59 2.704 -5.236 3.323 1.00 33.51 H new ATOM 0 HB1 ALA A 59 3.269 -4.755 0.960 1.00 1.43 H new ATOM 0 HB2 ALA A 59 4.109 -3.649 2.073 1.00 1.43 H new ATOM 0 HB3 ALA A 59 4.993 -5.002 1.328 1.00 1.43 H new ATOM 938 N ILE A 60 2.255 -7.555 2.581 1.00 34.21 N ATOM 939 CA ILE A 60 1.947 -8.939 2.199 1.00 14.43 C ATOM 940 C ILE A 60 1.171 -8.994 0.873 1.00 72.03 C ATOM 941 O ILE A 60 0.057 -8.481 0.775 1.00 73.21 O ATOM 942 CB ILE A 60 1.106 -9.669 3.287 1.00 62.54 C ATOM 943 CG1 ILE A 60 1.794 -9.628 4.669 1.00 62.41 C ATOM 944 CG2 ILE A 60 0.834 -11.116 2.871 1.00 23.33 C ATOM 945 CD1 ILE A 60 1.673 -8.296 5.389 1.00 74.31 C ATOM 0 H ILE A 60 1.459 -7.041 2.959 1.00 34.21 H new ATOM 0 HA ILE A 60 2.907 -9.442 2.088 1.00 14.43 H new ATOM 0 HB ILE A 60 0.157 -9.140 3.376 1.00 62.54 H new ATOM 0 HG12 ILE A 60 1.365 -10.408 5.298 1.00 62.41 H new ATOM 0 HG13 ILE A 60 2.850 -9.865 4.543 1.00 62.41 H new ATOM 0 HG21 ILE A 60 0.245 -11.612 3.643 1.00 23.33 H new ATOM 0 HG22 ILE A 60 0.283 -11.127 1.931 1.00 23.33 H new ATOM 0 HG23 ILE A 60 1.780 -11.642 2.743 1.00 23.33 H new ATOM 0 HD11 ILE A 60 2.183 -8.354 6.350 1.00 74.31 H new ATOM 0 HD12 ILE A 60 2.128 -7.512 4.783 1.00 74.31 H new ATOM 0 HD13 ILE A 60 0.620 -8.064 5.551 1.00 74.31 H new ATOM 957 N ARG A 61 1.764 -9.616 -0.143 1.00 64.24 N ATOM 958 CA ARG A 61 1.086 -9.831 -1.427 1.00 75.44 C ATOM 959 C ARG A 61 0.928 -11.338 -1.704 1.00 15.24 C ATOM 960 O ARG A 61 1.916 -12.068 -1.807 1.00 34.11 O ATOM 961 CB ARG A 61 1.860 -9.135 -2.563 1.00 74.11 C ATOM 962 CG ARG A 61 3.302 -9.614 -2.733 1.00 25.34 C ATOM 963 CD ARG A 61 4.052 -8.811 -3.794 1.00 31.14 C ATOM 964 NE ARG A 61 4.334 -7.440 -3.360 1.00 73.53 N ATOM 965 CZ ARG A 61 4.382 -6.407 -4.158 1.00 13.12 C ATOM 966 NH1 ARG A 61 4.134 -6.534 -5.422 1.00 51.21 N ATOM 967 NH2 ARG A 61 4.695 -5.245 -3.688 1.00 34.21 N ATOM 0 H ARG A 61 2.715 -9.982 -0.106 1.00 64.24 H new ATOM 0 HA ARG A 61 0.090 -9.391 -1.378 1.00 75.44 H new ATOM 0 HB2 ARG A 61 1.325 -9.292 -3.500 1.00 74.11 H new ATOM 0 HB3 ARG A 61 1.867 -8.061 -2.376 1.00 74.11 H new ATOM 0 HG2 ARG A 61 3.825 -9.533 -1.780 1.00 25.34 H new ATOM 0 HG3 ARG A 61 3.303 -10.669 -3.009 1.00 25.34 H new ATOM 0 HD2 ARG A 61 4.989 -9.314 -4.032 1.00 31.14 H new ATOM 0 HD3 ARG A 61 3.463 -8.785 -4.711 1.00 31.14 H new ATOM 0 HE ARG A 61 4.504 -7.282 -2.367 1.00 73.53 H new ATOM 0 HH11 ARG A 61 3.898 -7.449 -5.806 1.00 51.21 H new ATOM 0 HH12 ARG A 61 4.175 -5.719 -6.034 1.00 51.21 H new ATOM 0 HH21 ARG A 61 4.904 -5.136 -2.696 1.00 34.21 H new ATOM 0 HH22 ARG A 61 4.733 -4.437 -4.309 1.00 34.21 H new ATOM 981 N GLU A 62 -0.319 -11.800 -1.809 1.00 73.13 N ATOM 982 CA GLU A 62 -0.606 -13.237 -1.943 1.00 14.12 C ATOM 983 C GLU A 62 -1.725 -13.532 -2.957 1.00 20.12 C ATOM 984 O GLU A 62 -2.656 -12.746 -3.135 1.00 32.15 O ATOM 985 CB GLU A 62 -0.980 -13.826 -0.571 1.00 73.21 C ATOM 986 CG GLU A 62 0.220 -14.159 0.309 1.00 72.10 C ATOM 987 CD GLU A 62 0.969 -15.388 -0.181 1.00 5.21 C ATOM 988 OE1 GLU A 62 0.580 -16.512 0.198 1.00 31.12 O ATOM 989 OE2 GLU A 62 1.938 -15.244 -0.958 1.00 44.01 O ATOM 0 H GLU A 62 -1.147 -11.205 -1.804 1.00 73.13 H new ATOM 0 HA GLU A 62 0.301 -13.708 -2.322 1.00 14.12 H new ATOM 0 HB2 GLU A 62 -1.618 -13.116 -0.044 1.00 73.21 H new ATOM 0 HB3 GLU A 62 -1.568 -14.731 -0.724 1.00 73.21 H new ATOM 0 HG2 GLU A 62 0.899 -13.307 0.332 1.00 72.10 H new ATOM 0 HG3 GLU A 62 -0.117 -14.325 1.332 1.00 72.10 H new ATOM 996 N LYS A 63 -1.614 -14.685 -3.618 1.00 1.24 N ATOM 997 CA LYS A 63 -2.632 -15.164 -4.558 1.00 73.52 C ATOM 998 C LYS A 63 -3.263 -16.478 -4.051 1.00 23.45 C ATOM 999 O LYS A 63 -2.559 -17.466 -3.822 1.00 60.15 O ATOM 1000 CB LYS A 63 -2.001 -15.369 -5.948 1.00 12.34 C ATOM 1001 CG LYS A 63 -1.368 -14.101 -6.528 1.00 72.14 C ATOM 1002 CD LYS A 63 -0.774 -14.325 -7.920 1.00 43.51 C ATOM 1003 CE LYS A 63 -1.842 -14.675 -8.953 1.00 51.42 C ATOM 1004 NZ LYS A 63 -1.273 -14.801 -10.321 1.00 71.42 N ATOM 0 H LYS A 63 -0.817 -15.314 -3.518 1.00 1.24 H new ATOM 0 HA LYS A 63 -3.422 -14.417 -4.634 1.00 73.52 H new ATOM 0 HB2 LYS A 63 -1.240 -16.147 -5.881 1.00 12.34 H new ATOM 0 HB3 LYS A 63 -2.766 -15.730 -6.635 1.00 12.34 H new ATOM 0 HG2 LYS A 63 -2.121 -13.315 -6.580 1.00 72.14 H new ATOM 0 HG3 LYS A 63 -0.586 -13.749 -5.855 1.00 72.14 H new ATOM 0 HD2 LYS A 63 -0.245 -13.426 -8.237 1.00 43.51 H new ATOM 0 HD3 LYS A 63 -0.038 -15.128 -7.874 1.00 43.51 H new ATOM 0 HE2 LYS A 63 -2.324 -15.612 -8.673 1.00 51.42 H new ATOM 0 HE3 LYS A 63 -2.614 -13.906 -8.951 1.00 51.42 H new ATOM 0 HZ1 LYS A 63 -2.005 -15.154 -10.970 1.00 71.42 H new ATOM 0 HZ2 LYS A 63 -0.941 -13.870 -10.646 1.00 71.42 H new ATOM 0 HZ3 LYS A 63 -0.474 -15.467 -10.305 1.00 71.42 H new ATOM 1018 N ARG A 64 -4.588 -16.480 -3.870 1.00 10.14 N ATOM 1019 CA ARG A 64 -5.311 -17.637 -3.303 1.00 24.34 C ATOM 1020 C ARG A 64 -6.706 -17.826 -3.947 1.00 1.24 C ATOM 1021 O ARG A 64 -7.008 -17.223 -4.973 1.00 3.33 O ATOM 1022 CB ARG A 64 -5.424 -17.481 -1.773 1.00 51.24 C ATOM 1023 CG ARG A 64 -5.645 -16.043 -1.300 1.00 4.32 C ATOM 1024 CD ARG A 64 -5.752 -15.947 0.222 1.00 22.21 C ATOM 1025 NE ARG A 64 -7.068 -16.355 0.711 1.00 62.03 N ATOM 1026 CZ ARG A 64 -7.296 -16.894 1.879 1.00 14.42 C ATOM 1027 NH1 ARG A 64 -6.322 -17.172 2.687 1.00 4.33 N ATOM 1028 NH2 ARG A 64 -8.510 -17.157 2.234 1.00 44.41 N ATOM 0 H ARG A 64 -5.190 -15.691 -4.108 1.00 10.14 H new ATOM 0 HA ARG A 64 -4.739 -18.536 -3.530 1.00 24.34 H new ATOM 0 HB2 ARG A 64 -6.248 -18.099 -1.417 1.00 51.24 H new ATOM 0 HB3 ARG A 64 -4.515 -17.867 -1.312 1.00 51.24 H new ATOM 0 HG2 ARG A 64 -4.821 -15.418 -1.645 1.00 4.32 H new ATOM 0 HG3 ARG A 64 -6.555 -15.649 -1.752 1.00 4.32 H new ATOM 0 HD2 ARG A 64 -4.986 -16.574 0.678 1.00 22.21 H new ATOM 0 HD3 ARG A 64 -5.552 -14.922 0.534 1.00 22.21 H new ATOM 0 HE ARG A 64 -7.867 -16.208 0.095 1.00 62.03 H new ATOM 0 HH11 ARG A 64 -5.360 -16.970 2.415 1.00 4.33 H new ATOM 0 HH12 ARG A 64 -6.517 -17.593 3.595 1.00 4.33 H new ATOM 0 HH21 ARG A 64 -9.283 -16.944 1.604 1.00 44.41 H new ATOM 0 HH22 ARG A 64 -8.695 -17.578 3.144 1.00 44.41 H new ATOM 1042 N ILE A 65 -7.550 -18.676 -3.343 1.00 31.35 N ATOM 1043 CA ILE A 65 -8.873 -19.017 -3.912 1.00 70.13 C ATOM 1044 C ILE A 65 -10.049 -18.491 -3.064 1.00 25.54 C ATOM 1045 O ILE A 65 -10.038 -18.566 -1.835 1.00 60.15 O ATOM 1046 CB ILE A 65 -9.011 -20.561 -4.098 1.00 14.22 C ATOM 1047 CG1 ILE A 65 -8.409 -20.997 -5.444 1.00 0.14 C ATOM 1048 CG2 ILE A 65 -10.468 -21.027 -3.988 1.00 40.21 C ATOM 1049 CD1 ILE A 65 -9.153 -20.455 -6.651 1.00 64.34 C ATOM 0 H ILE A 65 -7.344 -19.143 -2.460 1.00 31.35 H new ATOM 0 HA ILE A 65 -8.924 -18.521 -4.881 1.00 70.13 H new ATOM 0 HB ILE A 65 -8.455 -21.035 -3.289 1.00 14.22 H new ATOM 0 HG12 ILE A 65 -7.371 -20.668 -5.491 1.00 0.14 H new ATOM 0 HG13 ILE A 65 -8.401 -22.086 -5.492 1.00 0.14 H new ATOM 0 HG21 ILE A 65 -10.516 -22.107 -4.124 1.00 40.21 H new ATOM 0 HG22 ILE A 65 -10.860 -20.767 -3.005 1.00 40.21 H new ATOM 0 HG23 ILE A 65 -11.066 -20.538 -4.757 1.00 40.21 H new ATOM 0 HD11 ILE A 65 -8.670 -20.805 -7.563 1.00 64.34 H new ATOM 0 HD12 ILE A 65 -10.185 -20.805 -6.630 1.00 64.34 H new ATOM 0 HD13 ILE A 65 -9.139 -19.365 -6.628 1.00 64.34 H new ATOM 1061 N LEU A 66 -11.071 -17.966 -3.751 1.00 11.40 N ATOM 1062 CA LEU A 66 -12.312 -17.512 -3.105 1.00 2.30 C ATOM 1063 C LEU A 66 -13.366 -18.633 -3.067 1.00 0.53 C ATOM 1064 O LEU A 66 -13.968 -18.901 -2.028 1.00 23.01 O ATOM 1065 CB LEU A 66 -12.887 -16.301 -3.860 1.00 33.45 C ATOM 1066 CG LEU A 66 -14.236 -15.766 -3.337 1.00 30.31 C ATOM 1067 CD1 LEU A 66 -14.088 -15.178 -1.939 1.00 72.34 C ATOM 1068 CD2 LEU A 66 -14.820 -14.733 -4.299 1.00 52.50 C ATOM 0 H LEU A 66 -11.063 -17.844 -4.764 1.00 11.40 H new ATOM 0 HA LEU A 66 -12.069 -17.229 -2.081 1.00 2.30 H new ATOM 0 HB2 LEU A 66 -12.157 -15.492 -3.822 1.00 33.45 H new ATOM 0 HB3 LEU A 66 -13.007 -16.573 -4.909 1.00 33.45 H new ATOM 0 HG LEU A 66 -14.928 -16.606 -3.277 1.00 30.31 H new ATOM 0 HD11 LEU A 66 -15.054 -14.809 -1.595 1.00 72.34 H new ATOM 0 HD12 LEU A 66 -13.731 -15.949 -1.256 1.00 72.34 H new ATOM 0 HD13 LEU A 66 -13.373 -14.355 -1.964 1.00 72.34 H new ATOM 0 HD21 LEU A 66 -15.771 -14.370 -3.909 1.00 52.50 H new ATOM 0 HD22 LEU A 66 -14.127 -13.898 -4.401 1.00 52.50 H new ATOM 0 HD23 LEU A 66 -14.979 -15.193 -5.274 1.00 52.50 H new ATOM 1080 N SER A 67 -13.587 -19.280 -4.214 1.00 1.03 N ATOM 1081 CA SER A 67 -14.626 -20.318 -4.336 1.00 72.12 C ATOM 1082 C SER A 67 -14.226 -21.407 -5.346 1.00 31.33 C ATOM 1083 O SER A 67 -13.489 -21.139 -6.302 1.00 72.32 O ATOM 1084 CB SER A 67 -15.959 -19.684 -4.762 1.00 51.11 C ATOM 1085 OG SER A 67 -16.988 -20.658 -4.879 1.00 65.42 O ATOM 0 H SER A 67 -13.064 -19.107 -5.073 1.00 1.03 H new ATOM 0 HA SER A 67 -14.738 -20.788 -3.359 1.00 72.12 H new ATOM 0 HB2 SER A 67 -16.253 -18.929 -4.033 1.00 51.11 H new ATOM 0 HB3 SER A 67 -15.831 -19.173 -5.716 1.00 51.11 H new ATOM 0 HG SER A 67 -17.775 -20.253 -5.300 1.00 65.42 H new ATOM 1091 N LEU A 68 -14.727 -22.629 -5.142 1.00 63.34 N ATOM 1092 CA LEU A 68 -14.392 -23.775 -6.007 1.00 74.33 C ATOM 1093 C LEU A 68 -15.650 -24.463 -6.569 1.00 4.03 C ATOM 1094 O LEU A 68 -16.631 -24.674 -5.858 1.00 32.02 O ATOM 1095 CB LEU A 68 -13.557 -24.806 -5.232 1.00 34.55 C ATOM 1096 CG LEU A 68 -12.174 -24.323 -4.763 1.00 34.14 C ATOM 1097 CD1 LEU A 68 -11.490 -25.390 -3.913 1.00 23.14 C ATOM 1098 CD2 LEU A 68 -11.300 -23.948 -5.960 1.00 72.24 C ATOM 0 H LEU A 68 -15.369 -22.855 -4.383 1.00 63.34 H new ATOM 0 HA LEU A 68 -13.815 -23.382 -6.844 1.00 74.33 H new ATOM 0 HB2 LEU A 68 -14.126 -25.125 -4.359 1.00 34.55 H new ATOM 0 HB3 LEU A 68 -13.421 -25.685 -5.863 1.00 34.55 H new ATOM 0 HG LEU A 68 -12.314 -23.434 -4.148 1.00 34.14 H new ATOM 0 HD11 LEU A 68 -10.513 -25.028 -3.592 1.00 23.14 H new ATOM 0 HD12 LEU A 68 -12.103 -25.606 -3.038 1.00 23.14 H new ATOM 0 HD13 LEU A 68 -11.365 -26.299 -4.502 1.00 23.14 H new ATOM 0 HD21 LEU A 68 -10.326 -23.609 -5.607 1.00 72.24 H new ATOM 0 HD22 LEU A 68 -11.170 -24.819 -6.603 1.00 72.24 H new ATOM 0 HD23 LEU A 68 -11.780 -23.149 -6.525 1.00 72.24 H new ATOM 1110 N SER A 69 -15.610 -24.812 -7.853 1.00 23.05 N ATOM 1111 CA SER A 69 -16.687 -25.584 -8.487 1.00 24.42 C ATOM 1112 C SER A 69 -16.465 -27.086 -8.283 1.00 21.41 C ATOM 1113 O SER A 69 -15.338 -27.579 -8.393 1.00 33.44 O ATOM 1114 CB SER A 69 -16.790 -25.258 -9.986 1.00 74.53 C ATOM 1115 OG SER A 69 -15.546 -25.416 -10.643 1.00 71.44 O ATOM 0 H SER A 69 -14.842 -24.573 -8.480 1.00 23.05 H new ATOM 0 HA SER A 69 -17.627 -25.303 -8.012 1.00 24.42 H new ATOM 0 HB2 SER A 69 -17.532 -25.908 -10.450 1.00 74.53 H new ATOM 0 HB3 SER A 69 -17.141 -24.234 -10.112 1.00 74.53 H new ATOM 0 HG SER A 69 -15.649 -25.202 -11.594 1.00 71.44 H new ATOM 1121 N GLU A 70 -17.543 -27.803 -7.955 1.00 51.44 N ATOM 1122 CA GLU A 70 -17.479 -29.243 -7.675 1.00 52.13 C ATOM 1123 C GLU A 70 -16.473 -29.548 -6.546 1.00 73.55 C ATOM 1124 O GLU A 70 -15.962 -30.660 -6.433 1.00 22.35 O ATOM 1125 CB GLU A 70 -17.126 -30.021 -8.955 1.00 64.23 C ATOM 1126 CG GLU A 70 -18.048 -29.712 -10.137 1.00 64.30 C ATOM 1127 CD GLU A 70 -19.515 -30.009 -9.846 1.00 64.21 C ATOM 1128 OE1 GLU A 70 -20.222 -29.121 -9.322 1.00 43.44 O ATOM 1129 OE2 GLU A 70 -19.973 -31.135 -10.135 1.00 53.24 O ATOM 0 H GLU A 70 -18.480 -27.407 -7.876 1.00 51.44 H new ATOM 0 HA GLU A 70 -18.462 -29.568 -7.334 1.00 52.13 H new ATOM 0 HB2 GLU A 70 -16.099 -29.791 -9.237 1.00 64.23 H new ATOM 0 HB3 GLU A 70 -17.167 -31.089 -8.743 1.00 64.23 H new ATOM 0 HG2 GLU A 70 -17.943 -28.661 -10.407 1.00 64.30 H new ATOM 0 HG3 GLU A 70 -17.730 -30.296 -11.001 1.00 64.30 H new ATOM 1136 N SER A 71 -16.218 -28.539 -5.703 1.00 14.14 N ATOM 1137 CA SER A 71 -15.294 -28.658 -4.562 1.00 13.52 C ATOM 1138 C SER A 71 -13.834 -28.864 -4.998 1.00 1.42 C ATOM 1139 O SER A 71 -12.996 -29.284 -4.191 1.00 3.25 O ATOM 1140 CB SER A 71 -15.724 -29.803 -3.628 1.00 23.22 C ATOM 1141 OG SER A 71 -17.025 -29.574 -3.110 1.00 51.40 O ATOM 0 H SER A 71 -16.645 -27.617 -5.791 1.00 14.14 H new ATOM 0 HA SER A 71 -15.345 -27.710 -4.026 1.00 13.52 H new ATOM 0 HB2 SER A 71 -15.706 -30.747 -4.172 1.00 23.22 H new ATOM 0 HB3 SER A 71 -15.013 -29.895 -2.807 1.00 23.22 H new ATOM 0 HG SER A 71 -17.278 -30.315 -2.521 1.00 51.40 H new ATOM 1147 N GLY A 72 -13.518 -28.539 -6.253 1.00 12.41 N ATOM 1148 CA GLY A 72 -12.154 -28.728 -6.755 1.00 32.13 C ATOM 1149 C GLY A 72 -11.721 -27.677 -7.779 1.00 64.41 C ATOM 1150 O GLY A 72 -10.733 -26.965 -7.570 1.00 24.00 O ATOM 0 H GLY A 72 -14.174 -28.150 -6.931 1.00 12.41 H new ATOM 0 HA2 GLY A 72 -11.461 -28.709 -5.914 1.00 32.13 H new ATOM 0 HA3 GLY A 72 -12.077 -29.716 -7.208 1.00 32.13 H new ATOM 1154 N ARG A 73 -12.453 -27.580 -8.889 1.00 44.32 N ATOM 1155 CA ARG A 73 -12.106 -26.648 -9.972 1.00 24.55 C ATOM 1156 C ARG A 73 -12.254 -25.174 -9.527 1.00 63.12 C ATOM 1157 O ARG A 73 -13.077 -24.852 -8.673 1.00 14.33 O ATOM 1158 CB ARG A 73 -12.993 -26.922 -11.200 1.00 71.43 C ATOM 1159 CG ARG A 73 -12.605 -26.121 -12.444 1.00 22.14 C ATOM 1160 CD ARG A 73 -11.272 -26.584 -13.022 1.00 60.21 C ATOM 1161 NE ARG A 73 -10.756 -25.662 -14.034 1.00 20.43 N ATOM 1162 CZ ARG A 73 -9.679 -25.882 -14.741 1.00 41.25 C ATOM 1163 NH1 ARG A 73 -9.036 -27.003 -14.630 1.00 33.42 N ATOM 1164 NH2 ARG A 73 -9.248 -24.982 -15.565 1.00 40.12 N ATOM 0 H ARG A 73 -13.291 -28.134 -9.066 1.00 44.32 H new ATOM 0 HA ARG A 73 -11.060 -26.811 -10.233 1.00 24.55 H new ATOM 0 HB2 ARG A 73 -12.948 -27.985 -11.437 1.00 71.43 H new ATOM 0 HB3 ARG A 73 -14.028 -26.696 -10.944 1.00 71.43 H new ATOM 0 HG2 ARG A 73 -13.384 -26.223 -13.200 1.00 22.14 H new ATOM 0 HG3 ARG A 73 -12.543 -25.063 -12.190 1.00 22.14 H new ATOM 0 HD2 ARG A 73 -10.544 -26.681 -12.217 1.00 60.21 H new ATOM 0 HD3 ARG A 73 -11.394 -27.573 -13.463 1.00 60.21 H new ATOM 0 HE ARG A 73 -11.268 -24.795 -14.198 1.00 20.43 H new ATOM 0 HH11 ARG A 73 -9.370 -27.721 -13.987 1.00 33.42 H new ATOM 0 HH12 ARG A 73 -8.196 -27.166 -15.186 1.00 33.42 H new ATOM 0 HH21 ARG A 73 -9.749 -24.099 -15.664 1.00 40.12 H new ATOM 0 HH22 ARG A 73 -8.407 -25.156 -16.116 1.00 40.12 H new ATOM 1178 N VAL A 74 -11.447 -24.285 -10.108 1.00 62.05 N ATOM 1179 CA VAL A 74 -11.470 -22.855 -9.753 1.00 60.03 C ATOM 1180 C VAL A 74 -12.744 -22.138 -10.243 1.00 12.14 C ATOM 1181 O VAL A 74 -13.151 -22.286 -11.397 1.00 54.10 O ATOM 1182 CB VAL A 74 -10.232 -22.115 -10.331 1.00 20.21 C ATOM 1183 CG1 VAL A 74 -10.311 -20.611 -10.062 1.00 13.41 C ATOM 1184 CG2 VAL A 74 -8.939 -22.698 -9.765 1.00 3.42 C ATOM 0 H VAL A 74 -10.766 -24.525 -10.828 1.00 62.05 H new ATOM 0 HA VAL A 74 -11.454 -22.821 -8.664 1.00 60.03 H new ATOM 0 HB VAL A 74 -10.230 -22.262 -11.411 1.00 20.21 H new ATOM 0 HG11 VAL A 74 -9.431 -20.120 -10.478 1.00 13.41 H new ATOM 0 HG12 VAL A 74 -11.208 -20.204 -10.529 1.00 13.41 H new ATOM 0 HG13 VAL A 74 -10.350 -20.435 -8.987 1.00 13.41 H new ATOM 0 HG21 VAL A 74 -8.086 -22.165 -10.184 1.00 3.42 H new ATOM 0 HG22 VAL A 74 -8.936 -22.592 -8.680 1.00 3.42 H new ATOM 0 HG23 VAL A 74 -8.871 -23.754 -10.027 1.00 3.42 H new ATOM 1194 N ARG A 75 -13.371 -21.374 -9.343 1.00 15.41 N ATOM 1195 CA ARG A 75 -14.458 -20.449 -9.707 1.00 14.30 C ATOM 1196 C ARG A 75 -13.948 -19.003 -9.722 1.00 41.02 C ATOM 1197 O ARG A 75 -13.854 -18.359 -10.767 1.00 2.23 O ATOM 1198 CB ARG A 75 -15.613 -20.530 -8.698 1.00 62.23 C ATOM 1199 CG ARG A 75 -16.437 -21.804 -8.759 1.00 14.44 C ATOM 1200 CD ARG A 75 -17.644 -21.719 -7.830 1.00 60.21 C ATOM 1201 NE ARG A 75 -18.484 -22.910 -7.896 1.00 23.23 N ATOM 1202 CZ ARG A 75 -19.379 -23.128 -8.821 1.00 32.32 C ATOM 1203 NH1 ARG A 75 -19.570 -22.270 -9.774 1.00 32.14 N ATOM 1204 NH2 ARG A 75 -20.093 -24.204 -8.789 1.00 40.20 N ATOM 0 H ARG A 75 -13.145 -21.376 -8.348 1.00 15.41 H new ATOM 0 HA ARG A 75 -14.810 -20.739 -10.697 1.00 14.30 H new ATOM 0 HB2 ARG A 75 -15.204 -20.429 -7.693 1.00 62.23 H new ATOM 0 HB3 ARG A 75 -16.276 -19.680 -8.860 1.00 62.23 H new ATOM 0 HG2 ARG A 75 -16.772 -21.976 -9.782 1.00 14.44 H new ATOM 0 HG3 ARG A 75 -15.817 -22.656 -8.479 1.00 14.44 H new ATOM 0 HD2 ARG A 75 -17.301 -21.577 -6.805 1.00 60.21 H new ATOM 0 HD3 ARG A 75 -18.239 -20.844 -8.091 1.00 60.21 H new ATOM 0 HE ARG A 75 -18.364 -23.619 -7.172 1.00 23.23 H new ATOM 0 HH11 ARG A 75 -19.018 -21.413 -9.807 1.00 32.14 H new ATOM 0 HH12 ARG A 75 -20.272 -22.452 -10.491 1.00 32.14 H new ATOM 0 HH21 ARG A 75 -19.958 -24.884 -8.041 1.00 40.20 H new ATOM 0 HH22 ARG A 75 -20.792 -24.374 -9.512 1.00 40.20 H new ATOM 1218 N GLU A 76 -13.634 -18.508 -8.531 1.00 13.04 N ATOM 1219 CA GLU A 76 -13.162 -17.136 -8.341 1.00 53.25 C ATOM 1220 C GLU A 76 -11.813 -17.131 -7.614 1.00 32.21 C ATOM 1221 O GLU A 76 -11.682 -17.691 -6.521 1.00 32.22 O ATOM 1222 CB GLU A 76 -14.196 -16.340 -7.531 1.00 63.20 C ATOM 1223 CG GLU A 76 -15.561 -16.235 -8.203 1.00 34.51 C ATOM 1224 CD GLU A 76 -16.648 -15.763 -7.252 1.00 40.20 C ATOM 1225 OE1 GLU A 76 -17.227 -16.612 -6.543 1.00 64.02 O ATOM 1226 OE2 GLU A 76 -16.933 -14.547 -7.207 1.00 61.54 O ATOM 0 H GLU A 76 -13.699 -19.045 -7.666 1.00 13.04 H new ATOM 0 HA GLU A 76 -13.033 -16.670 -9.318 1.00 53.25 H new ATOM 0 HB2 GLU A 76 -14.318 -16.810 -6.555 1.00 63.20 H new ATOM 0 HB3 GLU A 76 -13.810 -15.336 -7.356 1.00 63.20 H new ATOM 0 HG2 GLU A 76 -15.495 -15.545 -9.044 1.00 34.51 H new ATOM 0 HG3 GLU A 76 -15.837 -17.208 -8.610 1.00 34.51 H new ATOM 1233 N PHE A 77 -10.814 -16.510 -8.228 1.00 40.23 N ATOM 1234 CA PHE A 77 -9.473 -16.439 -7.649 1.00 34.11 C ATOM 1235 C PHE A 77 -9.339 -15.199 -6.745 1.00 60.32 C ATOM 1236 O PHE A 77 -9.634 -14.079 -7.157 1.00 42.32 O ATOM 1237 CB PHE A 77 -8.431 -16.412 -8.774 1.00 31.14 C ATOM 1238 CG PHE A 77 -7.050 -16.816 -8.333 1.00 4.12 C ATOM 1239 CD1 PHE A 77 -6.751 -18.151 -8.095 1.00 73.40 C ATOM 1240 CD2 PHE A 77 -6.050 -15.873 -8.171 1.00 23.20 C ATOM 1241 CE1 PHE A 77 -5.483 -18.533 -7.704 1.00 74.30 C ATOM 1242 CE2 PHE A 77 -4.784 -16.251 -7.779 1.00 2.31 C ATOM 1243 CZ PHE A 77 -4.498 -17.581 -7.545 1.00 72.14 C ATOM 0 H PHE A 77 -10.905 -16.045 -9.131 1.00 40.23 H new ATOM 0 HA PHE A 77 -9.302 -17.320 -7.031 1.00 34.11 H new ATOM 0 HB2 PHE A 77 -8.756 -17.078 -9.574 1.00 31.14 H new ATOM 0 HB3 PHE A 77 -8.389 -15.407 -9.193 1.00 31.14 H new ATOM 0 HD1 PHE A 77 -7.520 -18.900 -8.217 1.00 73.40 H new ATOM 0 HD2 PHE A 77 -6.264 -14.830 -8.354 1.00 23.20 H new ATOM 0 HE1 PHE A 77 -5.263 -19.575 -7.523 1.00 74.30 H new ATOM 0 HE2 PHE A 77 -4.013 -15.505 -7.655 1.00 2.31 H new ATOM 0 HZ PHE A 77 -3.505 -17.875 -7.238 1.00 72.14 H new ATOM 1253 N GLU A 78 -8.897 -15.410 -5.509 1.00 23.04 N ATOM 1254 CA GLU A 78 -8.844 -14.343 -4.500 1.00 1.12 C ATOM 1255 C GLU A 78 -7.435 -13.737 -4.377 1.00 13.30 C ATOM 1256 O GLU A 78 -6.492 -14.404 -3.951 1.00 12.34 O ATOM 1257 CB GLU A 78 -9.299 -14.901 -3.143 1.00 64.45 C ATOM 1258 CG GLU A 78 -9.484 -13.847 -2.055 1.00 73.14 C ATOM 1259 CD GLU A 78 -9.944 -14.451 -0.736 1.00 75.14 C ATOM 1260 OE1 GLU A 78 -11.150 -14.745 -0.594 1.00 25.13 O ATOM 1261 OE2 GLU A 78 -9.102 -14.646 0.163 1.00 5.41 O ATOM 0 H GLU A 78 -8.567 -16.315 -5.175 1.00 23.04 H new ATOM 0 HA GLU A 78 -9.514 -13.544 -4.818 1.00 1.12 H new ATOM 0 HB2 GLU A 78 -10.241 -15.432 -3.280 1.00 64.45 H new ATOM 0 HB3 GLU A 78 -8.567 -15.633 -2.801 1.00 64.45 H new ATOM 0 HG2 GLU A 78 -8.543 -13.318 -1.901 1.00 73.14 H new ATOM 0 HG3 GLU A 78 -10.214 -13.109 -2.388 1.00 73.14 H new ATOM 1268 N LEU A 79 -7.305 -12.469 -4.756 1.00 2.34 N ATOM 1269 CA LEU A 79 -6.042 -11.733 -4.617 1.00 33.24 C ATOM 1270 C LEU A 79 -6.069 -10.882 -3.341 1.00 32.43 C ATOM 1271 O LEU A 79 -7.046 -10.179 -3.088 1.00 32.54 O ATOM 1272 CB LEU A 79 -5.815 -10.824 -5.837 1.00 22.41 C ATOM 1273 CG LEU A 79 -5.912 -11.513 -7.210 1.00 63.13 C ATOM 1274 CD1 LEU A 79 -5.731 -10.502 -8.339 1.00 72.40 C ATOM 1275 CD2 LEU A 79 -4.891 -12.642 -7.322 1.00 0.24 C ATOM 0 H LEU A 79 -8.062 -11.922 -5.165 1.00 2.34 H new ATOM 0 HA LEU A 79 -5.226 -12.453 -4.554 1.00 33.24 H new ATOM 0 HB2 LEU A 79 -6.545 -10.015 -5.805 1.00 22.41 H new ATOM 0 HB3 LEU A 79 -4.829 -10.368 -5.749 1.00 22.41 H new ATOM 0 HG LEU A 79 -6.908 -11.947 -7.302 1.00 63.13 H new ATOM 0 HD11 LEU A 79 -5.804 -11.012 -9.299 1.00 72.40 H new ATOM 0 HD12 LEU A 79 -6.508 -9.740 -8.273 1.00 72.40 H new ATOM 0 HD13 LEU A 79 -4.752 -10.030 -8.252 1.00 72.40 H new ATOM 0 HD21 LEU A 79 -4.977 -13.115 -8.300 1.00 0.24 H new ATOM 0 HD22 LEU A 79 -3.886 -12.237 -7.202 1.00 0.24 H new ATOM 0 HD23 LEU A 79 -5.079 -13.381 -6.544 1.00 0.24 H new ATOM 1287 N VAL A 80 -5.005 -10.930 -2.543 1.00 41.33 N ATOM 1288 CA VAL A 80 -4.970 -10.176 -1.283 1.00 31.43 C ATOM 1289 C VAL A 80 -3.642 -9.420 -1.086 1.00 0.13 C ATOM 1290 O VAL A 80 -2.552 -9.972 -1.265 1.00 2.41 O ATOM 1291 CB VAL A 80 -5.236 -11.107 -0.068 1.00 11.34 C ATOM 1292 CG1 VAL A 80 -4.198 -12.224 0.012 1.00 2.34 C ATOM 1293 CG2 VAL A 80 -5.284 -10.305 1.235 1.00 72.31 C ATOM 0 H VAL A 80 -4.164 -11.474 -2.738 1.00 41.33 H new ATOM 0 HA VAL A 80 -5.766 -9.434 -1.345 1.00 31.43 H new ATOM 0 HB VAL A 80 -6.211 -11.573 -0.213 1.00 11.34 H new ATOM 0 HG11 VAL A 80 -4.412 -12.858 0.872 1.00 2.34 H new ATOM 0 HG12 VAL A 80 -4.237 -12.822 -0.898 1.00 2.34 H new ATOM 0 HG13 VAL A 80 -3.204 -11.790 0.119 1.00 2.34 H new ATOM 0 HG21 VAL A 80 -5.471 -10.979 2.071 1.00 72.31 H new ATOM 0 HG22 VAL A 80 -4.331 -9.797 1.385 1.00 72.31 H new ATOM 0 HG23 VAL A 80 -6.084 -9.566 1.178 1.00 72.31 H new ATOM 1303 N TYR A 81 -3.755 -8.143 -0.724 1.00 21.32 N ATOM 1304 CA TYR A 81 -2.592 -7.300 -0.431 1.00 4.12 C ATOM 1305 C TYR A 81 -2.809 -6.521 0.880 1.00 13.25 C ATOM 1306 O TYR A 81 -3.736 -5.716 0.989 1.00 21.14 O ATOM 1307 CB TYR A 81 -2.339 -6.332 -1.598 1.00 13.20 C ATOM 1308 CG TYR A 81 -1.065 -5.513 -1.472 1.00 64.12 C ATOM 1309 CD1 TYR A 81 0.185 -6.114 -1.585 1.00 33.13 C ATOM 1310 CD2 TYR A 81 -1.109 -4.142 -1.243 1.00 70.21 C ATOM 1311 CE1 TYR A 81 1.348 -5.376 -1.474 1.00 20.34 C ATOM 1312 CE2 TYR A 81 0.051 -3.398 -1.132 1.00 54.04 C ATOM 1313 CZ TYR A 81 1.277 -4.019 -1.248 1.00 44.30 C ATOM 1314 OH TYR A 81 2.433 -3.282 -1.136 1.00 51.14 O ATOM 0 H TYR A 81 -4.650 -7.663 -0.625 1.00 21.32 H new ATOM 0 HA TYR A 81 -1.716 -7.938 -0.308 1.00 4.12 H new ATOM 0 HB2 TYR A 81 -2.298 -6.903 -2.525 1.00 13.20 H new ATOM 0 HB3 TYR A 81 -3.187 -5.652 -1.680 1.00 13.20 H new ATOM 0 HD1 TYR A 81 0.247 -7.177 -1.763 1.00 33.13 H new ATOM 0 HD2 TYR A 81 -2.066 -3.650 -1.150 1.00 70.21 H new ATOM 0 HE1 TYR A 81 2.309 -5.861 -1.564 1.00 20.34 H new ATOM 0 HE2 TYR A 81 -0.003 -2.334 -0.955 1.00 54.04 H new ATOM 0 HH TYR A 81 3.138 -3.694 -1.678 1.00 51.14 H new ATOM 1324 N ARG A 82 -1.961 -6.776 1.880 1.00 14.11 N ATOM 1325 CA ARG A 82 -2.107 -6.153 3.206 1.00 40.13 C ATOM 1326 C ARG A 82 -0.846 -5.373 3.613 1.00 63.24 C ATOM 1327 O ARG A 82 0.267 -5.882 3.510 1.00 33.40 O ATOM 1328 CB ARG A 82 -2.419 -7.228 4.261 1.00 71.02 C ATOM 1329 CG ARG A 82 -3.693 -8.019 3.975 1.00 32.35 C ATOM 1330 CD ARG A 82 -3.988 -9.048 5.063 1.00 11.24 C ATOM 1331 NE ARG A 82 -2.909 -10.024 5.213 1.00 54.21 N ATOM 1332 CZ ARG A 82 -2.925 -11.229 4.705 1.00 12.32 C ATOM 1333 NH1 ARG A 82 -3.929 -11.643 3.998 1.00 34.01 N ATOM 1334 NH2 ARG A 82 -1.931 -12.023 4.923 1.00 40.04 N ATOM 0 H ARG A 82 -1.165 -7.409 1.800 1.00 14.11 H new ATOM 0 HA ARG A 82 -2.933 -5.444 3.148 1.00 40.13 H new ATOM 0 HB2 ARG A 82 -1.579 -7.920 4.321 1.00 71.02 H new ATOM 0 HB3 ARG A 82 -2.510 -6.751 5.237 1.00 71.02 H new ATOM 0 HG2 ARG A 82 -4.534 -7.331 3.890 1.00 32.35 H new ATOM 0 HG3 ARG A 82 -3.597 -8.525 3.015 1.00 32.35 H new ATOM 0 HD2 ARG A 82 -4.145 -8.535 6.012 1.00 11.24 H new ATOM 0 HD3 ARG A 82 -4.915 -9.569 4.825 1.00 11.24 H new ATOM 0 HE ARG A 82 -2.088 -9.746 5.751 1.00 54.21 H new ATOM 0 HH11 ARG A 82 -4.724 -11.026 3.830 1.00 34.01 H new ATOM 0 HH12 ARG A 82 -3.925 -12.586 3.609 1.00 34.01 H new ATOM 0 HH21 ARG A 82 -1.142 -11.709 5.487 1.00 40.04 H new ATOM 0 HH22 ARG A 82 -1.935 -12.965 4.531 1.00 40.04 H new ATOM 1348 N VAL A 83 -1.027 -4.138 4.077 1.00 11.51 N ATOM 1349 CA VAL A 83 0.098 -3.298 4.513 1.00 32.10 C ATOM 1350 C VAL A 83 -0.084 -2.807 5.959 1.00 32.44 C ATOM 1351 O VAL A 83 -1.148 -2.310 6.330 1.00 24.33 O ATOM 1352 CB VAL A 83 0.287 -2.066 3.586 1.00 62.33 C ATOM 1353 CG1 VAL A 83 1.477 -1.218 4.041 1.00 1.32 C ATOM 1354 CG2 VAL A 83 0.460 -2.501 2.131 1.00 12.41 C ATOM 0 H VAL A 83 -1.941 -3.692 4.163 1.00 11.51 H new ATOM 0 HA VAL A 83 0.986 -3.928 4.458 1.00 32.10 H new ATOM 0 HB VAL A 83 -0.612 -1.454 3.654 1.00 62.33 H new ATOM 0 HG11 VAL A 83 1.589 -0.361 3.376 1.00 1.32 H new ATOM 0 HG12 VAL A 83 1.306 -0.867 5.059 1.00 1.32 H new ATOM 0 HG13 VAL A 83 2.385 -1.820 4.012 1.00 1.32 H new ATOM 0 HG21 VAL A 83 0.591 -1.621 1.501 1.00 12.41 H new ATOM 0 HG22 VAL A 83 1.337 -3.142 2.045 1.00 12.41 H new ATOM 0 HG23 VAL A 83 -0.424 -3.050 1.808 1.00 12.41 H new ATOM 1364 N ALA A 84 0.962 -2.958 6.769 1.00 31.13 N ATOM 1365 CA ALA A 84 0.982 -2.417 8.135 1.00 52.51 C ATOM 1366 C ALA A 84 2.016 -1.285 8.246 1.00 62.22 C ATOM 1367 O ALA A 84 3.107 -1.378 7.677 1.00 42.31 O ATOM 1368 CB ALA A 84 1.294 -3.525 9.139 1.00 60.40 C ATOM 0 H ALA A 84 1.814 -3.453 6.505 1.00 31.13 H new ATOM 0 HA ALA A 84 -0.003 -2.010 8.363 1.00 52.51 H new ATOM 0 HB1 ALA A 84 1.306 -3.110 10.147 1.00 60.40 H new ATOM 0 HB2 ALA A 84 0.530 -4.300 9.074 1.00 60.40 H new ATOM 0 HB3 ALA A 84 2.269 -3.957 8.913 1.00 60.40 H new ATOM 1374 N ALA A 85 1.682 -0.218 8.976 1.00 53.44 N ATOM 1375 CA ALA A 85 2.569 0.948 9.085 1.00 23.22 C ATOM 1376 C ALA A 85 2.550 1.576 10.491 1.00 62.01 C ATOM 1377 O ALA A 85 1.691 1.268 11.314 1.00 0.02 O ATOM 1378 CB ALA A 85 2.196 1.986 8.029 1.00 21.21 C ATOM 0 H ALA A 85 0.810 -0.135 9.498 1.00 53.44 H new ATOM 0 HA ALA A 85 3.587 0.600 8.911 1.00 23.22 H new ATOM 0 HB1 ALA A 85 2.858 2.848 8.116 1.00 21.21 H new ATOM 0 HB2 ALA A 85 2.299 1.548 7.036 1.00 21.21 H new ATOM 0 HB3 ALA A 85 1.164 2.304 8.180 1.00 21.21 H new ATOM 1384 N ARG A 86 3.522 2.452 10.753 1.00 73.53 N ATOM 1385 CA ARG A 86 3.639 3.158 12.037 1.00 14.02 C ATOM 1386 C ARG A 86 3.839 4.665 11.807 1.00 61.44 C ATOM 1387 O ARG A 86 4.533 5.071 10.871 1.00 52.23 O ATOM 1388 CB ARG A 86 4.826 2.606 12.844 1.00 41.33 C ATOM 1389 CG ARG A 86 4.751 1.106 13.114 1.00 74.44 C ATOM 1390 CD ARG A 86 6.012 0.591 13.800 1.00 75.14 C ATOM 1391 NE ARG A 86 5.959 -0.849 14.037 1.00 12.14 N ATOM 1392 CZ ARG A 86 7.006 -1.627 14.082 1.00 21.34 C ATOM 1393 NH1 ARG A 86 8.198 -1.151 13.896 1.00 63.01 N ATOM 1394 NH2 ARG A 86 6.860 -2.888 14.313 1.00 2.21 N ATOM 0 H ARG A 86 4.252 2.694 10.083 1.00 73.53 H new ATOM 0 HA ARG A 86 2.717 3.000 12.596 1.00 14.02 H new ATOM 0 HB2 ARG A 86 5.749 2.822 12.306 1.00 41.33 H new ATOM 0 HB3 ARG A 86 4.881 3.134 13.796 1.00 41.33 H new ATOM 0 HG2 ARG A 86 3.884 0.892 13.739 1.00 74.44 H new ATOM 0 HG3 ARG A 86 4.605 0.574 12.174 1.00 74.44 H new ATOM 0 HD2 ARG A 86 6.880 0.825 13.184 1.00 75.14 H new ATOM 0 HD3 ARG A 86 6.145 1.110 14.749 1.00 75.14 H new ATOM 0 HE ARG A 86 5.043 -1.275 14.177 1.00 12.14 H new ATOM 0 HH11 ARG A 86 8.327 -0.156 13.712 1.00 63.01 H new ATOM 0 HH12 ARG A 86 9.007 -1.772 13.934 1.00 63.01 H new ATOM 0 HH21 ARG A 86 5.928 -3.275 14.460 1.00 2.21 H new ATOM 0 HH22 ARG A 86 7.677 -3.498 14.349 1.00 2.21 H new ATOM 1408 N LEU A 87 3.247 5.488 12.666 1.00 70.03 N ATOM 1409 CA LEU A 87 3.354 6.945 12.539 1.00 72.22 C ATOM 1410 C LEU A 87 4.040 7.538 13.783 1.00 22.42 C ATOM 1411 O LEU A 87 3.469 7.558 14.876 1.00 63.20 O ATOM 1412 CB LEU A 87 1.947 7.541 12.324 1.00 63.51 C ATOM 1413 CG LEU A 87 1.882 8.979 11.764 1.00 13.01 C ATOM 1414 CD1 LEU A 87 0.494 9.262 11.192 1.00 31.43 C ATOM 1415 CD2 LEU A 87 2.223 10.015 12.837 1.00 25.35 C ATOM 0 H LEU A 87 2.687 5.175 13.459 1.00 70.03 H new ATOM 0 HA LEU A 87 3.970 7.199 11.676 1.00 72.22 H new ATOM 0 HB2 LEU A 87 1.400 6.886 11.645 1.00 63.51 H new ATOM 0 HB3 LEU A 87 1.420 7.523 13.278 1.00 63.51 H new ATOM 0 HG LEU A 87 2.624 9.058 10.969 1.00 13.01 H new ATOM 0 HD11 LEU A 87 0.462 10.279 10.801 1.00 31.43 H new ATOM 0 HD12 LEU A 87 0.281 8.557 10.388 1.00 31.43 H new ATOM 0 HD13 LEU A 87 -0.253 9.152 11.978 1.00 31.43 H new ATOM 0 HD21 LEU A 87 2.167 11.015 12.408 1.00 25.35 H new ATOM 0 HD22 LEU A 87 1.513 9.933 13.660 1.00 25.35 H new ATOM 0 HD23 LEU A 87 3.232 9.835 13.209 1.00 25.35 H new ATOM 1427 N LEU A 88 5.277 8.003 13.612 1.00 11.13 N ATOM 1428 CA LEU A 88 6.085 8.510 14.731 1.00 74.44 C ATOM 1429 C LEU A 88 6.441 9.997 14.546 1.00 3.03 C ATOM 1430 O LEU A 88 6.187 10.587 13.494 1.00 41.44 O ATOM 1431 CB LEU A 88 7.373 7.675 14.888 1.00 33.34 C ATOM 1432 CG LEU A 88 7.186 6.142 14.831 1.00 11.41 C ATOM 1433 CD1 LEU A 88 7.265 5.637 13.393 1.00 71.35 C ATOM 1434 CD2 LEU A 88 8.209 5.428 15.712 1.00 40.35 C ATOM 0 H LEU A 88 5.747 8.041 12.707 1.00 11.13 H new ATOM 0 HA LEU A 88 5.485 8.418 15.636 1.00 74.44 H new ATOM 0 HB2 LEU A 88 8.072 7.967 14.104 1.00 33.34 H new ATOM 0 HB3 LEU A 88 7.837 7.931 15.840 1.00 33.34 H new ATOM 0 HG LEU A 88 6.193 5.914 15.218 1.00 11.41 H new ATOM 0 HD11 LEU A 88 7.130 4.555 13.379 1.00 71.35 H new ATOM 0 HD12 LEU A 88 6.482 6.108 12.799 1.00 71.35 H new ATOM 0 HD13 LEU A 88 8.239 5.887 12.973 1.00 71.35 H new ATOM 0 HD21 LEU A 88 8.053 4.351 15.652 1.00 40.35 H new ATOM 0 HD22 LEU A 88 9.215 5.668 15.369 1.00 40.35 H new ATOM 0 HD23 LEU A 88 8.090 5.754 16.745 1.00 40.35 H new ATOM 1446 N ASP A 89 7.034 10.597 15.577 1.00 55.12 N ATOM 1447 CA ASP A 89 7.425 12.013 15.536 1.00 52.12 C ATOM 1448 C ASP A 89 8.863 12.188 15.010 1.00 31.11 C ATOM 1449 O ASP A 89 9.489 11.232 14.551 1.00 23.32 O ATOM 1450 CB ASP A 89 7.312 12.618 16.939 1.00 2.45 C ATOM 1451 CG ASP A 89 8.440 12.159 17.845 1.00 71.23 C ATOM 1452 OD1 ASP A 89 8.488 10.962 18.185 1.00 73.25 O ATOM 1453 OD2 ASP A 89 9.296 12.998 18.202 1.00 32.44 O ATOM 0 H ASP A 89 7.256 10.127 16.455 1.00 55.12 H new ATOM 0 HA ASP A 89 6.752 12.530 14.852 1.00 52.12 H new ATOM 0 HB2 ASP A 89 7.323 13.706 16.867 1.00 2.45 H new ATOM 0 HB3 ASP A 89 6.355 12.337 17.380 1.00 2.45 H new ATOM 1458 N ALA A 90 9.380 13.415 15.110 1.00 44.22 N ATOM 1459 CA ALA A 90 10.745 13.749 14.671 1.00 23.33 C ATOM 1460 C ALA A 90 11.815 12.804 15.248 1.00 11.34 C ATOM 1461 O ALA A 90 12.728 12.380 14.539 1.00 62.32 O ATOM 1462 CB ALA A 90 11.074 15.187 15.058 1.00 44.03 C ATOM 0 H ALA A 90 8.868 14.208 15.497 1.00 44.22 H new ATOM 0 HA ALA A 90 10.764 13.629 13.588 1.00 23.33 H new ATOM 0 HB1 ALA A 90 12.085 15.430 14.731 1.00 44.03 H new ATOM 0 HB2 ALA A 90 10.366 15.864 14.580 1.00 44.03 H new ATOM 0 HB3 ALA A 90 11.006 15.297 16.140 1.00 44.03 H new ATOM 1468 N HIS A 91 11.704 12.483 16.534 1.00 11.02 N ATOM 1469 CA HIS A 91 12.720 11.667 17.213 1.00 75.02 C ATOM 1470 C HIS A 91 12.354 10.173 17.207 1.00 2.13 C ATOM 1471 O HIS A 91 13.009 9.364 17.867 1.00 0.33 O ATOM 1472 CB HIS A 91 12.919 12.173 18.646 1.00 62.41 C ATOM 1473 CG HIS A 91 13.319 13.619 18.698 1.00 11.43 C ATOM 1474 ND1 HIS A 91 14.599 14.059 18.431 1.00 20.33 N ATOM 1475 CD2 HIS A 91 12.593 14.732 18.957 1.00 35.41 C ATOM 1476 CE1 HIS A 91 14.642 15.372 18.525 1.00 65.44 C ATOM 1477 NE2 HIS A 91 13.441 15.805 18.841 1.00 74.53 N ATOM 0 H HIS A 91 10.927 12.771 17.129 1.00 11.02 H new ATOM 0 HA HIS A 91 13.656 11.767 16.664 1.00 75.02 H new ATOM 0 HB2 HIS A 91 11.995 12.035 19.207 1.00 62.41 H new ATOM 0 HB3 HIS A 91 13.683 11.571 19.137 1.00 62.41 H new ATOM 0 HD2 HIS A 91 11.543 14.769 19.208 1.00 35.41 H new ATOM 0 HE1 HIS A 91 15.515 15.988 18.369 1.00 65.44 H new ATOM 0 HE2 HIS A 91 13.181 16.782 18.978 1.00 74.53 H new ATOM 1486 N ASN A 92 11.316 9.826 16.444 1.00 61.54 N ATOM 1487 CA ASN A 92 10.885 8.433 16.260 1.00 21.11 C ATOM 1488 C ASN A 92 10.377 7.792 17.569 1.00 34.11 C ATOM 1489 O ASN A 92 11.082 7.023 18.227 1.00 51.44 O ATOM 1490 CB ASN A 92 12.017 7.593 15.638 1.00 53.40 C ATOM 1491 CG ASN A 92 11.571 6.199 15.240 1.00 34.30 C ATOM 1492 OD1 ASN A 92 11.077 6.060 14.028 1.00 74.43 O flip ATOM 1493 ND2 ASN A 92 11.659 5.255 16.016 1.00 3.24 N flip ATOM 0 H ASN A 92 10.747 10.502 15.934 1.00 61.54 H new ATOM 0 HA ASN A 92 10.040 8.448 15.571 1.00 21.11 H new ATOM 0 HB2 ASN A 92 12.404 8.109 14.760 1.00 53.40 H new ATOM 0 HB3 ASN A 92 12.838 7.516 16.350 1.00 53.40 H new ATOM 0 HD21 ASN A 92 12.047 5.396 16.949 1.00 3.24 H new ATOM 0 HD22 ASN A 92 11.345 4.328 15.729 1.00 3.24 H new ATOM 1500 N ALA A 93 9.158 8.156 17.960 1.00 35.42 N ATOM 1501 CA ALA A 93 8.445 7.485 19.051 1.00 51.24 C ATOM 1502 C ALA A 93 7.004 7.177 18.629 1.00 44.11 C ATOM 1503 O ALA A 93 6.386 7.947 17.889 1.00 40.04 O ATOM 1504 CB ALA A 93 8.465 8.341 20.310 1.00 62.10 C ATOM 0 H ALA A 93 8.636 8.921 17.533 1.00 35.42 H new ATOM 0 HA ALA A 93 8.951 6.545 19.272 1.00 51.24 H new ATOM 0 HB1 ALA A 93 7.931 7.826 21.109 1.00 62.10 H new ATOM 0 HB2 ALA A 93 9.497 8.514 20.616 1.00 62.10 H new ATOM 0 HB3 ALA A 93 7.982 9.297 20.108 1.00 62.10 H new ATOM 1510 N GLU A 94 6.469 6.055 19.095 1.00 25.23 N ATOM 1511 CA GLU A 94 5.147 5.587 18.658 1.00 41.44 C ATOM 1512 C GLU A 94 3.993 6.361 19.327 1.00 24.43 C ATOM 1513 O GLU A 94 3.225 5.808 20.117 1.00 42.45 O ATOM 1514 CB GLU A 94 4.992 4.065 18.887 1.00 72.23 C ATOM 1515 CG GLU A 94 5.189 3.588 20.333 1.00 70.33 C ATOM 1516 CD GLU A 94 6.643 3.615 20.792 1.00 34.53 C ATOM 1517 OE1 GLU A 94 7.398 2.687 20.439 1.00 10.25 O ATOM 1518 OE2 GLU A 94 7.041 4.572 21.496 1.00 61.43 O ATOM 0 H GLU A 94 6.926 5.448 19.776 1.00 25.23 H new ATOM 0 HA GLU A 94 5.084 5.786 17.588 1.00 41.44 H new ATOM 0 HB2 GLU A 94 3.997 3.766 18.557 1.00 72.23 H new ATOM 0 HB3 GLU A 94 5.709 3.545 18.251 1.00 72.23 H new ATOM 0 HG2 GLU A 94 4.595 4.215 20.998 1.00 70.33 H new ATOM 0 HG3 GLU A 94 4.806 2.572 20.427 1.00 70.33 H new ATOM 1525 N LEU A 95 3.872 7.649 19.005 1.00 13.31 N ATOM 1526 CA LEU A 95 2.747 8.463 19.484 1.00 32.31 C ATOM 1527 C LEU A 95 1.456 8.109 18.732 1.00 55.03 C ATOM 1528 O LEU A 95 0.351 8.332 19.228 1.00 50.10 O ATOM 1529 CB LEU A 95 3.044 9.968 19.327 1.00 5.33 C ATOM 1530 CG LEU A 95 4.033 10.577 20.342 1.00 73.24 C ATOM 1531 CD1 LEU A 95 3.578 10.309 21.774 1.00 13.40 C ATOM 1532 CD2 LEU A 95 5.452 10.062 20.115 1.00 74.33 C ATOM 0 H LEU A 95 4.535 8.153 18.416 1.00 13.31 H new ATOM 0 HA LEU A 95 2.611 8.242 20.543 1.00 32.31 H new ATOM 0 HB2 LEU A 95 3.435 10.137 18.324 1.00 5.33 H new ATOM 0 HB3 LEU A 95 2.102 10.512 19.398 1.00 5.33 H new ATOM 0 HG LEU A 95 4.045 11.656 20.186 1.00 73.24 H new ATOM 0 HD11 LEU A 95 4.292 10.748 22.471 1.00 13.40 H new ATOM 0 HD12 LEU A 95 2.595 10.753 21.933 1.00 13.40 H new ATOM 0 HD13 LEU A 95 3.521 9.234 21.943 1.00 13.40 H new ATOM 0 HD21 LEU A 95 6.123 10.511 20.847 1.00 74.33 H new ATOM 0 HD22 LEU A 95 5.468 8.978 20.225 1.00 74.33 H new ATOM 0 HD23 LEU A 95 5.780 10.329 19.110 1.00 74.33 H new ATOM 1544 N ALA A 96 1.607 7.556 17.531 1.00 71.11 N ATOM 1545 CA ALA A 96 0.464 7.189 16.696 1.00 24.42 C ATOM 1546 C ALA A 96 0.616 5.775 16.113 1.00 72.54 C ATOM 1547 O ALA A 96 1.380 5.557 15.167 1.00 23.22 O ATOM 1548 CB ALA A 96 0.301 8.211 15.577 1.00 5.02 C ATOM 0 H ALA A 96 2.514 7.351 17.112 1.00 71.11 H new ATOM 0 HA ALA A 96 -0.428 7.187 17.322 1.00 24.42 H new ATOM 0 HB1 ALA A 96 -0.551 7.937 14.955 1.00 5.02 H new ATOM 0 HB2 ALA A 96 0.133 9.198 16.007 1.00 5.02 H new ATOM 0 HB3 ALA A 96 1.204 8.230 14.967 1.00 5.02 H new ATOM 1554 N SER A 97 -0.100 4.810 16.684 1.00 50.13 N ATOM 1555 CA SER A 97 -0.114 3.444 16.141 1.00 1.21 C ATOM 1556 C SER A 97 -1.016 3.377 14.907 1.00 53.11 C ATOM 1557 O SER A 97 -2.235 3.221 15.019 1.00 44.45 O ATOM 1558 CB SER A 97 -0.583 2.428 17.193 1.00 35.23 C ATOM 1559 OG SER A 97 0.303 2.393 18.302 1.00 64.03 O ATOM 0 H SER A 97 -0.675 4.941 17.516 1.00 50.13 H new ATOM 0 HA SER A 97 0.906 3.186 15.856 1.00 1.21 H new ATOM 0 HB2 SER A 97 -1.585 2.688 17.533 1.00 35.23 H new ATOM 0 HB3 SER A 97 -0.646 1.437 16.743 1.00 35.23 H new ATOM 0 HG SER A 97 -0.019 1.740 18.958 1.00 64.03 H new ATOM 1565 N LEU A 98 -0.410 3.531 13.732 1.00 32.33 N ATOM 1566 CA LEU A 98 -1.156 3.590 12.474 1.00 55.41 C ATOM 1567 C LEU A 98 -1.789 2.229 12.131 1.00 63.34 C ATOM 1568 O LEU A 98 -1.190 1.177 12.353 1.00 65.00 O ATOM 1569 CB LEU A 98 -0.234 4.064 11.340 1.00 23.20 C ATOM 1570 CG LEU A 98 -0.947 4.511 10.055 1.00 40.15 C ATOM 1571 CD1 LEU A 98 -1.899 5.663 10.355 1.00 63.22 C ATOM 1572 CD2 LEU A 98 0.067 4.918 8.987 1.00 3.22 C ATOM 0 H LEU A 98 0.600 3.618 13.623 1.00 32.33 H new ATOM 0 HA LEU A 98 -1.969 4.306 12.592 1.00 55.41 H new ATOM 0 HB2 LEU A 98 0.369 4.894 11.708 1.00 23.20 H new ATOM 0 HB3 LEU A 98 0.453 3.255 11.092 1.00 23.20 H new ATOM 0 HG LEU A 98 -1.525 3.671 9.671 1.00 40.15 H new ATOM 0 HD11 LEU A 98 -2.398 5.971 9.436 1.00 63.22 H new ATOM 0 HD12 LEU A 98 -2.644 5.340 11.082 1.00 63.22 H new ATOM 0 HD13 LEU A 98 -1.336 6.503 10.761 1.00 63.22 H new ATOM 0 HD21 LEU A 98 -0.460 5.231 8.086 1.00 3.22 H new ATOM 0 HD22 LEU A 98 0.674 5.744 9.358 1.00 3.22 H new ATOM 0 HD23 LEU A 98 0.711 4.070 8.755 1.00 3.22 H new ATOM 1584 N GLN A 99 -3.005 2.262 11.592 1.00 71.52 N ATOM 1585 CA GLN A 99 -3.768 1.037 11.335 1.00 24.13 C ATOM 1586 C GLN A 99 -3.413 0.381 9.994 1.00 33.13 C ATOM 1587 O GLN A 99 -2.815 1.000 9.111 1.00 63.40 O ATOM 1588 CB GLN A 99 -5.272 1.319 11.407 1.00 12.54 C ATOM 1589 CG GLN A 99 -5.764 1.633 12.815 1.00 5.31 C ATOM 1590 CD GLN A 99 -5.373 0.556 13.812 1.00 21.32 C ATOM 1591 OE1 GLN A 99 -4.340 0.637 14.465 1.00 32.03 O ATOM 1592 NE2 GLN A 99 -6.178 -0.478 13.913 1.00 60.54 N ATOM 0 H GLN A 99 -3.485 3.121 11.324 1.00 71.52 H new ATOM 0 HA GLN A 99 -3.493 0.328 12.115 1.00 24.13 H new ATOM 0 HB2 GLN A 99 -5.508 2.158 10.752 1.00 12.54 H new ATOM 0 HB3 GLN A 99 -5.815 0.454 11.025 1.00 12.54 H new ATOM 0 HG2 GLN A 99 -5.353 2.590 13.137 1.00 5.31 H new ATOM 0 HG3 GLN A 99 -6.849 1.739 12.804 1.00 5.31 H new ATOM 0 HE21 GLN A 99 -7.031 -0.516 13.356 1.00 60.54 H new ATOM 0 HE22 GLN A 99 -5.949 -1.242 14.549 1.00 60.54 H new ATOM 1601 N GLU A 100 -3.813 -0.881 9.853 1.00 63.42 N ATOM 1602 CA GLU A 100 -3.453 -1.693 8.685 1.00 24.22 C ATOM 1603 C GLU A 100 -4.398 -1.459 7.497 1.00 74.34 C ATOM 1604 O GLU A 100 -5.513 -0.955 7.648 1.00 51.30 O ATOM 1605 CB GLU A 100 -3.441 -3.192 9.048 1.00 64.01 C ATOM 1606 CG GLU A 100 -4.813 -3.791 9.375 1.00 12.05 C ATOM 1607 CD GLU A 100 -5.378 -3.332 10.715 1.00 44.03 C ATOM 1608 OE1 GLU A 100 -5.000 -3.910 11.754 1.00 33.24 O ATOM 1609 OE2 GLU A 100 -6.204 -2.397 10.735 1.00 10.50 O ATOM 0 H GLU A 100 -4.391 -1.369 10.537 1.00 63.42 H new ATOM 0 HA GLU A 100 -2.453 -1.381 8.383 1.00 24.22 H new ATOM 0 HB2 GLU A 100 -3.007 -3.748 8.217 1.00 64.01 H new ATOM 0 HB3 GLU A 100 -2.784 -3.337 9.906 1.00 64.01 H new ATOM 0 HG2 GLU A 100 -5.514 -3.524 8.584 1.00 12.05 H new ATOM 0 HG3 GLU A 100 -4.734 -4.878 9.377 1.00 12.05 H new ATOM 1616 N ILE A 101 -3.926 -1.836 6.313 1.00 32.24 N ATOM 1617 CA ILE A 101 -4.718 -1.766 5.084 1.00 41.35 C ATOM 1618 C ILE A 101 -4.835 -3.160 4.450 1.00 41.41 C ATOM 1619 O ILE A 101 -3.831 -3.846 4.264 1.00 2.31 O ATOM 1620 CB ILE A 101 -4.069 -0.795 4.065 1.00 41.23 C ATOM 1621 CG1 ILE A 101 -3.906 0.602 4.690 1.00 63.51 C ATOM 1622 CG2 ILE A 101 -4.896 -0.724 2.780 1.00 11.33 C ATOM 1623 CD1 ILE A 101 -3.178 1.590 3.807 1.00 12.44 C ATOM 0 H ILE A 101 -2.983 -2.199 6.176 1.00 32.24 H new ATOM 0 HA ILE A 101 -5.710 -1.397 5.343 1.00 41.35 H new ATOM 0 HB ILE A 101 -3.081 -1.174 3.806 1.00 41.23 H new ATOM 0 HG12 ILE A 101 -4.893 1.000 4.927 1.00 63.51 H new ATOM 0 HG13 ILE A 101 -3.367 0.506 5.632 1.00 63.51 H new ATOM 0 HG21 ILE A 101 -4.422 -0.037 2.080 1.00 11.33 H new ATOM 0 HG22 ILE A 101 -4.956 -1.715 2.331 1.00 11.33 H new ATOM 0 HG23 ILE A 101 -5.900 -0.369 3.013 1.00 11.33 H new ATOM 0 HD11 ILE A 101 -3.104 2.550 4.319 1.00 12.44 H new ATOM 0 HD12 ILE A 101 -2.177 1.216 3.591 1.00 12.44 H new ATOM 0 HD13 ILE A 101 -3.727 1.718 2.874 1.00 12.44 H new ATOM 1635 N ARG A 102 -6.055 -3.581 4.120 1.00 64.24 N ATOM 1636 CA ARG A 102 -6.282 -4.913 3.537 1.00 65.23 C ATOM 1637 C ARG A 102 -7.159 -4.839 2.274 1.00 11.04 C ATOM 1638 O ARG A 102 -8.366 -4.604 2.346 1.00 34.41 O ATOM 1639 CB ARG A 102 -6.912 -5.850 4.585 1.00 13.43 C ATOM 1640 CG ARG A 102 -8.160 -5.284 5.259 1.00 14.32 C ATOM 1641 CD ARG A 102 -8.727 -6.242 6.302 1.00 74.02 C ATOM 1642 NE ARG A 102 -9.914 -5.696 6.953 1.00 53.21 N ATOM 1643 CZ ARG A 102 -10.553 -6.277 7.935 1.00 72.11 C ATOM 1644 NH1 ARG A 102 -10.155 -7.418 8.407 1.00 51.23 N ATOM 1645 NH2 ARG A 102 -11.599 -5.708 8.443 1.00 4.35 N ATOM 0 H ARG A 102 -6.902 -3.026 4.244 1.00 64.24 H new ATOM 0 HA ARG A 102 -5.315 -5.317 3.237 1.00 65.23 H new ATOM 0 HB2 ARG A 102 -7.168 -6.794 4.105 1.00 13.43 H new ATOM 0 HB3 ARG A 102 -6.169 -6.073 5.350 1.00 13.43 H new ATOM 0 HG2 ARG A 102 -7.917 -4.333 5.733 1.00 14.32 H new ATOM 0 HG3 ARG A 102 -8.919 -5.079 4.504 1.00 14.32 H new ATOM 0 HD2 ARG A 102 -8.977 -7.190 5.826 1.00 74.02 H new ATOM 0 HD3 ARG A 102 -7.966 -6.453 7.053 1.00 74.02 H new ATOM 0 HE ARG A 102 -10.269 -4.800 6.619 1.00 53.21 H new ATOM 0 HH11 ARG A 102 -9.333 -7.875 8.012 1.00 51.23 H new ATOM 0 HH12 ARG A 102 -10.664 -7.858 9.173 1.00 51.23 H new ATOM 0 HH21 ARG A 102 -11.920 -4.812 8.077 1.00 4.35 H new ATOM 0 HH22 ARG A 102 -12.102 -6.156 9.209 1.00 4.35 H new ATOM 1659 N LEU A 103 -6.539 -5.037 1.112 1.00 75.11 N ATOM 1660 CA LEU A 103 -7.251 -4.981 -0.170 1.00 31.43 C ATOM 1661 C LEU A 103 -7.409 -6.378 -0.792 1.00 32.10 C ATOM 1662 O LEU A 103 -6.421 -7.057 -1.069 1.00 23.31 O ATOM 1663 CB LEU A 103 -6.507 -4.054 -1.143 1.00 1.24 C ATOM 1664 CG LEU A 103 -6.448 -2.576 -0.720 1.00 64.44 C ATOM 1665 CD1 LEU A 103 -5.587 -1.770 -1.686 1.00 64.24 C ATOM 1666 CD2 LEU A 103 -7.857 -1.984 -0.628 1.00 54.34 C ATOM 0 H LEU A 103 -5.543 -5.238 1.029 1.00 75.11 H new ATOM 0 HA LEU A 103 -8.249 -4.586 0.019 1.00 31.43 H new ATOM 0 HB2 LEU A 103 -5.488 -4.422 -1.264 1.00 1.24 H new ATOM 0 HB3 LEU A 103 -6.987 -4.117 -2.120 1.00 1.24 H new ATOM 0 HG LEU A 103 -5.990 -2.523 0.268 1.00 64.44 H new ATOM 0 HD11 LEU A 103 -5.560 -0.728 -1.367 1.00 64.24 H new ATOM 0 HD12 LEU A 103 -4.574 -2.173 -1.694 1.00 64.24 H new ATOM 0 HD13 LEU A 103 -6.010 -1.831 -2.689 1.00 64.24 H new ATOM 0 HD21 LEU A 103 -7.793 -0.938 -0.327 1.00 54.34 H new ATOM 0 HD22 LEU A 103 -8.345 -2.053 -1.600 1.00 54.34 H new ATOM 0 HD23 LEU A 103 -8.437 -2.539 0.109 1.00 54.34 H new ATOM 1678 N THR A 104 -8.655 -6.805 -0.996 1.00 35.51 N ATOM 1679 CA THR A 104 -8.943 -8.097 -1.645 1.00 44.23 C ATOM 1680 C THR A 104 -9.612 -7.901 -3.011 1.00 63.23 C ATOM 1681 O THR A 104 -10.685 -7.299 -3.116 1.00 63.42 O ATOM 1682 CB THR A 104 -9.848 -8.997 -0.766 1.00 40.10 C ATOM 1683 OG1 THR A 104 -11.039 -8.291 -0.384 1.00 12.54 O ATOM 1684 CG2 THR A 104 -9.108 -9.470 0.482 1.00 61.53 C ATOM 0 H THR A 104 -9.486 -6.279 -0.723 1.00 35.51 H new ATOM 0 HA THR A 104 -7.981 -8.591 -1.781 1.00 44.23 H new ATOM 0 HB THR A 104 -10.123 -9.870 -1.358 1.00 40.10 H new ATOM 0 HG1 THR A 104 -11.265 -7.634 -1.075 1.00 12.54 H new ATOM 0 HG21 THR A 104 -9.768 -10.099 1.079 1.00 61.53 H new ATOM 0 HG22 THR A 104 -8.228 -10.042 0.188 1.00 61.53 H new ATOM 0 HG23 THR A 104 -8.799 -8.606 1.071 1.00 61.53 H new ATOM 1692 N ARG A 105 -8.968 -8.406 -4.063 1.00 52.41 N ATOM 1693 CA ARG A 105 -9.488 -8.305 -5.434 1.00 73.52 C ATOM 1694 C ARG A 105 -9.843 -9.694 -5.985 1.00 43.11 C ATOM 1695 O ARG A 105 -9.043 -10.622 -5.903 1.00 4.13 O ATOM 1696 CB ARG A 105 -8.447 -7.638 -6.342 1.00 72.04 C ATOM 1697 CG ARG A 105 -7.982 -6.256 -5.877 1.00 34.31 C ATOM 1698 CD ARG A 105 -9.053 -5.177 -6.051 1.00 42.24 C ATOM 1699 NE ARG A 105 -10.151 -5.301 -5.095 1.00 32.33 N ATOM 1700 CZ ARG A 105 -11.036 -4.367 -4.876 1.00 14.24 C ATOM 1701 NH1 ARG A 105 -11.017 -3.269 -5.562 1.00 24.03 N ATOM 1702 NH2 ARG A 105 -11.956 -4.543 -3.985 1.00 72.14 N ATOM 0 H ARG A 105 -8.075 -8.895 -3.994 1.00 52.41 H new ATOM 0 HA ARG A 105 -10.393 -7.697 -5.414 1.00 73.52 H new ATOM 0 HB2 ARG A 105 -7.578 -8.292 -6.417 1.00 72.04 H new ATOM 0 HB3 ARG A 105 -8.865 -7.547 -7.345 1.00 72.04 H new ATOM 0 HG2 ARG A 105 -7.695 -6.309 -4.827 1.00 34.31 H new ATOM 0 HG3 ARG A 105 -7.092 -5.970 -6.437 1.00 34.31 H new ATOM 0 HD2 ARG A 105 -8.593 -4.195 -5.941 1.00 42.24 H new ATOM 0 HD3 ARG A 105 -9.453 -5.230 -7.064 1.00 42.24 H new ATOM 0 HE ARG A 105 -10.231 -6.170 -4.567 1.00 32.33 H new ATOM 0 HH11 ARG A 105 -10.307 -3.129 -6.280 1.00 24.03 H new ATOM 0 HH12 ARG A 105 -11.713 -2.544 -5.384 1.00 24.03 H new ATOM 0 HH21 ARG A 105 -11.991 -5.412 -3.453 1.00 72.14 H new ATOM 0 HH22 ARG A 105 -12.647 -3.813 -3.814 1.00 72.14 H new ATOM 1716 N ILE A 106 -11.036 -9.836 -6.552 1.00 45.42 N ATOM 1717 CA ILE A 106 -11.492 -11.138 -7.053 1.00 44.24 C ATOM 1718 C ILE A 106 -11.337 -11.259 -8.580 1.00 33.03 C ATOM 1719 O ILE A 106 -11.947 -10.506 -9.342 1.00 52.21 O ATOM 1720 CB ILE A 106 -12.969 -11.397 -6.665 1.00 62.41 C ATOM 1721 CG1 ILE A 106 -13.148 -11.288 -5.138 1.00 41.22 C ATOM 1722 CG2 ILE A 106 -13.430 -12.766 -7.173 1.00 63.45 C ATOM 1723 CD1 ILE A 106 -12.251 -12.216 -4.340 1.00 31.20 C ATOM 0 H ILE A 106 -11.704 -9.075 -6.678 1.00 45.42 H new ATOM 0 HA ILE A 106 -10.857 -11.889 -6.584 1.00 44.24 H new ATOM 0 HB ILE A 106 -13.590 -10.637 -7.138 1.00 62.41 H new ATOM 0 HG12 ILE A 106 -12.952 -10.260 -4.833 1.00 41.22 H new ATOM 0 HG13 ILE A 106 -14.187 -11.502 -4.889 1.00 41.22 H new ATOM 0 HG21 ILE A 106 -14.470 -12.928 -6.890 1.00 63.45 H new ATOM 0 HG22 ILE A 106 -13.340 -12.800 -8.259 1.00 63.45 H new ATOM 0 HG23 ILE A 106 -12.808 -13.546 -6.733 1.00 63.45 H new ATOM 0 HD11 ILE A 106 -12.439 -12.077 -3.275 1.00 31.20 H new ATOM 0 HD12 ILE A 106 -12.461 -13.250 -4.614 1.00 31.20 H new ATOM 0 HD13 ILE A 106 -11.207 -11.989 -4.557 1.00 31.20 H new ATOM 1735 N LEU A 107 -10.511 -12.208 -9.015 1.00 12.33 N ATOM 1736 CA LEU A 107 -10.316 -12.491 -10.442 1.00 45.14 C ATOM 1737 C LEU A 107 -11.130 -13.744 -10.844 1.00 51.52 C ATOM 1738 O LEU A 107 -10.782 -14.864 -10.464 1.00 40.44 O ATOM 1739 CB LEU A 107 -8.812 -12.710 -10.726 1.00 75.42 C ATOM 1740 CG LEU A 107 -8.315 -12.363 -12.149 1.00 74.51 C ATOM 1741 CD1 LEU A 107 -9.029 -13.190 -13.219 1.00 42.02 C ATOM 1742 CD2 LEU A 107 -8.477 -10.869 -12.422 1.00 13.13 C ATOM 0 H LEU A 107 -9.959 -12.801 -8.395 1.00 12.33 H new ATOM 0 HA LEU A 107 -10.666 -11.644 -11.032 1.00 45.14 H new ATOM 0 HB2 LEU A 107 -8.241 -12.116 -10.012 1.00 75.42 H new ATOM 0 HB3 LEU A 107 -8.578 -13.756 -10.530 1.00 75.42 H new ATOM 0 HG LEU A 107 -7.256 -12.615 -12.198 1.00 74.51 H new ATOM 0 HD11 LEU A 107 -8.651 -12.915 -14.204 1.00 42.02 H new ATOM 0 HD12 LEU A 107 -8.846 -14.250 -13.042 1.00 42.02 H new ATOM 0 HD13 LEU A 107 -10.101 -12.995 -13.175 1.00 42.02 H new ATOM 0 HD21 LEU A 107 -8.122 -10.642 -13.427 1.00 13.13 H new ATOM 0 HD22 LEU A 107 -9.529 -10.596 -12.338 1.00 13.13 H new ATOM 0 HD23 LEU A 107 -7.895 -10.301 -11.696 1.00 13.13 H new ATOM 1754 N PRO A 108 -12.234 -13.577 -11.602 1.00 53.54 N ATOM 1755 CA PRO A 108 -13.098 -14.705 -12.012 1.00 75.42 C ATOM 1756 C PRO A 108 -12.378 -15.746 -12.899 1.00 41.41 C ATOM 1757 O PRO A 108 -11.305 -15.486 -13.447 1.00 2.55 O ATOM 1758 CB PRO A 108 -14.238 -14.019 -12.790 1.00 12.24 C ATOM 1759 CG PRO A 108 -13.682 -12.697 -13.206 1.00 2.21 C ATOM 1760 CD PRO A 108 -12.731 -12.287 -12.114 1.00 2.44 C ATOM 0 HA PRO A 108 -13.432 -15.281 -11.149 1.00 75.42 H new ATOM 0 HB2 PRO A 108 -14.537 -14.611 -13.655 1.00 12.24 H new ATOM 0 HB3 PRO A 108 -15.123 -13.896 -12.166 1.00 12.24 H new ATOM 0 HG2 PRO A 108 -13.167 -12.774 -14.164 1.00 2.21 H new ATOM 0 HG3 PRO A 108 -14.476 -11.961 -13.329 1.00 2.21 H new ATOM 0 HD2 PRO A 108 -11.921 -11.666 -12.497 1.00 2.44 H new ATOM 0 HD3 PRO A 108 -13.234 -11.711 -11.337 1.00 2.44 H new ATOM 1768 N PHE A 109 -12.985 -16.929 -13.033 1.00 35.40 N ATOM 1769 CA PHE A 109 -12.413 -18.020 -13.833 1.00 0.05 C ATOM 1770 C PHE A 109 -12.368 -17.678 -15.334 1.00 52.25 C ATOM 1771 O PHE A 109 -13.331 -17.907 -16.071 1.00 31.22 O ATOM 1772 CB PHE A 109 -13.209 -19.318 -13.613 1.00 61.34 C ATOM 1773 CG PHE A 109 -12.664 -20.510 -14.363 1.00 14.52 C ATOM 1774 CD1 PHE A 109 -11.475 -21.107 -13.972 1.00 12.21 C ATOM 1775 CD2 PHE A 109 -13.344 -21.034 -15.454 1.00 32.32 C ATOM 1776 CE1 PHE A 109 -10.974 -22.198 -14.654 1.00 72.25 C ATOM 1777 CE2 PHE A 109 -12.848 -22.126 -16.140 1.00 41.34 C ATOM 1778 CZ PHE A 109 -11.661 -22.708 -15.741 1.00 60.44 C ATOM 0 H PHE A 109 -13.878 -17.158 -12.596 1.00 35.40 H new ATOM 0 HA PHE A 109 -11.386 -18.162 -13.497 1.00 0.05 H new ATOM 0 HB2 PHE A 109 -13.222 -19.548 -12.548 1.00 61.34 H new ATOM 0 HB3 PHE A 109 -14.243 -19.153 -13.916 1.00 61.34 H new ATOM 0 HD1 PHE A 109 -10.934 -20.714 -13.124 1.00 12.21 H new ATOM 0 HD2 PHE A 109 -14.273 -20.582 -15.771 1.00 32.32 H new ATOM 0 HE1 PHE A 109 -10.046 -22.653 -14.339 1.00 72.25 H new ATOM 0 HE2 PHE A 109 -13.388 -22.524 -16.987 1.00 41.34 H new ATOM 0 HZ PHE A 109 -11.270 -23.560 -16.277 1.00 60.44 H new ATOM 1788 N LEU A 110 -11.257 -17.089 -15.766 1.00 15.34 N ATOM 1789 CA LEU A 110 -10.991 -16.864 -17.193 1.00 54.40 C ATOM 1790 C LEU A 110 -9.973 -17.893 -17.710 1.00 51.34 C ATOM 1791 O LEU A 110 -8.768 -17.744 -17.509 1.00 23.42 O ATOM 1792 CB LEU A 110 -10.475 -15.433 -17.437 1.00 61.54 C ATOM 1793 CG LEU A 110 -11.549 -14.328 -17.475 1.00 61.31 C ATOM 1794 CD1 LEU A 110 -12.357 -14.279 -16.183 1.00 10.53 C ATOM 1795 CD2 LEU A 110 -10.911 -12.971 -17.757 1.00 72.21 C ATOM 0 H LEU A 110 -10.518 -16.755 -15.147 1.00 15.34 H new ATOM 0 HA LEU A 110 -11.926 -16.986 -17.739 1.00 54.40 H new ATOM 0 HB2 LEU A 110 -9.757 -15.188 -16.655 1.00 61.54 H new ATOM 0 HB3 LEU A 110 -9.933 -15.419 -18.383 1.00 61.54 H new ATOM 0 HG LEU A 110 -12.238 -14.569 -18.284 1.00 61.31 H new ATOM 0 HD11 LEU A 110 -13.103 -13.487 -16.250 1.00 10.53 H new ATOM 0 HD12 LEU A 110 -12.856 -15.236 -16.030 1.00 10.53 H new ATOM 0 HD13 LEU A 110 -11.690 -14.079 -15.344 1.00 10.53 H new ATOM 0 HD21 LEU A 110 -11.684 -12.203 -17.780 1.00 72.21 H new ATOM 0 HD22 LEU A 110 -10.191 -12.737 -16.973 1.00 72.21 H new ATOM 0 HD23 LEU A 110 -10.401 -13.002 -18.720 1.00 72.21 H new ATOM 1807 N ASP A 111 -10.465 -18.943 -18.361 1.00 65.43 N ATOM 1808 CA ASP A 111 -9.609 -20.051 -18.805 1.00 21.31 C ATOM 1809 C ASP A 111 -8.741 -19.672 -20.023 1.00 24.04 C ATOM 1810 O ASP A 111 -7.572 -19.316 -19.876 1.00 74.55 O ATOM 1811 CB ASP A 111 -10.476 -21.278 -19.118 1.00 1.32 C ATOM 1812 CG ASP A 111 -9.654 -22.493 -19.520 1.00 1.34 C ATOM 1813 OD1 ASP A 111 -8.963 -23.064 -18.652 1.00 63.35 O ATOM 1814 OD2 ASP A 111 -9.691 -22.880 -20.710 1.00 12.55 O ATOM 0 H ASP A 111 -11.451 -19.055 -18.595 1.00 65.43 H new ATOM 0 HA ASP A 111 -8.921 -20.287 -17.993 1.00 21.31 H new ATOM 0 HB2 ASP A 111 -11.077 -21.525 -18.243 1.00 1.32 H new ATOM 0 HB3 ASP A 111 -11.169 -21.032 -19.922 1.00 1.32 H new ATOM 1819 N ALA A 112 -9.330 -19.725 -21.218 1.00 65.01 N ATOM 1820 CA ALA A 112 -8.582 -19.503 -22.467 1.00 65.14 C ATOM 1821 C ALA A 112 -8.505 -18.017 -22.866 1.00 42.41 C ATOM 1822 O ALA A 112 -8.328 -17.690 -24.042 1.00 1.51 O ATOM 1823 CB ALA A 112 -9.216 -20.317 -23.590 1.00 51.30 C ATOM 0 H ALA A 112 -10.322 -19.919 -21.353 1.00 65.01 H new ATOM 0 HA ALA A 112 -7.557 -19.832 -22.294 1.00 65.14 H new ATOM 0 HB1 ALA A 112 -8.663 -20.153 -24.515 1.00 51.30 H new ATOM 0 HB2 ALA A 112 -9.187 -21.376 -23.333 1.00 51.30 H new ATOM 0 HB3 ALA A 112 -10.251 -20.004 -23.726 1.00 51.30 H new ATOM 1829 N GLN A 113 -8.605 -17.122 -21.887 1.00 31.44 N ATOM 1830 CA GLN A 113 -8.535 -15.680 -22.156 1.00 44.33 C ATOM 1831 C GLN A 113 -7.091 -15.165 -22.028 1.00 1.23 C ATOM 1832 O GLN A 113 -6.678 -14.674 -20.975 1.00 10.31 O ATOM 1833 CB GLN A 113 -9.471 -14.911 -21.216 1.00 42.14 C ATOM 1834 CG GLN A 113 -10.925 -15.378 -21.266 1.00 41.35 C ATOM 1835 CD GLN A 113 -11.509 -15.376 -22.673 1.00 73.33 C ATOM 1836 OE1 GLN A 113 -11.113 -14.593 -23.531 1.00 43.14 O ATOM 1837 NE2 GLN A 113 -12.464 -16.250 -22.920 1.00 44.33 N ATOM 0 H GLN A 113 -8.734 -17.363 -20.904 1.00 31.44 H new ATOM 0 HA GLN A 113 -8.862 -15.510 -23.182 1.00 44.33 H new ATOM 0 HB2 GLN A 113 -9.104 -15.009 -20.194 1.00 42.14 H new ATOM 0 HB3 GLN A 113 -9.432 -13.851 -21.468 1.00 42.14 H new ATOM 0 HG2 GLN A 113 -10.991 -16.385 -20.854 1.00 41.35 H new ATOM 0 HG3 GLN A 113 -11.529 -14.733 -20.628 1.00 41.35 H new ATOM 0 HE21 GLN A 113 -12.773 -16.889 -22.187 1.00 44.33 H new ATOM 0 HE22 GLN A 113 -12.894 -16.288 -23.844 1.00 44.33 H new ATOM 1846 N GLU A 114 -6.331 -15.296 -23.113 1.00 73.14 N ATOM 1847 CA GLU A 114 -4.898 -14.969 -23.127 1.00 32.33 C ATOM 1848 C GLU A 114 -4.614 -13.489 -22.776 1.00 71.53 C ATOM 1849 O GLU A 114 -3.825 -13.203 -21.870 1.00 61.04 O ATOM 1850 CB GLU A 114 -4.278 -15.342 -24.493 1.00 71.45 C ATOM 1851 CG GLU A 114 -4.786 -14.540 -25.696 1.00 11.02 C ATOM 1852 CD GLU A 114 -6.274 -14.714 -25.972 1.00 2.12 C ATOM 1853 OE1 GLU A 114 -6.647 -15.639 -26.720 1.00 43.33 O ATOM 1854 OE2 GLU A 114 -7.077 -13.919 -25.442 1.00 4.43 O ATOM 0 H GLU A 114 -6.686 -15.631 -24.009 1.00 73.14 H new ATOM 0 HA GLU A 114 -4.427 -15.564 -22.345 1.00 32.33 H new ATOM 0 HB2 GLU A 114 -3.197 -15.217 -24.427 1.00 71.45 H new ATOM 0 HB3 GLU A 114 -4.466 -16.399 -24.680 1.00 71.45 H new ATOM 0 HG2 GLU A 114 -4.579 -13.483 -25.529 1.00 11.02 H new ATOM 0 HG3 GLU A 114 -4.225 -14.838 -26.582 1.00 11.02 H new ATOM 1861 N LEU A 115 -5.255 -12.553 -23.477 1.00 33.01 N ATOM 1862 CA LEU A 115 -5.043 -11.118 -23.222 1.00 2.44 C ATOM 1863 C LEU A 115 -5.635 -10.685 -21.876 1.00 61.32 C ATOM 1864 O LEU A 115 -5.049 -9.868 -21.165 1.00 71.43 O ATOM 1865 CB LEU A 115 -5.640 -10.264 -24.357 1.00 11.43 C ATOM 1866 CG LEU A 115 -4.676 -9.908 -25.501 1.00 60.11 C ATOM 1867 CD1 LEU A 115 -3.492 -9.098 -24.978 1.00 60.41 C ATOM 1868 CD2 LEU A 115 -4.193 -11.161 -26.225 1.00 31.13 C ATOM 0 H LEU A 115 -5.922 -12.755 -24.222 1.00 33.01 H new ATOM 0 HA LEU A 115 -3.966 -10.956 -23.185 1.00 2.44 H new ATOM 0 HB2 LEU A 115 -6.493 -10.797 -24.778 1.00 11.43 H new ATOM 0 HB3 LEU A 115 -6.023 -9.338 -23.928 1.00 11.43 H new ATOM 0 HG LEU A 115 -5.222 -9.295 -26.219 1.00 60.11 H new ATOM 0 HD11 LEU A 115 -2.823 -8.857 -25.804 1.00 60.41 H new ATOM 0 HD12 LEU A 115 -3.854 -8.176 -24.524 1.00 60.41 H new ATOM 0 HD13 LEU A 115 -2.952 -9.682 -24.232 1.00 60.41 H new ATOM 0 HD21 LEU A 115 -3.513 -10.878 -27.028 1.00 31.13 H new ATOM 0 HD22 LEU A 115 -3.672 -11.810 -25.521 1.00 31.13 H new ATOM 0 HD23 LEU A 115 -5.048 -11.692 -26.644 1.00 31.13 H new ATOM 1880 N ALA A 116 -6.793 -11.236 -21.530 1.00 15.41 N ATOM 1881 CA ALA A 116 -7.464 -10.897 -20.276 1.00 72.13 C ATOM 1882 C ALA A 116 -6.604 -11.257 -19.055 1.00 31.42 C ATOM 1883 O ALA A 116 -6.394 -10.429 -18.171 1.00 42.34 O ATOM 1884 CB ALA A 116 -8.818 -11.586 -20.203 1.00 11.12 C ATOM 0 H ALA A 116 -7.289 -11.921 -22.100 1.00 15.41 H new ATOM 0 HA ALA A 116 -7.615 -9.818 -20.259 1.00 72.13 H new ATOM 0 HB1 ALA A 116 -9.308 -11.326 -19.265 1.00 11.12 H new ATOM 0 HB2 ALA A 116 -9.437 -11.260 -21.039 1.00 11.12 H new ATOM 0 HB3 ALA A 116 -8.680 -12.666 -20.253 1.00 11.12 H new ATOM 1890 N LYS A 117 -6.087 -12.485 -19.019 1.00 21.24 N ATOM 1891 CA LYS A 117 -5.227 -12.926 -17.911 1.00 13.02 C ATOM 1892 C LYS A 117 -3.949 -12.074 -17.816 1.00 62.13 C ATOM 1893 O LYS A 117 -3.542 -11.665 -16.728 1.00 52.44 O ATOM 1894 CB LYS A 117 -4.862 -14.412 -18.069 1.00 34.24 C ATOM 1895 CG LYS A 117 -6.063 -15.358 -18.016 1.00 43.34 C ATOM 1896 CD LYS A 117 -6.796 -15.293 -16.674 1.00 61.34 C ATOM 1897 CE LYS A 117 -5.911 -15.745 -15.516 1.00 53.32 C ATOM 1898 NZ LYS A 117 -5.416 -17.137 -15.695 1.00 25.43 N ATOM 0 H LYS A 117 -6.245 -13.191 -19.738 1.00 21.24 H new ATOM 0 HA LYS A 117 -5.789 -12.795 -16.986 1.00 13.02 H new ATOM 0 HB2 LYS A 117 -4.346 -14.550 -19.019 1.00 34.24 H new ATOM 0 HB3 LYS A 117 -4.160 -14.689 -17.282 1.00 34.24 H new ATOM 0 HG2 LYS A 117 -6.756 -15.106 -18.819 1.00 43.34 H new ATOM 0 HG3 LYS A 117 -5.726 -16.379 -18.194 1.00 43.34 H new ATOM 0 HD2 LYS A 117 -7.134 -14.272 -16.495 1.00 61.34 H new ATOM 0 HD3 LYS A 117 -7.686 -15.921 -16.716 1.00 61.34 H new ATOM 0 HE2 LYS A 117 -5.061 -15.068 -15.425 1.00 53.32 H new ATOM 0 HE3 LYS A 117 -6.473 -15.678 -14.584 1.00 53.32 H new ATOM 0 HZ1 LYS A 117 -4.994 -17.473 -14.805 1.00 25.43 H new ATOM 0 HZ2 LYS A 117 -6.209 -17.756 -15.958 1.00 25.43 H new ATOM 0 HZ3 LYS A 117 -4.698 -17.156 -16.447 1.00 25.43 H new ATOM 1912 N ALA A 118 -3.323 -11.806 -18.962 1.00 15.44 N ATOM 1913 CA ALA A 118 -2.097 -10.998 -19.009 1.00 22.11 C ATOM 1914 C ALA A 118 -2.339 -9.560 -18.520 1.00 24.00 C ATOM 1915 O ALA A 118 -1.571 -9.025 -17.717 1.00 2.32 O ATOM 1916 CB ALA A 118 -1.535 -10.986 -20.426 1.00 74.14 C ATOM 0 H ALA A 118 -3.642 -12.136 -19.873 1.00 15.44 H new ATOM 0 HA ALA A 118 -1.372 -11.455 -18.335 1.00 22.11 H new ATOM 0 HB1 ALA A 118 -0.626 -10.385 -20.452 1.00 74.14 H new ATOM 0 HB2 ALA A 118 -1.304 -12.006 -20.735 1.00 74.14 H new ATOM 0 HB3 ALA A 118 -2.272 -10.559 -21.106 1.00 74.14 H new ATOM 1922 N ALA A 119 -3.419 -8.949 -18.998 1.00 64.44 N ATOM 1923 CA ALA A 119 -3.735 -7.555 -18.667 1.00 14.41 C ATOM 1924 C ALA A 119 -4.411 -7.418 -17.289 1.00 63.00 C ATOM 1925 O ALA A 119 -3.881 -6.760 -16.396 1.00 12.15 O ATOM 1926 CB ALA A 119 -4.621 -6.947 -19.753 1.00 61.41 C ATOM 0 H ALA A 119 -4.095 -9.395 -19.618 1.00 64.44 H new ATOM 0 HA ALA A 119 -2.792 -7.011 -18.617 1.00 14.41 H new ATOM 0 HB1 ALA A 119 -4.850 -5.912 -19.498 1.00 61.41 H new ATOM 0 HB2 ALA A 119 -4.098 -6.978 -20.709 1.00 61.41 H new ATOM 0 HB3 ALA A 119 -5.548 -7.516 -19.827 1.00 61.41 H new ATOM 1932 N GLU A 120 -5.575 -8.052 -17.120 1.00 32.11 N ATOM 1933 CA GLU A 120 -6.403 -7.852 -15.919 1.00 20.14 C ATOM 1934 C GLU A 120 -5.668 -8.193 -14.613 1.00 11.43 C ATOM 1935 O GLU A 120 -5.754 -7.432 -13.650 1.00 64.12 O ATOM 1936 CB GLU A 120 -7.721 -8.638 -16.023 1.00 31.44 C ATOM 1937 CG GLU A 120 -8.669 -8.080 -17.085 1.00 32.11 C ATOM 1938 CD GLU A 120 -10.029 -8.766 -17.104 1.00 3.43 C ATOM 1939 OE1 GLU A 120 -10.703 -8.782 -16.055 1.00 31.54 O ATOM 1940 OE2 GLU A 120 -10.437 -9.268 -18.175 1.00 62.32 O ATOM 0 H GLU A 120 -5.968 -8.707 -17.796 1.00 32.11 H new ATOM 0 HA GLU A 120 -6.628 -6.786 -15.878 1.00 20.14 H new ATOM 0 HB2 GLU A 120 -7.499 -9.680 -16.254 1.00 31.44 H new ATOM 0 HB3 GLU A 120 -8.222 -8.626 -15.055 1.00 31.44 H new ATOM 0 HG2 GLU A 120 -8.811 -7.014 -16.910 1.00 32.11 H new ATOM 0 HG3 GLU A 120 -8.205 -8.183 -18.066 1.00 32.11 H new ATOM 1947 N GLU A 121 -4.941 -9.311 -14.565 1.00 62.32 N ATOM 1948 CA GLU A 121 -4.170 -9.646 -13.358 1.00 64.00 C ATOM 1949 C GLU A 121 -3.213 -8.501 -12.984 1.00 31.41 C ATOM 1950 O GLU A 121 -3.158 -8.084 -11.827 1.00 75.22 O ATOM 1951 CB GLU A 121 -3.391 -10.962 -13.520 1.00 73.23 C ATOM 1952 CG GLU A 121 -4.266 -12.215 -13.458 1.00 4.41 C ATOM 1953 CD GLU A 121 -3.454 -13.497 -13.290 1.00 13.25 C ATOM 1954 OE1 GLU A 121 -3.135 -13.859 -12.135 1.00 31.44 O ATOM 1955 OE2 GLU A 121 -3.124 -14.145 -14.307 1.00 35.24 O ATOM 0 H GLU A 121 -4.867 -9.987 -15.325 1.00 62.32 H new ATOM 0 HA GLU A 121 -4.887 -9.784 -12.548 1.00 64.00 H new ATOM 0 HB2 GLU A 121 -2.865 -10.946 -14.475 1.00 73.23 H new ATOM 0 HB3 GLU A 121 -2.633 -11.022 -12.739 1.00 73.23 H new ATOM 0 HG2 GLU A 121 -4.966 -12.123 -12.628 1.00 4.41 H new ATOM 0 HG3 GLU A 121 -4.860 -12.283 -14.370 1.00 4.41 H new ATOM 1962 N GLU A 122 -2.483 -7.981 -13.971 1.00 22.42 N ATOM 1963 CA GLU A 122 -1.605 -6.821 -13.762 1.00 34.30 C ATOM 1964 C GLU A 122 -2.408 -5.602 -13.282 1.00 33.41 C ATOM 1965 O GLU A 122 -1.986 -4.881 -12.376 1.00 43.25 O ATOM 1966 CB GLU A 122 -0.858 -6.477 -15.061 1.00 23.32 C ATOM 1967 CG GLU A 122 0.012 -5.223 -14.971 1.00 2.33 C ATOM 1968 CD GLU A 122 1.134 -5.341 -13.946 1.00 65.53 C ATOM 1969 OE1 GLU A 122 2.035 -6.184 -14.144 1.00 13.34 O ATOM 1970 OE2 GLU A 122 1.131 -4.575 -12.956 1.00 62.44 O ATOM 0 H GLU A 122 -2.480 -8.342 -14.925 1.00 22.42 H new ATOM 0 HA GLU A 122 -0.880 -7.081 -12.991 1.00 34.30 H new ATOM 0 HB2 GLU A 122 -0.229 -7.322 -15.340 1.00 23.32 H new ATOM 0 HB3 GLU A 122 -1.586 -6.344 -15.861 1.00 23.32 H new ATOM 0 HG2 GLU A 122 0.444 -5.018 -15.950 1.00 2.33 H new ATOM 0 HG3 GLU A 122 -0.617 -4.370 -14.715 1.00 2.33 H new ATOM 1977 N MET A 123 -3.578 -5.389 -13.887 1.00 34.44 N ATOM 1978 CA MET A 123 -4.456 -4.274 -13.513 1.00 22.54 C ATOM 1979 C MET A 123 -4.793 -4.295 -12.013 1.00 30.45 C ATOM 1980 O MET A 123 -4.780 -3.255 -11.354 1.00 11.32 O ATOM 1981 CB MET A 123 -5.745 -4.305 -14.345 1.00 43.30 C ATOM 1982 CG MET A 123 -5.515 -4.070 -15.835 1.00 32.22 C ATOM 1983 SD MET A 123 -7.019 -4.239 -16.819 1.00 64.45 S ATOM 1984 CE MET A 123 -8.047 -2.964 -16.094 1.00 33.15 C ATOM 0 H MET A 123 -3.942 -5.974 -14.639 1.00 34.44 H new ATOM 0 HA MET A 123 -3.919 -3.349 -13.721 1.00 22.54 H new ATOM 0 HB2 MET A 123 -6.233 -5.270 -14.209 1.00 43.30 H new ATOM 0 HB3 MET A 123 -6.430 -3.546 -13.967 1.00 43.30 H new ATOM 0 HG2 MET A 123 -5.103 -3.071 -15.980 1.00 32.22 H new ATOM 0 HG3 MET A 123 -4.769 -4.778 -16.197 1.00 32.22 H new ATOM 0 HE1 MET A 123 -8.883 -2.748 -16.760 1.00 33.15 H new ATOM 0 HE2 MET A 123 -8.428 -3.307 -15.132 1.00 33.15 H new ATOM 0 HE3 MET A 123 -7.456 -2.059 -15.948 1.00 33.15 H new ATOM 1994 N LEU A 124 -5.079 -5.478 -11.473 1.00 42.41 N ATOM 1995 CA LEU A 124 -5.370 -5.615 -10.040 1.00 33.43 C ATOM 1996 C LEU A 124 -4.087 -5.591 -9.187 1.00 34.42 C ATOM 1997 O LEU A 124 -4.109 -5.130 -8.047 1.00 63.33 O ATOM 1998 CB LEU A 124 -6.181 -6.893 -9.757 1.00 3.31 C ATOM 1999 CG LEU A 124 -7.671 -6.843 -10.163 1.00 44.32 C ATOM 2000 CD1 LEU A 124 -8.357 -5.617 -9.563 1.00 14.04 C ATOM 2001 CD2 LEU A 124 -7.834 -6.858 -11.679 1.00 3.11 C ATOM 0 H LEU A 124 -5.116 -6.352 -11.998 1.00 42.41 H new ATOM 0 HA LEU A 124 -5.973 -4.753 -9.755 1.00 33.43 H new ATOM 0 HB2 LEU A 124 -5.708 -7.725 -10.280 1.00 3.31 H new ATOM 0 HB3 LEU A 124 -6.121 -7.111 -8.691 1.00 3.31 H new ATOM 0 HG LEU A 124 -8.151 -7.737 -9.765 1.00 44.32 H new ATOM 0 HD11 LEU A 124 -9.405 -5.603 -9.863 1.00 14.04 H new ATOM 0 HD12 LEU A 124 -8.291 -5.659 -8.476 1.00 14.04 H new ATOM 0 HD13 LEU A 124 -7.865 -4.713 -9.922 1.00 14.04 H new ATOM 0 HD21 LEU A 124 -8.894 -6.822 -11.931 1.00 3.11 H new ATOM 0 HD22 LEU A 124 -7.329 -5.992 -12.108 1.00 3.11 H new ATOM 0 HD23 LEU A 124 -7.396 -7.771 -12.083 1.00 3.11 H new ATOM 2013 N TYR A 125 -2.970 -6.080 -9.737 1.00 13.22 N ATOM 2014 CA TYR A 125 -1.678 -6.027 -9.027 1.00 34.04 C ATOM 2015 C TYR A 125 -1.275 -4.575 -8.737 1.00 15.32 C ATOM 2016 O TYR A 125 -1.044 -4.197 -7.584 1.00 70.21 O ATOM 2017 CB TYR A 125 -0.560 -6.709 -9.837 1.00 12.41 C ATOM 2018 CG TYR A 125 -0.753 -8.196 -10.070 1.00 15.12 C ATOM 2019 CD1 TYR A 125 -1.672 -8.937 -9.330 1.00 12.21 C ATOM 2020 CD2 TYR A 125 -0.014 -8.856 -11.044 1.00 61.33 C ATOM 2021 CE1 TYR A 125 -1.843 -10.290 -9.555 1.00 44.32 C ATOM 2022 CE2 TYR A 125 -0.181 -10.207 -11.274 1.00 34.14 C ATOM 2023 CZ TYR A 125 -1.096 -10.919 -10.530 1.00 64.33 C ATOM 2024 OH TYR A 125 -1.268 -12.263 -10.767 1.00 1.13 O ATOM 0 H TYR A 125 -2.929 -6.513 -10.660 1.00 13.22 H new ATOM 0 HA TYR A 125 -1.808 -6.564 -8.087 1.00 34.04 H new ATOM 0 HB2 TYR A 125 -0.478 -6.213 -10.804 1.00 12.41 H new ATOM 0 HB3 TYR A 125 0.387 -6.557 -9.319 1.00 12.41 H new ATOM 0 HD1 TYR A 125 -2.260 -8.446 -8.568 1.00 12.21 H new ATOM 0 HD2 TYR A 125 0.704 -8.303 -11.631 1.00 61.33 H new ATOM 0 HE1 TYR A 125 -2.557 -10.852 -8.971 1.00 44.32 H new ATOM 0 HE2 TYR A 125 0.403 -10.704 -12.034 1.00 34.14 H new ATOM 0 HH TYR A 125 -2.138 -12.411 -11.194 1.00 1.13 H new ATOM 2034 N LYS A 126 -1.195 -3.765 -9.793 1.00 4.01 N ATOM 2035 CA LYS A 126 -0.872 -2.341 -9.656 1.00 62.11 C ATOM 2036 C LYS A 126 -1.917 -1.618 -8.794 1.00 4.22 C ATOM 2037 O LYS A 126 -1.588 -0.714 -8.024 1.00 61.31 O ATOM 2038 CB LYS A 126 -0.795 -1.675 -11.040 1.00 15.12 C ATOM 2039 CG LYS A 126 -2.135 -1.626 -11.767 1.00 74.03 C ATOM 2040 CD LYS A 126 -2.035 -0.949 -13.128 1.00 0.44 C ATOM 2041 CE LYS A 126 -3.405 -0.795 -13.779 1.00 13.45 C ATOM 2042 NZ LYS A 126 -4.340 0.020 -12.949 1.00 3.43 N ATOM 0 H LYS A 126 -1.349 -4.069 -10.754 1.00 4.01 H new ATOM 0 HA LYS A 126 0.097 -2.265 -9.164 1.00 62.11 H new ATOM 0 HB2 LYS A 126 -0.416 -0.660 -10.925 1.00 15.12 H new ATOM 0 HB3 LYS A 126 -0.076 -2.216 -11.655 1.00 15.12 H new ATOM 0 HG2 LYS A 126 -2.512 -2.641 -11.896 1.00 74.03 H new ATOM 0 HG3 LYS A 126 -2.859 -1.093 -11.152 1.00 74.03 H new ATOM 0 HD2 LYS A 126 -1.573 0.032 -13.014 1.00 0.44 H new ATOM 0 HD3 LYS A 126 -1.385 -1.534 -13.779 1.00 0.44 H new ATOM 0 HE2 LYS A 126 -3.289 -0.327 -14.757 1.00 13.45 H new ATOM 0 HE3 LYS A 126 -3.838 -1.781 -13.947 1.00 13.45 H new ATOM 0 HZ1 LYS A 126 -5.128 0.353 -13.540 1.00 3.43 H new ATOM 0 HZ2 LYS A 126 -4.712 -0.562 -12.172 1.00 3.43 H new ATOM 0 HZ3 LYS A 126 -3.832 0.838 -12.556 1.00 3.43 H new ATOM 2056 N ASP A 127 -3.180 -2.030 -8.932 1.00 30.44 N ATOM 2057 CA ASP A 127 -4.287 -1.410 -8.204 1.00 40.43 C ATOM 2058 C ASP A 127 -4.125 -1.578 -6.687 1.00 33.02 C ATOM 2059 O ASP A 127 -4.168 -0.603 -5.945 1.00 2.34 O ATOM 2060 CB ASP A 127 -5.621 -2.006 -8.675 1.00 43.41 C ATOM 2061 CG ASP A 127 -6.816 -1.277 -8.092 1.00 15.05 C ATOM 2062 OD1 ASP A 127 -7.042 -0.109 -8.477 1.00 54.05 O ATOM 2063 OD2 ASP A 127 -7.536 -1.863 -7.259 1.00 20.35 O ATOM 0 H ASP A 127 -3.461 -2.795 -9.545 1.00 30.44 H new ATOM 0 HA ASP A 127 -4.279 -0.341 -8.417 1.00 40.43 H new ATOM 0 HB2 ASP A 127 -5.670 -1.966 -9.763 1.00 43.41 H new ATOM 0 HB3 ASP A 127 -5.666 -3.058 -8.392 1.00 43.41 H new ATOM 2068 N MET A 128 -3.915 -2.813 -6.235 1.00 34.43 N ATOM 2069 CA MET A 128 -3.736 -3.090 -4.803 1.00 21.15 C ATOM 2070 C MET A 128 -2.535 -2.322 -4.225 1.00 72.10 C ATOM 2071 O MET A 128 -2.612 -1.759 -3.132 1.00 22.30 O ATOM 2072 CB MET A 128 -3.553 -4.594 -4.565 1.00 10.31 C ATOM 2073 CG MET A 128 -4.760 -5.428 -4.964 1.00 41.35 C ATOM 2074 SD MET A 128 -4.546 -7.188 -4.621 1.00 20.24 S ATOM 2075 CE MET A 128 -3.119 -7.570 -5.634 1.00 24.14 C ATOM 0 H MET A 128 -3.864 -3.637 -6.833 1.00 34.43 H new ATOM 0 HA MET A 128 -4.636 -2.751 -4.290 1.00 21.15 H new ATOM 0 HB2 MET A 128 -2.684 -4.938 -5.125 1.00 10.31 H new ATOM 0 HB3 MET A 128 -3.339 -4.762 -3.510 1.00 10.31 H new ATOM 0 HG2 MET A 128 -5.638 -5.064 -4.431 1.00 41.35 H new ATOM 0 HG3 MET A 128 -4.953 -5.292 -6.028 1.00 41.35 H new ATOM 0 HE1 MET A 128 -2.985 -8.651 -5.681 1.00 24.14 H new ATOM 0 HE2 MET A 128 -3.272 -7.179 -6.640 1.00 24.14 H new ATOM 0 HE3 MET A 128 -2.231 -7.113 -5.198 1.00 24.14 H new ATOM 2085 N GLN A 129 -1.429 -2.301 -4.970 1.00 74.22 N ATOM 2086 CA GLN A 129 -0.209 -1.615 -4.528 1.00 3.23 C ATOM 2087 C GLN A 129 -0.437 -0.094 -4.411 1.00 75.15 C ATOM 2088 O GLN A 129 -0.176 0.507 -3.365 1.00 22.24 O ATOM 2089 CB GLN A 129 0.948 -1.927 -5.501 1.00 23.31 C ATOM 2090 CG GLN A 129 2.331 -1.485 -5.013 1.00 62.34 C ATOM 2091 CD GLN A 129 2.588 0.007 -5.168 1.00 32.23 C ATOM 2092 OE1 GLN A 129 2.092 0.648 -6.089 1.00 34.42 O ATOM 2093 NE2 GLN A 129 3.359 0.573 -4.268 1.00 3.13 N ATOM 0 H GLN A 129 -1.351 -2.750 -5.882 1.00 74.22 H new ATOM 0 HA GLN A 129 0.057 -1.982 -3.537 1.00 3.23 H new ATOM 0 HB2 GLN A 129 0.969 -3.001 -5.686 1.00 23.31 H new ATOM 0 HB3 GLN A 129 0.743 -1.443 -6.456 1.00 23.31 H new ATOM 0 HG2 GLN A 129 2.439 -1.756 -3.963 1.00 62.34 H new ATOM 0 HG3 GLN A 129 3.094 -2.035 -5.564 1.00 62.34 H new ATOM 0 HE21 GLN A 129 3.757 0.014 -3.513 1.00 3.13 H new ATOM 0 HE22 GLN A 129 3.560 1.572 -4.324 1.00 3.13 H new ATOM 2102 N LYS A 130 -0.934 0.520 -5.487 1.00 43.21 N ATOM 2103 CA LYS A 130 -1.168 1.969 -5.514 1.00 25.40 C ATOM 2104 C LYS A 130 -2.276 2.383 -4.534 1.00 21.14 C ATOM 2105 O LYS A 130 -2.101 3.304 -3.737 1.00 55.13 O ATOM 2106 CB LYS A 130 -1.531 2.432 -6.932 1.00 75.23 C ATOM 2107 CG LYS A 130 -1.797 3.933 -7.033 1.00 70.15 C ATOM 2108 CD LYS A 130 -2.200 4.355 -8.443 1.00 72.54 C ATOM 2109 CE LYS A 130 -1.112 4.039 -9.465 1.00 4.40 C ATOM 2110 NZ LYS A 130 -1.466 4.531 -10.825 1.00 55.41 N ATOM 0 H LYS A 130 -1.183 0.039 -6.351 1.00 43.21 H new ATOM 0 HA LYS A 130 -0.241 2.452 -5.204 1.00 25.40 H new ATOM 0 HB2 LYS A 130 -0.720 2.168 -7.611 1.00 75.23 H new ATOM 0 HB3 LYS A 130 -2.416 1.891 -7.267 1.00 75.23 H new ATOM 0 HG2 LYS A 130 -2.587 4.208 -6.334 1.00 70.15 H new ATOM 0 HG3 LYS A 130 -0.902 4.479 -6.734 1.00 70.15 H new ATOM 0 HD2 LYS A 130 -3.122 3.846 -8.725 1.00 72.54 H new ATOM 0 HD3 LYS A 130 -2.410 5.424 -8.456 1.00 72.54 H new ATOM 0 HE2 LYS A 130 -0.173 4.493 -9.148 1.00 4.40 H new ATOM 0 HE3 LYS A 130 -0.949 2.962 -9.500 1.00 4.40 H new ATOM 0 HZ1 LYS A 130 -0.701 4.296 -11.489 1.00 55.41 H new ATOM 0 HZ2 LYS A 130 -2.348 4.079 -11.139 1.00 55.41 H new ATOM 0 HZ3 LYS A 130 -1.597 5.562 -10.798 1.00 55.41 H new ATOM 2124 N ASP A 131 -3.414 1.698 -4.595 1.00 72.13 N ATOM 2125 CA ASP A 131 -4.555 2.009 -3.729 1.00 34.43 C ATOM 2126 C ASP A 131 -4.138 1.965 -2.247 1.00 2.14 C ATOM 2127 O ASP A 131 -4.543 2.811 -1.448 1.00 20.41 O ATOM 2128 CB ASP A 131 -5.695 1.017 -4.002 1.00 13.14 C ATOM 2129 CG ASP A 131 -7.052 1.538 -3.569 1.00 44.55 C ATOM 2130 OD1 ASP A 131 -7.356 1.503 -2.360 1.00 41.34 O ATOM 2131 OD2 ASP A 131 -7.828 1.989 -4.443 1.00 42.42 O ATOM 0 H ASP A 131 -3.574 0.921 -5.236 1.00 72.13 H new ATOM 0 HA ASP A 131 -4.904 3.018 -3.949 1.00 34.43 H new ATOM 0 HB2 ASP A 131 -5.723 0.789 -5.067 1.00 13.14 H new ATOM 0 HB3 ASP A 131 -5.488 0.082 -3.481 1.00 13.14 H new ATOM 2136 N ALA A 132 -3.309 0.981 -1.892 1.00 3.32 N ATOM 2137 CA ALA A 132 -2.786 0.855 -0.525 1.00 73.31 C ATOM 2138 C ALA A 132 -1.967 2.090 -0.106 1.00 60.31 C ATOM 2139 O ALA A 132 -2.247 2.711 0.922 1.00 11.00 O ATOM 2140 CB ALA A 132 -1.943 -0.409 -0.398 1.00 22.33 C ATOM 0 H ALA A 132 -2.983 0.257 -2.532 1.00 3.32 H new ATOM 0 HA ALA A 132 -3.640 0.786 0.149 1.00 73.31 H new ATOM 0 HB1 ALA A 132 -1.561 -0.491 0.620 1.00 22.33 H new ATOM 0 HB2 ALA A 132 -2.557 -1.280 -0.627 1.00 22.33 H new ATOM 0 HB3 ALA A 132 -1.107 -0.361 -1.096 1.00 22.33 H new ATOM 2146 N VAL A 133 -0.964 2.454 -0.909 1.00 51.32 N ATOM 2147 CA VAL A 133 -0.094 3.594 -0.581 1.00 61.01 C ATOM 2148 C VAL A 133 -0.875 4.927 -0.584 1.00 11.31 C ATOM 2149 O VAL A 133 -0.599 5.824 0.218 1.00 71.11 O ATOM 2150 CB VAL A 133 1.132 3.682 -1.534 1.00 54.34 C ATOM 2151 CG1 VAL A 133 0.716 4.029 -2.964 1.00 51.51 C ATOM 2152 CG2 VAL A 133 2.156 4.683 -1.004 1.00 3.12 C ATOM 0 H VAL A 133 -0.733 1.983 -1.784 1.00 51.32 H new ATOM 0 HA VAL A 133 0.278 3.420 0.429 1.00 61.01 H new ATOM 0 HB VAL A 133 1.597 2.697 -1.563 1.00 54.34 H new ATOM 0 HG11 VAL A 133 1.601 4.081 -3.598 1.00 51.51 H new ATOM 0 HG12 VAL A 133 0.042 3.261 -3.344 1.00 51.51 H new ATOM 0 HG13 VAL A 133 0.208 4.993 -2.971 1.00 51.51 H new ATOM 0 HG21 VAL A 133 3.006 4.729 -1.685 1.00 3.12 H new ATOM 0 HG22 VAL A 133 1.696 5.669 -0.929 1.00 3.12 H new ATOM 0 HG23 VAL A 133 2.498 4.367 -0.019 1.00 3.12 H new ATOM 2162 N GLN A 134 -1.867 5.041 -1.470 1.00 53.23 N ATOM 2163 CA GLN A 134 -2.758 6.211 -1.493 1.00 22.34 C ATOM 2164 C GLN A 134 -3.582 6.297 -0.195 1.00 34.34 C ATOM 2165 O GLN A 134 -3.886 7.390 0.294 1.00 44.11 O ATOM 2166 CB GLN A 134 -3.694 6.156 -2.714 1.00 11.21 C ATOM 2167 CG GLN A 134 -2.974 6.274 -4.058 1.00 63.34 C ATOM 2168 CD GLN A 134 -2.281 7.617 -4.256 1.00 71.30 C ATOM 2169 OE1 GLN A 134 -2.860 8.681 -3.728 1.00 34.42 O flip ATOM 2170 NE2 GLN A 134 -1.245 7.705 -4.905 1.00 14.34 N flip ATOM 0 H GLN A 134 -2.076 4.340 -2.181 1.00 53.23 H new ATOM 0 HA GLN A 134 -2.139 7.105 -1.568 1.00 22.34 H new ATOM 0 HB2 GLN A 134 -4.248 5.217 -2.692 1.00 11.21 H new ATOM 0 HB3 GLN A 134 -4.426 6.960 -2.634 1.00 11.21 H new ATOM 0 HG2 GLN A 134 -2.235 5.477 -4.137 1.00 63.34 H new ATOM 0 HG3 GLN A 134 -3.694 6.123 -4.862 1.00 63.34 H new ATOM 0 HE21 GLN A 134 -0.819 6.867 -5.302 1.00 14.34 H new ATOM 0 HE22 GLN A 134 -0.809 8.616 -5.048 1.00 14.34 H new ATOM 2179 N GLN A 135 -3.944 5.140 0.358 1.00 52.32 N ATOM 2180 CA GLN A 135 -4.634 5.086 1.650 1.00 24.14 C ATOM 2181 C GLN A 135 -3.685 5.451 2.805 1.00 73.22 C ATOM 2182 O GLN A 135 -4.087 6.131 3.746 1.00 14.22 O ATOM 2183 CB GLN A 135 -5.240 3.697 1.878 1.00 72.43 C ATOM 2184 CG GLN A 135 -6.382 3.359 0.925 1.00 71.00 C ATOM 2185 CD GLN A 135 -6.883 1.940 1.105 1.00 72.41 C ATOM 2186 OE1 GLN A 135 -6.319 1.014 0.364 1.00 62.31 O flip ATOM 2187 NE2 GLN A 135 -7.783 1.680 1.895 1.00 13.02 N flip ATOM 0 H GLN A 135 -3.772 4.228 -0.066 1.00 52.32 H new ATOM 0 HA GLN A 135 -5.439 5.821 1.629 1.00 24.14 H new ATOM 0 HB2 GLN A 135 -4.456 2.947 1.771 1.00 72.43 H new ATOM 0 HB3 GLN A 135 -5.604 3.634 2.903 1.00 72.43 H new ATOM 0 HG2 GLN A 135 -7.205 4.055 1.087 1.00 71.00 H new ATOM 0 HG3 GLN A 135 -6.046 3.495 -0.103 1.00 71.00 H new ATOM 0 HE21 GLN A 135 -8.200 2.423 2.456 1.00 13.02 H new ATOM 0 HE22 GLN A 135 -8.115 0.721 1.992 1.00 13.02 H new ATOM 2196 N ILE A 136 -2.423 5.005 2.726 1.00 42.32 N ATOM 2197 CA ILE A 136 -1.404 5.386 3.722 1.00 63.44 C ATOM 2198 C ILE A 136 -1.297 6.916 3.825 1.00 43.44 C ATOM 2199 O ILE A 136 -1.306 7.483 4.919 1.00 23.31 O ATOM 2200 CB ILE A 136 -0.003 4.803 3.382 1.00 32.23 C ATOM 2201 CG1 ILE A 136 -0.051 3.264 3.310 1.00 22.24 C ATOM 2202 CG2 ILE A 136 1.032 5.256 4.416 1.00 52.00 C ATOM 2203 CD1 ILE A 136 1.283 2.624 2.970 1.00 64.25 C ATOM 0 H ILE A 136 -2.083 4.385 1.991 1.00 42.32 H new ATOM 0 HA ILE A 136 -1.727 4.968 4.676 1.00 63.44 H new ATOM 0 HB ILE A 136 0.293 5.182 2.404 1.00 32.23 H new ATOM 0 HG12 ILE A 136 -0.396 2.875 4.268 1.00 22.24 H new ATOM 0 HG13 ILE A 136 -0.787 2.967 2.562 1.00 22.24 H new ATOM 0 HG21 ILE A 136 2.006 4.839 4.162 1.00 52.00 H new ATOM 0 HG22 ILE A 136 1.093 6.344 4.417 1.00 52.00 H new ATOM 0 HG23 ILE A 136 0.735 4.908 5.405 1.00 52.00 H new ATOM 0 HD11 ILE A 136 1.169 1.540 2.938 1.00 64.25 H new ATOM 0 HD12 ILE A 136 1.621 2.982 1.998 1.00 64.25 H new ATOM 0 HD13 ILE A 136 2.018 2.889 3.730 1.00 64.25 H new ATOM 2215 N LEU A 137 -1.207 7.576 2.669 1.00 72.53 N ATOM 2216 CA LEU A 137 -1.219 9.041 2.610 1.00 74.31 C ATOM 2217 C LEU A 137 -2.487 9.603 3.278 1.00 34.23 C ATOM 2218 O LEU A 137 -2.429 10.577 4.034 1.00 63.42 O ATOM 2219 CB LEU A 137 -1.150 9.515 1.150 1.00 50.41 C ATOM 2220 CG LEU A 137 -1.197 11.041 0.957 1.00 43.52 C ATOM 2221 CD1 LEU A 137 0.029 11.702 1.581 1.00 63.34 C ATOM 2222 CD2 LEU A 137 -1.320 11.400 -0.523 1.00 65.32 C ATOM 0 H LEU A 137 -1.125 7.120 1.760 1.00 72.53 H new ATOM 0 HA LEU A 137 -0.346 9.410 3.149 1.00 74.31 H new ATOM 0 HB2 LEU A 137 -0.230 9.136 0.704 1.00 50.41 H new ATOM 0 HB3 LEU A 137 -1.978 9.069 0.600 1.00 50.41 H new ATOM 0 HG LEU A 137 -2.082 11.421 1.467 1.00 43.52 H new ATOM 0 HD11 LEU A 137 -0.024 12.781 1.433 1.00 63.34 H new ATOM 0 HD12 LEU A 137 0.057 11.483 2.648 1.00 63.34 H new ATOM 0 HD13 LEU A 137 0.931 11.315 1.108 1.00 63.34 H new ATOM 0 HD21 LEU A 137 -1.351 12.484 -0.633 1.00 65.32 H new ATOM 0 HD22 LEU A 137 -0.461 11.005 -1.066 1.00 65.32 H new ATOM 0 HD23 LEU A 137 -2.235 10.968 -0.927 1.00 65.32 H new ATOM 2234 N ARG A 138 -3.625 8.970 2.994 1.00 71.31 N ATOM 2235 CA ARG A 138 -4.913 9.375 3.570 1.00 1.02 C ATOM 2236 C ARG A 138 -4.919 9.207 5.101 1.00 1.34 C ATOM 2237 O ARG A 138 -5.552 9.979 5.820 1.00 4.44 O ATOM 2238 CB ARG A 138 -6.044 8.552 2.931 1.00 40.11 C ATOM 2239 CG ARG A 138 -7.462 9.003 3.294 1.00 20.22 C ATOM 2240 CD ARG A 138 -7.799 10.387 2.724 1.00 51.31 C ATOM 2241 NE ARG A 138 -7.176 11.478 3.482 1.00 43.41 N ATOM 2242 CZ ARG A 138 -6.332 12.346 2.982 1.00 55.21 C ATOM 2243 NH1 ARG A 138 -5.974 12.281 1.738 1.00 3.12 N ATOM 2244 NH2 ARG A 138 -5.843 13.274 3.737 1.00 4.12 N ATOM 0 H ARG A 138 -3.684 8.169 2.365 1.00 71.31 H new ATOM 0 HA ARG A 138 -5.072 10.432 3.356 1.00 1.02 H new ATOM 0 HB2 ARG A 138 -5.933 8.592 1.847 1.00 40.11 H new ATOM 0 HB3 ARG A 138 -5.925 7.509 3.226 1.00 40.11 H new ATOM 0 HG2 ARG A 138 -8.180 8.274 2.918 1.00 20.22 H new ATOM 0 HG3 ARG A 138 -7.567 9.024 4.379 1.00 20.22 H new ATOM 0 HD2 ARG A 138 -7.471 10.438 1.686 1.00 51.31 H new ATOM 0 HD3 ARG A 138 -8.881 10.522 2.723 1.00 51.31 H new ATOM 0 HE ARG A 138 -7.417 11.567 4.469 1.00 43.41 H new ATOM 0 HH11 ARG A 138 -6.350 11.548 1.137 1.00 3.12 H new ATOM 0 HH12 ARG A 138 -5.316 12.963 1.360 1.00 3.12 H new ATOM 0 HH21 ARG A 138 -6.115 13.329 4.719 1.00 4.12 H new ATOM 0 HH22 ARG A 138 -5.185 13.952 3.351 1.00 4.12 H new ATOM 2258 N GLN A 139 -4.203 8.197 5.585 1.00 52.31 N ATOM 2259 CA GLN A 139 -4.058 7.957 7.024 1.00 20.25 C ATOM 2260 C GLN A 139 -3.165 9.023 7.683 1.00 32.02 C ATOM 2261 O GLN A 139 -3.589 9.718 8.605 1.00 1.21 O ATOM 2262 CB GLN A 139 -3.452 6.569 7.267 1.00 20.01 C ATOM 2263 CG GLN A 139 -4.333 5.400 6.829 1.00 71.31 C ATOM 2264 CD GLN A 139 -3.640 4.057 7.013 1.00 31.23 C ATOM 2265 OE1 GLN A 139 -2.425 3.954 6.906 1.00 53.24 O ATOM 2266 NE2 GLN A 139 -4.403 3.019 7.296 1.00 44.34 N ATOM 0 H GLN A 139 -3.709 7.524 4.999 1.00 52.31 H new ATOM 0 HA GLN A 139 -5.051 8.012 7.471 1.00 20.25 H new ATOM 0 HB2 GLN A 139 -2.500 6.506 6.739 1.00 20.01 H new ATOM 0 HB3 GLN A 139 -3.235 6.464 8.330 1.00 20.01 H new ATOM 0 HG2 GLN A 139 -5.259 5.410 7.403 1.00 71.31 H new ATOM 0 HG3 GLN A 139 -4.606 5.526 5.781 1.00 71.31 H new ATOM 0 HE21 GLN A 139 -5.413 3.136 7.379 1.00 44.34 H new ATOM 0 HE22 GLN A 139 -3.983 2.099 7.432 1.00 44.34 H new ATOM 2275 N VAL A 140 -1.929 9.142 7.190 1.00 52.11 N ATOM 2276 CA VAL A 140 -0.924 10.041 7.777 1.00 33.02 C ATOM 2277 C VAL A 140 -1.375 11.516 7.792 1.00 74.43 C ATOM 2278 O VAL A 140 -1.514 12.119 8.858 1.00 43.11 O ATOM 2279 CB VAL A 140 0.433 9.931 7.029 1.00 3.23 C ATOM 2280 CG1 VAL A 140 1.475 10.872 7.638 1.00 0.24 C ATOM 2281 CG2 VAL A 140 0.942 8.488 7.034 1.00 12.21 C ATOM 0 H VAL A 140 -1.596 8.623 6.378 1.00 52.11 H new ATOM 0 HA VAL A 140 -0.803 9.716 8.810 1.00 33.02 H new ATOM 0 HB VAL A 140 0.269 10.233 5.994 1.00 3.23 H new ATOM 0 HG11 VAL A 140 2.415 10.774 7.095 1.00 0.24 H new ATOM 0 HG12 VAL A 140 1.121 11.901 7.569 1.00 0.24 H new ATOM 0 HG13 VAL A 140 1.632 10.612 8.685 1.00 0.24 H new ATOM 0 HG21 VAL A 140 1.893 8.436 6.504 1.00 12.21 H new ATOM 0 HG22 VAL A 140 1.080 8.155 8.062 1.00 12.21 H new ATOM 0 HG23 VAL A 140 0.215 7.844 6.539 1.00 12.21 H new ATOM 2291 N SER A 141 -1.602 12.094 6.611 1.00 13.25 N ATOM 2292 CA SER A 141 -1.953 13.523 6.501 1.00 63.42 C ATOM 2293 C SER A 141 -3.226 13.859 7.289 1.00 61.02 C ATOM 2294 O SER A 141 -3.292 14.874 7.984 1.00 44.41 O ATOM 2295 CB SER A 141 -2.143 13.925 5.029 1.00 40.12 C ATOM 2296 OG SER A 141 -3.242 13.244 4.441 1.00 74.32 O ATOM 0 H SER A 141 -1.551 11.603 5.718 1.00 13.25 H new ATOM 0 HA SER A 141 -1.125 14.088 6.928 1.00 63.42 H new ATOM 0 HB2 SER A 141 -2.303 15.001 4.962 1.00 40.12 H new ATOM 0 HB3 SER A 141 -1.234 13.702 4.470 1.00 40.12 H new ATOM 0 HG SER A 141 -3.005 12.304 4.295 1.00 74.32 H new ATOM 2302 N ALA A 142 -4.230 12.991 7.197 1.00 32.31 N ATOM 2303 CA ALA A 142 -5.517 13.231 7.852 1.00 31.42 C ATOM 2304 C ALA A 142 -5.593 12.605 9.255 1.00 54.53 C ATOM 2305 O ALA A 142 -6.665 12.573 9.860 1.00 62.41 O ATOM 2306 CB ALA A 142 -6.648 12.711 6.978 1.00 50.14 C ATOM 0 H ALA A 142 -4.179 12.115 6.676 1.00 32.31 H new ATOM 0 HA ALA A 142 -5.619 14.308 7.982 1.00 31.42 H new ATOM 0 HB1 ALA A 142 -7.603 12.893 7.472 1.00 50.14 H new ATOM 0 HB2 ALA A 142 -6.632 13.226 6.018 1.00 50.14 H new ATOM 0 HB3 ALA A 142 -6.521 11.640 6.817 1.00 50.14 H new ATOM 2312 N PHE A 143 -4.463 12.126 9.784 1.00 13.12 N ATOM 2313 CA PHE A 143 -4.444 11.525 11.129 1.00 5.12 C ATOM 2314 C PHE A 143 -4.948 12.526 12.182 1.00 14.41 C ATOM 2315 O PHE A 143 -5.573 12.145 13.174 1.00 40.23 O ATOM 2316 CB PHE A 143 -3.031 11.035 11.498 1.00 4.11 C ATOM 2317 CG PHE A 143 -3.014 10.088 12.678 1.00 33.35 C ATOM 2318 CD1 PHE A 143 -3.026 10.567 13.983 1.00 72.22 C ATOM 2319 CD2 PHE A 143 -3.003 8.714 12.478 1.00 73.31 C ATOM 2320 CE1 PHE A 143 -3.031 9.695 15.056 1.00 23.52 C ATOM 2321 CE2 PHE A 143 -3.004 7.840 13.548 1.00 74.44 C ATOM 2322 CZ PHE A 143 -3.022 8.331 14.838 1.00 35.45 C ATOM 0 H PHE A 143 -3.559 12.140 9.312 1.00 13.12 H new ATOM 0 HA PHE A 143 -5.114 10.665 11.116 1.00 5.12 H new ATOM 0 HB2 PHE A 143 -2.590 10.536 10.635 1.00 4.11 H new ATOM 0 HB3 PHE A 143 -2.403 11.897 11.724 1.00 4.11 H new ATOM 0 HD1 PHE A 143 -3.031 11.632 14.161 1.00 72.22 H new ATOM 0 HD2 PHE A 143 -2.994 8.323 11.471 1.00 73.31 H new ATOM 0 HE1 PHE A 143 -3.042 10.080 16.065 1.00 23.52 H new ATOM 0 HE2 PHE A 143 -2.991 6.774 13.375 1.00 74.44 H new ATOM 0 HZ PHE A 143 -3.029 7.650 15.676 1.00 35.45 H new ATOM 2332 N THR A 144 -4.676 13.811 11.953 1.00 41.04 N ATOM 2333 CA THR A 144 -5.171 14.885 12.833 1.00 14.20 C ATOM 2334 C THR A 144 -6.707 14.908 12.889 1.00 64.20 C ATOM 2335 O THR A 144 -7.300 15.377 13.859 1.00 3.43 O ATOM 2336 CB THR A 144 -4.659 16.275 12.376 1.00 4.01 C ATOM 2337 OG1 THR A 144 -5.178 17.309 13.231 1.00 44.14 O ATOM 2338 CG2 THR A 144 -5.046 16.559 10.925 1.00 32.03 C ATOM 0 H THR A 144 -4.116 14.140 11.167 1.00 41.04 H new ATOM 0 HA THR A 144 -4.783 14.672 13.829 1.00 14.20 H new ATOM 0 HB THR A 144 -3.571 16.266 12.445 1.00 4.01 H new ATOM 0 HG1 THR A 144 -4.844 18.180 12.930 1.00 44.14 H new ATOM 0 HG21 THR A 144 -4.673 17.541 10.634 1.00 32.03 H new ATOM 0 HG22 THR A 144 -4.610 15.799 10.277 1.00 32.03 H new ATOM 0 HG23 THR A 144 -6.131 16.540 10.828 1.00 32.03 H new