USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1128 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 133:sc= 0.319 USER MOD Set 1.2: A 129 GLN : amide:sc= -0.27 K(o=0.049,f=-0.72) USER MOD Set 2.1: A 55 GLN : amide:sc= 0.433 K(o=-2.5,f=-6.7) USER MOD Set 2.2: A 92 ASN : amide:sc= -2.94! C(o=-2.5!,f=-6.7!) USER MOD Set 3.1: A 37 THR OG1 : rot -75:sc= 1.05 USER MOD Set 3.2: A 38 HIS :FLIP no HE2:sc= 0.584 F(o=-3.8!,f=1.6) USER MOD Single : A 10 SER OG : rot 16:sc= 0.957 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 29 SER OG : rot 37:sc= 0.489 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 53:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ -111:sc= 0.549 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.064) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -3.05! C(o=-3!,f=-5.9!) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0256) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.132 USER MOD Single : A 71 SER OG : rot -41:sc= 0.934 USER MOD Single : A 81 TYR OH : rot 165:sc= -0.0277 USER MOD Single : A 91 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.344 K(o=-0.34,f=-1.2) USER MOD Single : A 117 LYS NZ :NH3+ 150:sc= -3.76! (180deg=-4.98!) USER MOD Single : A 123 MET CE :methyl -131:sc= 0 (180deg=-0.815) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -135:sc= -1.07 (180deg=-1.32) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.0965 F(o=-2.9!,f=-0.097) USER MOD Single : A 135 GLN : amide:sc= 0.596 K(o=0.6,f=-5!) USER MOD Single : A 139 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.4!) USER MOD Single : A 141 SER OG : rot -73:sc= 1.09 USER MOD Single : A 144 THR OG1 : rot -19:sc= 0.25 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -6.096 19.780 -1.492 1.00 20.53 N ATOM 137 CA VAL A 9 -6.478 18.371 -1.639 1.00 4.22 C ATOM 138 C VAL A 9 -6.339 17.602 -0.307 1.00 54.44 C ATOM 139 O VAL A 9 -7.268 16.919 0.119 1.00 51.12 O ATOM 140 CB VAL A 9 -5.650 17.669 -2.754 1.00 13.32 C ATOM 141 CG1 VAL A 9 -4.147 17.808 -2.509 1.00 1.32 C ATOM 142 CG2 VAL A 9 -6.045 16.196 -2.879 1.00 53.22 C ATOM 0 HA VAL A 9 -7.528 18.358 -1.932 1.00 4.22 H new ATOM 0 HB VAL A 9 -5.878 18.167 -3.696 1.00 13.32 H new ATOM 0 HG11 VAL A 9 -3.600 17.306 -3.307 1.00 1.32 H new ATOM 0 HG12 VAL A 9 -3.877 18.864 -2.493 1.00 1.32 H new ATOM 0 HG13 VAL A 9 -3.891 17.353 -1.552 1.00 1.32 H new ATOM 0 HG21 VAL A 9 -5.453 15.726 -3.664 1.00 53.22 H new ATOM 0 HG22 VAL A 9 -5.860 15.688 -1.932 1.00 53.22 H new ATOM 0 HG23 VAL A 9 -7.103 16.123 -3.129 1.00 53.22 H new ATOM 152 N SER A 10 -5.180 17.732 0.344 1.00 74.32 N ATOM 153 CA SER A 10 -4.911 17.072 1.639 1.00 25.43 C ATOM 154 C SER A 10 -3.717 17.727 2.348 1.00 71.13 C ATOM 155 O SER A 10 -2.601 17.722 1.829 1.00 62.24 O ATOM 156 CB SER A 10 -4.625 15.568 1.454 1.00 14.04 C ATOM 157 OG SER A 10 -5.796 14.839 1.112 1.00 43.11 O ATOM 0 H SER A 10 -4.402 18.292 -0.003 1.00 74.32 H new ATOM 0 HA SER A 10 -5.805 17.189 2.251 1.00 25.43 H new ATOM 0 HB2 SER A 10 -3.875 15.435 0.674 1.00 14.04 H new ATOM 0 HB3 SER A 10 -4.203 15.164 2.374 1.00 14.04 H new ATOM 0 HG SER A 10 -6.494 15.461 0.817 1.00 43.11 H new ATOM 163 N GLU A 11 -3.948 18.288 3.535 1.00 72.13 N ATOM 164 CA GLU A 11 -2.878 18.942 4.299 1.00 73.20 C ATOM 165 C GLU A 11 -2.543 18.199 5.604 1.00 65.22 C ATOM 166 O GLU A 11 -3.273 17.313 6.052 1.00 12.21 O ATOM 167 CB GLU A 11 -3.247 20.402 4.619 1.00 20.54 C ATOM 168 CG GLU A 11 -3.485 21.272 3.383 1.00 42.33 C ATOM 169 CD GLU A 11 -4.954 21.373 2.984 1.00 72.43 C ATOM 170 OE1 GLU A 11 -5.546 20.349 2.585 1.00 75.22 O ATOM 171 OE2 GLU A 11 -5.518 22.486 3.071 1.00 72.13 O ATOM 0 H GLU A 11 -4.861 18.304 3.989 1.00 72.13 H new ATOM 0 HA GLU A 11 -1.991 18.918 3.666 1.00 73.20 H new ATOM 0 HB2 GLU A 11 -4.146 20.411 5.235 1.00 20.54 H new ATOM 0 HB3 GLU A 11 -2.448 20.845 5.214 1.00 20.54 H new ATOM 0 HG2 GLU A 11 -3.099 22.273 3.573 1.00 42.33 H new ATOM 0 HG3 GLU A 11 -2.917 20.865 2.547 1.00 42.33 H new ATOM 178 N LEU A 12 -1.415 18.584 6.202 1.00 54.34 N ATOM 179 CA LEU A 12 -0.932 18.003 7.461 1.00 61.15 C ATOM 180 C LEU A 12 -0.002 18.995 8.195 1.00 4.21 C ATOM 181 O LEU A 12 0.564 19.890 7.568 1.00 65.13 O ATOM 182 CB LEU A 12 -0.222 16.653 7.196 1.00 61.04 C ATOM 183 CG LEU A 12 0.499 16.516 5.838 1.00 60.33 C ATOM 184 CD1 LEU A 12 1.613 17.547 5.682 1.00 2.41 C ATOM 185 CD2 LEU A 12 1.044 15.100 5.663 1.00 23.24 C ATOM 0 H LEU A 12 -0.806 19.311 5.827 1.00 54.34 H new ATOM 0 HA LEU A 12 -1.787 17.809 8.108 1.00 61.15 H new ATOM 0 HB2 LEU A 12 0.507 16.488 7.989 1.00 61.04 H new ATOM 0 HB3 LEU A 12 -0.962 15.856 7.273 1.00 61.04 H new ATOM 0 HG LEU A 12 -0.234 16.708 5.054 1.00 60.33 H new ATOM 0 HD11 LEU A 12 2.096 17.417 4.713 1.00 2.41 H new ATOM 0 HD12 LEU A 12 1.192 18.550 5.746 1.00 2.41 H new ATOM 0 HD13 LEU A 12 2.348 17.411 6.475 1.00 2.41 H new ATOM 0 HD21 LEU A 12 1.549 15.021 4.700 1.00 23.24 H new ATOM 0 HD22 LEU A 12 1.751 14.881 6.463 1.00 23.24 H new ATOM 0 HD23 LEU A 12 0.221 14.386 5.701 1.00 23.24 H new ATOM 197 N PRO A 13 0.147 18.875 9.532 1.00 75.15 N ATOM 198 CA PRO A 13 0.980 19.807 10.322 1.00 35.25 C ATOM 199 C PRO A 13 2.492 19.628 10.087 1.00 11.25 C ATOM 200 O PRO A 13 3.244 20.604 10.038 1.00 41.54 O ATOM 201 CB PRO A 13 0.607 19.467 11.770 1.00 2.32 C ATOM 202 CG PRO A 13 0.172 18.039 11.724 1.00 24.53 C ATOM 203 CD PRO A 13 -0.489 17.847 10.382 1.00 74.30 C ATOM 0 HA PRO A 13 0.793 20.845 10.046 1.00 35.25 H new ATOM 0 HB2 PRO A 13 1.457 19.601 12.440 1.00 2.32 H new ATOM 0 HB3 PRO A 13 -0.192 20.113 12.135 1.00 2.32 H new ATOM 0 HG2 PRO A 13 1.023 17.368 11.839 1.00 24.53 H new ATOM 0 HG3 PRO A 13 -0.521 17.816 12.535 1.00 24.53 H new ATOM 0 HD2 PRO A 13 -0.320 16.843 9.992 1.00 74.30 H new ATOM 0 HD3 PRO A 13 -1.568 17.988 10.443 1.00 74.30 H new ATOM 211 N PHE A 14 2.933 18.379 9.959 1.00 53.23 N ATOM 212 CA PHE A 14 4.348 18.071 9.707 1.00 53.10 C ATOM 213 C PHE A 14 4.696 18.206 8.213 1.00 61.44 C ATOM 214 O PHE A 14 4.366 17.342 7.401 1.00 72.12 O ATOM 215 CB PHE A 14 4.704 16.667 10.240 1.00 34.23 C ATOM 216 CG PHE A 14 3.617 15.627 10.067 1.00 52.34 C ATOM 217 CD1 PHE A 14 3.510 14.888 8.898 1.00 12.44 C ATOM 218 CD2 PHE A 14 2.703 15.389 11.087 1.00 71.53 C ATOM 219 CE1 PHE A 14 2.518 13.937 8.751 1.00 32.04 C ATOM 220 CE2 PHE A 14 1.709 14.439 10.942 1.00 11.45 C ATOM 221 CZ PHE A 14 1.617 13.713 9.774 1.00 71.35 C ATOM 0 H PHE A 14 2.332 17.557 10.025 1.00 53.23 H new ATOM 0 HA PHE A 14 4.951 18.801 10.247 1.00 53.10 H new ATOM 0 HB2 PHE A 14 5.604 16.319 9.733 1.00 34.23 H new ATOM 0 HB3 PHE A 14 4.946 16.747 11.300 1.00 34.23 H new ATOM 0 HD1 PHE A 14 4.210 15.058 8.093 1.00 12.44 H new ATOM 0 HD2 PHE A 14 2.770 15.954 12.005 1.00 71.53 H new ATOM 0 HE1 PHE A 14 2.447 13.368 7.836 1.00 32.04 H new ATOM 0 HE2 PHE A 14 1.005 14.266 11.743 1.00 11.45 H new ATOM 0 HZ PHE A 14 0.842 12.970 9.659 1.00 71.35 H new ATOM 231 N GLU A 15 5.363 19.306 7.860 1.00 65.12 N ATOM 232 CA GLU A 15 5.688 19.613 6.460 1.00 55.32 C ATOM 233 C GLU A 15 6.999 18.945 6.004 1.00 32.53 C ATOM 234 O GLU A 15 7.258 18.829 4.808 1.00 12.33 O ATOM 235 CB GLU A 15 5.783 21.134 6.264 1.00 74.31 C ATOM 236 CG GLU A 15 4.495 21.880 6.601 1.00 74.30 C ATOM 237 CD GLU A 15 4.635 23.386 6.444 1.00 73.33 C ATOM 238 OE1 GLU A 15 5.123 24.043 7.387 1.00 43.11 O ATOM 239 OE2 GLU A 15 4.260 23.920 5.378 1.00 60.31 O ATOM 0 H GLU A 15 5.692 20.005 8.526 1.00 65.12 H new ATOM 0 HA GLU A 15 4.884 19.209 5.845 1.00 55.32 H new ATOM 0 HB2 GLU A 15 6.590 21.521 6.886 1.00 74.31 H new ATOM 0 HB3 GLU A 15 6.052 21.341 5.228 1.00 74.31 H new ATOM 0 HG2 GLU A 15 3.693 21.524 5.954 1.00 74.30 H new ATOM 0 HG3 GLU A 15 4.204 21.651 7.626 1.00 74.30 H new ATOM 246 N ARG A 16 7.830 18.519 6.954 1.00 63.34 N ATOM 247 CA ARG A 16 9.095 17.838 6.628 1.00 25.10 C ATOM 248 C ARG A 16 9.155 16.443 7.275 1.00 73.32 C ATOM 249 O ARG A 16 9.299 16.312 8.496 1.00 34.24 O ATOM 250 CB ARG A 16 10.291 18.689 7.082 1.00 44.44 C ATOM 251 CG ARG A 16 10.269 20.124 6.552 1.00 33.21 C ATOM 252 CD ARG A 16 10.327 20.181 5.025 1.00 33.12 C ATOM 253 NE ARG A 16 10.062 21.529 4.518 1.00 44.45 N ATOM 254 CZ ARG A 16 10.277 21.914 3.288 1.00 12.44 C ATOM 255 NH1 ARG A 16 10.851 21.126 2.440 1.00 4.10 N ATOM 256 NH2 ARG A 16 9.954 23.109 2.919 1.00 51.43 N ATOM 0 H ARG A 16 7.657 18.630 7.953 1.00 63.34 H new ATOM 0 HA ARG A 16 9.143 17.711 5.546 1.00 25.10 H new ATOM 0 HB2 ARG A 16 10.313 18.715 8.171 1.00 44.44 H new ATOM 0 HB3 ARG A 16 11.212 18.206 6.756 1.00 44.44 H new ATOM 0 HG2 ARG A 16 9.363 20.622 6.898 1.00 33.21 H new ATOM 0 HG3 ARG A 16 11.114 20.675 6.966 1.00 33.21 H new ATOM 0 HD2 ARG A 16 11.310 19.853 4.687 1.00 33.12 H new ATOM 0 HD3 ARG A 16 9.598 19.486 4.608 1.00 33.12 H new ATOM 0 HE ARG A 16 9.683 22.215 5.171 1.00 44.45 H new ATOM 0 HH11 ARG A 16 11.142 20.192 2.728 1.00 4.10 H new ATOM 0 HH12 ARG A 16 11.013 21.438 1.483 1.00 4.10 H new ATOM 0 HH21 ARG A 16 9.531 23.752 3.588 1.00 51.43 H new ATOM 0 HH22 ARG A 16 10.122 23.409 1.959 1.00 51.43 H new ATOM 270 N VAL A 17 9.046 15.402 6.447 1.00 64.14 N ATOM 271 CA VAL A 17 8.987 14.015 6.935 1.00 4.41 C ATOM 272 C VAL A 17 10.146 13.152 6.408 1.00 3.13 C ATOM 273 O VAL A 17 10.929 13.582 5.558 1.00 64.04 O ATOM 274 CB VAL A 17 7.643 13.341 6.551 1.00 11.32 C ATOM 275 CG1 VAL A 17 6.465 14.069 7.197 1.00 54.30 C ATOM 276 CG2 VAL A 17 7.478 13.282 5.033 1.00 34.15 C ATOM 0 H VAL A 17 8.996 15.490 5.432 1.00 64.14 H new ATOM 0 HA VAL A 17 9.072 14.077 8.020 1.00 4.41 H new ATOM 0 HB VAL A 17 7.658 12.319 6.930 1.00 11.32 H new ATOM 0 HG11 VAL A 17 5.534 13.578 6.913 1.00 54.30 H new ATOM 0 HG12 VAL A 17 6.572 14.044 8.281 1.00 54.30 H new ATOM 0 HG13 VAL A 17 6.447 15.105 6.858 1.00 54.30 H new ATOM 0 HG21 VAL A 17 6.529 12.805 4.788 1.00 34.15 H new ATOM 0 HG22 VAL A 17 7.492 14.293 4.626 1.00 34.15 H new ATOM 0 HG23 VAL A 17 8.296 12.705 4.600 1.00 34.15 H new ATOM 286 N TYR A 18 10.244 11.931 6.929 1.00 72.22 N ATOM 287 CA TYR A 18 11.284 10.978 6.523 1.00 23.11 C ATOM 288 C TYR A 18 10.745 9.538 6.554 1.00 40.52 C ATOM 289 O TYR A 18 9.844 9.225 7.329 1.00 75.43 O ATOM 290 CB TYR A 18 12.499 11.113 7.456 1.00 52.01 C ATOM 291 CG TYR A 18 13.620 10.124 7.177 1.00 34.22 C ATOM 292 CD1 TYR A 18 14.344 10.181 5.991 1.00 44.01 C ATOM 293 CD2 TYR A 18 13.960 9.141 8.103 1.00 53.42 C ATOM 294 CE1 TYR A 18 15.368 9.290 5.736 1.00 0.22 C ATOM 295 CE2 TYR A 18 14.984 8.245 7.853 1.00 4.35 C ATOM 296 CZ TYR A 18 15.686 8.327 6.669 1.00 13.35 C ATOM 297 OH TYR A 18 16.715 7.445 6.416 1.00 52.21 O ATOM 0 H TYR A 18 9.609 11.572 7.642 1.00 72.22 H new ATOM 0 HA TYR A 18 11.588 11.204 5.501 1.00 23.11 H new ATOM 0 HB2 TYR A 18 12.895 12.125 7.372 1.00 52.01 H new ATOM 0 HB3 TYR A 18 12.166 10.985 8.486 1.00 52.01 H new ATOM 0 HD1 TYR A 18 14.101 10.935 5.257 1.00 44.01 H new ATOM 0 HD2 TYR A 18 13.415 9.077 9.033 1.00 53.42 H new ATOM 0 HE1 TYR A 18 15.918 9.348 4.808 1.00 0.22 H new ATOM 0 HE2 TYR A 18 15.232 7.486 8.580 1.00 4.35 H new ATOM 0 HH TYR A 18 16.812 6.830 7.173 1.00 52.21 H new ATOM 307 N ILE A 19 11.299 8.666 5.716 1.00 72.12 N ATOM 308 CA ILE A 19 10.871 7.261 5.662 1.00 72.34 C ATOM 309 C ILE A 19 12.011 6.310 6.055 1.00 54.34 C ATOM 310 O ILE A 19 13.184 6.590 5.807 1.00 75.33 O ATOM 311 CB ILE A 19 10.371 6.877 4.246 1.00 21.24 C ATOM 312 CG1 ILE A 19 9.820 5.437 4.230 1.00 52.42 C ATOM 313 CG2 ILE A 19 11.495 7.042 3.219 1.00 1.11 C ATOM 314 CD1 ILE A 19 9.305 4.986 2.877 1.00 11.22 C ATOM 0 H ILE A 19 12.046 8.902 5.063 1.00 72.12 H new ATOM 0 HA ILE A 19 10.054 7.159 6.376 1.00 72.34 H new ATOM 0 HB ILE A 19 9.557 7.550 3.975 1.00 21.24 H new ATOM 0 HG12 ILE A 19 10.606 4.755 4.553 1.00 52.42 H new ATOM 0 HG13 ILE A 19 9.012 5.360 4.958 1.00 52.42 H new ATOM 0 HG21 ILE A 19 11.127 6.768 2.230 1.00 1.11 H new ATOM 0 HG22 ILE A 19 11.828 8.080 3.208 1.00 1.11 H new ATOM 0 HG23 ILE A 19 12.331 6.396 3.487 1.00 1.11 H new ATOM 0 HD11 ILE A 19 8.935 3.963 2.951 1.00 11.22 H new ATOM 0 HD12 ILE A 19 8.495 5.642 2.559 1.00 11.22 H new ATOM 0 HD13 ILE A 19 10.114 5.028 2.147 1.00 11.22 H new ATOM 326 N THR A 20 11.656 5.190 6.674 1.00 12.31 N ATOM 327 CA THR A 20 12.628 4.135 6.993 1.00 4.13 C ATOM 328 C THR A 20 12.011 2.741 6.802 1.00 22.41 C ATOM 329 O THR A 20 11.013 2.390 7.437 1.00 33.23 O ATOM 330 CB THR A 20 13.191 4.273 8.434 1.00 62.34 C ATOM 331 OG1 THR A 20 14.049 3.164 8.741 1.00 13.34 O ATOM 332 CG2 THR A 20 12.075 4.367 9.472 1.00 1.54 C ATOM 0 H THR A 20 10.702 4.983 6.968 1.00 12.31 H new ATOM 0 HA THR A 20 13.459 4.254 6.298 1.00 4.13 H new ATOM 0 HB THR A 20 13.765 5.199 8.473 1.00 62.34 H new ATOM 0 HG1 THR A 20 14.399 3.263 9.651 1.00 13.34 H new ATOM 0 HG21 THR A 20 12.510 4.462 10.467 1.00 1.54 H new ATOM 0 HG22 THR A 20 11.455 5.239 9.262 1.00 1.54 H new ATOM 0 HG23 THR A 20 11.462 3.467 9.429 1.00 1.54 H new ATOM 340 N ALA A 21 12.601 1.959 5.900 1.00 60.22 N ATOM 341 CA ALA A 21 12.102 0.615 5.582 1.00 42.31 C ATOM 342 C ALA A 21 13.188 -0.447 5.804 1.00 42.15 C ATOM 343 O ALA A 21 14.360 -0.214 5.506 1.00 65.44 O ATOM 344 CB ALA A 21 11.606 0.568 4.138 1.00 63.24 C ATOM 0 H ALA A 21 13.430 2.232 5.372 1.00 60.22 H new ATOM 0 HA ALA A 21 11.272 0.394 6.253 1.00 42.31 H new ATOM 0 HB1 ALA A 21 11.238 -0.433 3.912 1.00 63.24 H new ATOM 0 HB2 ALA A 21 10.799 1.289 4.007 1.00 63.24 H new ATOM 0 HB3 ALA A 21 12.426 0.814 3.463 1.00 63.24 H new ATOM 350 N PRO A 22 12.813 -1.636 6.321 1.00 23.11 N ATOM 351 CA PRO A 22 13.775 -2.717 6.608 1.00 64.42 C ATOM 352 C PRO A 22 14.295 -3.429 5.344 1.00 1.34 C ATOM 353 O PRO A 22 15.313 -4.121 5.386 1.00 40.13 O ATOM 354 CB PRO A 22 12.956 -3.683 7.474 1.00 73.54 C ATOM 355 CG PRO A 22 11.546 -3.485 7.027 1.00 51.21 C ATOM 356 CD PRO A 22 11.427 -2.023 6.676 1.00 21.03 C ATOM 0 HA PRO A 22 14.677 -2.336 7.087 1.00 64.42 H new ATOM 0 HB2 PRO A 22 13.277 -4.715 7.329 1.00 73.54 H new ATOM 0 HB3 PRO A 22 13.071 -3.459 8.535 1.00 73.54 H new ATOM 0 HG2 PRO A 22 11.317 -4.114 6.166 1.00 51.21 H new ATOM 0 HG3 PRO A 22 10.844 -3.756 7.816 1.00 51.21 H new ATOM 0 HD2 PRO A 22 10.741 -1.865 5.844 1.00 21.03 H new ATOM 0 HD3 PRO A 22 11.050 -1.439 7.515 1.00 21.03 H new ATOM 364 N ALA A 23 13.594 -3.255 4.225 1.00 2.30 N ATOM 365 CA ALA A 23 13.968 -3.912 2.967 1.00 43.43 C ATOM 366 C ALA A 23 13.446 -3.138 1.745 1.00 52.23 C ATOM 367 O ALA A 23 12.581 -2.267 1.872 1.00 52.41 O ATOM 368 CB ALA A 23 13.446 -5.348 2.951 1.00 21.11 C ATOM 0 H ALA A 23 12.764 -2.666 4.160 1.00 2.30 H new ATOM 0 HA ALA A 23 15.056 -3.925 2.907 1.00 43.43 H new ATOM 0 HB1 ALA A 23 13.728 -5.827 2.014 1.00 21.11 H new ATOM 0 HB2 ALA A 23 13.877 -5.901 3.786 1.00 21.11 H new ATOM 0 HB3 ALA A 23 12.360 -5.341 3.042 1.00 21.11 H new ATOM 374 N GLY A 24 13.971 -3.467 0.562 1.00 12.31 N ATOM 375 CA GLY A 24 13.546 -2.795 -0.664 1.00 55.15 C ATOM 376 C GLY A 24 12.137 -3.186 -1.102 1.00 60.12 C ATOM 377 O GLY A 24 11.957 -4.019 -1.993 1.00 42.44 O ATOM 0 H GLY A 24 14.682 -4.186 0.429 1.00 12.31 H new ATOM 0 HA2 GLY A 24 13.587 -1.716 -0.513 1.00 55.15 H new ATOM 0 HA3 GLY A 24 14.248 -3.032 -1.464 1.00 55.15 H new ATOM 381 N LEU A 25 11.138 -2.582 -0.465 1.00 24.34 N ATOM 382 CA LEU A 25 9.729 -2.888 -0.738 1.00 32.42 C ATOM 383 C LEU A 25 9.087 -1.836 -1.660 1.00 55.53 C ATOM 384 O LEU A 25 9.277 -0.631 -1.474 1.00 50.11 O ATOM 385 CB LEU A 25 8.958 -2.968 0.586 1.00 33.32 C ATOM 386 CG LEU A 25 9.495 -4.004 1.593 1.00 0.22 C ATOM 387 CD1 LEU A 25 8.783 -3.876 2.937 1.00 72.54 C ATOM 388 CD2 LEU A 25 9.357 -5.423 1.039 1.00 41.41 C ATOM 0 H LEU A 25 11.276 -1.870 0.252 1.00 24.34 H new ATOM 0 HA LEU A 25 9.683 -3.848 -1.252 1.00 32.42 H new ATOM 0 HB2 LEU A 25 8.972 -1.985 1.057 1.00 33.32 H new ATOM 0 HB3 LEU A 25 7.916 -3.202 0.368 1.00 33.32 H new ATOM 0 HG LEU A 25 10.555 -3.803 1.751 1.00 0.22 H new ATOM 0 HD11 LEU A 25 9.179 -4.618 3.631 1.00 72.54 H new ATOM 0 HD12 LEU A 25 8.946 -2.877 3.341 1.00 72.54 H new ATOM 0 HD13 LEU A 25 7.714 -4.042 2.800 1.00 72.54 H new ATOM 0 HD21 LEU A 25 9.742 -6.137 1.767 1.00 41.41 H new ATOM 0 HD22 LEU A 25 8.306 -5.636 0.843 1.00 41.41 H new ATOM 0 HD23 LEU A 25 9.924 -5.508 0.112 1.00 41.41 H new ATOM 400 N THR A 26 8.309 -2.303 -2.638 1.00 2.31 N ATOM 401 CA THR A 26 7.639 -1.423 -3.614 1.00 20.33 C ATOM 402 C THR A 26 6.819 -0.319 -2.930 1.00 14.53 C ATOM 403 O THR A 26 6.794 0.825 -3.390 1.00 14.03 O ATOM 404 CB THR A 26 6.689 -2.228 -4.532 1.00 5.03 C ATOM 405 OG1 THR A 26 5.683 -2.877 -3.735 1.00 74.33 O ATOM 406 CG2 THR A 26 7.455 -3.273 -5.340 1.00 55.13 C ATOM 0 H THR A 26 8.122 -3.296 -2.781 1.00 2.31 H new ATOM 0 HA THR A 26 8.435 -0.966 -4.203 1.00 20.33 H new ATOM 0 HB THR A 26 6.220 -1.534 -5.229 1.00 5.03 H new ATOM 0 HG1 THR A 26 4.802 -2.734 -4.140 1.00 74.33 H new ATOM 0 HG21 THR A 26 6.760 -3.822 -5.975 1.00 55.13 H new ATOM 0 HG22 THR A 26 8.201 -2.777 -5.961 1.00 55.13 H new ATOM 0 HG23 THR A 26 7.951 -3.966 -4.661 1.00 55.13 H new ATOM 414 N ILE A 27 6.156 -0.680 -1.829 1.00 11.22 N ATOM 415 CA ILE A 27 5.297 0.243 -1.072 1.00 74.55 C ATOM 416 C ILE A 27 5.974 1.609 -0.814 1.00 61.34 C ATOM 417 O ILE A 27 5.362 2.660 -1.011 1.00 42.11 O ATOM 418 CB ILE A 27 4.870 -0.395 0.283 1.00 15.34 C ATOM 419 CG1 ILE A 27 3.862 0.499 1.028 1.00 74.43 C ATOM 420 CG2 ILE A 27 6.089 -0.687 1.162 1.00 15.24 C ATOM 421 CD1 ILE A 27 2.510 0.587 0.350 1.00 62.12 C ATOM 0 H ILE A 27 6.197 -1.620 -1.434 1.00 11.22 H new ATOM 0 HA ILE A 27 4.416 0.424 -1.687 1.00 74.55 H new ATOM 0 HB ILE A 27 4.378 -1.342 0.060 1.00 15.34 H new ATOM 0 HG12 ILE A 27 3.727 0.115 2.039 1.00 74.43 H new ATOM 0 HG13 ILE A 27 4.278 1.502 1.121 1.00 74.43 H new ATOM 0 HG21 ILE A 27 5.762 -1.132 2.102 1.00 15.24 H new ATOM 0 HG22 ILE A 27 6.753 -1.379 0.645 1.00 15.24 H new ATOM 0 HG23 ILE A 27 6.621 0.242 1.366 1.00 15.24 H new ATOM 0 HD11 ILE A 27 1.853 1.233 0.932 1.00 62.12 H new ATOM 0 HD12 ILE A 27 2.631 1.000 -0.652 1.00 62.12 H new ATOM 0 HD13 ILE A 27 2.072 -0.409 0.281 1.00 62.12 H new ATOM 433 N GLY A 28 7.244 1.585 -0.408 1.00 32.01 N ATOM 434 CA GLY A 28 7.955 2.817 -0.071 1.00 35.14 C ATOM 435 C GLY A 28 8.294 3.677 -1.286 1.00 3.10 C ATOM 436 O GLY A 28 8.394 4.900 -1.181 1.00 4.31 O ATOM 0 H GLY A 28 7.797 0.734 -0.305 1.00 32.01 H new ATOM 0 HA2 GLY A 28 7.346 3.401 0.619 1.00 35.14 H new ATOM 0 HA3 GLY A 28 8.876 2.563 0.453 1.00 35.14 H new ATOM 440 N SER A 29 8.463 3.040 -2.443 1.00 2.23 N ATOM 441 CA SER A 29 8.826 3.757 -3.675 1.00 71.03 C ATOM 442 C SER A 29 7.703 4.694 -4.137 1.00 31.34 C ATOM 443 O SER A 29 7.949 5.853 -4.476 1.00 73.33 O ATOM 444 CB SER A 29 9.171 2.765 -4.792 1.00 3.25 C ATOM 445 OG SER A 29 9.497 3.440 -5.998 1.00 11.55 O ATOM 0 H SER A 29 8.356 2.032 -2.559 1.00 2.23 H new ATOM 0 HA SER A 29 9.702 4.366 -3.452 1.00 71.03 H new ATOM 0 HB2 SER A 29 10.011 2.143 -4.482 1.00 3.25 H new ATOM 0 HB3 SER A 29 8.326 2.098 -4.963 1.00 3.25 H new ATOM 0 HG SER A 29 9.993 4.259 -5.791 1.00 11.55 H new ATOM 451 N ASP A 30 6.468 4.189 -4.154 1.00 50.34 N ATOM 452 CA ASP A 30 5.303 5.002 -4.524 1.00 2.10 C ATOM 453 C ASP A 30 4.896 5.948 -3.382 1.00 62.45 C ATOM 454 O ASP A 30 4.382 7.045 -3.619 1.00 55.14 O ATOM 455 CB ASP A 30 4.120 4.100 -4.898 1.00 52.11 C ATOM 456 CG ASP A 30 4.409 3.235 -6.112 1.00 71.30 C ATOM 457 OD1 ASP A 30 4.274 3.735 -7.251 1.00 70.51 O ATOM 458 OD2 ASP A 30 4.769 2.052 -5.939 1.00 21.44 O ATOM 0 H ASP A 30 6.247 3.222 -3.916 1.00 50.34 H new ATOM 0 HA ASP A 30 5.581 5.607 -5.387 1.00 2.10 H new ATOM 0 HB2 ASP A 30 3.873 3.460 -4.051 1.00 52.11 H new ATOM 0 HB3 ASP A 30 3.245 4.718 -5.097 1.00 52.11 H new ATOM 463 N LEU A 31 5.145 5.512 -2.147 1.00 3.12 N ATOM 464 CA LEU A 31 4.768 6.267 -0.944 1.00 32.14 C ATOM 465 C LEU A 31 5.331 7.700 -0.946 1.00 22.23 C ATOM 466 O LEU A 31 4.577 8.676 -1.013 1.00 55.14 O ATOM 467 CB LEU A 31 5.244 5.516 0.308 1.00 14.43 C ATOM 468 CG LEU A 31 4.846 6.145 1.654 1.00 52.41 C ATOM 469 CD1 LEU A 31 3.328 6.256 1.772 1.00 71.12 C ATOM 470 CD2 LEU A 31 5.428 5.342 2.815 1.00 22.32 C ATOM 0 H LEU A 31 5.613 4.628 -1.949 1.00 3.12 H new ATOM 0 HA LEU A 31 3.681 6.351 -0.939 1.00 32.14 H new ATOM 0 HB2 LEU A 31 4.850 4.500 0.272 1.00 14.43 H new ATOM 0 HB3 LEU A 31 6.331 5.438 0.271 1.00 14.43 H new ATOM 0 HG LEU A 31 5.260 7.152 1.698 1.00 52.41 H new ATOM 0 HD11 LEU A 31 3.069 6.703 2.732 1.00 71.12 H new ATOM 0 HD12 LEU A 31 2.945 6.881 0.965 1.00 71.12 H new ATOM 0 HD13 LEU A 31 2.884 5.263 1.703 1.00 71.12 H new ATOM 0 HD21 LEU A 31 5.136 5.803 3.759 1.00 22.32 H new ATOM 0 HD22 LEU A 31 5.049 4.321 2.777 1.00 22.32 H new ATOM 0 HD23 LEU A 31 6.515 5.329 2.739 1.00 22.32 H new ATOM 482 N GLU A 32 6.656 7.819 -0.891 1.00 20.02 N ATOM 483 CA GLU A 32 7.317 9.127 -0.801 1.00 64.15 C ATOM 484 C GLU A 32 6.964 10.051 -1.977 1.00 4.05 C ATOM 485 O GLU A 32 7.147 11.270 -1.896 1.00 1.05 O ATOM 486 CB GLU A 32 8.833 8.945 -0.712 1.00 25.43 C ATOM 487 CG GLU A 32 9.275 8.096 0.472 1.00 74.54 C ATOM 488 CD GLU A 32 8.697 8.579 1.795 1.00 34.11 C ATOM 489 OE1 GLU A 32 7.596 8.126 2.172 1.00 15.21 O ATOM 490 OE2 GLU A 32 9.348 9.406 2.460 1.00 73.24 O ATOM 0 H GLU A 32 7.297 7.026 -0.907 1.00 20.02 H new ATOM 0 HA GLU A 32 6.950 9.609 0.105 1.00 64.15 H new ATOM 0 HB2 GLU A 32 9.190 8.484 -1.633 1.00 25.43 H new ATOM 0 HB3 GLU A 32 9.305 9.925 -0.642 1.00 25.43 H new ATOM 0 HG2 GLU A 32 8.972 7.062 0.305 1.00 74.54 H new ATOM 0 HG3 GLU A 32 10.363 8.104 0.532 1.00 74.54 H new ATOM 497 N ARG A 33 6.474 9.474 -3.071 1.00 75.01 N ATOM 498 CA ARG A 33 5.975 10.272 -4.194 1.00 0.12 C ATOM 499 C ARG A 33 4.663 10.958 -3.800 1.00 10.14 C ATOM 500 O ARG A 33 4.577 12.184 -3.752 1.00 65.34 O ATOM 501 CB ARG A 33 5.738 9.393 -5.430 1.00 61.55 C ATOM 502 CG ARG A 33 6.912 8.494 -5.794 1.00 70.02 C ATOM 503 CD ARG A 33 6.594 7.612 -7.000 1.00 53.23 C ATOM 504 NE ARG A 33 7.524 6.492 -7.114 1.00 24.52 N ATOM 505 CZ ARG A 33 7.433 5.546 -8.010 1.00 40.33 C ATOM 506 NH1 ARG A 33 6.499 5.573 -8.910 1.00 23.34 N ATOM 507 NH2 ARG A 33 8.274 4.563 -8.002 1.00 63.02 N ATOM 0 H ARG A 33 6.411 8.465 -3.206 1.00 75.01 H new ATOM 0 HA ARG A 33 6.726 11.023 -4.439 1.00 0.12 H new ATOM 0 HB2 ARG A 33 4.860 8.771 -5.256 1.00 61.55 H new ATOM 0 HB3 ARG A 33 5.510 10.036 -6.280 1.00 61.55 H new ATOM 0 HG2 ARG A 33 7.786 9.107 -6.012 1.00 70.02 H new ATOM 0 HG3 ARG A 33 7.168 7.866 -4.941 1.00 70.02 H new ATOM 0 HD2 ARG A 33 5.576 7.232 -6.914 1.00 53.23 H new ATOM 0 HD3 ARG A 33 6.634 8.212 -7.909 1.00 53.23 H new ATOM 0 HE ARG A 33 8.296 6.445 -6.449 1.00 24.52 H new ATOM 0 HH11 ARG A 33 5.825 6.339 -8.923 1.00 23.34 H new ATOM 0 HH12 ARG A 33 6.438 4.828 -9.604 1.00 23.34 H new ATOM 0 HH21 ARG A 33 9.009 4.526 -7.296 1.00 63.02 H new ATOM 0 HH22 ARG A 33 8.202 3.825 -8.702 1.00 63.02 H new ATOM 521 N VAL A 34 3.656 10.143 -3.479 1.00 73.12 N ATOM 522 CA VAL A 34 2.320 10.637 -3.127 1.00 22.30 C ATOM 523 C VAL A 34 2.353 11.601 -1.926 1.00 43.35 C ATOM 524 O VAL A 34 1.649 12.614 -1.915 1.00 52.23 O ATOM 525 CB VAL A 34 1.358 9.459 -2.825 1.00 74.23 C ATOM 526 CG1 VAL A 34 -0.031 9.964 -2.438 1.00 70.21 C ATOM 527 CG2 VAL A 34 1.273 8.515 -4.026 1.00 42.00 C ATOM 0 H VAL A 34 3.741 9.127 -3.455 1.00 73.12 H new ATOM 0 HA VAL A 34 1.953 11.191 -3.991 1.00 22.30 H new ATOM 0 HB VAL A 34 1.760 8.906 -1.976 1.00 74.23 H new ATOM 0 HG11 VAL A 34 -0.683 9.115 -2.232 1.00 70.21 H new ATOM 0 HG12 VAL A 34 0.044 10.588 -1.547 1.00 70.21 H new ATOM 0 HG13 VAL A 34 -0.447 10.550 -3.258 1.00 70.21 H new ATOM 0 HG21 VAL A 34 0.594 7.694 -3.796 1.00 42.00 H new ATOM 0 HG22 VAL A 34 0.902 9.062 -4.893 1.00 42.00 H new ATOM 0 HG23 VAL A 34 2.263 8.116 -4.246 1.00 42.00 H new ATOM 537 N ILE A 35 3.173 11.291 -0.924 1.00 54.13 N ATOM 538 CA ILE A 35 3.326 12.168 0.245 1.00 44.21 C ATOM 539 C ILE A 35 3.915 13.538 -0.144 1.00 73.34 C ATOM 540 O ILE A 35 3.469 14.578 0.335 1.00 14.21 O ATOM 541 CB ILE A 35 4.225 11.517 1.329 1.00 42.32 C ATOM 542 CG1 ILE A 35 3.585 10.220 1.858 1.00 42.35 C ATOM 543 CG2 ILE A 35 4.490 12.495 2.479 1.00 75.23 C ATOM 544 CD1 ILE A 35 4.386 9.544 2.954 1.00 74.51 C ATOM 0 H ILE A 35 3.741 10.444 -0.894 1.00 54.13 H new ATOM 0 HA ILE A 35 2.326 12.317 0.652 1.00 44.21 H new ATOM 0 HB ILE A 35 5.181 11.266 0.869 1.00 42.32 H new ATOM 0 HG12 ILE A 35 2.588 10.446 2.236 1.00 42.35 H new ATOM 0 HG13 ILE A 35 3.461 9.523 1.029 1.00 42.35 H new ATOM 0 HG21 ILE A 35 5.122 12.015 3.226 1.00 75.23 H new ATOM 0 HG22 ILE A 35 4.993 13.382 2.094 1.00 75.23 H new ATOM 0 HG23 ILE A 35 3.544 12.784 2.936 1.00 75.23 H new ATOM 0 HD11 ILE A 35 3.872 8.638 3.275 1.00 74.51 H new ATOM 0 HD12 ILE A 35 5.375 9.285 2.575 1.00 74.51 H new ATOM 0 HD13 ILE A 35 4.488 10.222 3.801 1.00 74.51 H new ATOM 556 N SER A 36 4.912 13.533 -1.022 1.00 63.30 N ATOM 557 CA SER A 36 5.592 14.775 -1.421 1.00 54.41 C ATOM 558 C SER A 36 4.796 15.562 -2.473 1.00 71.01 C ATOM 559 O SER A 36 4.996 16.769 -2.637 1.00 30.33 O ATOM 560 CB SER A 36 6.993 14.465 -1.964 1.00 62.21 C ATOM 561 OG SER A 36 7.691 15.651 -2.325 1.00 22.11 O ATOM 0 H SER A 36 5.271 12.691 -1.473 1.00 63.30 H new ATOM 0 HA SER A 36 5.670 15.396 -0.529 1.00 54.41 H new ATOM 0 HB2 SER A 36 7.563 13.922 -1.211 1.00 62.21 H new ATOM 0 HB3 SER A 36 6.910 13.812 -2.833 1.00 62.21 H new ATOM 0 HG SER A 36 8.580 15.417 -2.665 1.00 22.11 H new ATOM 567 N THR A 37 3.911 14.878 -3.194 1.00 51.31 N ATOM 568 CA THR A 37 3.121 15.505 -4.267 1.00 61.31 C ATOM 569 C THR A 37 1.713 15.921 -3.802 1.00 64.34 C ATOM 570 O THR A 37 1.318 17.080 -3.951 1.00 42.33 O ATOM 571 CB THR A 37 2.974 14.555 -5.480 1.00 33.45 C ATOM 572 OG1 THR A 37 2.371 13.321 -5.059 1.00 1.54 O ATOM 573 CG2 THR A 37 4.328 14.272 -6.131 1.00 52.23 C ATOM 0 H THR A 37 3.718 13.886 -3.059 1.00 51.31 H new ATOM 0 HA THR A 37 3.671 16.401 -4.554 1.00 61.31 H new ATOM 0 HB THR A 37 2.338 15.043 -6.218 1.00 33.45 H new ATOM 0 HG1 THR A 37 3.030 12.785 -4.571 1.00 1.54 H new ATOM 0 HG21 THR A 37 4.191 13.602 -6.980 1.00 52.23 H new ATOM 0 HG22 THR A 37 4.769 15.208 -6.475 1.00 52.23 H new ATOM 0 HG23 THR A 37 4.991 13.804 -5.403 1.00 52.23 H new ATOM 581 N HIS A 38 0.955 14.970 -3.254 1.00 74.15 N ATOM 582 CA HIS A 38 -0.431 15.225 -2.829 1.00 11.22 C ATOM 583 C HIS A 38 -0.499 16.084 -1.550 1.00 24.31 C ATOM 584 O HIS A 38 -1.282 17.030 -1.476 1.00 44.21 O ATOM 585 CB HIS A 38 -1.186 13.902 -2.618 1.00 11.13 C ATOM 586 CG HIS A 38 -1.383 13.103 -3.875 1.00 30.25 C ATOM 587 ND1 HIS A 38 -0.540 12.832 -4.901 1.00 3.53 N flip ATOM 588 CD2 HIS A 38 -2.560 12.453 -4.181 1.00 10.13 C flip ATOM 589 CE1 HIS A 38 -1.217 12.039 -5.791 1.00 33.52 C flip ATOM 590 NE2 HIS A 38 -2.430 11.825 -5.332 1.00 73.22 N flip ATOM 0 H HIS A 38 1.273 14.015 -3.092 1.00 74.15 H new ATOM 0 HA HIS A 38 -0.911 15.788 -3.630 1.00 11.22 H new ATOM 0 HB2 HIS A 38 -0.640 13.295 -1.896 1.00 11.13 H new ATOM 0 HB3 HIS A 38 -2.161 14.118 -2.180 1.00 11.13 H new ATOM 0 HD1 HIS A 38 0.422 13.158 -4.994 1.00 3.53 H new ATOM 0 HD2 HIS A 38 -3.451 12.458 -3.571 1.00 10.13 H new ATOM 0 HE1 HIS A 38 -0.819 11.653 -6.718 1.00 33.52 H new ATOM 599 N THR A 39 0.303 15.744 -0.538 1.00 23.14 N ATOM 600 CA THR A 39 0.360 16.540 0.701 1.00 35.21 C ATOM 601 C THR A 39 1.563 17.491 0.706 1.00 14.53 C ATOM 602 O THR A 39 2.487 17.356 -0.094 1.00 35.05 O ATOM 603 CB THR A 39 0.412 15.655 1.978 1.00 33.23 C ATOM 604 OG1 THR A 39 1.293 14.541 1.791 1.00 21.40 O ATOM 605 CG2 THR A 39 -0.972 15.151 2.361 1.00 64.03 C ATOM 0 H THR A 39 0.919 14.931 -0.546 1.00 23.14 H new ATOM 0 HA THR A 39 -0.563 17.120 0.720 1.00 35.21 H new ATOM 0 HB THR A 39 0.791 16.279 2.788 1.00 33.23 H new ATOM 0 HG1 THR A 39 2.168 14.863 1.489 1.00 21.40 H new ATOM 0 HG21 THR A 39 -0.900 14.536 3.258 1.00 64.03 H new ATOM 0 HG22 THR A 39 -1.627 16.000 2.555 1.00 64.03 H new ATOM 0 HG23 THR A 39 -1.381 14.556 1.545 1.00 64.03 H new ATOM 613 N ARG A 40 1.545 18.451 1.627 1.00 44.32 N ATOM 614 CA ARG A 40 2.608 19.458 1.724 1.00 74.44 C ATOM 615 C ARG A 40 3.923 18.868 2.276 1.00 42.42 C ATOM 616 O ARG A 40 4.981 19.493 2.179 1.00 13.11 O ATOM 617 CB ARG A 40 2.136 20.625 2.609 1.00 73.45 C ATOM 618 CG ARG A 40 3.102 21.812 2.681 1.00 71.40 C ATOM 619 CD ARG A 40 3.295 22.490 1.323 1.00 35.03 C ATOM 620 NE ARG A 40 4.034 21.650 0.380 1.00 0.12 N ATOM 621 CZ ARG A 40 3.759 21.546 -0.895 1.00 34.22 C ATOM 622 NH1 ARG A 40 2.795 22.233 -1.424 1.00 4.20 N ATOM 623 NH2 ARG A 40 4.449 20.747 -1.636 1.00 54.21 N ATOM 0 H ARG A 40 0.805 18.556 2.321 1.00 44.32 H new ATOM 0 HA ARG A 40 2.816 19.818 0.717 1.00 74.44 H new ATOM 0 HB2 ARG A 40 1.175 20.979 2.236 1.00 73.45 H new ATOM 0 HB3 ARG A 40 1.967 20.251 3.619 1.00 73.45 H new ATOM 0 HG2 ARG A 40 2.724 22.541 3.398 1.00 71.40 H new ATOM 0 HG3 ARG A 40 4.067 21.469 3.053 1.00 71.40 H new ATOM 0 HD2 ARG A 40 2.321 22.735 0.901 1.00 35.03 H new ATOM 0 HD3 ARG A 40 3.828 23.431 1.462 1.00 35.03 H new ATOM 0 HE ARG A 40 4.818 21.108 0.742 1.00 0.12 H new ATOM 0 HH11 ARG A 40 2.241 22.864 -0.845 1.00 4.20 H new ATOM 0 HH12 ARG A 40 2.591 22.143 -2.419 1.00 4.20 H new ATOM 0 HH21 ARG A 40 5.206 20.199 -1.228 1.00 54.21 H new ATOM 0 HH22 ARG A 40 4.238 20.663 -2.630 1.00 54.21 H new ATOM 637 N ALA A 41 3.848 17.664 2.836 1.00 60.43 N ATOM 638 CA ALA A 41 5.008 17.023 3.467 1.00 34.25 C ATOM 639 C ALA A 41 6.131 16.717 2.461 1.00 71.12 C ATOM 640 O ALA A 41 6.062 15.749 1.705 1.00 33.01 O ATOM 641 CB ALA A 41 4.579 15.746 4.183 1.00 2.43 C ATOM 0 H ALA A 41 2.994 17.107 2.868 1.00 60.43 H new ATOM 0 HA ALA A 41 5.411 17.730 4.192 1.00 34.25 H new ATOM 0 HB1 ALA A 41 5.448 15.280 4.647 1.00 2.43 H new ATOM 0 HB2 ALA A 41 3.844 15.989 4.951 1.00 2.43 H new ATOM 0 HB3 ALA A 41 4.138 15.056 3.464 1.00 2.43 H new ATOM 647 N LYS A 42 7.158 17.566 2.445 1.00 5.44 N ATOM 648 CA LYS A 42 8.351 17.329 1.629 1.00 32.14 C ATOM 649 C LYS A 42 9.304 16.379 2.377 1.00 1.33 C ATOM 650 O LYS A 42 9.670 16.626 3.530 1.00 64.34 O ATOM 651 CB LYS A 42 9.051 18.668 1.309 1.00 53.14 C ATOM 652 CG LYS A 42 9.899 18.671 0.027 1.00 1.22 C ATOM 653 CD LYS A 42 11.095 17.721 0.097 1.00 4.15 C ATOM 654 CE LYS A 42 11.918 17.744 -1.189 1.00 51.04 C ATOM 655 NZ LYS A 42 12.999 16.721 -1.182 1.00 20.03 N ATOM 0 H LYS A 42 7.189 18.428 2.990 1.00 5.44 H new ATOM 0 HA LYS A 42 8.060 16.865 0.687 1.00 32.14 H new ATOM 0 HB2 LYS A 42 8.292 19.446 1.226 1.00 53.14 H new ATOM 0 HB3 LYS A 42 9.691 18.936 2.150 1.00 53.14 H new ATOM 0 HG2 LYS A 42 9.270 18.392 -0.818 1.00 1.22 H new ATOM 0 HG3 LYS A 42 10.257 19.683 -0.162 1.00 1.22 H new ATOM 0 HD2 LYS A 42 11.730 17.998 0.939 1.00 4.15 H new ATOM 0 HD3 LYS A 42 10.742 16.707 0.284 1.00 4.15 H new ATOM 0 HE2 LYS A 42 11.262 17.571 -2.042 1.00 51.04 H new ATOM 0 HE3 LYS A 42 12.357 18.733 -1.320 1.00 51.04 H new ATOM 0 HZ1 LYS A 42 13.924 17.193 -1.124 1.00 20.03 H new ATOM 0 HZ2 LYS A 42 12.878 16.094 -0.361 1.00 20.03 H new ATOM 0 HZ3 LYS A 42 12.952 16.160 -2.056 1.00 20.03 H new ATOM 669 N VAL A 43 9.705 15.297 1.717 1.00 41.12 N ATOM 670 CA VAL A 43 10.530 14.260 2.349 1.00 1.43 C ATOM 671 C VAL A 43 12.030 14.606 2.319 1.00 51.22 C ATOM 672 O VAL A 43 12.567 15.021 1.287 1.00 11.33 O ATOM 673 CB VAL A 43 10.308 12.892 1.659 1.00 65.33 C ATOM 674 CG1 VAL A 43 11.151 11.807 2.323 1.00 20.42 C ATOM 675 CG2 VAL A 43 8.822 12.522 1.669 1.00 72.53 C ATOM 0 H VAL A 43 9.474 15.111 0.741 1.00 41.12 H new ATOM 0 HA VAL A 43 10.217 14.205 3.392 1.00 1.43 H new ATOM 0 HB VAL A 43 10.629 12.973 0.621 1.00 65.33 H new ATOM 0 HG11 VAL A 43 10.979 10.855 1.822 1.00 20.42 H new ATOM 0 HG12 VAL A 43 12.206 12.070 2.250 1.00 20.42 H new ATOM 0 HG13 VAL A 43 10.871 11.720 3.373 1.00 20.42 H new ATOM 0 HG21 VAL A 43 8.684 11.558 1.180 1.00 72.53 H new ATOM 0 HG22 VAL A 43 8.469 12.461 2.699 1.00 72.53 H new ATOM 0 HG23 VAL A 43 8.254 13.284 1.136 1.00 72.53 H new ATOM 685 N VAL A 44 12.701 14.423 3.456 1.00 43.42 N ATOM 686 CA VAL A 44 14.146 14.671 3.565 1.00 55.23 C ATOM 687 C VAL A 44 14.963 13.373 3.414 1.00 64.11 C ATOM 688 O VAL A 44 14.412 12.272 3.380 1.00 72.03 O ATOM 689 CB VAL A 44 14.509 15.347 4.914 1.00 74.24 C ATOM 690 CG1 VAL A 44 13.964 16.772 4.976 1.00 11.34 C ATOM 691 CG2 VAL A 44 13.995 14.520 6.092 1.00 41.12 C ATOM 0 H VAL A 44 12.267 14.102 4.322 1.00 43.42 H new ATOM 0 HA VAL A 44 14.403 15.345 2.748 1.00 55.23 H new ATOM 0 HB VAL A 44 15.596 15.398 4.982 1.00 74.24 H new ATOM 0 HG11 VAL A 44 14.232 17.223 5.931 1.00 11.34 H new ATOM 0 HG12 VAL A 44 14.391 17.361 4.164 1.00 11.34 H new ATOM 0 HG13 VAL A 44 12.879 16.751 4.877 1.00 11.34 H new ATOM 0 HG21 VAL A 44 14.261 15.014 7.027 1.00 41.12 H new ATOM 0 HG22 VAL A 44 12.911 14.428 6.026 1.00 41.12 H new ATOM 0 HG23 VAL A 44 14.446 13.528 6.064 1.00 41.12 H new ATOM 701 N ASN A 45 16.284 13.523 3.328 1.00 11.14 N ATOM 702 CA ASN A 45 17.200 12.390 3.123 1.00 50.23 C ATOM 703 C ASN A 45 17.530 11.654 4.439 1.00 13.25 C ATOM 704 O ASN A 45 17.918 10.483 4.426 1.00 71.24 O ATOM 705 CB ASN A 45 18.500 12.897 2.481 1.00 72.40 C ATOM 706 CG ASN A 45 19.486 11.788 2.161 1.00 13.04 C ATOM 707 OD1 ASN A 45 19.104 10.676 1.813 1.00 65.13 O ATOM 708 ND2 ASN A 45 20.765 12.079 2.283 1.00 64.25 N ATOM 0 H ASN A 45 16.753 14.426 3.397 1.00 11.14 H new ATOM 0 HA ASN A 45 16.700 11.678 2.467 1.00 50.23 H new ATOM 0 HB2 ASN A 45 18.258 13.434 1.564 1.00 72.40 H new ATOM 0 HB3 ASN A 45 18.974 13.612 3.154 1.00 72.40 H new ATOM 0 HD21 ASN A 45 21.471 11.369 2.086 1.00 64.25 H new ATOM 0 HD22 ASN A 45 21.050 13.014 2.575 1.00 64.25 H new ATOM 715 N LYS A 46 17.369 12.337 5.571 1.00 32.44 N ATOM 716 CA LYS A 46 17.804 11.794 6.867 1.00 72.42 C ATOM 717 C LYS A 46 16.853 12.188 8.010 1.00 32.13 C ATOM 718 O LYS A 46 15.903 12.939 7.810 1.00 50.23 O ATOM 719 CB LYS A 46 19.228 12.272 7.189 1.00 52.30 C ATOM 720 CG LYS A 46 19.355 13.785 7.396 1.00 0.14 C ATOM 721 CD LYS A 46 19.239 14.581 6.095 1.00 63.55 C ATOM 722 CE LYS A 46 19.484 16.073 6.321 1.00 55.41 C ATOM 723 NZ LYS A 46 19.614 16.822 5.042 1.00 71.44 N ATOM 0 H LYS A 46 16.944 13.263 5.623 1.00 32.44 H new ATOM 0 HA LYS A 46 17.789 10.707 6.784 1.00 72.42 H new ATOM 0 HB2 LYS A 46 19.574 11.764 8.089 1.00 52.30 H new ATOM 0 HB3 LYS A 46 19.891 11.971 6.378 1.00 52.30 H new ATOM 0 HG2 LYS A 46 18.581 14.117 8.088 1.00 0.14 H new ATOM 0 HG3 LYS A 46 20.315 14.002 7.863 1.00 0.14 H new ATOM 0 HD2 LYS A 46 19.958 14.200 5.370 1.00 63.55 H new ATOM 0 HD3 LYS A 46 18.247 14.436 5.667 1.00 63.55 H new ATOM 0 HE2 LYS A 46 18.662 16.490 6.902 1.00 55.41 H new ATOM 0 HE3 LYS A 46 20.391 16.205 6.911 1.00 55.41 H new ATOM 0 HZ1 LYS A 46 19.779 17.829 5.244 1.00 71.44 H new ATOM 0 HZ2 LYS A 46 20.415 16.443 4.497 1.00 71.44 H new ATOM 0 HZ3 LYS A 46 18.739 16.719 4.489 1.00 71.44 H new ATOM 737 N ALA A 47 17.129 11.682 9.213 1.00 4.31 N ATOM 738 CA ALA A 47 16.272 11.933 10.382 1.00 20.21 C ATOM 739 C ALA A 47 16.938 12.857 11.418 1.00 0.43 C ATOM 740 O ALA A 47 16.412 13.046 12.516 1.00 11.42 O ATOM 741 CB ALA A 47 15.901 10.605 11.033 1.00 75.44 C ATOM 0 H ALA A 47 17.940 11.094 9.408 1.00 4.31 H new ATOM 0 HA ALA A 47 15.377 12.445 10.028 1.00 20.21 H new ATOM 0 HB1 ALA A 47 15.266 10.789 11.899 1.00 75.44 H new ATOM 0 HB2 ALA A 47 15.364 9.985 10.315 1.00 75.44 H new ATOM 0 HB3 ALA A 47 16.807 10.090 11.351 1.00 75.44 H new ATOM 747 N GLU A 48 18.082 13.451 11.069 1.00 30.31 N ATOM 748 CA GLU A 48 18.838 14.276 12.026 1.00 13.12 C ATOM 749 C GLU A 48 18.050 15.523 12.474 1.00 72.30 C ATOM 750 O GLU A 48 18.373 16.134 13.496 1.00 34.44 O ATOM 751 CB GLU A 48 20.201 14.681 11.440 1.00 5.14 C ATOM 752 CG GLU A 48 20.123 15.628 10.245 1.00 0.13 C ATOM 753 CD GLU A 48 21.494 15.928 9.650 1.00 74.14 C ATOM 754 OE1 GLU A 48 22.162 16.870 10.126 1.00 2.25 O ATOM 755 OE2 GLU A 48 21.913 15.223 8.709 1.00 52.40 O ATOM 0 H GLU A 48 18.505 13.380 10.143 1.00 30.31 H new ATOM 0 HA GLU A 48 19.004 13.663 12.912 1.00 13.12 H new ATOM 0 HB2 GLU A 48 20.793 15.154 12.224 1.00 5.14 H new ATOM 0 HB3 GLU A 48 20.734 13.780 11.138 1.00 5.14 H new ATOM 0 HG2 GLU A 48 19.485 15.189 9.478 1.00 0.13 H new ATOM 0 HG3 GLU A 48 19.652 16.561 10.555 1.00 0.13 H new ATOM 762 N LYS A 49 17.014 15.890 11.717 1.00 41.40 N ATOM 763 CA LYS A 49 16.126 16.999 12.095 1.00 1.22 C ATOM 764 C LYS A 49 14.834 16.987 11.253 1.00 62.32 C ATOM 765 O LYS A 49 14.804 17.505 10.132 1.00 1.23 O ATOM 766 CB LYS A 49 16.856 18.346 11.932 1.00 70.55 C ATOM 767 CG LYS A 49 16.143 19.529 12.587 1.00 51.14 C ATOM 768 CD LYS A 49 16.032 19.356 14.102 1.00 32.05 C ATOM 769 CE LYS A 49 15.426 20.585 14.772 1.00 20.33 C ATOM 770 NZ LYS A 49 14.053 20.878 14.284 1.00 1.13 N ATOM 0 H LYS A 49 16.767 15.437 10.837 1.00 41.40 H new ATOM 0 HA LYS A 49 15.850 16.870 13.141 1.00 1.22 H new ATOM 0 HB2 LYS A 49 17.856 18.258 12.357 1.00 70.55 H new ATOM 0 HB3 LYS A 49 16.979 18.554 10.869 1.00 70.55 H new ATOM 0 HG2 LYS A 49 16.685 20.448 12.365 1.00 51.14 H new ATOM 0 HG3 LYS A 49 15.146 19.635 12.159 1.00 51.14 H new ATOM 0 HD2 LYS A 49 15.419 18.482 14.324 1.00 32.05 H new ATOM 0 HD3 LYS A 49 17.021 19.166 14.519 1.00 32.05 H new ATOM 0 HE2 LYS A 49 15.400 20.431 15.851 1.00 20.33 H new ATOM 0 HE3 LYS A 49 16.066 21.448 14.588 1.00 20.33 H new ATOM 0 HZ1 LYS A 49 13.640 21.646 14.850 1.00 1.13 H new ATOM 0 HZ2 LYS A 49 14.094 21.167 13.286 1.00 1.13 H new ATOM 0 HZ3 LYS A 49 13.463 20.026 14.374 1.00 1.13 H new ATOM 784 N SER A 50 13.771 16.382 11.787 1.00 51.24 N ATOM 785 CA SER A 50 12.487 16.280 11.067 1.00 55.41 C ATOM 786 C SER A 50 11.285 16.400 12.018 1.00 5.53 C ATOM 787 O SER A 50 11.442 16.576 13.228 1.00 41.41 O ATOM 788 CB SER A 50 12.401 14.949 10.304 1.00 21.44 C ATOM 789 OG SER A 50 12.382 13.844 11.197 1.00 63.33 O ATOM 0 H SER A 50 13.767 15.954 12.713 1.00 51.24 H new ATOM 0 HA SER A 50 12.450 17.111 10.362 1.00 55.41 H new ATOM 0 HB2 SER A 50 11.502 14.938 9.688 1.00 21.44 H new ATOM 0 HB3 SER A 50 13.251 14.859 9.628 1.00 21.44 H new ATOM 0 HG SER A 50 12.325 13.010 10.685 1.00 63.33 H new ATOM 795 N GLU A 51 10.079 16.315 11.452 1.00 20.43 N ATOM 796 CA GLU A 51 8.833 16.404 12.233 1.00 12.25 C ATOM 797 C GLU A 51 8.168 15.027 12.422 1.00 11.00 C ATOM 798 O GLU A 51 7.635 14.726 13.493 1.00 24.21 O ATOM 799 CB GLU A 51 7.857 17.376 11.544 1.00 72.31 C ATOM 800 CG GLU A 51 7.743 18.736 12.226 1.00 31.44 C ATOM 801 CD GLU A 51 6.946 18.676 13.521 1.00 23.33 C ATOM 802 OE1 GLU A 51 5.698 18.701 13.454 1.00 32.43 O ATOM 803 OE2 GLU A 51 7.559 18.600 14.606 1.00 64.32 O ATOM 0 H GLU A 51 9.934 16.184 10.451 1.00 20.43 H new ATOM 0 HA GLU A 51 9.088 16.779 13.224 1.00 12.25 H new ATOM 0 HB2 GLU A 51 8.178 17.525 10.513 1.00 72.31 H new ATOM 0 HB3 GLU A 51 6.869 16.916 11.508 1.00 72.31 H new ATOM 0 HG2 GLU A 51 8.742 19.118 12.436 1.00 31.44 H new ATOM 0 HG3 GLU A 51 7.269 19.442 11.544 1.00 31.44 H new ATOM 810 N ALA A 52 8.190 14.197 11.381 1.00 72.04 N ATOM 811 CA ALA A 52 7.572 12.866 11.440 1.00 73.32 C ATOM 812 C ALA A 52 8.329 11.850 10.573 1.00 44.22 C ATOM 813 O ALA A 52 8.967 12.214 9.585 1.00 24.42 O ATOM 814 CB ALA A 52 6.111 12.948 11.009 1.00 64.21 C ATOM 0 H ALA A 52 8.627 14.418 10.486 1.00 72.04 H new ATOM 0 HA ALA A 52 7.623 12.519 12.472 1.00 73.32 H new ATOM 0 HB1 ALA A 52 5.662 11.956 11.056 1.00 64.21 H new ATOM 0 HB2 ALA A 52 5.573 13.622 11.675 1.00 64.21 H new ATOM 0 HB3 ALA A 52 6.054 13.324 9.988 1.00 64.21 H new ATOM 820 N ILE A 53 8.254 10.576 10.951 1.00 24.51 N ATOM 821 CA ILE A 53 8.931 9.497 10.220 1.00 32.33 C ATOM 822 C ILE A 53 7.996 8.301 9.982 1.00 51.05 C ATOM 823 O ILE A 53 7.459 7.724 10.926 1.00 20.44 O ATOM 824 CB ILE A 53 10.192 9.004 10.980 1.00 74.04 C ATOM 825 CG1 ILE A 53 11.250 10.117 11.048 1.00 41.51 C ATOM 826 CG2 ILE A 53 10.769 7.747 10.327 1.00 51.12 C ATOM 827 CD1 ILE A 53 12.537 9.698 11.726 1.00 73.32 C ATOM 0 H ILE A 53 7.728 10.260 11.765 1.00 24.51 H new ATOM 0 HA ILE A 53 9.228 9.914 9.258 1.00 32.33 H new ATOM 0 HB ILE A 53 9.896 8.748 11.997 1.00 74.04 H new ATOM 0 HG12 ILE A 53 11.476 10.452 10.036 1.00 41.51 H new ATOM 0 HG13 ILE A 53 10.831 10.971 11.581 1.00 41.51 H new ATOM 0 HG21 ILE A 53 11.651 7.423 10.879 1.00 51.12 H new ATOM 0 HG22 ILE A 53 10.021 6.954 10.340 1.00 51.12 H new ATOM 0 HG23 ILE A 53 11.046 7.967 9.296 1.00 51.12 H new ATOM 0 HD11 ILE A 53 13.233 10.537 11.735 1.00 73.32 H new ATOM 0 HD12 ILE A 53 12.325 9.391 12.750 1.00 73.32 H new ATOM 0 HD13 ILE A 53 12.980 8.864 11.182 1.00 73.32 H new ATOM 839 N ILE A 54 7.810 7.930 8.719 1.00 64.13 N ATOM 840 CA ILE A 54 6.988 6.770 8.368 1.00 73.13 C ATOM 841 C ILE A 54 7.845 5.495 8.312 1.00 41.45 C ATOM 842 O ILE A 54 8.771 5.382 7.503 1.00 35.10 O ATOM 843 CB ILE A 54 6.251 6.956 7.007 1.00 71.43 C ATOM 844 CG1 ILE A 54 5.183 8.070 7.090 1.00 12.13 C ATOM 845 CG2 ILE A 54 5.607 5.641 6.556 1.00 62.33 C ATOM 846 CD1 ILE A 54 5.739 9.472 7.255 1.00 1.13 C ATOM 0 H ILE A 54 8.217 8.414 7.919 1.00 64.13 H new ATOM 0 HA ILE A 54 6.234 6.674 9.150 1.00 73.13 H new ATOM 0 HB ILE A 54 6.996 7.255 6.270 1.00 71.43 H new ATOM 0 HG12 ILE A 54 4.575 8.039 6.186 1.00 12.13 H new ATOM 0 HG13 ILE A 54 4.519 7.856 7.928 1.00 12.13 H new ATOM 0 HG21 ILE A 54 5.098 5.793 5.604 1.00 62.33 H new ATOM 0 HG22 ILE A 54 6.378 4.880 6.438 1.00 62.33 H new ATOM 0 HG23 ILE A 54 4.886 5.313 7.305 1.00 62.33 H new ATOM 0 HD11 ILE A 54 4.917 10.186 7.304 1.00 1.13 H new ATOM 0 HD12 ILE A 54 6.322 9.526 8.174 1.00 1.13 H new ATOM 0 HD13 ILE A 54 6.378 9.712 6.405 1.00 1.13 H new ATOM 858 N GLN A 55 7.544 4.542 9.186 1.00 52.23 N ATOM 859 CA GLN A 55 8.262 3.264 9.220 1.00 24.21 C ATOM 860 C GLN A 55 7.352 2.106 8.792 1.00 24.33 C ATOM 861 O GLN A 55 6.478 1.672 9.549 1.00 54.44 O ATOM 862 CB GLN A 55 8.817 2.998 10.627 1.00 4.35 C ATOM 863 CG GLN A 55 9.607 1.697 10.751 1.00 1.14 C ATOM 864 CD GLN A 55 10.136 1.467 12.160 1.00 61.14 C ATOM 865 OE1 GLN A 55 11.240 1.883 12.501 1.00 62.31 O ATOM 866 NE2 GLN A 55 9.355 0.804 12.993 1.00 75.43 N ATOM 0 H GLN A 55 6.806 4.626 9.885 1.00 52.23 H new ATOM 0 HA GLN A 55 9.091 3.329 8.515 1.00 24.21 H new ATOM 0 HB2 GLN A 55 9.460 3.830 10.915 1.00 4.35 H new ATOM 0 HB3 GLN A 55 7.988 2.976 11.334 1.00 4.35 H new ATOM 0 HG2 GLN A 55 8.970 0.860 10.465 1.00 1.14 H new ATOM 0 HG3 GLN A 55 10.443 1.715 10.051 1.00 1.14 H new ATOM 0 HE21 GLN A 55 8.443 0.471 12.681 1.00 75.43 H new ATOM 0 HE22 GLN A 55 9.664 0.625 13.949 1.00 75.43 H new ATOM 875 N ILE A 56 7.547 1.617 7.571 1.00 64.42 N ATOM 876 CA ILE A 56 6.784 0.470 7.076 1.00 34.54 C ATOM 877 C ILE A 56 7.427 -0.841 7.576 1.00 24.51 C ATOM 878 O ILE A 56 8.528 -1.207 7.174 1.00 73.34 O ATOM 879 CB ILE A 56 6.658 0.513 5.518 1.00 43.22 C ATOM 880 CG1 ILE A 56 5.683 -0.564 4.987 1.00 63.41 C ATOM 881 CG2 ILE A 56 8.025 0.402 4.837 1.00 34.04 C ATOM 882 CD1 ILE A 56 6.265 -1.959 4.866 1.00 72.14 C ATOM 0 H ILE A 56 8.223 1.993 6.907 1.00 64.42 H new ATOM 0 HA ILE A 56 5.769 0.515 7.472 1.00 34.54 H new ATOM 0 HB ILE A 56 6.239 1.486 5.263 1.00 43.22 H new ATOM 0 HG12 ILE A 56 4.817 -0.605 5.648 1.00 63.41 H new ATOM 0 HG13 ILE A 56 5.321 -0.252 4.007 1.00 63.41 H new ATOM 0 HG21 ILE A 56 7.896 0.436 3.755 1.00 34.04 H new ATOM 0 HG22 ILE A 56 8.657 1.232 5.153 1.00 34.04 H new ATOM 0 HG23 ILE A 56 8.496 -0.540 5.117 1.00 34.04 H new ATOM 0 HD11 ILE A 56 5.503 -2.639 4.486 1.00 72.14 H new ATOM 0 HD12 ILE A 56 7.111 -1.942 4.179 1.00 72.14 H new ATOM 0 HD13 ILE A 56 6.599 -2.300 5.846 1.00 72.14 H new ATOM 894 N VAL A 57 6.728 -1.530 8.477 1.00 52.55 N ATOM 895 CA VAL A 57 7.280 -2.707 9.157 1.00 52.04 C ATOM 896 C VAL A 57 7.421 -3.911 8.208 1.00 11.24 C ATOM 897 O VAL A 57 8.476 -4.541 8.147 1.00 64.31 O ATOM 898 CB VAL A 57 6.408 -3.103 10.379 1.00 1.44 C ATOM 899 CG1 VAL A 57 7.074 -4.217 11.184 1.00 63.52 C ATOM 900 CG2 VAL A 57 6.129 -1.885 11.260 1.00 72.31 C ATOM 0 H VAL A 57 5.775 -1.295 8.755 1.00 52.55 H new ATOM 0 HA VAL A 57 8.276 -2.430 9.502 1.00 52.04 H new ATOM 0 HB VAL A 57 5.454 -3.480 10.009 1.00 1.44 H new ATOM 0 HG11 VAL A 57 6.444 -4.477 12.035 1.00 63.52 H new ATOM 0 HG12 VAL A 57 7.208 -5.094 10.550 1.00 63.52 H new ATOM 0 HG13 VAL A 57 8.045 -3.876 11.542 1.00 63.52 H new ATOM 0 HG21 VAL A 57 5.517 -2.184 12.111 1.00 72.31 H new ATOM 0 HG22 VAL A 57 7.072 -1.472 11.619 1.00 72.31 H new ATOM 0 HG23 VAL A 57 5.600 -1.130 10.679 1.00 72.31 H new ATOM 910 N HIS A 58 6.350 -4.227 7.473 1.00 5.13 N ATOM 911 CA HIS A 58 6.375 -5.333 6.500 1.00 70.51 C ATOM 912 C HIS A 58 5.110 -5.366 5.621 1.00 22.44 C ATOM 913 O HIS A 58 3.987 -5.236 6.117 1.00 64.32 O ATOM 914 CB HIS A 58 6.565 -6.688 7.208 1.00 14.34 C ATOM 915 CG HIS A 58 5.655 -6.915 8.380 1.00 23.43 C ATOM 916 ND1 HIS A 58 4.282 -6.974 8.276 1.00 13.15 N ATOM 917 CD2 HIS A 58 5.932 -7.104 9.691 1.00 54.02 C ATOM 918 CE1 HIS A 58 3.758 -7.186 9.465 1.00 24.11 C ATOM 919 NE2 HIS A 58 4.735 -7.267 10.340 1.00 41.43 N ATOM 0 H HIS A 58 5.457 -3.737 7.530 1.00 5.13 H new ATOM 0 HA HIS A 58 7.227 -5.154 5.845 1.00 70.51 H new ATOM 0 HB2 HIS A 58 6.408 -7.487 6.483 1.00 14.34 H new ATOM 0 HB3 HIS A 58 7.598 -6.764 7.547 1.00 14.34 H new ATOM 0 HD2 HIS A 58 6.913 -7.123 10.142 1.00 54.02 H new ATOM 0 HE1 HIS A 58 2.704 -7.278 9.684 1.00 24.11 H new ATOM 0 HE2 HIS A 58 4.621 -7.426 11.341 1.00 41.43 H new ATOM 928 N ALA A 59 5.304 -5.549 4.312 1.00 64.01 N ATOM 929 CA ALA A 59 4.195 -5.635 3.349 1.00 44.45 C ATOM 930 C ALA A 59 3.947 -7.092 2.913 1.00 21.14 C ATOM 931 O ALA A 59 4.841 -7.743 2.367 1.00 54.40 O ATOM 932 CB ALA A 59 4.492 -4.765 2.133 1.00 63.30 C ATOM 0 H ALA A 59 6.227 -5.642 3.889 1.00 64.01 H new ATOM 0 HA ALA A 59 3.291 -5.272 3.838 1.00 44.45 H new ATOM 0 HB1 ALA A 59 3.666 -4.835 1.425 1.00 63.30 H new ATOM 0 HB2 ALA A 59 4.614 -3.729 2.448 1.00 63.30 H new ATOM 0 HB3 ALA A 59 5.409 -5.109 1.655 1.00 63.30 H new ATOM 938 N ILE A 60 2.737 -7.599 3.154 1.00 63.13 N ATOM 939 CA ILE A 60 2.396 -8.998 2.835 1.00 31.11 C ATOM 940 C ILE A 60 1.477 -9.085 1.604 1.00 72.24 C ATOM 941 O ILE A 60 0.533 -8.310 1.477 1.00 61.41 O ATOM 942 CB ILE A 60 1.679 -9.707 4.022 1.00 45.30 C ATOM 943 CG1 ILE A 60 2.473 -9.564 5.334 1.00 5.03 C ATOM 944 CG2 ILE A 60 1.444 -11.185 3.702 1.00 31.13 C ATOM 945 CD1 ILE A 60 2.304 -8.221 6.017 1.00 24.03 C ATOM 0 H ILE A 60 1.972 -7.067 3.569 1.00 63.13 H new ATOM 0 HA ILE A 60 3.343 -9.498 2.631 1.00 31.11 H new ATOM 0 HB ILE A 60 0.715 -9.217 4.162 1.00 45.30 H new ATOM 0 HG12 ILE A 60 2.162 -10.351 6.022 1.00 5.03 H new ATOM 0 HG13 ILE A 60 3.531 -9.723 5.125 1.00 5.03 H new ATOM 0 HG21 ILE A 60 0.942 -11.664 4.543 1.00 31.13 H new ATOM 0 HG22 ILE A 60 0.821 -11.270 2.811 1.00 31.13 H new ATOM 0 HG23 ILE A 60 2.401 -11.675 3.524 1.00 31.13 H new ATOM 0 HD11 ILE A 60 2.895 -8.202 6.933 1.00 24.03 H new ATOM 0 HD12 ILE A 60 2.642 -7.428 5.350 1.00 24.03 H new ATOM 0 HD13 ILE A 60 1.253 -8.066 6.260 1.00 24.03 H new ATOM 957 N ARG A 61 1.745 -10.039 0.712 1.00 51.13 N ATOM 958 CA ARG A 61 0.886 -10.268 -0.463 1.00 31.35 C ATOM 959 C ARG A 61 0.493 -11.753 -0.604 1.00 12.53 C ATOM 960 O ARG A 61 1.255 -12.575 -1.105 1.00 50.14 O ATOM 961 CB ARG A 61 1.556 -9.727 -1.750 1.00 73.21 C ATOM 962 CG ARG A 61 3.089 -9.794 -1.774 1.00 61.34 C ATOM 963 CD ARG A 61 3.620 -11.220 -1.861 1.00 21.33 C ATOM 964 NE ARG A 61 5.079 -11.260 -1.914 1.00 72.14 N ATOM 965 CZ ARG A 61 5.789 -12.347 -1.779 1.00 20.33 C ATOM 966 NH1 ARG A 61 5.217 -13.492 -1.575 1.00 61.10 N ATOM 967 NH2 ARG A 61 7.077 -12.279 -1.838 1.00 44.34 N ATOM 0 H ARG A 61 2.546 -10.667 0.775 1.00 51.13 H new ATOM 0 HA ARG A 61 -0.039 -9.711 -0.311 1.00 31.35 H new ATOM 0 HB2 ARG A 61 1.172 -10.288 -2.602 1.00 73.21 H new ATOM 0 HB3 ARG A 61 1.253 -8.689 -1.888 1.00 73.21 H new ATOM 0 HG2 ARG A 61 3.459 -9.222 -2.624 1.00 61.34 H new ATOM 0 HG3 ARG A 61 3.482 -9.320 -0.875 1.00 61.34 H new ATOM 0 HD2 ARG A 61 3.273 -11.789 -0.998 1.00 21.33 H new ATOM 0 HD3 ARG A 61 3.212 -11.705 -2.748 1.00 21.33 H new ATOM 0 HE ARG A 61 5.575 -10.382 -2.066 1.00 72.14 H new ATOM 0 HH11 ARG A 61 4.200 -13.551 -1.518 1.00 61.10 H new ATOM 0 HH12 ARG A 61 5.784 -14.334 -1.471 1.00 61.10 H new ATOM 0 HH21 ARG A 61 7.534 -11.380 -1.989 1.00 44.34 H new ATOM 0 HH22 ARG A 61 7.638 -13.125 -1.733 1.00 44.34 H new ATOM 981 N GLU A 62 -0.713 -12.085 -0.153 1.00 33.52 N ATOM 982 CA GLU A 62 -1.215 -13.464 -0.193 1.00 62.33 C ATOM 983 C GLU A 62 -2.296 -13.636 -1.271 1.00 70.14 C ATOM 984 O GLU A 62 -2.946 -12.671 -1.673 1.00 23.12 O ATOM 985 CB GLU A 62 -1.783 -13.850 1.180 1.00 35.22 C ATOM 986 CG GLU A 62 -0.763 -13.802 2.312 1.00 62.25 C ATOM 987 CD GLU A 62 0.325 -14.857 2.172 1.00 22.41 C ATOM 988 OE1 GLU A 62 1.340 -14.594 1.501 1.00 40.21 O ATOM 989 OE2 GLU A 62 0.161 -15.964 2.729 1.00 41.13 O ATOM 0 H GLU A 62 -1.369 -11.415 0.248 1.00 33.52 H new ATOM 0 HA GLU A 62 -0.381 -14.120 -0.444 1.00 62.33 H new ATOM 0 HB2 GLU A 62 -2.609 -13.180 1.421 1.00 35.22 H new ATOM 0 HB3 GLU A 62 -2.196 -14.857 1.120 1.00 35.22 H new ATOM 0 HG2 GLU A 62 -0.303 -12.814 2.339 1.00 62.25 H new ATOM 0 HG3 GLU A 62 -1.276 -13.940 3.263 1.00 62.25 H new ATOM 996 N LYS A 63 -2.497 -14.870 -1.729 1.00 30.41 N ATOM 997 CA LYS A 63 -3.505 -15.152 -2.758 1.00 41.54 C ATOM 998 C LYS A 63 -4.149 -16.536 -2.563 1.00 53.25 C ATOM 999 O LYS A 63 -3.474 -17.499 -2.198 1.00 44.24 O ATOM 1000 CB LYS A 63 -2.878 -15.047 -4.157 1.00 41.44 C ATOM 1001 CG LYS A 63 -1.747 -16.040 -4.424 1.00 51.43 C ATOM 1002 CD LYS A 63 -1.269 -15.975 -5.874 1.00 43.12 C ATOM 1003 CE LYS A 63 -0.630 -14.631 -6.211 1.00 32.41 C ATOM 1004 NZ LYS A 63 0.683 -14.455 -5.538 1.00 25.50 N ATOM 0 H LYS A 63 -1.980 -15.689 -1.408 1.00 30.41 H new ATOM 0 HA LYS A 63 -4.294 -14.406 -2.662 1.00 41.54 H new ATOM 0 HB2 LYS A 63 -3.659 -15.197 -4.903 1.00 41.44 H new ATOM 0 HB3 LYS A 63 -2.496 -14.036 -4.294 1.00 41.44 H new ATOM 0 HG2 LYS A 63 -0.912 -15.829 -3.756 1.00 51.43 H new ATOM 0 HG3 LYS A 63 -2.089 -17.050 -4.198 1.00 51.43 H new ATOM 0 HD2 LYS A 63 -0.548 -16.773 -6.053 1.00 43.12 H new ATOM 0 HD3 LYS A 63 -2.113 -16.152 -6.541 1.00 43.12 H new ATOM 0 HE2 LYS A 63 -0.498 -14.553 -7.290 1.00 32.41 H new ATOM 0 HE3 LYS A 63 -1.301 -13.825 -5.913 1.00 32.41 H new ATOM 0 HZ1 LYS A 63 1.122 -13.568 -5.859 1.00 25.50 H new ATOM 0 HZ2 LYS A 63 0.543 -14.419 -4.508 1.00 25.50 H new ATOM 0 HZ3 LYS A 63 1.305 -15.254 -5.775 1.00 25.50 H new ATOM 1018 N ARG A 64 -5.460 -16.620 -2.810 1.00 44.51 N ATOM 1019 CA ARG A 64 -6.213 -17.878 -2.659 1.00 34.42 C ATOM 1020 C ARG A 64 -7.577 -17.803 -3.373 1.00 13.52 C ATOM 1021 O ARG A 64 -7.976 -16.746 -3.851 1.00 34.31 O ATOM 1022 CB ARG A 64 -6.431 -18.211 -1.169 1.00 60.44 C ATOM 1023 CG ARG A 64 -7.354 -17.236 -0.427 1.00 64.20 C ATOM 1024 CD ARG A 64 -6.691 -15.892 -0.136 1.00 51.54 C ATOM 1025 NE ARG A 64 -7.608 -14.971 0.532 1.00 24.32 N ATOM 1026 CZ ARG A 64 -7.345 -14.330 1.637 1.00 53.21 C ATOM 1027 NH1 ARG A 64 -6.206 -14.484 2.237 1.00 13.00 N ATOM 1028 NH2 ARG A 64 -8.236 -13.533 2.135 1.00 51.14 N ATOM 0 H ARG A 64 -6.028 -15.830 -3.117 1.00 44.51 H new ATOM 0 HA ARG A 64 -5.620 -18.668 -3.120 1.00 34.42 H new ATOM 0 HB2 ARG A 64 -6.847 -19.215 -1.091 1.00 60.44 H new ATOM 0 HB3 ARG A 64 -5.463 -18.227 -0.668 1.00 60.44 H new ATOM 0 HG2 ARG A 64 -8.252 -17.071 -1.022 1.00 64.20 H new ATOM 0 HG3 ARG A 64 -7.672 -17.689 0.512 1.00 64.20 H new ATOM 0 HD2 ARG A 64 -5.812 -16.048 0.489 1.00 51.54 H new ATOM 0 HD3 ARG A 64 -6.344 -15.448 -1.069 1.00 51.54 H new ATOM 0 HE ARG A 64 -8.521 -14.818 0.103 1.00 24.32 H new ATOM 0 HH11 ARG A 64 -5.504 -15.112 1.845 1.00 13.00 H new ATOM 0 HH12 ARG A 64 -6.012 -13.977 3.101 1.00 13.00 H new ATOM 0 HH21 ARG A 64 -9.132 -13.412 1.664 1.00 51.14 H new ATOM 0 HH22 ARG A 64 -8.041 -13.026 2.999 1.00 51.14 H new ATOM 1042 N ILE A 65 -8.285 -18.928 -3.447 1.00 34.11 N ATOM 1043 CA ILE A 65 -9.629 -18.966 -4.045 1.00 62.21 C ATOM 1044 C ILE A 65 -10.659 -18.161 -3.228 1.00 43.25 C ATOM 1045 O ILE A 65 -10.656 -18.180 -1.995 1.00 41.55 O ATOM 1046 CB ILE A 65 -10.123 -20.434 -4.219 1.00 71.31 C ATOM 1047 CG1 ILE A 65 -9.587 -21.027 -5.532 1.00 74.21 C ATOM 1048 CG2 ILE A 65 -11.650 -20.530 -4.174 1.00 35.32 C ATOM 1049 CD1 ILE A 65 -10.124 -20.340 -6.776 1.00 41.25 C ATOM 0 H ILE A 65 -7.955 -19.829 -3.102 1.00 34.11 H new ATOM 0 HA ILE A 65 -9.544 -18.498 -5.026 1.00 62.21 H new ATOM 0 HB ILE A 65 -9.733 -21.013 -3.382 1.00 71.31 H new ATOM 0 HG12 ILE A 65 -8.499 -20.962 -5.533 1.00 74.21 H new ATOM 0 HG13 ILE A 65 -9.843 -22.086 -5.573 1.00 74.21 H new ATOM 0 HG21 ILE A 65 -11.953 -21.570 -4.299 1.00 35.32 H new ATOM 0 HG22 ILE A 65 -12.010 -20.160 -3.214 1.00 35.32 H new ATOM 0 HG23 ILE A 65 -12.076 -19.929 -4.977 1.00 35.32 H new ATOM 0 HD11 ILE A 65 -9.702 -20.812 -7.663 1.00 41.25 H new ATOM 0 HD12 ILE A 65 -11.210 -20.428 -6.800 1.00 41.25 H new ATOM 0 HD13 ILE A 65 -9.846 -19.286 -6.759 1.00 41.25 H new ATOM 1061 N LEU A 66 -11.537 -17.448 -3.938 1.00 73.15 N ATOM 1062 CA LEU A 66 -12.651 -16.727 -3.311 1.00 32.00 C ATOM 1063 C LEU A 66 -13.918 -17.598 -3.288 1.00 54.43 C ATOM 1064 O LEU A 66 -14.497 -17.846 -2.228 1.00 61.11 O ATOM 1065 CB LEU A 66 -12.938 -15.419 -4.065 1.00 11.52 C ATOM 1066 CG LEU A 66 -14.124 -14.597 -3.521 1.00 13.30 C ATOM 1067 CD1 LEU A 66 -13.826 -14.075 -2.118 1.00 32.23 C ATOM 1068 CD2 LEU A 66 -14.468 -13.449 -4.469 1.00 44.20 C ATOM 0 H LEU A 66 -11.498 -17.354 -4.953 1.00 73.15 H new ATOM 0 HA LEU A 66 -12.365 -16.492 -2.286 1.00 32.00 H new ATOM 0 HB2 LEU A 66 -12.043 -14.798 -4.037 1.00 11.52 H new ATOM 0 HB3 LEU A 66 -13.130 -15.656 -5.112 1.00 11.52 H new ATOM 0 HG LEU A 66 -14.991 -15.254 -3.458 1.00 13.30 H new ATOM 0 HD11 LEU A 66 -14.677 -13.498 -1.756 1.00 32.23 H new ATOM 0 HD12 LEU A 66 -13.646 -14.915 -1.448 1.00 32.23 H new ATOM 0 HD13 LEU A 66 -12.942 -13.438 -2.147 1.00 32.23 H new ATOM 0 HD21 LEU A 66 -15.307 -12.883 -4.065 1.00 44.20 H new ATOM 0 HD22 LEU A 66 -13.604 -12.792 -4.574 1.00 44.20 H new ATOM 0 HD23 LEU A 66 -14.738 -13.852 -5.445 1.00 44.20 H new ATOM 1080 N SER A 67 -14.337 -18.063 -4.469 1.00 21.43 N ATOM 1081 CA SER A 67 -15.565 -18.867 -4.605 1.00 70.24 C ATOM 1082 C SER A 67 -15.450 -19.902 -5.734 1.00 34.41 C ATOM 1083 O SER A 67 -14.761 -19.678 -6.733 1.00 15.24 O ATOM 1084 CB SER A 67 -16.776 -17.958 -4.871 1.00 74.30 C ATOM 1085 OG SER A 67 -17.052 -17.117 -3.760 1.00 65.34 O ATOM 0 H SER A 67 -13.846 -17.899 -5.348 1.00 21.43 H new ATOM 0 HA SER A 67 -15.704 -19.400 -3.665 1.00 70.24 H new ATOM 0 HB2 SER A 67 -16.586 -17.346 -5.753 1.00 74.30 H new ATOM 0 HB3 SER A 67 -17.650 -18.571 -5.091 1.00 74.30 H new ATOM 0 HG SER A 67 -17.826 -16.551 -3.962 1.00 65.34 H new ATOM 1091 N LEU A 68 -16.145 -21.030 -5.573 1.00 43.51 N ATOM 1092 CA LEU A 68 -16.124 -22.115 -6.567 1.00 33.10 C ATOM 1093 C LEU A 68 -17.542 -22.480 -7.037 1.00 4.41 C ATOM 1094 O LEU A 68 -18.499 -22.412 -6.265 1.00 24.13 O ATOM 1095 CB LEU A 68 -15.456 -23.366 -5.974 1.00 4.23 C ATOM 1096 CG LEU A 68 -13.999 -23.191 -5.517 1.00 30.42 C ATOM 1097 CD1 LEU A 68 -13.478 -24.475 -4.880 1.00 21.43 C ATOM 1098 CD2 LEU A 68 -13.112 -22.772 -6.686 1.00 65.11 C ATOM 0 H LEU A 68 -16.733 -21.220 -4.761 1.00 43.51 H new ATOM 0 HA LEU A 68 -15.554 -21.759 -7.425 1.00 33.10 H new ATOM 0 HB2 LEU A 68 -16.047 -23.701 -5.122 1.00 4.23 H new ATOM 0 HB3 LEU A 68 -15.491 -24.161 -6.719 1.00 4.23 H new ATOM 0 HG LEU A 68 -13.970 -22.400 -4.767 1.00 30.42 H new ATOM 0 HD11 LEU A 68 -12.445 -24.331 -4.563 1.00 21.43 H new ATOM 0 HD12 LEU A 68 -14.091 -24.727 -4.015 1.00 21.43 H new ATOM 0 HD13 LEU A 68 -13.525 -25.286 -5.606 1.00 21.43 H new ATOM 0 HD21 LEU A 68 -12.085 -22.654 -6.340 1.00 65.11 H new ATOM 0 HD22 LEU A 68 -13.147 -23.537 -7.462 1.00 65.11 H new ATOM 0 HD23 LEU A 68 -13.469 -21.826 -7.093 1.00 65.11 H new ATOM 1110 N SER A 69 -17.671 -22.864 -8.306 1.00 13.44 N ATOM 1111 CA SER A 69 -18.944 -23.369 -8.844 1.00 64.30 C ATOM 1112 C SER A 69 -18.915 -24.894 -8.967 1.00 65.24 C ATOM 1113 O SER A 69 -17.853 -25.513 -8.861 1.00 43.32 O ATOM 1114 CB SER A 69 -19.247 -22.751 -10.216 1.00 73.13 C ATOM 1115 OG SER A 69 -18.173 -22.949 -11.120 1.00 53.10 O ATOM 0 H SER A 69 -16.911 -22.837 -8.986 1.00 13.44 H new ATOM 0 HA SER A 69 -19.731 -23.082 -8.147 1.00 64.30 H new ATOM 0 HB2 SER A 69 -20.155 -23.195 -10.624 1.00 73.13 H new ATOM 0 HB3 SER A 69 -19.437 -21.684 -10.102 1.00 73.13 H new ATOM 0 HG SER A 69 -18.395 -22.546 -11.985 1.00 53.10 H new ATOM 1121 N GLU A 70 -20.089 -25.498 -9.156 1.00 61.53 N ATOM 1122 CA GLU A 70 -20.213 -26.953 -9.351 1.00 3.31 C ATOM 1123 C GLU A 70 -19.540 -27.751 -8.206 1.00 2.34 C ATOM 1124 O GLU A 70 -19.241 -28.937 -8.346 1.00 54.41 O ATOM 1125 CB GLU A 70 -19.617 -27.346 -10.718 1.00 74.23 C ATOM 1126 CG GLU A 70 -19.991 -28.751 -11.190 1.00 23.31 C ATOM 1127 CD GLU A 70 -21.493 -28.930 -11.370 1.00 23.44 C ATOM 1128 OE1 GLU A 70 -22.017 -28.563 -12.446 1.00 32.51 O ATOM 1129 OE2 GLU A 70 -22.157 -29.434 -10.438 1.00 12.21 O ATOM 0 H GLU A 70 -20.979 -25.001 -9.179 1.00 61.53 H new ATOM 0 HA GLU A 70 -21.273 -27.208 -9.333 1.00 3.31 H new ATOM 0 HB2 GLU A 70 -19.948 -26.625 -11.466 1.00 74.23 H new ATOM 0 HB3 GLU A 70 -18.531 -27.272 -10.662 1.00 74.23 H new ATOM 0 HG2 GLU A 70 -19.489 -28.958 -12.135 1.00 23.31 H new ATOM 0 HG3 GLU A 70 -19.626 -29.482 -10.468 1.00 23.31 H new ATOM 1136 N SER A 71 -19.317 -27.084 -7.070 1.00 21.23 N ATOM 1137 CA SER A 71 -18.673 -27.694 -5.892 1.00 33.21 C ATOM 1138 C SER A 71 -17.208 -28.097 -6.163 1.00 42.43 C ATOM 1139 O SER A 71 -16.637 -28.906 -5.429 1.00 4.14 O ATOM 1140 CB SER A 71 -19.479 -28.911 -5.402 1.00 3.55 C ATOM 1141 OG SER A 71 -18.942 -29.446 -4.198 1.00 15.01 O ATOM 0 H SER A 71 -19.576 -26.106 -6.936 1.00 21.23 H new ATOM 0 HA SER A 71 -18.660 -26.934 -5.110 1.00 33.21 H new ATOM 0 HB2 SER A 71 -20.517 -28.619 -5.240 1.00 3.55 H new ATOM 0 HB3 SER A 71 -19.481 -29.681 -6.174 1.00 3.55 H new ATOM 0 HG SER A 71 -17.963 -29.445 -4.248 1.00 15.01 H new ATOM 1147 N GLY A 72 -16.596 -27.531 -7.206 1.00 12.21 N ATOM 1148 CA GLY A 72 -15.189 -27.830 -7.492 1.00 62.54 C ATOM 1149 C GLY A 72 -14.649 -27.165 -8.759 1.00 23.00 C ATOM 1150 O GLY A 72 -13.715 -27.676 -9.387 1.00 41.03 O ATOM 0 H GLY A 72 -17.039 -26.878 -7.853 1.00 12.21 H new ATOM 0 HA2 GLY A 72 -14.583 -27.514 -6.643 1.00 62.54 H new ATOM 0 HA3 GLY A 72 -15.071 -28.910 -7.584 1.00 62.54 H new ATOM 1154 N ARG A 73 -15.213 -26.023 -9.132 1.00 52.00 N ATOM 1155 CA ARG A 73 -14.782 -25.291 -10.328 1.00 73.31 C ATOM 1156 C ARG A 73 -14.332 -23.857 -9.981 1.00 53.34 C ATOM 1157 O ARG A 73 -15.056 -23.109 -9.322 1.00 60.22 O ATOM 1158 CB ARG A 73 -15.926 -25.267 -11.353 1.00 40.13 C ATOM 1159 CG ARG A 73 -15.702 -24.312 -12.518 1.00 43.11 C ATOM 1160 CD ARG A 73 -14.418 -24.620 -13.274 1.00 4.03 C ATOM 1161 NE ARG A 73 -14.111 -23.571 -14.240 1.00 33.53 N ATOM 1162 CZ ARG A 73 -13.161 -23.631 -15.129 1.00 42.15 C ATOM 1163 NH1 ARG A 73 -12.373 -24.654 -15.209 1.00 75.23 N ATOM 1164 NH2 ARG A 73 -12.994 -22.642 -15.938 1.00 54.21 N ATOM 0 H ARG A 73 -15.976 -25.577 -8.623 1.00 52.00 H new ATOM 0 HA ARG A 73 -13.922 -25.805 -10.758 1.00 73.31 H new ATOM 0 HB2 ARG A 73 -16.068 -26.274 -11.746 1.00 40.13 H new ATOM 0 HB3 ARG A 73 -16.849 -24.990 -10.844 1.00 40.13 H new ATOM 0 HG2 ARG A 73 -16.548 -24.372 -13.203 1.00 43.11 H new ATOM 0 HG3 ARG A 73 -15.666 -23.288 -12.145 1.00 43.11 H new ATOM 0 HD2 ARG A 73 -13.593 -24.722 -12.569 1.00 4.03 H new ATOM 0 HD3 ARG A 73 -14.516 -25.575 -13.789 1.00 4.03 H new ATOM 0 HE ARG A 73 -14.683 -22.727 -14.218 1.00 33.53 H new ATOM 0 HH11 ARG A 73 -12.488 -25.438 -14.567 1.00 75.23 H new ATOM 0 HH12 ARG A 73 -11.637 -24.677 -15.914 1.00 75.23 H new ATOM 0 HH21 ARG A 73 -13.602 -21.825 -15.877 1.00 54.21 H new ATOM 0 HH22 ARG A 73 -12.254 -22.676 -16.639 1.00 54.21 H new ATOM 1178 N VAL A 74 -13.138 -23.482 -10.439 1.00 23.51 N ATOM 1179 CA VAL A 74 -12.564 -22.160 -10.148 1.00 52.32 C ATOM 1180 C VAL A 74 -13.351 -21.012 -10.812 1.00 22.12 C ATOM 1181 O VAL A 74 -13.524 -20.977 -12.034 1.00 51.12 O ATOM 1182 CB VAL A 74 -11.080 -22.088 -10.595 1.00 2.35 C ATOM 1183 CG1 VAL A 74 -10.492 -20.701 -10.335 1.00 73.42 C ATOM 1184 CG2 VAL A 74 -10.248 -23.172 -9.900 1.00 40.33 C ATOM 0 H VAL A 74 -12.543 -24.076 -11.017 1.00 23.51 H new ATOM 0 HA VAL A 74 -12.630 -22.032 -9.067 1.00 52.32 H new ATOM 0 HB VAL A 74 -11.046 -22.269 -11.669 1.00 2.35 H new ATOM 0 HG11 VAL A 74 -9.451 -20.681 -10.658 1.00 73.42 H new ATOM 0 HG12 VAL A 74 -11.059 -19.955 -10.892 1.00 73.42 H new ATOM 0 HG13 VAL A 74 -10.546 -20.477 -9.270 1.00 73.42 H new ATOM 0 HG21 VAL A 74 -9.211 -23.102 -10.229 1.00 40.33 H new ATOM 0 HG22 VAL A 74 -10.296 -23.031 -8.820 1.00 40.33 H new ATOM 0 HG23 VAL A 74 -10.644 -24.155 -10.156 1.00 40.33 H new ATOM 1194 N ARG A 75 -13.835 -20.079 -9.988 1.00 4.41 N ATOM 1195 CA ARG A 75 -14.489 -18.856 -10.481 1.00 34.21 C ATOM 1196 C ARG A 75 -13.614 -17.614 -10.236 1.00 65.31 C ATOM 1197 O ARG A 75 -12.962 -17.107 -11.154 1.00 62.32 O ATOM 1198 CB ARG A 75 -15.859 -18.664 -9.809 1.00 43.42 C ATOM 1199 CG ARG A 75 -16.942 -19.614 -10.314 1.00 74.21 C ATOM 1200 CD ARG A 75 -18.311 -19.289 -9.716 1.00 63.32 C ATOM 1201 NE ARG A 75 -18.740 -17.922 -10.017 1.00 45.42 N ATOM 1202 CZ ARG A 75 -19.980 -17.568 -10.243 1.00 74.14 C ATOM 1203 NH1 ARG A 75 -20.928 -18.450 -10.276 1.00 4.21 N ATOM 1204 NH2 ARG A 75 -20.266 -16.326 -10.455 1.00 24.44 N ATOM 0 H ARG A 75 -13.788 -20.145 -8.971 1.00 4.41 H new ATOM 0 HA ARG A 75 -14.630 -18.973 -11.556 1.00 34.21 H new ATOM 0 HB2 ARG A 75 -15.746 -18.799 -8.733 1.00 43.42 H new ATOM 0 HB3 ARG A 75 -16.189 -17.637 -9.968 1.00 43.42 H new ATOM 0 HG2 ARG A 75 -16.998 -19.556 -11.401 1.00 74.21 H new ATOM 0 HG3 ARG A 75 -16.671 -20.640 -10.063 1.00 74.21 H new ATOM 0 HD2 ARG A 75 -19.049 -19.992 -10.102 1.00 63.32 H new ATOM 0 HD3 ARG A 75 -18.274 -19.426 -8.635 1.00 63.32 H new ATOM 0 HE ARG A 75 -18.024 -17.196 -10.053 1.00 45.42 H new ATOM 0 HH11 ARG A 75 -20.713 -19.436 -10.125 1.00 4.21 H new ATOM 0 HH12 ARG A 75 -21.889 -18.159 -10.453 1.00 4.21 H new ATOM 0 HH21 ARG A 75 -19.526 -15.624 -10.446 1.00 24.44 H new ATOM 0 HH22 ARG A 75 -21.231 -16.048 -10.631 1.00 24.44 H new ATOM 1218 N GLU A 76 -13.609 -17.129 -8.993 1.00 70.52 N ATOM 1219 CA GLU A 76 -12.847 -15.928 -8.629 1.00 75.50 C ATOM 1220 C GLU A 76 -11.674 -16.276 -7.699 1.00 60.34 C ATOM 1221 O GLU A 76 -11.791 -17.139 -6.822 1.00 0.20 O ATOM 1222 CB GLU A 76 -13.756 -14.907 -7.930 1.00 31.14 C ATOM 1223 CG GLU A 76 -15.054 -14.589 -8.669 1.00 65.13 C ATOM 1224 CD GLU A 76 -14.857 -13.995 -10.062 1.00 50.41 C ATOM 1225 OE1 GLU A 76 -14.382 -12.846 -10.169 1.00 43.14 O ATOM 1226 OE2 GLU A 76 -15.210 -14.668 -11.053 1.00 75.31 O ATOM 0 H GLU A 76 -14.124 -17.548 -8.219 1.00 70.52 H new ATOM 0 HA GLU A 76 -12.453 -15.498 -9.550 1.00 75.50 H new ATOM 0 HB2 GLU A 76 -14.003 -15.282 -6.937 1.00 31.14 H new ATOM 0 HB3 GLU A 76 -13.198 -13.981 -7.791 1.00 31.14 H new ATOM 0 HG2 GLU A 76 -15.641 -15.503 -8.757 1.00 65.13 H new ATOM 0 HG3 GLU A 76 -15.638 -13.891 -8.069 1.00 65.13 H new ATOM 1233 N PHE A 77 -10.558 -15.582 -7.878 1.00 1.44 N ATOM 1234 CA PHE A 77 -9.353 -15.805 -7.073 1.00 12.34 C ATOM 1235 C PHE A 77 -9.041 -14.555 -6.227 1.00 73.51 C ATOM 1236 O PHE A 77 -8.739 -13.492 -6.765 1.00 3.33 O ATOM 1237 CB PHE A 77 -8.180 -16.144 -8.010 1.00 64.14 C ATOM 1238 CG PHE A 77 -7.025 -16.850 -7.347 1.00 40.12 C ATOM 1239 CD1 PHE A 77 -7.111 -18.201 -7.038 1.00 64.11 C ATOM 1240 CD2 PHE A 77 -5.851 -16.175 -7.052 1.00 31.52 C ATOM 1241 CE1 PHE A 77 -6.052 -18.860 -6.446 1.00 45.35 C ATOM 1242 CE2 PHE A 77 -4.792 -16.831 -6.458 1.00 60.33 C ATOM 1243 CZ PHE A 77 -4.890 -18.174 -6.156 1.00 44.25 C ATOM 0 H PHE A 77 -10.457 -14.850 -8.581 1.00 1.44 H new ATOM 0 HA PHE A 77 -9.513 -16.639 -6.389 1.00 12.34 H new ATOM 0 HB2 PHE A 77 -8.551 -16.769 -8.823 1.00 64.14 H new ATOM 0 HB3 PHE A 77 -7.814 -15.221 -8.459 1.00 64.14 H new ATOM 0 HD1 PHE A 77 -8.018 -18.743 -7.264 1.00 64.11 H new ATOM 0 HD2 PHE A 77 -5.764 -15.125 -7.289 1.00 31.52 H new ATOM 0 HE1 PHE A 77 -6.133 -19.911 -6.210 1.00 45.35 H new ATOM 0 HE2 PHE A 77 -3.885 -16.292 -6.229 1.00 60.33 H new ATOM 0 HZ PHE A 77 -4.060 -18.687 -5.694 1.00 44.25 H new ATOM 1253 N GLU A 78 -9.124 -14.686 -4.905 1.00 72.10 N ATOM 1254 CA GLU A 78 -8.985 -13.542 -3.990 1.00 23.34 C ATOM 1255 C GLU A 78 -7.509 -13.207 -3.684 1.00 71.34 C ATOM 1256 O GLU A 78 -6.752 -14.043 -3.181 1.00 55.11 O ATOM 1257 CB GLU A 78 -9.746 -13.827 -2.685 1.00 14.43 C ATOM 1258 CG GLU A 78 -9.701 -12.686 -1.670 1.00 34.31 C ATOM 1259 CD GLU A 78 -10.534 -12.971 -0.426 1.00 31.03 C ATOM 1260 OE1 GLU A 78 -10.229 -13.953 0.284 1.00 11.40 O ATOM 1261 OE2 GLU A 78 -11.499 -12.227 -0.157 1.00 75.32 O ATOM 0 H GLU A 78 -9.288 -15.577 -4.436 1.00 72.10 H new ATOM 0 HA GLU A 78 -9.413 -12.671 -4.487 1.00 23.34 H new ATOM 0 HB2 GLU A 78 -10.787 -14.044 -2.925 1.00 14.43 H new ATOM 0 HB3 GLU A 78 -9.332 -14.724 -2.225 1.00 14.43 H new ATOM 0 HG2 GLU A 78 -8.667 -12.507 -1.376 1.00 34.31 H new ATOM 0 HG3 GLU A 78 -10.061 -11.772 -2.141 1.00 34.31 H new ATOM 1268 N LEU A 79 -7.119 -11.972 -3.993 1.00 42.42 N ATOM 1269 CA LEU A 79 -5.762 -11.470 -3.728 1.00 42.35 C ATOM 1270 C LEU A 79 -5.771 -10.488 -2.539 1.00 44.14 C ATOM 1271 O LEU A 79 -6.436 -9.456 -2.594 1.00 74.54 O ATOM 1272 CB LEU A 79 -5.231 -10.745 -4.976 1.00 41.22 C ATOM 1273 CG LEU A 79 -5.349 -11.523 -6.300 1.00 1.22 C ATOM 1274 CD1 LEU A 79 -4.895 -10.660 -7.477 1.00 33.14 C ATOM 1275 CD2 LEU A 79 -4.547 -12.821 -6.246 1.00 21.41 C ATOM 0 H LEU A 79 -7.732 -11.286 -4.435 1.00 42.42 H new ATOM 0 HA LEU A 79 -5.119 -12.316 -3.485 1.00 42.35 H new ATOM 0 HB2 LEU A 79 -5.767 -9.801 -5.081 1.00 41.22 H new ATOM 0 HB3 LEU A 79 -4.182 -10.499 -4.812 1.00 41.22 H new ATOM 0 HG LEU A 79 -6.398 -11.779 -6.446 1.00 1.22 H new ATOM 0 HD11 LEU A 79 -4.987 -11.229 -8.402 1.00 33.14 H new ATOM 0 HD12 LEU A 79 -5.519 -9.768 -7.536 1.00 33.14 H new ATOM 0 HD13 LEU A 79 -3.855 -10.366 -7.333 1.00 33.14 H new ATOM 0 HD21 LEU A 79 -4.648 -13.351 -7.193 1.00 21.41 H new ATOM 0 HD22 LEU A 79 -3.496 -12.592 -6.068 1.00 21.41 H new ATOM 0 HD23 LEU A 79 -4.924 -13.448 -5.438 1.00 21.41 H new ATOM 1287 N VAL A 80 -5.044 -10.798 -1.467 1.00 63.13 N ATOM 1288 CA VAL A 80 -4.998 -9.905 -0.296 1.00 74.42 C ATOM 1289 C VAL A 80 -3.587 -9.327 -0.055 1.00 65.25 C ATOM 1290 O VAL A 80 -2.601 -10.059 0.035 1.00 60.23 O ATOM 1291 CB VAL A 80 -5.506 -10.615 0.989 1.00 74.41 C ATOM 1292 CG1 VAL A 80 -4.680 -11.860 1.295 1.00 24.14 C ATOM 1293 CG2 VAL A 80 -5.515 -9.653 2.180 1.00 61.23 C ATOM 0 H VAL A 80 -4.484 -11.646 -1.378 1.00 63.13 H new ATOM 0 HA VAL A 80 -5.668 -9.075 -0.523 1.00 74.42 H new ATOM 0 HB VAL A 80 -6.532 -10.935 0.809 1.00 74.41 H new ATOM 0 HG11 VAL A 80 -5.059 -12.335 2.200 1.00 24.14 H new ATOM 0 HG12 VAL A 80 -4.752 -12.558 0.461 1.00 24.14 H new ATOM 0 HG13 VAL A 80 -3.638 -11.578 1.443 1.00 24.14 H new ATOM 0 HG21 VAL A 80 -5.875 -10.175 3.067 1.00 61.23 H new ATOM 0 HG22 VAL A 80 -4.504 -9.287 2.360 1.00 61.23 H new ATOM 0 HG23 VAL A 80 -6.173 -8.811 1.963 1.00 61.23 H new ATOM 1303 N TYR A 81 -3.508 -8.001 0.053 1.00 11.44 N ATOM 1304 CA TYR A 81 -2.236 -7.298 0.278 1.00 62.32 C ATOM 1305 C TYR A 81 -2.303 -6.448 1.562 1.00 75.42 C ATOM 1306 O TYR A 81 -3.074 -5.491 1.645 1.00 42.33 O ATOM 1307 CB TYR A 81 -1.912 -6.420 -0.947 1.00 24.12 C ATOM 1308 CG TYR A 81 -0.612 -5.637 -0.846 1.00 71.13 C ATOM 1309 CD1 TYR A 81 0.609 -6.288 -0.695 1.00 64.25 C ATOM 1310 CD2 TYR A 81 -0.609 -4.247 -0.904 1.00 31.40 C ATOM 1311 CE1 TYR A 81 1.791 -5.578 -0.605 1.00 73.40 C ATOM 1312 CE2 TYR A 81 0.571 -3.532 -0.816 1.00 2.50 C ATOM 1313 CZ TYR A 81 1.767 -4.201 -0.665 1.00 25.12 C ATOM 1314 OH TYR A 81 2.941 -3.490 -0.568 1.00 22.35 O ATOM 0 H TYR A 81 -4.317 -7.383 -0.012 1.00 11.44 H new ATOM 0 HA TYR A 81 -1.440 -8.031 0.409 1.00 62.32 H new ATOM 0 HB2 TYR A 81 -1.868 -7.056 -1.831 1.00 24.12 H new ATOM 0 HB3 TYR A 81 -2.732 -5.718 -1.100 1.00 24.12 H new ATOM 0 HD1 TYR A 81 0.633 -7.367 -0.647 1.00 64.25 H new ATOM 0 HD2 TYR A 81 -1.543 -3.718 -1.020 1.00 31.40 H new ATOM 0 HE1 TYR A 81 2.729 -6.100 -0.488 1.00 73.40 H new ATOM 0 HE2 TYR A 81 0.556 -2.453 -0.865 1.00 2.50 H new ATOM 0 HH TYR A 81 2.789 -2.567 -0.860 1.00 22.35 H new ATOM 1324 N ARG A 82 -1.498 -6.811 2.563 1.00 50.20 N ATOM 1325 CA ARG A 82 -1.534 -6.143 3.874 1.00 62.22 C ATOM 1326 C ARG A 82 -0.286 -5.274 4.116 1.00 23.34 C ATOM 1327 O ARG A 82 0.825 -5.787 4.260 1.00 13.53 O ATOM 1328 CB ARG A 82 -1.659 -7.186 4.999 1.00 11.05 C ATOM 1329 CG ARG A 82 -2.886 -8.085 4.876 1.00 40.25 C ATOM 1330 CD ARG A 82 -3.066 -8.981 6.103 1.00 54.03 C ATOM 1331 NE ARG A 82 -1.940 -9.898 6.299 1.00 23.11 N ATOM 1332 CZ ARG A 82 -1.111 -9.845 7.310 1.00 53.32 C ATOM 1333 NH1 ARG A 82 -1.208 -8.909 8.200 1.00 12.54 N ATOM 1334 NH2 ARG A 82 -0.177 -10.733 7.426 1.00 35.14 N ATOM 0 H ARG A 82 -0.812 -7.563 2.495 1.00 50.20 H new ATOM 0 HA ARG A 82 -2.405 -5.488 3.877 1.00 62.22 H new ATOM 0 HB2 ARG A 82 -0.764 -7.808 5.005 1.00 11.05 H new ATOM 0 HB3 ARG A 82 -1.694 -6.669 5.958 1.00 11.05 H new ATOM 0 HG2 ARG A 82 -3.775 -7.469 4.744 1.00 40.25 H new ATOM 0 HG3 ARG A 82 -2.793 -8.705 3.985 1.00 40.25 H new ATOM 0 HD2 ARG A 82 -3.181 -8.358 6.990 1.00 54.03 H new ATOM 0 HD3 ARG A 82 -3.985 -9.557 5.996 1.00 54.03 H new ATOM 0 HE ARG A 82 -1.793 -10.627 5.600 1.00 23.11 H new ATOM 0 HH11 ARG A 82 -1.938 -8.201 8.118 1.00 12.54 H new ATOM 0 HH12 ARG A 82 -0.555 -8.880 8.983 1.00 12.54 H new ATOM 0 HH21 ARG A 82 -0.088 -11.473 6.730 1.00 35.14 H new ATOM 0 HH22 ARG A 82 0.470 -10.693 8.214 1.00 35.14 H new ATOM 1348 N VAL A 83 -0.478 -3.958 4.164 1.00 21.13 N ATOM 1349 CA VAL A 83 0.608 -3.018 4.457 1.00 1.33 C ATOM 1350 C VAL A 83 0.662 -2.684 5.956 1.00 24.32 C ATOM 1351 O VAL A 83 -0.180 -1.946 6.471 1.00 45.51 O ATOM 1352 CB VAL A 83 0.445 -1.700 3.658 1.00 64.34 C ATOM 1353 CG1 VAL A 83 1.614 -0.749 3.925 1.00 45.22 C ATOM 1354 CG2 VAL A 83 0.302 -1.986 2.165 1.00 33.20 C ATOM 0 H VAL A 83 -1.382 -3.513 4.003 1.00 21.13 H new ATOM 0 HA VAL A 83 1.536 -3.506 4.159 1.00 1.33 H new ATOM 0 HB VAL A 83 -0.468 -1.210 3.997 1.00 64.34 H new ATOM 0 HG11 VAL A 83 1.475 0.168 3.352 1.00 45.22 H new ATOM 0 HG12 VAL A 83 1.654 -0.511 4.988 1.00 45.22 H new ATOM 0 HG13 VAL A 83 2.547 -1.226 3.625 1.00 45.22 H new ATOM 0 HG21 VAL A 83 0.189 -1.047 1.624 1.00 33.20 H new ATOM 0 HG22 VAL A 83 1.191 -2.506 1.807 1.00 33.20 H new ATOM 0 HG23 VAL A 83 -0.576 -2.610 1.996 1.00 33.20 H new ATOM 1364 N ALA A 84 1.645 -3.241 6.658 1.00 31.24 N ATOM 1365 CA ALA A 84 1.846 -2.926 8.075 1.00 41.35 C ATOM 1366 C ALA A 84 2.856 -1.782 8.240 1.00 63.11 C ATOM 1367 O ALA A 84 4.067 -1.984 8.109 1.00 13.42 O ATOM 1368 CB ALA A 84 2.307 -4.165 8.838 1.00 33.31 C ATOM 0 H ALA A 84 2.313 -3.909 6.274 1.00 31.24 H new ATOM 0 HA ALA A 84 0.893 -2.600 8.491 1.00 41.35 H new ATOM 0 HB1 ALA A 84 2.451 -3.913 9.889 1.00 33.31 H new ATOM 0 HB2 ALA A 84 1.552 -4.947 8.753 1.00 33.31 H new ATOM 0 HB3 ALA A 84 3.247 -4.522 8.418 1.00 33.31 H new ATOM 1374 N ALA A 85 2.354 -0.577 8.503 1.00 44.01 N ATOM 1375 CA ALA A 85 3.206 0.609 8.647 1.00 22.24 C ATOM 1376 C ALA A 85 2.818 1.436 9.881 1.00 35.41 C ATOM 1377 O ALA A 85 1.665 1.432 10.308 1.00 12.34 O ATOM 1378 CB ALA A 85 3.124 1.467 7.388 1.00 70.44 C ATOM 0 H ALA A 85 1.358 -0.393 8.622 1.00 44.01 H new ATOM 0 HA ALA A 85 4.233 0.270 8.785 1.00 22.24 H new ATOM 0 HB1 ALA A 85 3.759 2.345 7.504 1.00 70.44 H new ATOM 0 HB2 ALA A 85 3.461 0.886 6.529 1.00 70.44 H new ATOM 0 HB3 ALA A 85 2.093 1.784 7.230 1.00 70.44 H new ATOM 1384 N ARG A 86 3.791 2.142 10.452 1.00 64.20 N ATOM 1385 CA ARG A 86 3.561 2.977 11.638 1.00 54.23 C ATOM 1386 C ARG A 86 4.064 4.415 11.416 1.00 35.55 C ATOM 1387 O ARG A 86 5.062 4.636 10.726 1.00 73.15 O ATOM 1388 CB ARG A 86 4.259 2.359 12.860 1.00 21.42 C ATOM 1389 CG ARG A 86 3.757 0.960 13.212 1.00 40.34 C ATOM 1390 CD ARG A 86 4.495 0.378 14.412 1.00 3.03 C ATOM 1391 NE ARG A 86 4.333 1.200 15.609 1.00 72.43 N ATOM 1392 CZ ARG A 86 4.920 0.957 16.751 1.00 33.23 C ATOM 1393 NH1 ARG A 86 5.694 -0.075 16.889 1.00 44.32 N ATOM 1394 NH2 ARG A 86 4.727 1.751 17.756 1.00 31.15 N ATOM 0 H ARG A 86 4.753 2.155 10.113 1.00 64.20 H new ATOM 0 HA ARG A 86 2.487 3.019 11.818 1.00 54.23 H new ATOM 0 HB2 ARG A 86 5.331 2.313 12.670 1.00 21.42 H new ATOM 0 HB3 ARG A 86 4.115 3.014 13.719 1.00 21.42 H new ATOM 0 HG2 ARG A 86 2.689 1.001 13.427 1.00 40.34 H new ATOM 0 HG3 ARG A 86 3.884 0.301 12.353 1.00 40.34 H new ATOM 0 HD2 ARG A 86 4.126 -0.628 14.611 1.00 3.03 H new ATOM 0 HD3 ARG A 86 5.555 0.287 14.176 1.00 3.03 H new ATOM 0 HE ARG A 86 3.723 2.015 15.550 1.00 72.43 H new ATOM 0 HH11 ARG A 86 5.849 -0.705 16.102 1.00 44.32 H new ATOM 0 HH12 ARG A 86 6.148 -0.256 17.784 1.00 44.32 H new ATOM 0 HH21 ARG A 86 4.118 2.563 17.655 1.00 31.15 H new ATOM 0 HH22 ARG A 86 5.184 1.564 18.649 1.00 31.15 H new ATOM 1408 N LEU A 87 3.370 5.387 12.009 1.00 53.25 N ATOM 1409 CA LEU A 87 3.742 6.802 11.878 1.00 50.24 C ATOM 1410 C LEU A 87 4.453 7.278 13.158 1.00 64.35 C ATOM 1411 O LEU A 87 3.823 7.508 14.194 1.00 44.24 O ATOM 1412 CB LEU A 87 2.484 7.640 11.583 1.00 14.13 C ATOM 1413 CG LEU A 87 2.710 8.937 10.780 1.00 22.04 C ATOM 1414 CD1 LEU A 87 1.384 9.460 10.236 1.00 63.30 C ATOM 1415 CD2 LEU A 87 3.398 10.007 11.627 1.00 13.33 C ATOM 0 H LEU A 87 2.545 5.223 12.586 1.00 53.25 H new ATOM 0 HA LEU A 87 4.436 6.927 11.047 1.00 50.24 H new ATOM 0 HB2 LEU A 87 1.776 7.017 11.037 1.00 14.13 H new ATOM 0 HB3 LEU A 87 2.014 7.900 12.531 1.00 14.13 H new ATOM 0 HG LEU A 87 3.368 8.702 9.944 1.00 22.04 H new ATOM 0 HD11 LEU A 87 1.558 10.376 9.671 1.00 63.30 H new ATOM 0 HD12 LEU A 87 0.938 8.710 9.583 1.00 63.30 H new ATOM 0 HD13 LEU A 87 0.707 9.668 11.065 1.00 63.30 H new ATOM 0 HD21 LEU A 87 3.542 10.907 11.030 1.00 13.33 H new ATOM 0 HD22 LEU A 87 2.778 10.241 12.492 1.00 13.33 H new ATOM 0 HD23 LEU A 87 4.366 9.637 11.964 1.00 13.33 H new ATOM 1427 N LEU A 88 5.771 7.416 13.073 1.00 13.12 N ATOM 1428 CA LEU A 88 6.618 7.639 14.249 1.00 2.35 C ATOM 1429 C LEU A 88 7.197 9.063 14.322 1.00 23.10 C ATOM 1430 O LEU A 88 7.003 9.891 13.430 1.00 74.04 O ATOM 1431 CB LEU A 88 7.751 6.604 14.235 1.00 15.12 C ATOM 1432 CG LEU A 88 7.296 5.144 14.412 1.00 14.41 C ATOM 1433 CD1 LEU A 88 8.331 4.179 13.851 1.00 63.12 C ATOM 1434 CD2 LEU A 88 7.031 4.843 15.886 1.00 62.45 C ATOM 0 H LEU A 88 6.285 7.377 12.193 1.00 13.12 H new ATOM 0 HA LEU A 88 5.995 7.524 15.136 1.00 2.35 H new ATOM 0 HB2 LEU A 88 8.290 6.690 13.292 1.00 15.12 H new ATOM 0 HB3 LEU A 88 8.457 6.848 15.029 1.00 15.12 H new ATOM 0 HG LEU A 88 6.369 5.008 13.855 1.00 14.41 H new ATOM 0 HD11 LEU A 88 7.985 3.154 13.989 1.00 63.12 H new ATOM 0 HD12 LEU A 88 8.472 4.375 12.788 1.00 63.12 H new ATOM 0 HD13 LEU A 88 9.277 4.316 14.374 1.00 63.12 H new ATOM 0 HD21 LEU A 88 6.710 3.807 15.994 1.00 62.45 H new ATOM 0 HD22 LEU A 88 7.944 5.002 16.460 1.00 62.45 H new ATOM 0 HD23 LEU A 88 6.249 5.505 16.258 1.00 62.45 H new ATOM 1446 N ASP A 89 7.915 9.322 15.412 1.00 44.52 N ATOM 1447 CA ASP A 89 8.524 10.631 15.684 1.00 22.04 C ATOM 1448 C ASP A 89 9.897 10.783 14.988 1.00 53.51 C ATOM 1449 O ASP A 89 10.442 9.815 14.462 1.00 60.32 O ATOM 1450 CB ASP A 89 8.667 10.784 17.209 1.00 5.12 C ATOM 1451 CG ASP A 89 9.391 12.049 17.626 1.00 63.33 C ATOM 1452 OD1 ASP A 89 8.790 13.135 17.570 1.00 64.34 O ATOM 1453 OD2 ASP A 89 10.581 11.959 17.996 1.00 13.10 O ATOM 0 H ASP A 89 8.094 8.629 16.138 1.00 44.52 H new ATOM 0 HA ASP A 89 7.883 11.416 15.282 1.00 22.04 H new ATOM 0 HB2 ASP A 89 7.675 10.777 17.661 1.00 5.12 H new ATOM 0 HB3 ASP A 89 9.203 9.921 17.604 1.00 5.12 H new ATOM 1458 N ALA A 90 10.451 12.003 15.003 1.00 63.35 N ATOM 1459 CA ALA A 90 11.776 12.278 14.422 1.00 43.42 C ATOM 1460 C ALA A 90 12.870 11.364 15.010 1.00 54.23 C ATOM 1461 O ALA A 90 13.764 10.914 14.297 1.00 13.03 O ATOM 1462 CB ALA A 90 12.144 13.743 14.626 1.00 14.43 C ATOM 0 H ALA A 90 10.000 12.821 15.413 1.00 63.35 H new ATOM 0 HA ALA A 90 11.716 12.065 13.355 1.00 43.42 H new ATOM 0 HB1 ALA A 90 13.125 13.935 14.193 1.00 14.43 H new ATOM 0 HB2 ALA A 90 11.402 14.376 14.139 1.00 14.43 H new ATOM 0 HB3 ALA A 90 12.168 13.967 15.692 1.00 14.43 H new ATOM 1468 N HIS A 91 12.795 11.092 16.316 1.00 61.12 N ATOM 1469 CA HIS A 91 13.729 10.158 16.972 1.00 54.34 C ATOM 1470 C HIS A 91 13.191 8.715 16.948 1.00 72.31 C ATOM 1471 O HIS A 91 13.673 7.852 17.686 1.00 72.25 O ATOM 1472 CB HIS A 91 13.996 10.590 18.423 1.00 23.41 C ATOM 1473 CG HIS A 91 14.851 11.817 18.555 1.00 23.31 C ATOM 1474 ND1 HIS A 91 14.718 12.723 19.588 1.00 45.20 N ATOM 1475 CD2 HIS A 91 15.877 12.273 17.795 1.00 43.23 C ATOM 1476 CE1 HIS A 91 15.617 13.676 19.456 1.00 23.43 C ATOM 1477 NE2 HIS A 91 16.333 13.427 18.381 1.00 52.43 N ATOM 0 H HIS A 91 12.102 11.501 16.942 1.00 61.12 H new ATOM 0 HA HIS A 91 14.664 10.184 16.413 1.00 54.34 H new ATOM 0 HB2 HIS A 91 13.042 10.772 18.917 1.00 23.41 H new ATOM 0 HB3 HIS A 91 14.477 9.767 18.952 1.00 23.41 H new ATOM 0 HD2 HIS A 91 16.263 11.814 16.897 1.00 43.23 H new ATOM 0 HE1 HIS A 91 15.745 14.519 20.118 1.00 23.43 H new ATOM 0 HE2 HIS A 91 17.104 14.000 18.038 1.00 52.43 H new ATOM 1486 N ASN A 92 12.200 8.465 16.090 1.00 61.20 N ATOM 1487 CA ASN A 92 11.572 7.144 15.963 1.00 32.43 C ATOM 1488 C ASN A 92 10.960 6.683 17.304 1.00 44.11 C ATOM 1489 O ASN A 92 11.262 5.600 17.806 1.00 45.43 O ATOM 1490 CB ASN A 92 12.590 6.118 15.432 1.00 61.23 C ATOM 1491 CG ASN A 92 11.943 4.849 14.903 1.00 13.14 C ATOM 1492 OD1 ASN A 92 10.917 4.402 15.401 1.00 43.42 O ATOM 1493 ND2 ASN A 92 12.536 4.257 13.886 1.00 51.44 N ATOM 0 H ASN A 92 11.809 9.169 15.464 1.00 61.20 H new ATOM 0 HA ASN A 92 10.756 7.221 15.244 1.00 32.43 H new ATOM 0 HB2 ASN A 92 13.177 6.577 14.637 1.00 61.23 H new ATOM 0 HB3 ASN A 92 13.284 5.858 16.231 1.00 61.23 H new ATOM 0 HD21 ASN A 92 12.141 3.403 13.492 1.00 51.44 H new ATOM 0 HD22 ASN A 92 13.390 4.653 13.492 1.00 51.44 H new ATOM 1500 N ALA A 93 10.118 7.534 17.894 1.00 4.50 N ATOM 1501 CA ALA A 93 9.396 7.186 19.129 1.00 1.14 C ATOM 1502 C ALA A 93 7.923 6.856 18.841 1.00 70.25 C ATOM 1503 O ALA A 93 7.523 5.693 18.869 1.00 22.21 O ATOM 1504 CB ALA A 93 9.502 8.321 20.143 1.00 51.21 C ATOM 0 H ALA A 93 9.916 8.469 17.540 1.00 4.50 H new ATOM 0 HA ALA A 93 9.860 6.294 19.550 1.00 1.14 H new ATOM 0 HB1 ALA A 93 8.963 8.049 21.051 1.00 51.21 H new ATOM 0 HB2 ALA A 93 10.551 8.498 20.382 1.00 51.21 H new ATOM 0 HB3 ALA A 93 9.068 9.227 19.721 1.00 51.21 H new ATOM 1510 N GLU A 94 7.122 7.890 18.571 1.00 24.24 N ATOM 1511 CA GLU A 94 5.707 7.717 18.206 1.00 71.31 C ATOM 1512 C GLU A 94 5.094 9.051 17.755 1.00 72.31 C ATOM 1513 O GLU A 94 5.614 10.119 18.082 1.00 63.05 O ATOM 1514 CB GLU A 94 4.904 7.147 19.385 1.00 61.11 C ATOM 1515 CG GLU A 94 4.855 8.059 20.606 1.00 50.13 C ATOM 1516 CD GLU A 94 4.075 7.449 21.758 1.00 24.22 C ATOM 1517 OE1 GLU A 94 2.832 7.570 21.775 1.00 71.14 O ATOM 1518 OE2 GLU A 94 4.703 6.838 22.647 1.00 11.31 O ATOM 0 H GLU A 94 7.428 8.863 18.598 1.00 24.24 H new ATOM 0 HA GLU A 94 5.661 7.011 17.377 1.00 71.31 H new ATOM 0 HB2 GLU A 94 3.885 6.947 19.053 1.00 61.11 H new ATOM 0 HB3 GLU A 94 5.338 6.190 19.677 1.00 61.11 H new ATOM 0 HG2 GLU A 94 5.872 8.276 20.934 1.00 50.13 H new ATOM 0 HG3 GLU A 94 4.401 9.010 20.327 1.00 50.13 H new ATOM 1525 N LEU A 95 3.993 8.989 17.010 1.00 72.55 N ATOM 1526 CA LEU A 95 3.342 10.205 16.499 1.00 72.35 C ATOM 1527 C LEU A 95 1.842 9.959 16.252 1.00 25.13 C ATOM 1528 O LEU A 95 0.984 10.695 16.758 1.00 64.40 O ATOM 1529 CB LEU A 95 4.038 10.659 15.198 1.00 11.31 C ATOM 1530 CG LEU A 95 3.979 12.167 14.869 1.00 33.24 C ATOM 1531 CD1 LEU A 95 2.546 12.645 14.645 1.00 11.33 C ATOM 1532 CD2 LEU A 95 4.658 12.982 15.969 1.00 54.12 C ATOM 0 H LEU A 95 3.531 8.119 16.745 1.00 72.55 H new ATOM 0 HA LEU A 95 3.434 10.994 17.246 1.00 72.35 H new ATOM 0 HB2 LEU A 95 5.086 10.363 15.252 1.00 11.31 H new ATOM 0 HB3 LEU A 95 3.595 10.112 14.366 1.00 11.31 H new ATOM 0 HG LEU A 95 4.520 12.321 13.936 1.00 33.24 H new ATOM 0 HD11 LEU A 95 2.549 13.711 14.416 1.00 11.33 H new ATOM 0 HD12 LEU A 95 2.106 12.097 13.812 1.00 11.33 H new ATOM 0 HD13 LEU A 95 1.959 12.469 15.546 1.00 11.33 H new ATOM 0 HD21 LEU A 95 4.607 14.042 15.721 1.00 54.12 H new ATOM 0 HD22 LEU A 95 4.150 12.807 16.918 1.00 54.12 H new ATOM 0 HD23 LEU A 95 5.702 12.679 16.055 1.00 54.12 H new ATOM 1544 N ALA A 96 1.532 8.925 15.473 1.00 1.00 N ATOM 1545 CA ALA A 96 0.146 8.596 15.134 1.00 23.43 C ATOM 1546 C ALA A 96 -0.046 7.084 14.935 1.00 24.14 C ATOM 1547 O ALA A 96 0.717 6.440 14.213 1.00 64.30 O ATOM 1548 CB ALA A 96 -0.274 9.352 13.880 1.00 41.32 C ATOM 0 H ALA A 96 2.223 8.297 15.063 1.00 1.00 H new ATOM 0 HA ALA A 96 -0.486 8.900 15.969 1.00 23.43 H new ATOM 0 HB1 ALA A 96 -1.306 9.103 13.633 1.00 41.32 H new ATOM 0 HB2 ALA A 96 -0.192 10.424 14.057 1.00 41.32 H new ATOM 0 HB3 ALA A 96 0.375 9.071 13.051 1.00 41.32 H new ATOM 1554 N SER A 97 -1.075 6.526 15.571 1.00 70.11 N ATOM 1555 CA SER A 97 -1.357 5.086 15.467 1.00 34.32 C ATOM 1556 C SER A 97 -1.865 4.719 14.061 1.00 13.04 C ATOM 1557 O SER A 97 -3.071 4.680 13.809 1.00 54.22 O ATOM 1558 CB SER A 97 -2.378 4.655 16.532 1.00 31.30 C ATOM 1559 OG SER A 97 -2.582 3.247 16.521 1.00 11.41 O ATOM 0 H SER A 97 -1.727 7.042 16.162 1.00 70.11 H new ATOM 0 HA SER A 97 -0.424 4.551 15.641 1.00 34.32 H new ATOM 0 HB2 SER A 97 -2.030 4.965 17.517 1.00 31.30 H new ATOM 0 HB3 SER A 97 -3.326 5.162 16.354 1.00 31.30 H new ATOM 0 HG SER A 97 -3.235 3.006 17.211 1.00 11.41 H new ATOM 1565 N LEU A 98 -0.928 4.486 13.146 1.00 64.31 N ATOM 1566 CA LEU A 98 -1.248 4.132 11.756 1.00 34.11 C ATOM 1567 C LEU A 98 -1.742 2.673 11.662 1.00 42.21 C ATOM 1568 O LEU A 98 -1.189 1.780 12.309 1.00 0.12 O ATOM 1569 CB LEU A 98 -0.002 4.363 10.882 1.00 15.11 C ATOM 1570 CG LEU A 98 -0.205 4.270 9.357 1.00 32.12 C ATOM 1571 CD1 LEU A 98 -1.343 5.181 8.904 1.00 44.30 C ATOM 1572 CD2 LEU A 98 1.088 4.636 8.624 1.00 2.13 C ATOM 0 H LEU A 98 0.072 4.536 13.341 1.00 64.31 H new ATOM 0 HA LEU A 98 -2.057 4.766 11.393 1.00 34.11 H new ATOM 0 HB2 LEU A 98 0.399 5.350 11.113 1.00 15.11 H new ATOM 0 HB3 LEU A 98 0.757 3.635 11.170 1.00 15.11 H new ATOM 0 HG LEU A 98 -0.470 3.242 9.112 1.00 32.12 H new ATOM 0 HD11 LEU A 98 -1.467 5.098 7.824 1.00 44.30 H new ATOM 0 HD12 LEU A 98 -2.267 4.883 9.400 1.00 44.30 H new ATOM 0 HD13 LEU A 98 -1.108 6.213 9.164 1.00 44.30 H new ATOM 0 HD21 LEU A 98 0.929 4.566 7.548 1.00 2.13 H new ATOM 0 HD22 LEU A 98 1.377 5.655 8.882 1.00 2.13 H new ATOM 0 HD23 LEU A 98 1.881 3.948 8.919 1.00 2.13 H new ATOM 1584 N GLN A 99 -2.789 2.440 10.866 1.00 33.24 N ATOM 1585 CA GLN A 99 -3.438 1.118 10.806 1.00 44.42 C ATOM 1586 C GLN A 99 -2.822 0.213 9.726 1.00 54.34 C ATOM 1587 O GLN A 99 -2.315 0.689 8.709 1.00 13.11 O ATOM 1588 CB GLN A 99 -4.945 1.273 10.535 1.00 42.12 C ATOM 1589 CG GLN A 99 -5.716 -0.047 10.575 1.00 52.25 C ATOM 1590 CD GLN A 99 -7.167 0.088 10.134 1.00 44.44 C ATOM 1591 OE1 GLN A 99 -7.791 1.129 10.295 1.00 32.45 O ATOM 1592 NE2 GLN A 99 -7.716 -0.974 9.576 1.00 25.04 N ATOM 0 H GLN A 99 -3.207 3.142 10.256 1.00 33.24 H new ATOM 0 HA GLN A 99 -3.278 0.645 11.775 1.00 44.42 H new ATOM 0 HB2 GLN A 99 -5.370 1.954 11.273 1.00 42.12 H new ATOM 0 HB3 GLN A 99 -5.084 1.735 9.558 1.00 42.12 H new ATOM 0 HG2 GLN A 99 -5.215 -0.772 9.934 1.00 52.25 H new ATOM 0 HG3 GLN A 99 -5.688 -0.446 11.589 1.00 52.25 H new ATOM 0 HE21 GLN A 99 -7.170 -1.827 9.456 1.00 25.04 H new ATOM 0 HE22 GLN A 99 -8.687 -0.942 9.265 1.00 25.04 H new ATOM 1601 N GLU A 100 -2.882 -1.102 9.959 1.00 12.05 N ATOM 1602 CA GLU A 100 -2.475 -2.092 8.956 1.00 4.42 C ATOM 1603 C GLU A 100 -3.462 -2.098 7.778 1.00 53.43 C ATOM 1604 O GLU A 100 -4.618 -2.506 7.920 1.00 22.22 O ATOM 1605 CB GLU A 100 -2.417 -3.496 9.578 1.00 2.31 C ATOM 1606 CG GLU A 100 -1.890 -4.568 8.625 1.00 74.01 C ATOM 1607 CD GLU A 100 -2.151 -5.982 9.121 1.00 40.04 C ATOM 1608 OE1 GLU A 100 -1.583 -6.372 10.162 1.00 23.10 O ATOM 1609 OE2 GLU A 100 -2.934 -6.711 8.476 1.00 2.31 O ATOM 0 H GLU A 100 -3.210 -1.507 10.836 1.00 12.05 H new ATOM 0 HA GLU A 100 -1.484 -1.819 8.594 1.00 4.42 H new ATOM 0 HB2 GLU A 100 -1.782 -3.466 10.464 1.00 2.31 H new ATOM 0 HB3 GLU A 100 -3.416 -3.778 9.911 1.00 2.31 H new ATOM 0 HG2 GLU A 100 -2.356 -4.439 7.648 1.00 74.01 H new ATOM 0 HG3 GLU A 100 -0.818 -4.429 8.487 1.00 74.01 H new ATOM 1616 N ILE A 101 -3.007 -1.645 6.620 1.00 33.22 N ATOM 1617 CA ILE A 101 -3.866 -1.538 5.440 1.00 12.21 C ATOM 1618 C ILE A 101 -4.000 -2.883 4.709 1.00 61.03 C ATOM 1619 O ILE A 101 -3.155 -3.255 3.897 1.00 5.51 O ATOM 1620 CB ILE A 101 -3.326 -0.463 4.470 1.00 14.31 C ATOM 1621 CG1 ILE A 101 -3.189 0.877 5.208 1.00 43.11 C ATOM 1622 CG2 ILE A 101 -4.236 -0.325 3.248 1.00 40.43 C ATOM 1623 CD1 ILE A 101 -2.564 1.972 4.377 1.00 14.12 C ATOM 0 H ILE A 101 -2.045 -1.343 6.467 1.00 33.22 H new ATOM 0 HA ILE A 101 -4.857 -1.243 5.787 1.00 12.21 H new ATOM 0 HB ILE A 101 -2.343 -0.770 4.114 1.00 14.31 H new ATOM 0 HG12 ILE A 101 -4.176 1.202 5.537 1.00 43.11 H new ATOM 0 HG13 ILE A 101 -2.588 0.727 6.105 1.00 43.11 H new ATOM 0 HG21 ILE A 101 -3.835 0.437 2.580 1.00 40.43 H new ATOM 0 HG22 ILE A 101 -4.286 -1.278 2.722 1.00 40.43 H new ATOM 0 HG23 ILE A 101 -5.236 -0.036 3.570 1.00 40.43 H new ATOM 0 HD11 ILE A 101 -2.502 2.886 4.967 1.00 14.12 H new ATOM 0 HD12 ILE A 101 -1.563 1.669 4.070 1.00 14.12 H new ATOM 0 HD13 ILE A 101 -3.176 2.152 3.493 1.00 14.12 H new ATOM 1635 N ARG A 102 -5.064 -3.615 5.022 1.00 33.14 N ATOM 1636 CA ARG A 102 -5.334 -4.912 4.391 1.00 63.22 C ATOM 1637 C ARG A 102 -6.353 -4.781 3.239 1.00 72.00 C ATOM 1638 O ARG A 102 -7.555 -4.625 3.463 1.00 34.24 O ATOM 1639 CB ARG A 102 -5.806 -5.922 5.454 1.00 33.10 C ATOM 1640 CG ARG A 102 -6.917 -5.406 6.367 1.00 21.53 C ATOM 1641 CD ARG A 102 -7.203 -6.368 7.519 1.00 14.31 C ATOM 1642 NE ARG A 102 -6.025 -6.581 8.364 1.00 2.30 N ATOM 1643 CZ ARG A 102 -6.058 -7.134 9.547 1.00 64.42 C ATOM 1644 NH1 ARG A 102 -7.173 -7.534 10.063 1.00 14.31 N ATOM 1645 NH2 ARG A 102 -4.965 -7.283 10.214 1.00 62.50 N ATOM 0 H ARG A 102 -5.760 -3.334 5.713 1.00 33.14 H new ATOM 0 HA ARG A 102 -4.409 -5.282 3.949 1.00 63.22 H new ATOM 0 HB2 ARG A 102 -6.156 -6.824 4.951 1.00 33.10 H new ATOM 0 HB3 ARG A 102 -4.953 -6.210 6.068 1.00 33.10 H new ATOM 0 HG2 ARG A 102 -6.634 -4.433 6.769 1.00 21.53 H new ATOM 0 HG3 ARG A 102 -7.826 -5.258 5.784 1.00 21.53 H new ATOM 0 HD2 ARG A 102 -8.018 -5.974 8.126 1.00 14.31 H new ATOM 0 HD3 ARG A 102 -7.538 -7.324 7.118 1.00 14.31 H new ATOM 0 HE ARG A 102 -5.120 -6.278 8.005 1.00 2.30 H new ATOM 0 HH11 ARG A 102 -8.044 -7.420 9.545 1.00 14.31 H new ATOM 0 HH12 ARG A 102 -7.182 -7.964 10.988 1.00 14.31 H new ATOM 0 HH21 ARG A 102 -4.079 -6.970 9.818 1.00 62.50 H new ATOM 0 HH22 ARG A 102 -4.986 -7.714 11.138 1.00 62.50 H new ATOM 1659 N LEU A 103 -5.849 -4.824 2.005 1.00 63.12 N ATOM 1660 CA LEU A 103 -6.684 -4.692 0.802 1.00 50.32 C ATOM 1661 C LEU A 103 -6.946 -6.052 0.137 1.00 61.24 C ATOM 1662 O LEU A 103 -6.150 -6.982 0.266 1.00 43.43 O ATOM 1663 CB LEU A 103 -5.998 -3.765 -0.210 1.00 23.43 C ATOM 1664 CG LEU A 103 -5.707 -2.341 0.286 1.00 53.44 C ATOM 1665 CD1 LEU A 103 -4.935 -1.554 -0.768 1.00 21.04 C ATOM 1666 CD2 LEU A 103 -7.003 -1.621 0.653 1.00 4.33 C ATOM 0 H LEU A 103 -4.856 -4.950 1.808 1.00 63.12 H new ATOM 0 HA LEU A 103 -7.641 -4.272 1.113 1.00 50.32 H new ATOM 0 HB2 LEU A 103 -5.058 -4.223 -0.516 1.00 23.43 H new ATOM 0 HB3 LEU A 103 -6.625 -3.700 -1.099 1.00 23.43 H new ATOM 0 HG LEU A 103 -5.091 -2.411 1.182 1.00 53.44 H new ATOM 0 HD11 LEU A 103 -4.738 -0.548 -0.399 1.00 21.04 H new ATOM 0 HD12 LEU A 103 -3.990 -2.055 -0.977 1.00 21.04 H new ATOM 0 HD13 LEU A 103 -5.525 -1.496 -1.683 1.00 21.04 H new ATOM 0 HD21 LEU A 103 -6.774 -0.614 1.002 1.00 4.33 H new ATOM 0 HD22 LEU A 103 -7.648 -1.563 -0.224 1.00 4.33 H new ATOM 0 HD23 LEU A 103 -7.514 -2.171 1.443 1.00 4.33 H new ATOM 1678 N THR A 104 -8.061 -6.155 -0.588 1.00 22.53 N ATOM 1679 CA THR A 104 -8.409 -7.377 -1.331 1.00 13.32 C ATOM 1680 C THR A 104 -8.813 -7.060 -2.782 1.00 53.25 C ATOM 1681 O THR A 104 -9.465 -6.048 -3.054 1.00 55.22 O ATOM 1682 CB THR A 104 -9.569 -8.153 -0.653 1.00 60.22 C ATOM 1683 OG1 THR A 104 -10.718 -7.301 -0.509 1.00 33.32 O ATOM 1684 CG2 THR A 104 -9.159 -8.688 0.714 1.00 70.02 C ATOM 0 H THR A 104 -8.745 -5.404 -0.679 1.00 22.53 H new ATOM 0 HA THR A 104 -7.513 -7.998 -1.330 1.00 13.32 H new ATOM 0 HB THR A 104 -9.817 -9.000 -1.293 1.00 60.22 H new ATOM 0 HG1 THR A 104 -11.445 -7.801 -0.082 1.00 33.32 H new ATOM 0 HG21 THR A 104 -9.996 -9.226 1.160 1.00 70.02 H new ATOM 0 HG22 THR A 104 -8.312 -9.364 0.601 1.00 70.02 H new ATOM 0 HG23 THR A 104 -8.876 -7.857 1.360 1.00 70.02 H new ATOM 1692 N ARG A 105 -8.418 -7.926 -3.714 1.00 23.03 N ATOM 1693 CA ARG A 105 -8.792 -7.778 -5.127 1.00 22.23 C ATOM 1694 C ARG A 105 -9.321 -9.111 -5.676 1.00 42.24 C ATOM 1695 O ARG A 105 -8.897 -10.179 -5.239 1.00 54.00 O ATOM 1696 CB ARG A 105 -7.587 -7.311 -5.963 1.00 3.54 C ATOM 1697 CG ARG A 105 -7.970 -6.624 -7.276 1.00 12.04 C ATOM 1698 CD ARG A 105 -8.193 -5.119 -7.098 1.00 1.43 C ATOM 1699 NE ARG A 105 -9.115 -4.805 -6.002 1.00 33.11 N ATOM 1700 CZ ARG A 105 -9.182 -3.644 -5.407 1.00 62.23 C ATOM 1701 NH1 ARG A 105 -8.455 -2.651 -5.812 1.00 61.34 N ATOM 1702 NH2 ARG A 105 -10.000 -3.474 -4.419 1.00 51.11 N ATOM 0 H ARG A 105 -7.837 -8.741 -3.519 1.00 23.03 H new ATOM 0 HA ARG A 105 -9.577 -7.025 -5.196 1.00 22.23 H new ATOM 0 HB2 ARG A 105 -6.988 -6.623 -5.366 1.00 3.54 H new ATOM 0 HB3 ARG A 105 -6.957 -8.172 -6.186 1.00 3.54 H new ATOM 0 HG2 ARG A 105 -7.184 -6.788 -8.013 1.00 12.04 H new ATOM 0 HG3 ARG A 105 -8.878 -7.080 -7.671 1.00 12.04 H new ATOM 0 HD2 ARG A 105 -7.235 -4.634 -6.910 1.00 1.43 H new ATOM 0 HD3 ARG A 105 -8.584 -4.702 -8.026 1.00 1.43 H new ATOM 0 HE ARG A 105 -9.745 -5.541 -5.683 1.00 33.11 H new ATOM 0 HH11 ARG A 105 -7.822 -2.771 -6.603 1.00 61.34 H new ATOM 0 HH12 ARG A 105 -8.515 -1.749 -5.340 1.00 61.34 H new ATOM 0 HH21 ARG A 105 -10.590 -4.245 -4.107 1.00 51.11 H new ATOM 0 HH22 ARG A 105 -10.055 -2.569 -3.952 1.00 51.11 H new ATOM 1716 N ILE A 106 -10.245 -9.051 -6.630 1.00 45.43 N ATOM 1717 CA ILE A 106 -10.868 -10.263 -7.174 1.00 33.21 C ATOM 1718 C ILE A 106 -10.346 -10.582 -8.590 1.00 62.33 C ATOM 1719 O ILE A 106 -10.526 -9.793 -9.519 1.00 65.12 O ATOM 1720 CB ILE A 106 -12.411 -10.121 -7.213 1.00 33.42 C ATOM 1721 CG1 ILE A 106 -12.942 -9.570 -5.875 1.00 1.21 C ATOM 1722 CG2 ILE A 106 -13.064 -11.462 -7.536 1.00 34.42 C ATOM 1723 CD1 ILE A 106 -12.550 -10.391 -4.661 1.00 34.44 C ATOM 0 H ILE A 106 -10.581 -8.182 -7.044 1.00 45.43 H new ATOM 0 HA ILE A 106 -10.599 -11.086 -6.512 1.00 33.21 H new ATOM 0 HB ILE A 106 -12.669 -9.413 -8.001 1.00 33.42 H new ATOM 0 HG12 ILE A 106 -12.576 -8.552 -5.744 1.00 1.21 H new ATOM 0 HG13 ILE A 106 -14.029 -9.513 -5.925 1.00 1.21 H new ATOM 0 HG21 ILE A 106 -14.147 -11.343 -7.559 1.00 34.42 H new ATOM 0 HG22 ILE A 106 -12.716 -11.811 -8.508 1.00 34.42 H new ATOM 0 HG23 ILE A 106 -12.795 -12.191 -6.772 1.00 34.42 H new ATOM 0 HD11 ILE A 106 -12.965 -9.933 -3.763 1.00 34.44 H new ATOM 0 HD12 ILE A 106 -12.940 -11.404 -4.765 1.00 34.44 H new ATOM 0 HD13 ILE A 106 -11.464 -10.427 -4.581 1.00 34.44 H new ATOM 1735 N LEU A 107 -9.700 -11.741 -8.735 1.00 44.21 N ATOM 1736 CA LEU A 107 -9.133 -12.187 -10.020 1.00 30.53 C ATOM 1737 C LEU A 107 -10.085 -13.177 -10.736 1.00 54.52 C ATOM 1738 O LEU A 107 -10.269 -14.304 -10.280 1.00 3.13 O ATOM 1739 CB LEU A 107 -7.754 -12.844 -9.759 1.00 5.21 C ATOM 1740 CG LEU A 107 -6.879 -13.194 -10.988 1.00 62.04 C ATOM 1741 CD1 LEU A 107 -7.396 -14.422 -11.736 1.00 50.24 C ATOM 1742 CD2 LEU A 107 -6.769 -12.001 -11.928 1.00 11.44 C ATOM 0 H LEU A 107 -9.553 -12.399 -7.970 1.00 44.21 H new ATOM 0 HA LEU A 107 -9.009 -11.325 -10.675 1.00 30.53 H new ATOM 0 HB2 LEU A 107 -7.180 -12.175 -9.118 1.00 5.21 H new ATOM 0 HB3 LEU A 107 -7.921 -13.761 -9.194 1.00 5.21 H new ATOM 0 HG LEU A 107 -5.885 -13.440 -10.613 1.00 62.04 H new ATOM 0 HD11 LEU A 107 -6.749 -14.627 -12.589 1.00 50.24 H new ATOM 0 HD12 LEU A 107 -7.397 -15.282 -11.066 1.00 50.24 H new ATOM 0 HD13 LEU A 107 -8.411 -14.234 -12.087 1.00 50.24 H new ATOM 0 HD21 LEU A 107 -6.150 -12.268 -12.784 1.00 11.44 H new ATOM 0 HD22 LEU A 107 -7.763 -11.717 -12.273 1.00 11.44 H new ATOM 0 HD23 LEU A 107 -6.315 -11.162 -11.400 1.00 11.44 H new ATOM 1754 N PRO A 108 -10.702 -12.770 -11.865 1.00 2.14 N ATOM 1755 CA PRO A 108 -11.579 -13.659 -12.656 1.00 54.42 C ATOM 1756 C PRO A 108 -10.791 -14.714 -13.465 1.00 10.24 C ATOM 1757 O PRO A 108 -9.829 -14.387 -14.167 1.00 15.03 O ATOM 1758 CB PRO A 108 -12.305 -12.685 -13.592 1.00 24.31 C ATOM 1759 CG PRO A 108 -11.364 -11.537 -13.753 1.00 64.21 C ATOM 1760 CD PRO A 108 -10.614 -11.415 -12.449 1.00 4.31 C ATOM 0 HA PRO A 108 -12.245 -14.245 -12.023 1.00 54.42 H new ATOM 0 HB2 PRO A 108 -12.528 -13.151 -14.552 1.00 24.31 H new ATOM 0 HB3 PRO A 108 -13.255 -12.361 -13.166 1.00 24.31 H new ATOM 0 HG2 PRO A 108 -10.677 -11.711 -14.581 1.00 64.21 H new ATOM 0 HG3 PRO A 108 -11.907 -10.618 -13.976 1.00 64.21 H new ATOM 0 HD2 PRO A 108 -9.579 -11.115 -12.609 1.00 4.31 H new ATOM 0 HD3 PRO A 108 -11.065 -10.668 -11.796 1.00 4.31 H new ATOM 1768 N PHE A 109 -11.205 -15.980 -13.367 1.00 35.45 N ATOM 1769 CA PHE A 109 -10.503 -17.086 -14.041 1.00 32.23 C ATOM 1770 C PHE A 109 -11.157 -17.472 -15.383 1.00 42.12 C ATOM 1771 O PHE A 109 -12.363 -17.310 -15.578 1.00 32.53 O ATOM 1772 CB PHE A 109 -10.454 -18.310 -13.111 1.00 43.54 C ATOM 1773 CG PHE A 109 -9.766 -19.516 -13.713 1.00 41.12 C ATOM 1774 CD1 PHE A 109 -8.387 -19.539 -13.875 1.00 73.00 C ATOM 1775 CD2 PHE A 109 -10.500 -20.625 -14.117 1.00 50.32 C ATOM 1776 CE1 PHE A 109 -7.757 -20.638 -14.429 1.00 3.45 C ATOM 1777 CE2 PHE A 109 -9.875 -21.724 -14.672 1.00 31.51 C ATOM 1778 CZ PHE A 109 -8.502 -21.732 -14.827 1.00 53.21 C ATOM 0 H PHE A 109 -12.022 -16.269 -12.829 1.00 35.45 H new ATOM 0 HA PHE A 109 -9.493 -16.743 -14.264 1.00 32.23 H new ATOM 0 HB2 PHE A 109 -9.940 -18.033 -12.191 1.00 43.54 H new ATOM 0 HB3 PHE A 109 -11.472 -18.585 -12.836 1.00 43.54 H new ATOM 0 HD1 PHE A 109 -7.799 -18.688 -13.564 1.00 73.00 H new ATOM 0 HD2 PHE A 109 -11.573 -20.627 -13.995 1.00 50.32 H new ATOM 0 HE1 PHE A 109 -6.684 -20.642 -14.551 1.00 3.45 H new ATOM 0 HE2 PHE A 109 -10.459 -22.577 -14.985 1.00 31.51 H new ATOM 0 HZ PHE A 109 -8.012 -22.592 -15.259 1.00 53.21 H new ATOM 1788 N LEU A 110 -10.337 -17.983 -16.302 1.00 22.31 N ATOM 1789 CA LEU A 110 -10.806 -18.507 -17.591 1.00 42.02 C ATOM 1790 C LEU A 110 -9.778 -19.508 -18.151 1.00 60.15 C ATOM 1791 O LEU A 110 -8.572 -19.308 -18.001 1.00 63.15 O ATOM 1792 CB LEU A 110 -11.040 -17.361 -18.589 1.00 53.54 C ATOM 1793 CG LEU A 110 -11.639 -17.779 -19.944 1.00 12.43 C ATOM 1794 CD1 LEU A 110 -12.995 -18.456 -19.751 1.00 21.50 C ATOM 1795 CD2 LEU A 110 -11.764 -16.574 -20.874 1.00 70.14 C ATOM 0 H LEU A 110 -9.327 -18.047 -16.176 1.00 22.31 H new ATOM 0 HA LEU A 110 -11.755 -19.021 -17.438 1.00 42.02 H new ATOM 0 HB2 LEU A 110 -11.703 -16.630 -18.128 1.00 53.54 H new ATOM 0 HB3 LEU A 110 -10.089 -16.860 -18.770 1.00 53.54 H new ATOM 0 HG LEU A 110 -10.963 -18.498 -20.407 1.00 12.43 H new ATOM 0 HD11 LEU A 110 -13.400 -18.743 -20.722 1.00 21.50 H new ATOM 0 HD12 LEU A 110 -12.873 -19.345 -19.132 1.00 21.50 H new ATOM 0 HD13 LEU A 110 -13.681 -17.764 -19.262 1.00 21.50 H new ATOM 0 HD21 LEU A 110 -12.189 -16.892 -21.826 1.00 70.14 H new ATOM 0 HD22 LEU A 110 -12.414 -15.828 -20.417 1.00 70.14 H new ATOM 0 HD23 LEU A 110 -10.778 -16.141 -21.044 1.00 70.14 H new ATOM 1807 N ASP A 111 -10.253 -20.580 -18.790 1.00 61.22 N ATOM 1808 CA ASP A 111 -9.367 -21.660 -19.255 1.00 15.33 C ATOM 1809 C ASP A 111 -8.572 -21.265 -20.514 1.00 10.45 C ATOM 1810 O ASP A 111 -7.349 -21.124 -20.470 1.00 21.44 O ATOM 1811 CB ASP A 111 -10.174 -22.930 -19.543 1.00 32.41 C ATOM 1812 CG ASP A 111 -11.145 -23.264 -18.430 1.00 32.31 C ATOM 1813 OD1 ASP A 111 -10.758 -23.965 -17.470 1.00 74.21 O ATOM 1814 OD2 ASP A 111 -12.306 -22.813 -18.507 1.00 10.32 O ATOM 0 H ASP A 111 -11.241 -20.727 -18.998 1.00 61.22 H new ATOM 0 HA ASP A 111 -8.654 -21.847 -18.452 1.00 15.33 H new ATOM 0 HB2 ASP A 111 -10.724 -22.803 -20.475 1.00 32.41 H new ATOM 0 HB3 ASP A 111 -9.490 -23.766 -19.688 1.00 32.41 H new ATOM 1819 N ALA A 112 -9.271 -21.095 -21.638 1.00 11.11 N ATOM 1820 CA ALA A 112 -8.614 -20.843 -22.927 1.00 14.54 C ATOM 1821 C ALA A 112 -8.166 -19.377 -23.081 1.00 24.44 C ATOM 1822 O ALA A 112 -8.700 -18.636 -23.910 1.00 54.23 O ATOM 1823 CB ALA A 112 -9.533 -21.255 -24.077 1.00 42.21 C ATOM 0 H ALA A 112 -10.289 -21.127 -21.684 1.00 11.11 H new ATOM 0 HA ALA A 112 -7.710 -21.452 -22.957 1.00 14.54 H new ATOM 0 HB1 ALA A 112 -9.035 -21.063 -25.027 1.00 42.21 H new ATOM 0 HB2 ALA A 112 -9.764 -22.317 -23.996 1.00 42.21 H new ATOM 0 HB3 ALA A 112 -10.457 -20.679 -24.029 1.00 42.21 H new ATOM 1829 N GLN A 113 -7.190 -18.971 -22.267 1.00 24.11 N ATOM 1830 CA GLN A 113 -6.608 -17.622 -22.328 1.00 34.24 C ATOM 1831 C GLN A 113 -5.226 -17.583 -21.660 1.00 71.25 C ATOM 1832 O GLN A 113 -5.013 -18.200 -20.613 1.00 12.51 O ATOM 1833 CB GLN A 113 -7.528 -16.579 -21.655 1.00 64.42 C ATOM 1834 CG GLN A 113 -8.550 -15.941 -22.593 1.00 63.23 C ATOM 1835 CD GLN A 113 -7.902 -15.241 -23.776 1.00 22.24 C ATOM 1836 OE1 GLN A 113 -6.776 -14.753 -23.689 1.00 40.12 O ATOM 1837 NE2 GLN A 113 -8.606 -15.176 -24.888 1.00 43.23 N ATOM 0 H GLN A 113 -6.779 -19.565 -21.547 1.00 24.11 H new ATOM 0 HA GLN A 113 -6.502 -17.371 -23.383 1.00 34.24 H new ATOM 0 HB2 GLN A 113 -8.058 -17.058 -20.831 1.00 64.42 H new ATOM 0 HB3 GLN A 113 -6.910 -15.793 -21.222 1.00 64.42 H new ATOM 0 HG2 GLN A 113 -9.231 -16.710 -22.959 1.00 63.23 H new ATOM 0 HG3 GLN A 113 -9.151 -15.223 -22.035 1.00 63.23 H new ATOM 0 HE21 GLN A 113 -9.537 -15.591 -24.927 1.00 43.23 H new ATOM 0 HE22 GLN A 113 -8.220 -14.711 -25.710 1.00 43.23 H new ATOM 1846 N GLU A 114 -4.293 -16.852 -22.272 1.00 74.31 N ATOM 1847 CA GLU A 114 -2.959 -16.645 -21.692 1.00 55.42 C ATOM 1848 C GLU A 114 -2.531 -15.166 -21.795 1.00 31.51 C ATOM 1849 O GLU A 114 -2.128 -14.563 -20.799 1.00 31.43 O ATOM 1850 CB GLU A 114 -1.915 -17.582 -22.347 1.00 21.31 C ATOM 1851 CG GLU A 114 -1.638 -17.332 -23.833 1.00 73.52 C ATOM 1852 CD GLU A 114 -2.863 -17.507 -24.719 1.00 62.32 C ATOM 1853 OE1 GLU A 114 -3.184 -18.655 -25.081 1.00 62.10 O ATOM 1854 OE2 GLU A 114 -3.510 -16.492 -25.054 1.00 35.45 O ATOM 0 H GLU A 114 -4.434 -16.391 -23.171 1.00 74.31 H new ATOM 0 HA GLU A 114 -3.011 -16.899 -20.633 1.00 55.42 H new ATOM 0 HB2 GLU A 114 -0.977 -17.488 -21.801 1.00 21.31 H new ATOM 0 HB3 GLU A 114 -2.252 -18.612 -22.227 1.00 21.31 H new ATOM 0 HG2 GLU A 114 -1.252 -16.320 -23.957 1.00 73.52 H new ATOM 0 HG3 GLU A 114 -0.857 -18.014 -24.168 1.00 73.52 H new ATOM 1861 N LEU A 115 -2.650 -14.575 -22.990 1.00 2.33 N ATOM 1862 CA LEU A 115 -2.338 -13.148 -23.189 1.00 34.21 C ATOM 1863 C LEU A 115 -3.264 -12.245 -22.355 1.00 3.23 C ATOM 1864 O LEU A 115 -2.836 -11.220 -21.821 1.00 50.31 O ATOM 1865 CB LEU A 115 -2.440 -12.765 -24.682 1.00 70.44 C ATOM 1866 CG LEU A 115 -1.157 -12.948 -25.517 1.00 21.14 C ATOM 1867 CD1 LEU A 115 -0.050 -12.031 -25.010 1.00 12.42 C ATOM 1868 CD2 LEU A 115 -0.694 -14.400 -25.508 1.00 64.42 C ATOM 0 H LEU A 115 -2.959 -15.058 -23.834 1.00 2.33 H new ATOM 0 HA LEU A 115 -1.313 -12.993 -22.852 1.00 34.21 H new ATOM 0 HB2 LEU A 115 -3.233 -13.360 -25.136 1.00 70.44 H new ATOM 0 HB3 LEU A 115 -2.747 -11.721 -24.749 1.00 70.44 H new ATOM 0 HG LEU A 115 -1.388 -12.676 -26.547 1.00 21.14 H new ATOM 0 HD11 LEU A 115 0.847 -12.176 -25.613 1.00 12.42 H new ATOM 0 HD12 LEU A 115 -0.374 -10.993 -25.085 1.00 12.42 H new ATOM 0 HD13 LEU A 115 0.170 -12.268 -23.969 1.00 12.42 H new ATOM 0 HD21 LEU A 115 0.213 -14.497 -26.105 1.00 64.42 H new ATOM 0 HD22 LEU A 115 -0.488 -14.710 -24.483 1.00 64.42 H new ATOM 0 HD23 LEU A 115 -1.475 -15.034 -25.929 1.00 64.42 H new ATOM 1880 N ALA A 116 -4.537 -12.620 -22.258 1.00 23.14 N ATOM 1881 CA ALA A 116 -5.496 -11.878 -21.434 1.00 1.15 C ATOM 1882 C ALA A 116 -5.106 -11.928 -19.948 1.00 45.42 C ATOM 1883 O ALA A 116 -5.108 -10.908 -19.259 1.00 43.20 O ATOM 1884 CB ALA A 116 -6.904 -12.427 -21.638 1.00 72.11 C ATOM 0 H ALA A 116 -4.930 -13.430 -22.737 1.00 23.14 H new ATOM 0 HA ALA A 116 -5.478 -10.835 -21.749 1.00 1.15 H new ATOM 0 HB1 ALA A 116 -7.606 -11.867 -21.020 1.00 72.11 H new ATOM 0 HB2 ALA A 116 -7.185 -12.328 -22.687 1.00 72.11 H new ATOM 0 HB3 ALA A 116 -6.929 -13.479 -21.353 1.00 72.11 H new ATOM 1890 N LYS A 117 -4.739 -13.120 -19.473 1.00 31.13 N ATOM 1891 CA LYS A 117 -4.375 -13.319 -18.063 1.00 31.01 C ATOM 1892 C LYS A 117 -3.073 -12.577 -17.710 1.00 30.32 C ATOM 1893 O LYS A 117 -2.945 -12.004 -16.627 1.00 30.53 O ATOM 1894 CB LYS A 117 -4.225 -14.819 -17.758 1.00 22.02 C ATOM 1895 CG LYS A 117 -5.411 -15.667 -18.222 1.00 24.31 C ATOM 1896 CD LYS A 117 -6.741 -15.226 -17.598 1.00 45.34 C ATOM 1897 CE LYS A 117 -6.892 -15.673 -16.144 1.00 3.44 C ATOM 1898 NZ LYS A 117 -5.933 -15.000 -15.228 1.00 42.14 N ATOM 0 H LYS A 117 -4.685 -13.965 -20.042 1.00 31.13 H new ATOM 0 HA LYS A 117 -5.177 -12.907 -17.450 1.00 31.01 H new ATOM 0 HB2 LYS A 117 -3.318 -15.188 -18.236 1.00 22.02 H new ATOM 0 HB3 LYS A 117 -4.095 -14.950 -16.684 1.00 22.02 H new ATOM 0 HG2 LYS A 117 -5.489 -15.611 -19.308 1.00 24.31 H new ATOM 0 HG3 LYS A 117 -5.226 -16.711 -17.969 1.00 24.31 H new ATOM 0 HD2 LYS A 117 -6.818 -14.140 -17.649 1.00 45.34 H new ATOM 0 HD3 LYS A 117 -7.565 -15.632 -18.185 1.00 45.34 H new ATOM 0 HE2 LYS A 117 -7.909 -15.469 -15.810 1.00 3.44 H new ATOM 0 HE3 LYS A 117 -6.748 -16.752 -16.084 1.00 3.44 H new ATOM 0 HZ1 LYS A 117 -6.357 -14.916 -14.282 1.00 42.14 H new ATOM 0 HZ2 LYS A 117 -5.059 -15.561 -15.167 1.00 42.14 H new ATOM 0 HZ3 LYS A 117 -5.711 -14.052 -15.593 1.00 42.14 H new ATOM 1912 N ALA A 118 -2.115 -12.584 -18.639 1.00 24.03 N ATOM 1913 CA ALA A 118 -0.837 -11.882 -18.453 1.00 24.43 C ATOM 1914 C ALA A 118 -1.045 -10.401 -18.091 1.00 64.43 C ATOM 1915 O ALA A 118 -0.271 -9.819 -17.324 1.00 12.42 O ATOM 1916 CB ALA A 118 0.013 -12.002 -19.714 1.00 60.13 C ATOM 0 H ALA A 118 -2.198 -13.069 -19.532 1.00 24.03 H new ATOM 0 HA ALA A 118 -0.317 -12.354 -17.619 1.00 24.43 H new ATOM 0 HB1 ALA A 118 0.958 -11.479 -19.567 1.00 60.13 H new ATOM 0 HB2 ALA A 118 0.209 -13.054 -19.922 1.00 60.13 H new ATOM 0 HB3 ALA A 118 -0.520 -11.559 -20.555 1.00 60.13 H new ATOM 1922 N ALA A 119 -2.094 -9.801 -18.654 1.00 23.34 N ATOM 1923 CA ALA A 119 -2.452 -8.410 -18.357 1.00 52.02 C ATOM 1924 C ALA A 119 -3.405 -8.320 -17.154 1.00 14.35 C ATOM 1925 O ALA A 119 -3.319 -7.392 -16.350 1.00 24.02 O ATOM 1926 CB ALA A 119 -3.087 -7.760 -19.584 1.00 50.15 C ATOM 0 H ALA A 119 -2.715 -10.258 -19.322 1.00 23.34 H new ATOM 0 HA ALA A 119 -1.538 -7.874 -18.099 1.00 52.02 H new ATOM 0 HB1 ALA A 119 -3.349 -6.727 -19.354 1.00 50.15 H new ATOM 0 HB2 ALA A 119 -2.379 -7.778 -20.413 1.00 50.15 H new ATOM 0 HB3 ALA A 119 -3.986 -8.309 -19.862 1.00 50.15 H new ATOM 1932 N GLU A 120 -4.308 -9.297 -17.039 1.00 31.34 N ATOM 1933 CA GLU A 120 -5.302 -9.338 -15.953 1.00 0.23 C ATOM 1934 C GLU A 120 -4.630 -9.291 -14.566 1.00 53.40 C ATOM 1935 O GLU A 120 -4.814 -8.336 -13.805 1.00 62.33 O ATOM 1936 CB GLU A 120 -6.151 -10.614 -16.077 1.00 0.20 C ATOM 1937 CG GLU A 120 -7.342 -10.680 -15.121 1.00 42.30 C ATOM 1938 CD GLU A 120 -8.546 -9.890 -15.611 1.00 71.43 C ATOM 1939 OE1 GLU A 120 -9.372 -10.467 -16.357 1.00 61.41 O ATOM 1940 OE2 GLU A 120 -8.680 -8.700 -15.254 1.00 10.12 O ATOM 0 H GLU A 120 -4.374 -10.080 -17.690 1.00 31.34 H new ATOM 0 HA GLU A 120 -5.939 -8.458 -16.046 1.00 0.23 H new ATOM 0 HB2 GLU A 120 -6.518 -10.693 -17.100 1.00 0.20 H new ATOM 0 HB3 GLU A 120 -5.512 -11.479 -15.901 1.00 0.20 H new ATOM 0 HG2 GLU A 120 -7.631 -11.722 -14.982 1.00 42.30 H new ATOM 0 HG3 GLU A 120 -7.038 -10.300 -14.145 1.00 42.30 H new ATOM 1947 N GLU A 121 -3.839 -10.324 -14.254 1.00 3.12 N ATOM 1948 CA GLU A 121 -3.114 -10.398 -12.976 1.00 2.32 C ATOM 1949 C GLU A 121 -2.212 -9.168 -12.753 1.00 51.00 C ATOM 1950 O GLU A 121 -2.042 -8.709 -11.622 1.00 43.31 O ATOM 1951 CB GLU A 121 -2.270 -11.688 -12.893 1.00 52.24 C ATOM 1952 CG GLU A 121 -3.074 -12.970 -12.640 1.00 30.43 C ATOM 1953 CD GLU A 121 -3.751 -13.540 -13.882 1.00 73.12 C ATOM 1954 OE1 GLU A 121 -4.718 -12.935 -14.375 1.00 44.22 O ATOM 1955 OE2 GLU A 121 -3.329 -14.619 -14.360 1.00 32.22 O ATOM 0 H GLU A 121 -3.683 -11.123 -14.869 1.00 3.12 H new ATOM 0 HA GLU A 121 -3.866 -10.413 -12.187 1.00 2.32 H new ATOM 0 HB2 GLU A 121 -1.715 -11.802 -13.824 1.00 52.24 H new ATOM 0 HB3 GLU A 121 -1.535 -11.574 -12.096 1.00 52.24 H new ATOM 0 HG2 GLU A 121 -2.409 -13.726 -12.223 1.00 30.43 H new ATOM 0 HG3 GLU A 121 -3.835 -12.765 -11.887 1.00 30.43 H new ATOM 1962 N GLU A 122 -1.633 -8.644 -13.834 1.00 3.03 N ATOM 1963 CA GLU A 122 -0.790 -7.441 -13.760 1.00 1.23 C ATOM 1964 C GLU A 122 -1.587 -6.220 -13.270 1.00 63.04 C ATOM 1965 O GLU A 122 -1.266 -5.622 -12.240 1.00 41.10 O ATOM 1966 CB GLU A 122 -0.178 -7.127 -15.135 1.00 30.31 C ATOM 1967 CG GLU A 122 0.569 -5.794 -15.178 1.00 33.55 C ATOM 1968 CD GLU A 122 1.011 -5.394 -16.578 1.00 21.35 C ATOM 1969 OE1 GLU A 122 0.140 -5.138 -17.433 1.00 52.11 O ATOM 1970 OE2 GLU A 122 2.232 -5.314 -16.825 1.00 11.44 O ATOM 0 H GLU A 122 -1.730 -9.031 -14.773 1.00 3.03 H new ATOM 0 HA GLU A 122 0.004 -7.647 -13.043 1.00 1.23 H new ATOM 0 HB2 GLU A 122 0.508 -7.928 -15.410 1.00 30.31 H new ATOM 0 HB3 GLU A 122 -0.971 -7.115 -15.883 1.00 30.31 H new ATOM 0 HG2 GLU A 122 -0.073 -5.013 -14.771 1.00 33.55 H new ATOM 0 HG3 GLU A 122 1.445 -5.856 -14.532 1.00 33.55 H new ATOM 1977 N MET A 123 -2.633 -5.867 -14.016 1.00 72.22 N ATOM 1978 CA MET A 123 -3.430 -4.670 -13.736 1.00 32.33 C ATOM 1979 C MET A 123 -4.022 -4.685 -12.319 1.00 12.05 C ATOM 1980 O MET A 123 -3.975 -3.679 -11.614 1.00 31.04 O ATOM 1981 CB MET A 123 -4.546 -4.520 -14.778 1.00 1.41 C ATOM 1982 CG MET A 123 -4.034 -4.323 -16.198 1.00 62.21 C ATOM 1983 SD MET A 123 -5.365 -4.062 -17.385 1.00 13.15 S ATOM 1984 CE MET A 123 -4.430 -3.879 -18.902 1.00 3.34 C ATOM 0 H MET A 123 -2.952 -6.398 -14.827 1.00 72.22 H new ATOM 0 HA MET A 123 -2.760 -3.812 -13.798 1.00 32.33 H new ATOM 0 HB2 MET A 123 -5.180 -5.407 -14.749 1.00 1.41 H new ATOM 0 HB3 MET A 123 -5.173 -3.671 -14.506 1.00 1.41 H new ATOM 0 HG2 MET A 123 -3.359 -3.468 -16.221 1.00 62.21 H new ATOM 0 HG3 MET A 123 -3.453 -5.196 -16.495 1.00 62.21 H new ATOM 0 HE1 MET A 123 -4.770 -2.991 -19.434 1.00 3.34 H new ATOM 0 HE2 MET A 123 -3.371 -3.778 -18.666 1.00 3.34 H new ATOM 0 HE3 MET A 123 -4.580 -4.757 -19.530 1.00 3.34 H new ATOM 1994 N LEU A 124 -4.568 -5.825 -11.903 1.00 12.34 N ATOM 1995 CA LEU A 124 -5.172 -5.941 -10.571 1.00 34.41 C ATOM 1996 C LEU A 124 -4.130 -5.787 -9.448 1.00 1.41 C ATOM 1997 O LEU A 124 -4.410 -5.174 -8.417 1.00 22.45 O ATOM 1998 CB LEU A 124 -5.913 -7.276 -10.435 1.00 64.21 C ATOM 1999 CG LEU A 124 -7.137 -7.435 -11.354 1.00 25.03 C ATOM 2000 CD1 LEU A 124 -7.828 -8.770 -11.111 1.00 21.31 C ATOM 2001 CD2 LEU A 124 -8.117 -6.279 -11.163 1.00 45.24 C ATOM 0 H LEU A 124 -4.607 -6.678 -12.461 1.00 12.34 H new ATOM 0 HA LEU A 124 -5.886 -5.124 -10.465 1.00 34.41 H new ATOM 0 HB2 LEU A 124 -5.214 -8.086 -10.643 1.00 64.21 H new ATOM 0 HB3 LEU A 124 -6.236 -7.392 -9.400 1.00 64.21 H new ATOM 0 HG LEU A 124 -6.786 -7.416 -12.386 1.00 25.03 H new ATOM 0 HD11 LEU A 124 -8.690 -8.859 -11.772 1.00 21.31 H new ATOM 0 HD12 LEU A 124 -7.130 -9.583 -11.313 1.00 21.31 H new ATOM 0 HD13 LEU A 124 -8.159 -8.825 -10.074 1.00 21.31 H new ATOM 0 HD21 LEU A 124 -8.973 -6.415 -11.824 1.00 45.24 H new ATOM 0 HD22 LEU A 124 -8.457 -6.258 -10.128 1.00 45.24 H new ATOM 0 HD23 LEU A 124 -7.621 -5.338 -11.401 1.00 45.24 H new ATOM 2013 N TYR A 125 -2.928 -6.333 -9.652 1.00 11.11 N ATOM 2014 CA TYR A 125 -1.852 -6.217 -8.656 1.00 73.45 C ATOM 2015 C TYR A 125 -1.400 -4.756 -8.485 1.00 5.15 C ATOM 2016 O TYR A 125 -1.371 -4.227 -7.371 1.00 54.45 O ATOM 2017 CB TYR A 125 -0.657 -7.096 -9.056 1.00 44.34 C ATOM 2018 CG TYR A 125 0.536 -6.991 -8.112 1.00 2.34 C ATOM 2019 CD1 TYR A 125 0.569 -7.701 -6.915 1.00 13.33 C ATOM 2020 CD2 TYR A 125 1.626 -6.181 -8.421 1.00 74.03 C ATOM 2021 CE1 TYR A 125 1.650 -7.605 -6.056 1.00 51.10 C ATOM 2022 CE2 TYR A 125 2.708 -6.082 -7.567 1.00 45.42 C ATOM 2023 CZ TYR A 125 2.716 -6.795 -6.388 1.00 25.10 C ATOM 2024 OH TYR A 125 3.796 -6.696 -5.538 1.00 53.44 O ATOM 0 H TYR A 125 -2.674 -6.856 -10.490 1.00 11.11 H new ATOM 0 HA TYR A 125 -2.245 -6.562 -7.700 1.00 73.45 H new ATOM 0 HB2 TYR A 125 -0.982 -8.135 -9.099 1.00 44.34 H new ATOM 0 HB3 TYR A 125 -0.337 -6.820 -10.061 1.00 44.34 H new ATOM 0 HD1 TYR A 125 -0.263 -8.337 -6.652 1.00 13.33 H new ATOM 0 HD2 TYR A 125 1.626 -5.620 -9.344 1.00 74.03 H new ATOM 0 HE1 TYR A 125 1.659 -8.161 -5.130 1.00 51.10 H new ATOM 0 HE2 TYR A 125 3.544 -5.448 -7.823 1.00 45.42 H new ATOM 0 HH TYR A 125 4.460 -6.085 -5.922 1.00 53.44 H new ATOM 2034 N LYS A 126 -1.050 -4.105 -9.595 1.00 70.21 N ATOM 2035 CA LYS A 126 -0.601 -2.705 -9.560 1.00 2.15 C ATOM 2036 C LYS A 126 -1.727 -1.762 -9.099 1.00 41.42 C ATOM 2037 O LYS A 126 -1.466 -0.702 -8.528 1.00 53.33 O ATOM 2038 CB LYS A 126 -0.063 -2.282 -10.936 1.00 0.14 C ATOM 2039 CG LYS A 126 -1.090 -2.373 -12.062 1.00 32.20 C ATOM 2040 CD LYS A 126 -0.450 -2.227 -13.442 1.00 64.00 C ATOM 2041 CE LYS A 126 0.221 -0.870 -13.630 1.00 60.22 C ATOM 2042 NZ LYS A 126 0.804 -0.726 -14.991 1.00 14.54 N ATOM 0 H LYS A 126 -1.067 -4.519 -10.527 1.00 70.21 H new ATOM 0 HA LYS A 126 0.206 -2.630 -8.831 1.00 2.15 H new ATOM 0 HB2 LYS A 126 0.300 -1.256 -10.872 1.00 0.14 H new ATOM 0 HB3 LYS A 126 0.793 -2.908 -11.188 1.00 0.14 H new ATOM 0 HG2 LYS A 126 -1.607 -3.331 -12.003 1.00 32.20 H new ATOM 0 HG3 LYS A 126 -1.842 -1.596 -11.929 1.00 32.20 H new ATOM 0 HD2 LYS A 126 0.288 -3.017 -13.583 1.00 64.00 H new ATOM 0 HD3 LYS A 126 -1.212 -2.362 -14.209 1.00 64.00 H new ATOM 0 HE2 LYS A 126 -0.508 -0.077 -13.461 1.00 60.22 H new ATOM 0 HE3 LYS A 126 1.005 -0.746 -12.883 1.00 60.22 H new ATOM 0 HZ1 LYS A 126 1.251 0.209 -15.080 1.00 14.54 H new ATOM 0 HZ2 LYS A 126 1.518 -1.467 -15.143 1.00 14.54 H new ATOM 0 HZ3 LYS A 126 0.051 -0.819 -15.703 1.00 14.54 H new ATOM 2056 N ASP A 127 -2.974 -2.163 -9.346 1.00 21.30 N ATOM 2057 CA ASP A 127 -4.142 -1.430 -8.851 1.00 71.11 C ATOM 2058 C ASP A 127 -4.173 -1.426 -7.310 1.00 51.21 C ATOM 2059 O ASP A 127 -4.407 -0.389 -6.682 1.00 52.25 O ATOM 2060 CB ASP A 127 -5.419 -2.059 -9.424 1.00 64.50 C ATOM 2061 CG ASP A 127 -6.689 -1.392 -8.929 1.00 30.22 C ATOM 2062 OD1 ASP A 127 -6.923 -0.213 -9.269 1.00 64.43 O ATOM 2063 OD2 ASP A 127 -7.471 -2.049 -8.214 1.00 64.43 O ATOM 0 H ASP A 127 -3.203 -2.996 -9.889 1.00 21.30 H new ATOM 0 HA ASP A 127 -4.079 -0.393 -9.181 1.00 71.11 H new ATOM 0 HB2 ASP A 127 -5.387 -2.003 -10.512 1.00 64.50 H new ATOM 0 HB3 ASP A 127 -5.445 -3.116 -9.160 1.00 64.50 H new ATOM 2068 N MET A 128 -3.916 -2.588 -6.706 1.00 33.14 N ATOM 2069 CA MET A 128 -3.832 -2.700 -5.243 1.00 60.14 C ATOM 2070 C MET A 128 -2.639 -1.898 -4.701 1.00 64.22 C ATOM 2071 O MET A 128 -2.738 -1.238 -3.665 1.00 71.53 O ATOM 2072 CB MET A 128 -3.699 -4.169 -4.826 1.00 22.31 C ATOM 2073 CG MET A 128 -4.833 -5.052 -5.315 1.00 22.12 C ATOM 2074 SD MET A 128 -4.645 -6.769 -4.795 1.00 64.15 S ATOM 2075 CE MET A 128 -4.826 -6.613 -3.019 1.00 30.05 C ATOM 0 H MET A 128 -3.762 -3.465 -7.204 1.00 33.14 H new ATOM 0 HA MET A 128 -4.750 -2.290 -4.821 1.00 60.14 H new ATOM 0 HB2 MET A 128 -2.756 -4.561 -5.207 1.00 22.31 H new ATOM 0 HB3 MET A 128 -3.651 -4.225 -3.738 1.00 22.31 H new ATOM 0 HG2 MET A 128 -5.780 -4.664 -4.939 1.00 22.12 H new ATOM 0 HG3 MET A 128 -4.880 -5.008 -6.403 1.00 22.12 H new ATOM 0 HE1 MET A 128 -4.054 -7.200 -2.522 1.00 30.05 H new ATOM 0 HE2 MET A 128 -4.726 -5.566 -2.734 1.00 30.05 H new ATOM 0 HE3 MET A 128 -5.809 -6.978 -2.720 1.00 30.05 H new ATOM 2085 N GLN A 129 -1.511 -1.976 -5.409 1.00 64.23 N ATOM 2086 CA GLN A 129 -0.318 -1.187 -5.078 1.00 10.15 C ATOM 2087 C GLN A 129 -0.662 0.312 -4.995 1.00 64.42 C ATOM 2088 O GLN A 129 -0.191 1.030 -4.107 1.00 21.13 O ATOM 2089 CB GLN A 129 0.767 -1.426 -6.144 1.00 45.42 C ATOM 2090 CG GLN A 129 2.070 -0.660 -5.918 1.00 14.01 C ATOM 2091 CD GLN A 129 2.864 -1.153 -4.719 1.00 33.33 C ATOM 2092 OE1 GLN A 129 2.808 -2.323 -4.354 1.00 23.32 O ATOM 2093 NE2 GLN A 129 3.639 -0.274 -4.119 1.00 51.25 N ATOM 0 H GLN A 129 -1.396 -2.582 -6.222 1.00 64.23 H new ATOM 0 HA GLN A 129 0.055 -1.503 -4.104 1.00 10.15 H new ATOM 0 HB2 GLN A 129 0.991 -2.492 -6.181 1.00 45.42 H new ATOM 0 HB3 GLN A 129 0.365 -1.151 -7.119 1.00 45.42 H new ATOM 0 HG2 GLN A 129 2.689 -0.741 -6.812 1.00 14.01 H new ATOM 0 HG3 GLN A 129 1.842 0.397 -5.783 1.00 14.01 H new ATOM 0 HE21 GLN A 129 3.663 0.692 -4.446 1.00 51.25 H new ATOM 0 HE22 GLN A 129 4.215 -0.559 -3.327 1.00 51.25 H new ATOM 2102 N LYS A 130 -1.500 0.769 -5.928 1.00 10.52 N ATOM 2103 CA LYS A 130 -1.949 2.163 -5.959 1.00 73.24 C ATOM 2104 C LYS A 130 -2.896 2.478 -4.785 1.00 13.43 C ATOM 2105 O LYS A 130 -2.692 3.451 -4.058 1.00 22.21 O ATOM 2106 CB LYS A 130 -2.639 2.462 -7.297 1.00 34.53 C ATOM 2107 CG LYS A 130 -3.070 3.919 -7.461 1.00 14.44 C ATOM 2108 CD LYS A 130 -3.696 4.184 -8.829 1.00 54.34 C ATOM 2109 CE LYS A 130 -2.716 3.922 -9.969 1.00 40.14 C ATOM 2110 NZ LYS A 130 -3.311 4.242 -11.293 1.00 32.30 N ATOM 0 H LYS A 130 -1.883 0.191 -6.676 1.00 10.52 H new ATOM 0 HA LYS A 130 -1.072 2.802 -5.856 1.00 73.24 H new ATOM 0 HB2 LYS A 130 -1.962 2.200 -8.110 1.00 34.53 H new ATOM 0 HB3 LYS A 130 -3.516 1.821 -7.393 1.00 34.53 H new ATOM 0 HG2 LYS A 130 -3.786 4.175 -6.680 1.00 14.44 H new ATOM 0 HG3 LYS A 130 -2.206 4.569 -7.326 1.00 14.44 H new ATOM 0 HD2 LYS A 130 -4.574 3.551 -8.954 1.00 54.34 H new ATOM 0 HD3 LYS A 130 -4.039 5.218 -8.876 1.00 54.34 H new ATOM 0 HE2 LYS A 130 -1.817 4.520 -9.820 1.00 40.14 H new ATOM 0 HE3 LYS A 130 -2.409 2.876 -9.952 1.00 40.14 H new ATOM 0 HZ1 LYS A 130 -2.615 4.051 -12.042 1.00 32.30 H new ATOM 0 HZ2 LYS A 130 -4.154 3.653 -11.446 1.00 32.30 H new ATOM 0 HZ3 LYS A 130 -3.581 5.246 -11.319 1.00 32.30 H new ATOM 2124 N ASP A 131 -3.929 1.653 -4.598 1.00 34.41 N ATOM 2125 CA ASP A 131 -4.873 1.839 -3.483 1.00 30.45 C ATOM 2126 C ASP A 131 -4.155 1.857 -2.122 1.00 13.03 C ATOM 2127 O ASP A 131 -4.522 2.619 -1.224 1.00 32.12 O ATOM 2128 CB ASP A 131 -5.947 0.740 -3.485 1.00 53.34 C ATOM 2129 CG ASP A 131 -6.924 0.858 -4.642 1.00 3.12 C ATOM 2130 OD1 ASP A 131 -7.036 1.954 -5.234 1.00 62.32 O ATOM 2131 OD2 ASP A 131 -7.617 -0.138 -4.943 1.00 34.03 O ATOM 0 H ASP A 131 -4.136 0.854 -5.197 1.00 34.41 H new ATOM 0 HA ASP A 131 -5.350 2.808 -3.630 1.00 30.45 H new ATOM 0 HB2 ASP A 131 -5.460 -0.234 -3.527 1.00 53.34 H new ATOM 0 HB3 ASP A 131 -6.500 0.780 -2.546 1.00 53.34 H new ATOM 2136 N ALA A 132 -3.129 1.018 -1.981 1.00 75.12 N ATOM 2137 CA ALA A 132 -2.359 0.921 -0.734 1.00 45.33 C ATOM 2138 C ALA A 132 -1.799 2.283 -0.301 1.00 74.22 C ATOM 2139 O ALA A 132 -2.086 2.766 0.798 1.00 13.11 O ATOM 2140 CB ALA A 132 -1.230 -0.092 -0.893 1.00 22.43 C ATOM 0 H ALA A 132 -2.808 0.391 -2.718 1.00 75.12 H new ATOM 0 HA ALA A 132 -3.037 0.583 0.050 1.00 45.33 H new ATOM 0 HB1 ALA A 132 -0.665 -0.156 0.037 1.00 22.43 H new ATOM 0 HB2 ALA A 132 -1.649 -1.070 -1.131 1.00 22.43 H new ATOM 0 HB3 ALA A 132 -0.568 0.225 -1.699 1.00 22.43 H new ATOM 2146 N VAL A 133 -1.007 2.907 -1.173 1.00 42.44 N ATOM 2147 CA VAL A 133 -0.405 4.209 -0.867 1.00 72.45 C ATOM 2148 C VAL A 133 -1.474 5.302 -0.671 1.00 44.31 C ATOM 2149 O VAL A 133 -1.297 6.222 0.132 1.00 30.23 O ATOM 2150 CB VAL A 133 0.607 4.643 -1.961 1.00 2.24 C ATOM 2151 CG1 VAL A 133 -0.065 4.770 -3.327 1.00 13.52 C ATOM 2152 CG2 VAL A 133 1.297 5.947 -1.571 1.00 52.03 C ATOM 0 H VAL A 133 -0.767 2.536 -2.092 1.00 42.44 H new ATOM 0 HA VAL A 133 0.135 4.088 0.072 1.00 72.45 H new ATOM 0 HB VAL A 133 1.365 3.863 -2.039 1.00 2.24 H new ATOM 0 HG11 VAL A 133 0.673 5.075 -4.069 1.00 13.52 H new ATOM 0 HG12 VAL A 133 -0.491 3.809 -3.614 1.00 13.52 H new ATOM 0 HG13 VAL A 133 -0.857 5.517 -3.275 1.00 13.52 H new ATOM 0 HG21 VAL A 133 2.002 6.233 -2.351 1.00 52.03 H new ATOM 0 HG22 VAL A 133 0.550 6.732 -1.451 1.00 52.03 H new ATOM 0 HG23 VAL A 133 1.832 5.809 -0.632 1.00 52.03 H new ATOM 2162 N GLN A 134 -2.591 5.192 -1.393 1.00 11.30 N ATOM 2163 CA GLN A 134 -3.698 6.145 -1.240 1.00 51.12 C ATOM 2164 C GLN A 134 -4.329 6.040 0.157 1.00 10.23 C ATOM 2165 O GLN A 134 -4.662 7.051 0.778 1.00 51.40 O ATOM 2166 CB GLN A 134 -4.767 5.925 -2.321 1.00 72.53 C ATOM 2167 CG GLN A 134 -4.257 6.098 -3.748 1.00 72.11 C ATOM 2168 CD GLN A 134 -3.619 7.457 -3.991 1.00 13.22 C ATOM 2169 OE1 GLN A 134 -2.319 7.546 -3.795 1.00 41.14 O flip ATOM 2170 NE2 GLN A 134 -4.286 8.419 -4.359 1.00 61.23 N flip ATOM 0 H GLN A 134 -2.755 4.460 -2.084 1.00 11.30 H new ATOM 0 HA GLN A 134 -3.287 7.148 -1.358 1.00 51.12 H new ATOM 0 HB2 GLN A 134 -5.176 4.921 -2.212 1.00 72.53 H new ATOM 0 HB3 GLN A 134 -5.587 6.623 -2.153 1.00 72.53 H new ATOM 0 HG2 GLN A 134 -3.528 5.317 -3.965 1.00 72.11 H new ATOM 0 HG3 GLN A 134 -5.086 5.962 -4.443 1.00 72.11 H new ATOM 0 HE21 GLN A 134 -5.291 8.318 -4.502 1.00 61.23 H new ATOM 0 HE22 GLN A 134 -3.836 9.320 -4.522 1.00 61.23 H new ATOM 2179 N GLN A 135 -4.484 4.812 0.649 1.00 32.41 N ATOM 2180 CA GLN A 135 -4.996 4.580 2.004 1.00 33.11 C ATOM 2181 C GLN A 135 -4.059 5.179 3.066 1.00 62.20 C ATOM 2182 O GLN A 135 -4.518 5.766 4.046 1.00 15.43 O ATOM 2183 CB GLN A 135 -5.195 3.075 2.247 1.00 11.21 C ATOM 2184 CG GLN A 135 -6.395 2.484 1.510 1.00 12.14 C ATOM 2185 CD GLN A 135 -7.724 2.962 2.079 1.00 50.34 C ATOM 2186 OE1 GLN A 135 -8.266 3.980 1.665 1.00 53.15 O ATOM 2187 NE2 GLN A 135 -8.266 2.226 3.028 1.00 3.11 N ATOM 0 H GLN A 135 -4.263 3.961 0.132 1.00 32.41 H new ATOM 0 HA GLN A 135 -5.960 5.081 2.091 1.00 33.11 H new ATOM 0 HB2 GLN A 135 -4.294 2.545 1.939 1.00 11.21 H new ATOM 0 HB3 GLN A 135 -5.316 2.902 3.316 1.00 11.21 H new ATOM 0 HG2 GLN A 135 -6.338 2.753 0.455 1.00 12.14 H new ATOM 0 HG3 GLN A 135 -6.351 1.396 1.564 1.00 12.14 H new ATOM 0 HE21 GLN A 135 -7.792 1.383 3.353 1.00 3.11 H new ATOM 0 HE22 GLN A 135 -9.159 2.499 3.437 1.00 3.11 H new ATOM 2196 N ILE A 136 -2.747 5.028 2.865 1.00 31.53 N ATOM 2197 CA ILE A 136 -1.756 5.649 3.756 1.00 52.20 C ATOM 2198 C ILE A 136 -1.956 7.171 3.804 1.00 11.11 C ATOM 2199 O ILE A 136 -2.108 7.760 4.875 1.00 52.14 O ATOM 2200 CB ILE A 136 -0.299 5.344 3.307 1.00 43.34 C ATOM 2201 CG1 ILE A 136 -0.060 3.826 3.236 1.00 42.15 C ATOM 2202 CG2 ILE A 136 0.703 6.003 4.259 1.00 2.45 C ATOM 2203 CD1 ILE A 136 1.330 3.434 2.773 1.00 24.14 C ATOM 0 H ILE A 136 -2.346 4.486 2.100 1.00 31.53 H new ATOM 0 HA ILE A 136 -1.908 5.222 4.747 1.00 52.20 H new ATOM 0 HB ILE A 136 -0.152 5.759 2.310 1.00 43.34 H new ATOM 0 HG12 ILE A 136 -0.237 3.396 4.222 1.00 42.15 H new ATOM 0 HG13 ILE A 136 -0.793 3.386 2.560 1.00 42.15 H new ATOM 0 HG21 ILE A 136 1.718 5.780 3.930 1.00 2.45 H new ATOM 0 HG22 ILE A 136 0.550 7.082 4.258 1.00 2.45 H new ATOM 0 HG23 ILE A 136 0.555 5.617 5.267 1.00 2.45 H new ATOM 0 HD11 ILE A 136 1.413 2.347 2.752 1.00 24.14 H new ATOM 0 HD12 ILE A 136 1.506 3.831 1.773 1.00 24.14 H new ATOM 0 HD13 ILE A 136 2.071 3.841 3.461 1.00 24.14 H new ATOM 2215 N LEU A 137 -1.972 7.790 2.624 1.00 31.43 N ATOM 2216 CA LEU A 137 -2.208 9.232 2.490 1.00 20.33 C ATOM 2217 C LEU A 137 -3.504 9.661 3.201 1.00 45.01 C ATOM 2218 O LEU A 137 -3.524 10.630 3.968 1.00 45.03 O ATOM 2219 CB LEU A 137 -2.300 9.600 1.001 1.00 61.14 C ATOM 2220 CG LEU A 137 -2.496 11.094 0.701 1.00 5.14 C ATOM 2221 CD1 LEU A 137 -1.225 11.881 1.018 1.00 41.14 C ATOM 2222 CD2 LEU A 137 -2.928 11.303 -0.748 1.00 31.41 C ATOM 0 H LEU A 137 -1.823 7.311 1.736 1.00 31.43 H new ATOM 0 HA LEU A 137 -1.374 9.755 2.958 1.00 20.33 H new ATOM 0 HB2 LEU A 137 -1.390 9.264 0.504 1.00 61.14 H new ATOM 0 HB3 LEU A 137 -3.128 9.046 0.558 1.00 61.14 H new ATOM 0 HG LEU A 137 -3.291 11.471 1.344 1.00 5.14 H new ATOM 0 HD11 LEU A 137 -1.386 12.936 0.798 1.00 41.14 H new ATOM 0 HD12 LEU A 137 -0.978 11.764 2.073 1.00 41.14 H new ATOM 0 HD13 LEU A 137 -0.403 11.505 0.409 1.00 41.14 H new ATOM 0 HD21 LEU A 137 -3.061 12.368 -0.938 1.00 31.41 H new ATOM 0 HD22 LEU A 137 -2.163 10.908 -1.416 1.00 31.41 H new ATOM 0 HD23 LEU A 137 -3.869 10.783 -0.926 1.00 31.41 H new ATOM 2234 N ARG A 138 -4.577 8.917 2.937 1.00 31.21 N ATOM 2235 CA ARG A 138 -5.902 9.194 3.504 1.00 30.12 C ATOM 2236 C ARG A 138 -5.898 9.168 5.047 1.00 60.33 C ATOM 2237 O ARG A 138 -6.671 9.884 5.687 1.00 62.42 O ATOM 2238 CB ARG A 138 -6.912 8.178 2.939 1.00 32.21 C ATOM 2239 CG ARG A 138 -8.291 8.213 3.597 1.00 23.34 C ATOM 2240 CD ARG A 138 -9.284 7.298 2.882 1.00 10.45 C ATOM 2241 NE ARG A 138 -9.749 7.871 1.619 1.00 72.14 N ATOM 2242 CZ ARG A 138 -9.775 7.238 0.475 1.00 33.13 C ATOM 2243 NH1 ARG A 138 -9.311 6.032 0.371 1.00 55.54 N ATOM 2244 NH2 ARG A 138 -10.265 7.826 -0.567 1.00 72.14 N ATOM 0 H ARG A 138 -4.555 8.103 2.323 1.00 31.21 H new ATOM 0 HA ARG A 138 -6.193 10.204 3.216 1.00 30.12 H new ATOM 0 HB2 ARG A 138 -7.030 8.359 1.871 1.00 32.21 H new ATOM 0 HB3 ARG A 138 -6.498 7.176 3.048 1.00 32.21 H new ATOM 0 HG2 ARG A 138 -8.204 7.910 4.640 1.00 23.34 H new ATOM 0 HG3 ARG A 138 -8.670 9.235 3.593 1.00 23.34 H new ATOM 0 HD2 ARG A 138 -8.814 6.333 2.691 1.00 10.45 H new ATOM 0 HD3 ARG A 138 -10.139 7.113 3.532 1.00 10.45 H new ATOM 0 HE ARG A 138 -10.078 8.837 1.632 1.00 72.14 H new ATOM 0 HH11 ARG A 138 -8.919 5.564 1.188 1.00 55.54 H new ATOM 0 HH12 ARG A 138 -9.338 5.551 -0.528 1.00 55.54 H new ATOM 0 HH21 ARG A 138 -10.627 8.777 -0.493 1.00 72.14 H new ATOM 0 HH22 ARG A 138 -10.289 7.339 -1.463 1.00 72.14 H new ATOM 2258 N GLN A 139 -5.031 8.348 5.641 1.00 5.42 N ATOM 2259 CA GLN A 139 -4.916 8.281 7.107 1.00 22.32 C ATOM 2260 C GLN A 139 -3.987 9.384 7.651 1.00 44.53 C ATOM 2261 O GLN A 139 -4.364 10.138 8.554 1.00 43.13 O ATOM 2262 CB GLN A 139 -4.405 6.898 7.544 1.00 11.15 C ATOM 2263 CG GLN A 139 -5.313 5.742 7.126 1.00 50.43 C ATOM 2264 CD GLN A 139 -4.849 4.390 7.655 1.00 42.41 C ATOM 2265 OE1 GLN A 139 -4.264 4.291 8.729 1.00 21.00 O ATOM 2266 NE2 GLN A 139 -5.091 3.339 6.897 1.00 50.15 N ATOM 0 H GLN A 139 -4.400 7.723 5.139 1.00 5.42 H new ATOM 0 HA GLN A 139 -5.910 8.441 7.523 1.00 22.32 H new ATOM 0 HB2 GLN A 139 -3.413 6.738 7.122 1.00 11.15 H new ATOM 0 HB3 GLN A 139 -4.296 6.888 8.628 1.00 11.15 H new ATOM 0 HG2 GLN A 139 -6.325 5.936 7.483 1.00 50.43 H new ATOM 0 HG3 GLN A 139 -5.361 5.702 6.038 1.00 50.43 H new ATOM 0 HE21 GLN A 139 -5.580 3.452 6.009 1.00 50.15 H new ATOM 0 HE22 GLN A 139 -4.790 2.412 7.199 1.00 50.15 H new ATOM 2275 N VAL A 140 -2.783 9.483 7.081 1.00 51.11 N ATOM 2276 CA VAL A 140 -1.773 10.453 7.534 1.00 11.21 C ATOM 2277 C VAL A 140 -2.319 11.893 7.565 1.00 42.42 C ATOM 2278 O VAL A 140 -2.204 12.592 8.574 1.00 25.30 O ATOM 2279 CB VAL A 140 -0.505 10.405 6.637 1.00 24.33 C ATOM 2280 CG1 VAL A 140 0.518 11.456 7.072 1.00 40.52 C ATOM 2281 CG2 VAL A 140 0.118 9.006 6.656 1.00 10.15 C ATOM 0 H VAL A 140 -2.479 8.901 6.300 1.00 51.11 H new ATOM 0 HA VAL A 140 -1.509 10.165 8.551 1.00 11.21 H new ATOM 0 HB VAL A 140 -0.808 10.634 5.615 1.00 24.33 H new ATOM 0 HG11 VAL A 140 1.395 11.399 6.427 1.00 40.52 H new ATOM 0 HG12 VAL A 140 0.075 12.449 6.995 1.00 40.52 H new ATOM 0 HG13 VAL A 140 0.815 11.270 8.104 1.00 40.52 H new ATOM 0 HG21 VAL A 140 1.004 8.994 6.022 1.00 10.15 H new ATOM 0 HG22 VAL A 140 0.399 8.746 7.677 1.00 10.15 H new ATOM 0 HG23 VAL A 140 -0.605 8.281 6.283 1.00 10.15 H new ATOM 2291 N SER A 141 -2.940 12.323 6.469 1.00 52.13 N ATOM 2292 CA SER A 141 -3.453 13.700 6.353 1.00 32.23 C ATOM 2293 C SER A 141 -4.792 13.893 7.089 1.00 14.34 C ATOM 2294 O SER A 141 -5.442 14.932 6.952 1.00 22.13 O ATOM 2295 CB SER A 141 -3.616 14.080 4.875 1.00 41.22 C ATOM 2296 OG SER A 141 -4.544 13.226 4.219 1.00 2.44 O ATOM 0 H SER A 141 -3.104 11.744 5.645 1.00 52.13 H new ATOM 0 HA SER A 141 -2.721 14.354 6.827 1.00 32.23 H new ATOM 0 HB2 SER A 141 -3.954 15.114 4.799 1.00 41.22 H new ATOM 0 HB3 SER A 141 -2.650 14.023 4.374 1.00 41.22 H new ATOM 0 HG SER A 141 -4.139 12.344 4.086 1.00 2.44 H new ATOM 2302 N ALA A 142 -5.202 12.893 7.873 1.00 14.44 N ATOM 2303 CA ALA A 142 -6.446 12.969 8.653 1.00 2.24 C ATOM 2304 C ALA A 142 -6.191 12.865 10.169 1.00 71.31 C ATOM 2305 O ALA A 142 -7.003 13.329 10.975 1.00 4.43 O ATOM 2306 CB ALA A 142 -7.410 11.879 8.202 1.00 54.15 C ATOM 0 H ALA A 142 -4.691 12.018 7.987 1.00 14.44 H new ATOM 0 HA ALA A 142 -6.890 13.947 8.469 1.00 2.24 H new ATOM 0 HB1 ALA A 142 -8.329 11.942 8.785 1.00 54.15 H new ATOM 0 HB2 ALA A 142 -7.641 12.012 7.145 1.00 54.15 H new ATOM 0 HB3 ALA A 142 -6.951 10.902 8.353 1.00 54.15 H new ATOM 2312 N PHE A 143 -5.061 12.261 10.552 1.00 64.41 N ATOM 2313 CA PHE A 143 -4.714 12.063 11.972 1.00 73.31 C ATOM 2314 C PHE A 143 -4.824 13.346 12.803 1.00 42.14 C ATOM 2315 O PHE A 143 -5.302 13.322 13.940 1.00 4.05 O ATOM 2316 CB PHE A 143 -3.298 11.485 12.108 1.00 33.23 C ATOM 2317 CG PHE A 143 -3.248 9.991 11.951 1.00 70.20 C ATOM 2318 CD1 PHE A 143 -3.938 9.183 12.837 1.00 51.10 C ATOM 2319 CD2 PHE A 143 -2.518 9.396 10.936 1.00 50.11 C ATOM 2320 CE1 PHE A 143 -3.906 7.807 12.713 1.00 65.12 C ATOM 2321 CE2 PHE A 143 -2.480 8.022 10.805 1.00 1.04 C ATOM 2322 CZ PHE A 143 -3.175 7.226 11.694 1.00 13.13 C ATOM 0 H PHE A 143 -4.366 11.898 9.899 1.00 64.41 H new ATOM 0 HA PHE A 143 -5.445 11.356 12.366 1.00 73.31 H new ATOM 0 HB2 PHE A 143 -2.652 11.944 11.359 1.00 33.23 H new ATOM 0 HB3 PHE A 143 -2.895 11.754 13.084 1.00 33.23 H new ATOM 0 HD1 PHE A 143 -4.509 9.633 13.636 1.00 51.10 H new ATOM 0 HD2 PHE A 143 -1.972 10.014 10.239 1.00 50.11 H new ATOM 0 HE1 PHE A 143 -4.451 7.188 13.410 1.00 65.12 H new ATOM 0 HE2 PHE A 143 -1.907 7.570 10.008 1.00 1.04 H new ATOM 0 HZ PHE A 143 -3.147 6.151 11.593 1.00 13.13 H new ATOM 2332 N THR A 144 -4.395 14.459 12.231 1.00 53.32 N ATOM 2333 CA THR A 144 -4.359 15.733 12.958 1.00 62.24 C ATOM 2334 C THR A 144 -5.763 16.316 13.204 1.00 3.21 C ATOM 2335 O THR A 144 -5.928 17.226 14.016 1.00 33.15 O ATOM 2336 CB THR A 144 -3.497 16.779 12.207 1.00 60.05 C ATOM 2337 OG1 THR A 144 -3.421 18.002 12.956 1.00 2.02 O ATOM 2338 CG2 THR A 144 -4.066 17.063 10.820 1.00 34.21 C ATOM 0 H THR A 144 -4.066 14.514 11.267 1.00 53.32 H new ATOM 0 HA THR A 144 -3.910 15.514 13.927 1.00 62.24 H new ATOM 0 HB THR A 144 -2.495 16.364 12.096 1.00 60.05 H new ATOM 0 HG1 THR A 144 -4.154 18.034 13.606 1.00 2.02 H new ATOM 0 HG21 THR A 144 -3.442 17.800 10.315 1.00 34.21 H new ATOM 0 HG22 THR A 144 -4.083 16.142 10.238 1.00 34.21 H new ATOM 0 HG23 THR A 144 -5.080 17.450 10.915 1.00 34.21 H new