USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1029 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 131 HIS : no HE2:sc= -1.08 K(o=-8.4,f=-14!) USER MOD Set 1.2: A 142 CYS SG : rot 2:sc= 0.949 USER MOD Set 1.3: A 143 CYS SG : rot 150:sc= -0.116 USER MOD Set 1.4: A 145 GLN :FLIP amide:sc= 0.384 F(o=-15,f=-8.4) USER MOD Set 1.5: A 153 CYS SG : rot -139:sc= -8.56! USER MOD Set 2.1: A 67 SER OG : rot -50:sc= 0.196 USER MOD Set 2.2: A 123 ASN : amide:sc= -2.67! X(o=-2.5!,f=-2) USER MOD Set 3.1: A 105 SER OG : rot -160:sc= 0.843 USER MOD Set 3.2: A 108 SER OG : rot 78:sc= 0.508 USER MOD Set 4.1: A 94 HIS : no HD1:sc= -0.495 K(o=-0.52,f=-1.1) USER MOD Set 4.2: A 97 ASN : amide:sc= -0.0293 K(o=-0.52,f=-4.4!) USER MOD Set 5.1: A 71 CYS SG : rot -108:sc= -1.83! USER MOD Set 5.2: A 127 MET CE :methyl 167:sc= -2.09! (180deg=-2.46) USER MOD Set 6.1: A 35 ASN : amide:sc= 0 X(o=-0.00015,f=-0.13) USER MOD Set 6.2: A 37 LYS NZ :NH3+ 164:sc=-0.000148 (180deg=-0.0439) USER MOD Single : A 15 THR OG1 : rot -148:sc= 0.0971 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -107:sc= 1.27 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -41:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0.561 (180deg=0.545) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -164:sc= -0.0689 (180deg=-0.42) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= 0.865 (180deg=0.21) USER MOD Single : A 76 LYS NZ :NH3+ -106:sc= 0.876 (180deg=-0.0302) USER MOD Single : A 84 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.585 F(o=-1.1,f=-0.59) USER MOD Single : A 86 ASN : amide:sc= -0.606 K(o=-0.61,f=-4.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0.271 X(o=0.27,f=-0.012) USER MOD Single : A 98 THR OG1 : rot 107:sc= 0.616 USER MOD Single : A 100 TYR OH : rot -33:sc= 1.3 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= -0.0234 (180deg=-0.162) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 178:sc= 1.33 (180deg=1.33) USER MOD Single : A 121 LYS NZ :NH3+ 158:sc= 1.32 (180deg=0.774) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 125 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.5!) USER MOD Single : A 129 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00405) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 175:sc= 0.579 (180deg=0.563) USER MOD Single : A 136 THR OG1 : rot 72:sc= 0.066 USER MOD Single : A 139 SER OG : rot 47:sc= 0.393 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 GLN : amide:sc= -1.5 K(o=-1.5,f=-11!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0.235 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ -168:sc= -0.0417 (180deg=-0.194) USER MOD Single : A 156 TYR OH : rot 22:sc= -0.334 USER MOD Single : A 157 ASN : amide:sc= 0.0538 K(o=0.054,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 229 N THR A 15 -9.767 -1.403 14.875 1.00 30.13 N ATOM 230 CA THR A 15 -9.609 -1.550 13.431 1.00 62.40 C ATOM 231 C THR A 15 -10.425 -0.471 12.691 1.00 51.25 C ATOM 232 O THR A 15 -11.632 -0.311 12.906 1.00 54.33 O ATOM 233 CB THR A 15 -10.013 -2.986 12.934 1.00 34.22 C ATOM 234 OG1 THR A 15 -9.874 -3.083 11.497 1.00 1.13 O ATOM 235 CG2 THR A 15 -11.447 -3.366 13.344 1.00 54.32 C ATOM 0 HA THR A 15 -8.552 -1.417 13.203 1.00 62.40 H new ATOM 0 HB THR A 15 -9.334 -3.689 13.416 1.00 34.22 H new ATOM 0 HG1 THR A 15 -10.544 -3.706 11.145 1.00 1.13 H new ATOM 0 HG21 THR A 15 -11.677 -4.366 12.977 1.00 54.32 H new ATOM 0 HG22 THR A 15 -11.531 -3.350 14.431 1.00 54.32 H new ATOM 0 HG23 THR A 15 -12.150 -2.651 12.915 1.00 54.32 H new ATOM 243 N ILE A 16 -9.719 0.299 11.880 1.00 33.22 N ATOM 244 CA ILE A 16 -10.299 1.279 10.964 1.00 52.13 C ATOM 245 C ILE A 16 -10.989 0.545 9.803 1.00 44.32 C ATOM 246 O ILE A 16 -12.058 0.953 9.336 1.00 71.54 O ATOM 247 CB ILE A 16 -9.178 2.221 10.386 1.00 0.32 C ATOM 248 CG1 ILE A 16 -8.298 2.812 11.530 1.00 40.34 C ATOM 249 CG2 ILE A 16 -9.786 3.352 9.520 1.00 55.34 C ATOM 250 CD1 ILE A 16 -7.118 3.624 11.041 1.00 15.24 C ATOM 0 H ILE A 16 -8.701 0.262 11.836 1.00 33.22 H new ATOM 0 HA ILE A 16 -11.024 1.883 11.509 1.00 52.13 H new ATOM 0 HB ILE A 16 -8.538 1.616 9.744 1.00 0.32 H new ATOM 0 HG12 ILE A 16 -8.921 3.441 12.166 1.00 40.34 H new ATOM 0 HG13 ILE A 16 -7.931 1.995 12.152 1.00 40.34 H new ATOM 0 HG21 ILE A 16 -8.987 3.985 9.135 1.00 55.34 H new ATOM 0 HG22 ILE A 16 -10.336 2.916 8.686 1.00 55.34 H new ATOM 0 HG23 ILE A 16 -10.463 3.952 10.128 1.00 55.34 H new ATOM 0 HD11 ILE A 16 -6.556 4.000 11.896 1.00 15.24 H new ATOM 0 HD12 ILE A 16 -6.471 2.994 10.430 1.00 15.24 H new ATOM 0 HD13 ILE A 16 -7.476 4.463 10.444 1.00 15.24 H new ATOM 262 N LEU A 17 -10.366 -0.569 9.378 1.00 1.33 N ATOM 263 CA LEU A 17 -10.716 -1.259 8.133 1.00 54.01 C ATOM 264 C LEU A 17 -9.950 -2.590 8.037 1.00 52.22 C ATOM 265 O LEU A 17 -8.747 -2.620 8.294 1.00 34.13 O ATOM 266 CB LEU A 17 -10.341 -0.333 6.934 1.00 64.44 C ATOM 267 CG LEU A 17 -10.710 -0.825 5.508 1.00 1.10 C ATOM 268 CD1 LEU A 17 -12.217 -1.110 5.381 1.00 72.55 C ATOM 269 CD2 LEU A 17 -10.238 0.199 4.451 1.00 4.22 C ATOM 0 H LEU A 17 -9.605 -1.013 9.892 1.00 1.33 H new ATOM 0 HA LEU A 17 -11.784 -1.477 8.113 1.00 54.01 H new ATOM 0 HB2 LEU A 17 -10.821 0.633 7.092 1.00 64.44 H new ATOM 0 HB3 LEU A 17 -9.265 -0.163 6.964 1.00 64.44 H new ATOM 0 HG LEU A 17 -10.192 -1.767 5.328 1.00 1.10 H new ATOM 0 HD11 LEU A 17 -12.439 -1.452 4.370 1.00 72.55 H new ATOM 0 HD12 LEU A 17 -12.503 -1.881 6.096 1.00 72.55 H new ATOM 0 HD13 LEU A 17 -12.778 -0.199 5.587 1.00 72.55 H new ATOM 0 HD21 LEU A 17 -10.503 -0.157 3.455 1.00 4.22 H new ATOM 0 HD22 LEU A 17 -10.721 1.159 4.633 1.00 4.22 H new ATOM 0 HD23 LEU A 17 -9.157 0.319 4.518 1.00 4.22 H new ATOM 281 N GLU A 18 -10.649 -3.686 7.674 1.00 3.02 N ATOM 282 CA GLU A 18 -10.003 -4.981 7.355 1.00 73.03 C ATOM 283 C GLU A 18 -10.633 -5.601 6.094 1.00 52.25 C ATOM 284 O GLU A 18 -11.855 -5.554 5.907 1.00 72.12 O ATOM 285 CB GLU A 18 -10.043 -5.977 8.554 1.00 72.52 C ATOM 286 CG GLU A 18 -11.420 -6.544 8.959 1.00 50.21 C ATOM 287 CD GLU A 18 -12.382 -5.478 9.492 1.00 4.15 C ATOM 288 OE1 GLU A 18 -12.234 -5.069 10.657 1.00 31.24 O ATOM 289 OE2 GLU A 18 -13.275 -5.028 8.745 1.00 70.42 O ATOM 0 H GLU A 18 -11.666 -3.701 7.594 1.00 3.02 H new ATOM 0 HA GLU A 18 -8.951 -4.779 7.155 1.00 73.03 H new ATOM 0 HB2 GLU A 18 -9.389 -6.816 8.317 1.00 72.52 H new ATOM 0 HB3 GLU A 18 -9.616 -5.476 9.423 1.00 72.52 H new ATOM 0 HG2 GLU A 18 -11.872 -7.032 8.096 1.00 50.21 H new ATOM 0 HG3 GLU A 18 -11.280 -7.310 9.721 1.00 50.21 H new ATOM 296 N GLU A 19 -9.782 -6.194 5.244 1.00 42.03 N ATOM 297 CA GLU A 19 -10.167 -6.704 3.914 1.00 2.55 C ATOM 298 C GLU A 19 -9.170 -7.769 3.457 1.00 33.41 C ATOM 299 O GLU A 19 -8.006 -7.760 3.882 1.00 34.14 O ATOM 300 CB GLU A 19 -10.195 -5.521 2.904 1.00 13.31 C ATOM 301 CG GLU A 19 -10.487 -5.856 1.423 1.00 20.21 C ATOM 302 CD GLU A 19 -11.939 -6.290 1.150 1.00 50.24 C ATOM 303 OE1 GLU A 19 -12.286 -7.464 1.416 1.00 33.43 O ATOM 304 OE2 GLU A 19 -12.737 -5.454 0.669 1.00 75.54 O ATOM 0 H GLU A 19 -8.795 -6.336 5.460 1.00 42.03 H new ATOM 0 HA GLU A 19 -11.157 -7.157 3.966 1.00 2.55 H new ATOM 0 HB2 GLU A 19 -10.946 -4.807 3.242 1.00 13.31 H new ATOM 0 HB3 GLU A 19 -9.231 -5.015 2.951 1.00 13.31 H new ATOM 0 HG2 GLU A 19 -10.260 -4.982 0.813 1.00 20.21 H new ATOM 0 HG3 GLU A 19 -9.815 -6.652 1.103 1.00 20.21 H new ATOM 311 N ILE A 20 -9.631 -8.677 2.585 1.00 24.31 N ATOM 312 CA ILE A 20 -8.784 -9.695 1.969 1.00 54.20 C ATOM 313 C ILE A 20 -8.019 -9.061 0.778 1.00 13.21 C ATOM 314 O ILE A 20 -8.548 -8.928 -0.338 1.00 44.34 O ATOM 315 CB ILE A 20 -9.633 -10.947 1.521 1.00 71.34 C ATOM 316 CG1 ILE A 20 -10.420 -11.561 2.732 1.00 43.31 C ATOM 317 CG2 ILE A 20 -8.742 -12.019 0.855 1.00 21.10 C ATOM 318 CD1 ILE A 20 -9.545 -12.081 3.869 1.00 30.13 C ATOM 0 H ILE A 20 -10.606 -8.722 2.289 1.00 24.31 H new ATOM 0 HA ILE A 20 -8.060 -10.057 2.699 1.00 54.20 H new ATOM 0 HB ILE A 20 -10.358 -10.603 0.783 1.00 71.34 H new ATOM 0 HG12 ILE A 20 -11.095 -10.803 3.130 1.00 43.31 H new ATOM 0 HG13 ILE A 20 -11.040 -12.380 2.366 1.00 43.31 H new ATOM 0 HG21 ILE A 20 -9.356 -12.869 0.557 1.00 21.10 H new ATOM 0 HG22 ILE A 20 -8.259 -11.595 -0.025 1.00 21.10 H new ATOM 0 HG23 ILE A 20 -7.982 -12.351 1.562 1.00 21.10 H new ATOM 0 HD11 ILE A 20 -10.178 -12.486 4.659 1.00 30.13 H new ATOM 0 HD12 ILE A 20 -8.888 -12.865 3.493 1.00 30.13 H new ATOM 0 HD13 ILE A 20 -8.944 -11.264 4.268 1.00 30.13 H new ATOM 330 N LEU A 21 -6.791 -8.608 1.062 1.00 24.41 N ATOM 331 CA LEU A 21 -5.901 -7.961 0.085 1.00 0.34 C ATOM 332 C LEU A 21 -4.763 -8.915 -0.298 1.00 21.33 C ATOM 333 O LEU A 21 -4.359 -9.755 0.507 1.00 62.15 O ATOM 334 CB LEU A 21 -5.295 -6.670 0.690 1.00 12.00 C ATOM 335 CG LEU A 21 -6.288 -5.567 1.166 1.00 4.11 C ATOM 336 CD1 LEU A 21 -5.536 -4.431 1.896 1.00 63.35 C ATOM 337 CD2 LEU A 21 -7.118 -5.009 -0.008 1.00 31.41 C ATOM 0 H LEU A 21 -6.380 -8.681 1.993 1.00 24.41 H new ATOM 0 HA LEU A 21 -6.483 -7.709 -0.802 1.00 0.34 H new ATOM 0 HB2 LEU A 21 -4.675 -6.955 1.540 1.00 12.00 H new ATOM 0 HB3 LEU A 21 -4.632 -6.228 -0.054 1.00 12.00 H new ATOM 0 HG LEU A 21 -6.981 -6.028 1.870 1.00 4.11 H new ATOM 0 HD11 LEU A 21 -6.248 -3.672 2.219 1.00 63.35 H new ATOM 0 HD12 LEU A 21 -5.019 -4.837 2.765 1.00 63.35 H new ATOM 0 HD13 LEU A 21 -4.810 -3.982 1.219 1.00 63.35 H new ATOM 0 HD21 LEU A 21 -7.800 -4.242 0.360 1.00 31.41 H new ATOM 0 HD22 LEU A 21 -6.450 -4.574 -0.751 1.00 31.41 H new ATOM 0 HD23 LEU A 21 -7.692 -5.816 -0.464 1.00 31.41 H new ATOM 349 N ILE A 22 -4.219 -8.748 -1.507 1.00 73.13 N ATOM 350 CA ILE A 22 -3.085 -9.552 -1.992 1.00 74.04 C ATOM 351 C ILE A 22 -1.770 -8.791 -1.785 1.00 72.24 C ATOM 352 O ILE A 22 -1.627 -7.665 -2.246 1.00 32.02 O ATOM 353 CB ILE A 22 -3.262 -9.933 -3.515 1.00 62.33 C ATOM 354 CG1 ILE A 22 -4.445 -10.936 -3.681 1.00 54.42 C ATOM 355 CG2 ILE A 22 -1.951 -10.499 -4.128 1.00 51.43 C ATOM 356 CD1 ILE A 22 -4.699 -11.398 -5.099 1.00 50.33 C ATOM 0 H ILE A 22 -4.549 -8.054 -2.178 1.00 73.13 H new ATOM 0 HA ILE A 22 -3.057 -10.477 -1.415 1.00 74.04 H new ATOM 0 HB ILE A 22 -3.497 -9.022 -4.066 1.00 62.33 H new ATOM 0 HG12 ILE A 22 -4.250 -11.810 -3.060 1.00 54.42 H new ATOM 0 HG13 ILE A 22 -5.353 -10.470 -3.299 1.00 54.42 H new ATOM 0 HG21 ILE A 22 -2.117 -10.748 -5.176 1.00 51.43 H new ATOM 0 HG22 ILE A 22 -1.162 -9.751 -4.054 1.00 51.43 H new ATOM 0 HG23 ILE A 22 -1.653 -11.396 -3.585 1.00 51.43 H new ATOM 0 HD11 ILE A 22 -5.540 -12.092 -5.111 1.00 50.33 H new ATOM 0 HD12 ILE A 22 -4.930 -10.537 -5.726 1.00 50.33 H new ATOM 0 HD13 ILE A 22 -3.810 -11.898 -5.483 1.00 50.33 H new ATOM 368 N LYS A 23 -0.819 -9.416 -1.082 1.00 73.20 N ATOM 369 CA LYS A 23 0.549 -8.909 -0.961 1.00 73.02 C ATOM 370 C LYS A 23 1.414 -9.534 -2.071 1.00 44.50 C ATOM 371 O LYS A 23 1.374 -10.758 -2.274 1.00 32.32 O ATOM 372 CB LYS A 23 1.125 -9.250 0.439 1.00 13.34 C ATOM 373 CG LYS A 23 2.504 -8.610 0.731 1.00 11.40 C ATOM 374 CD LYS A 23 3.018 -8.886 2.170 1.00 15.30 C ATOM 375 CE LYS A 23 3.267 -10.382 2.435 1.00 51.33 C ATOM 376 NZ LYS A 23 3.731 -10.635 3.828 1.00 33.22 N ATOM 0 H LYS A 23 -0.979 -10.290 -0.580 1.00 73.20 H new ATOM 0 HA LYS A 23 0.551 -7.825 -1.071 1.00 73.02 H new ATOM 0 HB2 LYS A 23 0.417 -8.923 1.200 1.00 13.34 H new ATOM 0 HB3 LYS A 23 1.213 -10.333 0.529 1.00 13.34 H new ATOM 0 HG2 LYS A 23 3.232 -8.989 0.014 1.00 11.40 H new ATOM 0 HG3 LYS A 23 2.437 -7.533 0.577 1.00 11.40 H new ATOM 0 HD2 LYS A 23 3.943 -8.333 2.333 1.00 15.30 H new ATOM 0 HD3 LYS A 23 2.291 -8.510 2.890 1.00 15.30 H new ATOM 0 HE2 LYS A 23 2.349 -10.940 2.252 1.00 51.33 H new ATOM 0 HE3 LYS A 23 4.012 -10.755 1.732 1.00 51.33 H new ATOM 0 HZ1 LYS A 23 3.886 -11.655 3.962 1.00 33.22 H new ATOM 0 HZ2 LYS A 23 4.621 -10.124 3.996 1.00 33.22 H new ATOM 0 HZ3 LYS A 23 3.010 -10.303 4.500 1.00 33.22 H new ATOM 390 N ARG A 24 2.168 -8.692 -2.790 1.00 12.41 N ATOM 391 CA ARG A 24 3.129 -9.141 -3.805 1.00 41.02 C ATOM 392 C ARG A 24 4.450 -9.501 -3.100 1.00 74.25 C ATOM 393 O ARG A 24 4.795 -8.883 -2.076 1.00 11.33 O ATOM 394 CB ARG A 24 3.373 -8.015 -4.848 1.00 15.14 C ATOM 395 CG ARG A 24 4.162 -8.459 -6.106 1.00 13.41 C ATOM 396 CD ARG A 24 4.673 -7.270 -6.949 1.00 72.12 C ATOM 397 NE ARG A 24 5.773 -6.554 -6.263 1.00 23.04 N ATOM 398 CZ ARG A 24 6.883 -6.063 -6.852 1.00 31.41 C ATOM 399 NH1 ARG A 24 7.084 -6.175 -8.164 1.00 2.35 N ATOM 400 NH2 ARG A 24 7.802 -5.471 -6.106 1.00 63.31 N ATOM 0 H ARG A 24 2.128 -7.678 -2.684 1.00 12.41 H new ATOM 0 HA ARG A 24 2.735 -10.012 -4.328 1.00 41.02 H new ATOM 0 HB2 ARG A 24 2.409 -7.614 -5.163 1.00 15.14 H new ATOM 0 HB3 ARG A 24 3.914 -7.201 -4.365 1.00 15.14 H new ATOM 0 HG2 ARG A 24 5.010 -9.071 -5.799 1.00 13.41 H new ATOM 0 HG3 ARG A 24 3.523 -9.088 -6.725 1.00 13.41 H new ATOM 0 HD2 ARG A 24 5.020 -7.631 -7.917 1.00 72.12 H new ATOM 0 HD3 ARG A 24 3.852 -6.579 -7.142 1.00 72.12 H new ATOM 0 HE ARG A 24 5.683 -6.420 -5.256 1.00 23.04 H new ATOM 0 HH11 ARG A 24 6.390 -6.641 -8.748 1.00 2.35 H new ATOM 0 HH12 ARG A 24 7.932 -5.795 -8.584 1.00 2.35 H new ATOM 0 HH21 ARG A 24 7.666 -5.390 -5.098 1.00 63.31 H new ATOM 0 HH22 ARG A 24 8.646 -5.095 -6.539 1.00 63.31 H new ATOM 414 N SER A 25 5.190 -10.472 -3.652 1.00 13.25 N ATOM 415 CA SER A 25 6.441 -10.946 -3.058 1.00 21.13 C ATOM 416 C SER A 25 7.556 -9.915 -3.283 1.00 41.42 C ATOM 417 O SER A 25 7.809 -9.493 -4.428 1.00 44.23 O ATOM 418 CB SER A 25 6.851 -12.309 -3.663 1.00 71.31 C ATOM 419 OG SER A 25 7.056 -12.220 -5.070 1.00 30.11 O ATOM 0 H SER A 25 4.937 -10.947 -4.519 1.00 13.25 H new ATOM 0 HA SER A 25 6.286 -11.076 -1.987 1.00 21.13 H new ATOM 0 HB2 SER A 25 7.765 -12.660 -3.183 1.00 71.31 H new ATOM 0 HB3 SER A 25 6.077 -13.048 -3.454 1.00 71.31 H new ATOM 0 HG SER A 25 6.315 -12.659 -5.537 1.00 30.11 H new ATOM 583 N ASN A 35 5.253 -13.705 -6.712 1.00 43.23 N ATOM 584 CA ASN A 35 4.273 -14.496 -5.962 1.00 52.13 C ATOM 585 C ASN A 35 3.234 -13.549 -5.346 1.00 50.03 C ATOM 586 O ASN A 35 3.581 -12.576 -4.673 1.00 52.12 O ATOM 587 CB ASN A 35 4.998 -15.318 -4.854 1.00 52.42 C ATOM 588 CG ASN A 35 4.080 -16.145 -3.942 1.00 64.14 C ATOM 589 OD1 ASN A 35 2.996 -16.576 -4.330 1.00 53.44 O ATOM 590 ND2 ASN A 35 4.530 -16.403 -2.724 1.00 75.22 N ATOM 0 HA ASN A 35 3.766 -15.194 -6.628 1.00 52.13 H new ATOM 0 HB2 ASN A 35 5.710 -15.991 -5.332 1.00 52.42 H new ATOM 0 HB3 ASN A 35 5.575 -14.631 -4.234 1.00 52.42 H new ATOM 0 HD21 ASN A 35 3.974 -16.971 -2.085 1.00 75.22 H new ATOM 0 HD22 ASN A 35 5.433 -16.034 -2.425 1.00 75.22 H new ATOM 597 N TYR A 36 1.962 -13.844 -5.605 1.00 43.45 N ATOM 598 CA TYR A 36 0.826 -13.097 -5.071 1.00 42.55 C ATOM 599 C TYR A 36 0.220 -13.920 -3.949 1.00 71.30 C ATOM 600 O TYR A 36 0.065 -15.138 -4.093 1.00 54.00 O ATOM 601 CB TYR A 36 -0.182 -12.811 -6.215 1.00 21.35 C ATOM 602 CG TYR A 36 0.427 -11.896 -7.287 1.00 20.32 C ATOM 603 CD1 TYR A 36 0.589 -10.529 -7.053 1.00 73.04 C ATOM 604 CD2 TYR A 36 0.896 -12.398 -8.501 1.00 4.50 C ATOM 605 CE1 TYR A 36 1.186 -9.712 -7.987 1.00 1.42 C ATOM 606 CE2 TYR A 36 1.507 -11.577 -9.429 1.00 24.22 C ATOM 607 CZ TYR A 36 1.643 -10.235 -9.169 1.00 2.25 C ATOM 608 OH TYR A 36 2.254 -9.412 -10.090 1.00 61.14 O ATOM 0 H TYR A 36 1.687 -14.623 -6.203 1.00 43.45 H new ATOM 0 HA TYR A 36 1.128 -12.131 -4.667 1.00 42.55 H new ATOM 0 HB2 TYR A 36 -0.492 -13.751 -6.671 1.00 21.35 H new ATOM 0 HB3 TYR A 36 -1.078 -12.345 -5.804 1.00 21.35 H new ATOM 0 HD1 TYR A 36 0.240 -10.105 -6.123 1.00 73.04 H new ATOM 0 HD2 TYR A 36 0.779 -13.449 -8.720 1.00 4.50 H new ATOM 0 HE1 TYR A 36 1.295 -8.656 -7.788 1.00 1.42 H new ATOM 0 HE2 TYR A 36 1.877 -11.989 -10.356 1.00 24.22 H new ATOM 0 HH TYR A 36 2.520 -9.938 -10.873 1.00 61.14 H new ATOM 618 N LYS A 37 -0.088 -13.272 -2.818 1.00 74.14 N ATOM 619 CA LYS A 37 -0.560 -13.964 -1.614 1.00 34.43 C ATOM 620 C LYS A 37 -1.827 -13.278 -1.085 1.00 2.20 C ATOM 621 O LYS A 37 -1.761 -12.177 -0.537 1.00 63.25 O ATOM 622 CB LYS A 37 0.571 -13.996 -0.541 1.00 2.33 C ATOM 623 CG LYS A 37 0.356 -15.040 0.582 1.00 23.12 C ATOM 624 CD LYS A 37 0.315 -16.500 0.060 1.00 30.23 C ATOM 625 CE LYS A 37 1.615 -16.925 -0.649 1.00 31.00 C ATOM 626 NZ LYS A 37 2.795 -16.823 0.246 1.00 2.23 N ATOM 0 H LYS A 37 -0.017 -12.260 -2.713 1.00 74.14 H new ATOM 0 HA LYS A 37 -0.815 -14.996 -1.857 1.00 34.43 H new ATOM 0 HB2 LYS A 37 1.520 -14.203 -1.036 1.00 2.33 H new ATOM 0 HB3 LYS A 37 0.656 -13.007 -0.090 1.00 2.33 H new ATOM 0 HG2 LYS A 37 1.157 -14.946 1.315 1.00 23.12 H new ATOM 0 HG3 LYS A 37 -0.578 -14.820 1.100 1.00 23.12 H new ATOM 0 HD2 LYS A 37 0.127 -17.173 0.896 1.00 30.23 H new ATOM 0 HD3 LYS A 37 -0.521 -16.609 -0.631 1.00 30.23 H new ATOM 0 HE2 LYS A 37 1.516 -17.951 -1.003 1.00 31.00 H new ATOM 0 HE3 LYS A 37 1.771 -16.298 -1.527 1.00 31.00 H new ATOM 0 HZ1 LYS A 37 3.587 -17.360 -0.161 1.00 2.23 H new ATOM 0 HZ2 LYS A 37 3.069 -15.825 0.346 1.00 2.23 H new ATOM 0 HZ3 LYS A 37 2.557 -17.212 1.181 1.00 2.23 H new ATOM 640 N GLU A 38 -2.967 -13.963 -1.250 1.00 54.11 N ATOM 641 CA GLU A 38 -4.292 -13.452 -0.879 1.00 14.55 C ATOM 642 C GLU A 38 -4.516 -13.645 0.636 1.00 35.44 C ATOM 643 O GLU A 38 -4.730 -14.769 1.091 1.00 11.24 O ATOM 644 CB GLU A 38 -5.364 -14.198 -1.715 1.00 74.30 C ATOM 645 CG GLU A 38 -6.785 -13.647 -1.556 1.00 2.21 C ATOM 646 CD GLU A 38 -7.850 -14.533 -2.213 1.00 34.25 C ATOM 647 OE1 GLU A 38 -8.138 -14.354 -3.412 1.00 41.12 O ATOM 648 OE2 GLU A 38 -8.387 -15.434 -1.534 1.00 72.32 O ATOM 0 H GLU A 38 -2.994 -14.901 -1.651 1.00 54.11 H new ATOM 0 HA GLU A 38 -4.366 -12.385 -1.091 1.00 14.55 H new ATOM 0 HB2 GLU A 38 -5.084 -14.151 -2.767 1.00 74.30 H new ATOM 0 HB3 GLU A 38 -5.361 -15.250 -1.431 1.00 74.30 H new ATOM 0 HG2 GLU A 38 -7.011 -13.543 -0.495 1.00 2.21 H new ATOM 0 HG3 GLU A 38 -6.832 -12.649 -1.991 1.00 2.21 H new ATOM 655 N ARG A 39 -4.461 -12.539 1.407 1.00 70.10 N ATOM 656 CA ARG A 39 -4.401 -12.558 2.891 1.00 43.05 C ATOM 657 C ARG A 39 -5.348 -11.521 3.510 1.00 33.12 C ATOM 658 O ARG A 39 -5.889 -10.672 2.810 1.00 3.44 O ATOM 659 CB ARG A 39 -2.947 -12.267 3.366 1.00 23.22 C ATOM 660 CG ARG A 39 -1.882 -13.280 2.900 1.00 52.54 C ATOM 661 CD ARG A 39 -1.947 -14.642 3.624 1.00 34.14 C ATOM 662 NE ARG A 39 -3.128 -15.442 3.284 1.00 21.20 N ATOM 663 CZ ARG A 39 -4.009 -15.952 4.157 1.00 52.51 C ATOM 664 NH1 ARG A 39 -3.877 -15.750 5.465 1.00 22.22 N ATOM 665 NH2 ARG A 39 -5.028 -16.658 3.706 1.00 3.40 N ATOM 0 H ARG A 39 -4.457 -11.597 1.017 1.00 70.10 H new ATOM 0 HA ARG A 39 -4.714 -13.549 3.220 1.00 43.05 H new ATOM 0 HB2 ARG A 39 -2.660 -11.276 3.014 1.00 23.22 H new ATOM 0 HB3 ARG A 39 -2.939 -12.233 4.455 1.00 23.22 H new ATOM 0 HG2 ARG A 39 -1.997 -13.444 1.829 1.00 52.54 H new ATOM 0 HG3 ARG A 39 -0.893 -12.847 3.052 1.00 52.54 H new ATOM 0 HD2 ARG A 39 -1.051 -15.214 3.382 1.00 34.14 H new ATOM 0 HD3 ARG A 39 -1.934 -14.471 4.700 1.00 34.14 H new ATOM 0 HE ARG A 39 -3.294 -15.627 2.295 1.00 21.20 H new ATOM 0 HH11 ARG A 39 -3.095 -15.199 5.820 1.00 22.22 H new ATOM 0 HH12 ARG A 39 -4.557 -16.146 6.113 1.00 22.22 H new ATOM 0 HH21 ARG A 39 -5.139 -16.811 2.704 1.00 3.40 H new ATOM 0 HH22 ARG A 39 -5.705 -17.051 4.360 1.00 3.40 H new ATOM 679 N LEU A 40 -5.505 -11.586 4.846 1.00 61.11 N ATOM 680 CA LEU A 40 -6.325 -10.632 5.616 1.00 1.15 C ATOM 681 C LEU A 40 -5.426 -9.521 6.180 1.00 62.12 C ATOM 682 O LEU A 40 -4.513 -9.799 6.957 1.00 4.04 O ATOM 683 CB LEU A 40 -7.079 -11.361 6.769 1.00 55.52 C ATOM 684 CG LEU A 40 -7.945 -10.460 7.712 1.00 32.45 C ATOM 685 CD1 LEU A 40 -9.018 -9.653 6.930 1.00 14.41 C ATOM 686 CD2 LEU A 40 -8.590 -11.304 8.838 1.00 43.44 C ATOM 0 H LEU A 40 -5.066 -12.303 5.423 1.00 61.11 H new ATOM 0 HA LEU A 40 -7.069 -10.189 4.954 1.00 1.15 H new ATOM 0 HB2 LEU A 40 -7.728 -12.118 6.328 1.00 55.52 H new ATOM 0 HB3 LEU A 40 -6.345 -11.887 7.379 1.00 55.52 H new ATOM 0 HG LEU A 40 -7.275 -9.732 8.170 1.00 32.45 H new ATOM 0 HD11 LEU A 40 -9.594 -9.043 7.626 1.00 14.41 H new ATOM 0 HD12 LEU A 40 -8.528 -9.007 6.201 1.00 14.41 H new ATOM 0 HD13 LEU A 40 -9.686 -10.342 6.413 1.00 14.41 H new ATOM 0 HD21 LEU A 40 -9.187 -10.657 9.481 1.00 43.44 H new ATOM 0 HD22 LEU A 40 -9.230 -12.069 8.398 1.00 43.44 H new ATOM 0 HD23 LEU A 40 -7.808 -11.781 9.429 1.00 43.44 H new ATOM 698 N PHE A 41 -5.679 -8.279 5.759 1.00 30.52 N ATOM 699 CA PHE A 41 -4.998 -7.078 6.270 1.00 63.11 C ATOM 700 C PHE A 41 -5.958 -6.309 7.180 1.00 33.42 C ATOM 701 O PHE A 41 -7.055 -5.948 6.749 1.00 35.44 O ATOM 702 CB PHE A 41 -4.526 -6.179 5.093 1.00 53.53 C ATOM 703 CG PHE A 41 -3.290 -6.710 4.356 1.00 12.21 C ATOM 704 CD1 PHE A 41 -3.351 -7.869 3.577 1.00 74.11 C ATOM 705 CD2 PHE A 41 -2.059 -6.054 4.460 1.00 21.40 C ATOM 706 CE1 PHE A 41 -2.228 -8.348 2.927 1.00 52.13 C ATOM 707 CE2 PHE A 41 -0.940 -6.537 3.814 1.00 62.11 C ATOM 708 CZ PHE A 41 -1.024 -7.679 3.048 1.00 63.21 C ATOM 0 H PHE A 41 -6.374 -8.072 5.041 1.00 30.52 H new ATOM 0 HA PHE A 41 -4.118 -7.375 6.840 1.00 63.11 H new ATOM 0 HB2 PHE A 41 -5.344 -6.074 4.380 1.00 53.53 H new ATOM 0 HB3 PHE A 41 -4.307 -5.182 5.476 1.00 53.53 H new ATOM 0 HD1 PHE A 41 -4.288 -8.398 3.481 1.00 74.11 H new ATOM 0 HD2 PHE A 41 -1.984 -5.156 5.055 1.00 21.40 H new ATOM 0 HE1 PHE A 41 -2.291 -9.243 2.326 1.00 52.13 H new ATOM 0 HE2 PHE A 41 0.003 -6.019 3.909 1.00 62.11 H new ATOM 0 HZ PHE A 41 -0.147 -8.053 2.541 1.00 63.21 H new ATOM 718 N VAL A 42 -5.543 -6.097 8.434 1.00 34.41 N ATOM 719 CA VAL A 42 -6.292 -5.323 9.441 1.00 41.23 C ATOM 720 C VAL A 42 -5.502 -4.046 9.763 1.00 42.22 C ATOM 721 O VAL A 42 -4.342 -4.119 10.174 1.00 5.33 O ATOM 722 CB VAL A 42 -6.531 -6.169 10.759 1.00 20.04 C ATOM 723 CG1 VAL A 42 -7.250 -5.342 11.858 1.00 15.25 C ATOM 724 CG2 VAL A 42 -7.311 -7.470 10.445 1.00 5.03 C ATOM 0 H VAL A 42 -4.660 -6.464 8.788 1.00 34.41 H new ATOM 0 HA VAL A 42 -7.272 -5.067 9.038 1.00 41.23 H new ATOM 0 HB VAL A 42 -5.551 -6.442 11.151 1.00 20.04 H new ATOM 0 HG11 VAL A 42 -7.394 -5.961 12.744 1.00 15.25 H new ATOM 0 HG12 VAL A 42 -6.643 -4.474 12.116 1.00 15.25 H new ATOM 0 HG13 VAL A 42 -8.219 -5.009 11.487 1.00 15.25 H new ATOM 0 HG21 VAL A 42 -7.463 -8.034 11.365 1.00 5.03 H new ATOM 0 HG22 VAL A 42 -8.278 -7.218 10.010 1.00 5.03 H new ATOM 0 HG23 VAL A 42 -6.741 -8.074 9.739 1.00 5.03 H new ATOM 734 N LEU A 43 -6.135 -2.887 9.572 1.00 31.40 N ATOM 735 CA LEU A 43 -5.523 -1.577 9.818 1.00 65.43 C ATOM 736 C LEU A 43 -6.066 -1.026 11.129 1.00 30.42 C ATOM 737 O LEU A 43 -7.275 -0.922 11.292 1.00 51.33 O ATOM 738 CB LEU A 43 -5.848 -0.588 8.658 1.00 43.03 C ATOM 739 CG LEU A 43 -5.350 0.890 8.838 1.00 22.13 C ATOM 740 CD1 LEU A 43 -3.808 0.979 8.960 1.00 21.10 C ATOM 741 CD2 LEU A 43 -5.888 1.800 7.703 1.00 75.53 C ATOM 0 H LEU A 43 -7.097 -2.829 9.239 1.00 31.40 H new ATOM 0 HA LEU A 43 -4.440 -1.691 9.874 1.00 65.43 H new ATOM 0 HB2 LEU A 43 -5.415 -0.985 7.740 1.00 43.03 H new ATOM 0 HB3 LEU A 43 -6.929 -0.569 8.518 1.00 43.03 H new ATOM 0 HG LEU A 43 -5.757 1.255 9.781 1.00 22.13 H new ATOM 0 HD11 LEU A 43 -3.512 2.021 9.083 1.00 21.10 H new ATOM 0 HD12 LEU A 43 -3.478 0.404 9.825 1.00 21.10 H new ATOM 0 HD13 LEU A 43 -3.348 0.575 8.058 1.00 21.10 H new ATOM 0 HD21 LEU A 43 -5.528 2.818 7.852 1.00 75.53 H new ATOM 0 HD22 LEU A 43 -5.536 1.428 6.741 1.00 75.53 H new ATOM 0 HD23 LEU A 43 -6.978 1.794 7.718 1.00 75.53 H new ATOM 753 N THR A 44 -5.165 -0.724 12.065 1.00 45.33 N ATOM 754 CA THR A 44 -5.476 0.065 13.267 1.00 74.51 C ATOM 755 C THR A 44 -4.794 1.431 13.119 1.00 71.43 C ATOM 756 O THR A 44 -3.945 1.619 12.230 1.00 10.34 O ATOM 757 CB THR A 44 -5.000 -0.654 14.579 1.00 34.35 C ATOM 758 OG1 THR A 44 -3.562 -0.726 14.640 1.00 74.42 O ATOM 759 CG2 THR A 44 -5.581 -2.081 14.683 1.00 74.11 C ATOM 0 H THR A 44 -4.190 -1.020 12.014 1.00 45.33 H new ATOM 0 HA THR A 44 -6.556 0.182 13.355 1.00 74.51 H new ATOM 0 HB THR A 44 -5.367 -0.059 15.416 1.00 34.35 H new ATOM 0 HG1 THR A 44 -3.208 -0.954 13.755 1.00 74.42 H new ATOM 0 HG21 THR A 44 -5.231 -2.550 15.603 1.00 74.11 H new ATOM 0 HG22 THR A 44 -6.670 -2.031 14.692 1.00 74.11 H new ATOM 0 HG23 THR A 44 -5.252 -2.671 13.827 1.00 74.11 H new ATOM 767 N LYS A 45 -5.133 2.366 14.013 1.00 33.42 N ATOM 768 CA LYS A 45 -4.634 3.761 13.946 1.00 50.55 C ATOM 769 C LYS A 45 -3.117 3.885 14.228 1.00 71.50 C ATOM 770 O LYS A 45 -2.547 4.969 14.063 1.00 61.31 O ATOM 771 CB LYS A 45 -5.438 4.659 14.923 1.00 50.22 C ATOM 772 CG LYS A 45 -6.949 4.761 14.603 1.00 4.54 C ATOM 773 CD LYS A 45 -7.697 5.765 15.514 1.00 30.25 C ATOM 774 CE LYS A 45 -7.088 7.183 15.491 1.00 12.02 C ATOM 775 NZ LYS A 45 -6.964 7.732 14.111 1.00 64.23 N ATOM 0 H LYS A 45 -5.756 2.188 14.801 1.00 33.42 H new ATOM 0 HA LYS A 45 -4.784 4.098 12.920 1.00 50.55 H new ATOM 0 HB2 LYS A 45 -5.319 4.271 15.935 1.00 50.22 H new ATOM 0 HB3 LYS A 45 -5.009 5.661 14.913 1.00 50.22 H new ATOM 0 HG2 LYS A 45 -7.074 5.061 13.563 1.00 4.54 H new ATOM 0 HG3 LYS A 45 -7.404 3.776 14.708 1.00 4.54 H new ATOM 0 HD2 LYS A 45 -8.740 5.820 15.202 1.00 30.25 H new ATOM 0 HD3 LYS A 45 -7.690 5.391 16.538 1.00 30.25 H new ATOM 0 HE2 LYS A 45 -7.708 7.850 16.089 1.00 12.02 H new ATOM 0 HE3 LYS A 45 -6.103 7.159 15.958 1.00 12.02 H new ATOM 0 HZ1 LYS A 45 -6.566 8.692 14.154 1.00 64.23 H new ATOM 0 HZ2 LYS A 45 -6.337 7.121 13.550 1.00 64.23 H new ATOM 0 HZ3 LYS A 45 -7.903 7.766 13.665 1.00 64.23 H new ATOM 789 N SER A 46 -2.473 2.776 14.636 1.00 44.14 N ATOM 790 CA SER A 46 -1.052 2.767 15.035 1.00 34.32 C ATOM 791 C SER A 46 -0.217 1.792 14.182 1.00 11.33 C ATOM 792 O SER A 46 0.955 2.067 13.902 1.00 71.03 O ATOM 793 CB SER A 46 -0.956 2.417 16.530 1.00 73.34 C ATOM 794 OG SER A 46 -1.676 3.361 17.301 1.00 63.03 O ATOM 0 H SER A 46 -2.921 1.862 14.699 1.00 44.14 H new ATOM 0 HA SER A 46 -0.635 3.759 14.863 1.00 34.32 H new ATOM 0 HB2 SER A 46 -1.353 1.417 16.703 1.00 73.34 H new ATOM 0 HB3 SER A 46 0.089 2.403 16.841 1.00 73.34 H new ATOM 0 HG SER A 46 -1.609 3.127 18.250 1.00 63.03 H new ATOM 800 N MET A 47 -0.820 0.650 13.764 1.00 24.23 N ATOM 801 CA MET A 47 -0.120 -0.394 12.961 1.00 53.12 C ATOM 802 C MET A 47 -1.083 -1.052 11.952 1.00 1.22 C ATOM 803 O MET A 47 -2.255 -1.268 12.250 1.00 21.15 O ATOM 804 CB MET A 47 0.494 -1.514 13.873 1.00 70.21 C ATOM 805 CG MET A 47 1.634 -1.065 14.804 1.00 20.41 C ATOM 806 SD MET A 47 2.290 -2.407 15.825 1.00 2.13 S ATOM 807 CE MET A 47 0.864 -2.860 16.817 1.00 63.32 C ATOM 0 H MET A 47 -1.794 0.425 13.969 1.00 24.23 H new ATOM 0 HA MET A 47 0.685 0.111 12.428 1.00 53.12 H new ATOM 0 HB2 MET A 47 -0.303 -1.938 14.483 1.00 70.21 H new ATOM 0 HB3 MET A 47 0.866 -2.315 13.234 1.00 70.21 H new ATOM 0 HG2 MET A 47 2.441 -0.646 14.203 1.00 20.41 H new ATOM 0 HG3 MET A 47 1.272 -0.267 15.453 1.00 20.41 H new ATOM 0 HE1 MET A 47 1.188 -3.459 17.668 1.00 63.32 H new ATOM 0 HE2 MET A 47 0.369 -1.958 17.176 1.00 63.32 H new ATOM 0 HE3 MET A 47 0.167 -3.438 16.210 1.00 63.32 H new ATOM 817 N LEU A 48 -0.556 -1.388 10.769 1.00 33.40 N ATOM 818 CA LEU A 48 -1.234 -2.247 9.787 1.00 74.51 C ATOM 819 C LEU A 48 -0.719 -3.685 9.991 1.00 34.23 C ATOM 820 O LEU A 48 0.391 -4.028 9.571 1.00 2.40 O ATOM 821 CB LEU A 48 -0.935 -1.737 8.339 1.00 54.32 C ATOM 822 CG LEU A 48 -1.444 -2.623 7.146 1.00 63.24 C ATOM 823 CD1 LEU A 48 -2.980 -2.792 7.159 1.00 55.50 C ATOM 824 CD2 LEU A 48 -0.952 -2.059 5.782 1.00 30.05 C ATOM 0 H LEU A 48 0.363 -1.069 10.462 1.00 33.40 H new ATOM 0 HA LEU A 48 -2.315 -2.222 9.925 1.00 74.51 H new ATOM 0 HB2 LEU A 48 -1.373 -0.744 8.233 1.00 54.32 H new ATOM 0 HB3 LEU A 48 0.144 -1.622 8.238 1.00 54.32 H new ATOM 0 HG LEU A 48 -1.014 -3.616 7.278 1.00 63.24 H new ATOM 0 HD11 LEU A 48 -3.285 -3.412 6.316 1.00 55.50 H new ATOM 0 HD12 LEU A 48 -3.286 -3.270 8.090 1.00 55.50 H new ATOM 0 HD13 LEU A 48 -3.454 -1.814 7.080 1.00 55.50 H new ATOM 0 HD21 LEU A 48 -1.319 -2.691 4.973 1.00 30.05 H new ATOM 0 HD22 LEU A 48 -1.330 -1.045 5.650 1.00 30.05 H new ATOM 0 HD23 LEU A 48 0.138 -2.045 5.766 1.00 30.05 H new ATOM 836 N THR A 49 -1.524 -4.502 10.683 1.00 71.22 N ATOM 837 CA THR A 49 -1.188 -5.894 11.018 1.00 31.23 C ATOM 838 C THR A 49 -1.944 -6.844 10.086 1.00 11.32 C ATOM 839 O THR A 49 -3.173 -6.817 10.036 1.00 61.45 O ATOM 840 CB THR A 49 -1.546 -6.211 12.509 1.00 4.21 C ATOM 841 OG1 THR A 49 -0.872 -5.276 13.371 1.00 2.25 O ATOM 842 CG2 THR A 49 -1.169 -7.655 12.920 1.00 73.15 C ATOM 0 H THR A 49 -2.438 -4.212 11.031 1.00 71.22 H new ATOM 0 HA THR A 49 -0.115 -6.033 10.888 1.00 31.23 H new ATOM 0 HB THR A 49 -2.627 -6.118 12.610 1.00 4.21 H new ATOM 0 HG1 THR A 49 -1.096 -5.472 14.305 1.00 2.25 H new ATOM 0 HG21 THR A 49 -1.440 -7.819 13.963 1.00 73.15 H new ATOM 0 HG22 THR A 49 -1.706 -8.364 12.290 1.00 73.15 H new ATOM 0 HG23 THR A 49 -0.096 -7.800 12.797 1.00 73.15 H new ATOM 850 N TYR A 50 -1.200 -7.679 9.360 1.00 62.12 N ATOM 851 CA TYR A 50 -1.772 -8.671 8.439 1.00 73.34 C ATOM 852 C TYR A 50 -1.700 -10.069 9.069 1.00 15.01 C ATOM 853 O TYR A 50 -1.002 -10.290 10.074 1.00 63.31 O ATOM 854 CB TYR A 50 -1.056 -8.615 7.057 1.00 2.45 C ATOM 855 CG TYR A 50 0.487 -8.628 7.106 1.00 33.40 C ATOM 856 CD1 TYR A 50 1.201 -9.826 7.157 1.00 12.25 C ATOM 857 CD2 TYR A 50 1.230 -7.435 7.097 1.00 12.40 C ATOM 858 CE1 TYR A 50 2.575 -9.839 7.194 1.00 51.44 C ATOM 859 CE2 TYR A 50 2.613 -7.451 7.133 1.00 32.11 C ATOM 860 CZ TYR A 50 3.277 -8.658 7.183 1.00 43.23 C ATOM 861 OH TYR A 50 4.654 -8.684 7.224 1.00 10.42 O ATOM 0 H TYR A 50 -0.181 -7.689 9.392 1.00 62.12 H new ATOM 0 HA TYR A 50 -2.822 -8.437 8.263 1.00 73.34 H new ATOM 0 HB2 TYR A 50 -1.390 -9.463 6.460 1.00 2.45 H new ATOM 0 HB3 TYR A 50 -1.378 -7.713 6.537 1.00 2.45 H new ATOM 0 HD1 TYR A 50 0.663 -10.762 7.168 1.00 12.25 H new ATOM 0 HD2 TYR A 50 0.712 -6.488 7.061 1.00 12.40 H new ATOM 0 HE1 TYR A 50 3.104 -10.780 7.232 1.00 51.44 H new ATOM 0 HE2 TYR A 50 3.168 -6.525 7.122 1.00 32.11 H new ATOM 0 HH TYR A 50 4.999 -7.767 7.209 1.00 10.42 H new ATOM 871 N TYR A 51 -2.411 -11.015 8.449 1.00 15.30 N ATOM 872 CA TYR A 51 -2.565 -12.381 8.962 1.00 63.31 C ATOM 873 C TYR A 51 -2.243 -13.364 7.849 1.00 62.40 C ATOM 874 O TYR A 51 -2.920 -13.393 6.809 1.00 21.01 O ATOM 875 CB TYR A 51 -3.998 -12.610 9.510 1.00 32.34 C ATOM 876 CG TYR A 51 -4.286 -11.801 10.783 1.00 64.34 C ATOM 877 CD1 TYR A 51 -3.650 -12.122 11.987 1.00 72.32 C ATOM 878 CD2 TYR A 51 -5.142 -10.697 10.781 1.00 51.55 C ATOM 879 CE1 TYR A 51 -3.869 -11.385 13.135 1.00 35.32 C ATOM 880 CE2 TYR A 51 -5.353 -9.958 11.931 1.00 72.11 C ATOM 881 CZ TYR A 51 -4.716 -10.303 13.100 1.00 74.23 C ATOM 882 OH TYR A 51 -4.930 -9.556 14.243 1.00 24.52 O ATOM 0 H TYR A 51 -2.901 -10.854 7.569 1.00 15.30 H new ATOM 0 HA TYR A 51 -1.875 -12.536 9.791 1.00 63.31 H new ATOM 0 HB2 TYR A 51 -4.723 -12.340 8.742 1.00 32.34 H new ATOM 0 HB3 TYR A 51 -4.136 -13.671 9.720 1.00 32.34 H new ATOM 0 HD1 TYR A 51 -2.974 -12.963 12.020 1.00 72.32 H new ATOM 0 HD2 TYR A 51 -5.646 -10.416 9.868 1.00 51.55 H new ATOM 0 HE1 TYR A 51 -3.376 -11.658 14.057 1.00 35.32 H new ATOM 0 HE2 TYR A 51 -6.019 -9.108 11.911 1.00 72.11 H new ATOM 0 HH TYR A 51 -5.554 -8.827 14.045 1.00 24.52 H new ATOM 1081 N PHE A 63 3.549 -7.189 10.913 1.00 23.35 N ATOM 1082 CA PHE A 63 2.922 -5.869 10.802 1.00 75.13 C ATOM 1083 C PHE A 63 3.905 -4.857 10.205 1.00 41.11 C ATOM 1084 O PHE A 63 5.110 -5.117 10.098 1.00 33.43 O ATOM 1085 CB PHE A 63 2.392 -5.366 12.187 1.00 13.24 C ATOM 1086 CG PHE A 63 3.437 -5.260 13.310 1.00 3.22 C ATOM 1087 CD1 PHE A 63 4.184 -4.089 13.502 1.00 43.53 C ATOM 1088 CD2 PHE A 63 3.674 -6.332 14.177 1.00 51.11 C ATOM 1089 CE1 PHE A 63 5.108 -3.994 14.524 1.00 31.44 C ATOM 1090 CE2 PHE A 63 4.599 -6.231 15.201 1.00 41.43 C ATOM 1091 CZ PHE A 63 5.324 -5.068 15.367 1.00 14.50 C ATOM 0 HA PHE A 63 2.066 -5.964 10.134 1.00 75.13 H new ATOM 0 HB2 PHE A 63 1.939 -4.385 12.046 1.00 13.24 H new ATOM 0 HB3 PHE A 63 1.600 -6.039 12.517 1.00 13.24 H new ATOM 0 HD1 PHE A 63 4.034 -3.248 12.841 1.00 43.53 H new ATOM 0 HD2 PHE A 63 3.126 -7.253 14.045 1.00 51.11 H new ATOM 0 HE1 PHE A 63 5.663 -3.078 14.665 1.00 31.44 H new ATOM 0 HE2 PHE A 63 4.754 -7.063 15.871 1.00 41.43 H new ATOM 0 HZ PHE A 63 6.059 -4.997 16.155 1.00 14.50 H new ATOM 1101 N ILE A 64 3.356 -3.698 9.838 1.00 12.42 N ATOM 1102 CA ILE A 64 4.105 -2.489 9.494 1.00 4.34 C ATOM 1103 C ILE A 64 3.495 -1.358 10.331 1.00 1.44 C ATOM 1104 O ILE A 64 2.268 -1.249 10.411 1.00 1.23 O ATOM 1105 CB ILE A 64 4.033 -2.146 7.947 1.00 63.44 C ATOM 1106 CG1 ILE A 64 4.670 -3.291 7.082 1.00 21.10 C ATOM 1107 CG2 ILE A 64 4.723 -0.785 7.647 1.00 12.44 C ATOM 1108 CD1 ILE A 64 4.612 -3.065 5.581 1.00 25.02 C ATOM 0 H ILE A 64 2.346 -3.571 9.770 1.00 12.42 H new ATOM 0 HA ILE A 64 5.164 -2.630 9.710 1.00 4.34 H new ATOM 0 HB ILE A 64 2.981 -2.063 7.675 1.00 63.44 H new ATOM 0 HG12 ILE A 64 5.712 -3.412 7.377 1.00 21.10 H new ATOM 0 HG13 ILE A 64 4.162 -4.227 7.314 1.00 21.10 H new ATOM 0 HG21 ILE A 64 4.660 -0.573 6.580 1.00 12.44 H new ATOM 0 HG22 ILE A 64 4.223 0.007 8.205 1.00 12.44 H new ATOM 0 HG23 ILE A 64 5.770 -0.834 7.946 1.00 12.44 H new ATOM 0 HD11 ILE A 64 5.076 -3.908 5.068 1.00 25.02 H new ATOM 0 HD12 ILE A 64 3.572 -2.976 5.266 1.00 25.02 H new ATOM 0 HD13 ILE A 64 5.146 -2.149 5.330 1.00 25.02 H new ATOM 1120 N ASP A 65 4.342 -0.535 10.959 1.00 35.41 N ATOM 1121 CA ASP A 65 3.882 0.577 11.803 1.00 13.22 C ATOM 1122 C ASP A 65 3.485 1.744 10.885 1.00 3.54 C ATOM 1123 O ASP A 65 4.165 1.985 9.879 1.00 11.02 O ATOM 1124 CB ASP A 65 4.996 1.004 12.788 1.00 55.34 C ATOM 1125 CG ASP A 65 4.511 2.000 13.855 1.00 61.44 C ATOM 1126 OD1 ASP A 65 3.913 1.565 14.863 1.00 75.04 O ATOM 1127 OD2 ASP A 65 4.718 3.217 13.691 1.00 4.54 O ATOM 0 H ASP A 65 5.357 -0.618 10.899 1.00 35.41 H new ATOM 0 HA ASP A 65 3.022 0.268 12.397 1.00 13.22 H new ATOM 0 HB2 ASP A 65 5.395 0.118 13.282 1.00 55.34 H new ATOM 0 HB3 ASP A 65 5.816 1.453 12.227 1.00 55.34 H new ATOM 1132 N VAL A 66 2.399 2.449 11.238 1.00 2.44 N ATOM 1133 CA VAL A 66 1.859 3.575 10.444 1.00 23.01 C ATOM 1134 C VAL A 66 2.881 4.729 10.345 1.00 73.00 C ATOM 1135 O VAL A 66 3.021 5.342 9.284 1.00 22.42 O ATOM 1136 CB VAL A 66 0.469 4.067 11.026 1.00 2.23 C ATOM 1137 CG1 VAL A 66 -0.012 5.384 10.366 1.00 75.20 C ATOM 1138 CG2 VAL A 66 -0.602 2.949 10.860 1.00 44.14 C ATOM 0 H VAL A 66 1.865 2.257 12.085 1.00 2.44 H new ATOM 0 HA VAL A 66 1.678 3.217 9.430 1.00 23.01 H new ATOM 0 HB VAL A 66 0.612 4.277 12.086 1.00 2.23 H new ATOM 0 HG11 VAL A 66 -0.968 5.680 10.798 1.00 75.20 H new ATOM 0 HG12 VAL A 66 0.724 6.169 10.541 1.00 75.20 H new ATOM 0 HG13 VAL A 66 -0.131 5.231 9.293 1.00 75.20 H new ATOM 0 HG21 VAL A 66 -1.554 3.295 11.262 1.00 44.14 H new ATOM 0 HG22 VAL A 66 -0.719 2.712 9.803 1.00 44.14 H new ATOM 0 HG23 VAL A 66 -0.283 2.057 11.399 1.00 44.14 H new ATOM 1148 N SER A 67 3.626 4.972 11.438 1.00 24.50 N ATOM 1149 CA SER A 67 4.683 6.005 11.478 1.00 42.53 C ATOM 1150 C SER A 67 5.960 5.555 10.748 1.00 61.00 C ATOM 1151 O SER A 67 6.810 6.387 10.435 1.00 55.21 O ATOM 1152 CB SER A 67 4.997 6.406 12.930 1.00 1.44 C ATOM 1153 OG SER A 67 3.863 7.003 13.533 1.00 74.40 O ATOM 0 H SER A 67 3.516 4.463 12.315 1.00 24.50 H new ATOM 0 HA SER A 67 4.301 6.879 10.950 1.00 42.53 H new ATOM 0 HB2 SER A 67 5.299 5.527 13.500 1.00 1.44 H new ATOM 0 HB3 SER A 67 5.836 7.102 12.949 1.00 1.44 H new ATOM 0 HG SER A 67 3.508 7.700 12.943 1.00 74.40 H new ATOM 1159 N LYS A 68 6.087 4.241 10.485 1.00 61.34 N ATOM 1160 CA LYS A 68 7.190 3.690 9.660 1.00 11.32 C ATOM 1161 C LYS A 68 6.864 3.787 8.159 1.00 72.35 C ATOM 1162 O LYS A 68 7.762 3.644 7.322 1.00 53.25 O ATOM 1163 CB LYS A 68 7.517 2.219 10.071 1.00 62.11 C ATOM 1164 CG LYS A 68 8.308 2.090 11.400 1.00 74.13 C ATOM 1165 CD LYS A 68 9.711 2.733 11.300 1.00 3.12 C ATOM 1166 CE LYS A 68 10.493 2.722 12.625 1.00 22.53 C ATOM 1167 NZ LYS A 68 11.831 3.358 12.457 1.00 45.40 N ATOM 0 H LYS A 68 5.438 3.534 10.832 1.00 61.34 H new ATOM 0 HA LYS A 68 8.078 4.294 9.846 1.00 11.32 H new ATOM 0 HB2 LYS A 68 6.584 1.663 10.161 1.00 62.11 H new ATOM 0 HB3 LYS A 68 8.092 1.750 9.272 1.00 62.11 H new ATOM 0 HG2 LYS A 68 7.747 2.566 12.204 1.00 74.13 H new ATOM 0 HG3 LYS A 68 8.409 1.037 11.662 1.00 74.13 H new ATOM 0 HD2 LYS A 68 10.290 2.205 10.542 1.00 3.12 H new ATOM 0 HD3 LYS A 68 9.605 3.763 10.959 1.00 3.12 H new ATOM 0 HE2 LYS A 68 9.927 3.253 13.391 1.00 22.53 H new ATOM 0 HE3 LYS A 68 10.614 1.696 12.972 1.00 22.53 H new ATOM 0 HZ1 LYS A 68 12.341 3.339 13.363 1.00 45.40 H new ATOM 0 HZ2 LYS A 68 12.377 2.835 11.742 1.00 45.40 H new ATOM 0 HZ3 LYS A 68 11.711 4.344 12.148 1.00 45.40 H new ATOM 1181 N ILE A 69 5.583 4.024 7.827 1.00 5.23 N ATOM 1182 CA ILE A 69 5.152 4.261 6.444 1.00 64.34 C ATOM 1183 C ILE A 69 5.464 5.718 6.050 1.00 44.33 C ATOM 1184 O ILE A 69 5.053 6.662 6.743 1.00 22.32 O ATOM 1185 CB ILE A 69 3.618 3.986 6.238 1.00 31.32 C ATOM 1186 CG1 ILE A 69 3.229 2.554 6.731 1.00 61.14 C ATOM 1187 CG2 ILE A 69 3.228 4.185 4.750 1.00 22.25 C ATOM 1188 CD1 ILE A 69 1.734 2.247 6.709 1.00 32.34 C ATOM 0 H ILE A 69 4.824 4.056 8.507 1.00 5.23 H new ATOM 0 HA ILE A 69 5.700 3.565 5.809 1.00 64.34 H new ATOM 0 HB ILE A 69 3.060 4.704 6.839 1.00 31.32 H new ATOM 0 HG12 ILE A 69 3.744 1.820 6.111 1.00 61.14 H new ATOM 0 HG13 ILE A 69 3.596 2.425 7.749 1.00 61.14 H new ATOM 0 HG21 ILE A 69 2.163 3.991 4.624 1.00 22.25 H new ATOM 0 HG22 ILE A 69 3.448 5.210 4.450 1.00 22.25 H new ATOM 0 HG23 ILE A 69 3.799 3.495 4.129 1.00 22.25 H new ATOM 0 HD11 ILE A 69 1.566 1.232 7.068 1.00 32.34 H new ATOM 0 HD12 ILE A 69 1.208 2.952 7.353 1.00 32.34 H new ATOM 0 HD13 ILE A 69 1.359 2.338 5.690 1.00 32.34 H new ATOM 1200 N LYS A 70 6.201 5.871 4.939 1.00 14.12 N ATOM 1201 CA LYS A 70 6.552 7.176 4.364 1.00 61.21 C ATOM 1202 C LYS A 70 5.435 7.680 3.435 1.00 53.44 C ATOM 1203 O LYS A 70 4.896 8.764 3.651 1.00 11.51 O ATOM 1204 CB LYS A 70 7.910 7.091 3.605 1.00 60.12 C ATOM 1205 CG LYS A 70 9.114 6.686 4.498 1.00 50.20 C ATOM 1206 CD LYS A 70 10.484 6.917 3.806 1.00 53.23 C ATOM 1207 CE LYS A 70 10.732 6.001 2.589 1.00 34.42 C ATOM 1208 NZ LYS A 70 11.082 4.610 2.978 1.00 54.25 N ATOM 0 H LYS A 70 6.573 5.083 4.410 1.00 14.12 H new ATOM 0 HA LYS A 70 6.661 7.892 5.178 1.00 61.21 H new ATOM 0 HB2 LYS A 70 7.815 6.370 2.793 1.00 60.12 H new ATOM 0 HB3 LYS A 70 8.120 8.058 3.149 1.00 60.12 H new ATOM 0 HG2 LYS A 70 9.080 7.257 5.426 1.00 50.20 H new ATOM 0 HG3 LYS A 70 9.022 5.634 4.768 1.00 50.20 H new ATOM 0 HD2 LYS A 70 10.547 7.957 3.485 1.00 53.23 H new ATOM 0 HD3 LYS A 70 11.279 6.760 4.535 1.00 53.23 H new ATOM 0 HE2 LYS A 70 9.839 5.985 1.964 1.00 34.42 H new ATOM 0 HE3 LYS A 70 11.537 6.418 1.984 1.00 34.42 H new ATOM 0 HZ1 LYS A 70 11.716 4.199 2.264 1.00 54.25 H new ATOM 0 HZ2 LYS A 70 11.559 4.618 3.902 1.00 54.25 H new ATOM 0 HZ3 LYS A 70 10.215 4.039 3.041 1.00 54.25 H new ATOM 1222 N CYS A 71 5.093 6.890 2.396 1.00 63.21 N ATOM 1223 CA CYS A 71 4.076 7.289 1.397 1.00 62.34 C ATOM 1224 C CYS A 71 3.232 6.085 0.943 1.00 41.23 C ATOM 1225 O CYS A 71 3.778 5.071 0.521 1.00 21.40 O ATOM 1226 CB CYS A 71 4.774 7.930 0.171 1.00 33.24 C ATOM 1227 SG CYS A 71 5.838 9.326 0.585 1.00 44.03 S ATOM 0 H CYS A 71 5.505 5.973 2.226 1.00 63.21 H new ATOM 0 HA CYS A 71 3.408 8.013 1.864 1.00 62.34 H new ATOM 0 HB2 CYS A 71 5.369 7.170 -0.335 1.00 33.24 H new ATOM 0 HB3 CYS A 71 4.013 8.262 -0.536 1.00 33.24 H new ATOM 0 HG CYS A 71 5.284 10.429 0.178 1.00 44.03 H new ATOM 1233 N VAL A 72 1.898 6.203 1.052 1.00 41.23 N ATOM 1234 CA VAL A 72 0.941 5.268 0.419 1.00 4.42 C ATOM 1235 C VAL A 72 0.320 5.970 -0.785 1.00 71.22 C ATOM 1236 O VAL A 72 -0.048 7.138 -0.685 1.00 33.25 O ATOM 1237 CB VAL A 72 -0.205 4.802 1.402 1.00 1.11 C ATOM 1238 CG1 VAL A 72 -1.273 3.934 0.675 1.00 44.03 C ATOM 1239 CG2 VAL A 72 0.396 4.042 2.603 1.00 23.22 C ATOM 0 H VAL A 72 1.448 6.950 1.582 1.00 41.23 H new ATOM 0 HA VAL A 72 1.487 4.372 0.126 1.00 4.42 H new ATOM 0 HB VAL A 72 -0.711 5.695 1.769 1.00 1.11 H new ATOM 0 HG11 VAL A 72 -2.043 3.634 1.386 1.00 44.03 H new ATOM 0 HG12 VAL A 72 -1.727 4.513 -0.129 1.00 44.03 H new ATOM 0 HG13 VAL A 72 -0.798 3.046 0.258 1.00 44.03 H new ATOM 0 HG21 VAL A 72 -0.405 3.727 3.272 1.00 23.22 H new ATOM 0 HG22 VAL A 72 0.936 3.165 2.245 1.00 23.22 H new ATOM 0 HG23 VAL A 72 1.082 4.696 3.141 1.00 23.22 H new ATOM 1249 N GLU A 73 0.207 5.260 -1.909 1.00 4.44 N ATOM 1250 CA GLU A 73 -0.390 5.795 -3.131 1.00 33.23 C ATOM 1251 C GLU A 73 -0.862 4.635 -4.010 1.00 32.31 C ATOM 1252 O GLU A 73 -0.536 3.483 -3.737 1.00 40.05 O ATOM 1253 CB GLU A 73 0.645 6.703 -3.876 1.00 64.34 C ATOM 1254 CG GLU A 73 0.056 7.587 -4.994 1.00 3.31 C ATOM 1255 CD GLU A 73 -1.129 8.448 -4.514 1.00 61.41 C ATOM 1256 OE1 GLU A 73 -0.903 9.550 -3.972 1.00 72.22 O ATOM 1257 OE2 GLU A 73 -2.299 8.017 -4.674 1.00 12.34 O ATOM 0 H GLU A 73 0.528 4.296 -1.996 1.00 4.44 H new ATOM 0 HA GLU A 73 -1.254 6.413 -2.888 1.00 33.23 H new ATOM 0 HB2 GLU A 73 1.133 7.347 -3.144 1.00 64.34 H new ATOM 0 HB3 GLU A 73 1.419 6.067 -4.307 1.00 64.34 H new ATOM 0 HG2 GLU A 73 0.837 8.239 -5.385 1.00 3.31 H new ATOM 0 HG3 GLU A 73 -0.272 6.953 -5.817 1.00 3.31 H new ATOM 1264 N ILE A 74 -1.661 4.935 -5.038 1.00 40.34 N ATOM 1265 CA ILE A 74 -2.029 3.961 -6.072 1.00 40.31 C ATOM 1266 C ILE A 74 -0.815 3.652 -6.974 1.00 54.52 C ATOM 1267 O ILE A 74 0.118 4.470 -7.074 1.00 35.23 O ATOM 1268 CB ILE A 74 -3.285 4.467 -6.898 1.00 14.54 C ATOM 1269 CG1 ILE A 74 -3.102 5.905 -7.540 1.00 72.01 C ATOM 1270 CG2 ILE A 74 -4.531 4.458 -5.985 1.00 74.35 C ATOM 1271 CD1 ILE A 74 -2.325 5.971 -8.850 1.00 54.13 C ATOM 0 H ILE A 74 -2.071 5.858 -5.178 1.00 40.34 H new ATOM 0 HA ILE A 74 -2.322 3.026 -5.594 1.00 40.31 H new ATOM 0 HB ILE A 74 -3.404 3.778 -7.734 1.00 14.54 H new ATOM 0 HG12 ILE A 74 -4.091 6.332 -7.708 1.00 72.01 H new ATOM 0 HG13 ILE A 74 -2.599 6.542 -6.812 1.00 72.01 H new ATOM 0 HG21 ILE A 74 -5.397 4.805 -6.548 1.00 74.35 H new ATOM 0 HG22 ILE A 74 -4.713 3.444 -5.628 1.00 74.35 H new ATOM 0 HG23 ILE A 74 -4.363 5.118 -5.134 1.00 74.35 H new ATOM 0 HD11 ILE A 74 -2.268 7.006 -9.188 1.00 54.13 H new ATOM 0 HD12 ILE A 74 -1.318 5.584 -8.696 1.00 54.13 H new ATOM 0 HD13 ILE A 74 -2.833 5.371 -9.605 1.00 54.13 H new ATOM 1283 N VAL A 75 -0.824 2.473 -7.615 1.00 13.03 N ATOM 1284 CA VAL A 75 0.201 2.101 -8.607 1.00 34.14 C ATOM 1285 C VAL A 75 -0.362 2.443 -9.992 1.00 10.43 C ATOM 1286 O VAL A 75 -1.444 1.959 -10.355 1.00 20.01 O ATOM 1287 CB VAL A 75 0.594 0.572 -8.552 1.00 52.02 C ATOM 1288 CG1 VAL A 75 1.723 0.251 -9.565 1.00 50.32 C ATOM 1289 CG2 VAL A 75 0.993 0.144 -7.122 1.00 22.03 C ATOM 0 H VAL A 75 -1.534 1.756 -7.464 1.00 13.03 H new ATOM 0 HA VAL A 75 1.114 2.654 -8.388 1.00 34.14 H new ATOM 0 HB VAL A 75 -0.286 -0.005 -8.835 1.00 52.02 H new ATOM 0 HG11 VAL A 75 1.974 -0.808 -9.506 1.00 50.32 H new ATOM 0 HG12 VAL A 75 1.385 0.488 -10.574 1.00 50.32 H new ATOM 0 HG13 VAL A 75 2.605 0.847 -9.328 1.00 50.32 H new ATOM 0 HG21 VAL A 75 1.258 -0.913 -7.119 1.00 22.03 H new ATOM 0 HG22 VAL A 75 1.848 0.733 -6.791 1.00 22.03 H new ATOM 0 HG23 VAL A 75 0.155 0.310 -6.445 1.00 22.03 H new ATOM 1299 N LYS A 76 0.352 3.292 -10.741 1.00 63.32 N ATOM 1300 CA LYS A 76 -0.061 3.727 -12.081 1.00 31.35 C ATOM 1301 C LYS A 76 0.266 2.634 -13.112 1.00 53.31 C ATOM 1302 O LYS A 76 1.409 2.499 -13.554 1.00 14.01 O ATOM 1303 CB LYS A 76 0.617 5.077 -12.438 1.00 14.25 C ATOM 1304 CG LYS A 76 0.199 6.244 -11.513 1.00 74.44 C ATOM 1305 CD LYS A 76 0.898 7.580 -11.854 1.00 65.30 C ATOM 1306 CE LYS A 76 0.628 8.058 -13.286 1.00 61.10 C ATOM 1307 NZ LYS A 76 1.316 9.341 -13.571 1.00 1.24 N ATOM 0 H LYS A 76 1.236 3.698 -10.434 1.00 63.32 H new ATOM 0 HA LYS A 76 -1.139 3.886 -12.095 1.00 31.35 H new ATOM 0 HB2 LYS A 76 1.699 4.955 -12.388 1.00 14.25 H new ATOM 0 HB3 LYS A 76 0.372 5.336 -13.468 1.00 14.25 H new ATOM 0 HG2 LYS A 76 -0.880 6.381 -11.578 1.00 74.44 H new ATOM 0 HG3 LYS A 76 0.425 5.978 -10.480 1.00 74.44 H new ATOM 0 HD2 LYS A 76 0.564 8.346 -11.154 1.00 65.30 H new ATOM 0 HD3 LYS A 76 1.973 7.466 -11.713 1.00 65.30 H new ATOM 0 HE2 LYS A 76 0.964 7.299 -13.993 1.00 61.10 H new ATOM 0 HE3 LYS A 76 -0.445 8.179 -13.434 1.00 61.10 H new ATOM 0 HZ1 LYS A 76 0.619 10.113 -13.588 1.00 1.24 H new ATOM 0 HZ2 LYS A 76 2.022 9.528 -12.831 1.00 1.24 H new ATOM 0 HZ3 LYS A 76 1.790 9.283 -14.495 1.00 1.24 H new ATOM 1382 N ILE A 82 -3.146 -5.627 -15.556 1.00 70.11 N ATOM 1383 CA ILE A 82 -2.944 -5.916 -14.123 1.00 44.03 C ATOM 1384 C ILE A 82 -2.424 -7.360 -14.012 1.00 3.12 C ATOM 1385 O ILE A 82 -3.152 -8.290 -14.381 1.00 72.23 O ATOM 1386 CB ILE A 82 -4.269 -5.776 -13.260 1.00 45.05 C ATOM 1387 CG1 ILE A 82 -4.952 -4.377 -13.453 1.00 31.12 C ATOM 1388 CG2 ILE A 82 -3.986 -6.055 -11.754 1.00 34.40 C ATOM 1389 CD1 ILE A 82 -4.168 -3.186 -12.922 1.00 33.44 C ATOM 0 HA ILE A 82 -2.238 -5.186 -13.727 1.00 44.03 H new ATOM 0 HB ILE A 82 -4.969 -6.529 -13.622 1.00 45.05 H new ATOM 0 HG12 ILE A 82 -5.134 -4.225 -14.517 1.00 31.12 H new ATOM 0 HG13 ILE A 82 -5.925 -4.397 -12.963 1.00 31.12 H new ATOM 0 HG21 ILE A 82 -4.910 -5.952 -11.185 1.00 34.40 H new ATOM 0 HG22 ILE A 82 -3.599 -7.067 -11.638 1.00 34.40 H new ATOM 0 HG23 ILE A 82 -3.251 -5.341 -11.384 1.00 34.40 H new ATOM 0 HD11 ILE A 82 -4.729 -2.270 -13.106 1.00 33.44 H new ATOM 0 HD12 ILE A 82 -4.008 -3.304 -11.850 1.00 33.44 H new ATOM 0 HD13 ILE A 82 -3.204 -3.130 -13.429 1.00 33.44 H new ATOM 1401 N PRO A 83 -1.172 -7.592 -13.493 1.00 63.04 N ATOM 1402 CA PRO A 83 -0.597 -8.960 -13.367 1.00 1.31 C ATOM 1403 C PRO A 83 -1.131 -9.749 -12.130 1.00 74.51 C ATOM 1404 O PRO A 83 -0.426 -10.585 -11.576 1.00 63.14 O ATOM 1405 CB PRO A 83 0.921 -8.655 -13.258 1.00 63.24 C ATOM 1406 CG PRO A 83 0.991 -7.343 -12.536 1.00 22.33 C ATOM 1407 CD PRO A 83 -0.211 -6.546 -13.010 1.00 11.23 C ATOM 0 HA PRO A 83 -0.864 -9.612 -14.199 1.00 1.31 H new ATOM 0 HB2 PRO A 83 1.444 -9.438 -12.709 1.00 63.24 H new ATOM 0 HB3 PRO A 83 1.384 -8.591 -14.243 1.00 63.24 H new ATOM 0 HG2 PRO A 83 0.962 -7.489 -11.456 1.00 22.33 H new ATOM 0 HG3 PRO A 83 1.921 -6.821 -12.763 1.00 22.33 H new ATOM 0 HD2 PRO A 83 -0.640 -5.952 -12.203 1.00 11.23 H new ATOM 0 HD3 PRO A 83 0.059 -5.853 -13.807 1.00 11.23 H new ATOM 1415 N CYS A 84 -2.393 -9.501 -11.744 1.00 55.53 N ATOM 1416 CA CYS A 84 -3.054 -10.130 -10.585 1.00 51.05 C ATOM 1417 C CYS A 84 -4.578 -10.037 -10.762 1.00 34.43 C ATOM 1418 O CYS A 84 -5.055 -9.192 -11.524 1.00 42.13 O ATOM 1419 CB CYS A 84 -2.607 -9.425 -9.293 1.00 21.11 C ATOM 1420 SG CYS A 84 -3.433 -9.969 -7.792 1.00 1.44 S ATOM 0 H CYS A 84 -2.997 -8.844 -12.238 1.00 55.53 H new ATOM 0 HA CYS A 84 -2.773 -11.181 -10.517 1.00 51.05 H new ATOM 0 HB2 CYS A 84 -1.534 -9.573 -9.171 1.00 21.11 H new ATOM 0 HB3 CYS A 84 -2.770 -8.353 -9.409 1.00 21.11 H new ATOM 0 HG CYS A 84 -2.969 -9.304 -6.776 1.00 1.44 H new ATOM 1426 N GLN A 85 -5.330 -10.912 -10.063 1.00 20.21 N ATOM 1427 CA GLN A 85 -6.813 -10.974 -10.157 1.00 41.30 C ATOM 1428 C GLN A 85 -7.476 -9.740 -9.497 1.00 40.14 C ATOM 1429 O GLN A 85 -8.656 -9.458 -9.722 1.00 63.44 O ATOM 1430 CB GLN A 85 -7.352 -12.270 -9.481 1.00 40.02 C ATOM 1431 CG GLN A 85 -7.163 -12.319 -7.945 1.00 55.21 C ATOM 1432 CD GLN A 85 -7.852 -13.499 -7.261 1.00 45.50 C ATOM 1433 OE1 GLN A 85 -7.330 -13.908 -6.122 1.00 41.33 O flip ATOM 1434 NE2 GLN A 85 -8.865 -14.014 -7.733 1.00 35.40 N flip ATOM 0 H GLN A 85 -4.933 -11.595 -9.418 1.00 20.21 H new ATOM 0 HA GLN A 85 -7.069 -10.982 -11.217 1.00 41.30 H new ATOM 0 HB2 GLN A 85 -8.414 -12.368 -9.707 1.00 40.02 H new ATOM 0 HB3 GLN A 85 -6.851 -13.131 -9.924 1.00 40.02 H new ATOM 0 HG2 GLN A 85 -6.096 -12.359 -7.724 1.00 55.21 H new ATOM 0 HG3 GLN A 85 -7.544 -11.393 -7.515 1.00 55.21 H new ATOM 0 HE21 GLN A 85 -9.245 -13.675 -8.617 1.00 35.40 H new ATOM 0 HE22 GLN A 85 -9.325 -14.780 -7.240 1.00 35.40 H new ATOM 1443 N ASN A 86 -6.705 -9.050 -8.645 1.00 1.21 N ATOM 1444 CA ASN A 86 -7.150 -7.857 -7.911 1.00 44.01 C ATOM 1445 C ASN A 86 -6.890 -6.596 -8.754 1.00 22.24 C ATOM 1446 O ASN A 86 -5.730 -6.222 -8.975 1.00 22.41 O ATOM 1447 CB ASN A 86 -6.415 -7.795 -6.543 1.00 64.45 C ATOM 1448 CG ASN A 86 -6.967 -8.772 -5.501 1.00 51.33 C ATOM 1449 OD1 ASN A 86 -7.536 -9.807 -5.830 1.00 43.30 O ATOM 1450 ND2 ASN A 86 -6.783 -8.462 -4.227 1.00 73.52 N ATOM 0 H ASN A 86 -5.739 -9.309 -8.443 1.00 1.21 H new ATOM 0 HA ASN A 86 -8.222 -7.911 -7.721 1.00 44.01 H new ATOM 0 HB2 ASN A 86 -5.357 -8.005 -6.700 1.00 64.45 H new ATOM 0 HB3 ASN A 86 -6.484 -6.781 -6.149 1.00 64.45 H new ATOM 0 HD21 ASN A 86 -7.117 -9.090 -3.496 1.00 73.52 H new ATOM 0 HD22 ASN A 86 -6.307 -7.595 -3.977 1.00 73.52 H new ATOM 1457 N LYS A 87 -7.985 -5.961 -9.215 1.00 4.31 N ATOM 1458 CA LYS A 87 -7.942 -4.815 -10.139 1.00 21.51 C ATOM 1459 C LYS A 87 -7.734 -3.502 -9.356 1.00 43.20 C ATOM 1460 O LYS A 87 -8.439 -3.253 -8.366 1.00 33.13 O ATOM 1461 CB LYS A 87 -9.260 -4.771 -10.960 1.00 10.15 C ATOM 1462 CG LYS A 87 -9.308 -3.687 -12.066 1.00 35.22 C ATOM 1463 CD LYS A 87 -10.644 -3.704 -12.857 1.00 52.32 C ATOM 1464 CE LYS A 87 -11.867 -3.425 -11.961 1.00 21.41 C ATOM 1465 NZ LYS A 87 -13.138 -3.430 -12.738 1.00 71.24 N ATOM 0 H LYS A 87 -8.932 -6.233 -8.953 1.00 4.31 H new ATOM 0 HA LYS A 87 -7.102 -4.929 -10.824 1.00 21.51 H new ATOM 0 HB2 LYS A 87 -9.415 -5.746 -11.421 1.00 10.15 H new ATOM 0 HB3 LYS A 87 -10.092 -4.606 -10.275 1.00 10.15 H new ATOM 0 HG2 LYS A 87 -9.170 -2.705 -11.614 1.00 35.22 H new ATOM 0 HG3 LYS A 87 -8.479 -3.840 -12.757 1.00 35.22 H new ATOM 0 HD2 LYS A 87 -10.602 -2.958 -13.650 1.00 52.32 H new ATOM 0 HD3 LYS A 87 -10.765 -4.675 -13.338 1.00 52.32 H new ATOM 0 HE2 LYS A 87 -11.920 -4.177 -11.174 1.00 21.41 H new ATOM 0 HE3 LYS A 87 -11.745 -2.459 -11.471 1.00 21.41 H new ATOM 0 HZ1 LYS A 87 -13.936 -3.239 -12.099 1.00 71.24 H new ATOM 0 HZ2 LYS A 87 -13.099 -2.695 -13.473 1.00 71.24 H new ATOM 0 HZ3 LYS A 87 -13.268 -4.360 -13.185 1.00 71.24 H new ATOM 1479 N TYR A 88 -6.795 -2.664 -9.858 1.00 21.13 N ATOM 1480 CA TYR A 88 -6.314 -1.438 -9.184 1.00 23.40 C ATOM 1481 C TYR A 88 -5.557 -1.767 -7.872 1.00 54.35 C ATOM 1482 O TYR A 88 -6.156 -1.824 -6.787 1.00 34.23 O ATOM 1483 CB TYR A 88 -7.442 -0.385 -8.947 1.00 32.05 C ATOM 1484 CG TYR A 88 -7.732 0.511 -10.163 1.00 42.50 C ATOM 1485 CD1 TYR A 88 -6.847 1.538 -10.514 1.00 34.22 C ATOM 1486 CD2 TYR A 88 -8.872 0.342 -10.953 1.00 10.00 C ATOM 1487 CE1 TYR A 88 -7.092 2.356 -11.596 1.00 21.30 C ATOM 1488 CE2 TYR A 88 -9.119 1.164 -12.035 1.00 10.24 C ATOM 1489 CZ TYR A 88 -8.227 2.167 -12.353 1.00 10.34 C ATOM 1490 OH TYR A 88 -8.479 2.993 -13.424 1.00 43.04 O ATOM 0 H TYR A 88 -6.344 -2.826 -10.758 1.00 21.13 H new ATOM 0 HA TYR A 88 -5.606 -0.974 -9.871 1.00 23.40 H new ATOM 0 HB2 TYR A 88 -8.357 -0.906 -8.667 1.00 32.05 H new ATOM 0 HB3 TYR A 88 -7.163 0.246 -8.103 1.00 32.05 H new ATOM 0 HD1 TYR A 88 -5.955 1.692 -9.925 1.00 34.22 H new ATOM 0 HD2 TYR A 88 -9.572 -0.445 -10.713 1.00 10.00 H new ATOM 0 HE1 TYR A 88 -6.396 3.142 -11.849 1.00 21.30 H new ATOM 0 HE2 TYR A 88 -10.009 1.022 -12.631 1.00 10.24 H new ATOM 0 HH TYR A 88 -9.319 2.726 -13.853 1.00 43.04 H new ATOM 1500 N PRO A 89 -4.219 -2.036 -7.966 1.00 71.21 N ATOM 1501 CA PRO A 89 -3.350 -2.146 -6.783 1.00 2.43 C ATOM 1502 C PRO A 89 -2.924 -0.775 -6.233 1.00 33.15 C ATOM 1503 O PRO A 89 -2.903 0.237 -6.957 1.00 62.53 O ATOM 1504 CB PRO A 89 -2.118 -2.903 -7.323 1.00 43.25 C ATOM 1505 CG PRO A 89 -2.035 -2.529 -8.770 1.00 10.10 C ATOM 1506 CD PRO A 89 -3.464 -2.299 -9.228 1.00 33.22 C ATOM 0 HA PRO A 89 -3.855 -2.642 -5.954 1.00 2.43 H new ATOM 0 HB2 PRO A 89 -1.213 -2.615 -6.789 1.00 43.25 H new ATOM 0 HB3 PRO A 89 -2.232 -3.980 -7.200 1.00 43.25 H new ATOM 0 HG2 PRO A 89 -1.433 -1.631 -8.906 1.00 10.10 H new ATOM 0 HG3 PRO A 89 -1.562 -3.321 -9.351 1.00 10.10 H new ATOM 0 HD2 PRO A 89 -3.531 -1.455 -9.914 1.00 33.22 H new ATOM 0 HD3 PRO A 89 -3.858 -3.169 -9.753 1.00 33.22 H new ATOM 1514 N PHE A 90 -2.589 -0.751 -4.944 1.00 61.41 N ATOM 1515 CA PHE A 90 -1.865 0.354 -4.325 1.00 31.35 C ATOM 1516 C PHE A 90 -0.521 -0.157 -3.787 1.00 2.20 C ATOM 1517 O PHE A 90 -0.190 -1.346 -3.906 1.00 34.03 O ATOM 1518 CB PHE A 90 -2.720 1.023 -3.217 1.00 42.44 C ATOM 1519 CG PHE A 90 -3.185 0.114 -2.068 1.00 71.01 C ATOM 1520 CD1 PHE A 90 -4.343 -0.665 -2.189 1.00 30.33 C ATOM 1521 CD2 PHE A 90 -2.484 0.058 -0.860 1.00 60.23 C ATOM 1522 CE1 PHE A 90 -4.780 -1.459 -1.142 1.00 70.22 C ATOM 1523 CE2 PHE A 90 -2.923 -0.740 0.181 1.00 62.42 C ATOM 1524 CZ PHE A 90 -4.068 -1.497 0.040 1.00 72.15 C ATOM 0 H PHE A 90 -2.815 -1.505 -4.296 1.00 61.41 H new ATOM 0 HA PHE A 90 -1.664 1.122 -5.072 1.00 31.35 H new ATOM 0 HB2 PHE A 90 -2.144 1.844 -2.791 1.00 42.44 H new ATOM 0 HB3 PHE A 90 -3.602 1.461 -3.684 1.00 42.44 H new ATOM 0 HD1 PHE A 90 -4.903 -0.646 -3.112 1.00 30.33 H new ATOM 0 HD2 PHE A 90 -1.587 0.646 -0.738 1.00 60.23 H new ATOM 0 HE1 PHE A 90 -5.678 -2.049 -1.250 1.00 70.22 H new ATOM 0 HE2 PHE A 90 -2.368 -0.771 1.107 1.00 62.42 H new ATOM 0 HZ PHE A 90 -4.407 -2.119 0.855 1.00 72.15 H new ATOM 1534 N GLN A 91 0.250 0.765 -3.228 1.00 72.44 N ATOM 1535 CA GLN A 91 1.588 0.515 -2.701 1.00 74.02 C ATOM 1536 C GLN A 91 1.748 1.221 -1.351 1.00 40.14 C ATOM 1537 O GLN A 91 1.204 2.314 -1.136 1.00 3.22 O ATOM 1538 CB GLN A 91 2.649 1.022 -3.715 1.00 1.11 C ATOM 1539 CG GLN A 91 2.446 2.487 -4.160 1.00 41.34 C ATOM 1540 CD GLN A 91 3.438 2.961 -5.212 1.00 3.43 C ATOM 1541 OE1 GLN A 91 4.596 2.544 -5.226 1.00 10.34 O ATOM 1542 NE2 GLN A 91 2.980 3.822 -6.110 1.00 20.01 N ATOM 0 H GLN A 91 -0.045 1.736 -3.125 1.00 72.44 H new ATOM 0 HA GLN A 91 1.732 -0.555 -2.553 1.00 74.02 H new ATOM 0 HB2 GLN A 91 3.639 0.923 -3.269 1.00 1.11 H new ATOM 0 HB3 GLN A 91 2.630 0.380 -4.596 1.00 1.11 H new ATOM 0 HG2 GLN A 91 1.435 2.599 -4.553 1.00 41.34 H new ATOM 0 HG3 GLN A 91 2.522 3.134 -3.286 1.00 41.34 H new ATOM 0 HE21 GLN A 91 2.013 4.143 -6.062 1.00 20.01 H new ATOM 0 HE22 GLN A 91 3.595 4.164 -6.849 1.00 20.01 H new ATOM 1551 N VAL A 92 2.492 0.575 -0.453 1.00 44.25 N ATOM 1552 CA VAL A 92 2.840 1.108 0.858 1.00 72.34 C ATOM 1553 C VAL A 92 4.369 1.196 0.923 1.00 25.14 C ATOM 1554 O VAL A 92 5.051 0.186 1.157 1.00 52.35 O ATOM 1555 CB VAL A 92 2.270 0.185 2.013 1.00 23.42 C ATOM 1556 CG1 VAL A 92 2.715 0.667 3.413 1.00 72.52 C ATOM 1557 CG2 VAL A 92 0.723 0.081 1.929 1.00 53.53 C ATOM 0 H VAL A 92 2.877 -0.354 -0.624 1.00 44.25 H new ATOM 0 HA VAL A 92 2.398 2.094 1.000 1.00 72.34 H new ATOM 0 HB VAL A 92 2.690 -0.810 1.866 1.00 23.42 H new ATOM 0 HG11 VAL A 92 2.301 0.005 4.174 1.00 72.52 H new ATOM 0 HG12 VAL A 92 3.803 0.654 3.473 1.00 72.52 H new ATOM 0 HG13 VAL A 92 2.354 1.682 3.580 1.00 72.52 H new ATOM 0 HG21 VAL A 92 0.357 -0.558 2.733 1.00 53.53 H new ATOM 0 HG22 VAL A 92 0.286 1.075 2.028 1.00 53.53 H new ATOM 0 HG23 VAL A 92 0.439 -0.347 0.968 1.00 53.53 H new ATOM 1567 N VAL A 93 4.912 2.402 0.691 1.00 10.41 N ATOM 1568 CA VAL A 93 6.351 2.645 0.796 1.00 45.15 C ATOM 1569 C VAL A 93 6.656 2.885 2.272 1.00 53.21 C ATOM 1570 O VAL A 93 6.418 3.979 2.787 1.00 4.02 O ATOM 1571 CB VAL A 93 6.858 3.880 -0.056 1.00 74.02 C ATOM 1572 CG1 VAL A 93 8.409 3.934 -0.068 1.00 21.34 C ATOM 1573 CG2 VAL A 93 6.279 3.864 -1.491 1.00 22.45 C ATOM 0 H VAL A 93 4.369 3.225 0.429 1.00 10.41 H new ATOM 0 HA VAL A 93 6.873 1.777 0.394 1.00 45.15 H new ATOM 0 HB VAL A 93 6.491 4.789 0.422 1.00 74.02 H new ATOM 0 HG11 VAL A 93 8.739 4.789 -0.658 1.00 21.34 H new ATOM 0 HG12 VAL A 93 8.777 4.034 0.953 1.00 21.34 H new ATOM 0 HG13 VAL A 93 8.802 3.017 -0.507 1.00 21.34 H new ATOM 0 HG21 VAL A 93 6.651 4.727 -2.043 1.00 22.45 H new ATOM 0 HG22 VAL A 93 6.587 2.949 -1.998 1.00 22.45 H new ATOM 0 HG23 VAL A 93 5.191 3.904 -1.445 1.00 22.45 H new ATOM 1583 N HIS A 94 7.128 1.835 2.949 1.00 32.23 N ATOM 1584 CA HIS A 94 7.536 1.899 4.359 1.00 42.11 C ATOM 1585 C HIS A 94 9.056 2.125 4.437 1.00 4.43 C ATOM 1586 O HIS A 94 9.715 2.257 3.395 1.00 63.15 O ATOM 1587 CB HIS A 94 7.083 0.623 5.132 1.00 5.03 C ATOM 1588 CG HIS A 94 7.617 -0.686 4.606 1.00 4.03 C ATOM 1589 ND1 HIS A 94 8.595 -1.409 5.252 1.00 20.24 N ATOM 1590 CD2 HIS A 94 7.279 -1.420 3.514 1.00 73.32 C ATOM 1591 CE1 HIS A 94 8.838 -2.515 4.581 1.00 72.43 C ATOM 1592 NE2 HIS A 94 8.056 -2.550 3.523 1.00 0.21 N ATOM 0 H HIS A 94 7.239 0.910 2.534 1.00 32.23 H new ATOM 0 HA HIS A 94 7.042 2.740 4.845 1.00 42.11 H new ATOM 0 HB2 HIS A 94 7.386 0.725 6.174 1.00 5.03 H new ATOM 0 HB3 HIS A 94 5.994 0.581 5.120 1.00 5.03 H new ATOM 0 HD2 HIS A 94 6.535 -1.161 2.775 1.00 73.32 H new ATOM 0 HE1 HIS A 94 9.561 -3.270 4.854 1.00 72.43 H new ATOM 0 HE2 HIS A 94 8.032 -3.294 2.826 1.00 0.21 H new ATOM 1601 N ASP A 95 9.582 2.167 5.675 1.00 53.22 N ATOM 1602 CA ASP A 95 10.990 2.507 5.996 1.00 11.42 C ATOM 1603 C ASP A 95 12.021 1.745 5.124 1.00 53.40 C ATOM 1604 O ASP A 95 12.955 2.359 4.589 1.00 72.13 O ATOM 1605 CB ASP A 95 11.237 2.255 7.509 1.00 62.13 C ATOM 1606 CG ASP A 95 12.704 2.487 7.934 1.00 32.02 C ATOM 1607 OD1 ASP A 95 13.139 3.659 7.982 1.00 15.20 O ATOM 1608 OD2 ASP A 95 13.424 1.497 8.205 1.00 34.30 O ATOM 0 H ASP A 95 9.028 1.960 6.506 1.00 53.22 H new ATOM 0 HA ASP A 95 11.139 3.561 5.763 1.00 11.42 H new ATOM 0 HB2 ASP A 95 10.589 2.911 8.090 1.00 62.13 H new ATOM 0 HB3 ASP A 95 10.953 1.231 7.751 1.00 62.13 H new ATOM 1613 N ALA A 96 11.820 0.425 4.969 1.00 15.34 N ATOM 1614 CA ALA A 96 12.733 -0.437 4.188 1.00 14.41 C ATOM 1615 C ALA A 96 12.506 -0.276 2.667 1.00 33.30 C ATOM 1616 O ALA A 96 13.226 0.479 2.014 1.00 44.24 O ATOM 1617 CB ALA A 96 12.589 -1.903 4.623 1.00 45.41 C ATOM 0 H ALA A 96 11.029 -0.074 5.376 1.00 15.34 H new ATOM 0 HA ALA A 96 13.755 -0.118 4.393 1.00 14.41 H new ATOM 0 HB1 ALA A 96 13.268 -2.524 4.039 1.00 45.41 H new ATOM 0 HB2 ALA A 96 12.834 -1.994 5.681 1.00 45.41 H new ATOM 0 HB3 ALA A 96 11.563 -2.232 4.458 1.00 45.41 H new ATOM 1623 N ASN A 97 11.485 -0.959 2.112 1.00 43.14 N ATOM 1624 CA ASN A 97 11.237 -0.991 0.652 1.00 13.31 C ATOM 1625 C ASN A 97 9.800 -0.570 0.318 1.00 23.30 C ATOM 1626 O ASN A 97 8.990 -0.311 1.219 1.00 52.43 O ATOM 1627 CB ASN A 97 11.542 -2.413 0.075 1.00 12.23 C ATOM 1628 CG ASN A 97 10.603 -3.534 0.570 1.00 73.14 C ATOM 1629 OD1 ASN A 97 10.059 -3.484 1.676 1.00 65.42 O ATOM 1630 ND2 ASN A 97 10.427 -4.571 -0.240 1.00 12.05 N ATOM 0 H ASN A 97 10.813 -1.500 2.656 1.00 43.14 H new ATOM 0 HA ASN A 97 11.910 -0.273 0.184 1.00 13.31 H new ATOM 0 HB2 ASN A 97 11.486 -2.367 -1.013 1.00 12.23 H new ATOM 0 HB3 ASN A 97 12.568 -2.680 0.330 1.00 12.23 H new ATOM 0 HD21 ASN A 97 9.832 -5.348 0.048 1.00 12.05 H new ATOM 0 HD22 ASN A 97 10.887 -4.591 -1.150 1.00 12.05 H new ATOM 1637 N THR A 98 9.508 -0.483 -0.987 1.00 21.01 N ATOM 1638 CA THR A 98 8.153 -0.248 -1.490 1.00 74.42 C ATOM 1639 C THR A 98 7.393 -1.592 -1.558 1.00 14.54 C ATOM 1640 O THR A 98 7.719 -2.470 -2.375 1.00 71.51 O ATOM 1641 CB THR A 98 8.181 0.441 -2.898 1.00 31.52 C ATOM 1642 OG1 THR A 98 8.933 1.666 -2.822 1.00 63.13 O ATOM 1643 CG2 THR A 98 6.761 0.741 -3.425 1.00 51.42 C ATOM 0 H THR A 98 10.208 -0.574 -1.723 1.00 21.01 H new ATOM 0 HA THR A 98 7.637 0.427 -0.806 1.00 74.42 H new ATOM 0 HB THR A 98 8.655 -0.251 -3.594 1.00 31.52 H new ATOM 0 HG1 THR A 98 9.796 1.549 -3.272 1.00 63.13 H new ATOM 0 HG21 THR A 98 6.829 1.218 -4.403 1.00 51.42 H new ATOM 0 HG22 THR A 98 6.202 -0.190 -3.514 1.00 51.42 H new ATOM 0 HG23 THR A 98 6.249 1.407 -2.731 1.00 51.42 H new ATOM 1651 N LEU A 99 6.420 -1.752 -0.650 1.00 22.10 N ATOM 1652 CA LEU A 99 5.503 -2.905 -0.637 1.00 53.21 C ATOM 1653 C LEU A 99 4.364 -2.635 -1.638 1.00 53.44 C ATOM 1654 O LEU A 99 3.994 -1.484 -1.841 1.00 1.00 O ATOM 1655 CB LEU A 99 4.927 -3.123 0.797 1.00 71.53 C ATOM 1656 CG LEU A 99 4.059 -4.408 1.001 1.00 31.53 C ATOM 1657 CD1 LEU A 99 4.895 -5.693 0.802 1.00 21.42 C ATOM 1658 CD2 LEU A 99 3.355 -4.402 2.381 1.00 1.11 C ATOM 0 H LEU A 99 6.245 -1.083 0.100 1.00 22.10 H new ATOM 0 HA LEU A 99 6.040 -3.809 -0.924 1.00 53.21 H new ATOM 0 HB2 LEU A 99 5.759 -3.156 1.500 1.00 71.53 H new ATOM 0 HB3 LEU A 99 4.322 -2.255 1.060 1.00 71.53 H new ATOM 0 HG LEU A 99 3.282 -4.401 0.236 1.00 31.53 H new ATOM 0 HD11 LEU A 99 4.260 -6.567 0.951 1.00 21.42 H new ATOM 0 HD12 LEU A 99 5.303 -5.709 -0.209 1.00 21.42 H new ATOM 0 HD13 LEU A 99 5.712 -5.711 1.523 1.00 21.42 H new ATOM 0 HD21 LEU A 99 2.760 -5.309 2.490 1.00 1.11 H new ATOM 0 HD22 LEU A 99 4.104 -4.362 3.172 1.00 1.11 H new ATOM 0 HD23 LEU A 99 2.704 -3.531 2.454 1.00 1.11 H new ATOM 1670 N TYR A 100 3.838 -3.687 -2.278 1.00 22.23 N ATOM 1671 CA TYR A 100 2.738 -3.573 -3.259 1.00 4.44 C ATOM 1672 C TYR A 100 1.576 -4.451 -2.814 1.00 61.14 C ATOM 1673 O TYR A 100 1.697 -5.683 -2.785 1.00 62.41 O ATOM 1674 CB TYR A 100 3.219 -3.978 -4.674 1.00 23.12 C ATOM 1675 CG TYR A 100 4.286 -3.034 -5.240 1.00 54.32 C ATOM 1676 CD1 TYR A 100 3.928 -1.883 -5.944 1.00 13.23 C ATOM 1677 CD2 TYR A 100 5.646 -3.276 -5.046 1.00 1.31 C ATOM 1678 CE1 TYR A 100 4.882 -1.024 -6.439 1.00 44.31 C ATOM 1679 CE2 TYR A 100 6.602 -2.420 -5.542 1.00 5.12 C ATOM 1680 CZ TYR A 100 6.217 -1.296 -6.233 1.00 35.35 C ATOM 1681 OH TYR A 100 7.178 -0.445 -6.719 1.00 31.11 O ATOM 0 H TYR A 100 4.160 -4.644 -2.134 1.00 22.23 H new ATOM 0 HA TYR A 100 2.407 -2.535 -3.307 1.00 4.44 H new ATOM 0 HB2 TYR A 100 3.620 -4.991 -4.639 1.00 23.12 H new ATOM 0 HB3 TYR A 100 2.364 -3.997 -5.350 1.00 23.12 H new ATOM 0 HD1 TYR A 100 2.883 -1.663 -6.103 1.00 13.23 H new ATOM 0 HD2 TYR A 100 5.955 -4.153 -4.496 1.00 1.31 H new ATOM 0 HE1 TYR A 100 4.586 -0.141 -6.986 1.00 44.31 H new ATOM 0 HE2 TYR A 100 7.650 -2.630 -5.389 1.00 5.12 H new ATOM 0 HH TYR A 100 6.868 -0.047 -7.559 1.00 31.11 H new ATOM 1691 N ILE A 101 0.464 -3.806 -2.442 1.00 1.31 N ATOM 1692 CA ILE A 101 -0.747 -4.488 -1.986 1.00 35.43 C ATOM 1693 C ILE A 101 -1.872 -4.275 -3.020 1.00 44.22 C ATOM 1694 O ILE A 101 -2.366 -3.157 -3.200 1.00 74.04 O ATOM 1695 CB ILE A 101 -1.200 -3.971 -0.570 1.00 43.41 C ATOM 1696 CG1 ILE A 101 -0.029 -4.039 0.464 1.00 75.22 C ATOM 1697 CG2 ILE A 101 -2.417 -4.778 -0.065 1.00 4.11 C ATOM 1698 CD1 ILE A 101 -0.365 -3.483 1.840 1.00 5.14 C ATOM 0 H ILE A 101 0.381 -2.789 -2.450 1.00 1.31 H new ATOM 0 HA ILE A 101 -0.531 -5.552 -1.892 1.00 35.43 H new ATOM 0 HB ILE A 101 -1.491 -2.926 -0.673 1.00 43.41 H new ATOM 0 HG12 ILE A 101 0.282 -5.078 0.573 1.00 75.22 H new ATOM 0 HG13 ILE A 101 0.824 -3.491 0.064 1.00 75.22 H new ATOM 0 HG21 ILE A 101 -2.718 -4.408 0.915 1.00 4.11 H new ATOM 0 HG22 ILE A 101 -3.245 -4.665 -0.765 1.00 4.11 H new ATOM 0 HG23 ILE A 101 -2.148 -5.832 0.012 1.00 4.11 H new ATOM 0 HD11 ILE A 101 0.505 -3.571 2.491 1.00 5.14 H new ATOM 0 HD12 ILE A 101 -0.646 -2.434 1.750 1.00 5.14 H new ATOM 0 HD13 ILE A 101 -1.196 -4.045 2.267 1.00 5.14 H new ATOM 1710 N PHE A 102 -2.249 -5.364 -3.697 1.00 72.44 N ATOM 1711 CA PHE A 102 -3.317 -5.399 -4.696 1.00 52.41 C ATOM 1712 C PHE A 102 -4.686 -5.455 -4.006 1.00 60.15 C ATOM 1713 O PHE A 102 -4.919 -6.309 -3.137 1.00 74.21 O ATOM 1714 CB PHE A 102 -3.110 -6.623 -5.638 1.00 45.13 C ATOM 1715 CG PHE A 102 -1.857 -6.528 -6.521 1.00 62.13 C ATOM 1716 CD1 PHE A 102 -0.574 -6.576 -5.966 1.00 24.24 C ATOM 1717 CD2 PHE A 102 -1.961 -6.366 -7.906 1.00 14.51 C ATOM 1718 CE1 PHE A 102 0.548 -6.466 -6.764 1.00 13.13 C ATOM 1719 CE2 PHE A 102 -0.836 -6.257 -8.701 1.00 2.25 C ATOM 1720 CZ PHE A 102 0.418 -6.309 -8.130 1.00 50.22 C ATOM 0 H PHE A 102 -1.805 -6.272 -3.559 1.00 72.44 H new ATOM 0 HA PHE A 102 -3.283 -4.490 -5.297 1.00 52.41 H new ATOM 0 HB2 PHE A 102 -3.048 -7.527 -5.033 1.00 45.13 H new ATOM 0 HB3 PHE A 102 -3.986 -6.728 -6.278 1.00 45.13 H new ATOM 0 HD1 PHE A 102 -0.459 -6.701 -4.899 1.00 24.24 H new ATOM 0 HD2 PHE A 102 -2.939 -6.325 -8.363 1.00 14.51 H new ATOM 0 HE1 PHE A 102 1.531 -6.503 -6.318 1.00 13.13 H new ATOM 0 HE2 PHE A 102 -0.939 -6.131 -9.769 1.00 2.25 H new ATOM 0 HZ PHE A 102 1.298 -6.227 -8.751 1.00 50.22 H new ATOM 1730 N ALA A 103 -5.582 -4.544 -4.399 1.00 43.44 N ATOM 1731 CA ALA A 103 -6.932 -4.445 -3.828 1.00 14.35 C ATOM 1732 C ALA A 103 -7.943 -5.085 -4.795 1.00 74.31 C ATOM 1733 O ALA A 103 -7.837 -4.854 -6.000 1.00 60.44 O ATOM 1734 CB ALA A 103 -7.286 -2.982 -3.555 1.00 73.24 C ATOM 0 H ALA A 103 -5.392 -3.852 -5.124 1.00 43.44 H new ATOM 0 HA ALA A 103 -6.966 -4.980 -2.879 1.00 14.35 H new ATOM 0 HB1 ALA A 103 -8.289 -2.923 -3.132 1.00 73.24 H new ATOM 0 HB2 ALA A 103 -6.570 -2.560 -2.850 1.00 73.24 H new ATOM 0 HB3 ALA A 103 -7.252 -2.419 -4.488 1.00 73.24 H new ATOM 1740 N PRO A 104 -8.947 -5.892 -4.287 1.00 43.02 N ATOM 1741 CA PRO A 104 -9.903 -6.663 -5.147 1.00 34.42 C ATOM 1742 C PRO A 104 -10.665 -5.786 -6.157 1.00 1.34 C ATOM 1743 O PRO A 104 -10.910 -6.192 -7.301 1.00 52.30 O ATOM 1744 CB PRO A 104 -10.869 -7.315 -4.112 1.00 42.32 C ATOM 1745 CG PRO A 104 -10.696 -6.507 -2.862 1.00 64.24 C ATOM 1746 CD PRO A 104 -9.241 -6.117 -2.845 1.00 3.34 C ATOM 0 HA PRO A 104 -9.385 -7.385 -5.778 1.00 34.42 H new ATOM 0 HB2 PRO A 104 -11.901 -7.286 -4.462 1.00 42.32 H new ATOM 0 HB3 PRO A 104 -10.619 -8.362 -3.943 1.00 42.32 H new ATOM 0 HG2 PRO A 104 -11.340 -5.627 -2.869 1.00 64.24 H new ATOM 0 HG3 PRO A 104 -10.959 -7.088 -1.978 1.00 64.24 H new ATOM 0 HD2 PRO A 104 -9.069 -5.219 -2.252 1.00 3.34 H new ATOM 0 HD3 PRO A 104 -8.616 -6.903 -2.422 1.00 3.34 H new ATOM 1754 N SER A 105 -10.998 -4.574 -5.720 1.00 44.41 N ATOM 1755 CA SER A 105 -11.748 -3.601 -6.515 1.00 2.12 C ATOM 1756 C SER A 105 -11.115 -2.204 -6.357 1.00 20.51 C ATOM 1757 O SER A 105 -10.418 -1.969 -5.368 1.00 41.42 O ATOM 1758 CB SER A 105 -13.219 -3.589 -6.032 1.00 24.31 C ATOM 1759 OG SER A 105 -13.312 -3.263 -4.655 1.00 43.40 O ATOM 0 H SER A 105 -10.752 -4.234 -4.790 1.00 44.41 H new ATOM 0 HA SER A 105 -11.718 -3.875 -7.570 1.00 2.12 H new ATOM 0 HB2 SER A 105 -13.789 -2.867 -6.617 1.00 24.31 H new ATOM 0 HB3 SER A 105 -13.668 -4.567 -6.207 1.00 24.31 H new ATOM 0 HG SER A 105 -14.176 -3.564 -4.305 1.00 43.40 H new ATOM 1765 N PRO A 106 -11.356 -1.245 -7.323 1.00 45.13 N ATOM 1766 CA PRO A 106 -11.067 0.206 -7.120 1.00 71.02 C ATOM 1767 C PRO A 106 -11.857 0.819 -5.933 1.00 54.40 C ATOM 1768 O PRO A 106 -11.530 1.918 -5.477 1.00 61.51 O ATOM 1769 CB PRO A 106 -11.487 0.857 -8.471 1.00 73.03 C ATOM 1770 CG PRO A 106 -12.382 -0.151 -9.128 1.00 43.13 C ATOM 1771 CD PRO A 106 -11.847 -1.498 -8.703 1.00 21.15 C ATOM 0 HA PRO A 106 -10.021 0.377 -6.863 1.00 71.02 H new ATOM 0 HB2 PRO A 106 -12.008 1.801 -8.309 1.00 73.03 H new ATOM 0 HB3 PRO A 106 -10.617 1.075 -9.091 1.00 73.03 H new ATOM 0 HG2 PRO A 106 -13.417 -0.022 -8.813 1.00 43.13 H new ATOM 0 HG3 PRO A 106 -12.364 -0.045 -10.213 1.00 43.13 H new ATOM 0 HD2 PRO A 106 -12.622 -2.264 -8.721 1.00 21.15 H new ATOM 0 HD3 PRO A 106 -11.047 -1.839 -9.359 1.00 21.15 H new ATOM 1779 N GLN A 107 -12.875 0.079 -5.438 1.00 14.11 N ATOM 1780 CA GLN A 107 -13.704 0.488 -4.291 1.00 21.04 C ATOM 1781 C GLN A 107 -12.911 0.277 -2.997 1.00 74.04 C ATOM 1782 O GLN A 107 -12.720 1.219 -2.207 1.00 70.03 O ATOM 1783 CB GLN A 107 -15.022 -0.329 -4.243 1.00 14.31 C ATOM 1784 CG GLN A 107 -15.925 -0.179 -5.485 1.00 41.31 C ATOM 1785 CD GLN A 107 -17.240 -0.956 -5.366 1.00 3.41 C ATOM 1786 OE1 GLN A 107 -17.762 -1.163 -4.271 1.00 24.22 O ATOM 1787 NE2 GLN A 107 -17.788 -1.382 -6.484 1.00 33.41 N ATOM 0 H GLN A 107 -13.143 -0.824 -5.829 1.00 14.11 H new ATOM 0 HA GLN A 107 -13.962 1.541 -4.399 1.00 21.04 H new ATOM 0 HB2 GLN A 107 -14.775 -1.383 -4.117 1.00 14.31 H new ATOM 0 HB3 GLN A 107 -15.588 -0.027 -3.362 1.00 14.31 H new ATOM 0 HG2 GLN A 107 -16.146 0.877 -5.641 1.00 41.31 H new ATOM 0 HG3 GLN A 107 -15.383 -0.525 -6.365 1.00 41.31 H new ATOM 0 HE21 GLN A 107 -17.333 -1.196 -7.378 1.00 33.41 H new ATOM 0 HE22 GLN A 107 -18.667 -1.898 -6.457 1.00 33.41 H new ATOM 1796 N SER A 108 -12.437 -0.980 -2.817 1.00 1.12 N ATOM 1797 CA SER A 108 -11.561 -1.371 -1.705 1.00 43.33 C ATOM 1798 C SER A 108 -10.279 -0.537 -1.740 1.00 22.13 C ATOM 1799 O SER A 108 -9.864 0.006 -0.727 1.00 63.41 O ATOM 1800 CB SER A 108 -11.225 -2.875 -1.799 1.00 71.20 C ATOM 1801 OG SER A 108 -12.406 -3.652 -1.901 1.00 61.20 O ATOM 0 H SER A 108 -12.658 -1.750 -3.448 1.00 1.12 H new ATOM 0 HA SER A 108 -12.076 -1.188 -0.762 1.00 43.33 H new ATOM 0 HB2 SER A 108 -10.590 -3.056 -2.666 1.00 71.20 H new ATOM 0 HB3 SER A 108 -10.659 -3.181 -0.919 1.00 71.20 H new ATOM 0 HG SER A 108 -12.748 -3.609 -2.819 1.00 61.20 H new ATOM 1807 N ARG A 109 -9.689 -0.436 -2.947 1.00 40.53 N ATOM 1808 CA ARG A 109 -8.497 0.385 -3.234 1.00 44.23 C ATOM 1809 C ARG A 109 -8.660 1.824 -2.733 1.00 35.41 C ATOM 1810 O ARG A 109 -7.830 2.296 -1.979 1.00 1.33 O ATOM 1811 CB ARG A 109 -8.223 0.377 -4.765 1.00 3.14 C ATOM 1812 CG ARG A 109 -6.966 1.176 -5.247 1.00 53.52 C ATOM 1813 CD ARG A 109 -7.310 2.272 -6.283 1.00 65.41 C ATOM 1814 NE ARG A 109 -7.967 3.450 -5.672 1.00 40.15 N ATOM 1815 CZ ARG A 109 -8.349 4.557 -6.342 1.00 41.35 C ATOM 1816 NH1 ARG A 109 -8.147 4.666 -7.648 1.00 1.12 N ATOM 1817 NH2 ARG A 109 -8.898 5.568 -5.692 1.00 73.21 N ATOM 0 H ARG A 109 -10.036 -0.934 -3.767 1.00 40.53 H new ATOM 0 HA ARG A 109 -7.650 -0.048 -2.703 1.00 44.23 H new ATOM 0 HB2 ARG A 109 -8.115 -0.658 -5.088 1.00 3.14 H new ATOM 0 HB3 ARG A 109 -9.100 0.780 -5.272 1.00 3.14 H new ATOM 0 HG2 ARG A 109 -6.482 1.636 -4.386 1.00 53.52 H new ATOM 0 HG3 ARG A 109 -6.247 0.483 -5.684 1.00 53.52 H new ATOM 0 HD2 ARG A 109 -6.397 2.591 -6.786 1.00 65.41 H new ATOM 0 HD3 ARG A 109 -7.964 1.852 -7.047 1.00 65.41 H new ATOM 0 HE ARG A 109 -8.144 3.422 -4.668 1.00 40.15 H new ATOM 0 HH11 ARG A 109 -7.697 3.907 -8.160 1.00 1.12 H new ATOM 0 HH12 ARG A 109 -8.441 5.509 -8.141 1.00 1.12 H new ATOM 0 HH21 ARG A 109 -9.033 5.512 -4.683 1.00 73.21 H new ATOM 0 HH22 ARG A 109 -9.186 6.404 -6.200 1.00 73.21 H new ATOM 1831 N ASP A 110 -9.755 2.489 -3.141 1.00 42.11 N ATOM 1832 CA ASP A 110 -10.002 3.909 -2.811 1.00 73.11 C ATOM 1833 C ASP A 110 -10.099 4.126 -1.299 1.00 3.41 C ATOM 1834 O ASP A 110 -9.524 5.081 -0.764 1.00 44.21 O ATOM 1835 CB ASP A 110 -11.284 4.438 -3.505 1.00 34.05 C ATOM 1836 CG ASP A 110 -11.516 5.941 -3.234 1.00 62.40 C ATOM 1837 OD1 ASP A 110 -10.680 6.760 -3.680 1.00 62.21 O ATOM 1838 OD2 ASP A 110 -12.509 6.305 -2.562 1.00 74.11 O ATOM 0 H ASP A 110 -10.491 2.063 -3.705 1.00 42.11 H new ATOM 0 HA ASP A 110 -9.148 4.473 -3.186 1.00 73.11 H new ATOM 0 HB2 ASP A 110 -11.208 4.272 -4.580 1.00 34.05 H new ATOM 0 HB3 ASP A 110 -12.146 3.870 -3.154 1.00 34.05 H new ATOM 1843 N LEU A 111 -10.804 3.210 -0.628 1.00 34.23 N ATOM 1844 CA LEU A 111 -11.018 3.273 0.818 1.00 71.44 C ATOM 1845 C LEU A 111 -9.688 3.047 1.576 1.00 13.21 C ATOM 1846 O LEU A 111 -9.364 3.812 2.474 1.00 64.24 O ATOM 1847 CB LEU A 111 -12.114 2.255 1.245 1.00 42.13 C ATOM 1848 CG LEU A 111 -12.591 2.342 2.733 1.00 12.45 C ATOM 1849 CD1 LEU A 111 -13.059 3.771 3.102 1.00 25.14 C ATOM 1850 CD2 LEU A 111 -13.700 1.300 3.023 1.00 34.22 C ATOM 0 H LEU A 111 -11.242 2.404 -1.074 1.00 34.23 H new ATOM 0 HA LEU A 111 -11.374 4.269 1.082 1.00 71.44 H new ATOM 0 HB2 LEU A 111 -12.981 2.392 0.598 1.00 42.13 H new ATOM 0 HB3 LEU A 111 -11.737 1.248 1.064 1.00 42.13 H new ATOM 0 HG LEU A 111 -11.734 2.108 3.364 1.00 12.45 H new ATOM 0 HD11 LEU A 111 -13.382 3.791 4.143 1.00 25.14 H new ATOM 0 HD12 LEU A 111 -12.234 4.471 2.965 1.00 25.14 H new ATOM 0 HD13 LEU A 111 -13.890 4.059 2.458 1.00 25.14 H new ATOM 0 HD21 LEU A 111 -14.013 1.382 4.064 1.00 34.22 H new ATOM 0 HD22 LEU A 111 -14.554 1.486 2.371 1.00 34.22 H new ATOM 0 HD23 LEU A 111 -13.314 0.297 2.838 1.00 34.22 H new ATOM 1862 N TRP A 112 -8.914 2.021 1.166 1.00 1.42 N ATOM 1863 CA TRP A 112 -7.598 1.697 1.775 1.00 43.10 C ATOM 1864 C TRP A 112 -6.561 2.817 1.577 1.00 42.13 C ATOM 1865 O TRP A 112 -5.933 3.236 2.546 1.00 61.31 O ATOM 1866 CB TRP A 112 -7.048 0.342 1.242 1.00 34.21 C ATOM 1867 CG TRP A 112 -7.617 -0.847 1.973 1.00 73.13 C ATOM 1868 CD1 TRP A 112 -8.690 -1.606 1.616 1.00 73.32 C ATOM 1869 CD2 TRP A 112 -7.145 -1.382 3.218 1.00 1.21 C ATOM 1870 NE1 TRP A 112 -8.924 -2.559 2.561 1.00 55.02 N ATOM 1871 CE2 TRP A 112 -7.984 -2.457 3.550 1.00 20.45 C ATOM 1872 CE3 TRP A 112 -6.094 -1.057 4.083 1.00 52.41 C ATOM 1873 CZ2 TRP A 112 -7.810 -3.212 4.705 1.00 31.34 C ATOM 1874 CZ3 TRP A 112 -5.922 -1.808 5.227 1.00 65.14 C ATOM 1875 CH2 TRP A 112 -6.774 -2.877 5.530 1.00 50.31 C ATOM 0 H TRP A 112 -9.178 1.393 0.407 1.00 1.42 H new ATOM 0 HA TRP A 112 -7.770 1.605 2.847 1.00 43.10 H new ATOM 0 HB2 TRP A 112 -7.278 0.254 0.180 1.00 34.21 H new ATOM 0 HB3 TRP A 112 -5.962 0.334 1.335 1.00 34.21 H new ATOM 0 HD1 TRP A 112 -9.271 -1.472 0.715 1.00 73.32 H new ATOM 0 HE1 TRP A 112 -9.681 -3.242 2.535 1.00 55.02 H new ATOM 0 HE3 TRP A 112 -5.431 -0.235 3.859 1.00 52.41 H new ATOM 0 HZ2 TRP A 112 -8.470 -4.034 4.941 1.00 31.34 H new ATOM 0 HZ3 TRP A 112 -5.114 -1.567 5.902 1.00 65.14 H new ATOM 0 HH2 TRP A 112 -6.609 -3.447 6.432 1.00 50.31 H new ATOM 1886 N VAL A 113 -6.396 3.287 0.323 1.00 43.14 N ATOM 1887 CA VAL A 113 -5.462 4.387 -0.019 1.00 30.00 C ATOM 1888 C VAL A 113 -5.808 5.641 0.802 1.00 34.12 C ATOM 1889 O VAL A 113 -4.917 6.280 1.359 1.00 34.42 O ATOM 1890 CB VAL A 113 -5.476 4.716 -1.567 1.00 50.35 C ATOM 1891 CG1 VAL A 113 -4.568 5.922 -1.925 1.00 32.24 C ATOM 1892 CG2 VAL A 113 -5.060 3.482 -2.387 1.00 41.33 C ATOM 0 H VAL A 113 -6.904 2.918 -0.481 1.00 43.14 H new ATOM 0 HA VAL A 113 -4.453 4.058 0.231 1.00 30.00 H new ATOM 0 HB VAL A 113 -6.500 4.991 -1.821 1.00 50.35 H new ATOM 0 HG11 VAL A 113 -4.614 6.106 -2.998 1.00 32.24 H new ATOM 0 HG12 VAL A 113 -4.912 6.808 -1.390 1.00 32.24 H new ATOM 0 HG13 VAL A 113 -3.540 5.701 -1.638 1.00 32.24 H new ATOM 0 HG21 VAL A 113 -5.076 3.728 -3.449 1.00 41.33 H new ATOM 0 HG22 VAL A 113 -4.054 3.177 -2.100 1.00 41.33 H new ATOM 0 HG23 VAL A 113 -5.756 2.665 -2.194 1.00 41.33 H new ATOM 1902 N LYS A 114 -7.119 5.932 0.916 1.00 45.41 N ATOM 1903 CA LYS A 114 -7.629 7.045 1.732 1.00 22.11 C ATOM 1904 C LYS A 114 -7.232 6.883 3.208 1.00 71.13 C ATOM 1905 O LYS A 114 -6.530 7.733 3.744 1.00 20.12 O ATOM 1906 CB LYS A 114 -9.171 7.160 1.593 1.00 2.20 C ATOM 1907 CG LYS A 114 -9.835 8.177 2.558 1.00 40.43 C ATOM 1908 CD LYS A 114 -11.297 8.501 2.177 1.00 43.25 C ATOM 1909 CE LYS A 114 -11.401 9.200 0.806 1.00 64.25 C ATOM 1910 NZ LYS A 114 -10.616 10.466 0.753 1.00 73.20 N ATOM 0 H LYS A 114 -7.851 5.401 0.444 1.00 45.41 H new ATOM 0 HA LYS A 114 -7.176 7.965 1.363 1.00 22.11 H new ATOM 0 HB2 LYS A 114 -9.410 7.443 0.568 1.00 2.20 H new ATOM 0 HB3 LYS A 114 -9.612 6.178 1.763 1.00 2.20 H new ATOM 0 HG2 LYS A 114 -9.809 7.778 3.572 1.00 40.43 H new ATOM 0 HG3 LYS A 114 -9.253 9.099 2.563 1.00 40.43 H new ATOM 0 HD2 LYS A 114 -11.878 7.579 2.158 1.00 43.25 H new ATOM 0 HD3 LYS A 114 -11.737 9.140 2.943 1.00 43.25 H new ATOM 0 HE2 LYS A 114 -11.047 8.523 0.028 1.00 64.25 H new ATOM 0 HE3 LYS A 114 -12.447 9.415 0.589 1.00 64.25 H new ATOM 0 HZ1 LYS A 114 -10.849 10.983 -0.119 1.00 73.20 H new ATOM 0 HZ2 LYS A 114 -10.850 11.055 1.578 1.00 73.20 H new ATOM 0 HZ3 LYS A 114 -9.600 10.245 0.763 1.00 73.20 H new ATOM 1924 N LYS A 115 -7.654 5.763 3.826 1.00 22.22 N ATOM 1925 CA LYS A 115 -7.465 5.506 5.268 1.00 21.54 C ATOM 1926 C LYS A 115 -5.978 5.558 5.667 1.00 12.33 C ATOM 1927 O LYS A 115 -5.619 6.238 6.632 1.00 2.20 O ATOM 1928 CB LYS A 115 -8.096 4.140 5.673 1.00 11.41 C ATOM 1929 CG LYS A 115 -9.641 4.083 5.575 1.00 15.33 C ATOM 1930 CD LYS A 115 -10.333 5.160 6.445 1.00 53.11 C ATOM 1931 CE LYS A 115 -11.866 5.037 6.453 1.00 31.30 C ATOM 1932 NZ LYS A 115 -12.479 5.951 7.455 1.00 31.15 N ATOM 0 H LYS A 115 -8.137 5.009 3.338 1.00 22.22 H new ATOM 0 HA LYS A 115 -7.978 6.300 5.811 1.00 21.54 H new ATOM 0 HB2 LYS A 115 -7.677 3.360 5.038 1.00 11.41 H new ATOM 0 HB3 LYS A 115 -7.802 3.910 6.697 1.00 11.41 H new ATOM 0 HG2 LYS A 115 -9.940 4.214 4.535 1.00 15.33 H new ATOM 0 HG3 LYS A 115 -9.985 3.096 5.884 1.00 15.33 H new ATOM 0 HD2 LYS A 115 -9.963 5.085 7.468 1.00 53.11 H new ATOM 0 HD3 LYS A 115 -10.056 6.148 6.078 1.00 53.11 H new ATOM 0 HE2 LYS A 115 -12.256 5.267 5.462 1.00 31.30 H new ATOM 0 HE3 LYS A 115 -12.149 4.008 6.676 1.00 31.30 H new ATOM 0 HZ1 LYS A 115 -13.513 5.844 7.435 1.00 31.15 H new ATOM 0 HZ2 LYS A 115 -12.124 5.714 8.404 1.00 31.15 H new ATOM 0 HZ3 LYS A 115 -12.228 6.934 7.227 1.00 31.15 H new ATOM 1946 N LEU A 116 -5.132 4.875 4.874 1.00 61.44 N ATOM 1947 CA LEU A 116 -3.677 4.818 5.093 1.00 74.51 C ATOM 1948 C LEU A 116 -3.045 6.229 5.027 1.00 53.42 C ATOM 1949 O LEU A 116 -2.338 6.621 5.950 1.00 12.24 O ATOM 1950 CB LEU A 116 -3.017 3.851 4.063 1.00 11.03 C ATOM 1951 CG LEU A 116 -3.334 2.324 4.244 1.00 60.11 C ATOM 1952 CD1 LEU A 116 -2.847 1.497 3.032 1.00 72.43 C ATOM 1953 CD2 LEU A 116 -2.729 1.777 5.557 1.00 52.03 C ATOM 0 H LEU A 116 -5.441 4.345 4.059 1.00 61.44 H new ATOM 0 HA LEU A 116 -3.493 4.430 6.095 1.00 74.51 H new ATOM 0 HB2 LEU A 116 -3.331 4.150 3.063 1.00 11.03 H new ATOM 0 HB3 LEU A 116 -1.936 3.985 4.111 1.00 11.03 H new ATOM 0 HG LEU A 116 -4.418 2.224 4.303 1.00 60.11 H new ATOM 0 HD11 LEU A 116 -3.083 0.445 3.191 1.00 72.43 H new ATOM 0 HD12 LEU A 116 -3.345 1.848 2.128 1.00 72.43 H new ATOM 0 HD13 LEU A 116 -1.769 1.615 2.921 1.00 72.43 H new ATOM 0 HD21 LEU A 116 -2.966 0.717 5.653 1.00 52.03 H new ATOM 0 HD22 LEU A 116 -1.647 1.907 5.541 1.00 52.03 H new ATOM 0 HD23 LEU A 116 -3.147 2.321 6.404 1.00 52.03 H new ATOM 1965 N LYS A 117 -3.323 6.982 3.935 1.00 53.52 N ATOM 1966 CA LYS A 117 -2.838 8.379 3.759 1.00 31.23 C ATOM 1967 C LYS A 117 -3.318 9.332 4.878 1.00 1.12 C ATOM 1968 O LYS A 117 -2.545 10.177 5.336 1.00 2.14 O ATOM 1969 CB LYS A 117 -3.208 8.928 2.349 1.00 24.33 C ATOM 1970 CG LYS A 117 -2.482 8.187 1.198 1.00 12.21 C ATOM 1971 CD LYS A 117 -2.874 8.688 -0.218 1.00 22.14 C ATOM 1972 CE LYS A 117 -2.310 10.073 -0.558 1.00 34.41 C ATOM 1973 NZ LYS A 117 -2.701 10.514 -1.925 1.00 21.14 N ATOM 0 H LYS A 117 -3.886 6.644 3.154 1.00 53.52 H new ATOM 0 HA LYS A 117 -1.752 8.341 3.838 1.00 31.23 H new ATOM 0 HB2 LYS A 117 -4.285 8.844 2.204 1.00 24.33 H new ATOM 0 HB3 LYS A 117 -2.962 9.989 2.303 1.00 24.33 H new ATOM 0 HG2 LYS A 117 -1.406 8.300 1.328 1.00 12.21 H new ATOM 0 HG3 LYS A 117 -2.701 7.122 1.269 1.00 12.21 H new ATOM 0 HD2 LYS A 117 -2.522 7.970 -0.959 1.00 22.14 H new ATOM 0 HD3 LYS A 117 -3.961 8.719 -0.295 1.00 22.14 H new ATOM 0 HE2 LYS A 117 -2.666 10.799 0.173 1.00 34.41 H new ATOM 0 HE3 LYS A 117 -1.223 10.051 -0.481 1.00 34.41 H new ATOM 0 HZ1 LYS A 117 -2.328 11.468 -2.102 1.00 21.14 H new ATOM 0 HZ2 LYS A 117 -2.311 9.854 -2.628 1.00 21.14 H new ATOM 0 HZ3 LYS A 117 -3.738 10.528 -2.002 1.00 21.14 H new ATOM 1987 N GLU A 118 -4.576 9.170 5.330 1.00 11.51 N ATOM 1988 CA GLU A 118 -5.157 10.003 6.414 1.00 4.25 C ATOM 1989 C GLU A 118 -4.525 9.703 7.787 1.00 21.14 C ATOM 1990 O GLU A 118 -4.571 10.550 8.688 1.00 31.14 O ATOM 1991 CB GLU A 118 -6.703 9.833 6.480 1.00 0.54 C ATOM 1992 CG GLU A 118 -7.454 10.323 5.232 1.00 41.21 C ATOM 1993 CD GLU A 118 -7.186 11.805 4.898 1.00 71.12 C ATOM 1994 OE1 GLU A 118 -7.673 12.687 5.647 1.00 25.41 O ATOM 1995 OE2 GLU A 118 -6.485 12.090 3.899 1.00 31.01 O ATOM 0 H GLU A 118 -5.217 8.467 4.962 1.00 11.51 H new ATOM 0 HA GLU A 118 -4.927 11.040 6.170 1.00 4.25 H new ATOM 0 HB2 GLU A 118 -6.933 8.779 6.636 1.00 0.54 H new ATOM 0 HB3 GLU A 118 -7.078 10.373 7.349 1.00 0.54 H new ATOM 0 HG2 GLU A 118 -7.166 9.708 4.379 1.00 41.21 H new ATOM 0 HG3 GLU A 118 -8.524 10.180 5.381 1.00 41.21 H new ATOM 2002 N GLU A 119 -3.958 8.504 7.949 1.00 44.21 N ATOM 2003 CA GLU A 119 -3.230 8.139 9.173 1.00 10.13 C ATOM 2004 C GLU A 119 -1.773 8.621 9.099 1.00 42.31 C ATOM 2005 O GLU A 119 -1.274 9.257 10.036 1.00 63.40 O ATOM 2006 CB GLU A 119 -3.309 6.607 9.426 1.00 23.53 C ATOM 2007 CG GLU A 119 -4.736 6.063 9.661 1.00 32.34 C ATOM 2008 CD GLU A 119 -5.514 6.811 10.767 1.00 2.12 C ATOM 2009 OE1 GLU A 119 -5.358 6.469 11.954 1.00 31.01 O ATOM 2010 OE2 GLU A 119 -6.289 7.749 10.458 1.00 72.13 O ATOM 0 H GLU A 119 -3.988 7.765 7.246 1.00 44.21 H new ATOM 0 HA GLU A 119 -3.704 8.638 10.019 1.00 10.13 H new ATOM 0 HB2 GLU A 119 -2.874 6.089 8.572 1.00 23.53 H new ATOM 0 HB3 GLU A 119 -2.695 6.364 10.293 1.00 23.53 H new ATOM 0 HG2 GLU A 119 -5.297 6.126 8.729 1.00 32.34 H new ATOM 0 HG3 GLU A 119 -4.674 5.007 9.924 1.00 32.34 H new ATOM 2017 N ILE A 120 -1.100 8.365 7.962 1.00 64.24 N ATOM 2018 CA ILE A 120 0.327 8.701 7.800 1.00 14.35 C ATOM 2019 C ILE A 120 0.544 10.217 7.608 1.00 74.13 C ATOM 2020 O ILE A 120 1.676 10.682 7.694 1.00 41.23 O ATOM 2021 CB ILE A 120 1.014 7.907 6.615 1.00 44.12 C ATOM 2022 CG1 ILE A 120 0.514 8.406 5.221 1.00 0.52 C ATOM 2023 CG2 ILE A 120 0.788 6.382 6.778 1.00 65.43 C ATOM 2024 CD1 ILE A 120 1.174 7.749 4.017 1.00 4.55 C ATOM 0 H ILE A 120 -1.521 7.927 7.143 1.00 64.24 H new ATOM 0 HA ILE A 120 0.806 8.393 8.730 1.00 14.35 H new ATOM 0 HB ILE A 120 2.086 8.101 6.661 1.00 44.12 H new ATOM 0 HG12 ILE A 120 -0.562 8.241 5.159 1.00 0.52 H new ATOM 0 HG13 ILE A 120 0.675 9.482 5.160 1.00 0.52 H new ATOM 0 HG21 ILE A 120 1.267 5.853 5.954 1.00 65.43 H new ATOM 0 HG22 ILE A 120 1.219 6.049 7.722 1.00 65.43 H new ATOM 0 HG23 ILE A 120 -0.281 6.170 6.772 1.00 65.43 H new ATOM 0 HD11 ILE A 120 0.756 8.166 3.101 1.00 4.55 H new ATOM 0 HD12 ILE A 120 2.248 7.935 4.044 1.00 4.55 H new ATOM 0 HD13 ILE A 120 0.991 6.675 4.043 1.00 4.55 H new ATOM 2036 N LYS A 121 -0.550 10.996 7.398 1.00 54.12 N ATOM 2037 CA LYS A 121 -0.445 12.463 7.192 1.00 12.24 C ATOM 2038 C LYS A 121 -0.080 13.190 8.501 1.00 70.23 C ATOM 2039 O LYS A 121 0.288 14.369 8.485 1.00 43.34 O ATOM 2040 CB LYS A 121 -1.741 13.062 6.557 1.00 61.42 C ATOM 2041 CG LYS A 121 -2.978 13.189 7.481 1.00 55.14 C ATOM 2042 CD LYS A 121 -4.168 13.893 6.766 1.00 52.41 C ATOM 2043 CE LYS A 121 -5.355 14.194 7.705 1.00 72.24 C ATOM 2044 NZ LYS A 121 -6.034 12.964 8.179 1.00 42.10 N ATOM 0 H LYS A 121 -1.504 10.636 7.367 1.00 54.12 H new ATOM 0 HA LYS A 121 0.365 12.625 6.481 1.00 12.24 H new ATOM 0 HB2 LYS A 121 -1.503 14.053 6.170 1.00 61.42 H new ATOM 0 HB3 LYS A 121 -2.017 12.444 5.703 1.00 61.42 H new ATOM 0 HG2 LYS A 121 -3.288 12.197 7.811 1.00 55.14 H new ATOM 0 HG3 LYS A 121 -2.707 13.752 8.374 1.00 55.14 H new ATOM 0 HD2 LYS A 121 -3.817 14.826 6.325 1.00 52.41 H new ATOM 0 HD3 LYS A 121 -4.513 13.263 5.946 1.00 52.41 H new ATOM 0 HE2 LYS A 121 -4.999 14.762 8.564 1.00 72.24 H new ATOM 0 HE3 LYS A 121 -6.075 14.824 7.183 1.00 72.24 H new ATOM 0 HZ1 LYS A 121 -6.551 13.170 9.058 1.00 42.10 H new ATOM 0 HZ2 LYS A 121 -6.702 12.634 7.453 1.00 42.10 H new ATOM 0 HZ3 LYS A 121 -5.326 12.224 8.359 1.00 42.10 H new ATOM 2058 N ASN A 122 -0.189 12.465 9.629 1.00 2.41 N ATOM 2059 CA ASN A 122 0.234 12.944 10.960 1.00 11.15 C ATOM 2060 C ASN A 122 1.757 12.784 11.149 1.00 44.42 C ATOM 2061 O ASN A 122 2.344 13.429 12.021 1.00 63.15 O ATOM 2062 CB ASN A 122 -0.532 12.173 12.068 1.00 41.42 C ATOM 2063 CG ASN A 122 -2.056 12.316 11.968 1.00 63.31 C ATOM 2064 OD1 ASN A 122 -2.573 13.329 11.490 1.00 72.31 O ATOM 2065 ND2 ASN A 122 -2.785 11.308 12.423 1.00 63.32 N ATOM 0 H ASN A 122 -0.576 11.522 9.644 1.00 2.41 H new ATOM 0 HA ASN A 122 -0.004 14.005 11.035 1.00 11.15 H new ATOM 0 HB2 ASN A 122 -0.269 11.117 12.013 1.00 41.42 H new ATOM 0 HB3 ASN A 122 -0.204 12.533 13.043 1.00 41.42 H new ATOM 0 HD21 ASN A 122 -3.803 11.356 12.384 1.00 63.32 H new ATOM 0 HD22 ASN A 122 -2.328 10.483 12.813 1.00 63.32 H new ATOM 2072 N ASN A 123 2.378 11.925 10.317 1.00 44.22 N ATOM 2073 CA ASN A 123 3.832 11.642 10.361 1.00 43.41 C ATOM 2074 C ASN A 123 4.617 12.734 9.619 1.00 20.10 C ATOM 2075 O ASN A 123 4.048 13.505 8.834 1.00 65.01 O ATOM 2076 CB ASN A 123 4.152 10.261 9.717 1.00 74.24 C ATOM 2077 CG ASN A 123 3.319 9.114 10.285 1.00 12.32 C ATOM 2078 OD1 ASN A 123 2.899 9.129 11.446 1.00 13.43 O ATOM 2079 ND2 ASN A 123 3.084 8.105 9.467 1.00 42.23 N ATOM 0 H ASN A 123 1.886 11.404 9.591 1.00 44.22 H new ATOM 0 HA ASN A 123 4.131 11.625 11.409 1.00 43.41 H new ATOM 0 HB2 ASN A 123 3.984 10.323 8.642 1.00 74.24 H new ATOM 0 HB3 ASN A 123 5.209 10.038 9.862 1.00 74.24 H new ATOM 0 HD21 ASN A 123 2.540 7.304 9.788 1.00 42.23 H new ATOM 0 HD22 ASN A 123 3.447 8.126 8.514 1.00 42.23 H new ATOM 2086 N ASN A 124 5.936 12.766 9.863 1.00 32.23 N ATOM 2087 CA ASN A 124 6.876 13.707 9.213 1.00 13.13 C ATOM 2088 C ASN A 124 7.809 12.930 8.260 1.00 34.23 C ATOM 2089 O ASN A 124 8.849 13.441 7.839 1.00 30.32 O ATOM 2090 CB ASN A 124 7.700 14.469 10.299 1.00 72.22 C ATOM 2091 CG ASN A 124 6.828 15.212 11.320 1.00 34.23 C ATOM 2092 OD1 ASN A 124 5.709 15.627 11.022 1.00 4.40 O ATOM 2093 ND2 ASN A 124 7.344 15.410 12.519 1.00 74.34 N ATOM 0 H ASN A 124 6.390 12.135 10.523 1.00 32.23 H new ATOM 0 HA ASN A 124 6.317 14.440 8.631 1.00 13.13 H new ATOM 0 HB2 ASN A 124 8.337 13.758 10.826 1.00 72.22 H new ATOM 0 HB3 ASN A 124 8.360 15.184 9.808 1.00 72.22 H new ATOM 0 HD21 ASN A 124 6.812 15.918 13.226 1.00 74.34 H new ATOM 0 HD22 ASN A 124 8.274 15.055 12.739 1.00 74.34 H new ATOM 2100 N ASN A 125 7.384 11.705 7.888 1.00 22.15 N ATOM 2101 CA ASN A 125 8.171 10.769 7.050 1.00 22.53 C ATOM 2102 C ASN A 125 7.762 10.879 5.572 1.00 65.34 C ATOM 2103 O ASN A 125 8.252 10.120 4.729 1.00 5.12 O ATOM 2104 CB ASN A 125 7.955 9.305 7.540 1.00 32.23 C ATOM 2105 CG ASN A 125 8.390 9.060 8.992 1.00 3.14 C ATOM 2106 OD1 ASN A 125 8.266 9.928 9.864 1.00 41.30 O ATOM 2107 ND2 ASN A 125 8.916 7.880 9.262 1.00 61.55 N ATOM 0 H ASN A 125 6.475 11.331 8.163 1.00 22.15 H new ATOM 0 HA ASN A 125 9.224 11.035 7.142 1.00 22.53 H new ATOM 0 HB2 ASN A 125 6.899 9.052 7.440 1.00 32.23 H new ATOM 0 HB3 ASN A 125 8.508 8.629 6.887 1.00 32.23 H new ATOM 0 HD21 ASN A 125 9.231 7.667 10.208 1.00 61.55 H new ATOM 0 HD22 ASN A 125 9.007 7.181 8.524 1.00 61.55 H new ATOM 2114 N ILE A 126 6.916 11.872 5.266 1.00 10.33 N ATOM 2115 CA ILE A 126 6.226 11.970 3.980 1.00 11.41 C ATOM 2116 C ILE A 126 7.200 12.468 2.905 1.00 70.43 C ATOM 2117 O ILE A 126 7.617 13.636 2.934 1.00 13.54 O ATOM 2118 CB ILE A 126 4.989 12.941 4.066 1.00 4.14 C ATOM 2119 CG1 ILE A 126 4.031 12.528 5.239 1.00 41.25 C ATOM 2120 CG2 ILE A 126 4.230 12.993 2.712 1.00 71.30 C ATOM 2121 CD1 ILE A 126 3.412 11.146 5.099 1.00 21.24 C ATOM 0 H ILE A 126 6.692 12.632 5.909 1.00 10.33 H new ATOM 0 HA ILE A 126 5.861 10.977 3.716 1.00 11.41 H new ATOM 0 HB ILE A 126 5.360 13.944 4.278 1.00 4.14 H new ATOM 0 HG12 ILE A 126 4.587 12.569 6.175 1.00 41.25 H new ATOM 0 HG13 ILE A 126 3.230 13.264 5.312 1.00 41.25 H new ATOM 0 HG21 ILE A 126 3.380 13.670 2.797 1.00 71.30 H new ATOM 0 HG22 ILE A 126 4.902 13.350 1.932 1.00 71.30 H new ATOM 0 HG23 ILE A 126 3.874 11.995 2.456 1.00 71.30 H new ATOM 0 HD11 ILE A 126 2.766 10.948 5.955 1.00 21.24 H new ATOM 0 HD12 ILE A 126 2.824 11.102 4.182 1.00 21.24 H new ATOM 0 HD13 ILE A 126 4.202 10.396 5.059 1.00 21.24 H new ATOM 2133 N MET A 127 7.582 11.562 1.988 1.00 63.11 N ATOM 2134 CA MET A 127 8.422 11.903 0.834 1.00 43.31 C ATOM 2135 C MET A 127 7.613 12.741 -0.157 1.00 11.04 C ATOM 2136 O MET A 127 6.397 12.549 -0.307 1.00 4.21 O ATOM 2137 CB MET A 127 8.945 10.632 0.118 1.00 71.34 C ATOM 2138 CG MET A 127 9.781 9.691 0.988 1.00 61.02 C ATOM 2139 SD MET A 127 10.378 8.251 0.063 1.00 10.34 S ATOM 2140 CE MET A 127 8.844 7.534 -0.540 1.00 15.13 C ATOM 0 H MET A 127 7.317 10.578 2.028 1.00 63.11 H new ATOM 0 HA MET A 127 9.280 12.469 1.197 1.00 43.31 H new ATOM 0 HB2 MET A 127 8.092 10.078 -0.273 1.00 71.34 H new ATOM 0 HB3 MET A 127 9.545 10.938 -0.739 1.00 71.34 H new ATOM 0 HG2 MET A 127 10.632 10.237 1.396 1.00 61.02 H new ATOM 0 HG3 MET A 127 9.183 9.354 1.834 1.00 61.02 H new ATOM 0 HE1 MET A 127 9.066 6.789 -1.304 1.00 15.13 H new ATOM 0 HE2 MET A 127 8.315 7.059 0.286 1.00 15.13 H new ATOM 0 HE3 MET A 127 8.219 8.318 -0.968 1.00 15.13 H new ATOM 2150 N ILE A 128 8.304 13.661 -0.820 1.00 65.02 N ATOM 2151 CA ILE A 128 7.725 14.504 -1.881 1.00 4.51 C ATOM 2152 C ILE A 128 7.645 13.706 -3.208 1.00 24.10 C ATOM 2153 O ILE A 128 7.039 14.157 -4.171 1.00 54.33 O ATOM 2154 CB ILE A 128 8.584 15.825 -2.051 1.00 55.51 C ATOM 2155 CG1 ILE A 128 8.779 16.516 -0.660 1.00 51.21 C ATOM 2156 CG2 ILE A 128 7.941 16.817 -3.066 1.00 51.24 C ATOM 2157 CD1 ILE A 128 9.694 17.722 -0.676 1.00 63.41 C ATOM 0 H ILE A 128 9.290 13.851 -0.641 1.00 65.02 H new ATOM 0 HA ILE A 128 6.712 14.794 -1.602 1.00 4.51 H new ATOM 0 HB ILE A 128 9.555 15.539 -2.454 1.00 55.51 H new ATOM 0 HG12 ILE A 128 7.804 16.822 -0.281 1.00 51.21 H new ATOM 0 HG13 ILE A 128 9.178 15.783 0.042 1.00 51.21 H new ATOM 0 HG21 ILE A 128 8.565 17.707 -3.150 1.00 51.24 H new ATOM 0 HG22 ILE A 128 7.860 16.338 -4.042 1.00 51.24 H new ATOM 0 HG23 ILE A 128 6.948 17.101 -2.718 1.00 51.24 H new ATOM 0 HD11 ILE A 128 9.769 18.135 0.330 1.00 63.41 H new ATOM 0 HD12 ILE A 128 10.684 17.423 -1.021 1.00 63.41 H new ATOM 0 HD13 ILE A 128 9.288 18.478 -1.349 1.00 63.41 H new ATOM 2169 N LYS A 129 8.290 12.519 -3.247 1.00 52.41 N ATOM 2170 CA LYS A 129 8.341 11.621 -4.432 1.00 21.54 C ATOM 2171 C LYS A 129 7.871 10.185 -4.067 1.00 0.41 C ATOM 2172 O LYS A 129 7.944 9.777 -2.903 1.00 23.02 O ATOM 2173 CB LYS A 129 9.801 11.569 -5.002 1.00 72.22 C ATOM 2174 CG LYS A 129 10.209 12.669 -6.018 1.00 71.31 C ATOM 2175 CD LYS A 129 10.118 14.105 -5.466 1.00 13.23 C ATOM 2176 CE LYS A 129 10.834 15.130 -6.354 1.00 2.21 C ATOM 2177 NZ LYS A 129 10.321 15.134 -7.748 1.00 71.24 N ATOM 0 H LYS A 129 8.799 12.148 -2.445 1.00 52.41 H new ATOM 0 HA LYS A 129 7.667 12.022 -5.189 1.00 21.54 H new ATOM 0 HB2 LYS A 129 10.493 11.613 -4.161 1.00 72.22 H new ATOM 0 HB3 LYS A 129 9.942 10.600 -5.480 1.00 72.22 H new ATOM 0 HG2 LYS A 129 11.231 12.483 -6.347 1.00 71.31 H new ATOM 0 HG3 LYS A 129 9.571 12.589 -6.898 1.00 71.31 H new ATOM 0 HD2 LYS A 129 9.069 14.386 -5.368 1.00 13.23 H new ATOM 0 HD3 LYS A 129 10.550 14.133 -4.466 1.00 13.23 H new ATOM 0 HE2 LYS A 129 10.715 16.124 -5.924 1.00 2.21 H new ATOM 0 HE3 LYS A 129 11.902 14.913 -6.364 1.00 2.21 H new ATOM 0 HZ1 LYS A 129 10.814 15.867 -8.297 1.00 71.24 H new ATOM 0 HZ2 LYS A 129 10.489 14.204 -8.182 1.00 71.24 H new ATOM 0 HZ3 LYS A 129 9.300 15.334 -7.742 1.00 71.24 H new ATOM 2191 N TYR A 130 7.359 9.443 -5.077 1.00 62.45 N ATOM 2192 CA TYR A 130 7.030 7.999 -4.976 1.00 31.25 C ATOM 2193 C TYR A 130 7.319 7.296 -6.340 1.00 40.12 C ATOM 2194 O TYR A 130 7.666 7.967 -7.335 1.00 24.22 O ATOM 2195 CB TYR A 130 5.533 7.819 -4.569 1.00 43.25 C ATOM 2196 CG TYR A 130 4.531 8.012 -5.726 1.00 53.24 C ATOM 2197 CD1 TYR A 130 4.368 9.250 -6.359 1.00 71.01 C ATOM 2198 CD2 TYR A 130 3.771 6.940 -6.206 1.00 42.21 C ATOM 2199 CE1 TYR A 130 3.499 9.400 -7.417 1.00 62.21 C ATOM 2200 CE2 TYR A 130 2.899 7.095 -7.259 1.00 43.50 C ATOM 2201 CZ TYR A 130 2.768 8.324 -7.860 1.00 0.02 C ATOM 2202 OH TYR A 130 1.906 8.474 -8.911 1.00 63.34 O ATOM 0 H TYR A 130 7.160 9.834 -5.998 1.00 62.45 H new ATOM 0 HA TYR A 130 7.652 7.540 -4.208 1.00 31.25 H new ATOM 0 HB2 TYR A 130 5.400 6.821 -4.152 1.00 43.25 H new ATOM 0 HB3 TYR A 130 5.296 8.530 -3.777 1.00 43.25 H new ATOM 0 HD1 TYR A 130 4.933 10.102 -6.012 1.00 71.01 H new ATOM 0 HD2 TYR A 130 3.871 5.971 -5.740 1.00 42.21 H new ATOM 0 HE1 TYR A 130 3.392 10.361 -7.897 1.00 62.21 H new ATOM 0 HE2 TYR A 130 2.320 6.254 -7.612 1.00 43.50 H new ATOM 0 HH TYR A 130 1.468 7.618 -9.100 1.00 63.34 H new ATOM 2212 N HIS A 131 7.170 5.949 -6.381 1.00 10.12 N ATOM 2213 CA HIS A 131 7.389 5.131 -7.604 1.00 25.04 C ATOM 2214 C HIS A 131 6.045 4.612 -8.172 1.00 23.41 C ATOM 2215 O HIS A 131 5.439 3.735 -7.575 1.00 30.43 O ATOM 2216 CB HIS A 131 8.318 3.934 -7.283 1.00 15.12 C ATOM 2217 CG HIS A 131 9.654 4.360 -6.760 1.00 44.50 C ATOM 2218 ND1 HIS A 131 10.702 4.598 -7.606 1.00 35.12 N ATOM 2219 CD2 HIS A 131 10.052 4.589 -5.488 1.00 41.31 C ATOM 2220 CE1 HIS A 131 11.700 4.972 -6.845 1.00 25.14 C ATOM 2221 NE2 HIS A 131 11.355 4.983 -5.550 1.00 31.02 N ATOM 0 H HIS A 131 6.895 5.397 -5.568 1.00 10.12 H new ATOM 0 HA HIS A 131 7.860 5.764 -8.356 1.00 25.04 H new ATOM 0 HB2 HIS A 131 7.834 3.291 -6.548 1.00 15.12 H new ATOM 0 HB3 HIS A 131 8.459 3.338 -8.184 1.00 15.12 H new ATOM 0 HD1 HIS A 131 10.706 4.504 -8.622 1.00 35.12 H new ATOM 0 HD2 HIS A 131 9.453 4.481 -4.596 1.00 41.31 H new ATOM 0 HE1 HIS A 131 12.679 5.238 -7.215 1.00 25.14 H new ATOM 2229 N PRO A 132 5.557 5.145 -9.341 1.00 43.14 N ATOM 2230 CA PRO A 132 4.247 4.748 -9.943 1.00 12.44 C ATOM 2231 C PRO A 132 4.195 3.313 -10.527 1.00 13.12 C ATOM 2232 O PRO A 132 3.118 2.857 -10.905 1.00 62.33 O ATOM 2233 CB PRO A 132 4.080 5.794 -11.075 1.00 74.41 C ATOM 2234 CG PRO A 132 5.476 6.130 -11.464 1.00 51.52 C ATOM 2235 CD PRO A 132 6.225 6.193 -10.162 1.00 12.40 C ATOM 0 HA PRO A 132 3.460 4.732 -9.189 1.00 12.44 H new ATOM 0 HB2 PRO A 132 3.519 5.386 -11.916 1.00 74.41 H new ATOM 0 HB3 PRO A 132 3.539 6.675 -10.728 1.00 74.41 H new ATOM 0 HG2 PRO A 132 5.896 5.374 -12.127 1.00 51.52 H new ATOM 0 HG3 PRO A 132 5.522 7.081 -11.995 1.00 51.52 H new ATOM 0 HD2 PRO A 132 7.286 5.985 -10.296 1.00 12.40 H new ATOM 0 HD3 PRO A 132 6.149 7.177 -9.700 1.00 12.40 H new ATOM 2243 N LYS A 133 5.344 2.617 -10.632 1.00 1.03 N ATOM 2244 CA LYS A 133 5.418 1.269 -11.265 1.00 4.05 C ATOM 2245 C LYS A 133 5.871 0.201 -10.247 1.00 43.04 C ATOM 2246 O LYS A 133 6.027 0.504 -9.063 1.00 14.44 O ATOM 2247 CB LYS A 133 6.378 1.314 -12.487 1.00 64.14 C ATOM 2248 CG LYS A 133 5.964 2.289 -13.619 1.00 55.50 C ATOM 2249 CD LYS A 133 4.616 1.919 -14.269 1.00 42.43 C ATOM 2250 CE LYS A 133 4.237 2.847 -15.435 1.00 15.34 C ATOM 2251 NZ LYS A 133 2.957 2.431 -16.082 1.00 12.12 N ATOM 0 H LYS A 133 6.241 2.961 -10.288 1.00 1.03 H new ATOM 0 HA LYS A 133 4.422 0.990 -11.610 1.00 4.05 H new ATOM 0 HB2 LYS A 133 7.372 1.591 -12.137 1.00 64.14 H new ATOM 0 HB3 LYS A 133 6.455 0.310 -12.905 1.00 64.14 H new ATOM 0 HG2 LYS A 133 5.901 3.300 -13.216 1.00 55.50 H new ATOM 0 HG3 LYS A 133 6.740 2.299 -14.385 1.00 55.50 H new ATOM 0 HD2 LYS A 133 4.663 0.892 -14.630 1.00 42.43 H new ATOM 0 HD3 LYS A 133 3.832 1.956 -13.513 1.00 42.43 H new ATOM 0 HE2 LYS A 133 4.144 3.870 -15.070 1.00 15.34 H new ATOM 0 HE3 LYS A 133 5.036 2.845 -16.176 1.00 15.34 H new ATOM 0 HZ1 LYS A 133 2.692 3.128 -16.807 1.00 12.12 H new ATOM 0 HZ2 LYS A 133 3.080 1.499 -16.527 1.00 12.12 H new ATOM 0 HZ3 LYS A 133 2.207 2.376 -15.364 1.00 12.12 H new ATOM 2265 N PHE A 134 6.084 -1.049 -10.730 1.00 74.42 N ATOM 2266 CA PHE A 134 6.427 -2.210 -9.880 1.00 21.40 C ATOM 2267 C PHE A 134 7.943 -2.457 -9.863 1.00 14.04 C ATOM 2268 O PHE A 134 8.541 -2.702 -10.915 1.00 14.21 O ATOM 2269 CB PHE A 134 5.713 -3.495 -10.389 1.00 35.50 C ATOM 2270 CG PHE A 134 4.195 -3.439 -10.319 1.00 11.41 C ATOM 2271 CD1 PHE A 134 3.539 -3.584 -9.099 1.00 3.41 C ATOM 2272 CD2 PHE A 134 3.425 -3.243 -11.465 1.00 61.04 C ATOM 2273 CE1 PHE A 134 2.165 -3.532 -9.026 1.00 33.14 C ATOM 2274 CE2 PHE A 134 2.051 -3.195 -11.392 1.00 61.12 C ATOM 2275 CZ PHE A 134 1.418 -3.338 -10.172 1.00 31.11 C ATOM 0 H PHE A 134 6.022 -1.277 -11.722 1.00 74.42 H new ATOM 0 HA PHE A 134 6.091 -1.981 -8.869 1.00 21.40 H new ATOM 0 HB2 PHE A 134 6.011 -3.677 -11.422 1.00 35.50 H new ATOM 0 HB3 PHE A 134 6.061 -4.346 -9.803 1.00 35.50 H new ATOM 0 HD1 PHE A 134 4.115 -3.739 -8.199 1.00 3.41 H new ATOM 0 HD2 PHE A 134 3.913 -3.127 -12.422 1.00 61.04 H new ATOM 0 HE1 PHE A 134 1.671 -3.643 -8.072 1.00 33.14 H new ATOM 0 HE2 PHE A 134 1.468 -3.046 -12.289 1.00 61.12 H new ATOM 0 HZ PHE A 134 0.340 -3.298 -10.114 1.00 31.11 H new ATOM 2285 N TRP A 135 8.539 -2.401 -8.661 1.00 11.41 N ATOM 2286 CA TRP A 135 9.942 -2.784 -8.414 1.00 63.50 C ATOM 2287 C TRP A 135 10.191 -4.274 -8.777 1.00 33.14 C ATOM 2288 O TRP A 135 9.866 -5.170 -7.990 1.00 4.14 O ATOM 2289 CB TRP A 135 10.305 -2.498 -6.920 1.00 30.13 C ATOM 2290 CG TRP A 135 10.566 -1.041 -6.584 1.00 63.32 C ATOM 2291 CD1 TRP A 135 10.300 0.065 -7.353 1.00 75.23 C ATOM 2292 CD2 TRP A 135 11.179 -0.547 -5.386 1.00 32.53 C ATOM 2293 NE1 TRP A 135 10.729 1.196 -6.711 1.00 5.21 N ATOM 2294 CE2 TRP A 135 11.261 0.850 -5.500 1.00 33.11 C ATOM 2295 CE3 TRP A 135 11.667 -1.156 -4.225 1.00 61.23 C ATOM 2296 CZ2 TRP A 135 11.813 1.648 -4.505 1.00 62.20 C ATOM 2297 CZ3 TRP A 135 12.213 -0.362 -3.240 1.00 14.34 C ATOM 2298 CH2 TRP A 135 12.281 1.029 -3.382 1.00 42.14 C ATOM 0 H TRP A 135 8.055 -2.084 -7.821 1.00 11.41 H new ATOM 0 HA TRP A 135 10.589 -2.186 -9.056 1.00 63.50 H new ATOM 0 HB2 TRP A 135 9.492 -2.859 -6.290 1.00 30.13 H new ATOM 0 HB3 TRP A 135 11.191 -3.078 -6.661 1.00 30.13 H new ATOM 0 HD1 TRP A 135 9.823 0.046 -8.322 1.00 75.23 H new ATOM 0 HE1 TRP A 135 10.662 2.145 -7.078 1.00 5.21 H new ATOM 0 HE3 TRP A 135 11.617 -2.228 -4.103 1.00 61.23 H new ATOM 0 HZ2 TRP A 135 11.870 2.721 -4.616 1.00 62.20 H new ATOM 0 HZ3 TRP A 135 12.596 -0.822 -2.341 1.00 14.34 H new ATOM 0 HH2 TRP A 135 12.711 1.623 -2.589 1.00 42.14 H new ATOM 2309 N THR A 136 10.742 -4.532 -9.983 1.00 63.50 N ATOM 2310 CA THR A 136 10.955 -5.903 -10.499 1.00 52.14 C ATOM 2311 C THR A 136 12.310 -5.997 -11.260 1.00 71.34 C ATOM 2312 O THR A 136 12.757 -5.018 -11.871 1.00 41.03 O ATOM 2313 CB THR A 136 9.755 -6.327 -11.428 1.00 14.43 C ATOM 2314 OG1 THR A 136 8.502 -5.977 -10.804 1.00 5.43 O ATOM 2315 CG2 THR A 136 9.750 -7.839 -11.737 1.00 2.01 C ATOM 0 H THR A 136 11.050 -3.801 -10.624 1.00 63.50 H new ATOM 0 HA THR A 136 10.996 -6.592 -9.656 1.00 52.14 H new ATOM 0 HB THR A 136 9.881 -5.791 -12.369 1.00 14.43 H new ATOM 0 HG1 THR A 136 8.387 -5.004 -10.825 1.00 5.43 H new ATOM 0 HG21 THR A 136 8.903 -8.076 -12.380 1.00 2.01 H new ATOM 0 HG22 THR A 136 10.677 -8.110 -12.243 1.00 2.01 H new ATOM 0 HG23 THR A 136 9.667 -8.400 -10.806 1.00 2.01 H new ATOM 2323 N ASP A 137 12.924 -7.198 -11.220 1.00 62.54 N ATOM 2324 CA ASP A 137 14.282 -7.493 -11.753 1.00 72.15 C ATOM 2325 C ASP A 137 14.429 -7.192 -13.267 1.00 64.22 C ATOM 2326 O ASP A 137 13.724 -7.779 -14.094 1.00 44.51 O ATOM 2327 CB ASP A 137 14.632 -8.985 -11.460 1.00 44.11 C ATOM 2328 CG ASP A 137 13.542 -9.977 -11.947 1.00 52.23 C ATOM 2329 OD1 ASP A 137 13.586 -10.419 -13.119 1.00 53.30 O ATOM 2330 OD2 ASP A 137 12.634 -10.318 -11.156 1.00 0.42 O ATOM 0 H ASP A 137 12.480 -8.017 -10.805 1.00 62.54 H new ATOM 0 HA ASP A 137 14.981 -6.828 -11.246 1.00 72.15 H new ATOM 0 HB2 ASP A 137 15.579 -9.231 -11.942 1.00 44.11 H new ATOM 0 HB3 ASP A 137 14.777 -9.113 -10.387 1.00 44.11 H new ATOM 2335 N GLY A 138 15.318 -6.225 -13.599 1.00 3.13 N ATOM 2336 CA GLY A 138 15.661 -5.881 -14.997 1.00 73.14 C ATOM 2337 C GLY A 138 14.472 -5.477 -15.868 1.00 14.24 C ATOM 2338 O GLY A 138 14.571 -5.458 -17.101 1.00 51.12 O ATOM 0 H GLY A 138 15.815 -5.664 -12.907 1.00 3.13 H new ATOM 0 HA2 GLY A 138 16.382 -5.063 -14.989 1.00 73.14 H new ATOM 0 HA3 GLY A 138 16.155 -6.737 -15.456 1.00 73.14 H new ATOM 2342 N SER A 139 13.343 -5.160 -15.216 1.00 22.44 N ATOM 2343 CA SER A 139 12.061 -4.899 -15.879 1.00 72.22 C ATOM 2344 C SER A 139 11.933 -3.423 -16.223 1.00 53.53 C ATOM 2345 O SER A 139 12.632 -2.572 -15.637 1.00 75.42 O ATOM 2346 CB SER A 139 10.911 -5.330 -14.947 1.00 53.54 C ATOM 2347 OG SER A 139 10.992 -6.712 -14.645 1.00 33.11 O ATOM 0 H SER A 139 13.297 -5.077 -14.200 1.00 22.44 H new ATOM 0 HA SER A 139 12.012 -5.471 -16.805 1.00 72.22 H new ATOM 0 HB2 SER A 139 10.949 -4.750 -14.025 1.00 53.54 H new ATOM 0 HB3 SER A 139 9.954 -5.113 -15.421 1.00 53.54 H new ATOM 0 HG SER A 139 11.911 -6.938 -14.390 1.00 33.11 H new ATOM 2353 N TYR A 140 11.043 -3.119 -17.182 1.00 71.13 N ATOM 2354 CA TYR A 140 10.667 -1.742 -17.469 1.00 23.14 C ATOM 2355 C TYR A 140 9.809 -1.226 -16.305 1.00 54.44 C ATOM 2356 O TYR A 140 8.645 -1.613 -16.146 1.00 72.41 O ATOM 2357 CB TYR A 140 9.916 -1.604 -18.812 1.00 63.11 C ATOM 2358 CG TYR A 140 9.530 -0.152 -19.116 1.00 42.20 C ATOM 2359 CD1 TYR A 140 10.517 0.811 -19.336 1.00 73.43 C ATOM 2360 CD2 TYR A 140 8.198 0.271 -19.137 1.00 12.14 C ATOM 2361 CE1 TYR A 140 10.194 2.125 -19.572 1.00 51.15 C ATOM 2362 CE2 TYR A 140 7.870 1.590 -19.368 1.00 73.04 C ATOM 2363 CZ TYR A 140 8.872 2.513 -19.587 1.00 13.14 C ATOM 2364 OH TYR A 140 8.553 3.832 -19.820 1.00 31.24 O ATOM 0 H TYR A 140 10.576 -3.813 -17.766 1.00 71.13 H new ATOM 0 HA TYR A 140 11.572 -1.143 -17.568 1.00 23.14 H new ATOM 0 HB2 TYR A 140 10.543 -1.987 -19.617 1.00 63.11 H new ATOM 0 HB3 TYR A 140 9.017 -2.219 -18.788 1.00 63.11 H new ATOM 0 HD1 TYR A 140 11.556 0.516 -19.320 1.00 73.43 H new ATOM 0 HD2 TYR A 140 7.411 -0.449 -18.969 1.00 12.14 H new ATOM 0 HE1 TYR A 140 10.974 2.852 -19.745 1.00 51.15 H new ATOM 0 HE2 TYR A 140 6.835 1.899 -19.377 1.00 73.04 H new ATOM 0 HH TYR A 140 7.579 3.942 -19.799 1.00 31.24 H new ATOM 2374 N GLN A 141 10.441 -0.407 -15.469 1.00 52.40 N ATOM 2375 CA GLN A 141 9.826 0.202 -14.290 1.00 25.03 C ATOM 2376 C GLN A 141 9.718 1.715 -14.524 1.00 61.23 C ATOM 2377 O GLN A 141 9.876 2.198 -15.662 1.00 2.22 O ATOM 2378 CB GLN A 141 10.709 -0.122 -13.050 1.00 51.25 C ATOM 2379 CG GLN A 141 10.984 -1.627 -12.832 1.00 44.51 C ATOM 2380 CD GLN A 141 12.211 -1.890 -11.956 1.00 10.33 C ATOM 2381 OE1 GLN A 141 12.115 -1.943 -10.741 1.00 73.50 O ATOM 2382 NE2 GLN A 141 13.372 -2.069 -12.578 1.00 4.02 N ATOM 0 H GLN A 141 11.418 -0.141 -15.594 1.00 52.40 H new ATOM 0 HA GLN A 141 8.825 -0.192 -14.113 1.00 25.03 H new ATOM 0 HB2 GLN A 141 11.662 0.397 -13.153 1.00 51.25 H new ATOM 0 HB3 GLN A 141 10.223 0.278 -12.160 1.00 51.25 H new ATOM 0 HG2 GLN A 141 10.110 -2.087 -12.371 1.00 44.51 H new ATOM 0 HG3 GLN A 141 11.125 -2.109 -13.800 1.00 44.51 H new ATOM 0 HE21 GLN A 141 13.418 -2.018 -13.596 1.00 4.02 H new ATOM 0 HE22 GLN A 141 14.216 -2.257 -12.038 1.00 4.02 H new ATOM 2391 N CYS A 142 9.448 2.437 -13.442 1.00 51.12 N ATOM 2392 CA CYS A 142 9.325 3.892 -13.420 1.00 43.20 C ATOM 2393 C CYS A 142 10.679 4.562 -13.756 1.00 20.41 C ATOM 2394 O CYS A 142 10.874 5.036 -14.879 1.00 44.43 O ATOM 2395 CB CYS A 142 8.797 4.269 -12.030 1.00 75.05 C ATOM 2396 SG CYS A 142 9.603 3.348 -10.677 1.00 43.20 S ATOM 0 H CYS A 142 9.304 2.013 -12.526 1.00 51.12 H new ATOM 0 HA CYS A 142 8.631 4.250 -14.180 1.00 43.20 H new ATOM 0 HB2 CYS A 142 8.944 5.337 -11.871 1.00 75.05 H new ATOM 0 HB3 CYS A 142 7.723 4.086 -11.995 1.00 75.05 H new ATOM 0 HG CYS A 142 10.515 2.563 -11.169 1.00 43.20 H new ATOM 2401 N CYS A 143 11.621 4.564 -12.793 1.00 54.22 N ATOM 2402 CA CYS A 143 13.013 5.014 -13.020 1.00 21.43 C ATOM 2403 C CYS A 143 13.969 3.817 -13.082 1.00 74.51 C ATOM 2404 O CYS A 143 15.191 3.998 -13.156 1.00 43.33 O ATOM 2405 CB CYS A 143 13.432 5.975 -11.901 1.00 13.21 C ATOM 2406 SG CYS A 143 13.196 5.298 -10.231 1.00 3.54 S ATOM 0 H CYS A 143 11.442 4.255 -11.838 1.00 54.22 H new ATOM 0 HA CYS A 143 13.062 5.534 -13.977 1.00 21.43 H new ATOM 0 HB2 CYS A 143 14.482 6.236 -12.033 1.00 13.21 H new ATOM 0 HB3 CYS A 143 12.860 6.898 -11.994 1.00 13.21 H new ATOM 0 HG CYS A 143 14.087 5.801 -9.429 1.00 3.54 H new ATOM 2411 N ARG A 144 13.384 2.596 -13.054 1.00 74.10 N ATOM 2412 CA ARG A 144 14.109 1.300 -13.114 1.00 53.21 C ATOM 2413 C ARG A 144 14.888 1.017 -11.803 1.00 32.31 C ATOM 2414 O ARG A 144 15.696 0.084 -11.750 1.00 64.32 O ATOM 2415 CB ARG A 144 15.018 1.159 -14.388 1.00 24.00 C ATOM 2416 CG ARG A 144 14.276 1.042 -15.761 1.00 64.11 C ATOM 2417 CD ARG A 144 13.693 2.377 -16.276 1.00 1.44 C ATOM 2418 NE ARG A 144 14.735 3.432 -16.387 1.00 2.14 N ATOM 2419 CZ ARG A 144 15.282 3.888 -17.529 1.00 1.01 C ATOM 2420 NH1 ARG A 144 14.910 3.414 -18.707 1.00 34.24 N ATOM 2421 NH2 ARG A 144 16.206 4.829 -17.481 1.00 4.54 N ATOM 0 H ARG A 144 12.373 2.480 -12.988 1.00 74.10 H new ATOM 0 HA ARG A 144 13.346 0.528 -13.210 1.00 53.21 H new ATOM 0 HB2 ARG A 144 15.683 2.022 -14.431 1.00 24.00 H new ATOM 0 HB3 ARG A 144 15.647 0.278 -14.263 1.00 24.00 H new ATOM 0 HG2 ARG A 144 14.969 0.649 -16.505 1.00 64.11 H new ATOM 0 HG3 ARG A 144 13.467 0.317 -15.665 1.00 64.11 H new ATOM 0 HD2 ARG A 144 13.231 2.219 -17.251 1.00 1.44 H new ATOM 0 HD3 ARG A 144 12.906 2.714 -15.601 1.00 1.44 H new ATOM 0 HE ARG A 144 15.066 3.849 -15.517 1.00 2.14 H new ATOM 0 HH11 ARG A 144 14.195 2.688 -18.762 1.00 34.24 H new ATOM 0 HH12 ARG A 144 15.338 3.774 -19.560 1.00 34.24 H new ATOM 0 HH21 ARG A 144 16.502 5.207 -16.581 1.00 4.54 H new ATOM 0 HH22 ARG A 144 16.624 5.178 -18.344 1.00 4.54 H new ATOM 2435 N GLN A 145 14.606 1.801 -10.741 1.00 53.32 N ATOM 2436 CA GLN A 145 15.107 1.535 -9.377 1.00 44.35 C ATOM 2437 C GLN A 145 14.221 0.463 -8.718 1.00 4.05 C ATOM 2438 O GLN A 145 13.013 0.398 -8.991 1.00 24.31 O ATOM 2439 CB GLN A 145 15.116 2.842 -8.533 1.00 21.13 C ATOM 2440 CG GLN A 145 16.191 3.875 -8.958 1.00 1.03 C ATOM 2441 CD GLN A 145 16.146 5.198 -8.165 1.00 42.40 C ATOM 2442 OE1 GLN A 145 14.955 5.680 -7.844 1.00 23.53 O flip ATOM 2443 NE2 GLN A 145 17.180 5.817 -7.905 1.00 34.31 N flip ATOM 0 H GLN A 145 14.024 2.636 -10.806 1.00 53.32 H new ATOM 0 HA GLN A 145 16.133 1.170 -9.430 1.00 44.35 H new ATOM 0 HB2 GLN A 145 14.134 3.310 -8.601 1.00 21.13 H new ATOM 0 HB3 GLN A 145 15.274 2.582 -7.486 1.00 21.13 H new ATOM 0 HG2 GLN A 145 17.177 3.426 -8.839 1.00 1.03 H new ATOM 0 HG3 GLN A 145 16.068 4.096 -10.018 1.00 1.03 H new ATOM 0 HE21 GLN A 145 18.087 5.426 -8.162 1.00 34.31 H new ATOM 0 HE22 GLN A 145 17.129 6.720 -7.433 1.00 34.31 H new ATOM 2452 N THR A 146 14.838 -0.366 -7.858 1.00 41.03 N ATOM 2453 CA THR A 146 14.187 -1.534 -7.235 1.00 2.01 C ATOM 2454 C THR A 146 14.946 -1.924 -5.939 1.00 75.14 C ATOM 2455 O THR A 146 15.638 -1.074 -5.355 1.00 70.21 O ATOM 2456 CB THR A 146 14.118 -2.734 -8.271 1.00 53.44 C ATOM 2457 OG1 THR A 146 13.312 -3.818 -7.765 1.00 64.35 O ATOM 2458 CG2 THR A 146 15.513 -3.275 -8.641 1.00 65.04 C ATOM 0 H THR A 146 15.810 -0.244 -7.573 1.00 41.03 H new ATOM 0 HA THR A 146 13.163 -1.285 -6.958 1.00 2.01 H new ATOM 0 HB THR A 146 13.658 -2.326 -9.171 1.00 53.44 H new ATOM 0 HG1 THR A 146 13.286 -4.542 -8.425 1.00 64.35 H new ATOM 0 HG21 THR A 146 15.409 -4.094 -9.352 1.00 65.04 H new ATOM 0 HG22 THR A 146 16.105 -2.478 -9.090 1.00 65.04 H new ATOM 0 HG23 THR A 146 16.013 -3.636 -7.742 1.00 65.04 H new ATOM 2466 N GLU A 147 14.730 -3.176 -5.461 1.00 4.44 N ATOM 2467 CA GLU A 147 15.536 -3.846 -4.423 1.00 34.42 C ATOM 2468 C GLU A 147 15.142 -3.403 -2.995 1.00 2.01 C ATOM 2469 O GLU A 147 14.420 -4.132 -2.294 1.00 73.41 O ATOM 2470 CB GLU A 147 17.063 -3.667 -4.689 1.00 12.33 C ATOM 2471 CG GLU A 147 17.992 -4.431 -3.727 1.00 30.34 C ATOM 2472 CD GLU A 147 19.467 -4.019 -3.885 1.00 73.03 C ATOM 2473 OE1 GLU A 147 20.101 -4.404 -4.897 1.00 51.34 O ATOM 2474 OE2 GLU A 147 20.001 -3.294 -3.014 1.00 64.30 O ATOM 0 H GLU A 147 13.966 -3.760 -5.801 1.00 4.44 H new ATOM 0 HA GLU A 147 15.315 -4.912 -4.485 1.00 34.42 H new ATOM 0 HB2 GLU A 147 17.278 -3.989 -5.708 1.00 12.33 H new ATOM 0 HB3 GLU A 147 17.303 -2.605 -4.633 1.00 12.33 H new ATOM 0 HG2 GLU A 147 17.675 -4.250 -2.700 1.00 30.34 H new ATOM 0 HG3 GLU A 147 17.895 -5.502 -3.907 1.00 30.34 H new ATOM 2481 N LYS A 148 15.581 -2.198 -2.579 1.00 73.24 N ATOM 2482 CA LYS A 148 15.498 -1.776 -1.165 1.00 63.32 C ATOM 2483 C LYS A 148 15.140 -0.281 -1.034 1.00 31.24 C ATOM 2484 O LYS A 148 14.014 0.062 -0.670 1.00 34.43 O ATOM 2485 CB LYS A 148 16.845 -2.090 -0.438 1.00 44.35 C ATOM 2486 CG LYS A 148 16.809 -1.928 1.105 1.00 53.22 C ATOM 2487 CD LYS A 148 15.906 -2.975 1.806 1.00 21.04 C ATOM 2488 CE LYS A 148 16.427 -4.418 1.634 1.00 75.22 C ATOM 2489 NZ LYS A 148 15.543 -5.416 2.293 1.00 43.24 N ATOM 0 H LYS A 148 15.995 -1.502 -3.199 1.00 73.24 H new ATOM 0 HA LYS A 148 14.696 -2.340 -0.690 1.00 63.32 H new ATOM 0 HB2 LYS A 148 17.139 -3.113 -0.674 1.00 44.35 H new ATOM 0 HB3 LYS A 148 17.619 -1.435 -0.839 1.00 44.35 H new ATOM 0 HG2 LYS A 148 17.823 -2.011 1.497 1.00 53.22 H new ATOM 0 HG3 LYS A 148 16.453 -0.927 1.351 1.00 53.22 H new ATOM 0 HD2 LYS A 148 15.841 -2.740 2.868 1.00 21.04 H new ATOM 0 HD3 LYS A 148 14.896 -2.907 1.402 1.00 21.04 H new ATOM 0 HE2 LYS A 148 16.506 -4.650 0.572 1.00 75.22 H new ATOM 0 HE3 LYS A 148 17.431 -4.492 2.052 1.00 75.22 H new ATOM 0 HZ1 LYS A 148 15.931 -6.370 2.152 1.00 43.24 H new ATOM 0 HZ2 LYS A 148 15.488 -5.212 3.311 1.00 43.24 H new ATOM 0 HZ3 LYS A 148 14.591 -5.365 1.877 1.00 43.24 H new ATOM 2503 N LEU A 149 16.099 0.608 -1.339 1.00 11.13 N ATOM 2504 CA LEU A 149 15.961 2.055 -1.074 1.00 44.31 C ATOM 2505 C LEU A 149 16.008 2.865 -2.374 1.00 53.15 C ATOM 2506 O LEU A 149 16.926 2.709 -3.187 1.00 34.13 O ATOM 2507 CB LEU A 149 17.072 2.518 -0.088 1.00 74.42 C ATOM 2508 CG LEU A 149 16.953 1.962 1.374 1.00 53.14 C ATOM 2509 CD1 LEU A 149 18.216 2.268 2.209 1.00 53.03 C ATOM 2510 CD2 LEU A 149 15.679 2.503 2.076 1.00 11.42 C ATOM 0 H LEU A 149 16.986 0.350 -1.773 1.00 11.13 H new ATOM 0 HA LEU A 149 14.988 2.233 -0.617 1.00 44.31 H new ATOM 0 HB2 LEU A 149 18.039 2.221 -0.493 1.00 74.42 H new ATOM 0 HB3 LEU A 149 17.065 3.607 -0.045 1.00 74.42 H new ATOM 0 HG LEU A 149 16.866 0.878 1.301 1.00 53.14 H new ATOM 0 HD11 LEU A 149 18.093 1.866 3.215 1.00 53.03 H new ATOM 0 HD12 LEU A 149 19.084 1.807 1.738 1.00 53.03 H new ATOM 0 HD13 LEU A 149 18.363 3.347 2.264 1.00 53.03 H new ATOM 0 HD21 LEU A 149 15.623 2.101 3.088 1.00 11.42 H new ATOM 0 HD22 LEU A 149 15.722 3.591 2.120 1.00 11.42 H new ATOM 0 HD23 LEU A 149 14.796 2.197 1.514 1.00 11.42 H new ATOM 2522 N ALA A 150 14.988 3.713 -2.539 1.00 21.22 N ATOM 2523 CA ALA A 150 14.879 4.696 -3.619 1.00 50.23 C ATOM 2524 C ALA A 150 13.757 5.689 -3.241 1.00 61.04 C ATOM 2525 O ALA A 150 12.650 5.239 -2.909 1.00 52.55 O ATOM 2526 CB ALA A 150 14.587 4.009 -4.968 1.00 43.24 C ATOM 0 H ALA A 150 14.190 3.734 -1.904 1.00 21.22 H new ATOM 0 HA ALA A 150 15.823 5.228 -3.739 1.00 50.23 H new ATOM 0 HB1 ALA A 150 14.511 4.763 -5.751 1.00 43.24 H new ATOM 0 HB2 ALA A 150 15.395 3.318 -5.207 1.00 43.24 H new ATOM 0 HB3 ALA A 150 13.648 3.460 -4.901 1.00 43.24 H new ATOM 2532 N PRO A 151 14.019 7.045 -3.242 1.00 60.32 N ATOM 2533 CA PRO A 151 13.003 8.059 -2.850 1.00 32.20 C ATOM 2534 C PRO A 151 11.761 8.066 -3.780 1.00 30.33 C ATOM 2535 O PRO A 151 10.642 7.819 -3.318 1.00 44.05 O ATOM 2536 CB PRO A 151 13.781 9.406 -2.888 1.00 40.45 C ATOM 2537 CG PRO A 151 14.999 9.153 -3.731 1.00 44.31 C ATOM 2538 CD PRO A 151 15.327 7.681 -3.582 1.00 42.40 C ATOM 0 HA PRO A 151 12.580 7.850 -1.868 1.00 32.20 H new ATOM 0 HB2 PRO A 151 13.168 10.199 -3.315 1.00 40.45 H new ATOM 0 HB3 PRO A 151 14.060 9.725 -1.884 1.00 40.45 H new ATOM 0 HG2 PRO A 151 14.808 9.404 -4.774 1.00 44.31 H new ATOM 0 HG3 PRO A 151 15.834 9.772 -3.402 1.00 44.31 H new ATOM 0 HD2 PRO A 151 15.742 7.271 -4.503 1.00 42.40 H new ATOM 0 HD3 PRO A 151 16.066 7.515 -2.798 1.00 42.40 H new ATOM 2546 N GLY A 152 11.966 8.321 -5.086 1.00 1.33 N ATOM 2547 CA GLY A 152 10.861 8.331 -6.044 1.00 53.14 C ATOM 2548 C GLY A 152 11.186 9.081 -7.320 1.00 40.33 C ATOM 2549 O GLY A 152 12.030 9.985 -7.330 1.00 54.54 O ATOM 0 H GLY A 152 12.880 8.520 -5.492 1.00 1.33 H new ATOM 0 HA2 GLY A 152 10.594 7.304 -6.292 1.00 53.14 H new ATOM 0 HA3 GLY A 152 9.987 8.784 -5.576 1.00 53.14 H new ATOM 2553 N CYS A 153 10.469 8.724 -8.381 1.00 54.14 N ATOM 2554 CA CYS A 153 10.692 9.238 -9.738 1.00 75.45 C ATOM 2555 C CYS A 153 9.598 10.230 -10.158 1.00 2.33 C ATOM 2556 O CYS A 153 9.865 11.137 -10.951 1.00 74.31 O ATOM 2557 CB CYS A 153 10.728 8.043 -10.678 1.00 51.13 C ATOM 2558 SG CYS A 153 9.379 6.889 -10.339 1.00 4.20 S ATOM 0 H CYS A 153 9.700 8.056 -8.326 1.00 54.14 H new ATOM 0 HA CYS A 153 11.633 9.786 -9.775 1.00 75.45 H new ATOM 0 HB2 CYS A 153 10.661 8.389 -11.710 1.00 51.13 H new ATOM 0 HB3 CYS A 153 11.683 7.528 -10.576 1.00 51.13 H new ATOM 0 HG CYS A 153 9.822 5.669 -10.416 1.00 4.20 H new ATOM 2563 N GLU A 154 8.366 10.033 -9.642 1.00 72.44 N ATOM 2564 CA GLU A 154 7.245 10.990 -9.808 1.00 71.52 C ATOM 2565 C GLU A 154 6.992 11.679 -8.473 1.00 54.33 C ATOM 2566 O GLU A 154 7.312 11.126 -7.425 1.00 74.24 O ATOM 2567 CB GLU A 154 5.940 10.298 -10.305 1.00 22.42 C ATOM 2568 CG GLU A 154 5.892 10.027 -11.822 1.00 13.25 C ATOM 2569 CD GLU A 154 4.503 9.567 -12.318 1.00 74.43 C ATOM 2570 OE1 GLU A 154 3.476 9.993 -11.743 1.00 34.44 O ATOM 2571 OE2 GLU A 154 4.424 8.783 -13.290 1.00 22.22 O ATOM 0 H GLU A 154 8.118 9.207 -9.098 1.00 72.44 H new ATOM 0 HA GLU A 154 7.527 11.716 -10.571 1.00 71.52 H new ATOM 0 HB2 GLU A 154 5.823 9.352 -9.777 1.00 22.42 H new ATOM 0 HB3 GLU A 154 5.088 10.922 -10.034 1.00 22.42 H new ATOM 0 HG2 GLU A 154 6.178 10.934 -12.355 1.00 13.25 H new ATOM 0 HG3 GLU A 154 6.630 9.264 -12.071 1.00 13.25 H new ATOM 2578 N LYS A 155 6.426 12.897 -8.520 1.00 75.14 N ATOM 2579 CA LYS A 155 6.063 13.646 -7.303 1.00 44.22 C ATOM 2580 C LYS A 155 4.752 13.089 -6.700 1.00 31.30 C ATOM 2581 O LYS A 155 3.844 12.656 -7.416 1.00 52.44 O ATOM 2582 CB LYS A 155 5.964 15.188 -7.554 1.00 10.54 C ATOM 2583 CG LYS A 155 4.712 15.696 -8.316 1.00 14.03 C ATOM 2584 CD LYS A 155 4.637 15.210 -9.773 1.00 54.11 C ATOM 2585 CE LYS A 155 3.363 15.683 -10.492 1.00 51.12 C ATOM 2586 NZ LYS A 155 2.130 15.215 -9.806 1.00 45.25 N ATOM 0 H LYS A 155 6.209 13.385 -9.389 1.00 75.14 H new ATOM 0 HA LYS A 155 6.868 13.504 -6.581 1.00 44.22 H new ATOM 0 HB2 LYS A 155 6.001 15.692 -6.588 1.00 10.54 H new ATOM 0 HB3 LYS A 155 6.849 15.499 -8.110 1.00 10.54 H new ATOM 0 HG2 LYS A 155 3.817 15.369 -7.786 1.00 14.03 H new ATOM 0 HG3 LYS A 155 4.708 16.786 -8.305 1.00 14.03 H new ATOM 0 HD2 LYS A 155 5.511 15.569 -10.317 1.00 54.11 H new ATOM 0 HD3 LYS A 155 4.676 14.121 -9.791 1.00 54.11 H new ATOM 0 HE2 LYS A 155 3.358 16.772 -10.543 1.00 51.12 H new ATOM 0 HE3 LYS A 155 3.368 15.316 -11.518 1.00 51.12 H new ATOM 0 HZ1 LYS A 155 1.308 15.376 -10.422 1.00 45.25 H new ATOM 0 HZ2 LYS A 155 2.213 14.199 -9.598 1.00 45.25 H new ATOM 0 HZ3 LYS A 155 2.006 15.741 -8.918 1.00 45.25 H new ATOM 2600 N TYR A 156 4.692 13.116 -5.381 1.00 13.02 N ATOM 2601 CA TYR A 156 3.613 12.542 -4.563 1.00 22.43 C ATOM 2602 C TYR A 156 2.746 13.664 -3.974 1.00 31.40 C ATOM 2603 O TYR A 156 3.276 14.696 -3.538 1.00 22.22 O ATOM 2604 CB TYR A 156 4.265 11.697 -3.429 1.00 43.30 C ATOM 2605 CG TYR A 156 3.306 11.159 -2.351 1.00 43.40 C ATOM 2606 CD1 TYR A 156 2.352 10.185 -2.649 1.00 64.20 C ATOM 2607 CD2 TYR A 156 3.362 11.622 -1.029 1.00 41.51 C ATOM 2608 CE1 TYR A 156 1.502 9.700 -1.675 1.00 74.13 C ATOM 2609 CE2 TYR A 156 2.516 11.132 -0.057 1.00 53.32 C ATOM 2610 CZ TYR A 156 1.589 10.172 -0.382 1.00 14.01 C ATOM 2611 OH TYR A 156 0.748 9.675 0.590 1.00 3.22 O ATOM 0 H TYR A 156 5.420 13.555 -4.817 1.00 13.02 H new ATOM 0 HA TYR A 156 2.969 11.908 -5.172 1.00 22.43 H new ATOM 0 HB2 TYR A 156 4.780 10.851 -3.884 1.00 43.30 H new ATOM 0 HB3 TYR A 156 5.025 12.307 -2.940 1.00 43.30 H new ATOM 0 HD1 TYR A 156 2.277 9.805 -3.657 1.00 64.20 H new ATOM 0 HD2 TYR A 156 4.085 12.380 -0.766 1.00 41.51 H new ATOM 0 HE1 TYR A 156 0.767 8.949 -1.926 1.00 74.13 H new ATOM 0 HE2 TYR A 156 2.582 11.501 0.956 1.00 53.32 H new ATOM 0 HH TYR A 156 0.417 8.794 0.317 1.00 3.22 H new ATOM 2621 N ASN A 157 1.415 13.458 -3.955 1.00 73.43 N ATOM 2622 CA ASN A 157 0.458 14.394 -3.336 1.00 44.43 C ATOM 2623 C ASN A 157 -0.269 13.716 -2.155 1.00 43.41 C ATOM 2624 O ASN A 157 -0.763 12.594 -2.279 1.00 73.52 O ATOM 2625 CB ASN A 157 -0.533 14.955 -4.401 1.00 34.45 C ATOM 2626 CG ASN A 157 -1.467 13.924 -5.052 1.00 1.45 C ATOM 2627 OD1 ASN A 157 -1.162 12.741 -5.139 1.00 44.33 O ATOM 2628 ND2 ASN A 157 -2.603 14.380 -5.547 1.00 42.52 N ATOM 0 H ASN A 157 0.973 12.637 -4.369 1.00 73.43 H new ATOM 0 HA ASN A 157 1.004 15.247 -2.933 1.00 44.43 H new ATOM 0 HB2 ASN A 157 -1.144 15.726 -3.931 1.00 34.45 H new ATOM 0 HB3 ASN A 157 0.045 15.442 -5.187 1.00 34.45 H new ATOM 0 HD21 ASN A 157 -3.248 13.743 -6.014 1.00 42.52 H new ATOM 0 HD22 ASN A 157 -2.835 15.370 -5.462 1.00 42.52 H new ATOM 2635 N LEU A 158 -0.302 14.406 -1.001 1.00 54.04 N ATOM 2636 CA LEU A 158 -0.909 13.892 0.250 1.00 32.23 C ATOM 2637 C LEU A 158 -2.074 14.797 0.692 1.00 30.53 C ATOM 2638 O LEU A 158 -3.114 14.316 1.139 1.00 73.04 O ATOM 2639 CB LEU A 158 0.171 13.822 1.362 1.00 25.02 C ATOM 2640 CG LEU A 158 -0.303 13.303 2.761 1.00 60.24 C ATOM 2641 CD1 LEU A 158 -0.733 11.819 2.718 1.00 20.03 C ATOM 2642 CD2 LEU A 158 0.785 13.534 3.827 1.00 5.13 C ATOM 0 H LEU A 158 0.093 15.342 -0.905 1.00 54.04 H new ATOM 0 HA LEU A 158 -1.302 12.891 0.070 1.00 32.23 H new ATOM 0 HB2 LEU A 158 0.978 13.178 1.014 1.00 25.02 H new ATOM 0 HB3 LEU A 158 0.592 14.819 1.492 1.00 25.02 H new ATOM 0 HG LEU A 158 -1.185 13.881 3.038 1.00 60.24 H new ATOM 0 HD11 LEU A 158 -1.054 11.504 3.711 1.00 20.03 H new ATOM 0 HD12 LEU A 158 -1.558 11.699 2.016 1.00 20.03 H new ATOM 0 HD13 LEU A 158 0.109 11.205 2.397 1.00 20.03 H new ATOM 0 HD21 LEU A 158 0.434 13.166 4.791 1.00 5.13 H new ATOM 0 HD22 LEU A 158 1.692 13.000 3.543 1.00 5.13 H new ATOM 0 HD23 LEU A 158 1.000 14.600 3.902 1.00 5.13 H new ATOM 2654 N PHE A 159 -1.871 16.115 0.581 1.00 24.52 N ATOM 2655 CA PHE A 159 -2.886 17.135 0.926 1.00 1.01 C ATOM 2656 C PHE A 159 -3.412 17.789 -0.368 1.00 73.51 C ATOM 2657 O PHE A 159 -3.806 18.961 -0.362 1.00 34.31 O ATOM 2658 CB PHE A 159 -2.240 18.198 1.868 1.00 62.11 C ATOM 2659 CG PHE A 159 -1.705 17.634 3.192 1.00 32.51 C ATOM 2660 CD1 PHE A 159 -2.579 17.276 4.221 1.00 52.24 C ATOM 2661 CD2 PHE A 159 -0.335 17.466 3.411 1.00 34.43 C ATOM 2662 CE1 PHE A 159 -2.104 16.773 5.418 1.00 32.42 C ATOM 2663 CE2 PHE A 159 0.137 16.964 4.612 1.00 34.11 C ATOM 2664 CZ PHE A 159 -0.747 16.617 5.614 1.00 34.03 C ATOM 0 H PHE A 159 -0.993 16.514 0.247 1.00 24.52 H new ATOM 0 HA PHE A 159 -3.727 16.674 1.445 1.00 1.01 H new ATOM 0 HB2 PHE A 159 -1.421 18.685 1.338 1.00 62.11 H new ATOM 0 HB3 PHE A 159 -2.980 18.968 2.088 1.00 62.11 H new ATOM 0 HD1 PHE A 159 -3.643 17.394 4.079 1.00 52.24 H new ATOM 0 HD2 PHE A 159 0.365 17.731 2.633 1.00 34.43 H new ATOM 0 HE1 PHE A 159 -2.796 16.502 6.201 1.00 32.42 H new ATOM 0 HE2 PHE A 159 1.199 16.844 4.765 1.00 34.11 H new ATOM 0 HZ PHE A 159 -0.377 16.224 6.550 1.00 34.03 H new