USER MOD reduce.3.24.130724 H: found=0, std=0, add=1163, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1167 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 127 MET CE :methyl -141:sc= -1.03 (180deg=-3.15!) USER MOD Set 1.2: A 168 MET CE :methyl 174:sc= -1.42 (180deg=-1.45) USER MOD Set 2.1: A 156 THR OG1 : rot -59:sc= 0.126 USER MOD Set 2.2: A 157 THR OG1 : rot 180:sc= -1.2 USER MOD Set 3.1: A 80 HIS : no HD1:sc= -1.06 K(o=-1.4,f=-2.6!) USER MOD Set 3.2: A 81 ASN :FLIP amide:sc= -0.384 F(o=-3.9,f=-1.4) USER MOD Set 4.1: A 18 MET CE :methyl -140:sc= -3.14! (180deg=-2.92!) USER MOD Set 4.2: A 65 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= -2.93! (180deg=-3.01!) USER MOD Single : A 22 GLN : amide:sc= -0.0757 X(o=-0.076,f=-0.26) USER MOD Single : A 26 THR OG1 : rot -14:sc= 0.173 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0851 USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.0633 (180deg=-0.342) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.029 (180deg=-0.274) USER MOD Single : A 61 CYS SG : rot 180:sc= -1.87 USER MOD Single : A 62 CYS SG : rot 93:sc= -1.06 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 44:sc= 1.05 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -8.79! C(o=-8.8!,f=-8.9!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.438) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc=-0.000654 X(o=-0.00065,f=-0.0021) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0506 F(o=-2.6!,f=-0.051) USER MOD Single : A 94 MET CE :methyl 155:sc= -0.148 (180deg=-0.84) USER MOD Single : A 95 LYS NZ :NH3+ -125:sc= -0.249 (180deg=-1.71!) USER MOD Single : A 99 SER OG : rot 8:sc= 1.59 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 164:sc= -0.33 (180deg=-0.702) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= -0.104 (180deg=-0.619) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 CYS SG : rot 92:sc= 0.625 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0759 X(o=-0.076,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -94:sc= 1.29 USER MOD Single : A 133 GLN : amide:sc= -0.695 X(o=-0.7,f=-0.58) USER MOD Single : A 137 CYS SG : rot 34:sc= -0.0423 USER MOD Single : A 147 SER OG : rot 180:sc= -1.59! USER MOD Single : A 150 CYS SG : rot -55:sc= -1.1 USER MOD Single : A 154 THR OG1 : rot 180:sc= 0.413 USER MOD Single : A 160 MET CE :methyl 163:sc= -0.094 (180deg=-0.475) USER MOD Single : A 162 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 163 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ -162:sc= -0.0175 (180deg=-0.176) USER MOD Single : A 169 HIS : no HD1:sc=-0.00817 X(o=-0.0082,f=-0.0082) USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N ILE A 16 30.771 -8.849 6.971 1.00 4.74 N ATOM 215 CA ILE A 16 30.489 -7.434 7.185 1.00 4.26 C ATOM 216 C ILE A 16 30.467 -6.586 5.908 1.00 3.73 C ATOM 217 O ILE A 16 31.329 -6.686 5.026 1.00 3.57 O ATOM 218 CB ILE A 16 31.446 -6.781 8.199 1.00 4.00 C ATOM 219 CG1 ILE A 16 30.639 -6.170 9.345 1.00 4.44 C ATOM 220 CG2 ILE A 16 32.281 -5.714 7.527 1.00 3.10 C ATOM 221 CD1 ILE A 16 29.668 -5.102 8.879 1.00 4.12 C ATOM 0 HA ILE A 16 29.477 -7.443 7.591 1.00 4.26 H new ATOM 0 HB ILE A 16 32.116 -7.544 8.595 1.00 4.00 H new ATOM 0 HG12 ILE A 16 30.086 -6.959 9.855 1.00 4.44 H new ATOM 0 HG13 ILE A 16 31.324 -5.738 10.075 1.00 4.44 H new ATOM 0 HG21 ILE A 16 32.952 -5.263 8.258 1.00 3.10 H new ATOM 0 HG22 ILE A 16 32.867 -6.162 6.725 1.00 3.10 H new ATOM 0 HG23 ILE A 16 31.627 -4.947 7.113 1.00 3.10 H new ATOM 0 HD11 ILE A 16 29.124 -4.706 9.736 1.00 4.12 H new ATOM 0 HD12 ILE A 16 30.219 -4.296 8.394 1.00 4.12 H new ATOM 0 HD13 ILE A 16 28.962 -5.536 8.171 1.00 4.12 H new ATOM 233 N LYS A 17 29.452 -5.731 5.887 1.00 3.63 N ATOM 234 CA LYS A 17 29.167 -4.763 4.843 1.00 3.33 C ATOM 235 C LYS A 17 28.979 -3.451 5.557 1.00 2.84 C ATOM 236 O LYS A 17 28.477 -3.449 6.681 1.00 3.10 O ATOM 237 CB LYS A 17 27.904 -5.167 4.099 1.00 3.97 C ATOM 238 CG LYS A 17 26.941 -6.009 4.934 1.00 4.67 C ATOM 239 CD LYS A 17 26.333 -5.228 6.093 1.00 5.07 C ATOM 240 CE LYS A 17 26.654 -5.864 7.433 1.00 5.85 C ATOM 241 NZ LYS A 17 26.562 -4.882 8.549 1.00 6.09 N ATOM 0 H LYS A 17 28.768 -5.695 6.643 1.00 3.63 H new ATOM 0 HA LYS A 17 29.965 -4.699 4.103 1.00 3.33 H new ATOM 0 HB2 LYS A 17 27.388 -4.268 3.763 1.00 3.97 H new ATOM 0 HB3 LYS A 17 28.182 -5.728 3.207 1.00 3.97 H new ATOM 0 HG2 LYS A 17 26.142 -6.383 4.294 1.00 4.67 H new ATOM 0 HG3 LYS A 17 27.469 -6.879 5.324 1.00 4.67 H new ATOM 0 HD2 LYS A 17 26.708 -4.205 6.078 1.00 5.07 H new ATOM 0 HD3 LYS A 17 25.252 -5.173 5.967 1.00 5.07 H new ATOM 0 HE2 LYS A 17 25.966 -6.689 7.618 1.00 5.85 H new ATOM 0 HE3 LYS A 17 27.658 -6.287 7.403 1.00 5.85 H new ATOM 0 HZ1 LYS A 17 26.722 -5.369 9.454 1.00 6.09 H new ATOM 0 HZ2 LYS A 17 27.283 -4.143 8.422 1.00 6.09 H new ATOM 0 HZ3 LYS A 17 25.617 -4.447 8.552 1.00 6.09 H new ATOM 255 N MET A 18 29.382 -2.332 4.988 1.00 2.38 N ATOM 256 CA MET A 18 29.257 -1.145 5.782 1.00 2.12 C ATOM 257 C MET A 18 28.684 0.152 5.277 1.00 2.26 C ATOM 258 O MET A 18 29.198 0.799 4.374 1.00 2.37 O ATOM 259 CB MET A 18 30.620 -0.781 6.147 1.00 1.82 C ATOM 260 CG MET A 18 31.644 -1.158 5.068 1.00 2.03 C ATOM 261 SD MET A 18 31.431 -0.302 3.489 1.00 2.43 S ATOM 262 CE MET A 18 31.173 -1.676 2.369 1.00 3.14 C ATOM 0 H MET A 18 29.769 -2.226 4.050 1.00 2.38 H new ATOM 0 HA MET A 18 28.520 -1.471 6.516 1.00 2.12 H new ATOM 0 HB2 MET A 18 30.668 0.293 6.328 1.00 1.82 H new ATOM 0 HB3 MET A 18 30.885 -1.275 7.082 1.00 1.82 H new ATOM 0 HG2 MET A 18 32.644 -0.948 5.447 1.00 2.03 H new ATOM 0 HG3 MET A 18 31.588 -2.232 4.893 1.00 2.03 H new ATOM 0 HE1 MET A 18 31.700 -1.487 1.434 1.00 3.14 H new ATOM 0 HE2 MET A 18 31.554 -2.591 2.822 1.00 3.14 H new ATOM 0 HE3 MET A 18 30.107 -1.787 2.169 1.00 3.14 H new ATOM 272 N PHE A 19 27.630 0.526 5.945 1.00 2.46 N ATOM 273 CA PHE A 19 27.073 1.841 5.872 1.00 2.77 C ATOM 274 C PHE A 19 26.521 2.097 7.266 1.00 2.74 C ATOM 275 O PHE A 19 25.632 1.361 7.689 1.00 2.74 O ATOM 276 CB PHE A 19 26.035 1.992 4.784 1.00 3.31 C ATOM 277 CG PHE A 19 25.729 3.438 4.494 1.00 3.72 C ATOM 278 CD1 PHE A 19 24.751 4.113 5.207 1.00 3.78 C ATOM 279 CD2 PHE A 19 26.411 4.117 3.497 1.00 4.18 C ATOM 280 CE1 PHE A 19 24.464 5.437 4.932 1.00 4.26 C ATOM 281 CE2 PHE A 19 26.127 5.439 3.218 1.00 4.66 C ATOM 282 CZ PHE A 19 25.182 6.116 3.982 1.00 4.68 C ATOM 0 H PHE A 19 27.122 -0.096 6.573 1.00 2.46 H new ATOM 0 HA PHE A 19 27.823 2.581 5.591 1.00 2.77 H new ATOM 0 HB2 PHE A 19 26.390 1.507 3.875 1.00 3.31 H new ATOM 0 HB3 PHE A 19 25.120 1.480 5.082 1.00 3.31 H new ATOM 0 HD1 PHE A 19 24.207 3.599 5.986 1.00 3.78 H new ATOM 0 HD2 PHE A 19 27.175 3.605 2.931 1.00 4.18 H new ATOM 0 HE1 PHE A 19 23.671 5.938 5.468 1.00 4.26 H new ATOM 0 HE2 PHE A 19 26.636 5.945 2.411 1.00 4.66 H new ATOM 0 HZ PHE A 19 25.015 7.172 3.827 1.00 4.68 H new ATOM 292 N VAL A 20 27.004 3.075 8.012 1.00 2.86 N ATOM 293 CA VAL A 20 26.434 3.266 9.342 1.00 3.00 C ATOM 294 C VAL A 20 26.176 4.721 9.672 1.00 3.64 C ATOM 295 O VAL A 20 26.952 5.603 9.313 1.00 3.85 O ATOM 296 CB VAL A 20 27.292 2.616 10.450 1.00 2.66 C ATOM 297 CG1 VAL A 20 28.050 1.411 9.911 1.00 2.37 C ATOM 298 CG2 VAL A 20 28.237 3.620 11.075 1.00 2.99 C ATOM 0 H VAL A 20 27.748 3.719 7.744 1.00 2.86 H new ATOM 0 HA VAL A 20 25.470 2.757 9.312 1.00 3.00 H new ATOM 0 HB VAL A 20 26.618 2.268 11.233 1.00 2.66 H new ATOM 0 HG11 VAL A 20 28.647 0.970 10.709 1.00 2.37 H new ATOM 0 HG12 VAL A 20 27.341 0.672 9.538 1.00 2.37 H new ATOM 0 HG13 VAL A 20 28.706 1.727 9.100 1.00 2.37 H new ATOM 0 HG21 VAL A 20 28.826 3.131 11.851 1.00 2.99 H new ATOM 0 HG22 VAL A 20 28.903 4.018 10.310 1.00 2.99 H new ATOM 0 HG23 VAL A 20 27.663 4.435 11.515 1.00 2.99 H new ATOM 308 N GLY A 21 25.081 4.940 10.386 1.00 3.97 N ATOM 309 CA GLY A 21 24.697 6.271 10.789 1.00 4.60 C ATOM 310 C GLY A 21 24.351 6.324 12.262 1.00 4.93 C ATOM 311 O GLY A 21 23.592 5.486 12.751 1.00 4.85 O ATOM 0 H GLY A 21 24.445 4.205 10.696 1.00 3.97 H new ATOM 0 HA2 GLY A 21 25.511 6.965 10.580 1.00 4.60 H new ATOM 0 HA3 GLY A 21 23.840 6.598 10.200 1.00 4.60 H new ATOM 315 N GLN A 22 24.929 7.293 12.965 1.00 5.36 N ATOM 316 CA GLN A 22 24.692 7.471 14.395 1.00 5.79 C ATOM 317 C GLN A 22 25.509 6.490 15.222 1.00 5.48 C ATOM 318 O GLN A 22 24.968 5.743 16.035 1.00 5.53 O ATOM 319 CB GLN A 22 23.202 7.350 14.740 1.00 6.13 C ATOM 320 CG GLN A 22 22.866 7.841 16.138 1.00 6.35 C ATOM 321 CD GLN A 22 23.030 9.341 16.285 1.00 7.21 C ATOM 322 OE1 GLN A 22 24.107 9.827 16.634 1.00 7.79 O ATOM 323 NE2 GLN A 22 21.961 10.083 16.021 1.00 7.55 N ATOM 0 H GLN A 22 25.572 7.975 12.562 1.00 5.36 H new ATOM 0 HA GLN A 22 25.017 8.481 14.646 1.00 5.79 H new ATOM 0 HB2 GLN A 22 22.621 7.918 14.014 1.00 6.13 H new ATOM 0 HB3 GLN A 22 22.898 6.307 14.646 1.00 6.13 H new ATOM 0 HG2 GLN A 22 21.839 7.566 16.378 1.00 6.35 H new ATOM 0 HG3 GLN A 22 23.508 7.337 16.860 1.00 6.35 H new ATOM 0 HE21 GLN A 22 21.089 9.638 15.735 1.00 7.55 H new ATOM 0 HE22 GLN A 22 22.012 11.098 16.104 1.00 7.55 H new ATOM 332 N VAL A 23 26.820 6.493 15.002 1.00 5.25 N ATOM 333 CA VAL A 23 27.717 5.628 15.757 1.00 5.09 C ATOM 334 C VAL A 23 28.270 6.404 16.956 1.00 5.64 C ATOM 335 O VAL A 23 28.581 7.586 16.827 1.00 5.87 O ATOM 336 CB VAL A 23 28.873 5.101 14.872 1.00 4.52 C ATOM 337 CG1 VAL A 23 29.777 6.235 14.421 1.00 4.57 C ATOM 338 CG2 VAL A 23 29.680 4.037 15.600 1.00 4.51 C ATOM 0 H VAL A 23 27.282 7.082 14.310 1.00 5.25 H new ATOM 0 HA VAL A 23 27.156 4.761 16.107 1.00 5.09 H new ATOM 0 HB VAL A 23 28.428 4.646 13.987 1.00 4.52 H new ATOM 0 HG11 VAL A 23 30.580 5.836 13.801 1.00 4.57 H new ATOM 0 HG12 VAL A 23 29.197 6.955 13.844 1.00 4.57 H new ATOM 0 HG13 VAL A 23 30.204 6.729 15.294 1.00 4.57 H new ATOM 0 HG21 VAL A 23 30.485 3.685 14.954 1.00 4.51 H new ATOM 0 HG22 VAL A 23 30.104 4.461 16.510 1.00 4.51 H new ATOM 0 HG23 VAL A 23 29.030 3.201 15.858 1.00 4.51 H new ATOM 348 N PRO A 24 28.375 5.764 18.144 1.00 5.91 N ATOM 349 CA PRO A 24 28.864 6.393 19.366 1.00 6.48 C ATOM 350 C PRO A 24 29.822 7.556 19.114 1.00 6.48 C ATOM 351 O PRO A 24 29.492 8.709 19.394 1.00 7.01 O ATOM 352 CB PRO A 24 29.580 5.234 20.074 1.00 6.70 C ATOM 353 CG PRO A 24 29.084 3.973 19.428 1.00 6.51 C ATOM 354 CD PRO A 24 28.039 4.368 18.417 1.00 5.77 C ATOM 0 HA PRO A 24 28.057 6.845 19.942 1.00 6.48 H new ATOM 0 HB2 PRO A 24 30.661 5.324 19.971 1.00 6.70 H new ATOM 0 HB3 PRO A 24 29.361 5.236 21.142 1.00 6.70 H new ATOM 0 HG2 PRO A 24 29.904 3.441 18.945 1.00 6.51 H new ATOM 0 HG3 PRO A 24 28.662 3.300 20.174 1.00 6.51 H new ATOM 0 HD2 PRO A 24 28.092 3.754 17.518 1.00 5.77 H new ATOM 0 HD3 PRO A 24 27.030 4.264 18.815 1.00 5.77 H new ATOM 362 N ARG A 25 31.007 7.246 18.595 1.00 6.06 N ATOM 363 CA ARG A 25 32.023 8.261 18.304 1.00 6.01 C ATOM 364 C ARG A 25 32.531 8.938 19.579 1.00 6.40 C ATOM 365 O ARG A 25 33.517 9.675 19.542 1.00 6.39 O ATOM 366 CB ARG A 25 31.481 9.328 17.343 1.00 5.95 C ATOM 367 CG ARG A 25 31.213 8.819 15.937 1.00 5.62 C ATOM 368 CD ARG A 25 32.486 8.332 15.263 1.00 5.99 C ATOM 369 NE ARG A 25 33.471 9.402 15.127 1.00 6.24 N ATOM 370 CZ ARG A 25 34.779 9.192 15.009 1.00 6.85 C ATOM 371 NH1 ARG A 25 35.259 7.955 15.008 1.00 7.30 N ATOM 372 NH2 ARG A 25 35.608 10.220 14.890 1.00 7.24 N ATOM 0 H ARG A 25 31.291 6.294 18.365 1.00 6.06 H new ATOM 0 HA ARG A 25 32.857 7.742 17.831 1.00 6.01 H new ATOM 0 HB2 ARG A 25 30.556 9.735 17.753 1.00 5.95 H new ATOM 0 HB3 ARG A 25 32.195 10.150 17.290 1.00 5.95 H new ATOM 0 HG2 ARG A 25 30.488 8.006 15.976 1.00 5.62 H new ATOM 0 HG3 ARG A 25 30.767 9.615 15.341 1.00 5.62 H new ATOM 0 HD2 ARG A 25 32.915 7.515 15.843 1.00 5.99 H new ATOM 0 HD3 ARG A 25 32.246 7.932 14.278 1.00 5.99 H new ATOM 0 HE ARG A 25 33.136 10.366 15.122 1.00 6.24 H new ATOM 0 HH11 ARG A 25 34.624 7.162 15.098 1.00 7.30 H new ATOM 0 HH12 ARG A 25 36.263 7.797 14.917 1.00 7.30 H new ATOM 0 HH21 ARG A 25 35.243 11.172 14.889 1.00 7.24 H new ATOM 0 HH22 ARG A 25 36.611 10.058 14.800 1.00 7.24 H new ATOM 386 N THR A 26 31.862 8.691 20.704 1.00 6.80 N ATOM 387 CA THR A 26 32.263 9.290 21.972 1.00 7.23 C ATOM 388 C THR A 26 33.544 8.649 22.483 1.00 7.16 C ATOM 389 O THR A 26 34.218 9.189 23.361 1.00 7.49 O ATOM 390 CB THR A 26 31.161 9.157 23.041 1.00 7.59 C ATOM 391 OG1 THR A 26 31.636 9.649 24.301 1.00 8.00 O ATOM 392 CG2 THR A 26 30.721 7.709 23.193 1.00 7.42 C ATOM 0 H THR A 26 31.045 8.084 20.762 1.00 6.80 H new ATOM 0 HA THR A 26 32.434 10.351 21.787 1.00 7.23 H new ATOM 0 HB THR A 26 30.304 9.748 22.718 1.00 7.59 H new ATOM 0 HG1 THR A 26 32.609 9.758 24.264 1.00 8.00 H new ATOM 0 HG21 THR A 26 29.943 7.643 23.953 1.00 7.42 H new ATOM 0 HG22 THR A 26 30.331 7.346 22.242 1.00 7.42 H new ATOM 0 HG23 THR A 26 31.573 7.099 23.492 1.00 7.42 H new ATOM 400 N TRP A 27 33.872 7.491 21.922 1.00 6.78 N ATOM 401 CA TRP A 27 35.077 6.769 22.300 1.00 6.78 C ATOM 402 C TRP A 27 36.187 7.035 21.280 1.00 6.52 C ATOM 403 O TRP A 27 36.371 8.169 20.838 1.00 6.48 O ATOM 404 CB TRP A 27 34.787 5.267 22.386 1.00 6.61 C ATOM 405 CG TRP A 27 33.714 4.912 23.369 1.00 6.78 C ATOM 406 CD1 TRP A 27 32.386 4.736 23.106 1.00 7.11 C ATOM 407 CD2 TRP A 27 33.882 4.680 24.771 1.00 6.87 C ATOM 408 NE1 TRP A 27 31.717 4.415 24.262 1.00 7.30 N ATOM 409 CE2 TRP A 27 32.614 4.374 25.298 1.00 7.14 C ATOM 410 CE3 TRP A 27 34.983 4.704 25.632 1.00 7.00 C ATOM 411 CZ2 TRP A 27 32.416 4.092 26.647 1.00 7.39 C ATOM 412 CZ3 TRP A 27 34.785 4.423 26.971 1.00 7.36 C ATOM 413 CH2 TRP A 27 33.511 4.121 27.467 1.00 7.49 C ATOM 0 H TRP A 27 33.316 7.032 21.201 1.00 6.78 H new ATOM 0 HA TRP A 27 35.406 7.118 23.279 1.00 6.78 H new ATOM 0 HB2 TRP A 27 34.496 4.906 21.399 1.00 6.61 H new ATOM 0 HB3 TRP A 27 35.704 4.745 22.659 1.00 6.61 H new ATOM 0 HD1 TRP A 27 31.929 4.835 22.133 1.00 7.11 H new ATOM 0 HE1 TRP A 27 30.716 4.236 24.337 1.00 7.30 H new ATOM 0 HE3 TRP A 27 35.969 4.938 25.258 1.00 7.00 H new ATOM 0 HZ2 TRP A 27 31.434 3.859 27.032 1.00 7.39 H new ATOM 0 HZ3 TRP A 27 35.628 4.437 27.646 1.00 7.36 H new ATOM 0 HH2 TRP A 27 33.390 3.907 28.519 1.00 7.49 H new ATOM 424 N SER A 28 36.917 5.990 20.911 1.00 6.41 N ATOM 425 CA SER A 28 37.992 6.112 19.937 1.00 6.22 C ATOM 426 C SER A 28 37.638 5.320 18.687 1.00 5.65 C ATOM 427 O SER A 28 36.743 4.477 18.723 1.00 5.37 O ATOM 428 CB SER A 28 39.313 5.608 20.521 1.00 6.54 C ATOM 429 OG SER A 28 40.357 5.687 19.563 1.00 6.97 O ATOM 0 H SER A 28 36.783 5.046 21.273 1.00 6.41 H new ATOM 0 HA SER A 28 38.113 7.164 19.679 1.00 6.22 H new ATOM 0 HB2 SER A 28 39.575 6.198 21.399 1.00 6.54 H new ATOM 0 HB3 SER A 28 39.197 4.576 20.854 1.00 6.54 H new ATOM 0 HG SER A 28 41.191 5.361 19.961 1.00 6.97 H new ATOM 435 N GLU A 29 38.332 5.580 17.586 1.00 5.49 N ATOM 436 CA GLU A 29 38.050 4.871 16.345 1.00 4.97 C ATOM 437 C GLU A 29 38.150 3.367 16.558 1.00 4.84 C ATOM 438 O GLU A 29 37.241 2.614 16.210 1.00 4.48 O ATOM 439 CB GLU A 29 39.043 5.296 15.266 1.00 4.89 C ATOM 440 CG GLU A 29 38.735 4.722 13.892 1.00 4.40 C ATOM 441 CD GLU A 29 39.770 5.108 12.854 1.00 4.54 C ATOM 442 OE1 GLU A 29 40.873 4.520 12.869 1.00 4.58 O ATOM 443 OE2 GLU A 29 39.478 5.995 12.025 1.00 4.76 O ATOM 0 H GLU A 29 39.084 6.267 17.527 1.00 5.49 H new ATOM 0 HA GLU A 29 37.037 5.119 16.028 1.00 4.97 H new ATOM 0 HB2 GLU A 29 39.053 6.384 15.202 1.00 4.89 H new ATOM 0 HB3 GLU A 29 40.045 4.985 15.564 1.00 4.89 H new ATOM 0 HG2 GLU A 29 38.681 3.635 13.960 1.00 4.40 H new ATOM 0 HG3 GLU A 29 37.754 5.070 13.568 1.00 4.40 H new ATOM 450 N LYS A 30 39.233 2.948 17.194 1.00 5.20 N ATOM 451 CA LYS A 30 39.465 1.539 17.462 1.00 5.23 C ATOM 452 C LYS A 30 38.326 0.954 18.287 1.00 5.19 C ATOM 453 O LYS A 30 37.879 -0.167 18.047 1.00 4.95 O ATOM 454 CB LYS A 30 40.795 1.370 18.196 1.00 5.76 C ATOM 455 CG LYS A 30 41.081 -0.059 18.635 1.00 6.10 C ATOM 456 CD LYS A 30 41.409 -0.949 17.446 1.00 6.00 C ATOM 457 CE LYS A 30 41.545 -2.405 17.859 1.00 6.45 C ATOM 458 NZ LYS A 30 40.266 -2.951 18.392 1.00 7.08 N ATOM 0 H LYS A 30 39.968 3.568 17.535 1.00 5.20 H new ATOM 0 HA LYS A 30 39.507 1.001 16.515 1.00 5.23 H new ATOM 0 HB2 LYS A 30 41.602 1.708 17.547 1.00 5.76 H new ATOM 0 HB3 LYS A 30 40.799 2.017 19.073 1.00 5.76 H new ATOM 0 HG2 LYS A 30 41.914 -0.066 19.337 1.00 6.10 H new ATOM 0 HG3 LYS A 30 40.216 -0.459 19.163 1.00 6.10 H new ATOM 0 HD2 LYS A 30 40.626 -0.855 16.693 1.00 6.00 H new ATOM 0 HD3 LYS A 30 42.337 -0.613 16.984 1.00 6.00 H new ATOM 0 HE2 LYS A 30 41.864 -2.998 17.002 1.00 6.45 H new ATOM 0 HE3 LYS A 30 42.323 -2.497 18.617 1.00 6.45 H new ATOM 0 HZ1 LYS A 30 40.305 -3.990 18.392 1.00 7.08 H new ATOM 0 HZ2 LYS A 30 40.121 -2.610 19.364 1.00 7.08 H new ATOM 0 HZ3 LYS A 30 39.477 -2.635 17.793 1.00 7.08 H new ATOM 472 N ASP A 31 37.854 1.731 19.252 1.00 5.49 N ATOM 473 CA ASP A 31 36.776 1.304 20.125 1.00 5.55 C ATOM 474 C ASP A 31 35.524 0.927 19.341 1.00 5.01 C ATOM 475 O ASP A 31 34.935 -0.117 19.596 1.00 4.91 O ATOM 476 CB ASP A 31 36.441 2.397 21.137 1.00 6.02 C ATOM 477 CG ASP A 31 37.560 2.629 22.133 1.00 6.57 C ATOM 478 OD1 ASP A 31 38.159 1.636 22.594 1.00 6.91 O ATOM 479 OD2 ASP A 31 37.837 3.805 22.452 1.00 6.86 O ATOM 0 H ASP A 31 38.206 2.668 19.449 1.00 5.49 H new ATOM 0 HA ASP A 31 37.123 0.416 20.653 1.00 5.55 H new ATOM 0 HB2 ASP A 31 36.232 3.326 20.607 1.00 6.02 H new ATOM 0 HB3 ASP A 31 35.532 2.125 21.674 1.00 6.02 H new ATOM 484 N LEU A 32 35.122 1.744 18.368 1.00 4.72 N ATOM 485 CA LEU A 32 33.908 1.421 17.618 1.00 4.23 C ATOM 486 C LEU A 32 34.115 0.188 16.762 1.00 3.82 C ATOM 487 O LEU A 32 33.169 -0.537 16.461 1.00 3.55 O ATOM 488 CB LEU A 32 33.394 2.555 16.735 1.00 4.13 C ATOM 489 CG LEU A 32 34.406 3.591 16.326 1.00 3.86 C ATOM 490 CD1 LEU A 32 34.236 3.954 14.861 1.00 4.25 C ATOM 491 CD2 LEU A 32 34.230 4.789 17.227 1.00 3.73 C ATOM 0 H LEU A 32 35.597 2.602 18.088 1.00 4.72 H new ATOM 0 HA LEU A 32 33.149 1.240 18.379 1.00 4.23 H new ATOM 0 HB2 LEU A 32 32.966 2.119 15.832 1.00 4.13 H new ATOM 0 HB3 LEU A 32 32.583 3.058 17.261 1.00 4.13 H new ATOM 0 HG LEU A 32 35.419 3.204 16.434 1.00 3.86 H new ATOM 0 HD11 LEU A 32 34.976 4.704 14.584 1.00 4.25 H new ATOM 0 HD12 LEU A 32 34.374 3.064 14.247 1.00 4.25 H new ATOM 0 HD13 LEU A 32 33.235 4.355 14.699 1.00 4.25 H new ATOM 0 HD21 LEU A 32 34.952 5.559 16.954 1.00 3.73 H new ATOM 0 HD22 LEU A 32 33.220 5.183 17.115 1.00 3.73 H new ATOM 0 HD23 LEU A 32 34.391 4.492 18.263 1.00 3.73 H new ATOM 503 N ARG A 33 35.367 -0.050 16.383 1.00 3.89 N ATOM 504 CA ARG A 33 35.699 -1.180 15.533 1.00 3.67 C ATOM 505 C ARG A 33 35.210 -2.496 16.127 1.00 3.83 C ATOM 506 O ARG A 33 34.773 -3.387 15.397 1.00 3.57 O ATOM 507 CB ARG A 33 37.210 -1.256 15.306 1.00 3.95 C ATOM 508 CG ARG A 33 37.800 -0.013 14.668 1.00 4.34 C ATOM 509 CD ARG A 33 39.196 -0.276 14.129 1.00 4.72 C ATOM 510 NE ARG A 33 39.631 0.762 13.198 1.00 5.30 N ATOM 511 CZ ARG A 33 40.336 0.515 12.098 1.00 5.77 C ATOM 512 NH1 ARG A 33 40.692 -0.728 11.799 1.00 5.63 N ATOM 513 NH2 ARG A 33 40.688 1.511 11.295 1.00 6.56 N ATOM 0 H ARG A 33 36.165 0.526 16.652 1.00 3.89 H new ATOM 0 HA ARG A 33 35.194 -1.024 14.580 1.00 3.67 H new ATOM 0 HB2 ARG A 33 37.703 -1.430 16.263 1.00 3.95 H new ATOM 0 HB3 ARG A 33 37.429 -2.116 14.673 1.00 3.95 H new ATOM 0 HG2 ARG A 33 37.153 0.324 13.858 1.00 4.34 H new ATOM 0 HG3 ARG A 33 37.837 0.792 15.402 1.00 4.34 H new ATOM 0 HD2 ARG A 33 39.899 -0.335 14.960 1.00 4.72 H new ATOM 0 HD3 ARG A 33 39.214 -1.243 13.627 1.00 4.72 H new ATOM 0 HE ARG A 33 39.380 1.729 13.403 1.00 5.30 H new ATOM 0 HH11 ARG A 33 40.425 -1.497 12.414 1.00 5.63 H new ATOM 0 HH12 ARG A 33 41.233 -0.914 10.954 1.00 5.63 H new ATOM 0 HH21 ARG A 33 40.418 2.468 11.521 1.00 6.56 H new ATOM 0 HH22 ARG A 33 41.229 1.319 10.452 1.00 6.56 H new ATOM 527 N GLU A 34 35.246 -2.608 17.455 1.00 4.29 N ATOM 528 CA GLU A 34 34.840 -3.836 18.110 1.00 4.54 C ATOM 529 C GLU A 34 33.358 -4.105 17.875 1.00 4.17 C ATOM 530 O GLU A 34 32.939 -5.254 17.725 1.00 4.17 O ATOM 531 CB GLU A 34 35.146 -3.757 19.598 1.00 5.12 C ATOM 532 CG GLU A 34 34.202 -2.842 20.322 1.00 5.67 C ATOM 533 CD GLU A 34 34.532 -2.684 21.794 1.00 6.50 C ATOM 534 OE1 GLU A 34 35.360 -1.811 22.127 1.00 6.86 O ATOM 535 OE2 GLU A 34 33.962 -3.435 22.613 1.00 6.88 O ATOM 0 H GLU A 34 35.550 -1.867 18.087 1.00 4.29 H new ATOM 0 HA GLU A 34 35.404 -4.665 17.683 1.00 4.54 H new ATOM 0 HB2 GLU A 34 35.088 -4.755 20.033 1.00 5.12 H new ATOM 0 HB3 GLU A 34 36.169 -3.407 19.739 1.00 5.12 H new ATOM 0 HG2 GLU A 34 34.220 -1.862 19.845 1.00 5.67 H new ATOM 0 HG3 GLU A 34 33.187 -3.226 20.223 1.00 5.67 H new ATOM 542 N LEU A 35 32.576 -3.031 17.821 1.00 3.97 N ATOM 543 CA LEU A 35 31.139 -3.141 17.610 1.00 3.73 C ATOM 544 C LEU A 35 30.829 -3.822 16.281 1.00 3.22 C ATOM 545 O LEU A 35 29.873 -4.590 16.175 1.00 3.17 O ATOM 546 CB LEU A 35 30.491 -1.751 17.625 1.00 3.73 C ATOM 547 CG LEU A 35 30.994 -0.795 18.711 1.00 4.04 C ATOM 548 CD1 LEU A 35 30.384 0.588 18.524 1.00 4.24 C ATOM 549 CD2 LEU A 35 30.671 -1.339 20.095 1.00 4.42 C ATOM 0 H LEU A 35 32.915 -2.074 17.921 1.00 3.97 H new ATOM 0 HA LEU A 35 30.731 -3.746 18.420 1.00 3.73 H new ATOM 0 HB2 LEU A 35 30.652 -1.285 16.653 1.00 3.73 H new ATOM 0 HB3 LEU A 35 29.415 -1.873 17.745 1.00 3.73 H new ATOM 0 HG LEU A 35 32.077 -0.710 18.622 1.00 4.04 H new ATOM 0 HD11 LEU A 35 30.751 1.256 19.303 1.00 4.24 H new ATOM 0 HD12 LEU A 35 30.666 0.981 17.547 1.00 4.24 H new ATOM 0 HD13 LEU A 35 29.298 0.518 18.588 1.00 4.24 H new ATOM 0 HD21 LEU A 35 31.036 -0.646 20.853 1.00 4.42 H new ATOM 0 HD22 LEU A 35 29.592 -1.454 20.198 1.00 4.42 H new ATOM 0 HD23 LEU A 35 31.153 -2.308 20.227 1.00 4.42 H new ATOM 561 N PHE A 36 31.643 -3.532 15.271 1.00 2.92 N ATOM 562 CA PHE A 36 31.440 -4.089 13.938 1.00 2.53 C ATOM 563 C PHE A 36 31.894 -5.541 13.836 1.00 2.79 C ATOM 564 O PHE A 36 31.409 -6.288 12.984 1.00 2.71 O ATOM 565 CB PHE A 36 32.163 -3.230 12.907 1.00 2.33 C ATOM 566 CG PHE A 36 31.768 -1.785 12.981 1.00 2.64 C ATOM 567 CD1 PHE A 36 30.581 -1.348 12.417 1.00 3.18 C ATOM 568 CD2 PHE A 36 32.587 -0.862 13.609 1.00 2.74 C ATOM 569 CE1 PHE A 36 30.218 -0.015 12.478 1.00 3.84 C ATOM 570 CE2 PHE A 36 32.230 0.470 13.674 1.00 3.25 C ATOM 571 CZ PHE A 36 31.026 0.889 13.128 1.00 3.84 C ATOM 0 H PHE A 36 32.450 -2.914 15.350 1.00 2.92 H new ATOM 0 HA PHE A 36 30.369 -4.081 13.738 1.00 2.53 H new ATOM 0 HB2 PHE A 36 33.239 -3.317 13.058 1.00 2.33 H new ATOM 0 HB3 PHE A 36 31.949 -3.611 11.908 1.00 2.33 H new ATOM 0 HD1 PHE A 36 29.932 -2.056 11.924 1.00 3.18 H new ATOM 0 HD2 PHE A 36 33.516 -1.188 14.053 1.00 2.74 H new ATOM 0 HE1 PHE A 36 29.300 0.316 12.015 1.00 3.84 H new ATOM 0 HE2 PHE A 36 32.887 1.184 14.149 1.00 3.25 H new ATOM 0 HZ PHE A 36 30.723 1.922 13.213 1.00 3.84 H new ATOM 581 N GLU A 37 32.822 -5.942 14.698 1.00 3.23 N ATOM 582 CA GLU A 37 33.328 -7.310 14.676 1.00 3.62 C ATOM 583 C GLU A 37 32.207 -8.308 14.941 1.00 3.69 C ATOM 584 O GLU A 37 32.257 -9.448 14.478 1.00 3.94 O ATOM 585 CB GLU A 37 34.444 -7.486 15.708 1.00 4.13 C ATOM 586 CG GLU A 37 35.688 -6.668 15.401 1.00 4.40 C ATOM 587 CD GLU A 37 36.840 -6.989 16.333 1.00 5.13 C ATOM 588 OE1 GLU A 37 36.872 -6.431 17.450 1.00 5.70 O ATOM 589 OE2 GLU A 37 37.709 -7.797 15.946 1.00 5.27 O ATOM 0 H GLU A 37 33.236 -5.346 15.415 1.00 3.23 H new ATOM 0 HA GLU A 37 33.734 -7.503 13.683 1.00 3.62 H new ATOM 0 HB2 GLU A 37 34.067 -7.204 16.691 1.00 4.13 H new ATOM 0 HB3 GLU A 37 34.716 -8.540 15.761 1.00 4.13 H new ATOM 0 HG2 GLU A 37 35.995 -6.853 14.372 1.00 4.40 H new ATOM 0 HG3 GLU A 37 35.449 -5.607 15.476 1.00 4.40 H new ATOM 596 N GLN A 38 31.187 -7.856 15.671 1.00 3.55 N ATOM 597 CA GLN A 38 30.040 -8.684 16.022 1.00 3.66 C ATOM 598 C GLN A 38 29.514 -9.472 14.827 1.00 3.45 C ATOM 599 O GLN A 38 28.870 -10.509 14.998 1.00 3.63 O ATOM 600 CB GLN A 38 28.930 -7.798 16.580 1.00 3.66 C ATOM 601 CG GLN A 38 29.089 -7.478 18.056 1.00 4.03 C ATOM 602 CD GLN A 38 28.048 -6.495 18.559 1.00 4.19 C ATOM 603 OE1 GLN A 38 26.930 -6.440 18.047 1.00 4.53 O ATOM 604 NE2 GLN A 38 28.414 -5.711 19.567 1.00 4.12 N ATOM 0 H GLN A 38 31.136 -6.904 16.034 1.00 3.55 H new ATOM 0 HA GLN A 38 30.365 -9.404 16.773 1.00 3.66 H new ATOM 0 HB2 GLN A 38 28.903 -6.866 16.016 1.00 3.66 H new ATOM 0 HB3 GLN A 38 27.971 -8.292 16.426 1.00 3.66 H new ATOM 0 HG2 GLN A 38 29.020 -8.400 18.633 1.00 4.03 H new ATOM 0 HG3 GLN A 38 30.084 -7.067 18.229 1.00 4.03 H new ATOM 0 HE21 GLN A 38 29.351 -5.791 19.961 1.00 4.12 H new ATOM 0 HE22 GLN A 38 27.758 -5.029 19.947 1.00 4.12 H new ATOM 613 N TYR A 39 29.785 -8.982 13.625 1.00 3.16 N ATOM 614 CA TYR A 39 29.315 -9.645 12.415 1.00 3.09 C ATOM 615 C TYR A 39 30.440 -10.378 11.691 1.00 3.43 C ATOM 616 O TYR A 39 30.220 -11.456 11.138 1.00 3.70 O ATOM 617 CB TYR A 39 28.668 -8.627 11.477 1.00 2.67 C ATOM 618 CG TYR A 39 27.523 -7.871 12.110 1.00 2.49 C ATOM 619 CD1 TYR A 39 26.221 -8.351 12.034 1.00 2.65 C ATOM 620 CD2 TYR A 39 27.744 -6.678 12.786 1.00 2.40 C ATOM 621 CE1 TYR A 39 25.172 -7.663 12.615 1.00 2.74 C ATOM 622 CE2 TYR A 39 26.702 -5.984 13.370 1.00 2.52 C ATOM 623 CZ TYR A 39 25.418 -6.481 13.282 1.00 2.70 C ATOM 624 OH TYR A 39 24.377 -5.794 13.864 1.00 3.03 O ATOM 0 H TYR A 39 30.325 -8.132 13.461 1.00 3.16 H new ATOM 0 HA TYR A 39 28.576 -10.388 12.715 1.00 3.09 H new ATOM 0 HB2 TYR A 39 29.425 -7.916 11.147 1.00 2.67 H new ATOM 0 HB3 TYR A 39 28.306 -9.142 10.588 1.00 2.67 H new ATOM 0 HD1 TYR A 39 26.026 -9.276 11.513 1.00 2.65 H new ATOM 0 HD2 TYR A 39 28.748 -6.286 12.856 1.00 2.40 H new ATOM 0 HE1 TYR A 39 24.166 -8.049 12.547 1.00 2.74 H new ATOM 0 HE2 TYR A 39 26.891 -5.058 13.892 1.00 2.52 H new ATOM 0 HH TYR A 39 24.720 -4.983 14.294 1.00 3.03 H new ATOM 634 N GLY A 40 31.646 -9.806 11.698 1.00 3.54 N ATOM 635 CA GLY A 40 32.757 -10.436 11.003 1.00 3.95 C ATOM 636 C GLY A 40 34.115 -9.894 11.392 1.00 4.02 C ATOM 637 O GLY A 40 34.295 -9.373 12.493 1.00 3.95 O ATOM 0 H GLY A 40 31.870 -8.928 12.167 1.00 3.54 H new ATOM 0 HA2 GLY A 40 32.735 -11.508 11.201 1.00 3.95 H new ATOM 0 HA3 GLY A 40 32.620 -10.307 9.929 1.00 3.95 H new ATOM 641 N ALA A 41 35.077 -10.019 10.476 1.00 4.22 N ATOM 642 CA ALA A 41 36.440 -9.547 10.729 1.00 4.36 C ATOM 643 C ALA A 41 36.730 -8.231 10.007 1.00 3.96 C ATOM 644 O ALA A 41 37.082 -8.216 8.821 1.00 3.97 O ATOM 645 CB ALA A 41 37.455 -10.608 10.327 1.00 4.90 C ATOM 0 H ALA A 41 34.939 -10.440 9.557 1.00 4.22 H new ATOM 0 HA ALA A 41 36.527 -9.360 11.799 1.00 4.36 H new ATOM 0 HB1 ALA A 41 38.462 -10.240 10.522 1.00 4.90 H new ATOM 0 HB2 ALA A 41 37.282 -11.515 10.906 1.00 4.90 H new ATOM 0 HB3 ALA A 41 37.349 -10.829 9.265 1.00 4.90 H new ATOM 651 N VAL A 42 36.599 -7.128 10.738 1.00 3.69 N ATOM 652 CA VAL A 42 36.841 -5.801 10.180 1.00 3.34 C ATOM 653 C VAL A 42 38.179 -5.754 9.446 1.00 3.70 C ATOM 654 O VAL A 42 39.107 -6.495 9.775 1.00 4.23 O ATOM 655 CB VAL A 42 36.820 -4.715 11.276 1.00 3.12 C ATOM 656 CG1 VAL A 42 35.594 -4.874 12.162 1.00 2.79 C ATOM 657 CG2 VAL A 42 38.094 -4.752 12.107 1.00 3.91 C ATOM 0 H VAL A 42 36.326 -7.127 11.721 1.00 3.69 H new ATOM 0 HA VAL A 42 36.036 -5.599 9.473 1.00 3.34 H new ATOM 0 HB VAL A 42 36.768 -3.742 10.787 1.00 3.12 H new ATOM 0 HG11 VAL A 42 35.596 -4.099 12.929 1.00 2.79 H new ATOM 0 HG12 VAL A 42 34.693 -4.782 11.556 1.00 2.79 H new ATOM 0 HG13 VAL A 42 35.613 -5.855 12.637 1.00 2.79 H new ATOM 0 HG21 VAL A 42 38.052 -3.976 12.872 1.00 3.91 H new ATOM 0 HG22 VAL A 42 38.189 -5.727 12.584 1.00 3.91 H new ATOM 0 HG23 VAL A 42 38.955 -4.579 11.461 1.00 3.91 H new ATOM 667 N TYR A 43 38.270 -4.879 8.454 1.00 3.46 N ATOM 668 CA TYR A 43 39.489 -4.736 7.669 1.00 3.81 C ATOM 669 C TYR A 43 39.725 -3.276 7.304 1.00 3.64 C ATOM 670 O TYR A 43 40.815 -2.745 7.516 1.00 3.92 O ATOM 671 CB TYR A 43 39.411 -5.592 6.401 1.00 4.02 C ATOM 672 CG TYR A 43 40.569 -5.383 5.450 1.00 4.43 C ATOM 673 CD1 TYR A 43 41.870 -5.679 5.836 1.00 4.86 C ATOM 674 CD2 TYR A 43 40.361 -4.891 4.167 1.00 4.46 C ATOM 675 CE1 TYR A 43 42.932 -5.494 4.970 1.00 5.24 C ATOM 676 CE2 TYR A 43 41.416 -4.702 3.296 1.00 4.87 C ATOM 677 CZ TYR A 43 42.694 -4.991 3.699 1.00 5.22 C ATOM 678 OH TYR A 43 43.753 -4.819 2.838 1.00 5.63 O ATOM 0 H TYR A 43 37.513 -4.256 8.173 1.00 3.46 H new ATOM 0 HA TYR A 43 40.328 -5.081 8.274 1.00 3.81 H new ATOM 0 HB2 TYR A 43 39.372 -6.643 6.686 1.00 4.02 H new ATOM 0 HB3 TYR A 43 38.480 -5.368 5.880 1.00 4.02 H new ATOM 0 HD1 TYR A 43 42.055 -6.060 6.829 1.00 4.86 H new ATOM 0 HD2 TYR A 43 39.358 -4.653 3.846 1.00 4.46 H new ATOM 0 HE1 TYR A 43 43.937 -5.739 5.280 1.00 5.24 H new ATOM 0 HE2 TYR A 43 41.235 -4.327 2.299 1.00 4.87 H new ATOM 0 HH TYR A 43 43.427 -4.460 1.986 1.00 5.63 H new ATOM 688 N GLU A 44 38.701 -2.633 6.756 1.00 3.26 N ATOM 689 CA GLU A 44 38.811 -1.226 6.373 1.00 3.20 C ATOM 690 C GLU A 44 37.710 -0.402 7.028 1.00 2.81 C ATOM 691 O GLU A 44 36.525 -0.699 6.870 1.00 2.54 O ATOM 692 CB GLU A 44 38.744 -1.074 4.854 1.00 3.40 C ATOM 693 CG GLU A 44 38.968 0.352 4.377 1.00 3.50 C ATOM 694 CD GLU A 44 38.806 0.499 2.875 1.00 4.22 C ATOM 695 OE1 GLU A 44 37.655 0.650 2.414 1.00 4.91 O ATOM 696 OE2 GLU A 44 39.829 0.458 2.161 1.00 4.36 O ATOM 0 H GLU A 44 37.792 -3.056 6.567 1.00 3.26 H new ATOM 0 HA GLU A 44 39.776 -0.857 6.719 1.00 3.20 H new ATOM 0 HB2 GLU A 44 39.492 -1.723 4.398 1.00 3.40 H new ATOM 0 HB3 GLU A 44 37.770 -1.417 4.505 1.00 3.40 H new ATOM 0 HG2 GLU A 44 38.264 1.014 4.881 1.00 3.50 H new ATOM 0 HG3 GLU A 44 39.969 0.674 4.664 1.00 3.50 H new ATOM 703 N ILE A 45 38.102 0.635 7.763 1.00 2.90 N ATOM 704 CA ILE A 45 37.140 1.489 8.440 1.00 2.73 C ATOM 705 C ILE A 45 37.474 2.968 8.287 1.00 3.01 C ATOM 706 O ILE A 45 38.597 3.397 8.559 1.00 3.32 O ATOM 707 CB ILE A 45 37.080 1.158 9.932 1.00 2.75 C ATOM 708 CG1 ILE A 45 36.681 -0.306 10.126 1.00 2.52 C ATOM 709 CG2 ILE A 45 36.101 2.091 10.635 1.00 2.81 C ATOM 710 CD1 ILE A 45 36.656 -0.748 11.571 1.00 2.72 C ATOM 0 H ILE A 45 39.077 0.901 7.903 1.00 2.90 H new ATOM 0 HA ILE A 45 36.175 1.298 7.971 1.00 2.73 H new ATOM 0 HB ILE A 45 38.066 1.305 10.374 1.00 2.75 H new ATOM 0 HG12 ILE A 45 35.694 -0.464 9.691 1.00 2.52 H new ATOM 0 HG13 ILE A 45 37.377 -0.938 9.575 1.00 2.52 H new ATOM 0 HG21 ILE A 45 36.065 1.848 11.697 1.00 2.81 H new ATOM 0 HG22 ILE A 45 36.429 3.123 10.510 1.00 2.81 H new ATOM 0 HG23 ILE A 45 35.108 1.970 10.201 1.00 2.81 H new ATOM 0 HD11 ILE A 45 36.364 -1.797 11.626 1.00 2.72 H new ATOM 0 HD12 ILE A 45 37.647 -0.624 12.007 1.00 2.72 H new ATOM 0 HD13 ILE A 45 35.938 -0.142 12.124 1.00 2.72 H new ATOM 722 N ASN A 46 36.487 3.738 7.852 1.00 2.98 N ATOM 723 CA ASN A 46 36.649 5.174 7.670 1.00 3.34 C ATOM 724 C ASN A 46 35.450 5.941 8.226 1.00 3.49 C ATOM 725 O ASN A 46 34.317 5.466 8.162 1.00 3.30 O ATOM 726 CB ASN A 46 36.824 5.487 6.191 1.00 3.44 C ATOM 727 CG ASN A 46 38.226 5.192 5.695 1.00 3.89 C ATOM 728 OD1 ASN A 46 39.102 6.056 5.730 1.00 4.29 O ATOM 729 ND2 ASN A 46 38.444 3.968 5.231 1.00 4.16 N ATOM 0 H ASN A 46 35.558 3.389 7.617 1.00 2.98 H new ATOM 0 HA ASN A 46 37.536 5.490 8.219 1.00 3.34 H new ATOM 0 HB2 ASN A 46 36.108 4.904 5.613 1.00 3.44 H new ATOM 0 HB3 ASN A 46 36.594 6.538 6.016 1.00 3.44 H new ATOM 0 HD21 ASN A 46 39.368 3.711 4.884 1.00 4.16 H new ATOM 0 HD22 ASN A 46 37.687 3.284 5.221 1.00 4.16 H new ATOM 736 N VAL A 47 35.710 7.126 8.771 1.00 3.90 N ATOM 737 CA VAL A 47 34.649 7.970 9.318 1.00 4.21 C ATOM 738 C VAL A 47 34.670 9.337 8.640 1.00 4.58 C ATOM 739 O VAL A 47 35.702 10.009 8.621 1.00 4.76 O ATOM 740 CB VAL A 47 34.791 8.157 10.840 1.00 4.49 C ATOM 741 CG1 VAL A 47 33.431 8.428 11.463 1.00 4.76 C ATOM 742 CG2 VAL A 47 35.446 6.940 11.476 1.00 4.27 C ATOM 0 H VAL A 47 36.646 7.525 8.846 1.00 3.90 H new ATOM 0 HA VAL A 47 33.701 7.468 9.124 1.00 4.21 H new ATOM 0 HB VAL A 47 35.435 9.017 11.026 1.00 4.49 H new ATOM 0 HG11 VAL A 47 33.543 8.559 12.539 1.00 4.76 H new ATOM 0 HG12 VAL A 47 33.006 9.334 11.030 1.00 4.76 H new ATOM 0 HG13 VAL A 47 32.767 7.586 11.267 1.00 4.76 H new ATOM 0 HG21 VAL A 47 35.536 7.095 12.551 1.00 4.27 H new ATOM 0 HG22 VAL A 47 34.835 6.057 11.287 1.00 4.27 H new ATOM 0 HG23 VAL A 47 36.437 6.794 11.047 1.00 4.27 H new ATOM 752 N LEU A 48 33.533 9.752 8.081 1.00 4.75 N ATOM 753 CA LEU A 48 33.469 11.032 7.367 1.00 5.16 C ATOM 754 C LEU A 48 32.054 11.621 7.288 1.00 5.98 C ATOM 755 O LEU A 48 31.230 11.165 6.497 1.00 6.68 O ATOM 756 CB LEU A 48 34.029 10.878 5.940 1.00 5.21 C ATOM 757 CG LEU A 48 33.856 9.500 5.263 1.00 4.88 C ATOM 758 CD1 LEU A 48 34.945 8.541 5.707 1.00 4.66 C ATOM 759 CD2 LEU A 48 32.479 8.902 5.536 1.00 4.67 C ATOM 0 H LEU A 48 32.656 9.232 8.106 1.00 4.75 H new ATOM 0 HA LEU A 48 34.077 11.727 7.947 1.00 5.16 H new ATOM 0 HB2 LEU A 48 33.555 11.628 5.307 1.00 5.21 H new ATOM 0 HB3 LEU A 48 35.094 11.111 5.967 1.00 5.21 H new ATOM 0 HG LEU A 48 33.942 9.656 4.188 1.00 4.88 H new ATOM 0 HD11 LEU A 48 34.803 7.577 5.218 1.00 4.66 H new ATOM 0 HD12 LEU A 48 35.920 8.946 5.435 1.00 4.66 H new ATOM 0 HD13 LEU A 48 34.896 8.410 6.788 1.00 4.66 H new ATOM 0 HD21 LEU A 48 32.399 7.934 5.042 1.00 4.67 H new ATOM 0 HD22 LEU A 48 32.344 8.774 6.610 1.00 4.67 H new ATOM 0 HD23 LEU A 48 31.709 9.571 5.151 1.00 4.67 H new ATOM 771 N ARG A 49 31.776 12.651 8.093 1.00 6.10 N ATOM 772 CA ARG A 49 30.467 13.308 8.056 1.00 6.94 C ATOM 773 C ARG A 49 30.558 14.752 8.523 1.00 7.60 C ATOM 774 O ARG A 49 30.698 15.026 9.711 1.00 7.80 O ATOM 775 CB ARG A 49 29.434 12.566 8.900 1.00 7.01 C ATOM 776 CG ARG A 49 28.899 11.300 8.255 1.00 6.73 C ATOM 777 CD ARG A 49 28.243 11.579 6.910 1.00 6.74 C ATOM 778 NE ARG A 49 27.179 12.575 7.013 1.00 6.98 N ATOM 779 CZ ARG A 49 26.236 12.743 6.091 1.00 7.61 C ATOM 780 NH1 ARG A 49 26.225 11.984 5.002 1.00 8.05 N ATOM 781 NH2 ARG A 49 25.304 13.671 6.256 1.00 8.04 N ATOM 0 H ARG A 49 32.431 13.043 8.770 1.00 6.10 H new ATOM 0 HA ARG A 49 30.142 13.290 7.016 1.00 6.94 H new ATOM 0 HB2 ARG A 49 29.882 12.310 9.860 1.00 7.01 H new ATOM 0 HB3 ARG A 49 28.600 13.237 9.106 1.00 7.01 H new ATOM 0 HG2 ARG A 49 29.714 10.589 8.120 1.00 6.73 H new ATOM 0 HG3 ARG A 49 28.175 10.832 8.921 1.00 6.73 H new ATOM 0 HD2 ARG A 49 28.998 11.927 6.205 1.00 6.74 H new ATOM 0 HD3 ARG A 49 27.834 10.652 6.508 1.00 6.74 H new ATOM 0 HE ARG A 49 27.159 13.175 7.838 1.00 6.98 H new ATOM 0 HH11 ARG A 49 26.941 11.270 4.871 1.00 8.05 H new ATOM 0 HH12 ARG A 49 25.500 12.115 4.296 1.00 8.05 H new ATOM 0 HH21 ARG A 49 25.310 14.257 7.091 1.00 8.04 H new ATOM 0 HH22 ARG A 49 24.581 13.799 5.548 1.00 8.04 H new ATOM 929 N LYS A 59 32.039 14.249 11.768 1.00 6.67 N ATOM 930 CA LYS A 59 31.685 12.874 11.477 1.00 6.51 C ATOM 931 C LYS A 59 30.375 12.457 12.138 1.00 6.29 C ATOM 932 O LYS A 59 29.680 13.264 12.755 1.00 6.35 O ATOM 933 CB LYS A 59 32.822 11.950 11.897 1.00 6.45 C ATOM 934 CG LYS A 59 33.729 11.579 10.741 1.00 6.21 C ATOM 935 CD LYS A 59 34.454 12.783 10.164 1.00 6.05 C ATOM 936 CE LYS A 59 35.438 13.382 11.158 1.00 6.48 C ATOM 937 NZ LYS A 59 36.497 12.410 11.549 1.00 6.59 N ATOM 0 HA LYS A 59 31.530 12.792 10.401 1.00 6.51 H new ATOM 0 HB2 LYS A 59 33.411 12.436 12.675 1.00 6.45 H new ATOM 0 HB3 LYS A 59 32.405 11.042 12.333 1.00 6.45 H new ATOM 0 HG2 LYS A 59 34.461 10.845 11.078 1.00 6.21 H new ATOM 0 HG3 LYS A 59 33.139 11.104 9.957 1.00 6.21 H new ATOM 0 HD2 LYS A 59 34.986 12.488 9.260 1.00 6.05 H new ATOM 0 HD3 LYS A 59 33.726 13.540 9.873 1.00 6.05 H new ATOM 0 HE2 LYS A 59 35.901 14.267 10.721 1.00 6.48 H new ATOM 0 HE3 LYS A 59 34.900 13.710 12.048 1.00 6.48 H new ATOM 0 HZ1 LYS A 59 37.285 12.918 12.000 1.00 6.59 H new ATOM 0 HZ2 LYS A 59 36.103 11.718 12.218 1.00 6.59 H new ATOM 0 HZ3 LYS A 59 36.843 11.915 10.703 1.00 6.59 H new ATOM 951 N GLY A 60 30.049 11.180 11.982 1.00 6.22 N ATOM 952 CA GLY A 60 28.827 10.628 12.538 1.00 6.09 C ATOM 953 C GLY A 60 28.470 9.309 11.880 1.00 5.44 C ATOM 954 O GLY A 60 27.785 8.467 12.472 1.00 5.15 O ATOM 0 H GLY A 60 30.620 10.506 11.471 1.00 6.22 H new ATOM 0 HA2 GLY A 60 28.947 10.481 13.611 1.00 6.09 H new ATOM 0 HA3 GLY A 60 28.010 11.337 12.403 1.00 6.09 H new ATOM 958 N CYS A 61 28.961 9.136 10.653 1.00 5.25 N ATOM 959 CA CYS A 61 28.727 7.921 9.882 1.00 4.69 C ATOM 960 C CYS A 61 30.061 7.306 9.475 1.00 4.28 C ATOM 961 O CYS A 61 31.003 8.017 9.124 1.00 4.52 O ATOM 962 CB CYS A 61 27.884 8.219 8.640 1.00 4.94 C ATOM 963 SG CYS A 61 26.301 9.015 8.995 1.00 5.62 S ATOM 0 H CYS A 61 29.529 9.832 10.170 1.00 5.25 H new ATOM 0 HA CYS A 61 28.178 7.214 10.504 1.00 4.69 H new ATOM 0 HB2 CYS A 61 28.458 8.859 7.970 1.00 4.94 H new ATOM 0 HB3 CYS A 61 27.698 7.286 8.108 1.00 4.94 H new ATOM 0 HG CYS A 61 25.663 9.228 7.882 1.00 5.62 H new ATOM 969 N CYS A 62 30.134 5.984 9.522 1.00 3.72 N ATOM 970 CA CYS A 62 31.368 5.269 9.199 1.00 3.34 C ATOM 971 C CYS A 62 31.080 3.924 8.540 1.00 2.85 C ATOM 972 O CYS A 62 30.005 3.348 8.730 1.00 2.73 O ATOM 973 CB CYS A 62 32.217 5.067 10.456 1.00 3.28 C ATOM 974 SG CYS A 62 31.433 4.053 11.730 1.00 2.98 S ATOM 0 H CYS A 62 29.354 5.380 9.781 1.00 3.72 H new ATOM 0 HA CYS A 62 31.924 5.880 8.488 1.00 3.34 H new ATOM 0 HB2 CYS A 62 33.162 4.605 10.171 1.00 3.28 H new ATOM 0 HB3 CYS A 62 32.454 6.043 10.880 1.00 3.28 H new ATOM 0 HG CYS A 62 31.794 2.813 11.581 1.00 2.98 H new ATOM 980 N PHE A 63 32.013 3.455 7.711 1.00 2.68 N ATOM 981 CA PHE A 63 31.841 2.167 7.054 1.00 2.38 C ATOM 982 C PHE A 63 33.001 1.208 7.352 1.00 2.10 C ATOM 983 O PHE A 63 34.175 1.571 7.271 1.00 2.27 O ATOM 984 CB PHE A 63 31.658 2.334 5.541 1.00 2.72 C ATOM 985 CG PHE A 63 32.828 2.957 4.832 1.00 3.01 C ATOM 986 CD1 PHE A 63 32.940 4.335 4.728 1.00 3.36 C ATOM 987 CD2 PHE A 63 33.823 2.166 4.284 1.00 3.06 C ATOM 988 CE1 PHE A 63 34.021 4.910 4.088 1.00 3.65 C ATOM 989 CE2 PHE A 63 34.907 2.735 3.644 1.00 3.39 C ATOM 990 CZ PHE A 63 34.978 4.114 3.501 1.00 3.65 C ATOM 0 H PHE A 63 32.880 3.941 7.483 1.00 2.68 H new ATOM 0 HA PHE A 63 30.934 1.724 7.464 1.00 2.38 H new ATOM 0 HB2 PHE A 63 31.464 1.355 5.102 1.00 2.72 H new ATOM 0 HB3 PHE A 63 30.774 2.945 5.361 1.00 2.72 H new ATOM 0 HD1 PHE A 63 32.173 4.966 5.152 1.00 3.36 H new ATOM 0 HD2 PHE A 63 33.751 1.091 4.358 1.00 3.06 H new ATOM 0 HE1 PHE A 63 34.115 5.985 4.048 1.00 3.65 H new ATOM 0 HE2 PHE A 63 35.697 2.109 3.256 1.00 3.39 H new ATOM 0 HZ PHE A 63 35.780 4.560 2.932 1.00 3.65 H new ATOM 1000 N VAL A 64 32.628 -0.023 7.701 1.00 1.83 N ATOM 1001 CA VAL A 64 33.559 -1.104 8.024 1.00 1.80 C ATOM 1002 C VAL A 64 33.356 -2.310 7.105 1.00 1.98 C ATOM 1003 O VAL A 64 32.239 -2.828 6.979 1.00 2.06 O ATOM 1004 CB VAL A 64 33.292 -1.590 9.445 1.00 1.69 C ATOM 1005 CG1 VAL A 64 34.260 -2.699 9.835 1.00 1.96 C ATOM 1006 CG2 VAL A 64 33.345 -0.430 10.424 1.00 2.19 C ATOM 0 H VAL A 64 31.649 -0.302 7.768 1.00 1.83 H new ATOM 0 HA VAL A 64 34.569 -0.711 7.906 1.00 1.80 H new ATOM 0 HB VAL A 64 32.287 -2.011 9.482 1.00 1.69 H new ATOM 0 HG11 VAL A 64 34.047 -3.027 10.853 1.00 1.96 H new ATOM 0 HG12 VAL A 64 34.144 -3.540 9.151 1.00 1.96 H new ATOM 0 HG13 VAL A 64 35.282 -2.325 9.781 1.00 1.96 H new ATOM 0 HG21 VAL A 64 33.152 -0.796 11.432 1.00 2.19 H new ATOM 0 HG22 VAL A 64 34.332 0.032 10.388 1.00 2.19 H new ATOM 0 HG23 VAL A 64 32.589 0.308 10.155 1.00 2.19 H new ATOM 1016 N THR A 65 34.436 -2.801 6.508 1.00 2.26 N ATOM 1017 CA THR A 65 34.326 -3.936 5.604 1.00 2.63 C ATOM 1018 C THR A 65 35.154 -5.105 6.075 1.00 2.83 C ATOM 1019 O THR A 65 36.298 -4.948 6.512 1.00 2.93 O ATOM 1020 CB THR A 65 34.772 -3.607 4.169 1.00 3.06 C ATOM 1021 OG1 THR A 65 33.868 -2.673 3.569 1.00 3.07 O ATOM 1022 CG2 THR A 65 34.836 -4.883 3.330 1.00 3.50 C ATOM 0 H THR A 65 35.381 -2.438 6.631 1.00 2.26 H new ATOM 0 HA THR A 65 33.266 -4.189 5.603 1.00 2.63 H new ATOM 0 HB THR A 65 35.765 -3.160 4.209 1.00 3.06 H new ATOM 0 HG1 THR A 65 34.164 -2.471 2.657 1.00 3.07 H new ATOM 0 HG21 THR A 65 35.153 -4.637 2.317 1.00 3.50 H new ATOM 0 HG22 THR A 65 35.550 -5.576 3.775 1.00 3.50 H new ATOM 0 HG23 THR A 65 33.851 -5.348 3.299 1.00 3.50 H new ATOM 1030 N PHE A 66 34.551 -6.281 5.961 1.00 3.01 N ATOM 1031 CA PHE A 66 35.196 -7.510 6.342 1.00 3.31 C ATOM 1032 C PHE A 66 36.031 -8.004 5.183 1.00 3.79 C ATOM 1033 O PHE A 66 35.666 -7.821 4.020 1.00 3.94 O ATOM 1034 CB PHE A 66 34.158 -8.563 6.759 1.00 3.27 C ATOM 1035 CG PHE A 66 34.651 -9.981 6.656 1.00 3.23 C ATOM 1036 CD1 PHE A 66 35.698 -10.429 7.440 1.00 3.34 C ATOM 1037 CD2 PHE A 66 34.073 -10.858 5.763 1.00 3.49 C ATOM 1038 CE1 PHE A 66 36.160 -11.726 7.336 1.00 3.52 C ATOM 1039 CE2 PHE A 66 34.533 -12.156 5.651 1.00 3.79 C ATOM 1040 CZ PHE A 66 35.577 -12.592 6.439 1.00 3.72 C ATOM 0 H PHE A 66 33.604 -6.399 5.602 1.00 3.01 H new ATOM 0 HA PHE A 66 35.842 -7.331 7.201 1.00 3.31 H new ATOM 0 HB2 PHE A 66 33.852 -8.369 7.787 1.00 3.27 H new ATOM 0 HB3 PHE A 66 33.271 -8.451 6.135 1.00 3.27 H new ATOM 0 HD1 PHE A 66 36.162 -9.754 8.144 1.00 3.34 H new ATOM 0 HD2 PHE A 66 33.252 -10.527 5.144 1.00 3.49 H new ATOM 0 HE1 PHE A 66 36.978 -12.060 7.957 1.00 3.52 H new ATOM 0 HE2 PHE A 66 34.073 -12.831 4.944 1.00 3.79 H new ATOM 0 HZ PHE A 66 35.935 -13.607 6.353 1.00 3.72 H new ATOM 1050 N TYR A 67 37.151 -8.612 5.515 1.00 4.15 N ATOM 1051 CA TYR A 67 38.082 -9.139 4.528 1.00 4.67 C ATOM 1052 C TYR A 67 37.363 -9.615 3.269 1.00 4.93 C ATOM 1053 O TYR A 67 37.665 -9.170 2.163 1.00 5.34 O ATOM 1054 CB TYR A 67 38.855 -10.284 5.152 1.00 5.09 C ATOM 1055 CG TYR A 67 40.324 -9.996 5.368 1.00 5.42 C ATOM 1056 CD1 TYR A 67 40.755 -9.280 6.478 1.00 5.58 C ATOM 1057 CD2 TYR A 67 41.278 -10.432 4.457 1.00 5.82 C ATOM 1058 CE1 TYR A 67 42.095 -9.009 6.675 1.00 6.07 C ATOM 1059 CE2 TYR A 67 42.621 -10.165 4.648 1.00 6.28 C ATOM 1060 CZ TYR A 67 43.027 -9.479 5.769 1.00 6.38 C ATOM 1061 OH TYR A 67 44.359 -9.183 5.954 1.00 6.97 O ATOM 0 H TYR A 67 37.446 -8.757 6.480 1.00 4.15 H new ATOM 0 HA TYR A 67 38.762 -8.341 4.229 1.00 4.67 H new ATOM 0 HB2 TYR A 67 38.401 -10.534 6.111 1.00 5.09 H new ATOM 0 HB3 TYR A 67 38.759 -11.163 4.514 1.00 5.09 H new ATOM 0 HD1 TYR A 67 40.031 -8.930 7.198 1.00 5.58 H new ATOM 0 HD2 TYR A 67 40.966 -10.988 3.586 1.00 5.82 H new ATOM 0 HE1 TYR A 67 42.413 -8.433 7.532 1.00 6.07 H new ATOM 0 HE2 TYR A 67 43.348 -10.494 3.920 1.00 6.28 H new ATOM 0 HH TYR A 67 44.887 -9.586 5.233 1.00 6.97 H new ATOM 1071 N THR A 68 36.408 -10.522 3.448 1.00 4.78 N ATOM 1072 CA THR A 68 35.633 -11.042 2.334 1.00 5.09 C ATOM 1073 C THR A 68 34.184 -10.600 2.469 1.00 4.71 C ATOM 1074 O THR A 68 33.364 -11.276 3.081 1.00 4.43 O ATOM 1075 CB THR A 68 35.711 -12.579 2.230 1.00 5.46 C ATOM 1076 OG1 THR A 68 36.059 -13.148 3.496 1.00 5.14 O ATOM 1077 CG2 THR A 68 36.739 -12.995 1.189 1.00 6.11 C ATOM 0 H THR A 68 36.154 -10.911 4.356 1.00 4.78 H new ATOM 0 HA THR A 68 36.062 -10.637 1.417 1.00 5.09 H new ATOM 0 HB THR A 68 34.730 -12.946 1.928 1.00 5.46 H new ATOM 0 HG1 THR A 68 35.542 -12.711 4.204 1.00 5.14 H new ATOM 0 HG21 THR A 68 36.779 -14.083 1.131 1.00 6.11 H new ATOM 0 HG22 THR A 68 36.457 -12.590 0.217 1.00 6.11 H new ATOM 0 HG23 THR A 68 37.719 -12.611 1.472 1.00 6.11 H new ATOM 1085 N ARG A 69 33.886 -9.468 1.855 1.00 4.80 N ATOM 1086 CA ARG A 69 32.559 -8.873 1.899 1.00 4.60 C ATOM 1087 C ARG A 69 31.479 -9.872 1.491 1.00 4.68 C ATOM 1088 O ARG A 69 30.313 -9.687 1.819 1.00 4.42 O ATOM 1089 CB ARG A 69 32.492 -7.633 1.002 1.00 4.95 C ATOM 1090 CG ARG A 69 32.616 -7.931 -0.489 1.00 5.58 C ATOM 1091 CD ARG A 69 33.987 -8.486 -0.846 1.00 5.81 C ATOM 1092 NE ARG A 69 35.058 -7.825 -0.102 1.00 5.91 N ATOM 1093 CZ ARG A 69 35.872 -6.917 -0.631 1.00 6.49 C ATOM 1094 NH1 ARG A 69 35.729 -6.553 -1.899 1.00 7.00 N ATOM 1095 NH2 ARG A 69 36.827 -6.367 0.106 1.00 6.63 N ATOM 0 H ARG A 69 34.560 -8.932 1.309 1.00 4.80 H new ATOM 0 HA ARG A 69 32.371 -8.576 2.931 1.00 4.60 H new ATOM 0 HB2 ARG A 69 31.547 -7.120 1.181 1.00 4.95 H new ATOM 0 HB3 ARG A 69 33.288 -6.946 1.291 1.00 4.95 H new ATOM 0 HG2 ARG A 69 31.848 -8.647 -0.781 1.00 5.58 H new ATOM 0 HG3 ARG A 69 32.435 -7.019 -1.058 1.00 5.58 H new ATOM 0 HD2 ARG A 69 34.010 -9.556 -0.640 1.00 5.81 H new ATOM 0 HD3 ARG A 69 34.160 -8.364 -1.915 1.00 5.81 H new ATOM 0 HE ARG A 69 35.188 -8.075 0.878 1.00 5.91 H new ATOM 0 HH11 ARG A 69 34.993 -6.970 -2.469 1.00 7.00 H new ATOM 0 HH12 ARG A 69 36.355 -5.856 -2.303 1.00 7.00 H new ATOM 0 HH21 ARG A 69 36.939 -6.640 1.082 1.00 6.63 H new ATOM 0 HH22 ARG A 69 37.450 -5.671 -0.303 1.00 6.63 H new ATOM 1109 N LYS A 70 31.848 -10.893 0.724 1.00 5.09 N ATOM 1110 CA LYS A 70 30.878 -11.909 0.328 1.00 5.26 C ATOM 1111 C LYS A 70 30.201 -12.479 1.572 1.00 4.89 C ATOM 1112 O LYS A 70 29.027 -12.845 1.546 1.00 4.81 O ATOM 1113 CB LYS A 70 31.560 -13.028 -0.462 1.00 5.77 C ATOM 1114 CG LYS A 70 30.820 -14.357 -0.410 1.00 5.89 C ATOM 1115 CD LYS A 70 31.339 -15.320 -1.466 1.00 6.19 C ATOM 1116 CE LYS A 70 30.891 -14.912 -2.861 1.00 6.65 C ATOM 1117 NZ LYS A 70 31.404 -15.840 -3.905 1.00 6.82 N ATOM 0 H LYS A 70 32.793 -11.039 0.370 1.00 5.09 H new ATOM 0 HA LYS A 70 30.127 -11.449 -0.314 1.00 5.26 H new ATOM 0 HB2 LYS A 70 31.658 -12.718 -1.502 1.00 5.77 H new ATOM 0 HB3 LYS A 70 32.569 -13.170 -0.076 1.00 5.77 H new ATOM 0 HG2 LYS A 70 30.935 -14.801 0.579 1.00 5.89 H new ATOM 0 HG3 LYS A 70 29.754 -14.188 -0.561 1.00 5.89 H new ATOM 0 HD2 LYS A 70 32.428 -15.352 -1.427 1.00 6.19 H new ATOM 0 HD3 LYS A 70 30.983 -16.327 -1.248 1.00 6.19 H new ATOM 0 HE2 LYS A 70 29.802 -14.889 -2.900 1.00 6.65 H new ATOM 0 HE3 LYS A 70 31.239 -13.901 -3.072 1.00 6.65 H new ATOM 0 HZ1 LYS A 70 31.076 -15.526 -4.840 1.00 6.82 H new ATOM 0 HZ2 LYS A 70 32.444 -15.843 -3.886 1.00 6.82 H new ATOM 0 HZ3 LYS A 70 31.052 -16.801 -3.719 1.00 6.82 H new ATOM 1131 N ALA A 71 30.958 -12.555 2.660 1.00 4.71 N ATOM 1132 CA ALA A 71 30.437 -13.047 3.926 1.00 4.41 C ATOM 1133 C ALA A 71 29.331 -12.130 4.420 1.00 3.94 C ATOM 1134 O ALA A 71 28.354 -12.571 5.024 1.00 3.77 O ATOM 1135 CB ALA A 71 31.552 -13.113 4.967 1.00 4.40 C ATOM 0 H ALA A 71 31.940 -12.280 2.689 1.00 4.71 H new ATOM 0 HA ALA A 71 30.035 -14.049 3.774 1.00 4.41 H new ATOM 0 HB1 ALA A 71 31.148 -13.483 5.910 1.00 4.40 H new ATOM 0 HB2 ALA A 71 32.335 -13.786 4.619 1.00 4.40 H new ATOM 0 HB3 ALA A 71 31.969 -12.117 5.117 1.00 4.40 H new ATOM 1141 N ALA A 72 29.490 -10.851 4.118 1.00 3.78 N ATOM 1142 CA ALA A 72 28.556 -9.818 4.537 1.00 3.40 C ATOM 1143 C ALA A 72 27.116 -10.134 4.146 1.00 3.51 C ATOM 1144 O ALA A 72 26.179 -9.663 4.789 1.00 3.28 O ATOM 1145 CB ALA A 72 28.975 -8.481 3.953 1.00 3.39 C ATOM 0 H ALA A 72 30.276 -10.498 3.572 1.00 3.78 H new ATOM 0 HA ALA A 72 28.586 -9.775 5.626 1.00 3.40 H new ATOM 0 HB1 ALA A 72 28.273 -7.710 4.269 1.00 3.39 H new ATOM 0 HB2 ALA A 72 29.975 -8.228 4.305 1.00 3.39 H new ATOM 0 HB3 ALA A 72 28.979 -8.544 2.865 1.00 3.39 H new ATOM 1151 N LEU A 73 26.935 -10.911 3.082 1.00 3.95 N ATOM 1152 CA LEU A 73 25.593 -11.266 2.628 1.00 4.16 C ATOM 1153 C LEU A 73 24.786 -11.896 3.764 1.00 4.02 C ATOM 1154 O LEU A 73 23.590 -11.645 3.902 1.00 3.99 O ATOM 1155 CB LEU A 73 25.666 -12.222 1.436 1.00 4.66 C ATOM 1156 CG LEU A 73 26.554 -11.752 0.277 1.00 4.93 C ATOM 1157 CD1 LEU A 73 26.565 -12.788 -0.835 1.00 5.43 C ATOM 1158 CD2 LEU A 73 26.087 -10.404 -0.253 1.00 4.92 C ATOM 0 H LEU A 73 27.692 -11.304 2.522 1.00 3.95 H new ATOM 0 HA LEU A 73 25.088 -10.353 2.312 1.00 4.16 H new ATOM 0 HB2 LEU A 73 26.033 -13.187 1.786 1.00 4.66 H new ATOM 0 HB3 LEU A 73 24.657 -12.383 1.057 1.00 4.66 H new ATOM 0 HG LEU A 73 27.571 -11.634 0.652 1.00 4.93 H new ATOM 0 HD11 LEU A 73 27.199 -12.440 -1.650 1.00 5.43 H new ATOM 0 HD12 LEU A 73 26.953 -13.731 -0.450 1.00 5.43 H new ATOM 0 HD13 LEU A 73 25.550 -12.937 -1.203 1.00 5.43 H new ATOM 0 HD21 LEU A 73 26.733 -10.092 -1.074 1.00 4.92 H new ATOM 0 HD22 LEU A 73 25.061 -10.489 -0.610 1.00 4.92 H new ATOM 0 HD23 LEU A 73 26.133 -9.663 0.546 1.00 4.92 H new ATOM 1170 N GLU A 74 25.446 -12.708 4.583 1.00 4.00 N ATOM 1171 CA GLU A 74 24.782 -13.354 5.710 1.00 3.94 C ATOM 1172 C GLU A 74 24.425 -12.321 6.776 1.00 3.55 C ATOM 1173 O GLU A 74 23.445 -12.478 7.506 1.00 3.57 O ATOM 1174 CB GLU A 74 25.677 -14.447 6.305 1.00 4.07 C ATOM 1175 CG GLU A 74 26.649 -15.065 5.307 1.00 4.42 C ATOM 1176 CD GLU A 74 26.936 -16.524 5.601 1.00 4.73 C ATOM 1177 OE1 GLU A 74 27.851 -16.797 6.408 1.00 4.77 O ATOM 1178 OE2 GLU A 74 26.249 -17.394 5.026 1.00 4.99 O ATOM 0 H GLU A 74 26.436 -12.934 4.488 1.00 4.00 H new ATOM 0 HA GLU A 74 23.863 -13.818 5.352 1.00 3.94 H new ATOM 0 HB2 GLU A 74 26.244 -14.026 7.135 1.00 4.07 H new ATOM 0 HB3 GLU A 74 25.046 -15.234 6.717 1.00 4.07 H new ATOM 0 HG2 GLU A 74 26.238 -14.975 4.301 1.00 4.42 H new ATOM 0 HG3 GLU A 74 27.584 -14.505 5.321 1.00 4.42 H new ATOM 1185 N ALA A 75 25.227 -11.260 6.857 1.00 3.24 N ATOM 1186 CA ALA A 75 24.994 -10.187 7.814 1.00 2.89 C ATOM 1187 C ALA A 75 23.669 -9.502 7.530 1.00 2.95 C ATOM 1188 O ALA A 75 23.042 -8.948 8.431 1.00 2.87 O ATOM 1189 CB ALA A 75 26.138 -9.187 7.780 1.00 2.61 C ATOM 0 H ALA A 75 26.047 -11.123 6.266 1.00 3.24 H new ATOM 0 HA ALA A 75 24.948 -10.617 8.815 1.00 2.89 H new ATOM 0 HB1 ALA A 75 25.948 -8.392 8.501 1.00 2.61 H new ATOM 0 HB2 ALA A 75 27.070 -9.692 8.034 1.00 2.61 H new ATOM 0 HB3 ALA A 75 26.218 -8.759 6.781 1.00 2.61 H new ATOM 1195 N GLN A 76 23.251 -9.538 6.266 1.00 3.20 N ATOM 1196 CA GLN A 76 21.993 -8.925 5.871 1.00 3.38 C ATOM 1197 C GLN A 76 20.865 -9.479 6.728 1.00 3.55 C ATOM 1198 O GLN A 76 19.995 -8.743 7.187 1.00 3.58 O ATOM 1199 CB GLN A 76 21.709 -9.197 4.390 1.00 3.75 C ATOM 1200 CG GLN A 76 22.882 -8.877 3.481 1.00 3.74 C ATOM 1201 CD GLN A 76 23.314 -7.434 3.582 1.00 3.45 C ATOM 1202 OE1 GLN A 76 22.904 -6.594 2.783 1.00 3.63 O ATOM 1203 NE2 GLN A 76 24.137 -7.138 4.581 1.00 3.07 N ATOM 0 H GLN A 76 23.764 -9.983 5.505 1.00 3.20 H new ATOM 0 HA GLN A 76 22.062 -7.847 6.018 1.00 3.38 H new ATOM 0 HB2 GLN A 76 21.439 -10.246 4.266 1.00 3.75 H new ATOM 0 HB3 GLN A 76 20.847 -8.607 4.079 1.00 3.75 H new ATOM 0 HG2 GLN A 76 23.722 -9.523 3.736 1.00 3.74 H new ATOM 0 HG3 GLN A 76 22.610 -9.100 2.449 1.00 3.74 H new ATOM 0 HE21 GLN A 76 24.450 -7.870 5.218 1.00 3.07 H new ATOM 0 HE22 GLN A 76 24.457 -6.178 4.711 1.00 3.07 H new ATOM 1212 N ASN A 77 20.921 -10.782 6.971 1.00 3.74 N ATOM 1213 CA ASN A 77 19.914 -11.454 7.775 1.00 3.96 C ATOM 1214 C ASN A 77 19.772 -10.760 9.128 1.00 3.80 C ATOM 1215 O ASN A 77 18.674 -10.655 9.674 1.00 3.98 O ATOM 1216 CB ASN A 77 20.302 -12.922 7.970 1.00 4.24 C ATOM 1217 CG ASN A 77 19.095 -13.818 8.160 1.00 4.49 C ATOM 1218 OD1 ASN A 77 18.645 -14.043 9.284 1.00 4.84 O ATOM 1219 ND2 ASN A 77 18.558 -14.333 7.059 1.00 4.70 N ATOM 0 H ASN A 77 21.657 -11.395 6.620 1.00 3.74 H new ATOM 0 HA ASN A 77 18.955 -11.407 7.258 1.00 3.96 H new ATOM 0 HB2 ASN A 77 20.871 -13.262 7.105 1.00 4.24 H new ATOM 0 HB3 ASN A 77 20.957 -13.010 8.837 1.00 4.24 H new ATOM 0 HD21 ASN A 77 17.741 -14.940 7.126 1.00 4.70 H new ATOM 0 HD22 ASN A 77 18.962 -14.121 6.147 1.00 4.70 H new ATOM 1226 N ALA A 78 20.899 -10.291 9.657 1.00 3.52 N ATOM 1227 CA ALA A 78 20.924 -9.600 10.939 1.00 3.42 C ATOM 1228 C ALA A 78 20.417 -8.159 10.825 1.00 3.30 C ATOM 1229 O ALA A 78 19.723 -7.670 11.717 1.00 3.41 O ATOM 1230 CB ALA A 78 22.335 -9.618 11.510 1.00 3.23 C ATOM 0 H ALA A 78 21.813 -10.379 9.212 1.00 3.52 H new ATOM 0 HA ALA A 78 20.250 -10.129 11.613 1.00 3.42 H new ATOM 0 HB1 ALA A 78 22.346 -9.099 12.469 1.00 3.23 H new ATOM 0 HB2 ALA A 78 22.657 -10.650 11.652 1.00 3.23 H new ATOM 0 HB3 ALA A 78 23.014 -9.118 10.819 1.00 3.23 H new ATOM 1236 N LEU A 79 20.761 -7.484 9.726 1.00 3.16 N ATOM 1237 CA LEU A 79 20.360 -6.092 9.528 1.00 3.14 C ATOM 1238 C LEU A 79 19.738 -5.854 8.156 1.00 3.35 C ATOM 1239 O LEU A 79 18.631 -5.327 8.065 1.00 3.66 O ATOM 1240 CB LEU A 79 21.576 -5.185 9.722 1.00 2.85 C ATOM 1241 CG LEU A 79 22.895 -5.727 9.156 1.00 2.57 C ATOM 1242 CD1 LEU A 79 23.215 -5.069 7.822 1.00 2.41 C ATOM 1243 CD2 LEU A 79 24.024 -5.497 10.148 1.00 2.50 C ATOM 0 H LEU A 79 21.313 -7.877 8.964 1.00 3.16 H new ATOM 0 HA LEU A 79 19.594 -5.857 10.266 1.00 3.14 H new ATOM 0 HB2 LEU A 79 21.368 -4.222 9.256 1.00 2.85 H new ATOM 0 HB3 LEU A 79 21.705 -5.002 10.789 1.00 2.85 H new ATOM 0 HG LEU A 79 22.788 -6.799 8.991 1.00 2.57 H new ATOM 0 HD11 LEU A 79 24.154 -5.466 7.436 1.00 2.41 H new ATOM 0 HD12 LEU A 79 22.414 -5.277 7.112 1.00 2.41 H new ATOM 0 HD13 LEU A 79 23.306 -3.992 7.960 1.00 2.41 H new ATOM 0 HD21 LEU A 79 24.955 -5.886 9.736 1.00 2.50 H new ATOM 0 HD22 LEU A 79 24.129 -4.429 10.338 1.00 2.50 H new ATOM 0 HD23 LEU A 79 23.798 -6.011 11.082 1.00 2.50 H new ATOM 1255 N HIS A 80 20.454 -6.225 7.096 1.00 3.27 N ATOM 1256 CA HIS A 80 19.959 -6.033 5.734 1.00 3.53 C ATOM 1257 C HIS A 80 19.953 -4.546 5.393 1.00 3.49 C ATOM 1258 O HIS A 80 20.268 -3.711 6.244 1.00 3.37 O ATOM 1259 CB HIS A 80 18.548 -6.617 5.584 1.00 3.94 C ATOM 1260 CG HIS A 80 18.217 -7.078 4.198 1.00 4.25 C ATOM 1261 ND1 HIS A 80 17.593 -6.277 3.264 1.00 4.68 N ATOM 1262 CD2 HIS A 80 18.408 -8.275 3.594 1.00 4.44 C ATOM 1263 CE1 HIS A 80 17.416 -6.961 2.148 1.00 4.89 C ATOM 1264 NE2 HIS A 80 17.903 -8.175 2.322 1.00 4.71 N ATOM 0 H HIS A 80 21.375 -6.659 7.153 1.00 3.27 H new ATOM 0 HA HIS A 80 20.620 -6.556 5.044 1.00 3.53 H new ATOM 0 HB2 HIS A 80 18.440 -7.458 6.270 1.00 3.94 H new ATOM 0 HB3 HIS A 80 17.821 -5.863 5.887 1.00 3.94 H new ATOM 0 HD2 HIS A 80 18.872 -9.146 4.032 1.00 4.44 H new ATOM 0 HE1 HIS A 80 16.952 -6.590 1.246 1.00 4.89 H new ATOM 0 HE2 HIS A 80 17.904 -8.919 1.624 1.00 4.71 H new ATOM 1273 N ASN A 81 19.600 -4.208 4.158 1.00 3.77 N ATOM 1274 CA ASN A 81 19.563 -2.809 3.740 1.00 3.89 C ATOM 1275 C ASN A 81 18.618 -2.004 4.620 1.00 3.88 C ATOM 1276 O ASN A 81 18.698 -0.775 4.668 1.00 4.01 O ATOM 1277 CB ASN A 81 19.138 -2.683 2.280 1.00 4.31 C ATOM 1278 CG ASN A 81 19.943 -3.576 1.357 1.00 4.75 C ATOM 1279 OD1 ASN A 81 19.441 -4.780 1.113 1.00 4.86 O flip ATOM 1280 ND2 ASN A 81 21.003 -3.186 0.865 1.00 5.40 N flip ATOM 0 H ASN A 81 19.337 -4.876 3.433 1.00 3.77 H new ATOM 0 HA ASN A 81 20.572 -2.410 3.847 1.00 3.89 H new ATOM 0 HB2 ASN A 81 18.081 -2.934 2.191 1.00 4.31 H new ATOM 0 HB3 ASN A 81 19.248 -1.646 1.962 1.00 4.31 H new ATOM 0 HD21 ASN A 81 21.352 -2.252 1.080 1.00 5.40 H new ATOM 0 HD22 ASN A 81 21.532 -3.797 0.243 1.00 5.40 H new ATOM 1287 N MET A 82 17.727 -2.697 5.323 1.00 3.89 N ATOM 1288 CA MET A 82 16.766 -2.025 6.186 1.00 4.02 C ATOM 1289 C MET A 82 16.845 -2.523 7.625 1.00 3.90 C ATOM 1290 O MET A 82 16.668 -3.709 7.904 1.00 4.17 O ATOM 1291 CB MET A 82 15.353 -2.248 5.650 1.00 4.60 C ATOM 1292 CG MET A 82 15.058 -3.700 5.312 1.00 4.89 C ATOM 1293 SD MET A 82 13.291 -4.043 5.198 1.00 5.67 S ATOM 1294 CE MET A 82 13.303 -5.813 4.927 1.00 5.71 C ATOM 0 H MET A 82 17.652 -3.714 5.312 1.00 3.89 H new ATOM 0 HA MET A 82 17.008 -0.962 6.186 1.00 4.02 H new ATOM 0 HB2 MET A 82 14.632 -1.902 6.391 1.00 4.60 H new ATOM 0 HB3 MET A 82 15.211 -1.639 4.757 1.00 4.60 H new ATOM 0 HG2 MET A 82 15.535 -3.952 4.365 1.00 4.89 H new ATOM 0 HG3 MET A 82 15.500 -4.343 6.073 1.00 4.89 H new ATOM 0 HE1 MET A 82 12.279 -6.174 4.836 1.00 5.71 H new ATOM 0 HE2 MET A 82 13.849 -6.037 4.011 1.00 5.71 H new ATOM 0 HE3 MET A 82 13.788 -6.307 5.769 1.00 5.71 H new ATOM 1304 N LYS A 83 17.102 -1.591 8.532 1.00 3.68 N ATOM 1305 CA LYS A 83 17.182 -1.877 9.958 1.00 3.64 C ATOM 1306 C LYS A 83 16.679 -0.668 10.734 1.00 3.70 C ATOM 1307 O LYS A 83 16.892 0.468 10.307 1.00 3.74 O ATOM 1308 CB LYS A 83 18.616 -2.201 10.368 1.00 3.51 C ATOM 1309 CG LYS A 83 18.700 -3.101 11.588 1.00 3.75 C ATOM 1310 CD LYS A 83 20.004 -2.898 12.333 1.00 3.35 C ATOM 1311 CE LYS A 83 20.224 -3.978 13.381 1.00 3.68 C ATOM 1312 NZ LYS A 83 19.110 -4.032 14.368 1.00 4.16 N ATOM 0 H LYS A 83 17.262 -0.611 8.299 1.00 3.68 H new ATOM 0 HA LYS A 83 16.563 -2.746 10.182 1.00 3.64 H new ATOM 0 HB2 LYS A 83 19.126 -2.682 9.533 1.00 3.51 H new ATOM 0 HB3 LYS A 83 19.147 -1.272 10.573 1.00 3.51 H new ATOM 0 HG2 LYS A 83 17.862 -2.894 12.254 1.00 3.75 H new ATOM 0 HG3 LYS A 83 18.613 -4.143 11.281 1.00 3.75 H new ATOM 0 HD2 LYS A 83 20.833 -2.903 11.625 1.00 3.35 H new ATOM 0 HD3 LYS A 83 20.001 -1.919 12.813 1.00 3.35 H new ATOM 0 HE2 LYS A 83 20.320 -4.946 12.889 1.00 3.68 H new ATOM 0 HE3 LYS A 83 21.162 -3.791 13.903 1.00 3.68 H new ATOM 0 HZ1 LYS A 83 19.475 -4.359 15.285 1.00 4.16 H new ATOM 0 HZ2 LYS A 83 18.697 -3.084 14.478 1.00 4.16 H new ATOM 0 HZ3 LYS A 83 18.379 -4.691 14.031 1.00 4.16 H new ATOM 1326 N VAL A 84 16.015 -0.890 11.863 1.00 4.00 N ATOM 1327 CA VAL A 84 15.503 0.233 12.636 1.00 4.21 C ATOM 1328 C VAL A 84 15.731 0.078 14.138 1.00 4.29 C ATOM 1329 O VAL A 84 15.314 -0.902 14.757 1.00 4.68 O ATOM 1330 CB VAL A 84 14.002 0.458 12.366 1.00 4.91 C ATOM 1331 CG1 VAL A 84 13.190 -0.768 12.760 1.00 5.39 C ATOM 1332 CG2 VAL A 84 13.508 1.696 13.098 1.00 5.32 C ATOM 0 H VAL A 84 15.823 -1.812 12.255 1.00 4.00 H new ATOM 0 HA VAL A 84 16.069 1.103 12.304 1.00 4.21 H new ATOM 0 HB VAL A 84 13.867 0.618 11.296 1.00 4.91 H new ATOM 0 HG11 VAL A 84 12.134 -0.585 12.560 1.00 5.39 H new ATOM 0 HG12 VAL A 84 13.525 -1.628 12.180 1.00 5.39 H new ATOM 0 HG13 VAL A 84 13.328 -0.970 13.822 1.00 5.39 H new ATOM 0 HG21 VAL A 84 12.447 1.839 12.896 1.00 5.32 H new ATOM 0 HG22 VAL A 84 13.659 1.569 14.170 1.00 5.32 H new ATOM 0 HG23 VAL A 84 14.064 2.568 12.754 1.00 5.32 H new ATOM 1342 N LEU A 85 16.415 1.066 14.699 1.00 4.15 N ATOM 1343 CA LEU A 85 16.699 1.126 16.126 1.00 4.34 C ATOM 1344 C LEU A 85 15.915 2.283 16.747 1.00 4.70 C ATOM 1345 O LEU A 85 15.620 3.255 16.053 1.00 4.80 O ATOM 1346 CB LEU A 85 18.200 1.274 16.393 1.00 4.21 C ATOM 1347 CG LEU A 85 18.980 -0.046 16.409 1.00 4.11 C ATOM 1348 CD1 LEU A 85 19.376 -0.457 15.000 1.00 3.90 C ATOM 1349 CD2 LEU A 85 20.197 0.059 17.316 1.00 4.45 C ATOM 0 H LEU A 85 16.791 1.854 14.172 1.00 4.15 H new ATOM 0 HA LEU A 85 16.385 0.189 16.587 1.00 4.34 H new ATOM 0 HB2 LEU A 85 18.629 1.925 15.631 1.00 4.21 H new ATOM 0 HB3 LEU A 85 18.337 1.773 17.352 1.00 4.21 H new ATOM 0 HG LEU A 85 18.330 -0.823 16.811 1.00 4.11 H new ATOM 0 HD11 LEU A 85 19.928 -1.396 15.037 1.00 3.90 H new ATOM 0 HD12 LEU A 85 18.480 -0.586 14.393 1.00 3.90 H new ATOM 0 HD13 LEU A 85 20.004 0.316 14.558 1.00 3.90 H new ATOM 0 HD21 LEU A 85 20.736 -0.888 17.313 1.00 4.45 H new ATOM 0 HD22 LEU A 85 20.853 0.851 16.955 1.00 4.45 H new ATOM 0 HD23 LEU A 85 19.875 0.290 18.331 1.00 4.45 H new ATOM 1361 N PRO A 86 15.549 2.183 18.045 1.00 5.11 N ATOM 1362 CA PRO A 86 14.776 3.190 18.764 1.00 5.57 C ATOM 1363 C PRO A 86 14.731 4.554 18.076 1.00 5.64 C ATOM 1364 O PRO A 86 13.652 5.091 17.822 1.00 5.96 O ATOM 1365 CB PRO A 86 15.529 3.252 20.094 1.00 5.85 C ATOM 1366 CG PRO A 86 16.169 1.895 20.256 1.00 5.81 C ATOM 1367 CD PRO A 86 15.930 1.122 18.974 1.00 5.38 C ATOM 0 HA PRO A 86 13.720 2.932 18.842 1.00 5.57 H new ATOM 0 HB2 PRO A 86 16.280 4.042 20.084 1.00 5.85 H new ATOM 0 HB3 PRO A 86 14.851 3.468 20.920 1.00 5.85 H new ATOM 0 HG2 PRO A 86 17.237 1.996 20.450 1.00 5.81 H new ATOM 0 HG3 PRO A 86 15.739 1.368 21.107 1.00 5.81 H new ATOM 0 HD2 PRO A 86 16.824 0.593 18.644 1.00 5.38 H new ATOM 0 HD3 PRO A 86 15.142 0.377 19.088 1.00 5.38 H new ATOM 1375 N GLY A 87 15.900 5.113 17.774 1.00 5.51 N ATOM 1376 CA GLY A 87 15.953 6.397 17.099 1.00 5.74 C ATOM 1377 C GLY A 87 16.496 7.515 17.967 1.00 6.21 C ATOM 1378 O GLY A 87 16.830 8.588 17.466 1.00 6.52 O ATOM 0 H GLY A 87 16.809 4.700 17.984 1.00 5.51 H new ATOM 0 HA2 GLY A 87 16.575 6.305 16.208 1.00 5.74 H new ATOM 0 HA3 GLY A 87 14.951 6.663 16.762 1.00 5.74 H new ATOM 1382 N MET A 88 16.587 7.268 19.269 1.00 6.40 N ATOM 1383 CA MET A 88 17.094 8.268 20.200 1.00 6.91 C ATOM 1384 C MET A 88 18.563 8.574 19.923 1.00 6.86 C ATOM 1385 O MET A 88 19.126 8.120 18.926 1.00 7.07 O ATOM 1386 CB MET A 88 16.916 7.794 21.645 1.00 7.26 C ATOM 1387 CG MET A 88 15.467 7.780 22.108 1.00 7.46 C ATOM 1388 SD MET A 88 14.455 6.590 21.208 1.00 7.81 S ATOM 1389 CE MET A 88 12.838 6.923 21.904 1.00 8.29 C ATOM 0 H MET A 88 16.317 6.385 19.703 1.00 6.40 H new ATOM 0 HA MET A 88 16.520 9.184 20.058 1.00 6.91 H new ATOM 0 HB2 MET A 88 17.329 6.790 21.743 1.00 7.26 H new ATOM 0 HB3 MET A 88 17.493 8.442 22.305 1.00 7.26 H new ATOM 0 HG2 MET A 88 15.433 7.547 23.172 1.00 7.46 H new ATOM 0 HG3 MET A 88 15.042 8.776 21.986 1.00 7.46 H new ATOM 0 HE1 MET A 88 12.102 6.263 21.446 1.00 8.29 H new ATOM 0 HE2 MET A 88 12.862 6.749 22.980 1.00 8.29 H new ATOM 0 HE3 MET A 88 12.565 7.960 21.711 1.00 8.29 H new ATOM 1399 N HIS A 89 19.181 9.346 20.811 1.00 6.83 N ATOM 1400 CA HIS A 89 20.586 9.712 20.658 1.00 6.90 C ATOM 1401 C HIS A 89 21.500 8.597 21.158 1.00 6.45 C ATOM 1402 O HIS A 89 22.724 8.724 21.126 1.00 6.58 O ATOM 1403 CB HIS A 89 20.877 11.007 21.417 1.00 7.63 C ATOM 1404 CG HIS A 89 20.095 12.182 20.916 1.00 8.02 C ATOM 1405 ND1 HIS A 89 20.632 13.148 20.089 1.00 8.70 N ATOM 1406 CD2 HIS A 89 18.806 12.545 21.127 1.00 8.06 C ATOM 1407 CE1 HIS A 89 19.708 14.052 19.815 1.00 9.11 C ATOM 1408 NE2 HIS A 89 18.592 13.710 20.431 1.00 8.74 N ATOM 0 H HIS A 89 18.733 9.730 21.643 1.00 6.83 H new ATOM 0 HA HIS A 89 20.784 9.866 19.597 1.00 6.90 H new ATOM 0 HB2 HIS A 89 20.655 10.857 22.474 1.00 7.63 H new ATOM 0 HB3 HIS A 89 21.941 11.231 21.343 1.00 7.63 H new ATOM 0 HD2 HIS A 89 18.082 12.017 21.730 1.00 8.06 H new ATOM 0 HE1 HIS A 89 19.843 14.924 19.192 1.00 9.11 H new ATOM 0 HE2 HIS A 89 17.713 14.227 20.396 1.00 8.74 H new ATOM 1417 N HIS A 90 20.896 7.506 21.619 1.00 6.08 N ATOM 1418 CA HIS A 90 21.651 6.366 22.128 1.00 5.77 C ATOM 1419 C HIS A 90 21.813 5.261 21.076 1.00 5.44 C ATOM 1420 O HIS A 90 22.916 4.750 20.887 1.00 5.60 O ATOM 1421 CB HIS A 90 20.979 5.796 23.381 1.00 6.09 C ATOM 1422 CG HIS A 90 21.094 6.685 24.581 1.00 6.55 C ATOM 1423 ND1 HIS A 90 20.023 7.366 25.122 1.00 7.04 N ATOM 1424 CD2 HIS A 90 22.164 6.997 25.352 1.00 6.91 C ATOM 1425 CE1 HIS A 90 20.429 8.059 26.172 1.00 7.58 C ATOM 1426 NE2 HIS A 90 21.722 7.851 26.333 1.00 7.51 N ATOM 0 H HIS A 90 19.883 7.387 21.651 1.00 6.08 H new ATOM 0 HA HIS A 90 22.647 6.730 22.381 1.00 5.77 H new ATOM 0 HB2 HIS A 90 19.924 5.620 23.169 1.00 6.09 H new ATOM 0 HB3 HIS A 90 21.423 4.828 23.613 1.00 6.09 H new ATOM 0 HD2 HIS A 90 23.175 6.641 25.220 1.00 6.91 H new ATOM 0 HE1 HIS A 90 19.808 8.688 26.792 1.00 7.58 H new ATOM 0 HE2 HIS A 90 22.300 8.259 27.068 1.00 7.51 H new ATOM 1435 N PRO A 91 20.723 4.867 20.373 1.00 5.15 N ATOM 1436 CA PRO A 91 20.781 3.807 19.355 1.00 4.98 C ATOM 1437 C PRO A 91 21.845 4.039 18.283 1.00 4.84 C ATOM 1438 O PRO A 91 22.522 5.068 18.259 1.00 5.14 O ATOM 1439 CB PRO A 91 19.385 3.822 18.719 1.00 5.10 C ATOM 1440 CG PRO A 91 18.768 5.102 19.158 1.00 5.17 C ATOM 1441 CD PRO A 91 19.355 5.392 20.506 1.00 5.17 C ATOM 0 HA PRO A 91 21.054 2.856 19.812 1.00 4.98 H new ATOM 0 HB2 PRO A 91 19.447 3.768 17.632 1.00 5.10 H new ATOM 0 HB3 PRO A 91 18.794 2.967 19.048 1.00 5.10 H new ATOM 0 HG2 PRO A 91 18.988 5.905 18.454 1.00 5.17 H new ATOM 0 HG3 PRO A 91 17.683 5.015 19.214 1.00 5.17 H new ATOM 0 HD2 PRO A 91 19.349 6.459 20.731 1.00 5.17 H new ATOM 0 HD3 PRO A 91 18.805 4.895 21.305 1.00 5.17 H new ATOM 1449 N ILE A 92 21.961 3.058 17.398 1.00 4.52 N ATOM 1450 CA ILE A 92 22.924 3.075 16.305 1.00 4.42 C ATOM 1451 C ILE A 92 22.320 2.395 15.076 1.00 3.99 C ATOM 1452 O ILE A 92 21.455 1.539 15.212 1.00 3.99 O ATOM 1453 CB ILE A 92 24.253 2.394 16.696 1.00 4.77 C ATOM 1454 CG1 ILE A 92 24.026 0.958 17.198 1.00 4.68 C ATOM 1455 CG2 ILE A 92 24.955 3.206 17.773 1.00 5.46 C ATOM 1456 CD1 ILE A 92 23.728 -0.055 16.112 1.00 4.43 C ATOM 0 H ILE A 92 21.382 2.218 17.419 1.00 4.52 H new ATOM 0 HA ILE A 92 23.150 4.116 16.073 1.00 4.42 H new ATOM 0 HB ILE A 92 24.877 2.347 15.804 1.00 4.77 H new ATOM 0 HG12 ILE A 92 24.912 0.635 17.744 1.00 4.68 H new ATOM 0 HG13 ILE A 92 23.199 0.963 17.908 1.00 4.68 H new ATOM 0 HG21 ILE A 92 25.892 2.719 18.043 1.00 5.46 H new ATOM 0 HG22 ILE A 92 25.162 4.208 17.396 1.00 5.46 H new ATOM 0 HG23 ILE A 92 24.315 3.274 18.652 1.00 5.46 H new ATOM 0 HD11 ILE A 92 23.583 -1.038 16.561 1.00 4.43 H new ATOM 0 HD12 ILE A 92 22.823 0.238 15.580 1.00 4.43 H new ATOM 0 HD13 ILE A 92 24.563 -0.095 15.413 1.00 4.43 H new ATOM 1468 N GLN A 93 22.748 2.776 13.880 1.00 3.75 N ATOM 1469 CA GLN A 93 22.177 2.182 12.670 1.00 3.44 C ATOM 1470 C GLN A 93 23.232 1.473 11.819 1.00 3.12 C ATOM 1471 O GLN A 93 24.297 2.025 11.535 1.00 3.04 O ATOM 1472 CB GLN A 93 21.487 3.268 11.839 1.00 3.51 C ATOM 1473 CG GLN A 93 20.270 3.878 12.519 1.00 3.77 C ATOM 1474 CD GLN A 93 18.996 3.084 12.283 1.00 3.84 C ATOM 1475 OE1 GLN A 93 19.128 1.771 12.123 1.00 4.15 O flip ATOM 1476 NE2 GLN A 93 17.902 3.647 12.247 1.00 4.02 N flip ATOM 0 H GLN A 93 23.471 3.477 13.718 1.00 3.75 H new ATOM 0 HA GLN A 93 21.452 1.431 12.984 1.00 3.44 H new ATOM 0 HB2 GLN A 93 22.205 4.059 11.622 1.00 3.51 H new ATOM 0 HB3 GLN A 93 21.183 2.843 10.883 1.00 3.51 H new ATOM 0 HG2 GLN A 93 20.456 3.946 13.591 1.00 3.77 H new ATOM 0 HG3 GLN A 93 20.130 4.896 12.155 1.00 3.77 H new ATOM 0 HE21 GLN A 93 17.844 4.657 12.375 1.00 4.02 H new ATOM 0 HE22 GLN A 93 17.054 3.103 12.090 1.00 4.02 H new ATOM 1485 N MET A 94 22.907 0.239 11.410 1.00 3.01 N ATOM 1486 CA MET A 94 23.804 -0.575 10.586 1.00 2.75 C ATOM 1487 C MET A 94 23.114 -0.999 9.300 1.00 2.77 C ATOM 1488 O MET A 94 22.041 -1.604 9.323 1.00 2.91 O ATOM 1489 CB MET A 94 24.255 -1.829 11.334 1.00 2.65 C ATOM 1490 CG MET A 94 25.604 -2.352 10.867 1.00 2.30 C ATOM 1491 SD MET A 94 26.988 -1.454 11.593 1.00 2.33 S ATOM 1492 CE MET A 94 26.822 -1.918 13.316 1.00 2.41 C ATOM 0 H MET A 94 22.024 -0.217 11.639 1.00 3.01 H new ATOM 0 HA MET A 94 24.674 0.039 10.354 1.00 2.75 H new ATOM 0 HB2 MET A 94 24.307 -1.609 12.400 1.00 2.65 H new ATOM 0 HB3 MET A 94 23.506 -2.610 11.206 1.00 2.65 H new ATOM 0 HG2 MET A 94 25.688 -3.408 11.122 1.00 2.30 H new ATOM 0 HG3 MET A 94 25.660 -2.281 9.781 1.00 2.30 H new ATOM 0 HE1 MET A 94 27.790 -1.837 13.810 1.00 2.41 H new ATOM 0 HE2 MET A 94 26.109 -1.254 13.805 1.00 2.41 H new ATOM 0 HE3 MET A 94 26.466 -2.946 13.383 1.00 2.41 H new ATOM 1502 N LYS A 95 23.740 -0.678 8.181 1.00 2.73 N ATOM 1503 CA LYS A 95 23.201 -1.008 6.871 1.00 2.87 C ATOM 1504 C LYS A 95 24.351 -1.369 5.953 1.00 2.75 C ATOM 1505 O LYS A 95 25.478 -0.983 6.225 1.00 2.63 O ATOM 1506 CB LYS A 95 22.296 0.093 6.313 1.00 3.24 C ATOM 1507 CG LYS A 95 22.933 1.461 6.252 1.00 3.26 C ATOM 1508 CD LYS A 95 21.946 2.555 6.628 1.00 3.68 C ATOM 1509 CE LYS A 95 21.669 2.568 8.124 1.00 3.80 C ATOM 1510 NZ LYS A 95 20.716 3.648 8.503 1.00 4.40 N ATOM 0 H LYS A 95 24.632 -0.184 8.153 1.00 2.73 H new ATOM 0 HA LYS A 95 22.543 -1.873 6.956 1.00 2.87 H new ATOM 0 HB2 LYS A 95 21.978 -0.190 5.310 1.00 3.24 H new ATOM 0 HB3 LYS A 95 21.397 0.152 6.927 1.00 3.24 H new ATOM 0 HG2 LYS A 95 23.789 1.495 6.926 1.00 3.26 H new ATOM 0 HG3 LYS A 95 23.312 1.642 5.246 1.00 3.26 H new ATOM 0 HD2 LYS A 95 22.341 3.524 6.322 1.00 3.68 H new ATOM 0 HD3 LYS A 95 21.012 2.406 6.086 1.00 3.68 H new ATOM 0 HE2 LYS A 95 21.263 1.603 8.426 1.00 3.80 H new ATOM 0 HE3 LYS A 95 22.605 2.704 8.665 1.00 3.80 H new ATOM 0 HZ1 LYS A 95 21.143 4.246 9.239 1.00 4.40 H new ATOM 0 HZ2 LYS A 95 20.500 4.229 7.668 1.00 4.40 H new ATOM 0 HZ3 LYS A 95 19.839 3.225 8.867 1.00 4.40 H new ATOM 1524 N PRO A 96 24.126 -2.127 4.877 1.00 2.85 N ATOM 1525 CA PRO A 96 25.215 -2.562 4.024 1.00 2.87 C ATOM 1526 C PRO A 96 25.388 -1.704 2.787 1.00 3.26 C ATOM 1527 O PRO A 96 24.479 -1.565 1.968 1.00 3.59 O ATOM 1528 CB PRO A 96 24.710 -3.934 3.594 1.00 2.87 C ATOM 1529 CG PRO A 96 23.225 -3.769 3.481 1.00 2.97 C ATOM 1530 CD PRO A 96 22.836 -2.656 4.424 1.00 3.03 C ATOM 0 HA PRO A 96 26.179 -2.528 4.532 1.00 2.87 H new ATOM 0 HB2 PRO A 96 25.149 -4.239 2.644 1.00 2.87 H new ATOM 0 HB3 PRO A 96 24.970 -4.700 4.325 1.00 2.87 H new ATOM 0 HG2 PRO A 96 22.940 -3.526 2.457 1.00 2.97 H new ATOM 0 HG3 PRO A 96 22.712 -4.694 3.743 1.00 2.97 H new ATOM 0 HD2 PRO A 96 22.243 -1.892 3.921 1.00 3.03 H new ATOM 0 HD3 PRO A 96 22.239 -3.026 5.257 1.00 3.03 H new ATOM 1538 N ALA A 97 26.605 -1.161 2.673 1.00 3.26 N ATOM 1539 CA ALA A 97 26.986 -0.284 1.569 1.00 3.66 C ATOM 1540 C ALA A 97 25.787 0.446 0.968 1.00 3.56 C ATOM 1541 O ALA A 97 25.623 0.514 -0.251 1.00 3.83 O ATOM 1542 CB ALA A 97 27.729 -1.075 0.521 1.00 3.99 C ATOM 0 H ALA A 97 27.353 -1.320 3.348 1.00 3.26 H new ATOM 0 HA ALA A 97 27.646 0.487 1.965 1.00 3.66 H new ATOM 0 HB1 ALA A 97 28.011 -0.416 -0.300 1.00 3.99 H new ATOM 0 HB2 ALA A 97 28.626 -1.510 0.962 1.00 3.99 H new ATOM 0 HB3 ALA A 97 27.088 -1.871 0.143 1.00 3.99 H new ATOM 1548 N ASP A 98 24.956 0.985 1.849 1.00 3.37 N ATOM 1549 CA ASP A 98 23.763 1.732 1.469 1.00 3.32 C ATOM 1550 C ASP A 98 24.087 2.877 0.523 1.00 3.17 C ATOM 1551 O ASP A 98 23.199 3.411 -0.138 1.00 3.27 O ATOM 1552 CB ASP A 98 23.035 2.258 2.707 1.00 3.42 C ATOM 1553 CG ASP A 98 21.929 1.327 3.163 1.00 3.94 C ATOM 1554 OD1 ASP A 98 22.103 0.096 3.043 1.00 4.40 O ATOM 1555 OD2 ASP A 98 20.889 1.829 3.638 1.00 4.23 O ATOM 0 H ASP A 98 25.091 0.916 2.858 1.00 3.37 H new ATOM 0 HA ASP A 98 23.107 1.041 0.940 1.00 3.32 H new ATOM 0 HB2 ASP A 98 23.751 2.392 3.518 1.00 3.42 H new ATOM 0 HB3 ASP A 98 22.614 3.239 2.489 1.00 3.42 H new ATOM 1560 N SER A 99 25.354 3.255 0.464 1.00 3.17 N ATOM 1561 CA SER A 99 25.772 4.370 -0.365 1.00 3.44 C ATOM 1562 C SER A 99 25.228 4.257 -1.787 1.00 3.74 C ATOM 1563 O SER A 99 25.110 5.262 -2.487 1.00 4.12 O ATOM 1564 CB SER A 99 27.298 4.469 -0.405 1.00 3.73 C ATOM 1565 OG SER A 99 27.838 4.632 0.893 1.00 3.81 O ATOM 0 H SER A 99 26.109 2.805 0.981 1.00 3.17 H new ATOM 0 HA SER A 99 25.361 5.274 0.084 1.00 3.44 H new ATOM 0 HB2 SER A 99 27.711 3.570 -0.862 1.00 3.73 H new ATOM 0 HB3 SER A 99 27.593 5.310 -1.032 1.00 3.73 H new ATOM 0 HG SER A 99 27.128 4.521 1.559 1.00 3.81 H new ATOM 1571 N GLU A 100 24.895 3.044 -2.213 1.00 3.82 N ATOM 1572 CA GLU A 100 24.368 2.845 -3.554 1.00 4.40 C ATOM 1573 C GLU A 100 23.210 1.854 -3.570 1.00 4.57 C ATOM 1574 O GLU A 100 23.108 1.014 -4.465 1.00 5.20 O ATOM 1575 CB GLU A 100 25.491 2.388 -4.480 1.00 4.96 C ATOM 1576 CG GLU A 100 26.017 0.995 -4.171 1.00 4.97 C ATOM 1577 CD GLU A 100 27.136 0.575 -5.103 1.00 5.69 C ATOM 1578 OE1 GLU A 100 28.298 0.956 -4.846 1.00 5.72 O ATOM 1579 OE2 GLU A 100 26.850 -0.133 -6.092 1.00 6.33 O ATOM 0 H GLU A 100 24.980 2.194 -1.656 1.00 3.82 H new ATOM 0 HA GLU A 100 23.972 3.796 -3.910 1.00 4.40 H new ATOM 0 HB2 GLU A 100 25.132 2.410 -5.509 1.00 4.96 H new ATOM 0 HB3 GLU A 100 26.314 3.099 -4.415 1.00 4.96 H new ATOM 0 HG2 GLU A 100 26.376 0.966 -3.142 1.00 4.97 H new ATOM 0 HG3 GLU A 100 25.200 0.277 -4.244 1.00 4.97 H new ATOM 1689 N ARG A 108 10.313 0.157 4.228 1.00 2.89 N ATOM 1690 CA ARG A 108 8.902 -0.003 4.564 1.00 3.04 C ATOM 1691 C ARG A 108 8.022 0.196 3.344 1.00 2.46 C ATOM 1692 O ARG A 108 7.766 1.335 2.946 1.00 1.90 O ATOM 1693 CB ARG A 108 8.548 1.070 5.570 1.00 3.22 C ATOM 1694 CG ARG A 108 9.161 2.416 5.221 1.00 2.91 C ATOM 1695 CD ARG A 108 10.016 2.968 6.345 1.00 3.48 C ATOM 1696 NE ARG A 108 10.992 3.938 5.854 1.00 3.38 N ATOM 1697 CZ ARG A 108 11.676 4.761 6.643 1.00 3.81 C ATOM 1698 NH1 ARG A 108 11.488 4.736 7.955 1.00 4.30 N ATOM 1699 NH2 ARG A 108 12.549 5.610 6.119 1.00 3.91 N ATOM 0 HA ARG A 108 8.740 -1.008 4.955 1.00 3.04 H new ATOM 0 HB2 ARG A 108 7.464 1.170 5.624 1.00 3.22 H new ATOM 0 HB3 ARG A 108 8.889 0.764 6.559 1.00 3.22 H new ATOM 0 HG2 ARG A 108 9.769 2.314 4.322 1.00 2.91 H new ATOM 0 HG3 ARG A 108 8.367 3.126 4.990 1.00 2.91 H new ATOM 0 HD2 ARG A 108 9.376 3.441 7.091 1.00 3.48 H new ATOM 0 HD3 ARG A 108 10.535 2.149 6.843 1.00 3.48 H new ATOM 0 HE ARG A 108 11.158 3.987 4.849 1.00 3.38 H new ATOM 0 HH11 ARG A 108 10.817 4.084 8.362 1.00 4.30 H new ATOM 0 HH12 ARG A 108 12.014 5.369 8.558 1.00 4.30 H new ATOM 0 HH21 ARG A 108 12.696 5.632 5.110 1.00 3.91 H new ATOM 0 HH22 ARG A 108 13.073 6.241 6.725 1.00 3.91 H new ATOM 1713 N LYS A 109 7.444 -0.882 2.842 1.00 2.91 N ATOM 1714 CA LYS A 109 6.581 -0.769 1.685 1.00 2.73 C ATOM 1715 C LYS A 109 5.291 -1.560 1.771 1.00 3.05 C ATOM 1716 O LYS A 109 5.248 -2.657 2.324 1.00 3.83 O ATOM 1717 CB LYS A 109 7.321 -1.097 0.402 1.00 3.38 C ATOM 1718 CG LYS A 109 7.159 0.002 -0.629 1.00 3.27 C ATOM 1719 CD LYS A 109 7.009 -0.566 -2.028 1.00 3.31 C ATOM 1720 CE LYS A 109 7.657 0.332 -3.068 1.00 3.81 C ATOM 1721 NZ LYS A 109 7.485 -0.202 -4.447 1.00 4.37 N ATOM 0 H LYS A 109 7.555 -1.827 3.210 1.00 2.91 H new ATOM 0 HA LYS A 109 6.282 0.279 1.672 1.00 2.73 H new ATOM 0 HB2 LYS A 109 8.380 -1.241 0.618 1.00 3.38 H new ATOM 0 HB3 LYS A 109 6.947 -2.037 -0.005 1.00 3.38 H new ATOM 0 HG2 LYS A 109 6.285 0.606 -0.385 1.00 3.27 H new ATOM 0 HG3 LYS A 109 8.024 0.665 -0.595 1.00 3.27 H new ATOM 0 HD2 LYS A 109 7.461 -1.557 -2.069 1.00 3.31 H new ATOM 0 HD3 LYS A 109 5.951 -0.688 -2.260 1.00 3.31 H new ATOM 0 HE2 LYS A 109 7.222 1.330 -3.008 1.00 3.81 H new ATOM 0 HE3 LYS A 109 8.720 0.434 -2.848 1.00 3.81 H new ATOM 0 HZ1 LYS A 109 7.941 0.439 -5.127 1.00 4.37 H new ATOM 0 HZ2 LYS A 109 7.922 -1.143 -4.512 1.00 4.37 H new ATOM 0 HZ3 LYS A 109 6.471 -0.276 -4.667 1.00 4.37 H new ATOM 1735 N LEU A 110 4.244 -0.976 1.220 1.00 2.58 N ATOM 1736 CA LEU A 110 2.950 -1.625 1.108 1.00 2.86 C ATOM 1737 C LEU A 110 2.481 -1.486 -0.331 1.00 3.03 C ATOM 1738 O LEU A 110 2.592 -0.411 -0.922 1.00 2.83 O ATOM 1739 CB LEU A 110 1.913 -1.038 2.073 1.00 2.44 C ATOM 1740 CG LEU A 110 2.054 -1.474 3.535 1.00 3.17 C ATOM 1741 CD1 LEU A 110 2.263 -2.979 3.645 1.00 4.14 C ATOM 1742 CD2 LEU A 110 3.198 -0.731 4.198 1.00 3.11 C ATOM 0 H LEU A 110 4.267 -0.032 0.835 1.00 2.58 H new ATOM 0 HA LEU A 110 3.057 -2.675 1.382 1.00 2.86 H new ATOM 0 HB2 LEU A 110 1.975 0.049 2.028 1.00 2.44 H new ATOM 0 HB3 LEU A 110 0.919 -1.315 1.723 1.00 2.44 H new ATOM 0 HG LEU A 110 1.126 -1.226 4.051 1.00 3.17 H new ATOM 0 HD11 LEU A 110 2.360 -3.257 4.694 1.00 4.14 H new ATOM 0 HD12 LEU A 110 1.409 -3.498 3.209 1.00 4.14 H new ATOM 0 HD13 LEU A 110 3.170 -3.260 3.110 1.00 4.14 H new ATOM 0 HD21 LEU A 110 3.286 -1.051 5.236 1.00 3.11 H new ATOM 0 HD22 LEU A 110 4.127 -0.948 3.671 1.00 3.11 H new ATOM 0 HD23 LEU A 110 3.004 0.341 4.164 1.00 3.11 H new ATOM 1754 N PHE A 111 1.963 -2.561 -0.899 1.00 3.75 N ATOM 1755 CA PHE A 111 1.516 -2.533 -2.284 1.00 4.24 C ATOM 1756 C PHE A 111 0.041 -2.891 -2.401 1.00 4.19 C ATOM 1757 O PHE A 111 -0.394 -3.955 -1.964 1.00 4.56 O ATOM 1758 CB PHE A 111 2.361 -3.507 -3.113 1.00 5.34 C ATOM 1759 CG PHE A 111 1.858 -3.723 -4.512 1.00 6.09 C ATOM 1760 CD1 PHE A 111 2.146 -2.808 -5.513 1.00 6.87 C ATOM 1761 CD2 PHE A 111 1.093 -4.834 -4.826 1.00 6.18 C ATOM 1762 CE1 PHE A 111 1.683 -2.998 -6.800 1.00 7.61 C ATOM 1763 CE2 PHE A 111 0.625 -5.029 -6.113 1.00 6.97 C ATOM 1764 CZ PHE A 111 0.933 -4.132 -7.102 1.00 7.63 C ATOM 0 H PHE A 111 1.841 -3.458 -0.429 1.00 3.75 H new ATOM 0 HA PHE A 111 1.642 -1.519 -2.664 1.00 4.24 H new ATOM 0 HB2 PHE A 111 3.384 -3.133 -3.160 1.00 5.34 H new ATOM 0 HB3 PHE A 111 2.396 -4.468 -2.599 1.00 5.34 H new ATOM 0 HD1 PHE A 111 2.740 -1.936 -5.283 1.00 6.87 H new ATOM 0 HD2 PHE A 111 0.859 -5.556 -4.058 1.00 6.18 H new ATOM 0 HE1 PHE A 111 1.901 -2.271 -7.568 1.00 7.61 H new ATOM 0 HE2 PHE A 111 0.015 -5.891 -6.339 1.00 6.97 H new ATOM 0 HZ PHE A 111 0.595 -4.304 -8.113 1.00 7.63 H new ATOM 1774 N ILE A 112 -0.715 -1.982 -3.009 1.00 3.92 N ATOM 1775 CA ILE A 112 -2.142 -2.171 -3.212 1.00 3.86 C ATOM 1776 C ILE A 112 -2.451 -2.207 -4.702 1.00 4.75 C ATOM 1777 O ILE A 112 -2.047 -1.311 -5.447 1.00 5.06 O ATOM 1778 CB ILE A 112 -2.970 -1.054 -2.546 1.00 2.95 C ATOM 1779 CG1 ILE A 112 -2.544 -0.855 -1.089 1.00 2.19 C ATOM 1780 CG2 ILE A 112 -4.449 -1.385 -2.623 1.00 2.90 C ATOM 1781 CD1 ILE A 112 -1.343 0.051 -0.921 1.00 2.02 C ATOM 0 H ILE A 112 -0.355 -1.099 -3.372 1.00 3.92 H new ATOM 0 HA ILE A 112 -2.417 -3.118 -2.748 1.00 3.86 H new ATOM 0 HB ILE A 112 -2.788 -0.123 -3.083 1.00 2.95 H new ATOM 0 HG12 ILE A 112 -3.382 -0.440 -0.529 1.00 2.19 H new ATOM 0 HG13 ILE A 112 -2.318 -1.827 -0.650 1.00 2.19 H new ATOM 0 HG21 ILE A 112 -5.025 -0.590 -2.150 1.00 2.90 H new ATOM 0 HG22 ILE A 112 -4.747 -1.477 -3.667 1.00 2.90 H new ATOM 0 HG23 ILE A 112 -4.638 -2.326 -2.107 1.00 2.90 H new ATOM 0 HD11 ILE A 112 -1.102 0.143 0.138 1.00 2.02 H new ATOM 0 HD12 ILE A 112 -0.490 -0.373 -1.452 1.00 2.02 H new ATOM 0 HD13 ILE A 112 -1.571 1.036 -1.328 1.00 2.02 H new ATOM 1793 N GLY A 113 -3.174 -3.233 -5.135 1.00 5.33 N ATOM 1794 CA GLY A 113 -3.479 -3.366 -6.549 1.00 6.24 C ATOM 1795 C GLY A 113 -4.911 -3.038 -6.923 1.00 6.09 C ATOM 1796 O GLY A 113 -5.154 -2.461 -7.983 1.00 6.49 O ATOM 0 H GLY A 113 -3.552 -3.970 -4.539 1.00 5.33 H new ATOM 0 HA2 GLY A 113 -2.812 -2.714 -7.113 1.00 6.24 H new ATOM 0 HA3 GLY A 113 -3.262 -4.388 -6.859 1.00 6.24 H new ATOM 1800 N MET A 114 -5.864 -3.397 -6.071 1.00 5.69 N ATOM 1801 CA MET A 114 -7.269 -3.148 -6.376 1.00 5.55 C ATOM 1802 C MET A 114 -7.990 -2.397 -5.261 1.00 4.56 C ATOM 1803 O MET A 114 -8.388 -2.979 -4.252 1.00 4.05 O ATOM 1804 CB MET A 114 -7.983 -4.469 -6.667 1.00 6.00 C ATOM 1805 CG MET A 114 -7.453 -5.639 -5.853 1.00 5.90 C ATOM 1806 SD MET A 114 -7.046 -7.067 -6.876 1.00 7.01 S ATOM 1807 CE MET A 114 -5.785 -6.372 -7.941 1.00 7.54 C ATOM 0 H MET A 114 -5.694 -3.855 -5.176 1.00 5.69 H new ATOM 0 HA MET A 114 -7.297 -2.510 -7.259 1.00 5.55 H new ATOM 0 HB2 MET A 114 -9.047 -4.349 -6.465 1.00 6.00 H new ATOM 0 HB3 MET A 114 -7.884 -4.700 -7.728 1.00 6.00 H new ATOM 0 HG2 MET A 114 -6.565 -5.323 -5.306 1.00 5.90 H new ATOM 0 HG3 MET A 114 -8.198 -5.928 -5.112 1.00 5.90 H new ATOM 0 HE1 MET A 114 -5.236 -7.178 -8.429 1.00 7.54 H new ATOM 0 HE2 MET A 114 -6.254 -5.742 -8.697 1.00 7.54 H new ATOM 0 HE3 MET A 114 -5.096 -5.772 -7.346 1.00 7.54 H new ATOM 1817 N ILE A 115 -8.150 -1.094 -5.465 1.00 4.53 N ATOM 1818 CA ILE A 115 -8.848 -0.233 -4.512 1.00 3.90 C ATOM 1819 C ILE A 115 -10.052 0.433 -5.167 1.00 4.44 C ATOM 1820 O ILE A 115 -10.129 0.533 -6.392 1.00 5.25 O ATOM 1821 CB ILE A 115 -7.935 0.848 -3.911 1.00 3.67 C ATOM 1822 CG1 ILE A 115 -6.876 1.275 -4.925 1.00 4.42 C ATOM 1823 CG2 ILE A 115 -7.298 0.336 -2.628 1.00 2.85 C ATOM 1824 CD1 ILE A 115 -6.024 2.436 -4.467 1.00 4.43 C ATOM 0 H ILE A 115 -7.802 -0.605 -6.290 1.00 4.53 H new ATOM 0 HA ILE A 115 -9.179 -0.881 -3.700 1.00 3.90 H new ATOM 0 HB ILE A 115 -8.533 1.726 -3.667 1.00 3.67 H new ATOM 0 HG12 ILE A 115 -6.229 0.425 -5.140 1.00 4.42 H new ATOM 0 HG13 ILE A 115 -7.369 1.545 -5.859 1.00 4.42 H new ATOM 0 HG21 ILE A 115 -6.653 1.108 -2.209 1.00 2.85 H new ATOM 0 HG22 ILE A 115 -8.078 0.085 -1.909 1.00 2.85 H new ATOM 0 HG23 ILE A 115 -6.706 -0.553 -2.845 1.00 2.85 H new ATOM 0 HD11 ILE A 115 -5.296 2.680 -5.241 1.00 4.43 H new ATOM 0 HD12 ILE A 115 -6.659 3.302 -4.280 1.00 4.43 H new ATOM 0 HD13 ILE A 115 -5.501 2.164 -3.550 1.00 4.43 H new ATOM 1836 N SER A 116 -10.988 0.888 -4.343 1.00 4.14 N ATOM 1837 CA SER A 116 -12.199 1.524 -4.837 1.00 4.74 C ATOM 1838 C SER A 116 -11.875 2.828 -5.555 1.00 5.61 C ATOM 1839 O SER A 116 -11.004 3.591 -5.132 1.00 5.67 O ATOM 1840 CB SER A 116 -13.152 1.794 -3.674 1.00 4.50 C ATOM 1841 OG SER A 116 -13.755 0.596 -3.219 1.00 4.35 O ATOM 0 H SER A 116 -10.929 0.827 -3.327 1.00 4.14 H new ATOM 0 HA SER A 116 -12.676 0.851 -5.549 1.00 4.74 H new ATOM 0 HB2 SER A 116 -12.607 2.264 -2.855 1.00 4.50 H new ATOM 0 HB3 SER A 116 -13.924 2.497 -3.988 1.00 4.50 H new ATOM 0 HG SER A 116 -14.359 0.796 -2.474 1.00 4.35 H new ATOM 1847 N LYS A 117 -12.591 3.069 -6.650 1.00 6.37 N ATOM 1848 CA LYS A 117 -12.391 4.261 -7.466 1.00 7.35 C ATOM 1849 C LYS A 117 -12.640 5.544 -6.678 1.00 7.65 C ATOM 1850 O LYS A 117 -12.290 6.634 -7.131 1.00 8.40 O ATOM 1851 CB LYS A 117 -13.307 4.224 -8.691 1.00 8.11 C ATOM 1852 CG LYS A 117 -12.921 3.171 -9.723 1.00 8.25 C ATOM 1853 CD LYS A 117 -13.346 1.777 -9.291 1.00 7.50 C ATOM 1854 CE LYS A 117 -12.150 0.922 -8.904 1.00 7.13 C ATOM 1855 NZ LYS A 117 -11.202 0.748 -10.038 1.00 7.69 N ATOM 0 H LYS A 117 -13.322 2.447 -6.994 1.00 6.37 H new ATOM 0 HA LYS A 117 -11.349 4.262 -7.785 1.00 7.35 H new ATOM 0 HB2 LYS A 117 -14.329 4.038 -8.362 1.00 8.11 H new ATOM 0 HB3 LYS A 117 -13.299 5.204 -9.167 1.00 8.11 H new ATOM 0 HG2 LYS A 117 -13.384 3.412 -10.680 1.00 8.25 H new ATOM 0 HG3 LYS A 117 -11.842 3.191 -9.877 1.00 8.25 H new ATOM 0 HD2 LYS A 117 -14.030 1.850 -8.446 1.00 7.50 H new ATOM 0 HD3 LYS A 117 -13.892 1.295 -10.102 1.00 7.50 H new ATOM 0 HE2 LYS A 117 -11.631 1.383 -8.064 1.00 7.13 H new ATOM 0 HE3 LYS A 117 -12.496 -0.055 -8.567 1.00 7.13 H new ATOM 0 HZ1 LYS A 117 -10.696 -0.154 -9.932 1.00 7.69 H new ATOM 0 HZ2 LYS A 117 -11.730 0.746 -10.934 1.00 7.69 H new ATOM 0 HZ3 LYS A 117 -10.517 1.531 -10.041 1.00 7.69 H new ATOM 1869 N LYS A 118 -13.249 5.414 -5.504 1.00 7.20 N ATOM 1870 CA LYS A 118 -13.542 6.572 -4.668 1.00 7.69 C ATOM 1871 C LYS A 118 -12.480 6.739 -3.588 1.00 7.36 C ATOM 1872 O LYS A 118 -12.793 6.822 -2.400 1.00 7.36 O ATOM 1873 CB LYS A 118 -14.927 6.430 -4.026 1.00 7.64 C ATOM 1874 CG LYS A 118 -16.055 6.236 -5.031 1.00 7.99 C ATOM 1875 CD LYS A 118 -16.160 4.787 -5.485 1.00 7.52 C ATOM 1876 CE LYS A 118 -17.248 4.605 -6.530 1.00 7.69 C ATOM 1877 NZ LYS A 118 -17.372 3.186 -6.960 1.00 7.78 N ATOM 0 H LYS A 118 -13.548 4.522 -5.111 1.00 7.20 H new ATOM 0 HA LYS A 118 -13.536 7.460 -5.301 1.00 7.69 H new ATOM 0 HB2 LYS A 118 -14.914 5.582 -3.341 1.00 7.64 H new ATOM 0 HB3 LYS A 118 -15.133 7.319 -3.430 1.00 7.64 H new ATOM 0 HG2 LYS A 118 -16.999 6.547 -4.583 1.00 7.99 H new ATOM 0 HG3 LYS A 118 -15.886 6.877 -5.896 1.00 7.99 H new ATOM 0 HD2 LYS A 118 -15.203 4.464 -5.895 1.00 7.52 H new ATOM 0 HD3 LYS A 118 -16.370 4.150 -4.626 1.00 7.52 H new ATOM 0 HE2 LYS A 118 -18.201 4.946 -6.125 1.00 7.69 H new ATOM 0 HE3 LYS A 118 -17.028 5.229 -7.396 1.00 7.69 H new ATOM 0 HZ1 LYS A 118 -18.125 3.104 -7.673 1.00 7.78 H new ATOM 0 HZ2 LYS A 118 -16.471 2.867 -7.370 1.00 7.78 H new ATOM 0 HZ3 LYS A 118 -17.608 2.594 -6.138 1.00 7.78 H new ATOM 1891 N CYS A 119 -11.219 6.791 -4.009 1.00 7.20 N ATOM 1892 CA CYS A 119 -10.108 6.939 -3.073 1.00 6.89 C ATOM 1893 C CYS A 119 -9.093 7.974 -3.555 1.00 7.58 C ATOM 1894 O CYS A 119 -8.661 7.945 -4.707 1.00 7.88 O ATOM 1895 CB CYS A 119 -9.408 5.595 -2.874 1.00 5.83 C ATOM 1896 SG CYS A 119 -10.476 4.296 -2.212 1.00 5.00 S ATOM 0 H CYS A 119 -10.941 6.733 -4.989 1.00 7.20 H new ATOM 0 HA CYS A 119 -10.522 7.286 -2.126 1.00 6.89 H new ATOM 0 HB2 CYS A 119 -9.002 5.264 -3.830 1.00 5.83 H new ATOM 0 HB3 CYS A 119 -8.563 5.734 -2.200 1.00 5.83 H new ATOM 0 HG CYS A 119 -11.007 3.629 -3.193 1.00 5.00 H new ATOM 1902 N THR A 120 -8.719 8.885 -2.660 1.00 7.94 N ATOM 1903 CA THR A 120 -7.735 9.913 -2.975 1.00 8.60 C ATOM 1904 C THR A 120 -6.408 9.575 -2.310 1.00 8.03 C ATOM 1905 O THR A 120 -6.376 8.791 -1.361 1.00 7.32 O ATOM 1906 CB THR A 120 -8.187 11.306 -2.507 1.00 9.61 C ATOM 1907 OG1 THR A 120 -9.598 11.457 -2.698 1.00 9.96 O ATOM 1908 CG2 THR A 120 -7.449 12.397 -3.270 1.00 10.47 C ATOM 0 H THR A 120 -9.085 8.931 -1.709 1.00 7.94 H new ATOM 0 HA THR A 120 -7.625 9.937 -4.059 1.00 8.60 H new ATOM 0 HB THR A 120 -7.954 11.401 -1.446 1.00 9.61 H new ATOM 0 HG1 THR A 120 -9.876 12.347 -2.395 1.00 9.96 H new ATOM 0 HG21 THR A 120 -7.784 13.374 -2.923 1.00 10.47 H new ATOM 0 HG22 THR A 120 -6.377 12.299 -3.099 1.00 10.47 H new ATOM 0 HG23 THR A 120 -7.656 12.300 -4.336 1.00 10.47 H new ATOM 1916 N GLU A 121 -5.318 10.161 -2.786 1.00 8.38 N ATOM 1917 CA GLU A 121 -4.008 9.866 -2.219 1.00 7.86 C ATOM 1918 C GLU A 121 -3.895 10.344 -0.775 1.00 7.95 C ATOM 1919 O GLU A 121 -3.519 9.573 0.111 1.00 7.23 O ATOM 1920 CB GLU A 121 -2.911 10.505 -3.078 1.00 8.41 C ATOM 1921 CG GLU A 121 -1.545 10.543 -2.410 1.00 8.20 C ATOM 1922 CD GLU A 121 -0.499 11.231 -3.266 1.00 8.99 C ATOM 1923 OE1 GLU A 121 0.046 10.576 -4.179 1.00 9.31 O ATOM 1924 OE2 GLU A 121 -0.226 12.426 -3.023 1.00 9.38 O ATOM 0 H GLU A 121 -5.312 10.834 -3.552 1.00 8.38 H new ATOM 0 HA GLU A 121 -3.881 8.783 -2.216 1.00 7.86 H new ATOM 0 HB2 GLU A 121 -2.831 9.954 -4.015 1.00 8.41 H new ATOM 0 HB3 GLU A 121 -3.209 11.523 -3.331 1.00 8.41 H new ATOM 0 HG2 GLU A 121 -1.626 11.061 -1.454 1.00 8.20 H new ATOM 0 HG3 GLU A 121 -1.221 9.525 -2.194 1.00 8.20 H new ATOM 1931 N ASN A 122 -4.293 11.583 -0.522 1.00 8.92 N ATOM 1932 CA ASN A 122 -4.215 12.133 0.825 1.00 9.27 C ATOM 1933 C ASN A 122 -5.131 11.359 1.756 1.00 8.93 C ATOM 1934 O ASN A 122 -4.740 10.974 2.861 1.00 8.77 O ATOM 1935 CB ASN A 122 -4.596 13.616 0.818 1.00 10.46 C ATOM 1936 CG ASN A 122 -4.425 14.264 2.177 1.00 10.98 C ATOM 1937 OD1 ASN A 122 -3.363 14.799 2.494 1.00 11.25 O ATOM 1938 ND2 ASN A 122 -5.474 14.219 2.990 1.00 11.25 N ATOM 0 H ASN A 122 -4.669 12.221 -1.223 1.00 8.92 H new ATOM 0 HA ASN A 122 -3.189 12.041 1.183 1.00 9.27 H new ATOM 0 HB2 ASN A 122 -3.981 14.143 0.088 1.00 10.46 H new ATOM 0 HB3 ASN A 122 -5.632 13.720 0.497 1.00 10.46 H new ATOM 0 HD21 ASN A 122 -5.418 14.638 3.918 1.00 11.25 H new ATOM 0 HD22 ASN A 122 -6.335 13.765 2.686 1.00 11.25 H new ATOM 1945 N ASP A 123 -6.346 11.110 1.285 1.00 8.91 N ATOM 1946 CA ASP A 123 -7.333 10.377 2.059 1.00 8.65 C ATOM 1947 C ASP A 123 -6.801 9.010 2.469 1.00 7.63 C ATOM 1948 O ASP A 123 -7.062 8.546 3.581 1.00 7.63 O ATOM 1949 CB ASP A 123 -8.618 10.211 1.249 1.00 8.67 C ATOM 1950 CG ASP A 123 -9.413 11.498 1.156 1.00 8.97 C ATOM 1951 OD1 ASP A 123 -9.069 12.347 0.306 1.00 9.52 O ATOM 1952 OD2 ASP A 123 -10.378 11.659 1.933 1.00 8.72 O ATOM 0 H ASP A 123 -6.671 11.408 0.365 1.00 8.91 H new ATOM 0 HA ASP A 123 -7.547 10.948 2.963 1.00 8.65 H new ATOM 0 HB2 ASP A 123 -8.369 9.867 0.245 1.00 8.67 H new ATOM 0 HB3 ASP A 123 -9.235 9.438 1.707 1.00 8.67 H new ATOM 1957 N ILE A 124 -6.030 8.377 1.585 1.00 6.86 N ATOM 1958 CA ILE A 124 -5.490 7.056 1.874 1.00 5.85 C ATOM 1959 C ILE A 124 -4.682 7.079 3.160 1.00 6.05 C ATOM 1960 O ILE A 124 -4.829 6.201 4.011 1.00 5.79 O ATOM 1961 CB ILE A 124 -4.613 6.526 0.716 1.00 5.17 C ATOM 1962 CG1 ILE A 124 -5.490 5.920 -0.384 1.00 4.90 C ATOM 1963 CG2 ILE A 124 -3.601 5.501 1.216 1.00 4.29 C ATOM 1964 CD1 ILE A 124 -6.320 4.737 0.073 1.00 4.19 C ATOM 0 H ILE A 124 -5.770 8.755 0.674 1.00 6.86 H new ATOM 0 HA ILE A 124 -6.338 6.381 1.991 1.00 5.85 H new ATOM 0 HB ILE A 124 -4.060 7.368 0.299 1.00 5.17 H new ATOM 0 HG12 ILE A 124 -6.157 6.691 -0.770 1.00 4.90 H new ATOM 0 HG13 ILE A 124 -4.853 5.606 -1.211 1.00 4.90 H new ATOM 0 HG21 ILE A 124 -2.999 5.146 0.380 1.00 4.29 H new ATOM 0 HG22 ILE A 124 -2.952 5.963 1.960 1.00 4.29 H new ATOM 0 HG23 ILE A 124 -4.128 4.660 1.666 1.00 4.29 H new ATOM 0 HD11 ILE A 124 -6.913 4.364 -0.762 1.00 4.19 H new ATOM 0 HD12 ILE A 124 -5.661 3.946 0.431 1.00 4.19 H new ATOM 0 HD13 ILE A 124 -6.984 5.048 0.879 1.00 4.19 H new ATOM 1976 N ARG A 125 -3.860 8.109 3.311 1.00 6.68 N ATOM 1977 CA ARG A 125 -3.027 8.242 4.492 1.00 7.01 C ATOM 1978 C ARG A 125 -3.883 8.177 5.747 1.00 7.61 C ATOM 1979 O ARG A 125 -3.558 7.461 6.694 1.00 7.60 O ATOM 1980 CB ARG A 125 -2.253 9.563 4.447 1.00 7.78 C ATOM 1981 CG ARG A 125 -1.404 9.820 5.683 1.00 8.22 C ATOM 1982 CD ARG A 125 -0.692 11.162 5.597 1.00 8.67 C ATOM 1983 NE ARG A 125 0.093 11.444 6.795 1.00 9.09 N ATOM 1984 CZ ARG A 125 0.670 12.618 7.040 1.00 9.67 C ATOM 1985 NH1 ARG A 125 0.551 13.615 6.171 1.00 9.86 N ATOM 1986 NH2 ARG A 125 1.367 12.796 8.154 1.00 10.27 N ATOM 0 H ARG A 125 -3.754 8.861 2.630 1.00 6.68 H new ATOM 0 HA ARG A 125 -2.313 7.419 4.512 1.00 7.01 H new ATOM 0 HB2 ARG A 125 -1.608 9.566 3.568 1.00 7.78 H new ATOM 0 HB3 ARG A 125 -2.960 10.384 4.326 1.00 7.78 H new ATOM 0 HG2 ARG A 125 -2.035 9.797 6.571 1.00 8.22 H new ATOM 0 HG3 ARG A 125 -0.669 9.023 5.794 1.00 8.22 H new ATOM 0 HD2 ARG A 125 -0.038 11.170 4.725 1.00 8.67 H new ATOM 0 HD3 ARG A 125 -1.427 11.953 5.451 1.00 8.67 H new ATOM 0 HE ARG A 125 0.206 10.699 7.483 1.00 9.09 H new ATOM 0 HH11 ARG A 125 0.016 13.482 5.313 1.00 9.86 H new ATOM 0 HH12 ARG A 125 0.994 14.514 6.362 1.00 9.86 H new ATOM 0 HH21 ARG A 125 1.461 12.033 8.824 1.00 10.27 H new ATOM 0 HH22 ARG A 125 1.809 13.696 8.341 1.00 10.27 H new ATOM 2000 N VAL A 126 -5.009 8.881 5.720 1.00 8.22 N ATOM 2001 CA VAL A 126 -5.909 8.925 6.863 1.00 8.90 C ATOM 2002 C VAL A 126 -6.316 7.524 7.295 1.00 8.37 C ATOM 2003 O VAL A 126 -6.292 7.202 8.483 1.00 8.88 O ATOM 2004 CB VAL A 126 -7.179 9.738 6.546 1.00 9.46 C ATOM 2005 CG1 VAL A 126 -8.058 9.863 7.782 1.00 10.20 C ATOM 2006 CG2 VAL A 126 -6.812 11.111 6.002 1.00 10.10 C ATOM 0 H VAL A 126 -5.319 9.429 4.918 1.00 8.22 H new ATOM 0 HA VAL A 126 -5.366 9.411 7.674 1.00 8.90 H new ATOM 0 HB VAL A 126 -7.745 9.208 5.780 1.00 9.46 H new ATOM 0 HG11 VAL A 126 -8.950 10.440 7.538 1.00 10.20 H new ATOM 0 HG12 VAL A 126 -8.351 8.870 8.122 1.00 10.20 H new ATOM 0 HG13 VAL A 126 -7.504 10.369 8.573 1.00 10.20 H new ATOM 0 HG21 VAL A 126 -7.721 11.671 5.784 1.00 10.10 H new ATOM 0 HG22 VAL A 126 -6.223 11.651 6.743 1.00 10.10 H new ATOM 0 HG23 VAL A 126 -6.229 10.996 5.088 1.00 10.10 H new ATOM 2016 N MET A 127 -6.664 6.686 6.328 1.00 7.45 N ATOM 2017 CA MET A 127 -7.086 5.326 6.628 1.00 7.01 C ATOM 2018 C MET A 127 -5.962 4.555 7.304 1.00 6.90 C ATOM 2019 O MET A 127 -6.178 3.868 8.305 1.00 7.35 O ATOM 2020 CB MET A 127 -7.514 4.602 5.352 1.00 6.01 C ATOM 2021 CG MET A 127 -8.330 3.346 5.615 1.00 5.80 C ATOM 2022 SD MET A 127 -8.220 2.152 4.270 1.00 4.71 S ATOM 2023 CE MET A 127 -6.615 1.427 4.596 1.00 4.35 C ATOM 0 H MET A 127 -6.662 6.922 5.336 1.00 7.45 H new ATOM 0 HA MET A 127 -7.937 5.378 7.307 1.00 7.01 H new ATOM 0 HB2 MET A 127 -8.099 5.284 4.735 1.00 6.01 H new ATOM 0 HB3 MET A 127 -6.626 4.336 4.779 1.00 6.01 H new ATOM 0 HG2 MET A 127 -7.985 2.880 6.538 1.00 5.80 H new ATOM 0 HG3 MET A 127 -9.374 3.621 5.767 1.00 5.80 H new ATOM 0 HE1 MET A 127 -6.097 1.250 3.653 1.00 4.35 H new ATOM 0 HE2 MET A 127 -6.026 2.108 5.211 1.00 4.35 H new ATOM 0 HE3 MET A 127 -6.743 0.481 5.122 1.00 4.35 H new ATOM 2033 N PHE A 128 -4.752 4.706 6.779 1.00 6.45 N ATOM 2034 CA PHE A 128 -3.603 4.002 7.322 1.00 6.34 C ATOM 2035 C PHE A 128 -3.186 4.615 8.652 1.00 7.39 C ATOM 2036 O PHE A 128 -2.535 3.965 9.471 1.00 7.66 O ATOM 2037 CB PHE A 128 -2.436 4.014 6.331 1.00 5.52 C ATOM 2038 CG PHE A 128 -2.575 3.005 5.228 1.00 4.45 C ATOM 2039 CD1 PHE A 128 -3.361 3.276 4.119 1.00 4.02 C ATOM 2040 CD2 PHE A 128 -1.922 1.785 5.298 1.00 4.07 C ATOM 2041 CE1 PHE A 128 -3.492 2.351 3.101 1.00 3.10 C ATOM 2042 CE2 PHE A 128 -2.050 0.855 4.285 1.00 3.27 C ATOM 2043 CZ PHE A 128 -2.830 1.136 3.186 1.00 2.70 C ATOM 0 H PHE A 128 -4.544 5.307 5.982 1.00 6.45 H new ATOM 0 HA PHE A 128 -3.887 2.964 7.493 1.00 6.34 H new ATOM 0 HB2 PHE A 128 -2.352 5.009 5.894 1.00 5.52 H new ATOM 0 HB3 PHE A 128 -1.509 3.824 6.872 1.00 5.52 H new ATOM 0 HD1 PHE A 128 -3.877 4.222 4.050 1.00 4.02 H new ATOM 0 HD2 PHE A 128 -1.305 1.558 6.155 1.00 4.07 H new ATOM 0 HE1 PHE A 128 -4.108 2.574 2.242 1.00 3.10 H new ATOM 0 HE2 PHE A 128 -1.538 -0.093 4.355 1.00 3.27 H new ATOM 0 HZ PHE A 128 -2.926 0.411 2.391 1.00 2.70 H new ATOM 2053 N SER A 129 -3.559 5.875 8.857 1.00 8.07 N ATOM 2054 CA SER A 129 -3.219 6.587 10.082 1.00 9.09 C ATOM 2055 C SER A 129 -3.803 5.880 11.298 1.00 9.73 C ATOM 2056 O SER A 129 -3.299 6.025 12.412 1.00 10.48 O ATOM 2057 CB SER A 129 -3.726 8.029 10.019 1.00 9.77 C ATOM 2058 OG SER A 129 -3.392 8.738 11.199 1.00 10.65 O ATOM 0 H SER A 129 -4.098 6.424 8.188 1.00 8.07 H new ATOM 0 HA SER A 129 -2.133 6.599 10.178 1.00 9.09 H new ATOM 0 HB2 SER A 129 -3.294 8.532 9.154 1.00 9.77 H new ATOM 0 HB3 SER A 129 -4.807 8.032 9.883 1.00 9.77 H new ATOM 0 HG SER A 129 -3.725 9.657 11.134 1.00 10.65 H new ATOM 2064 N SER A 130 -4.872 5.118 11.081 1.00 9.49 N ATOM 2065 CA SER A 130 -5.519 4.393 12.168 1.00 10.16 C ATOM 2066 C SER A 130 -4.593 3.322 12.732 1.00 10.26 C ATOM 2067 O SER A 130 -4.729 2.915 13.887 1.00 11.09 O ATOM 2068 CB SER A 130 -6.818 3.751 11.680 1.00 9.81 C ATOM 2069 OG SER A 130 -6.566 2.792 10.667 1.00 10.25 O ATOM 0 H SER A 130 -5.306 4.988 10.167 1.00 9.49 H new ATOM 0 HA SER A 130 -5.749 5.106 12.960 1.00 10.16 H new ATOM 0 HB2 SER A 130 -7.328 3.274 12.517 1.00 9.81 H new ATOM 0 HB3 SER A 130 -7.486 4.522 11.297 1.00 9.81 H new ATOM 0 HG SER A 130 -6.652 3.215 9.787 1.00 10.25 H new ATOM 2075 N PHE A 131 -3.653 2.870 11.910 1.00 9.46 N ATOM 2076 CA PHE A 131 -2.710 1.839 12.318 1.00 9.57 C ATOM 2077 C PHE A 131 -1.439 2.441 12.914 1.00 9.98 C ATOM 2078 O PHE A 131 -0.912 1.936 13.904 1.00 10.80 O ATOM 2079 CB PHE A 131 -2.362 0.953 11.121 1.00 8.58 C ATOM 2080 CG PHE A 131 -3.555 0.578 10.285 1.00 8.00 C ATOM 2081 CD1 PHE A 131 -4.689 0.032 10.869 1.00 7.49 C ATOM 2082 CD2 PHE A 131 -3.546 0.781 8.914 1.00 8.07 C ATOM 2083 CE1 PHE A 131 -5.787 -0.306 10.101 1.00 6.97 C ATOM 2084 CE2 PHE A 131 -4.642 0.444 8.142 1.00 7.58 C ATOM 2085 CZ PHE A 131 -5.763 -0.099 8.737 1.00 6.97 C ATOM 0 H PHE A 131 -3.525 3.203 10.955 1.00 9.46 H new ATOM 0 HA PHE A 131 -3.184 1.237 13.093 1.00 9.57 H new ATOM 0 HB2 PHE A 131 -1.637 1.472 10.494 1.00 8.58 H new ATOM 0 HB3 PHE A 131 -1.880 0.044 11.480 1.00 8.58 H new ATOM 0 HD1 PHE A 131 -4.714 -0.131 11.936 1.00 7.49 H new ATOM 0 HD2 PHE A 131 -2.672 1.207 8.443 1.00 8.07 H new ATOM 0 HE1 PHE A 131 -6.663 -0.732 10.568 1.00 6.97 H new ATOM 0 HE2 PHE A 131 -4.621 0.605 7.074 1.00 7.58 H new ATOM 0 HZ PHE A 131 -6.621 -0.362 8.135 1.00 6.97 H new ATOM 2095 N GLY A 132 -0.952 3.521 12.309 1.00 9.45 N ATOM 2096 CA GLY A 132 0.257 4.160 12.801 1.00 9.82 C ATOM 2097 C GLY A 132 0.583 5.449 12.071 1.00 9.42 C ATOM 2098 O GLY A 132 -0.315 6.203 11.696 1.00 9.41 O ATOM 0 H GLY A 132 -1.370 3.964 11.491 1.00 9.45 H new ATOM 0 HA2 GLY A 132 0.144 4.370 13.865 1.00 9.82 H new ATOM 0 HA3 GLY A 132 1.094 3.469 12.699 1.00 9.82 H new ATOM 2102 N GLN A 133 1.875 5.701 11.872 1.00 9.20 N ATOM 2103 CA GLN A 133 2.326 6.905 11.185 1.00 8.95 C ATOM 2104 C GLN A 133 2.747 6.593 9.750 1.00 7.78 C ATOM 2105 O GLN A 133 3.566 5.708 9.510 1.00 7.16 O ATOM 2106 CB GLN A 133 3.490 7.546 11.946 1.00 9.43 C ATOM 2107 CG GLN A 133 4.181 8.667 11.184 1.00 9.26 C ATOM 2108 CD GLN A 133 3.226 9.768 10.766 1.00 9.65 C ATOM 2109 OE1 GLN A 133 2.240 10.045 11.449 1.00 10.41 O ATOM 2110 NE2 GLN A 133 3.513 10.399 9.634 1.00 9.25 N ATOM 0 H GLN A 133 2.628 5.085 12.178 1.00 9.20 H new ATOM 0 HA GLN A 133 1.493 7.607 11.152 1.00 8.95 H new ATOM 0 HB2 GLN A 133 3.120 7.938 12.893 1.00 9.43 H new ATOM 0 HB3 GLN A 133 4.224 6.776 12.184 1.00 9.43 H new ATOM 0 HG2 GLN A 133 4.968 9.092 11.807 1.00 9.26 H new ATOM 0 HG3 GLN A 133 4.663 8.254 10.298 1.00 9.26 H new ATOM 0 HE21 GLN A 133 4.341 10.136 9.100 1.00 9.25 H new ATOM 0 HE22 GLN A 133 2.905 11.146 9.299 1.00 9.25 H new ATOM 2119 N ILE A 134 2.186 7.336 8.804 1.00 7.58 N ATOM 2120 CA ILE A 134 2.492 7.146 7.391 1.00 6.58 C ATOM 2121 C ILE A 134 3.618 8.070 6.944 1.00 6.62 C ATOM 2122 O ILE A 134 3.524 9.290 7.079 1.00 7.42 O ATOM 2123 CB ILE A 134 1.239 7.391 6.516 1.00 6.45 C ATOM 2124 CG1 ILE A 134 0.286 6.201 6.614 1.00 6.02 C ATOM 2125 CG2 ILE A 134 1.618 7.650 5.062 1.00 5.90 C ATOM 2126 CD1 ILE A 134 -0.364 6.064 7.972 1.00 6.94 C ATOM 0 H ILE A 134 1.513 8.080 8.991 1.00 7.58 H new ATOM 0 HA ILE A 134 2.816 6.113 7.264 1.00 6.58 H new ATOM 0 HB ILE A 134 0.735 8.281 6.892 1.00 6.45 H new ATOM 0 HG12 ILE A 134 -0.491 6.303 5.856 1.00 6.02 H new ATOM 0 HG13 ILE A 134 0.834 5.286 6.387 1.00 6.02 H new ATOM 0 HG21 ILE A 134 0.715 7.818 4.475 1.00 5.90 H new ATOM 0 HG22 ILE A 134 2.258 8.531 5.004 1.00 5.90 H new ATOM 0 HG23 ILE A 134 2.153 6.787 4.666 1.00 5.90 H new ATOM 0 HD11 ILE A 134 -1.028 5.199 7.972 1.00 6.94 H new ATOM 0 HD12 ILE A 134 0.406 5.930 8.732 1.00 6.94 H new ATOM 0 HD13 ILE A 134 -0.939 6.963 8.192 1.00 6.94 H new ATOM 2138 N GLU A 135 4.682 7.478 6.411 1.00 5.83 N ATOM 2139 CA GLU A 135 5.823 8.248 5.938 1.00 5.88 C ATOM 2140 C GLU A 135 5.517 8.875 4.588 1.00 5.91 C ATOM 2141 O GLU A 135 5.761 10.062 4.372 1.00 6.67 O ATOM 2142 CB GLU A 135 7.061 7.362 5.834 1.00 5.10 C ATOM 2143 CG GLU A 135 7.695 7.061 7.178 1.00 5.50 C ATOM 2144 CD GLU A 135 8.196 8.309 7.877 1.00 6.06 C ATOM 2145 OE1 GLU A 135 7.415 8.918 8.638 1.00 6.66 O ATOM 2146 OE2 GLU A 135 9.371 8.678 7.663 1.00 6.00 O ATOM 0 H GLU A 135 4.776 6.469 6.297 1.00 5.83 H new ATOM 0 HA GLU A 135 6.021 9.042 6.658 1.00 5.88 H new ATOM 0 HB2 GLU A 135 6.789 6.424 5.350 1.00 5.10 H new ATOM 0 HB3 GLU A 135 7.796 7.850 5.194 1.00 5.10 H new ATOM 0 HG2 GLU A 135 6.967 6.559 7.815 1.00 5.50 H new ATOM 0 HG3 GLU A 135 8.526 6.369 7.037 1.00 5.50 H new ATOM 2153 N GLU A 136 4.981 8.067 3.682 1.00 5.21 N ATOM 2154 CA GLU A 136 4.637 8.543 2.351 1.00 5.43 C ATOM 2155 C GLU A 136 3.382 7.849 1.836 1.00 5.05 C ATOM 2156 O GLU A 136 3.211 6.641 2.008 1.00 4.20 O ATOM 2157 CB GLU A 136 5.800 8.311 1.385 1.00 5.17 C ATOM 2158 CG GLU A 136 5.576 8.911 0.007 1.00 5.90 C ATOM 2159 CD GLU A 136 6.761 8.707 -0.918 1.00 5.96 C ATOM 2160 OE1 GLU A 136 6.923 7.581 -1.433 1.00 5.95 O ATOM 2161 OE2 GLU A 136 7.524 9.672 -1.125 1.00 6.14 O ATOM 0 H GLU A 136 4.776 7.081 3.845 1.00 5.21 H new ATOM 0 HA GLU A 136 4.439 9.613 2.414 1.00 5.43 H new ATOM 0 HB2 GLU A 136 6.708 8.736 1.814 1.00 5.17 H new ATOM 0 HB3 GLU A 136 5.968 7.239 1.282 1.00 5.17 H new ATOM 0 HG2 GLU A 136 4.689 8.463 -0.441 1.00 5.90 H new ATOM 0 HG3 GLU A 136 5.378 9.978 0.107 1.00 5.90 H new ATOM 2168 N CYS A 137 2.508 8.621 1.204 1.00 5.74 N ATOM 2169 CA CYS A 137 1.269 8.088 0.656 1.00 5.52 C ATOM 2170 C CYS A 137 1.174 8.410 -0.827 1.00 5.95 C ATOM 2171 O CYS A 137 1.348 9.558 -1.235 1.00 6.88 O ATOM 2172 CB CYS A 137 0.061 8.664 1.396 1.00 6.14 C ATOM 2173 SG CYS A 137 -0.033 10.470 1.361 1.00 7.54 S ATOM 0 H CYS A 137 2.636 9.622 1.058 1.00 5.74 H new ATOM 0 HA CYS A 137 1.271 7.006 0.786 1.00 5.52 H new ATOM 0 HB2 CYS A 137 -0.849 8.255 0.958 1.00 6.14 H new ATOM 0 HB3 CYS A 137 0.092 8.332 2.434 1.00 6.14 H new ATOM 0 HG CYS A 137 0.426 10.906 0.226 1.00 7.54 H new ATOM 2179 N ARG A 138 0.899 7.391 -1.633 1.00 5.43 N ATOM 2180 CA ARG A 138 0.800 7.571 -3.072 1.00 6.08 C ATOM 2181 C ARG A 138 -0.382 6.811 -3.649 1.00 5.90 C ATOM 2182 O ARG A 138 -0.616 5.648 -3.316 1.00 5.02 O ATOM 2183 CB ARG A 138 2.091 7.121 -3.760 1.00 6.07 C ATOM 2184 CG ARG A 138 3.163 6.637 -2.797 1.00 5.34 C ATOM 2185 CD ARG A 138 4.359 6.059 -3.534 1.00 5.40 C ATOM 2186 NE ARG A 138 5.293 5.395 -2.628 1.00 4.64 N ATOM 2187 CZ ARG A 138 6.546 5.089 -2.955 1.00 4.78 C ATOM 2188 NH1 ARG A 138 7.013 5.396 -4.157 1.00 5.71 N ATOM 2189 NH2 ARG A 138 7.330 4.478 -2.079 1.00 4.08 N ATOM 0 H ARG A 138 0.741 6.435 -1.313 1.00 5.43 H new ATOM 0 HA ARG A 138 0.645 8.634 -3.258 1.00 6.08 H new ATOM 0 HB2 ARG A 138 1.858 6.320 -4.462 1.00 6.07 H new ATOM 0 HB3 ARG A 138 2.489 7.951 -4.344 1.00 6.07 H new ATOM 0 HG2 ARG A 138 3.488 7.466 -2.168 1.00 5.34 H new ATOM 0 HG3 ARG A 138 2.743 5.880 -2.135 1.00 5.34 H new ATOM 0 HD2 ARG A 138 4.013 5.347 -4.283 1.00 5.40 H new ATOM 0 HD3 ARG A 138 4.876 6.857 -4.067 1.00 5.40 H new ATOM 0 HE ARG A 138 4.966 5.152 -1.693 1.00 4.64 H new ATOM 0 HH11 ARG A 138 6.412 5.867 -4.833 1.00 5.71 H new ATOM 0 HH12 ARG A 138 7.974 5.161 -4.406 1.00 5.71 H new ATOM 0 HH21 ARG A 138 6.973 4.242 -1.153 1.00 4.08 H new ATOM 0 HH22 ARG A 138 8.290 4.244 -2.331 1.00 4.08 H new ATOM 2203 N ILE A 139 -1.127 7.485 -4.511 1.00 6.77 N ATOM 2204 CA ILE A 139 -2.284 6.894 -5.159 1.00 6.80 C ATOM 2205 C ILE A 139 -2.238 7.136 -6.654 1.00 7.75 C ATOM 2206 O ILE A 139 -1.731 8.159 -7.117 1.00 8.55 O ATOM 2207 CB ILE A 139 -3.626 7.412 -4.584 1.00 6.95 C ATOM 2208 CG1 ILE A 139 -4.351 6.260 -3.883 1.00 5.96 C ATOM 2209 CG2 ILE A 139 -4.509 8.031 -5.676 1.00 7.85 C ATOM 2210 CD1 ILE A 139 -5.808 6.529 -3.581 1.00 6.13 C ATOM 0 H ILE A 139 -0.947 8.452 -4.779 1.00 6.77 H new ATOM 0 HA ILE A 139 -2.238 5.824 -4.958 1.00 6.80 H new ATOM 0 HB ILE A 139 -3.415 8.201 -3.862 1.00 6.95 H new ATOM 0 HG12 ILE A 139 -4.281 5.369 -4.507 1.00 5.96 H new ATOM 0 HG13 ILE A 139 -3.835 6.037 -2.950 1.00 5.96 H new ATOM 0 HG21 ILE A 139 -5.441 8.383 -5.234 1.00 7.85 H new ATOM 0 HG22 ILE A 139 -3.986 8.870 -6.135 1.00 7.85 H new ATOM 0 HG23 ILE A 139 -4.728 7.281 -6.436 1.00 7.85 H new ATOM 0 HD11 ILE A 139 -6.243 5.661 -3.085 1.00 6.13 H new ATOM 0 HD12 ILE A 139 -5.890 7.399 -2.929 1.00 6.13 H new ATOM 0 HD13 ILE A 139 -6.343 6.721 -4.511 1.00 6.13 H new ATOM 2222 N LEU A 140 -2.771 6.190 -7.404 1.00 7.74 N ATOM 2223 CA LEU A 140 -2.810 6.304 -8.843 1.00 8.72 C ATOM 2224 C LEU A 140 -4.255 6.287 -9.295 1.00 9.04 C ATOM 2225 O LEU A 140 -5.014 5.334 -9.018 1.00 8.48 O ATOM 2226 CB LEU A 140 -2.039 5.155 -9.488 1.00 8.72 C ATOM 2227 CG LEU A 140 -0.686 4.845 -8.848 1.00 8.18 C ATOM 2228 CD1 LEU A 140 -0.113 3.557 -9.417 1.00 8.31 C ATOM 2229 CD2 LEU A 140 0.283 6.000 -9.058 1.00 8.71 C ATOM 0 H LEU A 140 -3.183 5.333 -7.036 1.00 7.74 H new ATOM 0 HA LEU A 140 -2.341 7.239 -9.149 1.00 8.72 H new ATOM 0 HB2 LEU A 140 -2.656 4.257 -9.450 1.00 8.72 H new ATOM 0 HB3 LEU A 140 -1.881 5.389 -10.541 1.00 8.72 H new ATOM 0 HG LEU A 140 -0.834 4.713 -7.776 1.00 8.18 H new ATOM 0 HD11 LEU A 140 0.850 3.350 -8.951 1.00 8.31 H new ATOM 0 HD12 LEU A 140 -0.798 2.734 -9.215 1.00 8.31 H new ATOM 0 HD13 LEU A 140 0.020 3.662 -10.494 1.00 8.31 H new ATOM 0 HD21 LEU A 140 1.240 5.760 -8.595 1.00 8.71 H new ATOM 0 HD22 LEU A 140 0.427 6.164 -10.126 1.00 8.71 H new ATOM 0 HD23 LEU A 140 -0.124 6.903 -8.603 1.00 8.71 H new ATOM 2241 N ARG A 141 -4.597 7.361 -10.002 1.00 9.99 N ATOM 2242 CA ARG A 141 -5.931 7.604 -10.520 1.00 10.47 C ATOM 2243 C ARG A 141 -5.859 8.102 -11.964 1.00 11.63 C ATOM 2244 O ARG A 141 -4.899 8.773 -12.342 1.00 12.15 O ATOM 2245 CB ARG A 141 -6.651 8.632 -9.637 1.00 10.48 C ATOM 2246 CG ARG A 141 -5.826 9.875 -9.334 1.00 10.88 C ATOM 2247 CD ARG A 141 -6.611 10.869 -8.492 1.00 11.35 C ATOM 2248 NE ARG A 141 -7.937 11.133 -9.047 1.00 11.42 N ATOM 2249 CZ ARG A 141 -8.544 12.315 -8.975 1.00 11.99 C ATOM 2250 NH1 ARG A 141 -7.957 13.331 -8.360 1.00 12.56 N ATOM 2251 NH2 ARG A 141 -9.745 12.478 -9.516 1.00 12.08 N ATOM 0 H ARG A 141 -3.935 8.101 -10.234 1.00 9.99 H new ATOM 0 HA ARG A 141 -6.492 6.669 -10.506 1.00 10.47 H new ATOM 0 HB2 ARG A 141 -7.576 8.933 -10.129 1.00 10.48 H new ATOM 0 HB3 ARG A 141 -6.930 8.156 -8.697 1.00 10.48 H new ATOM 0 HG2 ARG A 141 -4.915 9.590 -8.808 1.00 10.88 H new ATOM 0 HG3 ARG A 141 -5.521 10.348 -10.268 1.00 10.88 H new ATOM 0 HD2 ARG A 141 -6.713 10.483 -7.478 1.00 11.35 H new ATOM 0 HD3 ARG A 141 -6.055 11.804 -8.423 1.00 11.35 H new ATOM 0 HE ARG A 141 -8.424 10.369 -9.515 1.00 11.42 H new ATOM 0 HH11 ARG A 141 -7.036 13.209 -7.939 1.00 12.56 H new ATOM 0 HH12 ARG A 141 -8.426 14.235 -8.307 1.00 12.56 H new ATOM 0 HH21 ARG A 141 -10.202 11.697 -9.987 1.00 12.08 H new ATOM 0 HH22 ARG A 141 -10.210 13.384 -9.461 1.00 12.08 H new ATOM 2265 N GLY A 142 -6.869 7.777 -12.766 1.00 12.05 N ATOM 2266 CA GLY A 142 -6.866 8.205 -14.155 1.00 13.16 C ATOM 2267 C GLY A 142 -7.951 9.227 -14.455 1.00 13.83 C ATOM 2268 O GLY A 142 -9.000 9.225 -13.813 1.00 13.45 O ATOM 0 H GLY A 142 -7.682 7.230 -12.483 1.00 12.05 H new ATOM 0 HA2 GLY A 142 -5.893 8.632 -14.397 1.00 13.16 H new ATOM 0 HA3 GLY A 142 -7.002 7.336 -14.799 1.00 13.16 H new ATOM 2272 N PRO A 143 -7.719 10.124 -15.438 1.00 14.87 N ATOM 2273 CA PRO A 143 -8.682 11.173 -15.804 1.00 15.64 C ATOM 2274 C PRO A 143 -9.943 10.631 -16.469 1.00 15.86 C ATOM 2275 O PRO A 143 -10.789 11.401 -16.925 1.00 16.55 O ATOM 2276 CB PRO A 143 -7.900 12.048 -16.788 1.00 16.66 C ATOM 2277 CG PRO A 143 -6.877 11.137 -17.370 1.00 16.59 C ATOM 2278 CD PRO A 143 -6.502 10.183 -16.272 1.00 15.42 C ATOM 0 HA PRO A 143 -9.042 11.702 -14.922 1.00 15.64 H new ATOM 0 HB2 PRO A 143 -8.552 12.456 -17.560 1.00 16.66 H new ATOM 0 HB3 PRO A 143 -7.435 12.895 -16.283 1.00 16.66 H new ATOM 0 HG2 PRO A 143 -7.275 10.603 -18.232 1.00 16.59 H new ATOM 0 HG3 PRO A 143 -6.007 11.696 -17.715 1.00 16.59 H new ATOM 0 HD2 PRO A 143 -6.237 9.202 -16.666 1.00 15.42 H new ATOM 0 HD3 PRO A 143 -5.643 10.541 -15.704 1.00 15.42 H new ATOM 2286 N ASP A 144 -10.068 9.310 -16.528 1.00 15.31 N ATOM 2287 CA ASP A 144 -11.239 8.685 -17.135 1.00 15.50 C ATOM 2288 C ASP A 144 -12.504 9.080 -16.378 1.00 15.23 C ATOM 2289 O ASP A 144 -13.618 8.917 -16.876 1.00 15.58 O ATOM 2290 CB ASP A 144 -11.089 7.164 -17.142 1.00 14.89 C ATOM 2291 CG ASP A 144 -12.265 6.468 -17.798 1.00 15.23 C ATOM 2292 OD1 ASP A 144 -12.217 6.254 -19.028 1.00 15.02 O ATOM 2293 OD2 ASP A 144 -13.235 6.137 -17.082 1.00 15.79 O ATOM 0 H ASP A 144 -9.377 8.653 -16.165 1.00 15.31 H new ATOM 0 HA ASP A 144 -11.320 9.035 -18.164 1.00 15.50 H new ATOM 0 HB2 ASP A 144 -10.173 6.895 -17.667 1.00 14.89 H new ATOM 0 HB3 ASP A 144 -10.985 6.808 -16.117 1.00 14.89 H new ATOM 2298 N GLY A 145 -12.313 9.603 -15.171 1.00 14.64 N ATOM 2299 CA GLY A 145 -13.431 10.016 -14.344 1.00 14.42 C ATOM 2300 C GLY A 145 -13.358 9.399 -12.966 1.00 13.31 C ATOM 2301 O GLY A 145 -14.089 9.792 -12.054 1.00 13.11 O ATOM 0 H GLY A 145 -11.396 9.749 -14.749 1.00 14.64 H new ATOM 0 HA2 GLY A 145 -13.439 11.103 -14.257 1.00 14.42 H new ATOM 0 HA3 GLY A 145 -14.366 9.728 -14.824 1.00 14.42 H new ATOM 2305 N LEU A 146 -12.468 8.424 -12.822 1.00 12.64 N ATOM 2306 CA LEU A 146 -12.275 7.728 -11.559 1.00 11.55 C ATOM 2307 C LEU A 146 -10.834 7.242 -11.431 1.00 11.12 C ATOM 2308 O LEU A 146 -10.088 7.224 -12.411 1.00 11.67 O ATOM 2309 CB LEU A 146 -13.248 6.544 -11.441 1.00 10.90 C ATOM 2310 CG LEU A 146 -13.495 5.721 -12.720 1.00 11.20 C ATOM 2311 CD1 LEU A 146 -14.437 6.450 -13.665 1.00 12.22 C ATOM 2312 CD2 LEU A 146 -12.186 5.391 -13.427 1.00 11.35 C ATOM 0 H LEU A 146 -11.863 8.096 -13.575 1.00 12.64 H new ATOM 0 HA LEU A 146 -12.480 8.427 -10.748 1.00 11.55 H new ATOM 0 HB2 LEU A 146 -12.873 5.871 -10.670 1.00 10.90 H new ATOM 0 HB3 LEU A 146 -14.207 6.926 -11.091 1.00 10.90 H new ATOM 0 HG LEU A 146 -13.965 4.784 -12.420 1.00 11.20 H new ATOM 0 HD11 LEU A 146 -14.594 5.847 -14.559 1.00 12.22 H new ATOM 0 HD12 LEU A 146 -15.393 6.618 -13.168 1.00 12.22 H new ATOM 0 HD13 LEU A 146 -14.001 7.409 -13.946 1.00 12.22 H new ATOM 0 HD21 LEU A 146 -12.394 4.810 -14.325 1.00 11.35 H new ATOM 0 HD22 LEU A 146 -11.678 6.315 -13.702 1.00 11.35 H new ATOM 0 HD23 LEU A 146 -11.548 4.811 -12.760 1.00 11.35 H new ATOM 2324 N SER A 147 -10.438 6.857 -10.223 1.00 10.17 N ATOM 2325 CA SER A 147 -9.091 6.366 -9.991 1.00 9.69 C ATOM 2326 C SER A 147 -8.926 4.951 -10.531 1.00 9.46 C ATOM 2327 O SER A 147 -9.745 4.074 -10.255 1.00 8.99 O ATOM 2328 CB SER A 147 -8.769 6.388 -8.494 1.00 8.75 C ATOM 2329 OG SER A 147 -9.604 5.498 -7.776 1.00 8.22 O ATOM 0 H SER A 147 -11.031 6.876 -9.393 1.00 10.17 H new ATOM 0 HA SER A 147 -8.398 7.022 -10.518 1.00 9.69 H new ATOM 0 HB2 SER A 147 -7.725 6.115 -8.340 1.00 8.75 H new ATOM 0 HB3 SER A 147 -8.894 7.399 -8.108 1.00 8.75 H new ATOM 0 HG SER A 147 -9.375 5.531 -6.824 1.00 8.22 H new ATOM 2335 N ARG A 148 -7.864 4.741 -11.314 1.00 9.89 N ATOM 2336 CA ARG A 148 -7.568 3.429 -11.882 1.00 9.93 C ATOM 2337 C ARG A 148 -7.737 2.353 -10.820 1.00 8.90 C ATOM 2338 O ARG A 148 -8.110 1.219 -11.116 1.00 8.92 O ATOM 2339 CB ARG A 148 -6.136 3.388 -12.419 1.00 10.37 C ATOM 2340 CG ARG A 148 -5.094 3.689 -11.353 1.00 9.67 C ATOM 2341 CD ARG A 148 -3.736 3.107 -11.701 1.00 9.77 C ATOM 2342 NE ARG A 148 -3.084 3.836 -12.785 1.00 10.74 N ATOM 2343 CZ ARG A 148 -1.999 3.399 -13.417 1.00 11.24 C ATOM 2344 NH1 ARG A 148 -1.449 2.241 -13.079 1.00 10.90 N ATOM 2345 NH2 ARG A 148 -1.463 4.122 -14.393 1.00 12.22 N ATOM 0 H ARG A 148 -7.195 5.468 -11.568 1.00 9.89 H new ATOM 0 HA ARG A 148 -8.262 3.246 -12.703 1.00 9.93 H new ATOM 0 HB2 ARG A 148 -5.941 2.403 -12.843 1.00 10.37 H new ATOM 0 HB3 ARG A 148 -6.037 4.109 -13.230 1.00 10.37 H new ATOM 0 HG2 ARG A 148 -5.004 4.768 -11.229 1.00 9.67 H new ATOM 0 HG3 ARG A 148 -5.427 3.285 -10.397 1.00 9.67 H new ATOM 0 HD2 ARG A 148 -3.098 3.126 -10.818 1.00 9.77 H new ATOM 0 HD3 ARG A 148 -3.853 2.062 -11.988 1.00 9.77 H new ATOM 0 HE ARG A 148 -3.483 4.729 -13.073 1.00 10.74 H new ATOM 0 HH11 ARG A 148 -1.858 1.681 -12.331 1.00 10.90 H new ATOM 0 HH12 ARG A 148 -0.617 1.910 -13.567 1.00 10.90 H new ATOM 0 HH21 ARG A 148 -1.884 5.013 -14.658 1.00 12.22 H new ATOM 0 HH22 ARG A 148 -0.631 3.787 -14.878 1.00 12.22 H new ATOM 2359 N GLY A 149 -7.449 2.733 -9.578 1.00 8.07 N ATOM 2360 CA GLY A 149 -7.583 1.816 -8.471 1.00 7.06 C ATOM 2361 C GLY A 149 -6.271 1.194 -8.040 1.00 6.63 C ATOM 2362 O GLY A 149 -6.235 0.010 -7.706 1.00 6.24 O ATOM 0 H GLY A 149 -7.124 3.666 -9.323 1.00 8.07 H new ATOM 0 HA2 GLY A 149 -8.022 2.343 -7.624 1.00 7.06 H new ATOM 0 HA3 GLY A 149 -8.278 1.023 -8.748 1.00 7.06 H new ATOM 2366 N CYS A 150 -5.183 1.969 -8.039 1.00 6.80 N ATOM 2367 CA CYS A 150 -3.894 1.415 -7.613 1.00 6.41 C ATOM 2368 C CYS A 150 -3.160 2.396 -6.713 1.00 5.95 C ATOM 2369 O CYS A 150 -3.096 3.577 -7.014 1.00 6.46 O ATOM 2370 CB CYS A 150 -3.036 1.047 -8.820 1.00 7.32 C ATOM 2371 SG CYS A 150 -3.921 0.135 -10.104 1.00 8.04 S ATOM 0 H CYS A 150 -5.165 2.950 -8.318 1.00 6.80 H new ATOM 0 HA CYS A 150 -4.087 0.506 -7.044 1.00 6.41 H new ATOM 0 HB2 CYS A 150 -2.628 1.960 -9.254 1.00 7.32 H new ATOM 0 HB3 CYS A 150 -2.190 0.449 -8.482 1.00 7.32 H new ATOM 0 HG CYS A 150 -4.471 -0.922 -9.584 1.00 8.04 H new ATOM 2377 N ALA A 151 -2.600 1.904 -5.608 1.00 5.10 N ATOM 2378 CA ALA A 151 -1.910 2.781 -4.664 1.00 4.66 C ATOM 2379 C ALA A 151 -0.713 2.117 -3.983 1.00 4.11 C ATOM 2380 O ALA A 151 -0.694 0.906 -3.762 1.00 3.84 O ATOM 2381 CB ALA A 151 -2.892 3.279 -3.623 1.00 4.12 C ATOM 0 H ALA A 151 -2.610 0.918 -5.347 1.00 5.10 H new ATOM 0 HA ALA A 151 -1.511 3.616 -5.240 1.00 4.66 H new ATOM 0 HB1 ALA A 151 -2.376 3.933 -2.920 1.00 4.12 H new ATOM 0 HB2 ALA A 151 -3.692 3.833 -4.113 1.00 4.12 H new ATOM 0 HB3 ALA A 151 -3.315 2.430 -3.086 1.00 4.12 H new ATOM 2387 N PHE A 152 0.290 2.937 -3.660 1.00 4.15 N ATOM 2388 CA PHE A 152 1.498 2.472 -2.981 1.00 3.65 C ATOM 2389 C PHE A 152 1.679 3.248 -1.676 1.00 3.07 C ATOM 2390 O PHE A 152 1.323 4.423 -1.597 1.00 3.60 O ATOM 2391 CB PHE A 152 2.732 2.663 -3.870 1.00 4.44 C ATOM 2392 CG PHE A 152 2.559 2.173 -5.282 1.00 5.27 C ATOM 2393 CD1 PHE A 152 1.977 0.942 -5.544 1.00 5.74 C ATOM 2394 CD2 PHE A 152 2.985 2.949 -6.349 1.00 5.76 C ATOM 2395 CE1 PHE A 152 1.824 0.496 -6.844 1.00 6.61 C ATOM 2396 CE2 PHE A 152 2.835 2.507 -7.648 1.00 6.72 C ATOM 2397 CZ PHE A 152 2.252 1.280 -7.896 1.00 7.13 C ATOM 0 H PHE A 152 0.286 3.937 -3.861 1.00 4.15 H new ATOM 0 HA PHE A 152 1.389 1.409 -2.767 1.00 3.65 H new ATOM 0 HB2 PHE A 152 2.988 3.722 -3.894 1.00 4.44 H new ATOM 0 HB3 PHE A 152 3.576 2.142 -3.418 1.00 4.44 H new ATOM 0 HD1 PHE A 152 1.640 0.325 -4.724 1.00 5.74 H new ATOM 0 HD2 PHE A 152 3.440 3.911 -6.162 1.00 5.76 H new ATOM 0 HE1 PHE A 152 1.370 -0.465 -7.036 1.00 6.61 H new ATOM 0 HE2 PHE A 152 3.173 3.120 -8.470 1.00 6.72 H new ATOM 0 HZ PHE A 152 2.131 0.934 -8.912 1.00 7.13 H new ATOM 2407 N VAL A 153 2.216 2.589 -0.650 1.00 2.26 N ATOM 2408 CA VAL A 153 2.408 3.231 0.652 1.00 2.07 C ATOM 2409 C VAL A 153 3.747 2.864 1.295 1.00 1.71 C ATOM 2410 O VAL A 153 4.271 1.772 1.100 1.00 1.46 O ATOM 2411 CB VAL A 153 1.269 2.874 1.636 1.00 1.96 C ATOM 2412 CG1 VAL A 153 1.490 3.544 2.987 1.00 2.68 C ATOM 2413 CG2 VAL A 153 -0.082 3.275 1.068 1.00 2.36 C ATOM 0 H VAL A 153 2.524 1.618 -0.693 1.00 2.26 H new ATOM 0 HA VAL A 153 2.399 4.303 0.455 1.00 2.07 H new ATOM 0 HB VAL A 153 1.278 1.793 1.779 1.00 1.96 H new ATOM 0 HG11 VAL A 153 0.677 3.278 3.662 1.00 2.68 H new ATOM 0 HG12 VAL A 153 2.437 3.208 3.409 1.00 2.68 H new ATOM 0 HG13 VAL A 153 1.515 4.626 2.857 1.00 2.68 H new ATOM 0 HG21 VAL A 153 -0.867 3.014 1.778 1.00 2.36 H new ATOM 0 HG22 VAL A 153 -0.097 4.350 0.890 1.00 2.36 H new ATOM 0 HG23 VAL A 153 -0.252 2.749 0.129 1.00 2.36 H new ATOM 2423 N THR A 154 4.293 3.808 2.053 1.00 2.20 N ATOM 2424 CA THR A 154 5.547 3.627 2.771 1.00 2.13 C ATOM 2425 C THR A 154 5.250 3.862 4.249 1.00 2.87 C ATOM 2426 O THR A 154 4.690 4.900 4.611 1.00 3.63 O ATOM 2427 CB THR A 154 6.616 4.620 2.276 1.00 2.53 C ATOM 2428 OG1 THR A 154 6.755 4.522 0.854 1.00 2.59 O ATOM 2429 CG2 THR A 154 7.960 4.370 2.932 1.00 2.45 C ATOM 0 H THR A 154 3.873 4.728 2.187 1.00 2.20 H new ATOM 0 HA THR A 154 5.940 2.624 2.603 1.00 2.13 H new ATOM 0 HB THR A 154 6.285 5.622 2.549 1.00 2.53 H new ATOM 0 HG1 THR A 154 7.435 5.158 0.547 1.00 2.59 H new ATOM 0 HG21 THR A 154 8.687 5.090 2.557 1.00 2.45 H new ATOM 0 HG22 THR A 154 7.864 4.480 4.012 1.00 2.45 H new ATOM 0 HG23 THR A 154 8.296 3.360 2.699 1.00 2.45 H new ATOM 2437 N PHE A 155 5.631 2.918 5.108 1.00 3.05 N ATOM 2438 CA PHE A 155 5.274 3.038 6.536 1.00 4.10 C ATOM 2439 C PHE A 155 6.458 3.007 7.502 1.00 4.59 C ATOM 2440 O PHE A 155 7.227 2.061 7.530 1.00 4.50 O ATOM 2441 CB PHE A 155 4.301 1.918 6.903 1.00 4.47 C ATOM 2442 CG PHE A 155 3.237 2.339 7.874 1.00 5.26 C ATOM 2443 CD1 PHE A 155 3.552 2.575 9.203 1.00 6.22 C ATOM 2444 CD2 PHE A 155 1.926 2.497 7.460 1.00 5.12 C ATOM 2445 CE1 PHE A 155 2.578 2.961 10.100 1.00 7.05 C ATOM 2446 CE2 PHE A 155 0.946 2.882 8.353 1.00 5.96 C ATOM 2447 CZ PHE A 155 1.265 3.123 9.664 1.00 6.93 C ATOM 0 H PHE A 155 6.168 2.087 4.861 1.00 3.05 H new ATOM 0 HA PHE A 155 4.825 4.025 6.648 1.00 4.10 H new ATOM 0 HB2 PHE A 155 3.826 1.549 5.994 1.00 4.47 H new ATOM 0 HB3 PHE A 155 4.862 1.086 7.330 1.00 4.47 H new ATOM 0 HD1 PHE A 155 4.571 2.455 9.540 1.00 6.22 H new ATOM 0 HD2 PHE A 155 1.667 2.317 6.427 1.00 5.12 H new ATOM 0 HE1 PHE A 155 2.832 3.137 11.135 1.00 7.05 H new ATOM 0 HE2 PHE A 155 -0.075 2.994 8.018 1.00 5.96 H new ATOM 0 HZ PHE A 155 0.500 3.438 10.358 1.00 6.93 H new ATOM 2457 N THR A 156 6.526 4.032 8.356 1.00 5.34 N ATOM 2458 CA THR A 156 7.590 4.179 9.357 1.00 5.91 C ATOM 2459 C THR A 156 8.251 2.852 9.730 1.00 6.07 C ATOM 2460 O THR A 156 9.394 2.598 9.352 1.00 5.70 O ATOM 2461 CB THR A 156 7.057 4.845 10.638 1.00 7.03 C ATOM 2462 OG1 THR A 156 5.941 4.106 11.152 1.00 7.51 O ATOM 2463 CG2 THR A 156 6.638 6.278 10.363 1.00 7.22 C ATOM 0 H THR A 156 5.841 4.788 8.374 1.00 5.34 H new ATOM 0 HA THR A 156 8.345 4.812 8.891 1.00 5.91 H new ATOM 0 HB THR A 156 7.857 4.850 11.378 1.00 7.03 H new ATOM 0 HG1 THR A 156 5.231 4.073 10.477 1.00 7.51 H new ATOM 0 HG21 THR A 156 6.264 6.730 11.282 1.00 7.22 H new ATOM 0 HG22 THR A 156 7.496 6.845 10.002 1.00 7.22 H new ATOM 0 HG23 THR A 156 5.852 6.289 9.608 1.00 7.22 H new ATOM 2471 N THR A 157 7.537 2.008 10.474 1.00 6.77 N ATOM 2472 CA THR A 157 8.083 0.722 10.888 1.00 7.26 C ATOM 2473 C THR A 157 7.482 -0.419 10.075 1.00 6.99 C ATOM 2474 O THR A 157 6.329 -0.348 9.647 1.00 6.85 O ATOM 2475 CB THR A 157 7.838 0.459 12.386 1.00 8.46 C ATOM 2476 OG1 THR A 157 6.444 0.586 12.686 1.00 8.78 O ATOM 2477 CG2 THR A 157 8.637 1.431 13.242 1.00 8.87 C ATOM 0 H THR A 157 6.588 2.192 10.799 1.00 6.77 H new ATOM 0 HA THR A 157 9.157 0.764 10.709 1.00 7.26 H new ATOM 0 HB THR A 157 8.165 -0.556 12.612 1.00 8.46 H new ATOM 0 HG1 THR A 157 6.298 0.415 13.640 1.00 8.78 H new ATOM 0 HG21 THR A 157 8.449 1.227 14.296 1.00 8.87 H new ATOM 0 HG22 THR A 157 9.700 1.311 13.033 1.00 8.87 H new ATOM 0 HG23 THR A 157 8.335 2.453 13.011 1.00 8.87 H new ATOM 2485 N ARG A 158 8.271 -1.467 9.865 1.00 7.05 N ATOM 2486 CA ARG A 158 7.815 -2.619 9.097 1.00 7.06 C ATOM 2487 C ARG A 158 6.696 -3.350 9.824 1.00 7.86 C ATOM 2488 O ARG A 158 5.679 -3.695 9.223 1.00 7.67 O ATOM 2489 CB ARG A 158 8.971 -3.586 8.841 1.00 7.38 C ATOM 2490 CG ARG A 158 10.233 -2.908 8.341 1.00 7.76 C ATOM 2491 CD ARG A 158 11.399 -3.162 9.279 1.00 8.64 C ATOM 2492 NE ARG A 158 11.049 -2.871 10.667 1.00 8.78 N ATOM 2493 CZ ARG A 158 11.531 -3.547 11.707 1.00 9.57 C ATOM 2494 NH1 ARG A 158 12.380 -4.549 11.517 1.00 10.24 N ATOM 2495 NH2 ARG A 158 11.160 -3.222 12.937 1.00 9.80 N ATOM 0 H ARG A 158 9.226 -1.542 10.215 1.00 7.05 H new ATOM 0 HA ARG A 158 7.435 -2.252 8.144 1.00 7.06 H new ATOM 0 HB2 ARG A 158 9.197 -4.120 9.764 1.00 7.38 H new ATOM 0 HB3 ARG A 158 8.655 -4.331 8.110 1.00 7.38 H new ATOM 0 HG2 ARG A 158 10.477 -3.277 7.345 1.00 7.76 H new ATOM 0 HG3 ARG A 158 10.062 -1.835 8.251 1.00 7.76 H new ATOM 0 HD2 ARG A 158 11.715 -4.202 9.194 1.00 8.64 H new ATOM 0 HD3 ARG A 158 12.247 -2.546 8.981 1.00 8.64 H new ATOM 0 HE ARG A 158 10.399 -2.107 10.849 1.00 8.78 H new ATOM 0 HH11 ARG A 158 12.665 -4.803 10.571 1.00 10.24 H new ATOM 0 HH12 ARG A 158 12.747 -5.065 12.317 1.00 10.24 H new ATOM 0 HH21 ARG A 158 10.505 -2.454 13.086 1.00 9.80 H new ATOM 0 HH22 ARG A 158 11.529 -3.740 13.735 1.00 9.80 H new ATOM 2509 N ALA A 159 6.880 -3.572 11.123 1.00 8.79 N ATOM 2510 CA ALA A 159 5.879 -4.274 11.916 1.00 9.64 C ATOM 2511 C ALA A 159 4.526 -3.589 11.805 1.00 9.32 C ATOM 2512 O ALA A 159 3.512 -4.238 11.545 1.00 9.45 O ATOM 2513 CB ALA A 159 6.318 -4.355 13.372 1.00 10.64 C ATOM 0 H ALA A 159 7.706 -3.278 11.644 1.00 8.79 H new ATOM 0 HA ALA A 159 5.781 -5.287 11.525 1.00 9.64 H new ATOM 0 HB1 ALA A 159 5.560 -4.882 13.952 1.00 10.64 H new ATOM 0 HB2 ALA A 159 7.264 -4.893 13.437 1.00 10.64 H new ATOM 0 HB3 ALA A 159 6.445 -3.348 13.770 1.00 10.64 H new ATOM 2519 N MET A 160 4.522 -2.270 11.960 1.00 8.95 N ATOM 2520 CA MET A 160 3.291 -1.505 11.863 1.00 8.73 C ATOM 2521 C MET A 160 2.693 -1.672 10.477 1.00 7.79 C ATOM 2522 O MET A 160 1.478 -1.764 10.316 1.00 7.78 O ATOM 2523 CB MET A 160 3.551 -0.027 12.158 1.00 8.63 C ATOM 2524 CG MET A 160 2.317 0.726 12.622 1.00 9.38 C ATOM 2525 SD MET A 160 1.591 0.023 14.116 1.00 10.41 S ATOM 2526 CE MET A 160 2.933 0.249 15.280 1.00 11.44 C ATOM 0 H MET A 160 5.355 -1.713 12.152 1.00 8.95 H new ATOM 0 HA MET A 160 2.584 -1.879 12.603 1.00 8.73 H new ATOM 0 HB2 MET A 160 4.324 0.052 12.923 1.00 8.63 H new ATOM 0 HB3 MET A 160 3.942 0.451 11.260 1.00 8.63 H new ATOM 0 HG2 MET A 160 2.580 1.767 12.807 1.00 9.38 H new ATOM 0 HG3 MET A 160 1.573 0.722 11.825 1.00 9.38 H new ATOM 0 HE1 MET A 160 2.553 0.151 16.297 1.00 11.44 H new ATOM 0 HE2 MET A 160 3.698 -0.507 15.104 1.00 11.44 H new ATOM 0 HE3 MET A 160 3.366 1.241 15.148 1.00 11.44 H new ATOM 2536 N ALA A 161 3.566 -1.737 9.477 1.00 7.04 N ATOM 2537 CA ALA A 161 3.130 -1.906 8.103 1.00 6.16 C ATOM 2538 C ALA A 161 2.411 -3.235 7.948 1.00 6.64 C ATOM 2539 O ALA A 161 1.373 -3.325 7.292 1.00 6.28 O ATOM 2540 CB ALA A 161 4.317 -1.836 7.157 1.00 5.48 C ATOM 0 H ALA A 161 4.577 -1.675 9.596 1.00 7.04 H new ATOM 0 HA ALA A 161 2.441 -1.099 7.852 1.00 6.16 H new ATOM 0 HB1 ALA A 161 3.973 -1.965 6.131 1.00 5.48 H new ATOM 0 HB2 ALA A 161 4.805 -0.867 7.257 1.00 5.48 H new ATOM 0 HB3 ALA A 161 5.026 -2.627 7.404 1.00 5.48 H new ATOM 2546 N GLN A 162 2.957 -4.262 8.592 1.00 7.56 N ATOM 2547 CA GLN A 162 2.381 -5.591 8.523 1.00 8.22 C ATOM 2548 C GLN A 162 0.992 -5.594 9.135 1.00 8.56 C ATOM 2549 O GLN A 162 0.116 -6.348 8.711 1.00 8.70 O ATOM 2550 CB GLN A 162 3.285 -6.598 9.233 1.00 9.22 C ATOM 2551 CG GLN A 162 4.611 -6.818 8.525 1.00 9.05 C ATOM 2552 CD GLN A 162 5.483 -7.840 9.227 1.00 10.06 C ATOM 2553 OE1 GLN A 162 4.986 -8.760 9.876 1.00 10.94 O ATOM 2554 NE2 GLN A 162 6.795 -7.682 9.099 1.00 9.99 N ATOM 0 H GLN A 162 3.797 -4.194 9.166 1.00 7.56 H new ATOM 0 HA GLN A 162 2.297 -5.883 7.476 1.00 8.22 H new ATOM 0 HB2 GLN A 162 3.476 -6.251 10.249 1.00 9.22 H new ATOM 0 HB3 GLN A 162 2.762 -7.551 9.315 1.00 9.22 H new ATOM 0 HG2 GLN A 162 4.423 -7.147 7.503 1.00 9.05 H new ATOM 0 HG3 GLN A 162 5.147 -5.871 8.462 1.00 9.05 H new ATOM 0 HE21 GLN A 162 7.164 -6.905 8.551 1.00 9.99 H new ATOM 0 HE22 GLN A 162 7.434 -8.338 9.548 1.00 9.99 H new ATOM 2563 N THR A 163 0.789 -4.728 10.124 1.00 8.76 N ATOM 2564 CA THR A 163 -0.502 -4.627 10.781 1.00 9.19 C ATOM 2565 C THR A 163 -1.569 -4.256 9.763 1.00 8.39 C ATOM 2566 O THR A 163 -2.661 -4.828 9.753 1.00 8.67 O ATOM 2567 CB THR A 163 -0.481 -3.584 11.917 1.00 9.62 C ATOM 2568 OG1 THR A 163 0.421 -4.002 12.948 1.00 10.45 O ATOM 2569 CG2 THR A 163 -1.871 -3.386 12.506 1.00 10.08 C ATOM 0 H THR A 163 1.500 -4.091 10.483 1.00 8.76 H new ATOM 0 HA THR A 163 -0.731 -5.598 11.221 1.00 9.19 H new ATOM 0 HB THR A 163 -0.145 -2.635 11.498 1.00 9.62 H new ATOM 0 HG1 THR A 163 0.430 -3.334 13.665 1.00 10.45 H new ATOM 0 HG21 THR A 163 -1.826 -2.645 13.305 1.00 10.08 H new ATOM 0 HG22 THR A 163 -2.550 -3.039 11.727 1.00 10.08 H new ATOM 0 HG23 THR A 163 -2.234 -4.332 12.909 1.00 10.08 H new ATOM 2577 N ALA A 164 -1.228 -3.316 8.881 1.00 7.40 N ATOM 2578 CA ALA A 164 -2.150 -2.868 7.850 1.00 6.57 C ATOM 2579 C ALA A 164 -2.620 -4.046 7.015 1.00 6.51 C ATOM 2580 O ALA A 164 -3.783 -4.119 6.621 1.00 6.33 O ATOM 2581 CB ALA A 164 -1.486 -1.836 6.954 1.00 5.56 C ATOM 0 H ALA A 164 -0.319 -2.853 8.864 1.00 7.40 H new ATOM 0 HA ALA A 164 -3.011 -2.410 8.337 1.00 6.57 H new ATOM 0 HB1 ALA A 164 -2.191 -1.512 6.188 1.00 5.56 H new ATOM 0 HB2 ALA A 164 -1.180 -0.978 7.552 1.00 5.56 H new ATOM 0 HB3 ALA A 164 -0.610 -2.277 6.478 1.00 5.56 H new ATOM 2587 N ILE A 165 -1.704 -4.972 6.761 1.00 6.81 N ATOM 2588 CA ILE A 165 -2.016 -6.147 5.970 1.00 7.06 C ATOM 2589 C ILE A 165 -3.138 -6.941 6.616 1.00 7.79 C ATOM 2590 O ILE A 165 -4.095 -7.330 5.954 1.00 7.66 O ATOM 2591 CB ILE A 165 -0.777 -7.050 5.798 1.00 7.65 C ATOM 2592 CG1 ILE A 165 0.337 -6.283 5.083 1.00 6.92 C ATOM 2593 CG2 ILE A 165 -1.139 -8.316 5.034 1.00 8.25 C ATOM 2594 CD1 ILE A 165 1.592 -7.099 4.865 1.00 7.54 C ATOM 0 H ILE A 165 -0.740 -4.929 7.093 1.00 6.81 H new ATOM 0 HA ILE A 165 -2.336 -5.806 4.986 1.00 7.06 H new ATOM 0 HB ILE A 165 -0.417 -7.343 6.784 1.00 7.65 H new ATOM 0 HG12 ILE A 165 -0.033 -5.937 4.118 1.00 6.92 H new ATOM 0 HG13 ILE A 165 0.587 -5.396 5.665 1.00 6.92 H new ATOM 0 HG21 ILE A 165 -0.252 -8.940 4.923 1.00 8.25 H new ATOM 0 HG22 ILE A 165 -1.903 -8.866 5.583 1.00 8.25 H new ATOM 0 HG23 ILE A 165 -1.521 -8.050 4.049 1.00 8.25 H new ATOM 0 HD11 ILE A 165 2.337 -6.490 4.353 1.00 7.54 H new ATOM 0 HD12 ILE A 165 1.987 -7.423 5.828 1.00 7.54 H new ATOM 0 HD13 ILE A 165 1.357 -7.972 4.257 1.00 7.54 H new ATOM 2606 N LYS A 166 -3.041 -7.152 7.919 1.00 8.61 N ATOM 2607 CA LYS A 166 -4.064 -7.903 8.623 1.00 9.40 C ATOM 2608 C LYS A 166 -5.364 -7.114 8.635 1.00 8.92 C ATOM 2609 O LYS A 166 -6.446 -7.679 8.753 1.00 9.17 O ATOM 2610 CB LYS A 166 -3.617 -8.231 10.051 1.00 10.41 C ATOM 2611 CG LYS A 166 -4.634 -9.040 10.844 1.00 11.21 C ATOM 2612 CD LYS A 166 -5.171 -10.221 10.052 1.00 11.56 C ATOM 2613 CE LYS A 166 -5.649 -11.326 10.974 1.00 12.63 C ATOM 2614 NZ LYS A 166 -4.515 -12.042 11.617 1.00 13.37 N ATOM 0 H LYS A 166 -2.274 -6.818 8.503 1.00 8.61 H new ATOM 0 HA LYS A 166 -4.227 -8.846 8.101 1.00 9.40 H new ATOM 0 HB2 LYS A 166 -2.679 -8.785 10.010 1.00 10.41 H new ATOM 0 HB3 LYS A 166 -3.415 -7.300 10.581 1.00 10.41 H new ATOM 0 HG2 LYS A 166 -4.172 -9.401 11.763 1.00 11.21 H new ATOM 0 HG3 LYS A 166 -5.462 -8.394 11.136 1.00 11.21 H new ATOM 0 HD2 LYS A 166 -5.993 -9.893 9.416 1.00 11.56 H new ATOM 0 HD3 LYS A 166 -4.392 -10.605 9.393 1.00 11.56 H new ATOM 0 HE2 LYS A 166 -6.294 -10.903 11.744 1.00 12.63 H new ATOM 0 HE3 LYS A 166 -6.252 -12.036 10.408 1.00 12.63 H new ATOM 0 HZ1 LYS A 166 -4.846 -12.957 11.985 1.00 13.37 H new ATOM 0 HZ2 LYS A 166 -3.763 -12.202 10.916 1.00 13.37 H new ATOM 0 HZ3 LYS A 166 -4.142 -11.469 12.400 1.00 13.37 H new ATOM 2628 N ALA A 167 -5.237 -5.798 8.551 1.00 8.28 N ATOM 2629 CA ALA A 167 -6.388 -4.907 8.539 1.00 7.90 C ATOM 2630 C ALA A 167 -7.072 -4.850 7.170 1.00 6.96 C ATOM 2631 O ALA A 167 -8.271 -4.583 7.085 1.00 6.80 O ATOM 2632 CB ALA A 167 -5.968 -3.514 8.975 1.00 7.77 C ATOM 0 H ALA A 167 -4.338 -5.320 8.490 1.00 8.28 H new ATOM 0 HA ALA A 167 -7.117 -5.309 9.242 1.00 7.90 H new ATOM 0 HB1 ALA A 167 -6.834 -2.853 8.964 1.00 7.77 H new ATOM 0 HB2 ALA A 167 -5.557 -3.557 9.984 1.00 7.77 H new ATOM 0 HB3 ALA A 167 -5.211 -3.132 8.291 1.00 7.77 H new ATOM 2638 N MET A 168 -6.313 -5.097 6.098 1.00 6.41 N ATOM 2639 CA MET A 168 -6.865 -5.006 4.741 1.00 5.59 C ATOM 2640 C MET A 168 -6.816 -6.324 3.976 1.00 6.06 C ATOM 2641 O MET A 168 -7.810 -6.739 3.389 1.00 6.21 O ATOM 2642 CB MET A 168 -6.092 -3.958 3.944 1.00 4.61 C ATOM 2643 CG MET A 168 -6.052 -2.594 4.605 1.00 4.37 C ATOM 2644 SD MET A 168 -5.218 -1.362 3.587 1.00 4.25 S ATOM 2645 CE MET A 168 -6.371 -1.216 2.224 1.00 4.06 C ATOM 0 H MET A 168 -5.328 -5.358 6.140 1.00 6.41 H new ATOM 0 HA MET A 168 -7.914 -4.731 4.855 1.00 5.59 H new ATOM 0 HB2 MET A 168 -5.071 -4.309 3.794 1.00 4.61 H new ATOM 0 HB3 MET A 168 -6.543 -3.860 2.957 1.00 4.61 H new ATOM 0 HG2 MET A 168 -7.070 -2.263 4.811 1.00 4.37 H new ATOM 0 HG3 MET A 168 -5.542 -2.673 5.565 1.00 4.37 H new ATOM 0 HE1 MET A 168 -6.050 -0.413 1.560 1.00 4.06 H new ATOM 0 HE2 MET A 168 -6.401 -2.154 1.670 1.00 4.06 H new ATOM 0 HE3 MET A 168 -7.365 -0.992 2.611 1.00 4.06 H new ATOM 2655 N HIS A 169 -5.652 -6.953 3.957 1.00 6.40 N ATOM 2656 CA HIS A 169 -5.454 -8.209 3.236 1.00 7.11 C ATOM 2657 C HIS A 169 -6.511 -9.267 3.574 1.00 8.00 C ATOM 2658 O HIS A 169 -6.634 -10.265 2.868 1.00 8.44 O ATOM 2659 CB HIS A 169 -4.055 -8.750 3.526 1.00 7.58 C ATOM 2660 CG HIS A 169 -3.621 -9.841 2.598 1.00 8.20 C ATOM 2661 ND1 HIS A 169 -3.466 -11.152 2.997 1.00 9.21 N ATOM 2662 CD2 HIS A 169 -3.300 -9.810 1.282 1.00 8.09 C ATOM 2663 CE1 HIS A 169 -3.064 -11.879 1.970 1.00 9.66 C ATOM 2664 NE2 HIS A 169 -2.955 -11.090 0.917 1.00 9.05 N ATOM 0 H HIS A 169 -4.819 -6.613 4.437 1.00 6.40 H new ATOM 0 HA HIS A 169 -5.561 -7.992 2.173 1.00 7.11 H new ATOM 0 HB2 HIS A 169 -3.340 -7.930 3.466 1.00 7.58 H new ATOM 0 HB3 HIS A 169 -4.026 -9.124 4.549 1.00 7.58 H new ATOM 0 HD2 HIS A 169 -3.313 -8.942 0.640 1.00 8.09 H new ATOM 0 HE1 HIS A 169 -2.859 -12.939 1.989 1.00 9.66 H new ATOM 0 HE2 HIS A 169 -2.663 -11.382 -0.015 1.00 9.05 H new ATOM 2834 N VAL A 182 -6.177 -6.093 -2.383 1.00 5.55 N ATOM 2835 CA VAL A 182 -4.920 -6.759 -2.070 1.00 6.08 C ATOM 2836 C VAL A 182 -3.871 -5.771 -1.573 1.00 5.39 C ATOM 2837 O VAL A 182 -3.560 -4.783 -2.246 1.00 4.91 O ATOM 2838 CB VAL A 182 -4.363 -7.532 -3.280 1.00 6.97 C ATOM 2839 CG1 VAL A 182 -4.132 -6.605 -4.465 1.00 6.80 C ATOM 2840 CG2 VAL A 182 -3.081 -8.261 -2.899 1.00 7.45 C ATOM 0 HA VAL A 182 -5.140 -7.471 -1.274 1.00 6.08 H new ATOM 0 HB VAL A 182 -5.103 -8.273 -3.582 1.00 6.97 H new ATOM 0 HG11 VAL A 182 -3.739 -7.179 -5.304 1.00 6.80 H new ATOM 0 HG12 VAL A 182 -5.075 -6.141 -4.753 1.00 6.80 H new ATOM 0 HG13 VAL A 182 -3.416 -5.831 -4.187 1.00 6.80 H new ATOM 0 HG21 VAL A 182 -2.699 -8.803 -3.765 1.00 7.45 H new ATOM 0 HG22 VAL A 182 -2.336 -7.538 -2.566 1.00 7.45 H new ATOM 0 HG23 VAL A 182 -3.288 -8.965 -2.093 1.00 7.45 H new ATOM 2850 N VAL A 183 -3.335 -6.045 -0.385 1.00 5.50 N ATOM 2851 CA VAL A 183 -2.306 -5.204 0.217 1.00 4.93 C ATOM 2852 C VAL A 183 -1.245 -6.073 0.881 1.00 5.68 C ATOM 2853 O VAL A 183 -1.557 -6.884 1.753 1.00 6.34 O ATOM 2854 CB VAL A 183 -2.899 -4.255 1.278 1.00 4.22 C ATOM 2855 CG1 VAL A 183 -1.833 -3.300 1.796 1.00 3.70 C ATOM 2856 CG2 VAL A 183 -4.085 -3.488 0.714 1.00 3.54 C ATOM 0 H VAL A 183 -3.600 -6.850 0.182 1.00 5.50 H new ATOM 0 HA VAL A 183 -1.864 -4.608 -0.581 1.00 4.93 H new ATOM 0 HB VAL A 183 -3.254 -4.856 2.115 1.00 4.22 H new ATOM 0 HG11 VAL A 183 -2.270 -2.638 2.544 1.00 3.70 H new ATOM 0 HG12 VAL A 183 -1.021 -3.871 2.247 1.00 3.70 H new ATOM 0 HG13 VAL A 183 -1.444 -2.706 0.969 1.00 3.70 H new ATOM 0 HG21 VAL A 183 -4.487 -2.825 1.480 1.00 3.54 H new ATOM 0 HG22 VAL A 183 -3.762 -2.898 -0.144 1.00 3.54 H new ATOM 0 HG23 VAL A 183 -4.857 -4.191 0.401 1.00 3.54 H new ATOM 2866 N LYS A 184 0.009 -5.906 0.472 1.00 5.70 N ATOM 2867 CA LYS A 184 1.090 -6.700 1.044 1.00 6.41 C ATOM 2868 C LYS A 184 2.407 -5.936 1.099 1.00 5.98 C ATOM 2869 O LYS A 184 2.711 -5.125 0.226 1.00 5.49 O ATOM 2870 CB LYS A 184 1.275 -7.992 0.247 1.00 7.46 C ATOM 2871 CG LYS A 184 1.670 -7.758 -1.202 1.00 7.98 C ATOM 2872 CD LYS A 184 1.930 -9.069 -1.929 1.00 8.81 C ATOM 2873 CE LYS A 184 2.375 -8.829 -3.363 1.00 8.99 C ATOM 2874 NZ LYS A 184 2.684 -10.102 -4.069 1.00 9.80 N ATOM 0 H LYS A 184 0.299 -5.238 -0.243 1.00 5.70 H new ATOM 0 HA LYS A 184 0.805 -6.935 2.069 1.00 6.41 H new ATOM 0 HB2 LYS A 184 2.039 -8.601 0.730 1.00 7.46 H new ATOM 0 HB3 LYS A 184 0.347 -8.563 0.275 1.00 7.46 H new ATOM 0 HG2 LYS A 184 0.878 -7.209 -1.712 1.00 7.98 H new ATOM 0 HG3 LYS A 184 2.564 -7.136 -1.240 1.00 7.98 H new ATOM 0 HD2 LYS A 184 2.696 -9.635 -1.399 1.00 8.81 H new ATOM 0 HD3 LYS A 184 1.024 -9.675 -1.924 1.00 8.81 H new ATOM 0 HE2 LYS A 184 1.592 -8.296 -3.902 1.00 8.99 H new ATOM 0 HE3 LYS A 184 3.257 -8.188 -3.367 1.00 8.99 H new ATOM 0 HZ1 LYS A 184 2.983 -9.895 -5.043 1.00 9.80 H new ATOM 0 HZ2 LYS A 184 3.449 -10.599 -3.570 1.00 9.80 H new ATOM 0 HZ3 LYS A 184 1.836 -10.703 -4.088 1.00 9.80 H new ATOM 2888 N PHE A 185 3.180 -6.216 2.142 1.00 6.30 N ATOM 2889 CA PHE A 185 4.481 -5.596 2.334 1.00 5.99 C ATOM 2890 C PHE A 185 5.433 -6.020 1.219 1.00 6.35 C ATOM 2891 O PHE A 185 5.881 -7.167 1.185 1.00 7.24 O ATOM 2892 CB PHE A 185 5.047 -6.007 3.696 1.00 6.57 C ATOM 2893 CG PHE A 185 6.224 -5.191 4.148 1.00 6.08 C ATOM 2894 CD1 PHE A 185 7.470 -5.358 3.566 1.00 6.14 C ATOM 2895 CD2 PHE A 185 6.084 -4.264 5.167 1.00 5.74 C ATOM 2896 CE1 PHE A 185 8.554 -4.613 3.989 1.00 5.81 C ATOM 2897 CE2 PHE A 185 7.163 -3.516 5.596 1.00 5.34 C ATOM 2898 CZ PHE A 185 8.400 -3.690 5.006 1.00 5.34 C ATOM 0 H PHE A 185 2.922 -6.877 2.875 1.00 6.30 H new ATOM 0 HA PHE A 185 4.371 -4.512 2.304 1.00 5.99 H new ATOM 0 HB2 PHE A 185 4.257 -5.929 4.443 1.00 6.57 H new ATOM 0 HB3 PHE A 185 5.342 -7.055 3.652 1.00 6.57 H new ATOM 0 HD1 PHE A 185 7.596 -6.079 2.772 1.00 6.14 H new ATOM 0 HD2 PHE A 185 5.119 -4.124 5.632 1.00 5.74 H new ATOM 0 HE1 PHE A 185 9.520 -4.752 3.526 1.00 5.81 H new ATOM 0 HE2 PHE A 185 7.040 -2.796 6.392 1.00 5.34 H new ATOM 0 HZ PHE A 185 9.245 -3.106 5.339 1.00 5.34 H new ATOM 2908 N ALA A 186 5.729 -5.094 0.309 1.00 5.78 N ATOM 2909 CA ALA A 186 6.622 -5.378 -0.812 1.00 6.30 C ATOM 2910 C ALA A 186 7.894 -6.077 -0.344 1.00 6.85 C ATOM 2911 O ALA A 186 8.791 -5.446 0.216 1.00 6.41 O ATOM 2912 CB ALA A 186 6.969 -4.095 -1.550 1.00 5.74 C ATOM 0 H ALA A 186 5.364 -4.142 0.326 1.00 5.78 H new ATOM 0 HA ALA A 186 6.100 -6.049 -1.494 1.00 6.30 H new ATOM 0 HB1 ALA A 186 7.635 -4.323 -2.382 1.00 5.74 H new ATOM 0 HB2 ALA A 186 6.057 -3.636 -1.930 1.00 5.74 H new ATOM 0 HB3 ALA A 186 7.465 -3.405 -0.867 1.00 5.74 H new