USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1153 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 104 HIS : no HE2:sc= -1.71! K(o=-0.62!,f=-4.5) USER MOD Set 1.2: A 116 TYR OH : rot 82:sc= 1.08 USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= -0.454 USER MOD Set 3.1: A 98 ASN : amide:sc= 0.216 K(o=1,f=-3.7!) USER MOD Set 3.2: A 99 THR OG1 : rot 63:sc= 0.787 USER MOD Set 4.1: A 86 THR OG1 : rot -110:sc=-0.00445 USER MOD Set 4.2: A 88 HIS : no HD1:sc= -5.91! C(o=-5.9!,f=-9.5!) USER MOD Set 5.1: A 65 LYS NZ :NH3+ 174:sc= 1.46 (180deg=0.524) USER MOD Set 5.2: A 85 SER OG : rot -54:sc= 0.721 USER MOD Set 6.1: A 43 LYS NZ :NH3+ 172:sc= 2.22 (180deg=0) USER MOD Set 6.2: A 58 MET CE :methyl 140:sc= -1.24 (180deg=0) USER MOD Set 6.3: A 60 ASN : amide:sc= 0.276 K(o=-1,f=-21!) USER MOD Set 6.4: A 67 THR OG1 : rot 20:sc= -1.46! USER MOD Set 6.5: A 118 TYR OH : rot -171:sc= 1.94 USER MOD Set 6.6: A 127 MET CE :methyl -143:sc= -2.74! (180deg=-3.67!) USER MOD Single : A 2 THR OG1 : rot 24:sc= 0.17 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc=-0.00105 (180deg=-0.0555) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0334) USER MOD Single : A 18 ASN : amide:sc= 0.681 K(o=0.68,f=-2.3) USER MOD Single : A 22 TYR OH : rot 39:sc= 0.887 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.16) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -155:sc= -0.331 (180deg=-1.08) USER MOD Single : A 34 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.091) USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= 1.18 (180deg=1.17) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc=-0.00253 (180deg=-0.107) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -47:sc= 0.435 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot -15:sc= 0.0188 USER MOD Single : A 62 THR OG1 : rot 150:sc= 0.558 USER MOD Single : A 63 THR OG1 : rot 169:sc= -0.66 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.461 K(o=-0.46,f=-4.3!) USER MOD Single : A 69 HIS : +bothHN:sc= 1.76 K(o=1.8,f=-10!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0485 F(o=-0.78,f=-0.048) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0582 F(o=-1.7!,f=-0.058) USER MOD Single : A 89 LYS NZ :NH3+ -135:sc= 0.292 (180deg=-1.92!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 167:sc= -0.0134 (180deg=-0.183) USER MOD Single : A 101 THR OG1 : rot 4:sc= 1.06 USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 2.34 (180deg=2.32) USER MOD Single : A 111 THR OG1 : rot -85:sc= 1.2 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 163:sc= -1.09 (180deg=-2.19!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0.044 USER MOD Single : A 136 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot -15:sc= -1.17! USER MOD Single : A 141 LYS NZ :NH3+ -134:sc= 1.26 (180deg=0.278) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN :FLIP amide:sc= -3.8! C(o=-5.1!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 2.688 -18.551 0.655 1.00 0.86 N ATOM 211 CA THR A 2 2.005 -17.888 1.753 1.00 0.81 C ATOM 212 C THR A 2 2.525 -16.462 1.899 1.00 0.66 C ATOM 213 O THR A 2 3.692 -16.192 1.606 1.00 0.64 O ATOM 214 CB THR A 2 2.228 -18.646 3.078 1.00 0.86 C ATOM 215 OG1 THR A 2 1.908 -20.035 2.905 1.00 0.99 O ATOM 216 CG2 THR A 2 1.378 -18.061 4.200 1.00 0.92 C ATOM 0 HA THR A 2 0.938 -17.874 1.531 1.00 0.81 H new ATOM 0 HB THR A 2 3.277 -18.541 3.354 1.00 0.86 H new ATOM 0 HG1 THR A 2 1.998 -20.276 1.959 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.558 -18.617 5.120 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.644 -17.015 4.350 1.00 0.92 H new ATOM 0 HG23 THR A 2 0.324 -18.133 3.933 1.00 0.92 H new ATOM 224 N LEU A 3 1.655 -15.555 2.320 1.00 0.59 N ATOM 225 CA LEU A 3 2.041 -14.173 2.559 1.00 0.50 C ATOM 226 C LEU A 3 2.882 -14.101 3.830 1.00 0.49 C ATOM 227 O LEU A 3 2.369 -14.343 4.926 1.00 0.53 O ATOM 228 CB LEU A 3 0.782 -13.296 2.689 1.00 0.49 C ATOM 229 CG LEU A 3 0.973 -11.778 2.531 1.00 0.35 C ATOM 230 CD1 LEU A 3 1.617 -11.169 3.756 1.00 0.51 C ATOM 231 CD2 LEU A 3 1.808 -11.457 1.311 1.00 0.49 C ATOM 0 H LEU A 3 0.672 -15.754 2.504 1.00 0.59 H new ATOM 0 HA LEU A 3 2.632 -13.802 1.722 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.060 -13.627 1.943 1.00 0.49 H new ATOM 0 HB3 LEU A 3 0.338 -13.482 3.667 1.00 0.49 H new ATOM 0 HG LEU A 3 -0.020 -11.345 2.407 1.00 0.35 H new ATOM 0 HD11 LEU A 3 1.736 -10.096 3.609 1.00 0.51 H new ATOM 0 HD12 LEU A 3 0.985 -11.348 4.626 1.00 0.51 H new ATOM 0 HD13 LEU A 3 2.594 -11.624 3.918 1.00 0.51 H new ATOM 0 HD21 LEU A 3 1.926 -10.377 1.225 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.789 -11.923 1.408 1.00 0.49 H new ATOM 0 HD23 LEU A 3 1.312 -11.840 0.419 1.00 0.49 H new ATOM 243 N PRO A 4 4.187 -13.802 3.695 1.00 0.50 N ATOM 244 CA PRO A 4 5.097 -13.706 4.837 1.00 0.54 C ATOM 245 C PRO A 4 4.587 -12.736 5.894 1.00 0.47 C ATOM 246 O PRO A 4 4.330 -11.562 5.609 1.00 0.42 O ATOM 247 CB PRO A 4 6.403 -13.202 4.217 1.00 0.60 C ATOM 248 CG PRO A 4 6.331 -13.645 2.799 1.00 0.61 C ATOM 249 CD PRO A 4 4.882 -13.540 2.421 1.00 0.52 C ATOM 0 HA PRO A 4 5.207 -14.658 5.356 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.486 -12.118 4.291 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.272 -13.624 4.722 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.950 -13.016 2.159 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.693 -14.667 2.688 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.639 -12.554 2.024 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.611 -14.268 1.656 1.00 0.52 H new ATOM 257 N ASP A 5 4.445 -13.247 7.111 1.00 0.51 N ATOM 258 CA ASP A 5 3.874 -12.504 8.236 1.00 0.51 C ATOM 259 C ASP A 5 4.563 -11.162 8.467 1.00 0.45 C ATOM 260 O ASP A 5 3.984 -10.265 9.080 1.00 0.44 O ATOM 261 CB ASP A 5 3.964 -13.337 9.518 1.00 0.63 C ATOM 262 CG ASP A 5 3.309 -14.699 9.389 1.00 1.50 C ATOM 263 OD1 ASP A 5 2.062 -14.771 9.403 1.00 2.09 O ATOM 264 OD2 ASP A 5 4.040 -15.707 9.298 1.00 2.19 O ATOM 0 H ASP A 5 4.725 -14.198 7.351 1.00 0.51 H new ATOM 0 HA ASP A 5 2.833 -12.305 7.981 1.00 0.51 H new ATOM 0 HB2 ASP A 5 5.012 -13.468 9.786 1.00 0.63 H new ATOM 0 HB3 ASP A 5 3.493 -12.789 10.334 1.00 0.63 H new ATOM 269 N LYS A 6 5.798 -11.029 7.994 1.00 0.45 N ATOM 270 CA LYS A 6 6.540 -9.780 8.125 1.00 0.45 C ATOM 271 C LYS A 6 5.801 -8.610 7.468 1.00 0.38 C ATOM 272 O LYS A 6 5.944 -7.469 7.897 1.00 0.42 O ATOM 273 CB LYS A 6 7.947 -9.919 7.527 1.00 0.56 C ATOM 274 CG LYS A 6 7.968 -10.390 6.078 1.00 1.10 C ATOM 275 CD LYS A 6 9.377 -10.374 5.493 1.00 1.64 C ATOM 276 CE LYS A 6 10.330 -11.286 6.257 1.00 2.01 C ATOM 277 NZ LYS A 6 9.918 -12.714 6.194 1.00 2.53 N ATOM 0 H LYS A 6 6.307 -11.772 7.516 1.00 0.45 H new ATOM 0 HA LYS A 6 6.627 -9.565 9.190 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.453 -8.956 7.591 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.519 -10.621 8.133 1.00 0.56 H new ATOM 0 HG2 LYS A 6 7.562 -11.400 6.019 1.00 1.10 H new ATOM 0 HG3 LYS A 6 7.319 -9.750 5.479 1.00 1.10 H new ATOM 0 HD2 LYS A 6 9.338 -10.685 4.449 1.00 1.64 H new ATOM 0 HD3 LYS A 6 9.763 -9.355 5.508 1.00 1.64 H new ATOM 0 HE2 LYS A 6 11.335 -11.182 5.848 1.00 2.01 H new ATOM 0 HE3 LYS A 6 10.375 -10.969 7.299 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 10.656 -13.307 6.625 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 9.025 -12.841 6.712 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 9.785 -12.993 5.201 1.00 2.53 H new ATOM 291 N PHE A 7 4.989 -8.890 6.451 1.00 0.36 N ATOM 292 CA PHE A 7 4.263 -7.837 5.745 1.00 0.35 C ATOM 293 C PHE A 7 2.963 -7.505 6.462 1.00 0.32 C ATOM 294 O PHE A 7 2.295 -6.530 6.129 1.00 0.35 O ATOM 295 CB PHE A 7 3.929 -8.274 4.315 1.00 0.39 C ATOM 296 CG PHE A 7 5.124 -8.567 3.461 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.065 -7.584 3.209 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.312 -9.826 2.917 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.170 -7.850 2.428 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.415 -10.096 2.134 1.00 0.54 C ATOM 301 CZ PHE A 7 7.329 -9.116 1.871 1.00 0.57 C ATOM 0 H PHE A 7 4.818 -9.832 6.099 1.00 0.36 H new ATOM 0 HA PHE A 7 4.906 -6.957 5.721 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.301 -9.164 4.358 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.340 -7.491 3.837 1.00 0.39 H new ATOM 0 HD1 PHE A 7 5.932 -6.598 3.629 1.00 0.52 H new ATOM 0 HD2 PHE A 7 4.588 -10.604 3.108 1.00 0.48 H new ATOM 0 HE1 PHE A 7 7.907 -7.081 2.250 1.00 0.60 H new ATOM 0 HE2 PHE A 7 6.556 -11.086 1.727 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.174 -9.323 1.232 1.00 0.57 H new ATOM 311 N LEU A 8 2.619 -8.309 7.458 1.00 0.30 N ATOM 312 CA LEU A 8 1.309 -8.239 8.069 1.00 0.29 C ATOM 313 C LEU A 8 1.341 -7.444 9.370 1.00 0.29 C ATOM 314 O LEU A 8 2.322 -7.478 10.113 1.00 0.33 O ATOM 315 CB LEU A 8 0.775 -9.655 8.295 1.00 0.34 C ATOM 316 CG LEU A 8 0.639 -10.481 7.012 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.254 -11.918 7.304 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.378 -9.846 6.084 1.00 0.35 C ATOM 0 H LEU A 8 3.234 -9.018 7.858 1.00 0.30 H new ATOM 0 HA LEU A 8 0.636 -7.711 7.394 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.440 -10.178 8.983 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -0.199 -9.592 8.779 1.00 0.34 H new ATOM 0 HG LEU A 8 1.614 -10.493 6.525 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.168 -12.469 6.368 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.019 -12.380 7.928 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.702 -11.939 7.827 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.465 -10.443 5.176 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.346 -9.800 6.582 1.00 0.35 H new ATOM 0 HD23 LEU A 8 -0.055 -8.838 5.826 1.00 0.35 H new ATOM 330 N GLY A 9 0.261 -6.725 9.625 1.00 0.32 N ATOM 331 CA GLY A 9 0.167 -5.886 10.799 1.00 0.33 C ATOM 332 C GLY A 9 -0.466 -4.546 10.488 1.00 0.31 C ATOM 333 O GLY A 9 -0.867 -4.292 9.353 1.00 0.52 O ATOM 0 H GLY A 9 -0.566 -6.708 9.028 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.420 -6.396 11.563 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.163 -5.729 11.214 1.00 0.33 H new ATOM 337 N THR A 10 -0.570 -3.693 11.491 1.00 0.34 N ATOM 338 CA THR A 10 -1.105 -2.361 11.309 1.00 0.35 C ATOM 339 C THR A 10 0.014 -1.334 11.457 1.00 0.32 C ATOM 340 O THR A 10 0.727 -1.334 12.457 1.00 0.40 O ATOM 341 CB THR A 10 -2.209 -2.079 12.340 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.078 -3.214 12.443 1.00 1.05 O ATOM 343 CG2 THR A 10 -3.020 -0.863 11.938 1.00 0.99 C ATOM 0 H THR A 10 -0.287 -3.905 12.448 1.00 0.34 H new ATOM 0 HA THR A 10 -1.535 -2.289 10.310 1.00 0.35 H new ATOM 0 HB THR A 10 -1.738 -1.886 13.304 1.00 0.38 H new ATOM 0 HG1 THR A 10 -3.779 -3.030 13.103 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.796 -0.681 12.682 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.366 0.007 11.876 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.482 -1.039 10.967 1.00 0.99 H new ATOM 351 N PHE A 11 0.186 -0.483 10.455 1.00 0.27 N ATOM 352 CA PHE A 11 1.295 0.469 10.447 1.00 0.27 C ATOM 353 C PHE A 11 0.803 1.906 10.290 1.00 0.28 C ATOM 354 O PHE A 11 -0.097 2.169 9.490 1.00 0.32 O ATOM 355 CB PHE A 11 2.253 0.137 9.293 1.00 0.31 C ATOM 356 CG PHE A 11 2.715 -1.294 9.265 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.857 -1.683 9.944 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.002 -2.252 8.557 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.279 -2.999 9.922 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.420 -3.567 8.530 1.00 0.43 C ATOM 361 CZ PHE A 11 3.561 -3.942 9.214 1.00 0.44 C ATOM 0 H PHE A 11 -0.424 -0.430 9.639 1.00 0.27 H new ATOM 0 HA PHE A 11 1.811 0.386 11.404 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.759 0.366 8.349 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.125 0.787 9.362 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.425 -0.950 10.497 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.110 -1.965 8.021 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.170 -3.290 10.459 1.00 0.47 H new ATOM 0 HE2 PHE A 11 1.856 -4.302 7.975 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.890 -4.970 9.195 1.00 0.44 H new ATOM 371 N LYS A 12 1.381 2.837 11.055 1.00 0.29 N ATOM 372 CA LYS A 12 1.121 4.255 10.828 1.00 0.33 C ATOM 373 C LYS A 12 2.314 4.912 10.120 1.00 0.27 C ATOM 374 O LYS A 12 3.468 4.713 10.504 1.00 0.69 O ATOM 375 CB LYS A 12 0.810 4.974 12.143 1.00 0.48 C ATOM 376 CG LYS A 12 1.947 4.973 13.147 1.00 0.78 C ATOM 377 CD LYS A 12 1.541 5.636 14.455 1.00 1.28 C ATOM 378 CE LYS A 12 1.053 7.067 14.249 1.00 1.72 C ATOM 379 NZ LYS A 12 2.097 7.944 13.652 1.00 2.19 N ATOM 0 H LYS A 12 2.021 2.636 11.823 1.00 0.29 H new ATOM 0 HA LYS A 12 0.246 4.341 10.184 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.539 6.006 11.922 1.00 0.48 H new ATOM 0 HB3 LYS A 12 -0.062 4.506 12.600 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.261 3.947 13.341 1.00 0.78 H new ATOM 0 HG3 LYS A 12 2.806 5.495 12.725 1.00 0.78 H new ATOM 0 HD2 LYS A 12 0.753 5.050 14.928 1.00 1.28 H new ATOM 0 HD3 LYS A 12 2.390 5.638 15.138 1.00 1.28 H new ATOM 0 HE2 LYS A 12 0.176 7.059 13.602 1.00 1.72 H new ATOM 0 HE3 LYS A 12 0.739 7.482 15.207 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 1.740 8.919 13.595 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 2.950 7.922 14.246 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 2.331 7.605 12.697 1.00 2.19 H new ATOM 393 N LEU A 13 2.018 5.671 9.068 1.00 0.60 N ATOM 394 CA LEU A 13 3.036 6.365 8.272 1.00 0.50 C ATOM 395 C LEU A 13 3.995 7.151 9.170 1.00 0.46 C ATOM 396 O LEU A 13 3.567 7.987 9.971 1.00 0.52 O ATOM 397 CB LEU A 13 2.334 7.306 7.283 1.00 0.52 C ATOM 398 CG LEU A 13 3.146 7.752 6.059 1.00 0.55 C ATOM 399 CD1 LEU A 13 2.224 8.396 5.043 1.00 1.14 C ATOM 400 CD2 LEU A 13 4.243 8.729 6.445 1.00 1.04 C ATOM 0 H LEU A 13 1.065 5.825 8.740 1.00 0.60 H new ATOM 0 HA LEU A 13 3.627 5.630 7.726 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.428 6.813 6.929 1.00 0.52 H new ATOM 0 HB3 LEU A 13 2.020 8.197 7.826 1.00 0.52 H new ATOM 0 HG LEU A 13 3.617 6.869 5.626 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.803 8.712 4.175 1.00 1.14 H new ATOM 0 HD12 LEU A 13 1.466 7.677 4.732 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.739 9.263 5.490 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.798 9.024 5.554 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.799 9.612 6.904 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.921 8.253 7.154 1.00 1.04 H new ATOM 412 N GLU A 14 5.290 6.865 9.048 1.00 0.45 N ATOM 413 CA GLU A 14 6.305 7.546 9.835 1.00 0.48 C ATOM 414 C GLU A 14 6.804 8.791 9.107 1.00 0.45 C ATOM 415 O GLU A 14 6.764 9.897 9.652 1.00 0.49 O ATOM 416 CB GLU A 14 7.476 6.593 10.102 1.00 0.55 C ATOM 417 CG GLU A 14 8.474 7.116 11.123 1.00 0.67 C ATOM 418 CD GLU A 14 7.896 7.172 12.520 1.00 1.17 C ATOM 419 OE1 GLU A 14 8.264 6.322 13.355 1.00 2.08 O ATOM 420 OE2 GLU A 14 7.069 8.064 12.795 1.00 1.56 O ATOM 0 H GLU A 14 5.658 6.162 8.407 1.00 0.45 H new ATOM 0 HA GLU A 14 5.864 7.854 10.783 1.00 0.48 H new ATOM 0 HB2 GLU A 14 7.083 5.638 10.449 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.997 6.401 9.164 1.00 0.55 H new ATOM 0 HG2 GLU A 14 9.357 6.477 11.124 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.802 8.113 10.828 1.00 0.67 H new ATOM 427 N ARG A 15 7.267 8.608 7.875 1.00 0.42 N ATOM 428 CA ARG A 15 7.808 9.710 7.086 1.00 0.44 C ATOM 429 C ARG A 15 7.796 9.348 5.601 1.00 0.37 C ATOM 430 O ARG A 15 7.422 8.233 5.232 1.00 0.38 O ATOM 431 CB ARG A 15 9.236 10.031 7.539 1.00 0.51 C ATOM 432 CG ARG A 15 10.268 9.021 7.069 1.00 0.53 C ATOM 433 CD ARG A 15 11.629 9.284 7.689 1.00 0.77 C ATOM 434 NE ARG A 15 12.701 8.584 6.980 1.00 1.68 N ATOM 435 CZ ARG A 15 13.469 7.633 7.519 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.263 7.222 8.765 1.00 2.45 N ATOM 437 NH2 ARG A 15 14.444 7.090 6.802 1.00 3.36 N ATOM 0 H ARG A 15 7.279 7.705 7.400 1.00 0.42 H new ATOM 0 HA ARG A 15 7.185 10.591 7.238 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.512 11.018 7.168 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.260 10.081 8.628 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.938 8.015 7.328 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.348 9.061 5.983 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.829 10.355 7.682 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.619 8.969 8.732 1.00 0.77 H new ATOM 0 HE ARG A 15 12.874 8.840 6.008 1.00 1.68 H new ATOM 0 HH11 ARG A 15 12.513 7.633 9.320 1.00 2.45 H new ATOM 0 HH12 ARG A 15 13.855 6.495 9.167 1.00 2.45 H new ATOM 0 HH21 ARG A 15 14.605 7.399 5.843 1.00 3.36 H new ATOM 0 HH22 ARG A 15 15.033 6.364 7.209 1.00 3.36 H new ATOM 451 N ASP A 16 8.215 10.280 4.756 1.00 0.38 N ATOM 452 CA ASP A 16 8.216 10.055 3.316 1.00 0.43 C ATOM 453 C ASP A 16 9.515 10.548 2.695 1.00 0.39 C ATOM 454 O ASP A 16 10.332 11.180 3.364 1.00 0.52 O ATOM 455 CB ASP A 16 7.029 10.763 2.657 1.00 0.66 C ATOM 456 CG ASP A 16 7.243 12.259 2.496 1.00 0.68 C ATOM 457 OD1 ASP A 16 7.091 12.998 3.489 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.557 12.704 1.372 1.00 0.72 O ATOM 0 H ASP A 16 8.558 11.197 5.041 1.00 0.38 H new ATOM 0 HA ASP A 16 8.127 8.982 3.145 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.847 10.320 1.678 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.134 10.592 3.255 1.00 0.66 H new ATOM 463 N GLU A 17 9.696 10.256 1.416 1.00 0.36 N ATOM 464 CA GLU A 17 10.897 10.652 0.699 1.00 0.38 C ATOM 465 C GLU A 17 10.617 10.751 -0.796 1.00 0.40 C ATOM 466 O GLU A 17 10.376 9.734 -1.441 1.00 0.83 O ATOM 467 CB GLU A 17 12.015 9.637 0.950 1.00 0.48 C ATOM 468 CG GLU A 17 13.340 10.008 0.307 1.00 1.18 C ATOM 469 CD GLU A 17 14.363 8.899 0.413 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.557 8.166 -0.580 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.979 8.753 1.487 1.00 2.13 O ATOM 0 H GLU A 17 9.020 9.742 0.850 1.00 0.36 H new ATOM 0 HA GLU A 17 11.211 11.630 1.063 1.00 0.38 H new ATOM 0 HB2 GLU A 17 12.161 9.531 2.025 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.700 8.664 0.574 1.00 0.48 H new ATOM 0 HG2 GLU A 17 13.176 10.248 -0.743 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.732 10.907 0.782 1.00 1.18 H new ATOM 478 N ASN A 18 10.620 11.978 -1.324 1.00 0.34 N ATOM 479 CA ASN A 18 10.453 12.227 -2.767 1.00 0.30 C ATOM 480 C ASN A 18 9.008 11.961 -3.205 1.00 0.28 C ATOM 481 O ASN A 18 8.710 11.781 -4.392 1.00 0.27 O ATOM 482 CB ASN A 18 11.433 11.357 -3.570 1.00 0.32 C ATOM 483 CG ASN A 18 11.588 11.803 -5.008 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.505 12.989 -5.314 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.820 10.854 -5.899 1.00 0.66 N ATOM 0 H ASN A 18 10.737 12.826 -0.770 1.00 0.34 H new ATOM 0 HA ASN A 18 10.674 13.276 -2.964 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.408 11.377 -3.083 1.00 0.32 H new ATOM 0 HB3 ASN A 18 11.089 10.323 -3.552 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.937 11.096 -6.883 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.882 9.880 -5.602 1.00 0.66 H new ATOM 492 N PHE A 19 8.107 11.976 -2.234 1.00 0.30 N ATOM 493 CA PHE A 19 6.714 11.636 -2.483 1.00 0.31 C ATOM 494 C PHE A 19 6.004 12.757 -3.235 1.00 0.31 C ATOM 495 O PHE A 19 5.187 12.498 -4.118 1.00 0.32 O ATOM 496 CB PHE A 19 5.985 11.325 -1.173 1.00 0.37 C ATOM 497 CG PHE A 19 4.593 10.796 -1.377 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.391 9.526 -1.894 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.488 11.565 -1.053 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.116 9.036 -2.089 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.209 11.080 -1.243 1.00 0.48 C ATOM 502 CZ PHE A 19 2.022 9.811 -1.763 1.00 0.44 C ATOM 0 H PHE A 19 8.316 12.220 -1.266 1.00 0.30 H new ATOM 0 HA PHE A 19 6.696 10.742 -3.106 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.564 10.595 -0.608 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.937 12.231 -0.568 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.243 8.912 -2.147 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.628 12.556 -0.647 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.974 8.046 -2.497 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.356 11.690 -0.986 1.00 0.48 H new ATOM 0 HZ PHE A 19 1.023 9.429 -1.913 1.00 0.44 H new ATOM 512 N ASP A 20 6.315 14.000 -2.881 1.00 0.33 N ATOM 513 CA ASP A 20 5.733 15.158 -3.555 1.00 0.37 C ATOM 514 C ASP A 20 6.040 15.132 -5.051 1.00 0.33 C ATOM 515 O ASP A 20 5.135 15.248 -5.879 1.00 0.33 O ATOM 516 CB ASP A 20 6.257 16.451 -2.931 1.00 0.46 C ATOM 517 CG ASP A 20 5.629 17.688 -3.540 1.00 1.08 C ATOM 518 OD1 ASP A 20 6.260 18.306 -4.426 1.00 1.22 O ATOM 519 OD2 ASP A 20 4.501 18.038 -3.154 1.00 2.04 O ATOM 0 H ASP A 20 6.967 14.232 -2.131 1.00 0.33 H new ATOM 0 HA ASP A 20 4.651 15.116 -3.429 1.00 0.37 H new ATOM 0 HB2 ASP A 20 6.060 16.438 -1.859 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.339 16.498 -3.056 1.00 0.46 H new ATOM 524 N GLU A 21 7.320 14.968 -5.386 1.00 0.34 N ATOM 525 CA GLU A 21 7.748 14.862 -6.780 1.00 0.35 C ATOM 526 C GLU A 21 6.972 13.774 -7.507 1.00 0.31 C ATOM 527 O GLU A 21 6.548 13.954 -8.654 1.00 0.34 O ATOM 528 CB GLU A 21 9.238 14.559 -6.867 1.00 0.41 C ATOM 529 CG GLU A 21 10.109 15.655 -6.300 1.00 0.51 C ATOM 530 CD GLU A 21 9.906 16.984 -6.997 1.00 1.14 C ATOM 531 OE1 GLU A 21 10.494 17.195 -8.078 1.00 1.65 O ATOM 532 OE2 GLU A 21 9.151 17.826 -6.468 1.00 1.79 O ATOM 0 H GLU A 21 8.080 14.906 -4.709 1.00 0.34 H new ATOM 0 HA GLU A 21 7.548 15.821 -7.257 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.444 13.630 -6.335 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.507 14.395 -7.910 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.895 15.770 -5.238 1.00 0.51 H new ATOM 0 HG3 GLU A 21 11.155 15.362 -6.384 1.00 0.51 H new ATOM 539 N TYR A 22 6.795 12.642 -6.835 1.00 0.29 N ATOM 540 CA TYR A 22 6.035 11.531 -7.386 1.00 0.28 C ATOM 541 C TYR A 22 4.602 11.952 -7.703 1.00 0.30 C ATOM 542 O TYR A 22 4.045 11.567 -8.734 1.00 0.33 O ATOM 543 CB TYR A 22 6.033 10.360 -6.404 1.00 0.30 C ATOM 544 CG TYR A 22 5.197 9.187 -6.856 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.923 8.981 -6.346 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.680 8.290 -7.796 1.00 0.38 C ATOM 547 CE1 TYR A 22 3.156 7.911 -6.761 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.919 7.220 -8.214 1.00 0.44 C ATOM 549 CZ TYR A 22 3.659 7.032 -7.694 1.00 0.50 C ATOM 550 OH TYR A 22 2.899 5.965 -8.111 1.00 0.57 O ATOM 0 H TYR A 22 7.171 12.471 -5.902 1.00 0.29 H new ATOM 0 HA TYR A 22 6.512 11.219 -8.315 1.00 0.28 H new ATOM 0 HB2 TYR A 22 7.059 10.025 -6.250 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.663 10.708 -5.439 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.526 9.668 -5.614 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.668 8.432 -8.207 1.00 0.38 H new ATOM 0 HE1 TYR A 22 2.166 7.764 -6.356 1.00 0.48 H new ATOM 0 HE2 TYR A 22 5.310 6.531 -8.948 1.00 0.44 H new ATOM 0 HH TYR A 22 1.963 6.243 -8.196 1.00 0.57 H new ATOM 560 N LEU A 23 4.012 12.753 -6.824 1.00 0.28 N ATOM 561 CA LEU A 23 2.638 13.199 -7.000 1.00 0.30 C ATOM 562 C LEU A 23 2.511 14.048 -8.258 1.00 0.34 C ATOM 563 O LEU A 23 1.552 13.912 -9.016 1.00 0.37 O ATOM 564 CB LEU A 23 2.172 13.996 -5.783 1.00 0.30 C ATOM 565 CG LEU A 23 2.040 13.190 -4.493 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.561 14.083 -3.361 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.083 12.027 -4.690 1.00 0.32 C ATOM 0 H LEU A 23 4.465 13.107 -5.982 1.00 0.28 H new ATOM 0 HA LEU A 23 2.005 12.318 -7.104 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.873 14.813 -5.613 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.207 14.447 -6.012 1.00 0.30 H new ATOM 0 HG LEU A 23 3.020 12.791 -4.231 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.471 13.496 -2.447 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.278 14.889 -3.205 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.590 14.506 -3.617 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.000 11.463 -3.761 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.101 12.407 -4.972 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.460 11.375 -5.478 1.00 0.32 H new ATOM 579 N LYS A 24 3.504 14.900 -8.489 1.00 0.34 N ATOM 580 CA LYS A 24 3.524 15.752 -9.671 1.00 0.39 C ATOM 581 C LYS A 24 3.538 14.896 -10.930 1.00 0.40 C ATOM 582 O LYS A 24 2.767 15.124 -11.862 1.00 0.44 O ATOM 583 CB LYS A 24 4.757 16.651 -9.657 1.00 0.41 C ATOM 584 CG LYS A 24 4.818 17.596 -8.474 1.00 0.45 C ATOM 585 CD LYS A 24 6.142 18.329 -8.437 1.00 0.55 C ATOM 586 CE LYS A 24 6.210 19.311 -7.284 1.00 1.35 C ATOM 587 NZ LYS A 24 7.570 19.885 -7.138 1.00 1.88 N ATOM 0 H LYS A 24 4.307 15.019 -7.871 1.00 0.34 H new ATOM 0 HA LYS A 24 2.629 16.374 -9.664 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.650 16.026 -9.656 1.00 0.41 H new ATOM 0 HB3 LYS A 24 4.778 17.235 -10.577 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.001 18.315 -8.535 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.681 17.036 -7.549 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.954 17.608 -8.348 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.289 18.861 -9.377 1.00 0.55 H new ATOM 0 HE2 LYS A 24 5.491 20.114 -7.446 1.00 1.35 H new ATOM 0 HE3 LYS A 24 5.925 18.809 -6.360 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 7.599 20.500 -6.300 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 8.261 19.116 -7.027 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 7.804 20.442 -7.984 1.00 1.88 H new ATOM 601 N ALA A 25 4.423 13.908 -10.928 1.00 0.40 N ATOM 602 CA ALA A 25 4.551 12.976 -12.041 1.00 0.43 C ATOM 603 C ALA A 25 3.232 12.258 -12.302 1.00 0.43 C ATOM 604 O ALA A 25 2.870 11.997 -13.447 1.00 0.44 O ATOM 605 CB ALA A 25 5.656 11.970 -11.759 1.00 0.43 C ATOM 0 H ALA A 25 5.069 13.730 -10.159 1.00 0.40 H new ATOM 0 HA ALA A 25 4.811 13.543 -12.935 1.00 0.43 H new ATOM 0 HB1 ALA A 25 5.742 11.279 -12.598 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.601 12.496 -11.624 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.418 11.413 -10.853 1.00 0.43 H new ATOM 611 N ARG A 26 2.508 11.961 -11.229 1.00 0.43 N ATOM 612 CA ARG A 26 1.226 11.268 -11.326 1.00 0.45 C ATOM 613 C ARG A 26 0.124 12.184 -11.854 1.00 0.47 C ATOM 614 O ARG A 26 -0.987 11.732 -12.130 1.00 0.51 O ATOM 615 CB ARG A 26 0.828 10.697 -9.965 1.00 0.48 C ATOM 616 CG ARG A 26 1.619 9.461 -9.580 1.00 0.85 C ATOM 617 CD ARG A 26 1.168 8.245 -10.376 1.00 0.72 C ATOM 618 NE ARG A 26 -0.077 7.682 -9.856 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.151 7.385 -10.592 1.00 0.78 C ATOM 620 NH1 ARG A 26 -1.185 7.671 -11.888 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.200 6.797 -10.024 1.00 1.06 N ATOM 0 H ARG A 26 2.788 12.190 -10.275 1.00 0.43 H new ATOM 0 HA ARG A 26 1.347 10.452 -12.038 1.00 0.45 H new ATOM 0 HB2 ARG A 26 0.969 11.463 -9.202 1.00 0.48 H new ATOM 0 HB3 ARG A 26 -0.234 10.451 -9.978 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.681 9.638 -9.753 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.497 9.266 -8.514 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.031 8.526 -11.420 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.949 7.485 -10.350 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.129 7.502 -8.853 1.00 0.76 H new ATOM 0 HH11 ARG A 26 -0.385 8.122 -12.332 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -2.011 7.439 -12.440 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.183 6.574 -9.029 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -3.022 6.569 -10.584 1.00 1.06 H new ATOM 635 N GLY A 27 0.427 13.467 -11.984 1.00 0.46 N ATOM 636 CA GLY A 27 -0.523 14.398 -12.551 1.00 0.49 C ATOM 637 C GLY A 27 -1.050 15.377 -11.525 1.00 0.50 C ATOM 638 O GLY A 27 -1.771 16.316 -11.862 1.00 0.62 O ATOM 0 H GLY A 27 1.317 13.880 -11.706 1.00 0.46 H new ATOM 0 HA2 GLY A 27 -0.049 14.947 -13.364 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -1.357 13.845 -12.984 1.00 0.49 H new ATOM 642 N TYR A 28 -0.689 15.163 -10.269 1.00 0.48 N ATOM 643 CA TYR A 28 -1.129 16.030 -9.188 1.00 0.53 C ATOM 644 C TYR A 28 -0.287 17.301 -9.168 1.00 0.56 C ATOM 645 O TYR A 28 0.830 17.314 -8.652 1.00 0.54 O ATOM 646 CB TYR A 28 -1.021 15.289 -7.852 1.00 0.51 C ATOM 647 CG TYR A 28 -1.696 13.928 -7.855 1.00 0.53 C ATOM 648 CD1 TYR A 28 -0.963 12.771 -7.631 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.060 13.801 -8.088 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.567 11.529 -7.638 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.672 12.562 -8.093 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.920 11.430 -7.868 1.00 0.60 C ATOM 653 OH TYR A 28 -3.522 10.194 -7.875 1.00 0.64 O ATOM 0 H TYR A 28 -0.090 14.393 -9.973 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.171 16.308 -9.348 1.00 0.53 H new ATOM 0 HB2 TYR A 28 0.032 15.162 -7.600 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.464 15.903 -7.068 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.099 12.843 -7.448 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.652 14.686 -8.268 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -0.980 10.639 -7.464 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.734 12.482 -8.272 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.480 10.298 -8.051 1.00 0.64 H new ATOM 663 N GLY A 29 -0.840 18.367 -9.736 1.00 0.68 N ATOM 664 CA GLY A 29 -0.096 19.599 -9.916 1.00 0.80 C ATOM 665 C GLY A 29 0.229 20.301 -8.614 1.00 0.88 C ATOM 666 O GLY A 29 1.392 20.579 -8.329 1.00 1.54 O ATOM 0 H GLY A 29 -1.800 18.399 -10.078 1.00 0.68 H new ATOM 0 HA2 GLY A 29 0.832 19.380 -10.444 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -0.672 20.273 -10.550 1.00 0.80 H new ATOM 670 N TRP A 30 -0.789 20.587 -7.814 1.00 0.54 N ATOM 671 CA TRP A 30 -0.592 21.306 -6.562 1.00 0.56 C ATOM 672 C TRP A 30 -1.703 20.992 -5.566 1.00 0.54 C ATOM 673 O TRP A 30 -1.429 20.570 -4.443 1.00 0.52 O ATOM 674 CB TRP A 30 -0.522 22.815 -6.827 1.00 0.65 C ATOM 675 CG TRP A 30 -0.410 23.651 -5.586 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.720 23.919 -4.867 1.00 0.84 C ATOM 677 CD2 TRP A 30 -1.477 24.338 -4.926 1.00 0.86 C ATOM 678 NE1 TRP A 30 0.416 24.729 -3.799 1.00 0.98 N ATOM 679 CE2 TRP A 30 -0.926 24.996 -3.813 1.00 0.99 C ATOM 680 CE3 TRP A 30 -2.845 24.455 -5.170 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -1.701 25.765 -2.947 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -3.612 25.215 -4.311 1.00 1.07 C ATOM 683 CH2 TRP A 30 -3.040 25.861 -3.213 1.00 1.18 C ATOM 0 H TRP A 30 -1.758 20.333 -8.009 1.00 0.54 H new ATOM 0 HA TRP A 30 0.351 20.978 -6.125 1.00 0.56 H new ATOM 0 HB2 TRP A 30 0.334 23.021 -7.469 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.413 23.118 -7.377 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.707 23.549 -5.103 1.00 0.84 H new ATOM 0 HE1 TRP A 30 1.082 25.075 -3.108 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.296 23.959 -6.017 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -1.261 26.267 -2.098 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -4.673 25.312 -4.491 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -3.668 26.449 -2.560 1.00 1.18 H new ATOM 694 N ILE A 31 -2.952 21.192 -5.985 1.00 0.60 N ATOM 695 CA ILE A 31 -4.109 20.975 -5.115 1.00 0.63 C ATOM 696 C ILE A 31 -4.096 19.587 -4.493 1.00 0.53 C ATOM 697 O ILE A 31 -4.158 19.445 -3.274 1.00 0.51 O ATOM 698 CB ILE A 31 -5.440 21.201 -5.881 1.00 0.76 C ATOM 699 CG1 ILE A 31 -5.877 22.656 -5.759 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.543 20.281 -5.365 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.231 23.039 -4.345 1.00 2.16 C ATOM 0 H ILE A 31 -3.190 21.505 -6.926 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.040 21.708 -4.311 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.265 20.964 -6.930 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.076 23.303 -6.117 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -6.738 22.828 -6.404 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.461 20.465 -5.923 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.241 19.242 -5.496 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.716 20.478 -4.307 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.535 24.085 -4.317 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -7.051 22.413 -3.993 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.363 22.896 -3.701 1.00 2.16 H new ATOM 713 N MET A 32 -4.018 18.569 -5.330 1.00 0.48 N ATOM 714 CA MET A 32 -3.994 17.202 -4.849 1.00 0.43 C ATOM 715 C MET A 32 -2.800 16.961 -3.941 1.00 0.38 C ATOM 716 O MET A 32 -2.914 16.252 -2.952 1.00 0.39 O ATOM 717 CB MET A 32 -3.991 16.213 -6.010 1.00 0.48 C ATOM 718 CG MET A 32 -5.311 16.157 -6.760 1.00 0.55 C ATOM 719 SD MET A 32 -6.730 16.034 -5.657 1.00 0.97 S ATOM 720 CE MET A 32 -6.227 14.664 -4.623 1.00 0.48 C ATOM 0 H MET A 32 -3.970 18.664 -6.344 1.00 0.48 H new ATOM 0 HA MET A 32 -4.901 17.042 -4.266 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.198 16.484 -6.706 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.755 15.219 -5.630 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.412 17.050 -7.378 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.305 15.301 -7.435 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.110 14.177 -4.209 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.663 13.946 -5.219 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.601 15.032 -3.810 1.00 0.48 H new ATOM 730 N ARG A 33 -1.665 17.576 -4.254 1.00 0.39 N ATOM 731 CA ARG A 33 -0.483 17.439 -3.414 1.00 0.41 C ATOM 732 C ARG A 33 -0.737 18.021 -2.030 1.00 0.45 C ATOM 733 O ARG A 33 -0.187 17.545 -1.040 1.00 0.60 O ATOM 734 CB ARG A 33 0.738 18.108 -4.049 1.00 0.49 C ATOM 735 CG ARG A 33 1.271 17.373 -5.265 1.00 0.90 C ATOM 736 CD ARG A 33 2.616 17.925 -5.710 1.00 0.71 C ATOM 737 NE ARG A 33 2.517 19.301 -6.195 1.00 0.77 N ATOM 738 CZ ARG A 33 3.055 20.361 -5.589 1.00 0.99 C ATOM 739 NH1 ARG A 33 3.768 20.219 -4.480 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.894 21.566 -6.115 1.00 1.03 N ATOM 0 H ARG A 33 -1.539 18.168 -5.075 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.273 16.374 -3.317 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.475 19.126 -4.337 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.530 18.182 -3.304 1.00 0.49 H new ATOM 0 HG2 ARG A 33 1.371 16.312 -5.034 1.00 0.90 H new ATOM 0 HG3 ARG A 33 0.555 17.455 -6.083 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.317 17.885 -4.876 1.00 0.71 H new ATOM 0 HD3 ARG A 33 3.023 17.292 -6.499 1.00 0.71 H new ATOM 0 HE ARG A 33 1.999 19.462 -7.059 1.00 0.77 H new ATOM 0 HH11 ARG A 33 3.910 19.291 -4.081 1.00 1.87 H new ATOM 0 HH12 ARG A 33 4.174 21.037 -4.026 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.362 21.679 -6.978 1.00 1.03 H new ATOM 0 HH22 ARG A 33 3.302 22.381 -5.657 1.00 1.03 H new ATOM 754 N GLN A 34 -1.587 19.041 -1.964 1.00 0.41 N ATOM 755 CA GLN A 34 -1.939 19.657 -0.693 1.00 0.46 C ATOM 756 C GLN A 34 -2.767 18.697 0.150 1.00 0.47 C ATOM 757 O GLN A 34 -2.720 18.727 1.375 1.00 0.58 O ATOM 758 CB GLN A 34 -2.719 20.958 -0.911 1.00 0.51 C ATOM 759 CG GLN A 34 -1.952 22.021 -1.683 1.00 0.80 C ATOM 760 CD GLN A 34 -0.601 22.332 -1.072 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.482 23.191 -0.195 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.430 21.651 -1.543 1.00 1.97 N ATOM 0 H GLN A 34 -2.043 19.457 -2.776 1.00 0.41 H new ATOM 0 HA GLN A 34 -1.014 19.891 -0.166 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.641 20.731 -1.446 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -3.005 21.364 0.059 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.812 21.687 -2.711 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.546 22.934 -1.723 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.288 20.949 -2.269 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.367 21.828 -1.180 1.00 1.97 H new ATOM 771 N VAL A 35 -3.537 17.850 -0.515 1.00 0.42 N ATOM 772 CA VAL A 35 -4.373 16.872 0.164 1.00 0.42 C ATOM 773 C VAL A 35 -3.604 15.580 0.455 1.00 0.40 C ATOM 774 O VAL A 35 -3.375 15.228 1.613 1.00 0.44 O ATOM 775 CB VAL A 35 -5.612 16.550 -0.704 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.495 15.507 -0.045 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.407 17.813 -0.995 1.00 0.65 C ATOM 0 H VAL A 35 -3.600 17.821 -1.533 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.686 17.303 1.115 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.255 16.138 -1.648 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.356 15.305 -0.682 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.927 14.588 0.100 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.837 15.878 0.921 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.274 17.564 -1.607 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.740 18.257 -0.057 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.777 18.524 -1.530 1.00 0.65 H new ATOM 787 N ILE A 36 -3.220 14.892 -0.620 1.00 0.38 N ATOM 788 CA ILE A 36 -2.519 13.602 -0.570 1.00 0.39 C ATOM 789 C ILE A 36 -1.380 13.552 0.462 1.00 0.46 C ATOM 790 O ILE A 36 -1.255 12.571 1.198 1.00 0.51 O ATOM 791 CB ILE A 36 -1.960 13.278 -1.960 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.088 13.337 -2.992 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.346 11.901 -1.945 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.629 13.175 -4.419 1.00 0.51 C ATOM 0 H ILE A 36 -3.389 15.220 -1.571 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.253 12.861 -0.255 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.196 14.008 -2.227 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.814 12.557 -2.765 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.605 14.292 -2.895 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.948 11.669 -2.933 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.539 11.870 -1.213 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.106 11.167 -1.679 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.489 13.229 -5.086 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -1.926 13.970 -4.668 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.139 12.208 -4.536 1.00 0.51 H new ATOM 806 N LYS A 37 -0.559 14.598 0.529 1.00 0.52 N ATOM 807 CA LYS A 37 0.593 14.592 1.435 1.00 0.67 C ATOM 808 C LYS A 37 0.177 14.788 2.887 1.00 0.66 C ATOM 809 O LYS A 37 0.849 14.313 3.802 1.00 0.79 O ATOM 810 CB LYS A 37 1.600 15.679 1.063 1.00 0.91 C ATOM 811 CG LYS A 37 2.267 15.475 -0.283 1.00 0.75 C ATOM 812 CD LYS A 37 3.397 16.471 -0.503 1.00 0.94 C ATOM 813 CE LYS A 37 2.922 17.908 -0.341 1.00 0.70 C ATOM 814 NZ LYS A 37 3.994 18.883 -0.665 1.00 0.97 N ATOM 0 H LYS A 37 -0.665 15.449 -0.023 1.00 0.52 H new ATOM 0 HA LYS A 37 1.057 13.612 1.329 1.00 0.67 H new ATOM 0 HB2 LYS A 37 1.092 16.644 1.062 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.369 15.725 1.834 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.658 14.460 -0.346 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.527 15.581 -1.077 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.201 16.272 0.206 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.812 16.336 -1.502 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.064 18.082 -0.990 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.584 18.066 0.683 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 3.728 19.823 -0.307 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.884 18.582 -0.219 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.122 18.929 -1.696 1.00 0.97 H new ATOM 828 N LEU A 38 -0.930 15.480 3.096 1.00 0.63 N ATOM 829 CA LEU A 38 -1.366 15.827 4.444 1.00 0.70 C ATOM 830 C LEU A 38 -2.266 14.740 5.010 1.00 0.65 C ATOM 831 O LEU A 38 -2.563 14.720 6.205 1.00 0.91 O ATOM 832 CB LEU A 38 -2.095 17.178 4.455 1.00 0.82 C ATOM 833 CG LEU A 38 -1.199 18.426 4.463 1.00 1.08 C ATOM 834 CD1 LEU A 38 -0.359 18.475 5.730 1.00 2.08 C ATOM 835 CD2 LEU A 38 -0.307 18.476 3.231 1.00 1.61 C ATOM 0 H LEU A 38 -1.544 15.814 2.353 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.480 15.911 5.073 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -2.743 17.226 3.580 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.741 17.213 5.332 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.849 19.301 4.442 1.00 1.08 H new ATOM 0 HD11 LEU A 38 0.268 19.366 5.716 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -1.015 18.506 6.600 1.00 2.08 H new ATOM 0 HD13 LEU A 38 0.272 17.588 5.783 1.00 2.08 H new ATOM 0 HD21 LEU A 38 0.314 19.371 3.268 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.331 17.592 3.207 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.926 18.500 2.334 1.00 1.61 H new ATOM 847 N ALA A 39 -2.689 13.836 4.140 1.00 0.52 N ATOM 848 CA ALA A 39 -3.533 12.732 4.537 1.00 0.53 C ATOM 849 C ALA A 39 -2.712 11.646 5.215 1.00 0.60 C ATOM 850 O ALA A 39 -1.860 11.017 4.583 1.00 1.03 O ATOM 851 CB ALA A 39 -4.260 12.167 3.326 1.00 0.55 C ATOM 0 H ALA A 39 -2.456 13.851 3.147 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.271 13.099 5.251 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.893 11.336 3.637 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.877 12.945 2.877 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.531 11.815 2.596 1.00 0.55 H new ATOM 857 N GLY A 40 -2.960 11.445 6.501 1.00 0.43 N ATOM 858 CA GLY A 40 -2.300 10.377 7.223 1.00 0.46 C ATOM 859 C GLY A 40 -2.773 9.027 6.737 1.00 0.46 C ATOM 860 O GLY A 40 -3.958 8.852 6.453 1.00 0.84 O ATOM 0 H GLY A 40 -3.607 12.003 7.058 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.221 10.457 7.093 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.501 10.475 8.290 1.00 0.46 H new ATOM 864 N VAL A 41 -1.865 8.071 6.638 1.00 0.44 N ATOM 865 CA VAL A 41 -2.193 6.778 6.063 1.00 0.45 C ATOM 866 C VAL A 41 -1.871 5.646 7.032 1.00 0.36 C ATOM 867 O VAL A 41 -0.739 5.508 7.496 1.00 0.41 O ATOM 868 CB VAL A 41 -1.441 6.541 4.736 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.880 5.233 4.092 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.648 7.706 3.781 1.00 1.30 C ATOM 0 H VAL A 41 -0.898 8.165 6.947 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.265 6.785 5.864 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.376 6.470 4.959 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.337 5.087 3.158 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.668 4.405 4.769 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.950 5.269 3.888 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -1.109 7.516 2.853 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.711 7.816 3.567 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -1.273 8.622 4.238 1.00 1.30 H new ATOM 880 N THR A 42 -2.878 4.843 7.333 1.00 0.31 N ATOM 881 CA THR A 42 -2.701 3.675 8.176 1.00 0.30 C ATOM 882 C THR A 42 -2.853 2.406 7.347 1.00 0.29 C ATOM 883 O THR A 42 -3.928 2.137 6.804 1.00 0.32 O ATOM 884 CB THR A 42 -3.723 3.656 9.329 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.685 4.898 10.041 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.440 2.509 10.288 1.00 0.45 C ATOM 0 H THR A 42 -3.833 4.981 7.003 1.00 0.31 H new ATOM 0 HA THR A 42 -1.699 3.721 8.603 1.00 0.30 H new ATOM 0 HB THR A 42 -4.715 3.514 8.900 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.339 4.877 10.771 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.175 2.518 11.093 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.501 1.562 9.751 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.441 2.624 10.708 1.00 0.45 H new ATOM 894 N LYS A 43 -1.775 1.644 7.236 1.00 0.31 N ATOM 895 CA LYS A 43 -1.791 0.397 6.482 1.00 0.35 C ATOM 896 C LYS A 43 -2.225 -0.754 7.381 1.00 0.33 C ATOM 897 O LYS A 43 -1.748 -0.882 8.507 1.00 0.41 O ATOM 898 CB LYS A 43 -0.403 0.104 5.903 1.00 0.50 C ATOM 899 CG LYS A 43 0.073 1.121 4.875 1.00 0.77 C ATOM 900 CD LYS A 43 -0.711 1.019 3.574 1.00 0.53 C ATOM 901 CE LYS A 43 -0.228 2.036 2.551 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.930 1.909 1.241 1.00 0.79 N ATOM 0 H LYS A 43 -0.875 1.868 7.660 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.502 0.499 5.662 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.318 0.065 6.720 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.415 -0.883 5.442 1.00 0.50 H new ATOM 0 HG2 LYS A 43 -0.030 2.126 5.284 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.133 0.966 4.674 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.610 0.014 3.165 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.771 1.177 3.773 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.379 3.041 2.944 1.00 0.59 H new ATOM 0 HE3 LYS A 43 0.844 1.911 2.398 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.665 2.705 0.626 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -0.657 1.014 0.786 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -1.958 1.919 1.396 1.00 0.79 H new ATOM 916 N LYS A 44 -3.139 -1.576 6.889 1.00 0.31 N ATOM 917 CA LYS A 44 -3.601 -2.740 7.631 1.00 0.35 C ATOM 918 C LYS A 44 -3.388 -4.003 6.815 1.00 0.34 C ATOM 919 O LYS A 44 -3.964 -4.159 5.744 1.00 0.47 O ATOM 920 CB LYS A 44 -5.088 -2.609 7.973 1.00 0.44 C ATOM 921 CG LYS A 44 -5.403 -1.527 8.992 1.00 0.90 C ATOM 922 CD LYS A 44 -6.903 -1.370 9.177 1.00 0.88 C ATOM 923 CE LYS A 44 -7.238 -0.398 10.292 1.00 1.39 C ATOM 924 NZ LYS A 44 -6.872 -0.932 11.632 1.00 1.96 N ATOM 0 H LYS A 44 -3.577 -1.458 5.976 1.00 0.31 H new ATOM 0 HA LYS A 44 -3.025 -2.800 8.555 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.642 -2.402 7.058 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.447 -3.565 8.353 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.940 -1.776 9.947 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.972 -0.580 8.666 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -7.349 -1.021 8.246 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -7.345 -2.342 9.398 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.714 0.542 10.122 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -8.305 -0.176 10.270 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -7.268 -0.317 12.371 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -7.255 -1.893 11.739 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -5.836 -0.960 11.724 1.00 1.96 H new ATOM 938 N PHE A 45 -2.542 -4.885 7.310 1.00 0.29 N ATOM 939 CA PHE A 45 -2.315 -6.173 6.678 1.00 0.29 C ATOM 940 C PHE A 45 -2.660 -7.295 7.647 1.00 0.30 C ATOM 941 O PHE A 45 -2.345 -7.209 8.834 1.00 0.37 O ATOM 942 CB PHE A 45 -0.863 -6.300 6.229 1.00 0.32 C ATOM 943 CG PHE A 45 -0.516 -5.478 5.024 1.00 0.36 C ATOM 944 CD1 PHE A 45 -0.167 -4.145 5.152 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.529 -6.050 3.763 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.163 -3.396 4.041 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.202 -5.305 2.650 1.00 0.52 C ATOM 948 CZ PHE A 45 0.145 -3.977 2.788 1.00 0.54 C ATOM 0 H PHE A 45 -1.995 -4.732 8.157 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.957 -6.248 5.801 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.213 -6.007 7.054 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.652 -7.347 6.013 1.00 0.32 H new ATOM 0 HD1 PHE A 45 -0.153 -3.687 6.130 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.798 -7.090 3.650 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.435 -2.357 4.151 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.217 -5.761 1.671 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.402 -3.392 1.917 1.00 0.54 H new ATOM 958 N ARG A 46 -3.305 -8.339 7.144 1.00 0.31 N ATOM 959 CA ARG A 46 -3.770 -9.431 7.990 1.00 0.33 C ATOM 960 C ARG A 46 -4.281 -10.590 7.148 1.00 0.31 C ATOM 961 O ARG A 46 -4.378 -10.487 5.927 1.00 0.33 O ATOM 962 CB ARG A 46 -4.898 -8.925 8.895 1.00 0.39 C ATOM 963 CG ARG A 46 -6.054 -8.341 8.105 1.00 0.50 C ATOM 964 CD ARG A 46 -7.072 -7.649 8.988 1.00 0.64 C ATOM 965 NE ARG A 46 -8.062 -6.948 8.176 1.00 1.51 N ATOM 966 CZ ARG A 46 -8.678 -5.828 8.536 1.00 2.03 C ATOM 967 NH1 ARG A 46 -8.491 -5.307 9.743 1.00 1.85 N ATOM 968 NH2 ARG A 46 -9.484 -5.237 7.672 1.00 3.17 N ATOM 0 H ARG A 46 -3.519 -8.453 6.153 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.934 -9.784 8.593 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.261 -9.747 9.512 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.505 -8.167 9.572 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.668 -7.629 7.375 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.545 -9.137 7.545 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.568 -8.382 9.624 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -6.569 -6.943 9.648 1.00 0.64 H new ATOM 0 HE ARG A 46 -8.297 -7.347 7.267 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -7.868 -5.768 10.406 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -8.970 -4.446 10.007 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -9.624 -5.642 6.746 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -9.966 -4.376 7.931 1.00 3.17 H new ATOM 982 N ASN A 47 -4.590 -11.691 7.814 1.00 0.33 N ATOM 983 CA ASN A 47 -5.326 -12.787 7.191 1.00 0.37 C ATOM 984 C ASN A 47 -6.727 -12.291 6.845 1.00 0.39 C ATOM 985 O ASN A 47 -7.154 -11.266 7.379 1.00 0.54 O ATOM 986 CB ASN A 47 -5.400 -13.993 8.130 1.00 0.50 C ATOM 987 CG ASN A 47 -4.055 -14.663 8.332 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.312 -14.330 9.253 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.730 -15.617 7.472 1.00 1.44 N ATOM 0 H ASN A 47 -4.343 -11.853 8.790 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.811 -13.107 6.285 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.790 -13.672 9.096 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.106 -14.719 7.727 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.837 -16.102 7.562 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -4.373 -15.866 6.720 1.00 1.44 H new ATOM 996 N ALA A 48 -7.443 -12.983 5.956 1.00 0.36 N ATOM 997 CA ALA A 48 -8.748 -12.503 5.503 1.00 0.41 C ATOM 998 C ALA A 48 -9.672 -12.211 6.676 1.00 0.64 C ATOM 999 O ALA A 48 -9.865 -13.038 7.571 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.387 -13.496 4.552 1.00 0.49 C ATOM 0 H ALA A 48 -7.145 -13.866 5.541 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.587 -11.568 4.967 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.357 -13.118 4.228 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.743 -13.634 3.683 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.521 -14.451 5.060 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.247 -11.018 6.638 1.00 0.83 N ATOM 1007 CA ALA A 49 -10.982 -10.463 7.758 1.00 1.18 C ATOM 1008 C ALA A 49 -12.272 -11.214 8.023 1.00 1.17 C ATOM 1009 O ALA A 49 -12.629 -11.443 9.176 1.00 1.46 O ATOM 1010 CB ALA A 49 -11.272 -8.998 7.504 1.00 1.48 C ATOM 0 H ALA A 49 -10.215 -10.406 5.822 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.360 -10.566 8.647 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -11.824 -8.585 8.348 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -10.333 -8.457 7.385 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -11.867 -8.897 6.596 1.00 1.48 H new ATOM 1016 N SER A 50 -12.976 -11.595 6.962 1.00 1.12 N ATOM 1017 CA SER A 50 -14.222 -12.335 7.099 1.00 1.50 C ATOM 1018 C SER A 50 -13.952 -13.827 7.316 1.00 1.66 C ATOM 1019 O SER A 50 -14.842 -14.663 7.154 1.00 2.19 O ATOM 1020 CB SER A 50 -15.077 -12.115 5.843 1.00 1.77 C ATOM 1021 OG SER A 50 -16.390 -12.630 5.998 1.00 2.37 O ATOM 0 H SER A 50 -12.703 -11.403 5.998 1.00 1.12 H new ATOM 0 HA SER A 50 -14.761 -11.969 7.973 1.00 1.50 H new ATOM 0 HB2 SER A 50 -15.129 -11.049 5.622 1.00 1.77 H new ATOM 0 HB3 SER A 50 -14.598 -12.594 4.989 1.00 1.77 H new ATOM 0 HG SER A 50 -16.344 -13.536 6.369 1.00 2.37 H new ATOM 1027 N GLY A 51 -12.721 -14.157 7.686 1.00 1.42 N ATOM 1028 CA GLY A 51 -12.373 -15.536 7.975 1.00 1.68 C ATOM 1029 C GLY A 51 -12.277 -16.396 6.732 1.00 1.70 C ATOM 1030 O GLY A 51 -12.422 -17.619 6.802 1.00 1.91 O ATOM 0 H GLY A 51 -11.955 -13.492 7.792 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -11.419 -15.561 8.502 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -13.119 -15.960 8.647 1.00 1.68 H new ATOM 1034 N LYS A 52 -12.057 -15.758 5.595 1.00 1.54 N ATOM 1035 CA LYS A 52 -11.864 -16.457 4.347 1.00 1.60 C ATOM 1036 C LYS A 52 -10.507 -17.157 4.352 1.00 1.44 C ATOM 1037 O LYS A 52 -9.476 -16.516 4.549 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.936 -15.443 3.211 1.00 1.62 C ATOM 1039 CG LYS A 52 -12.030 -16.060 1.834 1.00 1.92 C ATOM 1040 CD LYS A 52 -13.412 -16.635 1.559 1.00 1.94 C ATOM 1041 CE LYS A 52 -14.489 -15.558 1.615 1.00 2.59 C ATOM 1042 NZ LYS A 52 -15.820 -16.080 1.219 1.00 3.17 N ATOM 0 H LYS A 52 -12.008 -14.742 5.517 1.00 1.54 H new ATOM 0 HA LYS A 52 -12.638 -17.213 4.213 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -12.801 -14.799 3.368 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -11.053 -14.805 3.252 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -11.795 -15.306 1.082 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -11.284 -16.849 1.739 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -13.421 -17.109 0.577 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -13.635 -17.412 2.290 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -14.545 -15.153 2.626 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -14.212 -14.734 0.957 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -16.523 -15.315 1.271 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -15.775 -16.443 0.245 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -16.097 -16.849 1.862 1.00 3.17 H new ATOM 1056 N PRO A 53 -10.479 -18.480 4.164 1.00 1.49 N ATOM 1057 CA PRO A 53 -9.228 -19.238 4.169 1.00 1.40 C ATOM 1058 C PRO A 53 -8.403 -18.989 2.914 1.00 1.15 C ATOM 1059 O PRO A 53 -8.959 -18.784 1.828 1.00 1.15 O ATOM 1060 CB PRO A 53 -9.698 -20.688 4.231 1.00 1.68 C ATOM 1061 CG PRO A 53 -11.024 -20.667 3.563 1.00 1.84 C ATOM 1062 CD PRO A 53 -11.649 -19.348 3.932 1.00 1.76 C ATOM 0 HA PRO A 53 -8.576 -18.956 4.995 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -9.004 -21.354 3.719 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -9.775 -21.038 5.260 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -10.919 -20.761 2.482 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -11.643 -21.500 3.897 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -12.284 -18.965 3.133 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -12.272 -19.432 4.822 1.00 1.76 H new ATOM 1070 N ASP A 54 -7.082 -18.943 3.096 1.00 1.04 N ATOM 1071 CA ASP A 54 -6.107 -18.780 2.009 1.00 0.90 C ATOM 1072 C ASP A 54 -5.900 -17.302 1.721 1.00 0.68 C ATOM 1073 O ASP A 54 -4.777 -16.800 1.765 1.00 0.97 O ATOM 1074 CB ASP A 54 -6.519 -19.542 0.734 1.00 1.06 C ATOM 1075 CG ASP A 54 -5.717 -19.139 -0.490 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -6.263 -18.430 -1.363 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -4.528 -19.514 -0.575 1.00 1.60 O ATOM 0 H ASP A 54 -6.650 -19.019 4.017 1.00 1.04 H new ATOM 0 HA ASP A 54 -5.164 -19.216 2.338 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -6.398 -20.612 0.903 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -7.577 -19.367 0.540 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.988 -16.623 1.424 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.962 -15.184 1.184 1.00 0.47 C ATOM 1084 C ARG A 55 -6.632 -14.379 2.438 1.00 0.41 C ATOM 1085 O ARG A 55 -6.816 -14.833 3.570 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.286 -14.723 0.578 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.435 -15.126 -0.879 1.00 1.24 C ATOM 1088 CD ARG A 55 -9.750 -14.653 -1.470 1.00 1.87 C ATOM 1089 NE ARG A 55 -9.807 -14.889 -2.909 1.00 2.57 N ATOM 1090 CZ ARG A 55 -10.793 -15.533 -3.528 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -11.830 -15.998 -2.840 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -10.737 -15.711 -4.840 1.00 4.10 N ATOM 0 H ARG A 55 -7.913 -17.044 1.341 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.157 -14.995 0.474 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -9.110 -15.144 1.153 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.361 -13.639 0.660 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -7.609 -14.711 -1.456 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.369 -16.211 -0.963 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -10.576 -15.171 -0.983 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -9.878 -13.589 -1.270 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.038 -14.536 -3.479 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -11.874 -15.862 -1.830 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -12.582 -16.491 -3.322 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -9.941 -15.355 -5.369 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -11.490 -16.204 -5.320 1.00 4.10 H new ATOM 1106 N TYR A 56 -6.112 -13.184 2.208 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.736 -12.267 3.271 1.00 0.32 C ATOM 1108 C TYR A 56 -6.535 -10.976 3.121 1.00 0.33 C ATOM 1109 O TYR A 56 -7.286 -10.825 2.157 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.229 -11.977 3.201 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.372 -13.222 3.087 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -3.032 -13.758 1.849 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.895 -13.859 4.226 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -2.244 -14.887 1.754 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -2.109 -14.988 4.136 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.815 -15.512 2.855 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.997 -16.620 2.813 1.00 0.97 O ATOM 0 H TYR A 56 -5.938 -12.821 1.271 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.956 -12.714 4.240 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -4.032 -11.332 2.345 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.933 -11.424 4.092 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -3.390 -13.283 0.948 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.144 -13.463 5.199 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.971 -15.269 0.781 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.725 -15.463 5.026 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.996 -16.991 1.906 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.380 -10.050 4.054 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.150 -8.809 4.025 1.00 0.34 C ATOM 1129 C ASP A 57 -6.231 -7.618 4.258 1.00 0.29 C ATOM 1130 O ASP A 57 -5.260 -7.714 5.010 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.251 -8.845 5.085 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.287 -7.756 4.911 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -9.104 -6.658 5.466 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.314 -8.009 4.245 1.00 0.99 O ATOM 0 H ASP A 57 -5.733 -10.130 4.838 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.615 -8.706 3.044 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.746 -9.816 5.052 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.798 -8.751 6.072 1.00 0.43 H new ATOM 1139 N MET A 58 -6.528 -6.504 3.605 1.00 0.27 N ATOM 1140 CA MET A 58 -5.674 -5.326 3.679 1.00 0.26 C ATOM 1141 C MET A 58 -6.514 -4.052 3.585 1.00 0.27 C ATOM 1142 O MET A 58 -7.460 -3.990 2.808 1.00 0.33 O ATOM 1143 CB MET A 58 -4.633 -5.389 2.548 1.00 0.30 C ATOM 1144 CG MET A 58 -3.579 -4.298 2.586 1.00 0.51 C ATOM 1145 SD MET A 58 -4.167 -2.730 1.933 1.00 0.98 S ATOM 1146 CE MET A 58 -2.756 -1.707 2.301 1.00 0.36 C ATOM 0 H MET A 58 -7.354 -6.390 3.018 1.00 0.27 H new ATOM 0 HA MET A 58 -5.155 -5.308 4.637 1.00 0.26 H new ATOM 0 HB2 MET A 58 -4.134 -6.357 2.587 1.00 0.30 H new ATOM 0 HB3 MET A 58 -5.154 -5.337 1.592 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.248 -4.156 3.615 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.709 -4.621 2.013 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.574 -1.026 1.470 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.950 -1.132 3.206 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.879 -2.337 2.452 1.00 0.36 H new ATOM 1156 N GLU A 59 -6.171 -3.041 4.377 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.914 -1.781 4.360 1.00 0.32 C ATOM 1158 C GLU A 59 -5.998 -0.566 4.364 1.00 0.31 C ATOM 1159 O GLU A 59 -4.842 -0.636 4.787 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.877 -1.663 5.549 1.00 0.46 C ATOM 1161 CG GLU A 59 -9.003 -2.680 5.566 1.00 1.03 C ATOM 1162 CD GLU A 59 -10.108 -2.290 6.529 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -10.027 -2.655 7.720 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -11.062 -1.615 6.097 1.00 1.11 O ATOM 0 H GLU A 59 -5.391 -3.066 5.034 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.482 -1.798 3.430 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -7.305 -1.761 6.472 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -8.311 -0.663 5.548 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -9.416 -2.780 4.562 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -8.606 -3.656 5.846 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.545 0.547 3.887 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.857 1.831 3.909 1.00 0.42 C ATOM 1173 C ASN A 60 -6.779 2.894 4.477 1.00 0.46 C ATOM 1174 O ASN A 60 -7.757 3.281 3.833 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.424 2.267 2.506 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.549 1.258 1.804 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.340 1.256 1.980 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -5.151 0.412 0.982 1.00 1.02 N ATOM 0 H ASN A 60 -7.477 0.584 3.475 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.968 1.715 4.530 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.312 2.449 1.901 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.888 3.213 2.578 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.602 -0.276 0.466 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -6.164 0.448 0.865 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.484 3.350 5.681 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.267 4.411 6.299 1.00 0.39 C ATOM 1187 C LEU A 61 -6.522 5.733 6.217 1.00 0.39 C ATOM 1188 O LEU A 61 -5.357 5.823 6.608 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.585 4.077 7.757 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.522 2.888 7.963 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.781 2.669 9.444 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.833 3.107 7.220 1.00 1.66 C ATOM 0 H LEU A 61 -5.711 3.005 6.251 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.207 4.499 5.754 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.650 3.877 8.279 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -8.030 4.955 8.225 1.00 0.42 H new ATOM 0 HG LEU A 61 -8.043 1.996 7.559 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.450 1.819 9.574 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.838 2.470 9.953 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.241 3.561 9.869 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.488 2.250 7.378 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -10.318 4.008 7.595 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.633 3.219 6.154 1.00 1.66 H new ATOM 1204 N THR A 62 -7.191 6.753 5.704 1.00 0.34 N ATOM 1205 CA THR A 62 -6.586 8.057 5.555 1.00 0.35 C ATOM 1206 C THR A 62 -7.538 9.123 6.070 1.00 0.37 C ATOM 1207 O THR A 62 -8.548 8.805 6.699 1.00 0.43 O ATOM 1208 CB THR A 62 -6.209 8.361 4.086 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.382 8.444 3.277 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.297 7.287 3.519 1.00 0.45 C ATOM 0 H THR A 62 -8.158 6.697 5.384 1.00 0.34 H new ATOM 0 HA THR A 62 -5.665 8.062 6.138 1.00 0.35 H new ATOM 0 HB THR A 62 -5.684 9.316 4.075 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.226 9.068 2.537 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.049 7.528 2.485 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.382 7.238 4.109 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.804 6.323 3.555 1.00 0.45 H new ATOM 1218 N THR A 63 -7.229 10.376 5.807 1.00 0.42 N ATOM 1219 CA THR A 63 -8.060 11.468 6.270 1.00 0.46 C ATOM 1220 C THR A 63 -9.122 11.833 5.237 1.00 0.46 C ATOM 1221 O THR A 63 -10.133 12.456 5.559 1.00 0.54 O ATOM 1222 CB THR A 63 -7.187 12.694 6.571 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.564 13.155 5.364 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.113 12.327 7.581 1.00 0.50 C ATOM 0 H THR A 63 -6.408 10.664 5.275 1.00 0.42 H new ATOM 0 HA THR A 63 -8.567 11.145 7.179 1.00 0.46 H new ATOM 0 HB THR A 63 -7.816 13.484 6.981 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.155 14.031 5.521 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.497 13.201 7.791 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.583 11.985 8.503 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.488 11.532 7.175 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.889 11.439 3.991 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.775 11.805 2.895 1.00 0.50 C ATOM 1234 C LYS A 64 -10.451 10.582 2.296 1.00 0.49 C ATOM 1235 O LYS A 64 -11.491 10.689 1.643 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.973 12.541 1.817 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.367 13.848 2.298 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.427 14.879 2.666 1.00 0.88 C ATOM 1239 CE LYS A 64 -10.242 15.311 1.456 1.00 1.64 C ATOM 1240 NZ LYS A 64 -11.175 16.422 1.783 1.00 2.24 N ATOM 0 H LYS A 64 -8.092 10.865 3.715 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.555 12.458 3.286 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.175 11.889 1.461 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.623 12.743 0.966 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.735 13.655 3.165 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.723 14.255 1.519 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -10.092 14.462 3.422 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -8.947 15.751 3.110 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -9.569 15.625 0.658 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -10.809 14.460 1.078 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -11.711 16.687 0.932 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -11.834 16.114 2.526 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -10.633 17.243 2.120 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.863 9.418 2.523 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.346 8.190 1.916 1.00 0.49 C ATOM 1256 C LYS A 65 -10.491 7.082 2.951 1.00 0.52 C ATOM 1257 O LYS A 65 -10.583 7.340 4.152 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.393 7.756 0.787 1.00 0.73 C ATOM 1259 CG LYS A 65 -9.500 8.604 -0.470 1.00 1.18 C ATOM 1260 CD LYS A 65 -10.900 8.549 -1.069 1.00 1.22 C ATOM 1261 CE LYS A 65 -11.299 7.136 -1.476 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.689 7.086 -2.007 1.00 1.82 N ATOM 0 H LYS A 65 -9.048 9.299 3.125 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.334 8.379 1.496 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.368 7.797 1.155 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.599 6.717 0.531 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -9.245 9.637 -0.235 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -8.775 8.257 -1.206 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.618 8.933 -0.344 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -10.946 9.202 -1.940 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -10.607 6.767 -2.233 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -11.214 6.472 -0.616 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -12.889 6.131 -2.367 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -13.360 7.317 -1.246 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -12.791 7.775 -2.779 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.437 5.859 2.449 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.694 4.635 3.208 1.00 0.39 C ATOM 1278 C ASP A 66 -10.971 3.526 2.216 1.00 0.43 C ATOM 1279 O ASP A 66 -11.867 3.627 1.377 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.853 4.756 4.218 1.00 0.57 C ATOM 1281 CG ASP A 66 -13.232 4.813 3.589 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.942 3.785 3.595 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -13.600 5.883 3.058 1.00 2.12 O ATOM 0 H ASP A 66 -10.206 5.680 1.472 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.812 4.423 3.812 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.814 3.907 4.900 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.704 5.654 4.817 1.00 0.57 H new ATOM 1288 N THR A 67 -10.159 2.496 2.266 1.00 0.35 N ATOM 1289 CA THR A 67 -10.247 1.418 1.299 1.00 0.32 C ATOM 1290 C THR A 67 -10.106 0.080 2.005 1.00 0.26 C ATOM 1291 O THR A 67 -9.355 -0.032 2.977 1.00 0.30 O ATOM 1292 CB THR A 67 -9.146 1.547 0.222 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.856 1.453 0.836 1.00 0.38 O ATOM 1294 CG2 THR A 67 -9.252 2.875 -0.518 1.00 0.56 C ATOM 0 H THR A 67 -9.427 2.378 2.966 1.00 0.35 H new ATOM 0 HA THR A 67 -11.220 1.479 0.811 1.00 0.32 H new ATOM 0 HB THR A 67 -9.279 0.737 -0.495 1.00 0.38 H new ATOM 0 HG1 THR A 67 -7.942 1.024 1.713 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.465 2.937 -1.269 1.00 0.56 H new ATOM 0 HG22 THR A 67 -10.225 2.943 -1.005 1.00 0.56 H new ATOM 0 HG23 THR A 67 -9.143 3.696 0.191 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.809 -0.930 1.519 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.781 -2.234 2.151 1.00 0.23 C ATOM 1304 C HIS A 68 -10.566 -3.318 1.103 1.00 0.22 C ATOM 1305 O HIS A 68 -11.517 -3.814 0.503 1.00 0.27 O ATOM 1306 CB HIS A 68 -12.086 -2.486 2.926 1.00 0.32 C ATOM 1307 CG HIS A 68 -12.078 -3.737 3.766 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.897 -3.920 4.861 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -11.357 -4.879 3.651 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.676 -5.116 5.378 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.748 -5.713 4.661 1.00 1.95 N ATOM 0 H HIS A 68 -11.403 -0.870 0.692 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.952 -2.262 2.859 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -12.282 -1.630 3.572 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.911 -2.545 2.216 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.611 -5.091 2.900 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -13.173 -5.533 6.242 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.379 -6.649 4.832 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.309 -3.685 0.900 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.959 -4.769 -0.007 1.00 0.26 C ATOM 1322 C HIS A 69 -9.325 -6.095 0.644 1.00 0.29 C ATOM 1323 O HIS A 69 -8.487 -6.734 1.284 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.461 -4.755 -0.335 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.979 -3.511 -1.021 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.792 -2.692 -1.769 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.744 -2.962 -1.082 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -7.078 -1.701 -2.266 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.829 -1.839 -1.864 1.00 0.39 N ATOM 0 H HIS A 69 -8.509 -3.245 1.355 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.511 -4.638 -0.938 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.900 -4.884 0.590 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.234 -5.613 -0.968 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.792 -2.830 -1.916 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.853 -3.340 -0.602 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.453 -0.909 -2.897 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -5.056 -1.215 -2.096 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.579 -6.483 0.508 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.093 -7.659 1.175 1.00 0.37 C ATOM 1340 C LYS A 70 -10.815 -8.940 0.395 1.00 0.31 C ATOM 1341 O LYS A 70 -11.197 -9.073 -0.768 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.591 -7.488 1.399 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.336 -7.018 0.160 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.791 -6.765 0.464 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.970 -5.508 1.296 1.00 1.43 C ATOM 1346 NZ LYS A 70 -16.383 -5.308 1.699 1.00 2.30 N ATOM 0 H LYS A 70 -11.265 -5.993 -0.066 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.578 -7.758 2.130 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.012 -8.437 1.729 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.751 -6.771 2.204 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.877 -6.105 -0.220 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.251 -7.769 -0.626 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.348 -6.669 -0.468 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.207 -7.619 0.998 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.344 -5.570 2.186 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.629 -4.644 0.726 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -16.463 -4.439 2.265 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.978 -5.224 0.850 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -16.701 -6.121 2.265 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.114 -9.854 1.055 1.00 0.33 N ATOM 1361 CA ASP A 71 -9.923 -11.220 0.569 1.00 0.37 C ATOM 1362 C ASP A 71 -9.092 -11.257 -0.709 1.00 0.33 C ATOM 1363 O ASP A 71 -9.630 -11.381 -1.809 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.267 -11.921 0.326 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.170 -11.940 1.542 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -11.660 -12.077 2.672 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -13.403 -11.827 1.366 1.00 2.07 O ATOM 0 H ASP A 71 -9.658 -9.670 1.949 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.381 -11.753 1.350 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -11.785 -11.422 -0.493 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.080 -12.946 0.007 1.00 0.51 H new ATOM 1372 N TRP A 72 -7.783 -11.149 -0.561 1.00 0.29 N ATOM 1373 CA TRP A 72 -6.873 -11.285 -1.688 1.00 0.30 C ATOM 1374 C TRP A 72 -5.891 -12.420 -1.458 1.00 0.31 C ATOM 1375 O TRP A 72 -5.428 -12.637 -0.339 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.104 -9.981 -1.936 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.532 -9.357 -0.695 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.153 -8.443 0.102 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.237 -9.584 -0.111 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.334 -8.092 1.143 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.155 -8.775 1.035 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.136 -10.387 -0.434 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -3.026 -8.749 1.848 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.022 -10.346 0.391 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.981 -9.535 1.512 1.00 0.43 C ATOM 0 H TRP A 72 -7.324 -10.967 0.331 1.00 0.29 H new ATOM 0 HA TRP A 72 -7.475 -11.511 -2.568 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -5.293 -10.179 -2.637 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -6.771 -9.264 -2.415 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.146 -8.052 -0.063 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.567 -7.427 1.881 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.154 -11.024 -1.306 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.987 -8.118 2.723 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.167 -10.961 0.153 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -1.095 -9.531 2.130 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.604 -13.163 -2.510 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.560 -14.169 -2.470 1.00 0.50 C ATOM 1398 C ALA A 73 -3.365 -13.677 -3.266 1.00 0.48 C ATOM 1399 O ALA A 73 -3.510 -12.827 -4.144 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.068 -15.487 -3.034 1.00 0.55 C ATOM 0 H ALA A 73 -6.082 -13.088 -3.408 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.261 -14.338 -1.436 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.271 -16.230 -2.996 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -5.916 -15.833 -2.443 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.381 -15.344 -4.068 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.180 -14.153 -2.928 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.004 -13.845 -3.723 1.00 0.67 C ATOM 1408 C LEU A 74 -1.187 -14.254 -5.172 1.00 0.57 C ATOM 1409 O LEU A 74 -1.689 -15.340 -5.474 1.00 0.56 O ATOM 1410 CB LEU A 74 0.241 -14.513 -3.166 1.00 0.95 C ATOM 1411 CG LEU A 74 0.841 -13.840 -1.943 1.00 0.68 C ATOM 1412 CD1 LEU A 74 0.271 -14.429 -0.668 1.00 1.28 C ATOM 1413 CD2 LEU A 74 2.349 -13.958 -1.984 1.00 1.71 C ATOM 0 H LEU A 74 -2.007 -14.748 -2.118 1.00 0.60 H new ATOM 0 HA LEU A 74 -0.874 -12.764 -3.675 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.002 -15.545 -2.911 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.997 -14.548 -3.950 1.00 0.95 H new ATOM 0 HG LEU A 74 0.579 -12.782 -1.954 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.716 -13.931 0.193 1.00 1.28 H new ATOM 0 HD12 LEU A 74 -0.809 -14.286 -0.652 1.00 1.28 H new ATOM 0 HD13 LEU A 74 0.496 -15.495 -0.627 1.00 1.28 H new ATOM 0 HD21 LEU A 74 2.776 -13.474 -1.105 1.00 1.71 H new ATOM 0 HD22 LEU A 74 2.632 -15.011 -1.992 1.00 1.71 H new ATOM 0 HD23 LEU A 74 2.727 -13.474 -2.884 1.00 1.71 H new ATOM 1425 N GLY A 75 -0.769 -13.367 -6.055 1.00 0.58 N ATOM 1426 CA GLY A 75 -0.927 -13.584 -7.477 1.00 0.56 C ATOM 1427 C GLY A 75 -2.368 -13.438 -7.930 1.00 0.51 C ATOM 1428 O GLY A 75 -2.721 -13.850 -9.035 1.00 0.59 O ATOM 0 H GLY A 75 -0.316 -12.487 -5.809 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.305 -12.874 -8.021 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -0.569 -14.582 -7.731 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.204 -12.849 -7.084 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.616 -12.703 -7.399 1.00 0.40 C ATOM 1434 C GLU A 76 -4.968 -11.255 -7.721 1.00 0.36 C ATOM 1435 O GLU A 76 -4.634 -10.329 -6.975 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.483 -13.232 -6.252 1.00 0.44 C ATOM 1437 CG GLU A 76 -6.977 -13.126 -6.505 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.790 -13.940 -5.522 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -7.953 -13.492 -4.365 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.271 -15.028 -5.890 1.00 1.59 O ATOM 0 H GLU A 76 -2.929 -12.467 -6.179 1.00 0.42 H new ATOM 0 HA GLU A 76 -4.822 -13.298 -8.289 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.229 -14.276 -6.071 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.239 -12.682 -5.343 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.279 -12.081 -6.444 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.195 -13.462 -7.519 1.00 0.92 H new ATOM 1447 N GLU A 77 -5.600 -11.080 -8.869 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.125 -9.795 -9.289 1.00 0.43 C ATOM 1449 C GLU A 77 -7.612 -9.720 -8.958 1.00 0.44 C ATOM 1450 O GLU A 77 -8.401 -10.562 -9.396 1.00 0.54 O ATOM 1451 CB GLU A 77 -5.908 -9.617 -10.792 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.380 -8.281 -11.340 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.187 -8.180 -12.838 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.033 -8.265 -13.302 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.188 -7.999 -13.560 1.00 0.90 O ATOM 0 H GLU A 77 -5.764 -11.831 -9.539 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.603 -8.997 -8.761 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -4.846 -9.730 -11.009 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.428 -10.417 -11.319 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.434 -8.144 -11.101 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -5.834 -7.475 -10.849 1.00 0.74 H new ATOM 1462 N PHE A 78 -7.986 -8.725 -8.180 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.369 -8.540 -7.775 1.00 0.41 C ATOM 1464 C PHE A 78 -9.767 -7.088 -7.980 1.00 0.42 C ATOM 1465 O PHE A 78 -8.909 -6.217 -8.064 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.552 -8.941 -6.306 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.732 -8.131 -5.341 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.391 -8.417 -5.139 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.303 -7.084 -4.638 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.637 -7.674 -4.252 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.553 -6.339 -3.751 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.213 -6.631 -3.565 1.00 0.52 C ATOM 0 H PHE A 78 -7.345 -8.023 -7.811 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.010 -9.176 -8.386 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.605 -8.843 -6.042 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.292 -9.993 -6.193 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -6.931 -9.230 -5.681 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.346 -6.848 -4.785 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.595 -7.912 -4.098 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -9.011 -5.529 -3.203 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.621 -6.041 -2.882 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.057 -6.832 -8.079 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.538 -5.471 -8.221 1.00 0.51 C ATOM 1484 C GLN A 79 -11.804 -4.883 -6.844 1.00 0.50 C ATOM 1485 O GLN A 79 -12.313 -5.575 -5.959 1.00 0.54 O ATOM 1486 CB GLN A 79 -12.803 -5.434 -9.074 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.181 -4.038 -9.537 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.352 -4.042 -10.496 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -14.059 -4.171 -11.779 1.00 1.95 O flip ATOM 1490 NE2 GLN A 79 -15.509 -3.940 -10.088 1.00 1.94 N flip ATOM 0 H GLN A 79 -11.787 -7.544 -8.064 1.00 0.46 H new ATOM 0 HA GLN A 79 -10.777 -4.874 -8.724 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.662 -6.072 -9.947 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.630 -5.855 -8.502 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.428 -3.426 -8.670 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.321 -3.574 -10.020 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.691 -3.842 -9.089 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -16.286 -3.953 -10.749 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.466 -3.616 -6.668 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.592 -2.968 -5.365 1.00 0.49 C ATOM 1501 C ASP A 80 -11.406 -1.465 -5.519 1.00 0.52 C ATOM 1502 O ASP A 80 -10.897 -1.005 -6.546 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.540 -3.519 -4.397 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.931 -3.353 -2.943 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -11.856 -4.055 -2.491 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -10.320 -2.517 -2.251 1.00 1.26 O ATOM 0 H ASP A 80 -11.103 -3.014 -7.407 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.585 -3.172 -4.964 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.380 -4.577 -4.606 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.591 -3.012 -4.573 1.00 0.63 H new ATOM 1511 N GLU A 81 -11.793 -0.706 -4.502 1.00 0.53 N ATOM 1512 CA GLU A 81 -11.637 0.742 -4.539 1.00 0.65 C ATOM 1513 C GLU A 81 -10.370 1.133 -3.809 1.00 0.63 C ATOM 1514 O GLU A 81 -10.213 0.866 -2.620 1.00 0.82 O ATOM 1515 CB GLU A 81 -12.837 1.460 -3.919 1.00 0.81 C ATOM 1516 CG GLU A 81 -12.757 2.976 -4.055 1.00 1.64 C ATOM 1517 CD GLU A 81 -13.834 3.697 -3.272 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.027 3.447 -3.525 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -13.487 4.531 -2.405 1.00 1.81 O ATOM 0 H GLU A 81 -12.215 -1.066 -3.646 1.00 0.53 H new ATOM 0 HA GLU A 81 -11.575 1.047 -5.584 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -13.751 1.105 -4.395 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -12.905 1.198 -2.863 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -11.779 3.315 -3.714 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -12.839 3.246 -5.108 1.00 1.64 H new ATOM 1526 N ALA A 82 -9.464 1.737 -4.545 1.00 0.61 N ATOM 1527 CA ALA A 82 -8.185 2.137 -4.003 1.00 0.67 C ATOM 1528 C ALA A 82 -8.194 3.588 -3.538 1.00 0.60 C ATOM 1529 O ALA A 82 -9.224 4.264 -3.629 1.00 0.59 O ATOM 1530 CB ALA A 82 -7.109 1.900 -5.036 1.00 0.95 C ATOM 0 H ALA A 82 -9.592 1.964 -5.531 1.00 0.61 H new ATOM 0 HA ALA A 82 -7.977 1.531 -3.122 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -6.143 2.201 -4.631 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -7.080 0.842 -5.295 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -7.326 2.486 -5.929 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.060 4.063 -3.034 1.00 0.60 N ATOM 1537 CA LEU A 83 -6.958 5.421 -2.496 1.00 0.58 C ATOM 1538 C LEU A 83 -7.393 6.466 -3.517 1.00 0.59 C ATOM 1539 O LEU A 83 -7.891 7.529 -3.146 1.00 0.62 O ATOM 1540 CB LEU A 83 -5.526 5.725 -2.031 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.076 5.028 -0.739 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.081 5.268 0.379 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -4.859 3.539 -0.965 1.00 1.34 C ATOM 0 H LEU A 83 -6.193 3.527 -2.985 1.00 0.60 H new ATOM 0 HA LEU A 83 -7.631 5.472 -1.640 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -4.839 5.445 -2.830 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.431 6.802 -1.891 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.122 5.460 -0.438 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -5.744 4.766 1.286 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.167 6.338 0.568 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.053 4.872 0.085 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.541 3.072 -0.033 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -5.790 3.082 -1.300 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.090 3.394 -1.724 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.257 6.135 -4.793 1.00 0.60 N ATOM 1556 CA ASP A 84 -7.541 7.083 -5.870 1.00 0.67 C ATOM 1557 C ASP A 84 -9.043 7.224 -6.128 1.00 0.69 C ATOM 1558 O ASP A 84 -9.466 7.698 -7.185 1.00 0.78 O ATOM 1559 CB ASP A 84 -6.789 6.705 -7.154 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.090 5.302 -7.661 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.042 4.344 -6.863 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -7.346 5.138 -8.871 1.00 1.39 O ATOM 0 H ASP A 84 -6.951 5.216 -5.112 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.180 8.058 -5.544 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.041 7.423 -7.934 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -5.718 6.792 -6.974 1.00 0.70 H new ATOM 1567 N SER A 85 -9.834 6.782 -5.154 1.00 0.67 N ATOM 1568 CA SER A 85 -11.266 7.074 -5.085 1.00 0.74 C ATOM 1569 C SER A 85 -12.027 6.492 -6.274 1.00 0.77 C ATOM 1570 O SER A 85 -13.068 7.011 -6.680 1.00 1.09 O ATOM 1571 CB SER A 85 -11.491 8.586 -4.982 1.00 0.84 C ATOM 1572 OG SER A 85 -12.716 8.873 -4.326 1.00 1.21 O ATOM 0 H SER A 85 -9.498 6.206 -4.383 1.00 0.67 H new ATOM 0 HA SER A 85 -11.660 6.594 -4.189 1.00 0.74 H new ATOM 0 HB2 SER A 85 -10.666 9.044 -4.436 1.00 0.84 H new ATOM 0 HB3 SER A 85 -11.497 9.025 -5.979 1.00 0.84 H new ATOM 0 HG SER A 85 -13.447 8.402 -4.777 1.00 1.21 H new ATOM 1578 N THR A 86 -11.494 5.419 -6.823 1.00 0.67 N ATOM 1579 CA THR A 86 -12.163 4.672 -7.871 1.00 0.67 C ATOM 1580 C THR A 86 -11.935 3.193 -7.648 1.00 0.66 C ATOM 1581 O THR A 86 -11.011 2.805 -6.926 1.00 0.76 O ATOM 1582 CB THR A 86 -11.647 5.061 -9.272 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.217 5.154 -9.267 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.250 6.377 -9.728 1.00 0.93 C ATOM 0 H THR A 86 -10.586 5.040 -6.556 1.00 0.67 H new ATOM 0 HA THR A 86 -13.226 4.908 -7.828 1.00 0.67 H new ATOM 0 HB THR A 86 -11.952 4.283 -9.972 1.00 0.76 H new ATOM 0 HG1 THR A 86 -9.950 6.092 -9.361 1.00 0.86 H new ATOM 0 HG21 THR A 86 -11.870 6.628 -10.718 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.335 6.285 -9.769 1.00 0.93 H new ATOM 0 HG23 THR A 86 -11.979 7.165 -9.025 1.00 0.93 H new ATOM 1592 N GLN A 87 -12.746 2.359 -8.269 1.00 0.68 N ATOM 1593 CA GLN A 87 -12.570 0.933 -8.129 1.00 0.76 C ATOM 1594 C GLN A 87 -12.090 0.354 -9.431 1.00 0.66 C ATOM 1595 O GLN A 87 -12.659 0.601 -10.495 1.00 0.89 O ATOM 1596 CB GLN A 87 -13.833 0.224 -7.654 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.106 0.652 -8.354 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.326 -0.019 -7.761 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.265 -0.313 -6.468 1.00 1.88 O flip ATOM 1600 NE2 GLN A 87 -17.313 -0.269 -8.453 1.00 1.33 N flip ATOM 0 H GLN A 87 -13.522 2.642 -8.867 1.00 0.68 H new ATOM 0 HA GLN A 87 -11.820 0.770 -7.355 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -13.703 -0.849 -7.792 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -13.948 0.396 -6.584 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.215 1.734 -8.281 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -15.037 0.409 -9.414 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -17.316 -0.025 -9.443 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -18.127 -0.720 -8.036 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.023 -0.397 -9.340 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.348 -0.898 -10.512 1.00 0.53 C ATOM 1611 C HIS A 88 -9.632 -2.192 -10.182 1.00 0.49 C ATOM 1612 O HIS A 88 -9.679 -2.640 -9.038 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.376 0.158 -11.042 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.696 0.939 -9.964 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.840 0.372 -9.048 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.793 2.247 -9.629 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.446 1.296 -8.198 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -8.006 2.438 -8.528 1.00 0.97 N ATOM 0 H HIS A 88 -10.598 -0.678 -8.456 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.079 -1.108 -11.293 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -8.620 -0.331 -11.657 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -9.918 0.846 -11.691 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.381 2.998 -10.136 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.774 1.141 -7.367 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.875 3.324 -8.041 1.00 0.97 H new ATOM 1627 N LYS A 89 -8.968 -2.787 -11.167 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.307 -4.062 -10.946 1.00 0.49 C ATOM 1629 C LYS A 89 -7.082 -3.867 -10.068 1.00 0.45 C ATOM 1630 O LYS A 89 -6.329 -2.900 -10.230 1.00 0.50 O ATOM 1631 CB LYS A 89 -7.922 -4.741 -12.265 1.00 0.61 C ATOM 1632 CG LYS A 89 -6.926 -3.961 -13.109 1.00 1.06 C ATOM 1633 CD LYS A 89 -6.334 -4.798 -14.241 1.00 1.08 C ATOM 1634 CE LYS A 89 -7.330 -5.082 -15.363 1.00 1.15 C ATOM 1635 NZ LYS A 89 -8.369 -6.077 -14.980 1.00 1.49 N ATOM 0 H LYS A 89 -8.875 -2.412 -12.111 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.011 -4.720 -10.437 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -7.502 -5.722 -12.045 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -8.826 -4.905 -12.852 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.419 -3.085 -13.530 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.120 -3.598 -12.471 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -5.469 -4.279 -14.654 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -5.974 -5.744 -13.835 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -7.816 -4.151 -15.654 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -6.790 -5.447 -16.237 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -8.491 -6.765 -15.750 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -8.072 -6.574 -14.116 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -9.270 -5.588 -14.806 1.00 1.49 H new ATOM 1649 N ILE A 90 -6.918 -4.764 -9.121 1.00 0.38 N ATOM 1650 CA ILE A 90 -5.816 -4.709 -8.188 1.00 0.35 C ATOM 1651 C ILE A 90 -5.181 -6.080 -8.044 1.00 0.34 C ATOM 1652 O ILE A 90 -5.865 -7.066 -7.781 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.279 -4.217 -6.806 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.747 -2.762 -6.899 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.168 -4.380 -5.781 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.162 -2.167 -5.576 1.00 0.54 C ATOM 0 H ILE A 90 -7.547 -5.554 -8.976 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.084 -4.004 -8.582 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.122 -4.824 -6.475 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.944 -2.159 -7.321 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.587 -2.704 -7.591 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.514 -4.027 -4.810 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.892 -5.432 -5.707 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.300 -3.798 -6.090 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.480 -1.135 -5.725 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.987 -2.745 -5.160 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.319 -2.191 -4.886 1.00 0.54 H new ATOM 1668 N THR A 91 -3.882 -6.140 -8.238 1.00 0.30 N ATOM 1669 CA THR A 91 -3.159 -7.383 -8.101 1.00 0.30 C ATOM 1670 C THR A 91 -2.216 -7.328 -6.908 1.00 0.28 C ATOM 1671 O THR A 91 -1.422 -6.393 -6.775 1.00 0.31 O ATOM 1672 CB THR A 91 -2.351 -7.691 -9.375 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.191 -7.549 -10.526 1.00 0.43 O ATOM 1674 CG2 THR A 91 -1.778 -9.101 -9.333 1.00 0.37 C ATOM 0 H THR A 91 -3.304 -5.339 -8.492 1.00 0.30 H new ATOM 0 HA THR A 91 -3.891 -8.175 -7.944 1.00 0.30 H new ATOM 0 HB THR A 91 -1.523 -6.985 -9.433 1.00 0.33 H new ATOM 0 HG1 THR A 91 -2.673 -7.744 -11.335 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.212 -9.291 -10.245 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.119 -9.201 -8.470 1.00 0.37 H new ATOM 0 HG23 THR A 91 -2.592 -9.822 -9.254 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.316 -8.326 -6.046 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.370 -8.483 -4.955 1.00 0.33 C ATOM 1684 C PHE A 92 -0.414 -9.600 -5.306 1.00 0.39 C ATOM 1685 O PHE A 92 -0.834 -10.725 -5.565 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.064 -8.774 -3.623 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.386 -7.537 -2.828 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.405 -6.688 -3.231 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.676 -7.225 -1.682 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.707 -5.552 -2.505 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.974 -6.091 -0.953 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.967 -5.252 -1.356 1.00 0.52 C ATOM 0 H PHE A 92 -3.044 -9.040 -6.081 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.830 -7.545 -4.826 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -2.986 -9.322 -3.816 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.426 -9.424 -3.025 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -3.969 -6.917 -4.123 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.879 -7.876 -1.354 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.508 -4.901 -2.822 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.415 -5.868 -0.056 1.00 0.46 H new ATOM 0 HZ PHE A 92 -3.183 -4.357 -0.791 1.00 0.52 H new ATOM 1702 N ASP A 93 0.865 -9.292 -5.317 1.00 0.37 N ATOM 1703 CA ASP A 93 1.868 -10.223 -5.799 1.00 0.43 C ATOM 1704 C ASP A 93 3.207 -9.869 -5.181 1.00 0.36 C ATOM 1705 O ASP A 93 3.413 -8.734 -4.771 1.00 0.39 O ATOM 1706 CB ASP A 93 1.938 -10.162 -7.331 1.00 0.58 C ATOM 1707 CG ASP A 93 2.961 -11.111 -7.924 1.00 0.80 C ATOM 1708 OD1 ASP A 93 3.632 -10.725 -8.904 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.102 -12.242 -7.416 1.00 1.24 O ATOM 0 H ASP A 93 1.239 -8.399 -4.996 1.00 0.37 H new ATOM 0 HA ASP A 93 1.604 -11.241 -5.511 1.00 0.43 H new ATOM 0 HB2 ASP A 93 0.956 -10.395 -7.742 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.178 -9.144 -7.636 1.00 0.58 H new ATOM 1714 N LEU A 94 4.101 -10.830 -5.096 1.00 0.42 N ATOM 1715 CA LEU A 94 5.398 -10.591 -4.493 1.00 0.51 C ATOM 1716 C LEU A 94 6.458 -10.391 -5.557 1.00 0.56 C ATOM 1717 O LEU A 94 6.520 -11.125 -6.542 1.00 0.63 O ATOM 1718 CB LEU A 94 5.789 -11.720 -3.554 1.00 0.61 C ATOM 1719 CG LEU A 94 5.746 -11.326 -2.081 1.00 0.64 C ATOM 1720 CD1 LEU A 94 4.324 -11.005 -1.649 1.00 1.02 C ATOM 1721 CD2 LEU A 94 6.337 -12.419 -1.224 1.00 1.12 C ATOM 0 H LEU A 94 3.956 -11.781 -5.435 1.00 0.42 H new ATOM 0 HA LEU A 94 5.324 -9.677 -3.904 1.00 0.51 H new ATOM 0 HB2 LEU A 94 5.120 -12.565 -3.716 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.795 -12.057 -3.803 1.00 0.61 H new ATOM 0 HG LEU A 94 6.347 -10.427 -1.948 1.00 0.64 H new ATOM 0 HD11 LEU A 94 4.318 -10.727 -0.595 1.00 1.02 H new ATOM 0 HD12 LEU A 94 3.941 -10.177 -2.245 1.00 1.02 H new ATOM 0 HD13 LEU A 94 3.692 -11.881 -1.797 1.00 1.02 H new ATOM 0 HD21 LEU A 94 6.298 -12.121 -0.176 1.00 1.12 H new ATOM 0 HD22 LEU A 94 5.767 -13.338 -1.361 1.00 1.12 H new ATOM 0 HD23 LEU A 94 7.374 -12.589 -1.515 1.00 1.12 H new ATOM 1733 N LYS A 95 7.280 -9.381 -5.351 1.00 0.58 N ATOM 1734 CA LYS A 95 8.335 -9.045 -6.288 1.00 0.66 C ATOM 1735 C LYS A 95 9.619 -9.721 -5.841 1.00 0.69 C ATOM 1736 O LYS A 95 10.249 -10.461 -6.594 1.00 0.78 O ATOM 1737 CB LYS A 95 8.518 -7.527 -6.336 1.00 0.70 C ATOM 1738 CG LYS A 95 9.465 -7.047 -7.422 1.00 0.91 C ATOM 1739 CD LYS A 95 9.722 -5.554 -7.295 1.00 1.61 C ATOM 1740 CE LYS A 95 10.552 -5.018 -8.451 1.00 2.08 C ATOM 1741 NZ LYS A 95 9.822 -5.096 -9.743 1.00 3.03 N ATOM 0 H LYS A 95 7.236 -8.772 -4.534 1.00 0.58 H new ATOM 0 HA LYS A 95 8.073 -9.392 -7.288 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.545 -7.060 -6.486 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.889 -7.187 -5.369 1.00 0.70 H new ATOM 0 HG2 LYS A 95 10.408 -7.590 -7.354 1.00 0.91 H new ATOM 0 HG3 LYS A 95 9.041 -7.265 -8.402 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.770 -5.024 -7.256 1.00 1.61 H new ATOM 0 HD3 LYS A 95 10.237 -5.353 -6.355 1.00 1.61 H new ATOM 0 HE2 LYS A 95 10.826 -3.982 -8.251 1.00 2.08 H new ATOM 0 HE3 LYS A 95 11.480 -5.585 -8.524 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 10.321 -4.529 -10.458 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 9.776 -6.087 -10.057 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 8.858 -4.727 -9.620 1.00 3.03 H new ATOM 1755 N ASP A 96 9.983 -9.467 -4.595 1.00 0.65 N ATOM 1756 CA ASP A 96 11.115 -10.117 -3.960 1.00 0.70 C ATOM 1757 C ASP A 96 10.618 -10.834 -2.713 1.00 0.65 C ATOM 1758 O ASP A 96 9.490 -10.601 -2.276 1.00 0.60 O ATOM 1759 CB ASP A 96 12.179 -9.081 -3.573 1.00 0.76 C ATOM 1760 CG ASP A 96 12.804 -8.392 -4.766 1.00 1.09 C ATOM 1761 OD1 ASP A 96 12.242 -7.383 -5.237 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.857 -8.857 -5.245 1.00 1.79 O ATOM 0 H ASP A 96 9.499 -8.801 -3.994 1.00 0.65 H new ATOM 0 HA ASP A 96 11.566 -10.828 -4.652 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.727 -8.331 -2.924 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.961 -9.572 -2.995 1.00 0.76 H new ATOM 1767 N PRO A 97 11.446 -11.702 -2.107 1.00 0.73 N ATOM 1768 CA PRO A 97 11.081 -12.435 -0.887 1.00 0.76 C ATOM 1769 C PRO A 97 11.021 -11.522 0.339 1.00 0.66 C ATOM 1770 O PRO A 97 11.005 -11.988 1.479 1.00 0.73 O ATOM 1771 CB PRO A 97 12.203 -13.476 -0.733 1.00 0.91 C ATOM 1772 CG PRO A 97 12.932 -13.464 -2.037 1.00 0.98 C ATOM 1773 CD PRO A 97 12.795 -12.066 -2.556 1.00 0.87 C ATOM 0 HA PRO A 97 10.088 -12.878 -0.962 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.868 -13.219 0.092 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.796 -14.464 -0.519 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.980 -13.733 -1.904 1.00 0.98 H new ATOM 0 HG3 PRO A 97 12.504 -14.185 -2.733 1.00 0.98 H new ATOM 0 HD2 PRO A 97 13.555 -11.402 -2.144 1.00 0.87 H new ATOM 0 HD3 PRO A 97 12.889 -12.023 -3.641 1.00 0.87 H new ATOM 1781 N ASN A 98 10.998 -10.221 0.083 1.00 0.57 N ATOM 1782 CA ASN A 98 10.875 -9.214 1.126 1.00 0.55 C ATOM 1783 C ASN A 98 10.108 -8.005 0.602 1.00 0.46 C ATOM 1784 O ASN A 98 10.112 -6.944 1.225 1.00 0.50 O ATOM 1785 CB ASN A 98 12.257 -8.777 1.633 1.00 0.68 C ATOM 1786 CG ASN A 98 13.174 -8.281 0.523 1.00 1.38 C ATOM 1787 OD1 ASN A 98 12.721 -7.764 -0.500 1.00 2.32 O ATOM 1788 ND2 ASN A 98 14.473 -8.435 0.720 1.00 1.91 N ATOM 0 H ASN A 98 11.064 -9.834 -0.858 1.00 0.57 H new ATOM 0 HA ASN A 98 10.326 -9.654 1.959 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.132 -7.986 2.373 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.733 -9.616 2.141 1.00 0.68 H new ATOM 0 HD21 ASN A 98 15.137 -8.121 0.012 1.00 1.91 H new ATOM 0 HD22 ASN A 98 14.811 -8.868 1.580 1.00 1.91 H new ATOM 1795 N THR A 99 9.444 -8.174 -0.541 1.00 0.43 N ATOM 1796 CA THR A 99 8.744 -7.069 -1.182 1.00 0.39 C ATOM 1797 C THR A 99 7.407 -7.508 -1.791 1.00 0.33 C ATOM 1798 O THR A 99 7.368 -8.264 -2.767 1.00 0.37 O ATOM 1799 CB THR A 99 9.612 -6.425 -2.287 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.874 -6.010 -1.745 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.907 -5.225 -2.903 1.00 0.51 C ATOM 0 H THR A 99 9.378 -9.062 -1.038 1.00 0.43 H new ATOM 0 HA THR A 99 8.546 -6.337 -0.399 1.00 0.39 H new ATOM 0 HB THR A 99 9.776 -7.172 -3.064 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.366 -6.794 -1.424 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.539 -4.790 -3.678 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.962 -5.544 -3.342 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.715 -4.480 -2.131 1.00 0.51 H new ATOM 1809 N LEU A 100 6.322 -7.031 -1.198 1.00 0.28 N ATOM 1810 CA LEU A 100 4.981 -7.203 -1.752 1.00 0.26 C ATOM 1811 C LEU A 100 4.764 -6.113 -2.802 1.00 0.27 C ATOM 1812 O LEU A 100 5.423 -5.083 -2.751 1.00 0.34 O ATOM 1813 CB LEU A 100 3.938 -7.053 -0.633 1.00 0.28 C ATOM 1814 CG LEU A 100 2.777 -8.055 -0.616 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.876 -7.781 0.579 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.971 -7.997 -1.903 1.00 1.10 C ATOM 0 H LEU A 100 6.343 -6.513 -0.319 1.00 0.28 H new ATOM 0 HA LEU A 100 4.877 -8.191 -2.200 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.457 -7.121 0.323 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.517 -6.050 -0.696 1.00 0.28 H new ATOM 0 HG LEU A 100 3.197 -9.057 -0.533 1.00 0.45 H new ATOM 0 HD11 LEU A 100 1.053 -8.496 0.586 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.452 -7.881 1.499 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.477 -6.769 0.509 1.00 1.10 H new ATOM 0 HD21 LEU A 100 1.157 -8.720 -1.855 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.560 -6.996 -2.030 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.617 -8.233 -2.748 1.00 1.10 H new ATOM 1828 N THR A 101 3.876 -6.321 -3.757 1.00 0.29 N ATOM 1829 CA THR A 101 3.527 -5.267 -4.696 1.00 0.31 C ATOM 1830 C THR A 101 2.019 -5.180 -4.884 1.00 0.30 C ATOM 1831 O THR A 101 1.339 -6.202 -5.011 1.00 0.31 O ATOM 1832 CB THR A 101 4.207 -5.460 -6.070 1.00 0.36 C ATOM 1833 OG1 THR A 101 4.080 -6.820 -6.510 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.674 -5.082 -6.004 1.00 0.41 C ATOM 0 H THR A 101 3.385 -7.203 -3.904 1.00 0.29 H new ATOM 0 HA THR A 101 3.892 -4.335 -4.264 1.00 0.31 H new ATOM 0 HB THR A 101 3.707 -4.806 -6.784 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.527 -7.319 -5.873 1.00 0.36 H new ATOM 0 HG21 THR A 101 6.131 -5.226 -6.983 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.767 -4.036 -5.710 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.179 -5.711 -5.271 1.00 0.41 H new ATOM 1842 N GLU A 102 1.510 -3.956 -4.867 1.00 0.31 N ATOM 1843 CA GLU A 102 0.094 -3.699 -5.096 1.00 0.33 C ATOM 1844 C GLU A 102 -0.075 -2.893 -6.379 1.00 0.35 C ATOM 1845 O GLU A 102 0.233 -1.700 -6.419 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.519 -2.939 -3.910 1.00 0.39 C ATOM 1847 CG GLU A 102 -2.015 -2.679 -4.055 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.605 -1.879 -2.902 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -2.052 -1.960 -1.778 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.611 -1.166 -3.110 1.00 0.98 O ATOM 0 H GLU A 102 2.063 -3.117 -4.695 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.426 -4.652 -5.195 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.345 -3.508 -2.997 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.003 -1.986 -3.795 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.194 -2.144 -4.988 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.536 -3.633 -4.129 1.00 0.56 H new ATOM 1857 N THR A 103 -0.545 -3.547 -7.428 1.00 0.36 N ATOM 1858 CA THR A 103 -0.721 -2.898 -8.715 1.00 0.39 C ATOM 1859 C THR A 103 -2.198 -2.625 -8.962 1.00 0.39 C ATOM 1860 O THR A 103 -3.008 -3.551 -8.990 1.00 0.42 O ATOM 1861 CB THR A 103 -0.174 -3.777 -9.858 1.00 0.43 C ATOM 1862 OG1 THR A 103 1.198 -4.114 -9.605 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.284 -3.065 -11.201 1.00 0.46 C ATOM 0 H THR A 103 -0.812 -4.531 -7.412 1.00 0.36 H new ATOM 0 HA THR A 103 -0.167 -1.959 -8.696 1.00 0.39 H new ATOM 0 HB THR A 103 -0.774 -4.686 -9.899 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.537 -4.673 -10.335 1.00 0.51 H new ATOM 0 HG21 THR A 103 0.109 -3.709 -11.988 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.330 -2.837 -11.408 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.290 -2.139 -11.170 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.556 -1.359 -9.126 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.944 -1.013 -9.374 1.00 0.45 C ATOM 1873 C HIS A 104 -4.105 -0.278 -10.704 1.00 0.40 C ATOM 1874 O HIS A 104 -3.556 0.807 -10.903 1.00 0.48 O ATOM 1875 CB HIS A 104 -4.542 -0.215 -8.202 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.871 1.090 -7.858 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -4.208 2.288 -8.452 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -2.943 1.390 -6.917 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -3.523 3.265 -7.887 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -2.750 2.749 -6.953 1.00 1.69 N ATOM 0 H HIS A 104 -1.914 -0.567 -9.092 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.508 -1.943 -9.450 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -5.588 -0.010 -8.429 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.527 -0.849 -7.316 1.00 0.70 H new ATOM 0 HD1 HIS A 104 -4.881 2.402 -9.210 1.00 1.17 H new ATOM 0 HD2 HIS A 104 -2.447 0.690 -6.261 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -3.586 4.311 -8.147 1.00 1.60 H new ATOM 1889 N ILE A 105 -4.862 -0.892 -11.608 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.070 -0.355 -12.951 1.00 0.52 C ATOM 1891 C ILE A 105 -6.552 -0.078 -13.196 1.00 0.54 C ATOM 1892 O ILE A 105 -7.408 -0.915 -12.903 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.560 -1.337 -14.027 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.073 -1.630 -13.817 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -4.805 -0.782 -15.426 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -2.483 -2.550 -14.861 1.00 0.75 C ATOM 0 H ILE A 105 -5.347 -1.772 -11.433 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.507 0.576 -13.021 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.115 -2.270 -13.931 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.522 -0.689 -13.821 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -2.935 -2.076 -12.832 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -4.438 -1.491 -16.168 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -5.873 -0.624 -15.573 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.279 0.166 -15.538 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -1.426 -2.712 -14.648 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.008 -3.505 -14.843 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -2.589 -2.097 -15.847 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.838 1.112 -13.715 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.207 1.545 -14.007 1.00 0.63 C ATOM 1910 C LYS A 106 -8.949 0.578 -14.937 1.00 0.67 C ATOM 1911 O LYS A 106 -8.530 0.332 -16.064 1.00 0.70 O ATOM 1912 CB LYS A 106 -8.184 2.931 -14.652 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.744 4.063 -13.735 1.00 0.81 C ATOM 1914 CD LYS A 106 -8.816 4.411 -12.724 1.00 1.05 C ATOM 1915 CE LYS A 106 -8.632 5.817 -12.160 1.00 1.47 C ATOM 1916 NZ LYS A 106 -7.376 5.969 -11.376 1.00 1.61 N ATOM 0 H LYS A 106 -6.128 1.807 -13.947 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.740 1.568 -13.057 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.517 2.902 -15.514 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -9.182 3.156 -15.028 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -6.831 3.775 -13.214 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -7.506 4.944 -14.332 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -9.797 4.334 -13.194 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -8.795 3.687 -11.909 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -8.631 6.534 -12.981 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -9.483 6.062 -11.524 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -7.297 6.948 -11.033 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -7.392 5.318 -10.565 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -6.560 5.748 -11.981 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.055 0.036 -14.434 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.969 -0.768 -15.218 1.00 0.78 C ATOM 1932 C VAL A 107 -11.602 0.063 -16.327 1.00 0.86 C ATOM 1933 O VAL A 107 -11.777 -0.402 -17.454 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.080 -1.318 -14.310 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -13.115 -2.051 -15.119 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -11.494 -2.222 -13.247 1.00 1.11 C ATOM 0 H VAL A 107 -10.339 0.148 -13.461 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.408 -1.589 -15.665 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.568 -0.477 -13.817 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -13.892 -2.432 -14.456 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -13.559 -1.370 -15.845 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -12.645 -2.883 -15.643 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -12.294 -2.603 -12.612 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -10.979 -3.057 -13.723 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -10.786 -1.658 -12.639 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.925 1.301 -15.985 1.00 0.89 N ATOM 1947 CA ASP A 108 -12.580 2.225 -16.906 1.00 1.00 C ATOM 1948 C ASP A 108 -11.692 2.509 -18.106 1.00 0.97 C ATOM 1949 O ASP A 108 -12.172 2.633 -19.233 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.907 3.544 -16.203 1.00 1.05 C ATOM 1951 CG ASP A 108 -13.749 3.352 -14.963 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -13.173 3.223 -13.863 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -14.993 3.333 -15.077 1.00 2.50 O ATOM 0 H ASP A 108 -11.742 1.696 -15.063 1.00 0.89 H new ATOM 0 HA ASP A 108 -13.504 1.756 -17.245 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -11.978 4.046 -15.932 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -13.434 4.200 -16.897 1.00 1.05 H new ATOM 1958 N ASP A 109 -10.397 2.592 -17.850 1.00 0.91 N ATOM 1959 CA ASP A 109 -9.420 2.926 -18.869 1.00 0.92 C ATOM 1960 C ASP A 109 -8.026 2.695 -18.312 1.00 0.84 C ATOM 1961 O ASP A 109 -7.502 3.514 -17.557 1.00 0.85 O ATOM 1962 CB ASP A 109 -9.586 4.377 -19.324 1.00 1.03 C ATOM 1963 CG ASP A 109 -8.553 4.784 -20.351 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -7.812 5.755 -20.098 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -8.474 4.136 -21.415 1.00 1.94 O ATOM 0 H ASP A 109 -9.994 2.429 -16.927 1.00 0.91 H new ATOM 0 HA ASP A 109 -9.573 2.288 -19.739 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -10.583 4.511 -19.744 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -9.513 5.036 -18.459 1.00 1.03 H new ATOM 1970 N PRO A 110 -7.418 1.567 -18.687 1.00 0.80 N ATOM 1971 CA PRO A 110 -6.168 1.070 -18.090 1.00 0.78 C ATOM 1972 C PRO A 110 -4.927 1.878 -18.459 1.00 0.86 C ATOM 1973 O PRO A 110 -3.809 1.359 -18.435 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.061 -0.337 -18.662 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.749 -0.243 -19.971 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.914 0.662 -19.736 1.00 0.83 C ATOM 0 HA PRO A 110 -6.204 1.131 -17.002 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.021 -0.643 -18.778 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.538 -1.070 -18.012 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.086 0.159 -20.737 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.076 -1.224 -20.316 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -8.193 1.204 -20.639 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.796 0.110 -19.410 1.00 0.83 H new ATOM 1984 N THR A 111 -5.114 3.137 -18.804 1.00 0.93 N ATOM 1985 CA THR A 111 -3.993 4.010 -19.065 1.00 1.05 C ATOM 1986 C THR A 111 -3.391 4.477 -17.746 1.00 0.94 C ATOM 1987 O THR A 111 -2.193 4.745 -17.658 1.00 0.98 O ATOM 1988 CB THR A 111 -4.405 5.217 -19.925 1.00 1.30 C ATOM 1989 OG1 THR A 111 -5.410 5.989 -19.252 1.00 1.33 O ATOM 1990 CG2 THR A 111 -4.935 4.744 -21.271 1.00 1.47 C ATOM 0 H THR A 111 -6.029 3.574 -18.909 1.00 0.93 H new ATOM 0 HA THR A 111 -3.246 3.449 -19.627 1.00 1.05 H new ATOM 0 HB THR A 111 -3.528 5.843 -20.086 1.00 1.30 H new ATOM 0 HG1 THR A 111 -6.294 5.610 -19.440 1.00 1.33 H new ATOM 0 HG21 THR A 111 -5.224 5.606 -21.872 1.00 1.47 H new ATOM 0 HG22 THR A 111 -4.158 4.183 -21.791 1.00 1.47 H new ATOM 0 HG23 THR A 111 -5.803 4.103 -21.115 1.00 1.47 H new ATOM 1998 N ASP A 112 -4.230 4.554 -16.715 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.759 4.891 -15.384 1.00 0.86 C ATOM 2000 C ASP A 112 -3.424 3.622 -14.612 1.00 0.79 C ATOM 2001 O ASP A 112 -4.313 2.848 -14.242 1.00 1.18 O ATOM 2002 CB ASP A 112 -4.809 5.704 -14.631 1.00 1.05 C ATOM 2003 CG ASP A 112 -4.352 6.110 -13.243 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.905 5.587 -12.252 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -3.450 6.971 -13.134 1.00 1.40 O ATOM 0 H ASP A 112 -5.234 4.387 -16.780 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.858 5.497 -15.479 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -5.050 6.598 -15.205 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -5.726 5.120 -14.551 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.140 3.413 -14.394 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.650 2.249 -13.709 1.00 0.68 C ATOM 2012 C VAL A 113 -0.663 2.683 -12.632 1.00 0.60 C ATOM 2013 O VAL A 113 0.287 3.408 -12.908 1.00 0.79 O ATOM 2014 CB VAL A 113 -0.973 1.282 -14.704 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -0.299 2.054 -15.828 1.00 1.60 C ATOM 2016 CG2 VAL A 113 0.045 0.422 -13.993 1.00 1.23 C ATOM 0 H VAL A 113 -1.407 4.056 -14.693 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.485 1.724 -13.245 1.00 0.68 H new ATOM 0 HB VAL A 113 -1.744 0.641 -15.131 1.00 0.86 H new ATOM 0 HG11 VAL A 113 0.172 1.354 -16.518 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -1.044 2.644 -16.362 1.00 1.60 H new ATOM 0 HG13 VAL A 113 0.458 2.717 -15.411 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.513 -0.254 -14.708 1.00 1.23 H new ATOM 0 HG22 VAL A 113 0.807 1.058 -13.542 1.00 1.23 H new ATOM 0 HG23 VAL A 113 -0.450 -0.159 -13.215 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.893 2.263 -11.406 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.027 2.658 -10.314 1.00 0.47 C ATOM 2028 C GLU A 114 0.248 1.481 -9.395 1.00 0.44 C ATOM 2029 O GLU A 114 -0.643 0.673 -9.119 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.651 3.827 -9.559 1.00 0.64 C ATOM 2031 CG GLU A 114 0.111 4.253 -8.315 1.00 0.96 C ATOM 2032 CD GLU A 114 -0.426 5.540 -7.729 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -1.646 5.615 -7.479 1.00 2.78 O ATOM 2034 OE2 GLU A 114 0.378 6.458 -7.463 1.00 2.10 O ATOM 0 H GLU A 114 -1.666 1.653 -11.141 1.00 0.45 H new ATOM 0 HA GLU A 114 0.932 2.985 -10.716 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -0.726 4.680 -10.233 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.667 3.557 -9.272 1.00 0.64 H new ATOM 0 HG2 GLU A 114 0.052 3.463 -7.567 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.165 4.380 -8.562 1.00 0.96 H new ATOM 2041 N THR A 115 1.484 1.387 -8.936 1.00 0.45 N ATOM 2042 CA THR A 115 1.919 0.261 -8.141 1.00 0.45 C ATOM 2043 C THR A 115 2.690 0.727 -6.912 1.00 0.44 C ATOM 2044 O THR A 115 3.565 1.588 -7.003 1.00 0.51 O ATOM 2045 CB THR A 115 2.816 -0.679 -8.976 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.128 -1.077 -10.171 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.213 -1.917 -8.184 1.00 0.53 C ATOM 0 H THR A 115 2.207 2.086 -9.105 1.00 0.45 H new ATOM 0 HA THR A 115 1.028 -0.279 -7.819 1.00 0.45 H new ATOM 0 HB THR A 115 3.723 -0.132 -9.235 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.703 -1.672 -10.697 1.00 0.53 H new ATOM 0 HG21 THR A 115 3.844 -2.557 -8.801 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.763 -1.617 -7.292 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.317 -2.464 -7.891 1.00 0.53 H new ATOM 2055 N TYR A 116 2.345 0.163 -5.769 1.00 0.41 N ATOM 2056 CA TYR A 116 3.112 0.380 -4.557 1.00 0.43 C ATOM 2057 C TYR A 116 3.882 -0.890 -4.281 1.00 0.38 C ATOM 2058 O TYR A 116 3.485 -1.958 -4.753 1.00 0.39 O ATOM 2059 CB TYR A 116 2.225 0.687 -3.350 1.00 0.54 C ATOM 2060 CG TYR A 116 1.035 1.575 -3.632 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.147 2.722 -4.407 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.208 1.256 -3.105 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.048 3.522 -4.651 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.307 2.050 -3.341 1.00 0.91 C ATOM 2065 CZ TYR A 116 -1.176 3.181 -4.117 1.00 0.80 C ATOM 2066 OH TYR A 116 -2.274 3.972 -4.359 1.00 0.96 O ATOM 0 H TYR A 116 1.537 -0.450 -5.655 1.00 0.41 H new ATOM 0 HA TYR A 116 3.765 1.240 -4.706 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.865 -0.255 -2.936 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.836 1.160 -2.582 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.106 2.992 -4.824 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.315 0.369 -2.499 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.147 4.410 -5.257 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -2.267 1.788 -2.920 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.652 3.748 -5.235 1.00 0.96 H new ATOM 2076 N GLU A 117 4.955 -0.823 -3.517 1.00 0.37 N ATOM 2077 CA GLU A 117 5.743 -1.996 -3.227 1.00 0.35 C ATOM 2078 C GLU A 117 5.947 -2.055 -1.722 1.00 0.34 C ATOM 2079 O GLU A 117 6.619 -1.196 -1.153 1.00 0.44 O ATOM 2080 CB GLU A 117 7.100 -1.922 -3.938 1.00 0.44 C ATOM 2081 CG GLU A 117 7.000 -1.641 -5.430 1.00 0.92 C ATOM 2082 CD GLU A 117 8.351 -1.513 -6.096 1.00 0.83 C ATOM 2083 OE1 GLU A 117 9.012 -2.546 -6.310 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.771 -0.374 -6.399 1.00 1.18 O ATOM 0 H GLU A 117 5.298 0.036 -3.087 1.00 0.37 H new ATOM 0 HA GLU A 117 5.229 -2.890 -3.581 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.702 -1.142 -3.471 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.628 -2.864 -3.790 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.439 -2.443 -5.909 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.436 -0.721 -5.584 1.00 0.92 H new ATOM 2091 N TYR A 118 5.335 -3.030 -1.077 1.00 0.29 N ATOM 2092 CA TYR A 118 5.419 -3.162 0.365 1.00 0.29 C ATOM 2093 C TYR A 118 6.639 -3.988 0.743 1.00 0.31 C ATOM 2094 O TYR A 118 6.558 -5.205 0.895 1.00 0.41 O ATOM 2095 CB TYR A 118 4.142 -3.803 0.924 1.00 0.32 C ATOM 2096 CG TYR A 118 2.896 -2.971 0.712 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.607 -1.885 1.531 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.004 -3.274 -0.307 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.475 -1.137 1.343 1.00 0.58 C ATOM 2100 CE2 TYR A 118 0.864 -2.520 -0.499 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.623 -1.440 0.314 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.513 -0.703 0.166 1.00 0.60 O ATOM 0 H TYR A 118 4.770 -3.747 -1.533 1.00 0.29 H new ATOM 0 HA TYR A 118 5.520 -2.168 0.801 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.001 -4.777 0.456 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.273 -3.979 1.992 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.287 -1.627 2.329 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.205 -4.111 -0.959 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.255 -0.311 2.004 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.167 -2.777 -1.283 1.00 0.52 H new ATOM 0 HH TYR A 118 -1.084 -1.116 -0.515 1.00 0.60 H new ATOM 2112 N ARG A 119 7.769 -3.318 0.864 1.00 0.31 N ATOM 2113 CA ARG A 119 9.017 -3.969 1.216 1.00 0.35 C ATOM 2114 C ARG A 119 9.232 -3.898 2.720 1.00 0.35 C ATOM 2115 O ARG A 119 8.716 -3.008 3.383 1.00 0.42 O ATOM 2116 CB ARG A 119 10.176 -3.304 0.469 1.00 0.46 C ATOM 2117 CG ARG A 119 11.529 -3.938 0.738 1.00 1.14 C ATOM 2118 CD ARG A 119 12.579 -3.440 -0.239 1.00 1.30 C ATOM 2119 NE ARG A 119 13.834 -4.177 -0.114 1.00 1.83 N ATOM 2120 CZ ARG A 119 14.382 -4.886 -1.101 1.00 2.50 C ATOM 2121 NH1 ARG A 119 13.750 -5.017 -2.263 1.00 2.76 N ATOM 2122 NH2 ARG A 119 15.552 -5.483 -0.920 1.00 3.41 N ATOM 0 H ARG A 119 7.848 -2.311 0.722 1.00 0.31 H new ATOM 0 HA ARG A 119 8.974 -5.018 0.924 1.00 0.35 H new ATOM 0 HB2 ARG A 119 9.975 -3.343 -0.602 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.218 -2.251 0.748 1.00 0.46 H new ATOM 0 HG2 ARG A 119 11.842 -3.712 1.757 1.00 1.14 H new ATOM 0 HG3 ARG A 119 11.446 -5.022 0.663 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.202 -3.536 -1.257 1.00 1.30 H new ATOM 0 HD3 ARG A 119 12.762 -2.380 -0.066 1.00 1.30 H new ATOM 0 HE ARG A 119 14.320 -4.147 0.782 1.00 1.83 H new ATOM 0 HH11 ARG A 119 12.842 -4.574 -2.402 1.00 2.76 H new ATOM 0 HH12 ARG A 119 14.173 -5.560 -3.015 1.00 2.76 H new ATOM 0 HH21 ARG A 119 16.034 -5.400 -0.025 1.00 3.41 H new ATOM 0 HH22 ARG A 119 15.970 -6.025 -1.676 1.00 3.41 H new ATOM 2136 N ARG A 120 9.966 -4.846 3.266 1.00 0.36 N ATOM 2137 CA ARG A 120 10.226 -4.862 4.696 1.00 0.41 C ATOM 2138 C ARG A 120 11.678 -4.534 5.004 1.00 0.46 C ATOM 2139 O ARG A 120 12.594 -5.219 4.543 1.00 0.63 O ATOM 2140 CB ARG A 120 9.857 -6.215 5.287 1.00 0.49 C ATOM 2141 CG ARG A 120 8.370 -6.378 5.537 1.00 1.06 C ATOM 2142 CD ARG A 120 7.897 -5.469 6.660 1.00 0.97 C ATOM 2143 NE ARG A 120 8.552 -5.788 7.928 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.114 -5.384 9.118 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.034 -4.620 9.211 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.755 -5.747 10.218 1.00 1.96 N ATOM 0 H ARG A 120 10.392 -5.613 2.746 1.00 0.36 H new ATOM 0 HA ARG A 120 9.605 -4.092 5.153 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.193 -7.002 4.612 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.393 -6.351 6.226 1.00 0.49 H new ATOM 0 HG2 ARG A 120 7.818 -6.150 4.625 1.00 1.06 H new ATOM 0 HG3 ARG A 120 8.153 -7.416 5.790 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.100 -4.431 6.397 1.00 0.97 H new ATOM 0 HD3 ARG A 120 6.817 -5.564 6.774 1.00 0.97 H new ATOM 0 HE ARG A 120 9.398 -6.356 7.898 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.534 -4.339 8.368 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.703 -4.314 10.126 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.585 -6.337 10.154 1.00 1.96 H new ATOM 0 HH22 ARG A 120 8.419 -5.437 11.130 1.00 1.96 H new ATOM 2160 N ASP A 121 11.879 -3.483 5.786 1.00 0.49 N ATOM 2161 CA ASP A 121 13.212 -3.102 6.233 1.00 0.59 C ATOM 2162 C ASP A 121 13.259 -3.084 7.748 1.00 0.66 C ATOM 2163 O ASP A 121 12.792 -2.138 8.388 1.00 1.08 O ATOM 2164 CB ASP A 121 13.616 -1.736 5.676 1.00 0.67 C ATOM 2165 CG ASP A 121 15.034 -1.361 6.059 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.990 -1.967 5.525 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.203 -0.447 6.894 1.00 0.88 O ATOM 0 H ASP A 121 11.133 -2.876 6.126 1.00 0.49 H new ATOM 0 HA ASP A 121 13.922 -3.839 5.857 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.525 -1.747 4.590 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.928 -0.976 6.046 1.00 0.67 H new ATOM 2172 N GLY A 122 13.811 -4.141 8.321 1.00 0.73 N ATOM 2173 CA GLY A 122 13.841 -4.268 9.758 1.00 0.83 C ATOM 2174 C GLY A 122 12.460 -4.508 10.315 1.00 0.78 C ATOM 2175 O GLY A 122 11.864 -5.560 10.079 1.00 0.92 O ATOM 0 H GLY A 122 14.240 -4.915 7.813 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.497 -5.092 10.039 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.260 -3.363 10.197 1.00 0.83 H new ATOM 2179 N ASP A 123 11.942 -3.528 11.033 1.00 0.70 N ATOM 2180 CA ASP A 123 10.593 -3.613 11.568 1.00 0.78 C ATOM 2181 C ASP A 123 9.688 -2.584 10.889 1.00 0.64 C ATOM 2182 O ASP A 123 8.511 -2.453 11.218 1.00 0.75 O ATOM 2183 CB ASP A 123 10.618 -3.406 13.085 1.00 0.98 C ATOM 2184 CG ASP A 123 9.267 -3.636 13.734 1.00 1.67 C ATOM 2185 OD1 ASP A 123 8.696 -4.739 13.567 1.00 2.17 O ATOM 2186 OD2 ASP A 123 8.777 -2.721 14.426 1.00 2.31 O ATOM 0 H ASP A 123 12.434 -2.664 11.260 1.00 0.70 H new ATOM 0 HA ASP A 123 10.190 -4.605 11.363 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.348 -4.084 13.527 1.00 0.98 H new ATOM 0 HB3 ASP A 123 10.952 -2.392 13.303 1.00 0.98 H new ATOM 2191 N TYR A 124 10.238 -1.880 9.907 1.00 0.48 N ATOM 2192 CA TYR A 124 9.494 -0.846 9.204 1.00 0.36 C ATOM 2193 C TYR A 124 8.978 -1.365 7.875 1.00 0.33 C ATOM 2194 O TYR A 124 9.669 -2.115 7.177 1.00 0.39 O ATOM 2195 CB TYR A 124 10.371 0.384 8.955 1.00 0.32 C ATOM 2196 CG TYR A 124 10.656 1.198 10.195 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.707 0.872 11.040 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.873 2.299 10.516 1.00 0.49 C ATOM 2199 CE1 TYR A 124 11.969 1.620 12.170 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.128 3.051 11.646 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.175 2.706 12.470 1.00 0.56 C ATOM 2202 OH TYR A 124 11.432 3.456 13.593 1.00 0.67 O ATOM 0 H TYR A 124 11.196 -2.007 9.581 1.00 0.48 H new ATOM 0 HA TYR A 124 8.650 -0.563 9.834 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.317 0.061 8.520 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.883 1.022 8.218 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.330 0.020 10.810 1.00 0.46 H new ATOM 0 HD2 TYR A 124 9.051 2.572 9.871 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.793 1.355 12.816 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.510 3.905 11.882 1.00 0.58 H new ATOM 0 HH TYR A 124 10.780 4.185 13.656 1.00 0.67 H new ATOM 2212 N LEU A 125 7.764 -0.976 7.528 1.00 0.30 N ATOM 2213 CA LEU A 125 7.215 -1.276 6.225 1.00 0.30 C ATOM 2214 C LEU A 125 7.644 -0.164 5.275 1.00 0.27 C ATOM 2215 O LEU A 125 7.371 1.008 5.519 1.00 0.31 O ATOM 2216 CB LEU A 125 5.681 -1.346 6.296 1.00 0.36 C ATOM 2217 CG LEU A 125 4.986 -2.342 5.352 1.00 0.44 C ATOM 2218 CD1 LEU A 125 3.495 -2.048 5.286 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.586 -2.312 3.958 1.00 0.88 C ATOM 0 H LEU A 125 7.139 -0.448 8.137 1.00 0.30 H new ATOM 0 HA LEU A 125 7.579 -2.241 5.874 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.400 -1.595 7.319 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.286 -0.351 6.090 1.00 0.36 H new ATOM 0 HG LEU A 125 5.141 -3.342 5.757 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.013 -2.759 4.615 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.062 -2.138 6.282 1.00 1.03 H new ATOM 0 HD13 LEU A 125 3.340 -1.035 4.914 1.00 1.03 H new ATOM 0 HD21 LEU A 125 5.067 -3.030 3.323 1.00 0.88 H new ATOM 0 HD22 LEU A 125 5.480 -1.312 3.538 1.00 0.88 H new ATOM 0 HD23 LEU A 125 6.643 -2.573 4.011 1.00 0.88 H new ATOM 2231 N VAL A 126 8.304 -0.524 4.200 1.00 0.29 N ATOM 2232 CA VAL A 126 8.813 0.459 3.271 1.00 0.34 C ATOM 2233 C VAL A 126 8.059 0.369 1.960 1.00 0.36 C ATOM 2234 O VAL A 126 8.148 -0.626 1.244 1.00 0.43 O ATOM 2235 CB VAL A 126 10.321 0.294 3.009 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.803 1.339 2.011 1.00 0.46 C ATOM 2237 CG2 VAL A 126 11.103 0.392 4.309 1.00 0.47 C ATOM 0 H VAL A 126 8.502 -1.492 3.946 1.00 0.29 H new ATOM 0 HA VAL A 126 8.663 1.438 3.725 1.00 0.34 H new ATOM 0 HB VAL A 126 10.492 -0.694 2.582 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.871 1.210 1.836 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.264 1.220 1.071 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.619 2.336 2.411 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.167 0.273 4.104 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.928 1.366 4.766 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.775 -0.393 4.991 1.00 0.47 H new ATOM 2247 N MET A 127 7.309 1.405 1.664 1.00 0.38 N ATOM 2248 CA MET A 127 6.568 1.475 0.426 1.00 0.46 C ATOM 2249 C MET A 127 7.410 2.137 -0.643 1.00 0.33 C ATOM 2250 O MET A 127 8.138 3.084 -0.369 1.00 0.33 O ATOM 2251 CB MET A 127 5.269 2.254 0.622 1.00 0.65 C ATOM 2252 CG MET A 127 4.657 2.747 -0.680 1.00 0.87 C ATOM 2253 SD MET A 127 2.998 3.403 -0.466 1.00 1.08 S ATOM 2254 CE MET A 127 2.115 1.901 -0.075 1.00 0.66 C ATOM 0 H MET A 127 7.196 2.218 2.270 1.00 0.38 H new ATOM 0 HA MET A 127 6.321 0.461 0.111 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.548 1.619 1.136 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.461 3.109 1.271 1.00 0.65 H new ATOM 0 HG2 MET A 127 5.296 3.520 -1.107 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.628 1.926 -1.396 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.125 1.932 -0.529 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.665 1.044 -0.463 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.015 1.809 1.006 1.00 0.66 H new ATOM 2264 N LYS A 128 7.319 1.634 -1.855 1.00 0.33 N ATOM 2265 CA LYS A 128 7.984 2.255 -2.977 1.00 0.35 C ATOM 2266 C LYS A 128 7.029 2.339 -4.150 1.00 0.35 C ATOM 2267 O LYS A 128 6.279 1.407 -4.420 1.00 0.44 O ATOM 2268 CB LYS A 128 9.255 1.492 -3.357 1.00 0.55 C ATOM 2269 CG LYS A 128 9.930 2.029 -4.612 1.00 0.82 C ATOM 2270 CD LYS A 128 11.326 1.461 -4.783 1.00 0.99 C ATOM 2271 CE LYS A 128 12.309 2.125 -3.836 1.00 1.42 C ATOM 2272 NZ LYS A 128 13.664 1.524 -3.932 1.00 2.20 N ATOM 0 H LYS A 128 6.789 0.794 -2.088 1.00 0.33 H new ATOM 0 HA LYS A 128 8.285 3.263 -2.693 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.959 1.538 -2.527 1.00 0.55 H new ATOM 0 HB3 LYS A 128 9.008 0.441 -3.508 1.00 0.55 H new ATOM 0 HG2 LYS A 128 9.326 1.781 -5.485 1.00 0.82 H new ATOM 0 HG3 LYS A 128 9.983 3.116 -4.560 1.00 0.82 H new ATOM 0 HD2 LYS A 128 11.309 0.387 -4.599 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.656 1.603 -5.812 1.00 0.99 H new ATOM 0 HE2 LYS A 128 12.367 3.190 -4.062 1.00 1.42 H new ATOM 0 HE3 LYS A 128 11.944 2.036 -2.813 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 14.305 2.006 -3.270 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 13.613 0.513 -3.692 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 14.024 1.632 -4.902 1.00 2.20 H new ATOM 2286 N MET A 129 7.028 3.478 -4.803 1.00 0.36 N ATOM 2287 CA MET A 129 6.159 3.718 -5.939 1.00 0.41 C ATOM 2288 C MET A 129 6.878 4.631 -6.921 1.00 0.35 C ATOM 2289 O MET A 129 7.525 5.598 -6.513 1.00 0.40 O ATOM 2290 CB MET A 129 4.827 4.315 -5.455 1.00 0.49 C ATOM 2291 CG MET A 129 5.005 5.380 -4.387 1.00 1.02 C ATOM 2292 SD MET A 129 3.674 5.422 -3.170 1.00 1.11 S ATOM 2293 CE MET A 129 2.343 6.157 -4.114 1.00 0.50 C ATOM 0 H MET A 129 7.629 4.267 -4.564 1.00 0.36 H new ATOM 0 HA MET A 129 5.926 2.785 -6.452 1.00 0.41 H new ATOM 0 HB2 MET A 129 4.299 4.746 -6.305 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.199 3.516 -5.062 1.00 0.49 H new ATOM 0 HG2 MET A 129 5.950 5.210 -3.872 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.075 6.355 -4.868 1.00 1.02 H new ATOM 0 HE1 MET A 129 1.394 5.973 -3.610 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.507 7.231 -4.198 1.00 0.50 H new ATOM 0 HE3 MET A 129 2.316 5.715 -5.110 1.00 0.50 H new ATOM 2303 N SER A 130 6.804 4.305 -8.202 1.00 0.34 N ATOM 2304 CA SER A 130 7.577 5.019 -9.207 1.00 0.33 C ATOM 2305 C SER A 130 6.718 5.437 -10.396 1.00 0.33 C ATOM 2306 O SER A 130 5.872 4.672 -10.869 1.00 0.38 O ATOM 2307 CB SER A 130 8.741 4.145 -9.674 1.00 0.39 C ATOM 2308 OG SER A 130 8.315 2.809 -9.902 1.00 1.06 O ATOM 0 H SER A 130 6.219 3.554 -8.569 1.00 0.34 H new ATOM 0 HA SER A 130 7.962 5.931 -8.751 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.165 4.557 -10.590 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.532 4.155 -8.924 1.00 0.39 H new ATOM 0 HG SER A 130 9.076 2.270 -10.202 1.00 1.06 H new ATOM 2314 N TRP A 131 6.921 6.666 -10.850 1.00 0.32 N ATOM 2315 CA TRP A 131 6.237 7.175 -12.029 1.00 0.34 C ATOM 2316 C TRP A 131 7.095 8.215 -12.721 1.00 0.34 C ATOM 2317 O TRP A 131 7.615 9.121 -12.076 1.00 0.33 O ATOM 2318 CB TRP A 131 4.887 7.780 -11.646 1.00 0.36 C ATOM 2319 CG TRP A 131 3.963 7.946 -12.813 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.619 9.110 -13.425 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.277 6.906 -13.515 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.757 8.860 -14.466 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.533 7.515 -14.542 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.217 5.518 -13.373 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.743 6.784 -15.425 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.433 4.795 -14.249 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.705 5.428 -15.263 1.00 0.76 C ATOM 0 H TRP A 131 7.559 7.333 -10.415 1.00 0.32 H new ATOM 0 HA TRP A 131 6.064 6.345 -12.714 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.410 7.144 -10.900 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.051 8.751 -11.179 1.00 0.36 H new ATOM 0 HD1 TRP A 131 3.972 10.089 -13.135 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.351 9.564 -15.082 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.773 5.020 -12.593 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.181 7.271 -16.209 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.380 3.721 -14.150 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.101 4.832 -15.931 1.00 0.76 H new ATOM 2338 N LYS A 132 7.237 8.068 -14.033 1.00 0.37 N ATOM 2339 CA LYS A 132 8.061 8.960 -14.850 1.00 0.40 C ATOM 2340 C LYS A 132 9.481 9.072 -14.292 1.00 0.39 C ATOM 2341 O LYS A 132 10.090 10.143 -14.320 1.00 0.42 O ATOM 2342 CB LYS A 132 7.424 10.350 -14.961 1.00 0.44 C ATOM 2343 CG LYS A 132 6.006 10.340 -15.513 1.00 0.68 C ATOM 2344 CD LYS A 132 5.933 9.707 -16.894 1.00 1.22 C ATOM 2345 CE LYS A 132 4.510 9.717 -17.432 1.00 1.43 C ATOM 2346 NZ LYS A 132 4.403 9.040 -18.749 1.00 1.96 N ATOM 0 H LYS A 132 6.784 7.325 -14.565 1.00 0.37 H new ATOM 0 HA LYS A 132 8.120 8.525 -15.848 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.415 10.814 -13.975 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.048 10.974 -15.601 1.00 0.44 H new ATOM 0 HG2 LYS A 132 5.356 9.794 -14.830 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.630 11.362 -15.563 1.00 0.68 H new ATOM 0 HD2 LYS A 132 6.587 10.247 -17.579 1.00 1.22 H new ATOM 0 HD3 LYS A 132 6.299 8.681 -16.846 1.00 1.22 H new ATOM 0 HE2 LYS A 132 3.850 9.225 -16.718 1.00 1.43 H new ATOM 0 HE3 LYS A 132 4.166 10.747 -17.526 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 3.416 9.071 -19.076 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 5.012 9.524 -19.439 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 4.706 8.049 -18.656 1.00 1.96 H new ATOM 2360 N GLY A 133 9.995 7.960 -13.785 1.00 0.40 N ATOM 2361 CA GLY A 133 11.339 7.938 -13.238 1.00 0.42 C ATOM 2362 C GLY A 133 11.401 8.368 -11.782 1.00 0.40 C ATOM 2363 O GLY A 133 12.422 8.179 -11.121 1.00 0.53 O ATOM 0 H GLY A 133 9.503 7.068 -13.742 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.745 6.931 -13.330 1.00 0.42 H new ATOM 0 HA3 GLY A 133 11.976 8.594 -13.831 1.00 0.42 H new ATOM 2367 N VAL A 134 10.317 8.941 -11.276 1.00 0.35 N ATOM 2368 CA VAL A 134 10.290 9.415 -9.901 1.00 0.34 C ATOM 2369 C VAL A 134 9.952 8.272 -8.957 1.00 0.36 C ATOM 2370 O VAL A 134 8.806 7.820 -8.901 1.00 0.40 O ATOM 2371 CB VAL A 134 9.270 10.549 -9.680 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.538 11.245 -8.353 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.290 11.540 -10.831 1.00 0.43 C ATOM 0 H VAL A 134 9.451 9.088 -11.794 1.00 0.35 H new ATOM 0 HA VAL A 134 11.285 9.808 -9.693 1.00 0.34 H new ATOM 0 HB VAL A 134 8.273 10.111 -9.646 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.811 12.044 -8.208 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.452 10.524 -7.540 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.543 11.666 -8.359 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.560 12.328 -10.646 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.284 11.979 -10.916 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.041 11.025 -11.759 1.00 0.43 H new ATOM 2383 N SER A 135 10.953 7.792 -8.245 1.00 0.38 N ATOM 2384 CA SER A 135 10.756 6.761 -7.251 1.00 0.42 C ATOM 2385 C SER A 135 10.732 7.357 -5.856 1.00 0.40 C ATOM 2386 O SER A 135 11.626 8.111 -5.474 1.00 0.51 O ATOM 2387 CB SER A 135 11.857 5.714 -7.353 1.00 0.50 C ATOM 2388 OG SER A 135 12.890 6.141 -8.231 1.00 1.14 O ATOM 0 H SER A 135 11.919 8.105 -8.340 1.00 0.38 H new ATOM 0 HA SER A 135 9.794 6.284 -7.439 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.273 5.522 -6.364 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.437 4.774 -7.711 1.00 0.50 H new ATOM 0 HG SER A 135 13.585 5.452 -8.278 1.00 1.14 H new ATOM 2394 N THR A 136 9.704 7.025 -5.113 1.00 0.35 N ATOM 2395 CA THR A 136 9.560 7.509 -3.756 1.00 0.34 C ATOM 2396 C THR A 136 9.428 6.345 -2.786 1.00 0.31 C ATOM 2397 O THR A 136 8.734 5.364 -3.068 1.00 0.34 O ATOM 2398 CB THR A 136 8.348 8.461 -3.618 1.00 0.38 C ATOM 2399 OG1 THR A 136 8.120 8.788 -2.243 1.00 0.40 O ATOM 2400 CG2 THR A 136 7.091 7.843 -4.199 1.00 0.39 C ATOM 0 H THR A 136 8.948 6.417 -5.426 1.00 0.35 H new ATOM 0 HA THR A 136 10.459 8.074 -3.511 1.00 0.34 H new ATOM 0 HB THR A 136 8.582 9.368 -4.175 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.746 9.489 -1.965 1.00 0.40 H new ATOM 0 HG21 THR A 136 6.258 8.537 -4.086 1.00 0.39 H new ATOM 0 HG22 THR A 136 7.245 7.631 -5.257 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.864 6.916 -3.672 1.00 0.39 H new ATOM 2408 N SER A 137 10.130 6.438 -1.666 1.00 0.33 N ATOM 2409 CA SER A 137 10.017 5.448 -0.616 1.00 0.32 C ATOM 2410 C SER A 137 9.269 6.041 0.571 1.00 0.31 C ATOM 2411 O SER A 137 9.765 6.943 1.248 1.00 0.40 O ATOM 2412 CB SER A 137 11.402 4.960 -0.182 1.00 0.39 C ATOM 2413 OG SER A 137 12.163 4.528 -1.298 1.00 0.79 O ATOM 0 H SER A 137 10.785 7.194 -1.465 1.00 0.33 H new ATOM 0 HA SER A 137 9.460 4.593 -0.998 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.929 5.763 0.333 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.296 4.141 0.529 1.00 0.39 H new ATOM 0 HG SER A 137 13.044 4.223 -0.995 1.00 0.79 H new ATOM 2419 N ARG A 138 8.066 5.551 0.801 1.00 0.35 N ATOM 2420 CA ARG A 138 7.256 6.019 1.906 1.00 0.44 C ATOM 2421 C ARG A 138 7.422 5.069 3.081 1.00 0.39 C ATOM 2422 O ARG A 138 7.141 3.874 2.971 1.00 0.43 O ATOM 2423 CB ARG A 138 5.791 6.120 1.486 1.00 0.63 C ATOM 2424 CG ARG A 138 5.125 7.414 1.918 1.00 1.08 C ATOM 2425 CD ARG A 138 3.704 7.505 1.400 1.00 0.88 C ATOM 2426 NE ARG A 138 3.095 8.807 1.680 1.00 0.82 N ATOM 2427 CZ ARG A 138 1.781 9.002 1.781 1.00 1.07 C ATOM 2428 NH1 ARG A 138 0.952 7.971 1.716 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.302 10.226 1.986 1.00 1.63 N ATOM 0 H ARG A 138 7.628 4.826 0.234 1.00 0.35 H new ATOM 0 HA ARG A 138 7.584 7.014 2.205 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.725 6.031 0.402 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.241 5.279 1.909 1.00 0.63 H new ATOM 0 HG2 ARG A 138 5.122 7.478 3.006 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.703 8.262 1.551 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.699 7.327 0.325 1.00 0.88 H new ATOM 0 HD3 ARG A 138 3.102 6.719 1.856 1.00 0.88 H new ATOM 0 HE ARG A 138 3.712 9.610 1.805 1.00 0.82 H new ATOM 0 HH11 ARG A 138 1.320 7.028 1.589 1.00 1.84 H new ATOM 0 HH12 ARG A 138 -0.054 8.120 1.793 1.00 1.84 H new ATOM 0 HH21 ARG A 138 1.941 11.017 2.066 1.00 1.63 H new ATOM 0 HH22 ARG A 138 0.296 10.374 2.063 1.00 1.63 H new ATOM 2443 N TYR A 139 7.890 5.598 4.197 1.00 0.39 N ATOM 2444 CA TYR A 139 8.254 4.771 5.334 1.00 0.36 C ATOM 2445 C TYR A 139 7.094 4.640 6.308 1.00 0.34 C ATOM 2446 O TYR A 139 6.701 5.606 6.966 1.00 0.39 O ATOM 2447 CB TYR A 139 9.479 5.353 6.037 1.00 0.42 C ATOM 2448 CG TYR A 139 10.695 5.449 5.140 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.979 6.616 4.446 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.562 4.374 4.996 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.091 6.709 3.632 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.676 4.459 4.185 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.922 5.617 3.485 1.00 0.56 C ATOM 2454 OH TYR A 139 14.046 5.717 2.695 1.00 0.64 O ATOM 0 H TYR A 139 8.027 6.598 4.341 1.00 0.39 H new ATOM 0 HA TYR A 139 8.498 3.774 4.967 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.235 6.346 6.414 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.721 4.734 6.901 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.320 7.466 4.544 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.361 3.456 5.528 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.309 7.631 3.114 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.351 3.620 4.101 1.00 0.56 H new ATOM 0 HH TYR A 139 14.524 4.862 2.697 1.00 0.64 H new ATOM 2464 N TYR A 140 6.546 3.441 6.382 1.00 0.29 N ATOM 2465 CA TYR A 140 5.446 3.153 7.281 1.00 0.27 C ATOM 2466 C TYR A 140 5.940 2.376 8.490 1.00 0.29 C ATOM 2467 O TYR A 140 6.506 1.294 8.358 1.00 0.37 O ATOM 2468 CB TYR A 140 4.357 2.361 6.552 1.00 0.27 C ATOM 2469 CG TYR A 140 3.637 3.155 5.488 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.499 3.897 5.786 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.097 3.159 4.180 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.841 4.616 4.804 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.448 3.875 3.198 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.300 4.633 3.550 1.00 0.48 C ATOM 2475 OH TYR A 140 1.666 5.303 2.523 1.00 0.60 O ATOM 0 H TYR A 140 6.850 2.644 5.823 1.00 0.29 H new ATOM 0 HA TYR A 140 5.022 4.097 7.623 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.806 1.480 6.094 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.630 2.005 7.281 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.124 3.912 6.799 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.980 2.591 3.926 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.948 5.169 5.054 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.806 3.860 2.179 1.00 0.52 H new ATOM 0 HH TYR A 140 0.754 5.534 2.797 1.00 0.60 H new ATOM 2485 N LYS A 141 5.721 2.927 9.663 1.00 0.37 N ATOM 2486 CA LYS A 141 6.124 2.296 10.888 1.00 0.48 C ATOM 2487 C LYS A 141 4.888 1.667 11.503 1.00 0.45 C ATOM 2488 O LYS A 141 3.795 2.103 11.206 1.00 0.54 O ATOM 2489 CB LYS A 141 6.764 3.360 11.786 1.00 0.69 C ATOM 2490 CG LYS A 141 7.223 2.865 13.142 1.00 0.72 C ATOM 2491 CD LYS A 141 6.109 2.947 14.158 1.00 0.97 C ATOM 2492 CE LYS A 141 5.764 4.386 14.486 1.00 1.45 C ATOM 2493 NZ LYS A 141 6.848 5.065 15.243 1.00 1.92 N ATOM 0 H LYS A 141 5.257 3.827 9.789 1.00 0.37 H new ATOM 0 HA LYS A 141 6.864 1.510 10.737 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.620 3.787 11.264 1.00 0.69 H new ATOM 0 HB3 LYS A 141 6.046 4.167 11.935 1.00 0.69 H new ATOM 0 HG2 LYS A 141 7.568 1.834 13.058 1.00 0.72 H new ATOM 0 HG3 LYS A 141 8.072 3.459 13.481 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.225 2.438 13.773 1.00 0.97 H new ATOM 0 HD3 LYS A 141 6.406 2.426 15.068 1.00 0.97 H new ATOM 0 HE2 LYS A 141 5.572 4.931 13.562 1.00 1.45 H new ATOM 0 HE3 LYS A 141 4.844 4.413 15.069 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 6.438 5.586 16.044 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 7.520 4.355 15.599 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 7.346 5.729 14.616 1.00 1.92 H new ATOM 2507 N LYS A 142 5.045 0.617 12.289 1.00 0.44 N ATOM 2508 CA LYS A 142 3.907 -0.052 12.933 1.00 0.43 C ATOM 2509 C LYS A 142 2.990 0.943 13.682 1.00 0.36 C ATOM 2510 O LYS A 142 3.283 2.130 13.797 1.00 0.34 O ATOM 2511 CB LYS A 142 4.447 -1.119 13.893 1.00 0.54 C ATOM 2512 CG LYS A 142 3.421 -2.133 14.370 1.00 0.87 C ATOM 2513 CD LYS A 142 4.090 -3.252 15.154 1.00 1.30 C ATOM 2514 CE LYS A 142 3.082 -4.264 15.667 1.00 1.43 C ATOM 2515 NZ LYS A 142 3.740 -5.378 16.400 1.00 2.13 N ATOM 0 H LYS A 142 5.951 0.200 12.503 1.00 0.44 H new ATOM 0 HA LYS A 142 3.293 -0.515 12.161 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.260 -1.652 13.400 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.874 -0.620 14.763 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.678 -1.638 14.996 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.890 -2.550 13.514 1.00 0.87 H new ATOM 0 HD2 LYS A 142 4.819 -3.755 14.518 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.639 -2.828 15.995 1.00 1.30 H new ATOM 0 HE2 LYS A 142 2.370 -3.766 16.326 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.513 -4.667 14.829 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 3.018 -6.048 16.734 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 4.400 -5.869 15.764 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 4.262 -4.997 17.215 1.00 2.13 H new ATOM 2529 N GLN A 143 1.804 0.494 14.052 1.00 0.44 N ATOM 2530 CA GLN A 143 1.015 1.189 15.058 1.00 0.53 C ATOM 2531 C GLN A 143 1.579 0.938 16.447 1.00 0.68 C ATOM 2532 O GLN A 143 1.366 -0.168 16.983 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.442 0.736 15.006 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.249 1.368 13.895 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.618 2.806 14.185 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -1.755 3.589 13.137 1.00 1.34 O flip ATOM 2537 NE2 GLN A 143 -1.775 3.204 15.340 1.00 1.28 N flip ATOM 2538 OXT GLN A 143 2.220 1.853 17.006 1.00 1.19 O ATOM 0 H GLN A 143 1.366 -0.346 13.674 1.00 0.44 H new ATOM 0 HA GLN A 143 1.062 2.257 14.844 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.470 -0.347 14.889 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -0.916 0.966 15.960 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.679 1.324 12.967 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.159 0.789 13.738 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.658 2.559 16.122 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -2.022 4.178 15.515 1.00 1.28 H new