USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1151 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 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 186 THR OG1 : rot 63:sc= 0.399 USER MOD Set 2.1: A 77 GLN : amide:sc= 0.154 K(o=0.16,f=-0.46) USER MOD Set 2.2: A 115 TYR OH : rot 165:sc= 0.00562 USER MOD Set 3.1: A 72 SER OG : rot -109:sc= 1.19 USER MOD Set 3.2: A 73 ASN :FLIP amide:sc= -0.265 F(o=-3.4!,f=0.93) USER MOD Set 4.1: A 15 SER OG : rot -67:sc= 0.0116 USER MOD Set 4.2: A 18 GLN : amide:sc= 0.0218 X(o=0.033,f=-0.22) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 175:sc=-0.000574 (180deg=-0.032) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0101) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.0298 USER MOD Single : A 28 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.5!) USER MOD Single : A 32 GLN : amide:sc= -4.84! C(o=-4.8!,f=-9.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.404) USER MOD Single : A 58 LYS NZ :NH3+ -112:sc= -0.573 (180deg=-1.97!) USER MOD Single : A 60 SER OG : rot 78:sc= 0.95 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -87:sc= 0.684 USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.148) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot -72:sc= -0.987 USER MOD Single : A 127 THR OG1 : rot -17:sc= 0.355 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 92:sc= 1.19 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0.0049) USER MOD Single : A 155 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.34) USER MOD Single : A 163 SER OG : rot 76:sc= 0.89 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 182 THR OG1 : rot 76:sc= 0.175 USER MOD Single : A 184 SER OG : rot 157:sc= 0.479 USER MOD ----------------------------------------------------------------- ATOM 176 N SER A 15 19.368 2.927 -0.398 1.00 1.07 N ATOM 177 CA SER A 15 19.409 4.244 0.323 1.00 0.91 C ATOM 178 C SER A 15 17.988 4.774 0.530 1.00 0.75 C ATOM 179 O SER A 15 17.168 4.730 -0.366 1.00 0.78 O ATOM 180 CB SER A 15 20.202 5.251 -0.510 1.00 0.99 C ATOM 181 OG SER A 15 19.405 5.685 -1.605 1.00 1.38 O ATOM 0 HA SER A 15 19.885 4.104 1.293 1.00 0.91 H new ATOM 0 HB2 SER A 15 20.490 6.103 0.106 1.00 0.99 H new ATOM 0 HB3 SER A 15 21.123 4.795 -0.874 1.00 0.99 H new ATOM 0 HG SER A 15 19.257 4.936 -2.219 1.00 1.38 H new ATOM 187 N SER A 16 17.689 5.278 1.700 1.00 0.72 N ATOM 188 CA SER A 16 16.318 5.817 1.960 1.00 0.82 C ATOM 189 C SER A 16 15.875 6.677 0.770 1.00 0.81 C ATOM 190 O SER A 16 14.777 6.539 0.269 1.00 0.92 O ATOM 191 CB SER A 16 16.337 6.669 3.231 1.00 1.06 C ATOM 192 OG SER A 16 15.046 7.224 3.445 1.00 1.64 O ATOM 0 H SER A 16 18.335 5.340 2.487 1.00 0.72 H new ATOM 0 HA SER A 16 15.619 4.990 2.090 1.00 0.82 H new ATOM 0 HB2 SER A 16 16.630 6.060 4.086 1.00 1.06 H new ATOM 0 HB3 SER A 16 17.076 7.464 3.138 1.00 1.06 H new ATOM 0 HG SER A 16 15.055 7.769 4.259 1.00 1.64 H new ATOM 198 N GLU A 17 16.720 7.567 0.321 1.00 0.80 N ATOM 199 CA GLU A 17 16.357 8.445 -0.830 1.00 0.94 C ATOM 200 C GLU A 17 15.661 7.639 -1.933 1.00 0.85 C ATOM 201 O GLU A 17 14.604 8.002 -2.410 1.00 0.89 O ATOM 202 CB GLU A 17 17.620 9.101 -1.394 1.00 1.13 C ATOM 203 CG GLU A 17 17.229 10.210 -2.375 1.00 1.71 C ATOM 204 CD GLU A 17 16.621 11.384 -1.606 1.00 2.26 C ATOM 205 OE1 GLU A 17 17.381 12.182 -1.082 1.00 2.68 O ATOM 206 OE2 GLU A 17 15.404 11.466 -1.553 1.00 2.90 O ATOM 0 H GLU A 17 17.652 7.724 0.705 1.00 0.80 H new ATOM 0 HA GLU A 17 15.669 9.213 -0.475 1.00 0.94 H new ATOM 0 HB2 GLU A 17 18.220 9.514 -0.583 1.00 1.13 H new ATOM 0 HB3 GLU A 17 18.235 8.356 -1.898 1.00 1.13 H new ATOM 0 HG2 GLU A 17 18.105 10.542 -2.932 1.00 1.71 H new ATOM 0 HG3 GLU A 17 16.513 9.829 -3.103 1.00 1.71 H new ATOM 213 N GLN A 18 16.253 6.548 -2.348 1.00 0.80 N ATOM 214 CA GLN A 18 15.634 5.721 -3.425 1.00 0.83 C ATOM 215 C GLN A 18 14.298 5.156 -2.938 1.00 0.68 C ATOM 216 O GLN A 18 13.328 5.119 -3.668 1.00 0.69 O ATOM 217 CB GLN A 18 16.571 4.565 -3.786 1.00 0.96 C ATOM 218 CG GLN A 18 17.820 5.113 -4.477 1.00 1.53 C ATOM 219 CD GLN A 18 18.817 3.974 -4.707 1.00 2.23 C ATOM 220 OE1 GLN A 18 19.133 3.234 -3.797 1.00 2.69 O ATOM 221 NE2 GLN A 18 19.330 3.801 -5.895 1.00 3.07 N ATOM 0 H GLN A 18 17.139 6.195 -1.987 1.00 0.80 H new ATOM 0 HA GLN A 18 15.466 6.344 -4.304 1.00 0.83 H new ATOM 0 HB2 GLN A 18 16.852 4.017 -2.887 1.00 0.96 H new ATOM 0 HB3 GLN A 18 16.060 3.861 -4.442 1.00 0.96 H new ATOM 0 HG2 GLN A 18 17.551 5.572 -5.428 1.00 1.53 H new ATOM 0 HG3 GLN A 18 18.276 5.891 -3.865 1.00 1.53 H new ATOM 0 HE21 GLN A 18 19.066 4.422 -6.660 1.00 3.07 H new ATOM 0 HE22 GLN A 18 19.995 3.045 -6.058 1.00 3.07 H new ATOM 230 N ILE A 19 14.236 4.720 -1.710 1.00 0.59 N ATOM 231 CA ILE A 19 12.958 4.166 -1.183 1.00 0.58 C ATOM 232 C ILE A 19 11.917 5.281 -1.110 1.00 0.52 C ATOM 233 O ILE A 19 10.781 5.120 -1.510 1.00 0.59 O ATOM 234 CB ILE A 19 13.186 3.568 0.202 1.00 0.64 C ATOM 235 CG1 ILE A 19 14.200 2.425 0.092 1.00 0.74 C ATOM 236 CG2 ILE A 19 11.864 3.024 0.744 1.00 0.73 C ATOM 237 CD1 ILE A 19 14.665 2.000 1.489 1.00 0.81 C ATOM 0 H ILE A 19 15.014 4.723 -1.050 1.00 0.59 H new ATOM 0 HA ILE A 19 12.598 3.381 -1.848 1.00 0.58 H new ATOM 0 HB ILE A 19 13.566 4.335 0.877 1.00 0.64 H new ATOM 0 HG12 ILE A 19 13.750 1.577 -0.424 1.00 0.74 H new ATOM 0 HG13 ILE A 19 15.056 2.743 -0.504 1.00 0.74 H new ATOM 0 HG21 ILE A 19 12.025 2.596 1.734 1.00 0.73 H new ATOM 0 HG22 ILE A 19 11.138 3.834 0.813 1.00 0.73 H new ATOM 0 HG23 ILE A 19 11.485 2.253 0.073 1.00 0.73 H new ATOM 0 HD11 ILE A 19 15.386 1.187 1.401 1.00 0.81 H new ATOM 0 HD12 ILE A 19 15.133 2.847 1.990 1.00 0.81 H new ATOM 0 HD13 ILE A 19 13.807 1.663 2.071 1.00 0.81 H new ATOM 249 N MET A 20 12.309 6.420 -0.617 1.00 0.51 N ATOM 250 CA MET A 20 11.386 7.580 -0.517 1.00 0.60 C ATOM 251 C MET A 20 10.864 7.987 -1.899 1.00 0.55 C ATOM 252 O MET A 20 9.725 8.377 -2.063 1.00 0.59 O ATOM 253 CB MET A 20 12.197 8.763 0.078 1.00 0.82 C ATOM 254 CG MET A 20 11.905 8.893 1.587 1.00 1.07 C ATOM 255 SD MET A 20 10.203 9.490 1.821 1.00 1.43 S ATOM 256 CE MET A 20 9.576 8.133 2.851 1.00 0.93 C ATOM 0 H MET A 20 13.252 6.599 -0.272 1.00 0.51 H new ATOM 0 HA MET A 20 10.532 7.317 0.107 1.00 0.60 H new ATOM 0 HB2 MET A 20 13.263 8.602 -0.082 1.00 0.82 H new ATOM 0 HB3 MET A 20 11.934 9.689 -0.433 1.00 0.82 H new ATOM 0 HG2 MET A 20 12.035 7.929 2.079 1.00 1.07 H new ATOM 0 HG3 MET A 20 12.611 9.584 2.048 1.00 1.07 H new ATOM 0 HE1 MET A 20 8.561 8.362 3.176 1.00 0.93 H new ATOM 0 HE2 MET A 20 9.573 7.209 2.273 1.00 0.93 H new ATOM 0 HE3 MET A 20 10.218 8.012 3.724 1.00 0.93 H new ATOM 266 N LYS A 21 11.716 7.911 -2.894 1.00 0.57 N ATOM 267 CA LYS A 21 11.315 8.304 -4.274 1.00 0.61 C ATOM 268 C LYS A 21 10.385 7.256 -4.880 1.00 0.53 C ATOM 269 O LYS A 21 9.303 7.567 -5.326 1.00 0.51 O ATOM 270 CB LYS A 21 12.565 8.406 -5.155 1.00 0.72 C ATOM 271 CG LYS A 21 13.328 9.685 -4.825 1.00 1.09 C ATOM 272 CD LYS A 21 14.629 9.715 -5.629 1.00 1.24 C ATOM 273 CE LYS A 21 15.322 11.064 -5.435 1.00 1.80 C ATOM 274 NZ LYS A 21 14.688 12.079 -6.324 1.00 2.40 N ATOM 0 H LYS A 21 12.680 7.590 -2.804 1.00 0.57 H new ATOM 0 HA LYS A 21 10.799 9.263 -4.225 1.00 0.61 H new ATOM 0 HB2 LYS A 21 13.205 7.538 -4.995 1.00 0.72 H new ATOM 0 HB3 LYS A 21 12.281 8.403 -6.207 1.00 0.72 H new ATOM 0 HG2 LYS A 21 12.719 10.558 -5.062 1.00 1.09 H new ATOM 0 HG3 LYS A 21 13.545 9.728 -3.758 1.00 1.09 H new ATOM 0 HD2 LYS A 21 15.286 8.908 -5.306 1.00 1.24 H new ATOM 0 HD3 LYS A 21 14.419 9.552 -6.686 1.00 1.24 H new ATOM 0 HE2 LYS A 21 15.246 11.378 -4.394 1.00 1.80 H new ATOM 0 HE3 LYS A 21 16.384 10.976 -5.665 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 15.222 12.970 -6.269 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 14.692 11.733 -7.305 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 13.707 12.244 -6.019 1.00 2.40 H new ATOM 288 N THR A 22 10.789 6.014 -4.898 1.00 0.53 N ATOM 289 CA THR A 22 9.916 4.958 -5.483 1.00 0.52 C ATOM 290 C THR A 22 8.650 4.815 -4.646 1.00 0.45 C ATOM 291 O THR A 22 7.566 4.656 -5.165 1.00 0.48 O ATOM 292 CB THR A 22 10.669 3.624 -5.487 1.00 0.55 C ATOM 293 OG1 THR A 22 11.884 3.771 -6.209 1.00 0.64 O ATOM 294 CG2 THR A 22 9.806 2.549 -6.150 1.00 0.62 C ATOM 0 H THR A 22 11.684 5.687 -4.534 1.00 0.53 H new ATOM 0 HA THR A 22 9.648 5.236 -6.502 1.00 0.52 H new ATOM 0 HB THR A 22 10.888 3.327 -4.461 1.00 0.55 H new ATOM 0 HG1 THR A 22 12.553 4.205 -5.639 1.00 0.64 H new ATOM 0 HG21 THR A 22 10.344 1.601 -6.152 1.00 0.62 H new ATOM 0 HG22 THR A 22 8.874 2.437 -5.595 1.00 0.62 H new ATOM 0 HG23 THR A 22 9.584 2.842 -7.176 1.00 0.62 H new ATOM 302 N GLY A 23 8.774 4.879 -3.352 1.00 0.42 N ATOM 303 CA GLY A 23 7.572 4.746 -2.488 1.00 0.43 C ATOM 304 C GLY A 23 6.536 5.797 -2.892 1.00 0.41 C ATOM 305 O GLY A 23 5.377 5.493 -3.095 1.00 0.47 O ATOM 0 H GLY A 23 9.654 5.017 -2.856 1.00 0.42 H new ATOM 0 HA2 GLY A 23 7.149 3.746 -2.586 1.00 0.43 H new ATOM 0 HA3 GLY A 23 7.847 4.874 -1.441 1.00 0.43 H new ATOM 309 N ALA A 24 6.943 7.031 -3.007 1.00 0.40 N ATOM 310 CA ALA A 24 5.988 8.107 -3.393 1.00 0.41 C ATOM 311 C ALA A 24 5.627 8.005 -4.879 1.00 0.41 C ATOM 312 O ALA A 24 4.575 8.444 -5.302 1.00 0.41 O ATOM 313 CB ALA A 24 6.656 9.462 -3.163 1.00 0.42 C ATOM 0 H ALA A 24 7.902 7.342 -2.849 1.00 0.40 H new ATOM 0 HA ALA A 24 5.084 8.002 -2.793 1.00 0.41 H new ATOM 0 HB1 ALA A 24 5.967 10.259 -3.442 1.00 0.42 H new ATOM 0 HB2 ALA A 24 6.921 9.563 -2.111 1.00 0.42 H new ATOM 0 HB3 ALA A 24 7.557 9.532 -3.772 1.00 0.42 H new ATOM 319 N LEU A 25 6.495 7.430 -5.683 1.00 0.42 N ATOM 320 CA LEU A 25 6.190 7.319 -7.140 1.00 0.44 C ATOM 321 C LEU A 25 5.287 6.101 -7.342 1.00 0.44 C ATOM 322 O LEU A 25 4.180 6.205 -7.830 1.00 0.46 O ATOM 323 CB LEU A 25 7.501 7.184 -7.941 1.00 0.47 C ATOM 324 CG LEU A 25 7.372 7.901 -9.284 1.00 0.77 C ATOM 325 CD1 LEU A 25 8.703 7.829 -10.035 1.00 1.58 C ATOM 326 CD2 LEU A 25 6.276 7.233 -10.116 1.00 1.67 C ATOM 0 H LEU A 25 7.391 7.038 -5.393 1.00 0.42 H new ATOM 0 HA LEU A 25 5.678 8.212 -7.498 1.00 0.44 H new ATOM 0 HB2 LEU A 25 8.329 7.607 -7.372 1.00 0.47 H new ATOM 0 HB3 LEU A 25 7.731 6.131 -8.103 1.00 0.47 H new ATOM 0 HG LEU A 25 7.111 8.946 -9.113 1.00 0.77 H new ATOM 0 HD11 LEU A 25 8.609 8.341 -10.993 1.00 1.58 H new ATOM 0 HD12 LEU A 25 9.482 8.309 -9.442 1.00 1.58 H new ATOM 0 HD13 LEU A 25 8.968 6.786 -10.206 1.00 1.58 H new ATOM 0 HD21 LEU A 25 6.184 7.744 -11.074 1.00 1.67 H new ATOM 0 HD22 LEU A 25 6.534 6.188 -10.286 1.00 1.67 H new ATOM 0 HD23 LEU A 25 5.328 7.290 -9.582 1.00 1.67 H new ATOM 338 N LEU A 26 5.774 4.937 -6.985 1.00 0.45 N ATOM 339 CA LEU A 26 4.987 3.685 -7.158 1.00 0.47 C ATOM 340 C LEU A 26 3.523 3.914 -6.777 1.00 0.49 C ATOM 341 O LEU A 26 2.628 3.741 -7.579 1.00 0.52 O ATOM 342 CB LEU A 26 5.595 2.601 -6.245 1.00 0.51 C ATOM 343 CG LEU A 26 5.369 1.206 -6.848 1.00 0.69 C ATOM 344 CD1 LEU A 26 6.291 0.984 -8.068 1.00 1.17 C ATOM 345 CD2 LEU A 26 5.653 0.144 -5.776 1.00 1.35 C ATOM 0 H LEU A 26 6.699 4.804 -6.575 1.00 0.45 H new ATOM 0 HA LEU A 26 5.024 3.371 -8.201 1.00 0.47 H new ATOM 0 HB2 LEU A 26 6.662 2.781 -6.117 1.00 0.51 H new ATOM 0 HB3 LEU A 26 5.142 2.654 -5.255 1.00 0.51 H new ATOM 0 HG LEU A 26 4.335 1.125 -7.183 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.116 -0.010 -8.481 1.00 1.17 H new ATOM 0 HD12 LEU A 26 6.076 1.735 -8.828 1.00 1.17 H new ATOM 0 HD13 LEU A 26 7.332 1.069 -7.757 1.00 1.17 H new ATOM 0 HD21 LEU A 26 5.495 -0.849 -6.197 1.00 1.35 H new ATOM 0 HD22 LEU A 26 6.685 0.235 -5.439 1.00 1.35 H new ATOM 0 HD23 LEU A 26 4.981 0.291 -4.931 1.00 1.35 H new ATOM 357 N LEU A 27 3.274 4.286 -5.554 1.00 0.50 N ATOM 358 CA LEU A 27 1.869 4.507 -5.125 1.00 0.56 C ATOM 359 C LEU A 27 1.217 5.531 -6.056 1.00 0.56 C ATOM 360 O LEU A 27 0.093 5.360 -6.485 1.00 0.60 O ATOM 361 CB LEU A 27 1.857 5.006 -3.673 1.00 0.64 C ATOM 362 CG LEU A 27 0.415 5.162 -3.154 1.00 0.95 C ATOM 363 CD1 LEU A 27 -0.156 3.799 -2.747 1.00 1.66 C ATOM 364 CD2 LEU A 27 0.415 6.085 -1.931 1.00 1.42 C ATOM 0 H LEU A 27 3.981 4.446 -4.836 1.00 0.50 H new ATOM 0 HA LEU A 27 1.305 3.576 -5.178 1.00 0.56 H new ATOM 0 HB2 LEU A 27 2.401 4.306 -3.040 1.00 0.64 H new ATOM 0 HB3 LEU A 27 2.376 5.963 -3.609 1.00 0.64 H new ATOM 0 HG LEU A 27 -0.200 5.586 -3.948 1.00 0.95 H new ATOM 0 HD11 LEU A 27 -1.175 3.926 -2.382 1.00 1.66 H new ATOM 0 HD12 LEU A 27 -0.159 3.134 -3.610 1.00 1.66 H new ATOM 0 HD13 LEU A 27 0.460 3.367 -1.958 1.00 1.66 H new ATOM 0 HD21 LEU A 27 -0.604 6.198 -1.561 1.00 1.42 H new ATOM 0 HD22 LEU A 27 1.040 5.653 -1.149 1.00 1.42 H new ATOM 0 HD23 LEU A 27 0.809 7.062 -2.212 1.00 1.42 H new ATOM 376 N GLN A 28 1.901 6.595 -6.373 1.00 0.55 N ATOM 377 CA GLN A 28 1.297 7.616 -7.272 1.00 0.58 C ATOM 378 C GLN A 28 0.962 6.980 -8.627 1.00 0.54 C ATOM 379 O GLN A 28 0.071 7.419 -9.328 1.00 0.58 O ATOM 380 CB GLN A 28 2.297 8.761 -7.469 1.00 0.60 C ATOM 381 CG GLN A 28 1.755 9.770 -8.501 1.00 1.00 C ATOM 382 CD GLN A 28 2.213 9.382 -9.911 1.00 1.40 C ATOM 383 OE1 GLN A 28 1.408 9.025 -10.747 1.00 2.09 O ATOM 384 NE2 GLN A 28 3.482 9.441 -10.209 1.00 1.91 N ATOM 0 H GLN A 28 2.847 6.801 -6.050 1.00 0.55 H new ATOM 0 HA GLN A 28 0.380 8.002 -6.827 1.00 0.58 H new ATOM 0 HB2 GLN A 28 2.478 9.263 -6.519 1.00 0.60 H new ATOM 0 HB3 GLN A 28 3.254 8.363 -7.806 1.00 0.60 H new ATOM 0 HG2 GLN A 28 0.666 9.795 -8.458 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.107 10.773 -8.259 1.00 1.00 H new ATOM 0 HE21 GLN A 28 4.158 9.741 -9.506 1.00 1.91 H new ATOM 0 HE22 GLN A 28 3.798 9.187 -11.145 1.00 1.91 H new ATOM 393 N GLY A 29 1.684 5.961 -9.008 1.00 0.50 N ATOM 394 CA GLY A 29 1.427 5.306 -10.325 1.00 0.48 C ATOM 395 C GLY A 29 0.190 4.406 -10.244 1.00 0.44 C ATOM 396 O GLY A 29 -0.650 4.415 -11.122 1.00 0.50 O ATOM 0 H GLY A 29 2.443 5.552 -8.463 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.282 6.065 -11.093 1.00 0.48 H new ATOM 0 HA3 GLY A 29 2.295 4.716 -10.620 1.00 0.48 H new ATOM 400 N PHE A 30 0.073 3.621 -9.209 1.00 0.44 N ATOM 401 CA PHE A 30 -1.108 2.716 -9.094 1.00 0.43 C ATOM 402 C PHE A 30 -2.371 3.548 -8.864 1.00 0.40 C ATOM 403 O PHE A 30 -3.477 3.071 -9.028 1.00 0.43 O ATOM 404 CB PHE A 30 -0.900 1.749 -7.921 1.00 0.47 C ATOM 405 CG PHE A 30 -2.132 0.887 -7.731 1.00 0.47 C ATOM 406 CD1 PHE A 30 -2.554 0.029 -8.758 1.00 1.20 C ATOM 407 CD2 PHE A 30 -2.850 0.936 -6.526 1.00 1.39 C ATOM 408 CE1 PHE A 30 -3.687 -0.774 -8.579 1.00 1.21 C ATOM 409 CE2 PHE A 30 -3.983 0.133 -6.351 1.00 1.42 C ATOM 410 CZ PHE A 30 -4.401 -0.722 -7.377 1.00 0.58 C ATOM 0 H PHE A 30 0.741 3.566 -8.440 1.00 0.44 H new ATOM 0 HA PHE A 30 -1.219 2.144 -10.015 1.00 0.43 H new ATOM 0 HB2 PHE A 30 -0.031 1.118 -8.109 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -0.695 2.310 -7.009 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -2.005 -0.012 -9.687 1.00 1.20 H new ATOM 0 HD2 PHE A 30 -2.528 1.594 -5.733 1.00 1.39 H new ATOM 0 HE1 PHE A 30 -4.010 -1.434 -9.370 1.00 1.21 H new ATOM 0 HE2 PHE A 30 -4.535 0.173 -5.424 1.00 1.42 H new ATOM 0 HZ PHE A 30 -5.275 -1.342 -7.241 1.00 0.58 H new ATOM 420 N ILE A 31 -2.221 4.796 -8.500 1.00 0.40 N ATOM 421 CA ILE A 31 -3.420 5.660 -8.277 1.00 0.40 C ATOM 422 C ILE A 31 -3.833 6.273 -9.622 1.00 0.40 C ATOM 423 O ILE A 31 -4.965 6.146 -10.046 1.00 0.43 O ATOM 424 CB ILE A 31 -3.076 6.759 -7.261 1.00 0.41 C ATOM 425 CG1 ILE A 31 -2.928 6.137 -5.869 1.00 0.53 C ATOM 426 CG2 ILE A 31 -4.178 7.821 -7.229 1.00 0.72 C ATOM 427 CD1 ILE A 31 -2.302 7.156 -4.914 1.00 0.48 C ATOM 0 H ILE A 31 -1.322 5.254 -8.348 1.00 0.40 H new ATOM 0 HA ILE A 31 -4.248 5.073 -7.879 1.00 0.40 H new ATOM 0 HB ILE A 31 -2.140 7.232 -7.557 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -3.902 5.824 -5.494 1.00 0.53 H new ATOM 0 HG13 ILE A 31 -2.305 5.244 -5.923 1.00 0.53 H new ATOM 0 HG21 ILE A 31 -3.919 8.593 -6.504 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -4.279 8.271 -8.217 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -5.122 7.357 -6.943 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -2.198 6.711 -3.924 1.00 0.48 H new ATOM 0 HD12 ILE A 31 -1.320 7.448 -5.286 1.00 0.48 H new ATOM 0 HD13 ILE A 31 -2.942 8.036 -4.851 1.00 0.48 H new ATOM 439 N GLN A 32 -2.934 6.928 -10.300 1.00 0.42 N ATOM 440 CA GLN A 32 -3.290 7.535 -11.616 1.00 0.47 C ATOM 441 C GLN A 32 -3.898 6.470 -12.542 1.00 0.50 C ATOM 442 O GLN A 32 -4.845 6.729 -13.258 1.00 0.61 O ATOM 443 CB GLN A 32 -2.031 8.127 -12.256 1.00 0.57 C ATOM 444 CG GLN A 32 -2.378 8.766 -13.611 1.00 1.19 C ATOM 445 CD GLN A 32 -2.401 7.696 -14.707 1.00 1.59 C ATOM 446 OE1 GLN A 32 -2.104 6.544 -14.457 1.00 2.16 O ATOM 447 NE2 GLN A 32 -2.741 8.032 -15.921 1.00 2.21 N ATOM 0 H GLN A 32 -1.969 7.070 -10.002 1.00 0.42 H new ATOM 0 HA GLN A 32 -4.026 8.324 -11.463 1.00 0.47 H new ATOM 0 HB2 GLN A 32 -1.594 8.874 -11.594 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -1.282 7.347 -12.394 1.00 0.57 H new ATOM 0 HG2 GLN A 32 -3.349 9.258 -13.552 1.00 1.19 H new ATOM 0 HG3 GLN A 32 -1.646 9.535 -13.858 1.00 1.19 H new ATOM 0 HE21 GLN A 32 -2.990 8.998 -16.132 1.00 2.21 H new ATOM 0 HE22 GLN A 32 -2.757 7.328 -16.659 1.00 2.21 H new ATOM 456 N ASP A 33 -3.362 5.277 -12.538 1.00 0.49 N ATOM 457 CA ASP A 33 -3.904 4.195 -13.420 1.00 0.58 C ATOM 458 C ASP A 33 -5.288 3.754 -12.930 1.00 0.61 C ATOM 459 O ASP A 33 -6.218 3.600 -13.697 1.00 0.70 O ATOM 460 CB ASP A 33 -2.952 2.998 -13.362 1.00 0.61 C ATOM 461 CG ASP A 33 -1.568 3.423 -13.858 1.00 1.10 C ATOM 462 OD1 ASP A 33 -1.506 4.101 -14.870 1.00 1.89 O ATOM 463 OD2 ASP A 33 -0.594 3.066 -13.215 1.00 1.78 O ATOM 0 H ASP A 33 -2.568 5.002 -11.959 1.00 0.49 H new ATOM 0 HA ASP A 33 -3.991 4.569 -14.440 1.00 0.58 H new ATOM 0 HB2 ASP A 33 -2.885 2.622 -12.341 1.00 0.61 H new ATOM 0 HB3 ASP A 33 -3.336 2.184 -13.977 1.00 0.61 H new ATOM 468 N ARG A 34 -5.420 3.559 -11.650 1.00 0.58 N ATOM 469 CA ARG A 34 -6.721 3.134 -11.056 1.00 0.71 C ATOM 470 C ARG A 34 -7.787 4.223 -11.239 1.00 0.65 C ATOM 471 O ARG A 34 -8.938 3.933 -11.497 1.00 0.85 O ATOM 472 CB ARG A 34 -6.511 2.898 -9.551 1.00 0.85 C ATOM 473 CG ARG A 34 -5.792 1.552 -9.316 1.00 1.25 C ATOM 474 CD ARG A 34 -6.813 0.407 -9.224 1.00 1.31 C ATOM 475 NE ARG A 34 -7.609 0.547 -7.972 1.00 1.58 N ATOM 476 CZ ARG A 34 -8.722 -0.120 -7.828 1.00 2.09 C ATOM 477 NH1 ARG A 34 -9.142 -0.906 -8.782 1.00 2.58 N ATOM 478 NH2 ARG A 34 -9.416 -0.001 -6.729 1.00 2.75 N ATOM 0 H ARG A 34 -4.666 3.678 -10.974 1.00 0.58 H new ATOM 0 HA ARG A 34 -7.060 2.226 -11.554 1.00 0.71 H new ATOM 0 HB2 ARG A 34 -5.923 3.712 -9.127 1.00 0.85 H new ATOM 0 HB3 ARG A 34 -7.473 2.899 -9.038 1.00 0.85 H new ATOM 0 HG2 ARG A 34 -5.093 1.359 -10.130 1.00 1.25 H new ATOM 0 HG3 ARG A 34 -5.207 1.601 -8.398 1.00 1.25 H new ATOM 0 HD2 ARG A 34 -7.474 0.425 -10.091 1.00 1.31 H new ATOM 0 HD3 ARG A 34 -6.299 -0.554 -9.235 1.00 1.31 H new ATOM 0 HE ARG A 34 -7.284 1.164 -7.228 1.00 1.58 H new ATOM 0 HH11 ARG A 34 -8.600 -1.000 -9.641 1.00 2.58 H new ATOM 0 HH12 ARG A 34 -10.012 -1.427 -8.668 1.00 2.58 H new ATOM 0 HH21 ARG A 34 -9.089 0.613 -5.983 1.00 2.75 H new ATOM 0 HH22 ARG A 34 -10.286 -0.522 -6.616 1.00 2.75 H new ATOM 492 N ALA A 35 -7.429 5.466 -11.073 1.00 0.59 N ATOM 493 CA ALA A 35 -8.454 6.544 -11.200 1.00 0.66 C ATOM 494 C ALA A 35 -9.118 6.496 -12.584 1.00 0.80 C ATOM 495 O ALA A 35 -10.222 6.968 -12.767 1.00 0.88 O ATOM 496 CB ALA A 35 -7.820 7.914 -10.963 1.00 0.94 C ATOM 0 H ALA A 35 -6.483 5.781 -10.857 1.00 0.59 H new ATOM 0 HA ALA A 35 -9.221 6.380 -10.443 1.00 0.66 H new ATOM 0 HB1 ALA A 35 -8.581 8.689 -11.059 1.00 0.94 H new ATOM 0 HB2 ALA A 35 -7.392 7.948 -9.961 1.00 0.94 H new ATOM 0 HB3 ALA A 35 -7.034 8.084 -11.699 1.00 0.94 H new ATOM 751 N ALA A 54 11.027 1.410 -16.997 1.00 0.91 N ATOM 752 CA ALA A 54 10.683 -0.004 -17.332 1.00 0.84 C ATOM 753 C ALA A 54 10.461 -0.816 -16.053 1.00 0.76 C ATOM 754 O ALA A 54 9.635 -1.706 -16.010 1.00 0.75 O ATOM 755 CB ALA A 54 11.836 -0.624 -18.123 1.00 0.95 C ATOM 0 HA ALA A 54 9.768 -0.016 -17.924 1.00 0.84 H new ATOM 0 HB1 ALA A 54 11.593 -1.657 -18.372 1.00 0.95 H new ATOM 0 HB2 ALA A 54 11.994 -0.057 -19.041 1.00 0.95 H new ATOM 0 HB3 ALA A 54 12.744 -0.600 -17.521 1.00 0.95 H new ATOM 761 N SER A 55 11.177 -0.509 -15.007 1.00 0.75 N ATOM 762 CA SER A 55 10.995 -1.254 -13.727 1.00 0.71 C ATOM 763 C SER A 55 9.699 -0.806 -13.064 1.00 0.66 C ATOM 764 O SER A 55 8.898 -1.614 -12.636 1.00 0.66 O ATOM 765 CB SER A 55 12.159 -0.941 -12.789 1.00 0.76 C ATOM 766 OG SER A 55 13.371 -1.394 -13.377 1.00 1.37 O ATOM 0 H SER A 55 11.882 0.227 -14.982 1.00 0.75 H new ATOM 0 HA SER A 55 10.959 -2.324 -13.932 1.00 0.71 H new ATOM 0 HB2 SER A 55 12.211 0.131 -12.601 1.00 0.76 H new ATOM 0 HB3 SER A 55 12.005 -1.427 -11.825 1.00 0.76 H new ATOM 0 HG SER A 55 14.120 -1.193 -12.778 1.00 1.37 H new ATOM 772 N THR A 56 9.490 0.478 -12.951 1.00 0.65 N ATOM 773 CA THR A 56 8.251 0.957 -12.286 1.00 0.62 C ATOM 774 C THR A 56 7.056 0.660 -13.193 1.00 0.59 C ATOM 775 O THR A 56 5.928 0.577 -12.747 1.00 0.57 O ATOM 776 CB THR A 56 8.358 2.462 -12.019 1.00 0.67 C ATOM 777 OG1 THR A 56 9.605 2.745 -11.400 1.00 1.09 O ATOM 778 CG2 THR A 56 7.221 2.910 -11.102 1.00 1.06 C ATOM 0 H THR A 56 10.119 1.207 -13.288 1.00 0.65 H new ATOM 0 HA THR A 56 8.116 0.445 -11.333 1.00 0.62 H new ATOM 0 HB THR A 56 8.288 3.000 -12.965 1.00 0.67 H new ATOM 0 HG1 THR A 56 9.675 3.708 -11.230 1.00 1.09 H new ATOM 0 HG21 THR A 56 7.304 3.981 -10.917 1.00 1.06 H new ATOM 0 HG22 THR A 56 6.264 2.697 -11.578 1.00 1.06 H new ATOM 0 HG23 THR A 56 7.283 2.372 -10.156 1.00 1.06 H new ATOM 786 N LYS A 57 7.298 0.490 -14.465 1.00 0.61 N ATOM 787 CA LYS A 57 6.177 0.193 -15.398 1.00 0.59 C ATOM 788 C LYS A 57 5.723 -1.255 -15.186 1.00 0.54 C ATOM 789 O LYS A 57 4.547 -1.533 -15.044 1.00 0.52 O ATOM 790 CB LYS A 57 6.652 0.402 -16.845 1.00 0.65 C ATOM 791 CG LYS A 57 5.648 -0.205 -17.835 1.00 1.20 C ATOM 792 CD LYS A 57 6.021 0.209 -19.262 1.00 1.33 C ATOM 793 CE LYS A 57 5.299 -0.697 -20.263 1.00 1.94 C ATOM 794 NZ LYS A 57 3.840 -0.709 -19.961 1.00 2.73 N ATOM 0 H LYS A 57 8.221 0.544 -14.896 1.00 0.61 H new ATOM 0 HA LYS A 57 5.338 0.861 -15.205 1.00 0.59 H new ATOM 0 HB2 LYS A 57 6.770 1.467 -17.045 1.00 0.65 H new ATOM 0 HB3 LYS A 57 7.630 -0.058 -16.983 1.00 0.65 H new ATOM 0 HG2 LYS A 57 5.648 -1.292 -17.749 1.00 1.20 H new ATOM 0 HG3 LYS A 57 4.639 0.133 -17.599 1.00 1.20 H new ATOM 0 HD2 LYS A 57 5.746 1.250 -19.433 1.00 1.33 H new ATOM 0 HD3 LYS A 57 7.099 0.137 -19.403 1.00 1.33 H new ATOM 0 HE2 LYS A 57 5.468 -0.341 -21.279 1.00 1.94 H new ATOM 0 HE3 LYS A 57 5.701 -1.709 -20.209 1.00 1.94 H new ATOM 0 HZ1 LYS A 57 3.318 -1.074 -20.783 1.00 2.73 H new ATOM 0 HZ2 LYS A 57 3.661 -1.320 -19.138 1.00 2.73 H new ATOM 0 HZ3 LYS A 57 3.521 0.258 -19.750 1.00 2.73 H new ATOM 808 N LYS A 58 6.642 -2.181 -15.149 1.00 0.55 N ATOM 809 CA LYS A 58 6.244 -3.599 -14.934 1.00 0.53 C ATOM 810 C LYS A 58 5.698 -3.739 -13.512 1.00 0.48 C ATOM 811 O LYS A 58 4.774 -4.488 -13.265 1.00 0.46 O ATOM 812 CB LYS A 58 7.464 -4.509 -15.121 1.00 0.56 C ATOM 813 CG LYS A 58 7.743 -4.694 -16.617 1.00 0.78 C ATOM 814 CD LYS A 58 8.941 -5.635 -16.812 1.00 0.96 C ATOM 815 CE LYS A 58 8.625 -7.032 -16.245 1.00 0.85 C ATOM 816 NZ LYS A 58 9.127 -7.120 -14.845 1.00 1.75 N ATOM 0 H LYS A 58 7.643 -2.018 -15.257 1.00 0.55 H new ATOM 0 HA LYS A 58 5.478 -3.889 -15.653 1.00 0.53 H new ATOM 0 HB2 LYS A 58 8.334 -4.073 -14.630 1.00 0.56 H new ATOM 0 HB3 LYS A 58 7.284 -5.476 -14.652 1.00 0.56 H new ATOM 0 HG2 LYS A 58 6.863 -5.104 -17.112 1.00 0.78 H new ATOM 0 HG3 LYS A 58 7.948 -3.729 -17.080 1.00 0.78 H new ATOM 0 HD2 LYS A 58 9.182 -5.712 -17.872 1.00 0.96 H new ATOM 0 HD3 LYS A 58 9.819 -5.224 -16.314 1.00 0.96 H new ATOM 0 HE2 LYS A 58 7.550 -7.213 -16.270 1.00 0.85 H new ATOM 0 HE3 LYS A 58 9.092 -7.801 -16.860 1.00 0.85 H new ATOM 0 HZ1 LYS A 58 9.921 -7.791 -14.802 1.00 1.75 H new ATOM 0 HZ2 LYS A 58 9.449 -6.182 -14.532 1.00 1.75 H new ATOM 0 HZ3 LYS A 58 8.362 -7.449 -14.222 1.00 1.75 H new ATOM 830 N LEU A 59 6.268 -3.050 -12.564 1.00 0.50 N ATOM 831 CA LEU A 59 5.765 -3.196 -11.171 1.00 0.47 C ATOM 832 C LEU A 59 4.337 -2.630 -11.099 1.00 0.43 C ATOM 833 O LEU A 59 3.568 -2.960 -10.218 1.00 0.42 O ATOM 834 CB LEU A 59 6.712 -2.458 -10.197 1.00 0.53 C ATOM 835 CG LEU A 59 7.300 -3.420 -9.158 1.00 0.71 C ATOM 836 CD1 LEU A 59 8.449 -2.725 -8.424 1.00 1.07 C ATOM 837 CD2 LEU A 59 6.219 -3.805 -8.144 1.00 1.34 C ATOM 0 H LEU A 59 7.047 -2.403 -12.689 1.00 0.50 H new ATOM 0 HA LEU A 59 5.741 -4.247 -10.882 1.00 0.47 H new ATOM 0 HB2 LEU A 59 7.519 -1.987 -10.758 1.00 0.53 H new ATOM 0 HB3 LEU A 59 6.168 -1.661 -9.691 1.00 0.53 H new ATOM 0 HG LEU A 59 7.666 -4.316 -9.659 1.00 0.71 H new ATOM 0 HD11 LEU A 59 8.871 -3.404 -7.684 1.00 1.07 H new ATOM 0 HD12 LEU A 59 9.221 -2.443 -9.140 1.00 1.07 H new ATOM 0 HD13 LEU A 59 8.074 -1.832 -7.925 1.00 1.07 H new ATOM 0 HD21 LEU A 59 6.639 -4.489 -7.406 1.00 1.34 H new ATOM 0 HD22 LEU A 59 5.855 -2.908 -7.642 1.00 1.34 H new ATOM 0 HD23 LEU A 59 5.392 -4.292 -8.661 1.00 1.34 H new ATOM 849 N SER A 60 3.972 -1.812 -12.052 1.00 0.43 N ATOM 850 CA SER A 60 2.587 -1.258 -12.079 1.00 0.42 C ATOM 851 C SER A 60 1.651 -2.370 -12.561 1.00 0.39 C ATOM 852 O SER A 60 0.509 -2.462 -12.154 1.00 0.41 O ATOM 853 CB SER A 60 2.536 -0.081 -13.056 1.00 0.47 C ATOM 854 OG SER A 60 3.544 0.859 -12.708 1.00 1.36 O ATOM 0 H SER A 60 4.576 -1.504 -12.814 1.00 0.43 H new ATOM 0 HA SER A 60 2.287 -0.911 -11.090 1.00 0.42 H new ATOM 0 HB2 SER A 60 2.687 -0.433 -14.076 1.00 0.47 H new ATOM 0 HB3 SER A 60 1.554 0.392 -13.024 1.00 0.47 H new ATOM 0 HG SER A 60 4.415 0.534 -13.017 1.00 1.36 H new ATOM 860 N GLU A 61 2.153 -3.235 -13.403 1.00 0.38 N ATOM 861 CA GLU A 61 1.334 -4.380 -13.904 1.00 0.38 C ATOM 862 C GLU A 61 0.966 -5.294 -12.736 1.00 0.38 C ATOM 863 O GLU A 61 -0.134 -5.799 -12.669 1.00 0.41 O ATOM 864 CB GLU A 61 2.135 -5.189 -14.929 1.00 0.39 C ATOM 865 CG GLU A 61 2.407 -4.337 -16.180 1.00 1.06 C ATOM 866 CD GLU A 61 1.221 -4.429 -17.146 1.00 1.67 C ATOM 867 OE1 GLU A 61 0.096 -4.457 -16.673 1.00 2.25 O ATOM 868 OE2 GLU A 61 1.459 -4.469 -18.342 1.00 2.40 O ATOM 0 H GLU A 61 3.104 -3.197 -13.769 1.00 0.38 H new ATOM 0 HA GLU A 61 0.431 -3.988 -14.372 1.00 0.38 H new ATOM 0 HB2 GLU A 61 3.078 -5.515 -14.490 1.00 0.39 H new ATOM 0 HB3 GLU A 61 1.584 -6.088 -15.205 1.00 0.39 H new ATOM 0 HG2 GLU A 61 2.573 -3.299 -15.893 1.00 1.06 H new ATOM 0 HG3 GLU A 61 3.316 -4.681 -16.674 1.00 1.06 H new ATOM 875 N CYS A 62 1.845 -5.502 -11.803 1.00 0.37 N ATOM 876 CA CYS A 62 1.477 -6.382 -10.659 1.00 0.39 C ATOM 877 C CYS A 62 0.346 -5.712 -9.871 1.00 0.38 C ATOM 878 O CYS A 62 -0.635 -6.335 -9.513 1.00 0.44 O ATOM 879 CB CYS A 62 2.692 -6.589 -9.755 1.00 0.41 C ATOM 880 SG CYS A 62 3.995 -7.432 -10.686 1.00 1.62 S ATOM 0 H CYS A 62 2.787 -5.111 -11.778 1.00 0.37 H new ATOM 0 HA CYS A 62 1.146 -7.353 -11.026 1.00 0.39 H new ATOM 0 HB2 CYS A 62 3.055 -5.629 -9.388 1.00 0.41 H new ATOM 0 HB3 CYS A 62 2.413 -7.179 -8.882 1.00 0.41 H new ATOM 0 HG CYS A 62 5.031 -7.608 -9.921 1.00 1.62 H new ATOM 886 N LEU A 63 0.472 -4.437 -9.624 1.00 0.35 N ATOM 887 CA LEU A 63 -0.586 -3.685 -8.887 1.00 0.36 C ATOM 888 C LEU A 63 -1.826 -3.522 -9.778 1.00 0.36 C ATOM 889 O LEU A 63 -2.946 -3.625 -9.318 1.00 0.41 O ATOM 890 CB LEU A 63 -0.033 -2.306 -8.515 1.00 0.38 C ATOM 891 CG LEU A 63 1.225 -2.471 -7.644 1.00 0.69 C ATOM 892 CD1 LEU A 63 1.919 -1.115 -7.493 1.00 1.39 C ATOM 893 CD2 LEU A 63 0.839 -2.981 -6.244 1.00 1.11 C ATOM 0 H LEU A 63 1.275 -3.875 -9.906 1.00 0.35 H new ATOM 0 HA LEU A 63 -0.870 -4.230 -7.987 1.00 0.36 H new ATOM 0 HB2 LEU A 63 0.209 -1.745 -9.418 1.00 0.38 H new ATOM 0 HB3 LEU A 63 -0.788 -1.734 -7.976 1.00 0.38 H new ATOM 0 HG LEU A 63 1.891 -3.188 -8.123 1.00 0.69 H new ATOM 0 HD11 LEU A 63 2.811 -1.229 -6.876 1.00 1.39 H new ATOM 0 HD12 LEU A 63 2.203 -0.740 -8.476 1.00 1.39 H new ATOM 0 HD13 LEU A 63 1.238 -0.408 -7.019 1.00 1.39 H new ATOM 0 HD21 LEU A 63 1.738 -3.094 -5.637 1.00 1.11 H new ATOM 0 HD22 LEU A 63 0.168 -2.266 -5.769 1.00 1.11 H new ATOM 0 HD23 LEU A 63 0.338 -3.945 -6.333 1.00 1.11 H new ATOM 905 N LYS A 64 -1.639 -3.265 -11.042 1.00 0.35 N ATOM 906 CA LYS A 64 -2.808 -3.092 -11.957 1.00 0.37 C ATOM 907 C LYS A 64 -3.480 -4.452 -12.204 1.00 0.39 C ATOM 908 O LYS A 64 -4.687 -4.573 -12.147 1.00 0.43 O ATOM 909 CB LYS A 64 -2.314 -2.482 -13.281 1.00 0.38 C ATOM 910 CG LYS A 64 -3.304 -2.775 -14.424 1.00 0.82 C ATOM 911 CD LYS A 64 -3.079 -1.798 -15.594 1.00 1.35 C ATOM 912 CE LYS A 64 -3.881 -0.509 -15.374 1.00 1.38 C ATOM 913 NZ LYS A 64 -3.495 0.493 -16.407 1.00 2.09 N ATOM 0 H LYS A 64 -0.725 -3.166 -11.485 1.00 0.35 H new ATOM 0 HA LYS A 64 -3.543 -2.425 -11.506 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -2.193 -1.405 -13.167 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -1.334 -2.889 -13.530 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.177 -3.801 -14.769 1.00 0.82 H new ATOM 0 HG3 LYS A 64 -4.327 -2.686 -14.059 1.00 0.82 H new ATOM 0 HD2 LYS A 64 -2.018 -1.564 -15.682 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -3.381 -2.266 -16.531 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -4.949 -0.717 -15.434 1.00 1.38 H new ATOM 0 HE3 LYS A 64 -3.689 -0.113 -14.377 1.00 1.38 H new ATOM 0 HZ1 LYS A 64 -4.037 1.369 -16.261 1.00 2.09 H new ATOM 0 HZ2 LYS A 64 -2.478 0.698 -16.329 1.00 2.09 H new ATOM 0 HZ3 LYS A 64 -3.700 0.113 -17.353 1.00 2.09 H new ATOM 927 N ARG A 65 -2.716 -5.471 -12.480 1.00 0.43 N ATOM 928 CA ARG A 65 -3.323 -6.811 -12.730 1.00 0.47 C ATOM 929 C ARG A 65 -4.091 -7.273 -11.488 1.00 0.50 C ATOM 930 O ARG A 65 -5.134 -7.888 -11.586 1.00 0.54 O ATOM 931 CB ARG A 65 -2.215 -7.818 -13.048 1.00 0.45 C ATOM 932 CG ARG A 65 -1.682 -7.556 -14.461 1.00 0.94 C ATOM 933 CD ARG A 65 -0.556 -8.541 -14.784 1.00 1.55 C ATOM 934 NE ARG A 65 -1.148 -9.855 -15.161 1.00 1.86 N ATOM 935 CZ ARG A 65 -0.413 -10.759 -15.748 1.00 2.39 C ATOM 936 NH1 ARG A 65 0.843 -10.515 -16.001 1.00 2.94 N ATOM 937 NH2 ARG A 65 -0.935 -11.908 -16.079 1.00 2.92 N ATOM 0 H ARG A 65 -1.699 -5.436 -12.544 1.00 0.43 H new ATOM 0 HA ARG A 65 -4.011 -6.744 -13.573 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -1.408 -7.730 -12.321 1.00 0.45 H new ATOM 0 HB3 ARG A 65 -2.600 -8.835 -12.975 1.00 0.45 H new ATOM 0 HG2 ARG A 65 -2.487 -7.660 -15.188 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -1.315 -6.533 -14.537 1.00 0.94 H new ATOM 0 HD2 ARG A 65 0.056 -8.157 -15.600 1.00 1.55 H new ATOM 0 HD3 ARG A 65 0.100 -8.658 -13.921 1.00 1.55 H new ATOM 0 HE ARG A 65 -2.129 -10.048 -14.960 1.00 1.86 H new ATOM 0 HH11 ARG A 65 1.251 -9.617 -15.740 1.00 2.94 H new ATOM 0 HH12 ARG A 65 1.417 -11.222 -16.460 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -1.917 -12.099 -15.879 1.00 2.92 H new ATOM 0 HH22 ARG A 65 -0.361 -12.616 -16.538 1.00 2.92 H new ATOM 951 N ILE A 66 -3.581 -6.986 -10.323 1.00 0.49 N ATOM 952 CA ILE A 66 -4.277 -7.413 -9.075 1.00 0.53 C ATOM 953 C ILE A 66 -5.474 -6.492 -8.814 1.00 0.54 C ATOM 954 O ILE A 66 -6.583 -6.944 -8.606 1.00 0.60 O ATOM 955 CB ILE A 66 -3.290 -7.327 -7.899 1.00 0.52 C ATOM 956 CG1 ILE A 66 -2.306 -8.497 -7.973 1.00 1.22 C ATOM 957 CG2 ILE A 66 -4.038 -7.374 -6.559 1.00 1.29 C ATOM 958 CD1 ILE A 66 -1.153 -8.252 -6.998 1.00 1.25 C ATOM 0 H ILE A 66 -2.711 -6.473 -10.180 1.00 0.49 H new ATOM 0 HA ILE A 66 -4.633 -8.438 -9.182 1.00 0.53 H new ATOM 0 HB ILE A 66 -2.750 -6.382 -7.965 1.00 0.52 H new ATOM 0 HG12 ILE A 66 -2.813 -9.430 -7.727 1.00 1.22 H new ATOM 0 HG13 ILE A 66 -1.923 -8.601 -8.988 1.00 1.22 H new ATOM 0 HG21 ILE A 66 -3.321 -7.312 -5.740 1.00 1.29 H new ATOM 0 HG22 ILE A 66 -4.731 -6.535 -6.499 1.00 1.29 H new ATOM 0 HG23 ILE A 66 -4.593 -8.309 -6.485 1.00 1.29 H new ATOM 0 HD11 ILE A 66 -0.451 -9.084 -7.049 1.00 1.25 H new ATOM 0 HD12 ILE A 66 -0.641 -7.328 -7.265 1.00 1.25 H new ATOM 0 HD13 ILE A 66 -1.545 -8.169 -5.984 1.00 1.25 H new ATOM 970 N GLY A 67 -5.266 -5.205 -8.841 1.00 0.52 N ATOM 971 CA GLY A 67 -6.392 -4.256 -8.611 1.00 0.55 C ATOM 972 C GLY A 67 -7.561 -4.585 -9.538 1.00 0.53 C ATOM 973 O GLY A 67 -8.687 -4.733 -9.098 1.00 0.63 O ATOM 0 H GLY A 67 -4.361 -4.767 -9.013 1.00 0.52 H new ATOM 0 HA2 GLY A 67 -6.716 -4.311 -7.572 1.00 0.55 H new ATOM 0 HA3 GLY A 67 -6.057 -3.234 -8.786 1.00 0.55 H new ATOM 977 N ASP A 68 -7.324 -4.700 -10.816 1.00 0.54 N ATOM 978 CA ASP A 68 -8.437 -5.014 -11.754 1.00 0.54 C ATOM 979 C ASP A 68 -8.965 -6.425 -11.491 1.00 0.52 C ATOM 980 O ASP A 68 -10.088 -6.748 -11.825 1.00 0.56 O ATOM 981 CB ASP A 68 -7.914 -4.930 -13.190 1.00 0.60 C ATOM 982 CG ASP A 68 -9.056 -5.201 -14.170 1.00 1.43 C ATOM 983 OD1 ASP A 68 -9.300 -6.361 -14.457 1.00 2.20 O ATOM 984 OD2 ASP A 68 -9.666 -4.244 -14.617 1.00 2.12 O ATOM 0 H ASP A 68 -6.408 -4.590 -11.250 1.00 0.54 H new ATOM 0 HA ASP A 68 -9.246 -4.299 -11.606 1.00 0.54 H new ATOM 0 HB2 ASP A 68 -7.489 -3.944 -13.376 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -7.114 -5.655 -13.339 1.00 0.60 H new ATOM 989 N GLU A 69 -8.166 -7.274 -10.900 1.00 0.56 N ATOM 990 CA GLU A 69 -8.625 -8.670 -10.622 1.00 0.56 C ATOM 991 C GLU A 69 -9.195 -8.748 -9.204 1.00 0.55 C ATOM 992 O GLU A 69 -9.906 -9.677 -8.876 1.00 0.73 O ATOM 993 CB GLU A 69 -7.437 -9.627 -10.750 1.00 0.61 C ATOM 994 CG GLU A 69 -7.925 -11.076 -10.640 1.00 0.84 C ATOM 995 CD GLU A 69 -6.833 -12.023 -11.139 1.00 1.65 C ATOM 996 OE1 GLU A 69 -6.352 -11.813 -12.241 1.00 2.23 O ATOM 997 OE2 GLU A 69 -6.496 -12.943 -10.412 1.00 2.48 O ATOM 0 H GLU A 69 -7.215 -7.063 -10.597 1.00 0.56 H new ATOM 0 HA GLU A 69 -9.398 -8.950 -11.337 1.00 0.56 H new ATOM 0 HB2 GLU A 69 -6.936 -9.474 -11.706 1.00 0.61 H new ATOM 0 HB3 GLU A 69 -6.705 -9.420 -9.969 1.00 0.61 H new ATOM 0 HG2 GLU A 69 -8.177 -11.308 -9.605 1.00 0.84 H new ATOM 0 HG3 GLU A 69 -8.833 -11.210 -11.227 1.00 0.84 H new ATOM 1004 N LEU A 70 -8.883 -7.813 -8.343 1.00 0.53 N ATOM 1005 CA LEU A 70 -9.417 -7.905 -6.949 1.00 0.52 C ATOM 1006 C LEU A 70 -10.874 -7.428 -6.921 1.00 0.54 C ATOM 1007 O LEU A 70 -11.656 -7.841 -6.088 1.00 0.60 O ATOM 1008 CB LEU A 70 -8.552 -7.054 -5.996 1.00 0.61 C ATOM 1009 CG LEU A 70 -8.486 -7.708 -4.597 1.00 0.70 C ATOM 1010 CD1 LEU A 70 -7.349 -8.734 -4.555 1.00 1.38 C ATOM 1011 CD2 LEU A 70 -8.231 -6.634 -3.533 1.00 1.61 C ATOM 0 H LEU A 70 -8.293 -7.004 -8.538 1.00 0.53 H new ATOM 0 HA LEU A 70 -9.380 -8.942 -6.617 1.00 0.52 H new ATOM 0 HB2 LEU A 70 -7.546 -6.950 -6.403 1.00 0.61 H new ATOM 0 HB3 LEU A 70 -8.969 -6.050 -5.916 1.00 0.61 H new ATOM 0 HG LEU A 70 -9.435 -8.205 -4.396 1.00 0.70 H new ATOM 0 HD11 LEU A 70 -7.308 -9.191 -3.566 1.00 1.38 H new ATOM 0 HD12 LEU A 70 -7.527 -9.505 -5.304 1.00 1.38 H new ATOM 0 HD13 LEU A 70 -6.402 -8.236 -4.764 1.00 1.38 H new ATOM 0 HD21 LEU A 70 -8.185 -7.100 -2.549 1.00 1.61 H new ATOM 0 HD22 LEU A 70 -7.286 -6.133 -3.741 1.00 1.61 H new ATOM 0 HD23 LEU A 70 -9.040 -5.904 -3.551 1.00 1.61 H new ATOM 1023 N ASP A 71 -11.252 -6.589 -7.848 1.00 0.67 N ATOM 1024 CA ASP A 71 -12.666 -6.123 -7.889 1.00 0.91 C ATOM 1025 C ASP A 71 -13.538 -7.304 -8.311 1.00 1.02 C ATOM 1026 O ASP A 71 -14.750 -7.234 -8.350 1.00 1.29 O ATOM 1027 CB ASP A 71 -12.807 -4.991 -8.908 1.00 1.09 C ATOM 1028 CG ASP A 71 -14.263 -4.521 -8.949 1.00 1.66 C ATOM 1029 OD1 ASP A 71 -14.938 -4.661 -7.942 1.00 2.25 O ATOM 1030 OD2 ASP A 71 -14.677 -4.031 -9.985 1.00 2.36 O ATOM 0 H ASP A 71 -10.646 -6.209 -8.575 1.00 0.67 H new ATOM 0 HA ASP A 71 -12.972 -5.753 -6.911 1.00 0.91 H new ATOM 0 HB2 ASP A 71 -12.153 -4.161 -8.639 1.00 1.09 H new ATOM 0 HB3 ASP A 71 -12.496 -5.335 -9.895 1.00 1.09 H new ATOM 1035 N SER A 72 -12.893 -8.387 -8.638 1.00 0.90 N ATOM 1036 CA SER A 72 -13.600 -9.618 -9.082 1.00 1.20 C ATOM 1037 C SER A 72 -14.567 -10.130 -8.017 1.00 0.98 C ATOM 1038 O SER A 72 -15.463 -10.891 -8.326 1.00 1.02 O ATOM 1039 CB SER A 72 -12.557 -10.707 -9.336 1.00 1.57 C ATOM 1040 OG SER A 72 -11.902 -11.024 -8.115 1.00 2.09 O ATOM 0 H SER A 72 -11.877 -8.472 -8.615 1.00 0.90 H new ATOM 0 HA SER A 72 -14.168 -9.380 -9.981 1.00 1.20 H new ATOM 0 HB2 SER A 72 -13.035 -11.596 -9.747 1.00 1.57 H new ATOM 0 HB3 SER A 72 -11.831 -10.366 -10.074 1.00 1.57 H new ATOM 0 HG SER A 72 -10.981 -10.690 -8.141 1.00 2.09 H new ATOM 1046 N ASN A 73 -14.391 -9.760 -6.760 1.00 0.92 N ATOM 1047 CA ASN A 73 -15.312 -10.290 -5.693 1.00 0.83 C ATOM 1048 C ASN A 73 -16.308 -9.208 -5.266 1.00 0.75 C ATOM 1049 O ASN A 73 -15.933 -8.206 -4.690 1.00 1.07 O ATOM 1050 CB ASN A 73 -14.476 -10.705 -4.480 1.00 0.91 C ATOM 1051 CG ASN A 73 -13.499 -11.811 -4.885 1.00 1.43 C ATOM 1052 OD1 ASN A 73 -13.507 -12.254 -6.112 1.00 2.29 O flip ATOM 1053 ND2 ASN A 73 -12.720 -12.275 -4.076 1.00 1.90 N flip ATOM 0 H ASN A 73 -13.662 -9.125 -6.433 1.00 0.92 H new ATOM 0 HA ASN A 73 -15.863 -11.144 -6.087 1.00 0.83 H new ATOM 0 HB2 ASN A 73 -13.928 -9.846 -4.092 1.00 0.91 H new ATOM 0 HB3 ASN A 73 -15.127 -11.056 -3.680 1.00 0.91 H new ATOM 0 HD21 ASN A 73 -12.714 -11.928 -3.117 1.00 1.90 H new ATOM 0 HD22 ASN A 73 -12.072 -13.011 -4.356 1.00 1.90 H new ATOM 1060 N MET A 74 -17.568 -9.389 -5.542 1.00 0.71 N ATOM 1061 CA MET A 74 -18.568 -8.355 -5.147 1.00 0.67 C ATOM 1062 C MET A 74 -18.752 -8.374 -3.626 1.00 0.67 C ATOM 1063 O MET A 74 -19.373 -7.503 -3.049 1.00 0.71 O ATOM 1064 CB MET A 74 -19.897 -8.643 -5.851 1.00 0.75 C ATOM 1065 CG MET A 74 -19.775 -8.312 -7.351 1.00 1.20 C ATOM 1066 SD MET A 74 -20.882 -9.389 -8.301 1.00 1.92 S ATOM 1067 CE MET A 74 -19.628 -10.532 -8.941 1.00 1.96 C ATOM 0 H MET A 74 -17.950 -10.204 -6.022 1.00 0.71 H new ATOM 0 HA MET A 74 -18.217 -7.367 -5.444 1.00 0.67 H new ATOM 0 HB2 MET A 74 -20.168 -9.691 -5.721 1.00 0.75 H new ATOM 0 HB3 MET A 74 -20.693 -8.049 -5.402 1.00 0.75 H new ATOM 0 HG2 MET A 74 -20.030 -7.267 -7.525 1.00 1.20 H new ATOM 0 HG3 MET A 74 -18.745 -8.449 -7.682 1.00 1.20 H new ATOM 0 HE1 MET A 74 -20.108 -11.288 -9.563 1.00 1.96 H new ATOM 0 HE2 MET A 74 -18.902 -9.979 -9.537 1.00 1.96 H new ATOM 0 HE3 MET A 74 -19.119 -11.017 -8.108 1.00 1.96 H new ATOM 1077 N GLU A 75 -18.184 -9.350 -2.977 1.00 0.70 N ATOM 1078 CA GLU A 75 -18.272 -9.443 -1.490 1.00 0.75 C ATOM 1079 C GLU A 75 -17.265 -8.472 -0.863 1.00 0.73 C ATOM 1080 O GLU A 75 -17.625 -7.639 -0.055 1.00 0.78 O ATOM 1081 CB GLU A 75 -17.940 -10.876 -1.055 1.00 0.87 C ATOM 1082 CG GLU A 75 -19.164 -11.773 -1.261 1.00 1.15 C ATOM 1083 CD GLU A 75 -19.628 -11.682 -2.716 1.00 1.70 C ATOM 1084 OE1 GLU A 75 -18.786 -11.784 -3.593 1.00 2.21 O ATOM 1085 OE2 GLU A 75 -20.817 -11.512 -2.928 1.00 2.29 O ATOM 0 H GLU A 75 -17.653 -10.100 -3.419 1.00 0.70 H new ATOM 0 HA GLU A 75 -19.279 -9.185 -1.162 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -17.097 -11.256 -1.632 1.00 0.87 H new ATOM 0 HB3 GLU A 75 -17.640 -10.888 -0.007 1.00 0.87 H new ATOM 0 HG2 GLU A 75 -18.917 -12.805 -1.011 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -19.969 -11.467 -0.592 1.00 1.15 H new ATOM 1092 N LEU A 76 -16.015 -8.565 -1.213 1.00 0.74 N ATOM 1093 CA LEU A 76 -15.017 -7.633 -0.613 1.00 0.80 C ATOM 1094 C LEU A 76 -15.379 -6.186 -0.968 1.00 0.75 C ATOM 1095 O LEU A 76 -15.052 -5.262 -0.249 1.00 0.81 O ATOM 1096 CB LEU A 76 -13.612 -7.974 -1.122 1.00 0.92 C ATOM 1097 CG LEU A 76 -12.548 -7.209 -0.312 1.00 1.00 C ATOM 1098 CD1 LEU A 76 -12.262 -7.927 1.015 1.00 1.57 C ATOM 1099 CD2 LEU A 76 -11.249 -7.132 -1.121 1.00 1.51 C ATOM 0 H LEU A 76 -15.641 -9.238 -1.882 1.00 0.74 H new ATOM 0 HA LEU A 76 -15.030 -7.741 0.472 1.00 0.80 H new ATOM 0 HB2 LEU A 76 -13.439 -9.047 -1.040 1.00 0.92 H new ATOM 0 HB3 LEU A 76 -13.528 -7.717 -2.178 1.00 0.92 H new ATOM 0 HG LEU A 76 -12.924 -6.207 -0.104 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -11.508 -7.372 1.574 1.00 1.57 H new ATOM 0 HD12 LEU A 76 -13.179 -7.986 1.602 1.00 1.57 H new ATOM 0 HD13 LEU A 76 -11.896 -8.934 0.813 1.00 1.57 H new ATOM 0 HD21 LEU A 76 -10.495 -6.591 -0.549 1.00 1.51 H new ATOM 0 HD22 LEU A 76 -10.891 -8.140 -1.331 1.00 1.51 H new ATOM 0 HD23 LEU A 76 -11.435 -6.610 -2.060 1.00 1.51 H new ATOM 1111 N GLN A 77 -16.073 -5.979 -2.054 1.00 0.76 N ATOM 1112 CA GLN A 77 -16.479 -4.592 -2.430 1.00 0.74 C ATOM 1113 C GLN A 77 -17.759 -4.230 -1.660 1.00 0.71 C ATOM 1114 O GLN A 77 -17.985 -3.084 -1.319 1.00 0.72 O ATOM 1115 CB GLN A 77 -16.732 -4.520 -3.953 1.00 0.71 C ATOM 1116 CG GLN A 77 -15.492 -3.979 -4.677 1.00 1.26 C ATOM 1117 CD GLN A 77 -14.288 -4.872 -4.375 1.00 1.59 C ATOM 1118 OE1 GLN A 77 -13.282 -4.407 -3.878 1.00 2.35 O ATOM 1119 NE2 GLN A 77 -14.348 -6.144 -4.660 1.00 2.03 N ATOM 0 H GLN A 77 -16.377 -6.709 -2.698 1.00 0.76 H new ATOM 0 HA GLN A 77 -15.688 -3.886 -2.176 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -16.980 -5.511 -4.334 1.00 0.71 H new ATOM 0 HB3 GLN A 77 -17.589 -3.877 -4.156 1.00 0.71 H new ATOM 0 HG2 GLN A 77 -15.672 -3.946 -5.752 1.00 1.26 H new ATOM 0 HG3 GLN A 77 -15.289 -2.957 -4.356 1.00 1.26 H new ATOM 0 HE21 GLN A 77 -15.193 -6.534 -5.077 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -13.550 -6.748 -4.465 1.00 2.03 H new ATOM 1128 N ARG A 78 -18.591 -5.191 -1.372 1.00 0.72 N ATOM 1129 CA ARG A 78 -19.838 -4.878 -0.619 1.00 0.73 C ATOM 1130 C ARG A 78 -19.492 -4.567 0.838 1.00 0.75 C ATOM 1131 O ARG A 78 -20.097 -3.716 1.460 1.00 0.79 O ATOM 1132 CB ARG A 78 -20.786 -6.077 -0.671 1.00 0.74 C ATOM 1133 CG ARG A 78 -22.056 -5.753 0.121 1.00 0.94 C ATOM 1134 CD ARG A 78 -23.144 -6.772 -0.218 1.00 1.23 C ATOM 1135 NE ARG A 78 -24.292 -6.601 0.716 1.00 1.80 N ATOM 1136 CZ ARG A 78 -25.445 -7.149 0.442 1.00 2.50 C ATOM 1137 NH1 ARG A 78 -25.592 -7.847 -0.651 1.00 2.83 N ATOM 1138 NH2 ARG A 78 -26.450 -6.999 1.260 1.00 3.41 N ATOM 0 H ARG A 78 -18.464 -6.172 -1.623 1.00 0.72 H new ATOM 0 HA ARG A 78 -20.323 -4.013 -1.071 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -21.038 -6.311 -1.705 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -20.299 -6.959 -0.254 1.00 0.74 H new ATOM 0 HG2 ARG A 78 -21.845 -5.773 1.190 1.00 0.94 H new ATOM 0 HG3 ARG A 78 -22.399 -4.746 -0.118 1.00 0.94 H new ATOM 0 HD2 ARG A 78 -23.476 -6.637 -1.248 1.00 1.23 H new ATOM 0 HD3 ARG A 78 -22.746 -7.784 -0.141 1.00 1.23 H new ATOM 0 HE ARG A 78 -24.177 -6.055 1.570 1.00 1.80 H new ATOM 0 HH11 ARG A 78 -24.806 -7.964 -1.291 1.00 2.83 H new ATOM 0 HH12 ARG A 78 -26.493 -8.275 -0.865 1.00 2.83 H new ATOM 0 HH21 ARG A 78 -26.335 -6.453 2.114 1.00 3.41 H new ATOM 0 HH22 ARG A 78 -27.351 -7.427 1.045 1.00 3.41 H new ATOM 1152 N MET A 79 -18.522 -5.247 1.392 1.00 0.75 N ATOM 1153 CA MET A 79 -18.146 -4.979 2.809 1.00 0.77 C ATOM 1154 C MET A 79 -17.561 -3.570 2.913 1.00 0.77 C ATOM 1155 O MET A 79 -17.922 -2.801 3.782 1.00 0.78 O ATOM 1156 CB MET A 79 -17.109 -6.009 3.272 1.00 0.81 C ATOM 1157 CG MET A 79 -17.803 -7.344 3.552 1.00 1.08 C ATOM 1158 SD MET A 79 -16.596 -8.533 4.191 1.00 1.07 S ATOM 1159 CE MET A 79 -16.804 -8.155 5.949 1.00 0.81 C ATOM 0 H MET A 79 -17.977 -5.973 0.926 1.00 0.75 H new ATOM 0 HA MET A 79 -19.028 -5.055 3.444 1.00 0.77 H new ATOM 0 HB2 MET A 79 -16.343 -6.139 2.507 1.00 0.81 H new ATOM 0 HB3 MET A 79 -16.605 -5.654 4.171 1.00 0.81 H new ATOM 0 HG2 MET A 79 -18.607 -7.203 4.274 1.00 1.08 H new ATOM 0 HG3 MET A 79 -18.258 -7.727 2.639 1.00 1.08 H new ATOM 0 HE1 MET A 79 -16.140 -8.787 6.538 1.00 0.81 H new ATOM 0 HE2 MET A 79 -16.561 -7.108 6.127 1.00 0.81 H new ATOM 0 HE3 MET A 79 -17.837 -8.342 6.242 1.00 0.81 H new ATOM 1169 N ILE A 80 -16.665 -3.218 2.029 1.00 0.77 N ATOM 1170 CA ILE A 80 -16.074 -1.852 2.082 1.00 0.80 C ATOM 1171 C ILE A 80 -17.204 -0.821 2.058 1.00 0.80 C ATOM 1172 O ILE A 80 -17.093 0.249 2.623 1.00 0.83 O ATOM 1173 CB ILE A 80 -15.147 -1.643 0.882 1.00 0.82 C ATOM 1174 CG1 ILE A 80 -13.942 -2.579 1.009 1.00 0.84 C ATOM 1175 CG2 ILE A 80 -14.659 -0.192 0.856 1.00 0.89 C ATOM 1176 CD1 ILE A 80 -13.156 -2.583 -0.304 1.00 1.10 C ATOM 0 H ILE A 80 -16.319 -3.815 1.277 1.00 0.77 H new ATOM 0 HA ILE A 80 -15.493 -1.735 2.997 1.00 0.80 H new ATOM 0 HB ILE A 80 -15.689 -1.859 -0.039 1.00 0.82 H new ATOM 0 HG12 ILE A 80 -13.300 -2.254 1.828 1.00 0.84 H new ATOM 0 HG13 ILE A 80 -14.276 -3.589 1.248 1.00 0.84 H new ATOM 0 HG21 ILE A 80 -13.999 -0.045 0.001 1.00 0.89 H new ATOM 0 HG22 ILE A 80 -15.515 0.478 0.773 1.00 0.89 H new ATOM 0 HG23 ILE A 80 -14.115 0.026 1.775 1.00 0.89 H new ATOM 0 HD11 ILE A 80 -12.298 -3.250 -0.213 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -13.800 -2.929 -1.113 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -12.809 -1.573 -0.523 1.00 1.10 H new ATOM 1188 N ALA A 81 -18.301 -1.141 1.421 1.00 0.78 N ATOM 1189 CA ALA A 81 -19.441 -0.181 1.382 1.00 0.80 C ATOM 1190 C ALA A 81 -20.091 -0.135 2.770 1.00 0.81 C ATOM 1191 O ALA A 81 -20.795 0.795 3.109 1.00 0.85 O ATOM 1192 CB ALA A 81 -20.467 -0.638 0.342 1.00 0.79 C ATOM 0 H ALA A 81 -18.455 -2.021 0.929 1.00 0.78 H new ATOM 0 HA ALA A 81 -19.083 0.811 1.108 1.00 0.80 H new ATOM 0 HB1 ALA A 81 -21.298 0.067 0.317 1.00 0.79 H new ATOM 0 HB2 ALA A 81 -19.996 -0.679 -0.640 1.00 0.79 H new ATOM 0 HB3 ALA A 81 -20.838 -1.628 0.608 1.00 0.79 H new ATOM 1198 N ALA A 82 -19.837 -1.128 3.577 1.00 0.78 N ATOM 1199 CA ALA A 82 -20.409 -1.159 4.955 1.00 0.80 C ATOM 1200 C ALA A 82 -19.580 -0.256 5.873 1.00 0.79 C ATOM 1201 O ALA A 82 -19.964 0.025 6.991 1.00 0.83 O ATOM 1202 CB ALA A 82 -20.367 -2.592 5.487 1.00 0.87 C ATOM 0 H ALA A 82 -19.251 -1.928 3.339 1.00 0.78 H new ATOM 0 HA ALA A 82 -21.440 -0.805 4.929 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -20.784 -2.619 6.494 1.00 0.87 H new ATOM 0 HB2 ALA A 82 -20.952 -3.240 4.834 1.00 0.87 H new ATOM 0 HB3 ALA A 82 -19.335 -2.940 5.513 1.00 0.87 H new ATOM 1208 N VAL A 83 -18.455 0.216 5.408 1.00 0.80 N ATOM 1209 CA VAL A 83 -17.613 1.118 6.251 1.00 0.85 C ATOM 1210 C VAL A 83 -18.046 2.564 6.009 1.00 0.99 C ATOM 1211 O VAL A 83 -17.546 3.246 5.137 1.00 1.36 O ATOM 1212 CB VAL A 83 -16.137 0.951 5.880 1.00 0.97 C ATOM 1213 CG1 VAL A 83 -15.268 1.750 6.853 1.00 1.81 C ATOM 1214 CG2 VAL A 83 -15.751 -0.528 5.952 1.00 1.40 C ATOM 0 H VAL A 83 -18.081 0.017 4.480 1.00 0.80 H new ATOM 0 HA VAL A 83 -17.741 0.864 7.303 1.00 0.85 H new ATOM 0 HB VAL A 83 -15.979 1.318 4.866 1.00 0.97 H new ATOM 0 HG11 VAL A 83 -14.218 1.629 6.586 1.00 1.81 H new ATOM 0 HG12 VAL A 83 -15.537 2.805 6.799 1.00 1.81 H new ATOM 0 HG13 VAL A 83 -15.429 1.386 7.868 1.00 1.81 H new ATOM 0 HG21 VAL A 83 -14.700 -0.643 5.687 1.00 1.40 H new ATOM 0 HG22 VAL A 83 -15.913 -0.897 6.965 1.00 1.40 H new ATOM 0 HG23 VAL A 83 -16.365 -1.099 5.255 1.00 1.40 H new ATOM 1273 N PRO A 88 -11.929 9.066 9.081 1.00 0.77 N ATOM 1274 CA PRO A 88 -10.968 8.236 8.331 1.00 0.83 C ATOM 1275 C PRO A 88 -9.581 8.285 8.986 1.00 0.73 C ATOM 1276 O PRO A 88 -8.724 7.476 8.692 1.00 0.72 O ATOM 1277 CB PRO A 88 -10.945 8.838 6.903 1.00 1.01 C ATOM 1278 CG PRO A 88 -11.930 10.041 6.886 1.00 1.07 C ATOM 1279 CD PRO A 88 -12.501 10.197 8.313 1.00 0.83 C ATOM 0 HA PRO A 88 -11.254 7.184 8.316 1.00 0.83 H new ATOM 0 HB2 PRO A 88 -9.938 9.163 6.640 1.00 1.01 H new ATOM 0 HB3 PRO A 88 -11.241 8.090 6.167 1.00 1.01 H new ATOM 0 HG2 PRO A 88 -11.417 10.952 6.577 1.00 1.07 H new ATOM 0 HG3 PRO A 88 -12.733 9.869 6.169 1.00 1.07 H new ATOM 0 HD2 PRO A 88 -12.216 11.154 8.749 1.00 0.83 H new ATOM 0 HD3 PRO A 88 -13.590 10.160 8.308 1.00 0.83 H new ATOM 1287 N ARG A 89 -9.345 9.225 9.865 1.00 0.75 N ATOM 1288 CA ARG A 89 -8.002 9.299 10.511 1.00 0.73 C ATOM 1289 C ARG A 89 -7.925 8.244 11.620 1.00 0.67 C ATOM 1290 O ARG A 89 -6.979 7.487 11.703 1.00 0.68 O ATOM 1291 CB ARG A 89 -7.782 10.702 11.086 1.00 0.79 C ATOM 1292 CG ARG A 89 -6.343 10.847 11.586 1.00 1.63 C ATOM 1293 CD ARG A 89 -6.166 12.229 12.220 1.00 1.65 C ATOM 1294 NE ARG A 89 -7.009 12.324 13.446 1.00 2.07 N ATOM 1295 CZ ARG A 89 -6.815 13.292 14.301 1.00 2.47 C ATOM 1296 NH1 ARG A 89 -5.891 14.186 14.076 1.00 2.69 N ATOM 1297 NH2 ARG A 89 -7.548 13.369 15.378 1.00 3.10 N ATOM 0 H ARG A 89 -10.015 9.935 10.160 1.00 0.75 H new ATOM 0 HA ARG A 89 -7.222 9.103 9.775 1.00 0.73 H new ATOM 0 HB2 ARG A 89 -7.987 11.452 10.322 1.00 0.79 H new ATOM 0 HB3 ARG A 89 -8.479 10.881 11.904 1.00 0.79 H new ATOM 0 HG2 ARG A 89 -6.119 10.068 12.315 1.00 1.63 H new ATOM 0 HG3 ARG A 89 -5.644 10.721 10.759 1.00 1.63 H new ATOM 0 HD2 ARG A 89 -5.118 12.394 12.472 1.00 1.65 H new ATOM 0 HD3 ARG A 89 -6.449 13.006 11.510 1.00 1.65 H new ATOM 0 HE ARG A 89 -7.738 11.632 13.617 1.00 2.07 H new ATOM 0 HH11 ARG A 89 -5.320 14.129 13.232 1.00 2.69 H new ATOM 0 HH12 ARG A 89 -5.739 14.942 14.744 1.00 2.69 H new ATOM 0 HH21 ARG A 89 -8.273 12.673 15.552 1.00 3.10 H new ATOM 0 HH22 ARG A 89 -7.396 14.125 16.045 1.00 3.10 H new ATOM 1311 N GLU A 90 -8.919 8.180 12.467 1.00 0.65 N ATOM 1312 CA GLU A 90 -8.902 7.163 13.560 1.00 0.65 C ATOM 1313 C GLU A 90 -9.022 5.763 12.949 1.00 0.64 C ATOM 1314 O GLU A 90 -8.283 4.865 13.300 1.00 0.67 O ATOM 1315 CB GLU A 90 -10.082 7.411 14.501 1.00 0.71 C ATOM 1316 CG GLU A 90 -9.948 8.801 15.127 1.00 1.32 C ATOM 1317 CD GLU A 90 -8.764 8.813 16.095 1.00 2.02 C ATOM 1318 OE1 GLU A 90 -8.831 8.110 17.090 1.00 2.78 O ATOM 1319 OE2 GLU A 90 -7.810 9.524 15.824 1.00 2.46 O ATOM 0 H GLU A 90 -9.739 8.786 12.450 1.00 0.65 H new ATOM 0 HA GLU A 90 -7.969 7.239 14.119 1.00 0.65 H new ATOM 0 HB2 GLU A 90 -11.021 7.336 13.953 1.00 0.71 H new ATOM 0 HB3 GLU A 90 -10.106 6.650 15.281 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -9.802 9.550 14.348 1.00 1.32 H new ATOM 0 HG3 GLU A 90 -10.865 9.064 15.654 1.00 1.32 H new ATOM 1326 N VAL A 91 -9.945 5.558 12.048 1.00 0.64 N ATOM 1327 CA VAL A 91 -10.097 4.204 11.440 1.00 0.67 C ATOM 1328 C VAL A 91 -8.806 3.821 10.715 1.00 0.66 C ATOM 1329 O VAL A 91 -8.327 2.711 10.829 1.00 0.67 O ATOM 1330 CB VAL A 91 -11.268 4.217 10.453 1.00 0.71 C ATOM 1331 CG1 VAL A 91 -11.494 2.810 9.896 1.00 0.80 C ATOM 1332 CG2 VAL A 91 -12.535 4.689 11.171 1.00 0.75 C ATOM 0 H VAL A 91 -10.597 6.265 11.708 1.00 0.64 H new ATOM 0 HA VAL A 91 -10.297 3.472 12.222 1.00 0.67 H new ATOM 0 HB VAL A 91 -11.037 4.896 9.632 1.00 0.71 H new ATOM 0 HG11 VAL A 91 -12.328 2.826 9.195 1.00 0.80 H new ATOM 0 HG12 VAL A 91 -10.594 2.473 9.382 1.00 0.80 H new ATOM 0 HG13 VAL A 91 -11.721 2.127 10.714 1.00 0.80 H new ATOM 0 HG21 VAL A 91 -13.369 4.699 10.469 1.00 0.75 H new ATOM 0 HG22 VAL A 91 -12.761 4.011 11.994 1.00 0.75 H new ATOM 0 HG23 VAL A 91 -12.378 5.694 11.562 1.00 0.75 H new ATOM 1342 N PHE A 92 -8.235 4.727 9.977 1.00 0.64 N ATOM 1343 CA PHE A 92 -6.971 4.409 9.256 1.00 0.65 C ATOM 1344 C PHE A 92 -5.954 3.799 10.229 1.00 0.62 C ATOM 1345 O PHE A 92 -5.354 2.781 9.943 1.00 0.67 O ATOM 1346 CB PHE A 92 -6.396 5.693 8.647 1.00 0.65 C ATOM 1347 CG PHE A 92 -5.015 5.423 8.096 1.00 0.65 C ATOM 1348 CD1 PHE A 92 -4.858 4.996 6.772 1.00 1.44 C ATOM 1349 CD2 PHE A 92 -3.892 5.598 8.913 1.00 1.31 C ATOM 1350 CE1 PHE A 92 -3.577 4.744 6.265 1.00 1.47 C ATOM 1351 CE2 PHE A 92 -2.611 5.346 8.407 1.00 1.31 C ATOM 1352 CZ PHE A 92 -2.454 4.920 7.083 1.00 0.73 C ATOM 0 H PHE A 92 -8.587 5.675 9.840 1.00 0.64 H new ATOM 0 HA PHE A 92 -7.179 3.691 8.463 1.00 0.65 H new ATOM 0 HB2 PHE A 92 -7.050 6.055 7.854 1.00 0.65 H new ATOM 0 HB3 PHE A 92 -6.349 6.476 9.404 1.00 0.65 H new ATOM 0 HD1 PHE A 92 -5.725 4.861 6.142 1.00 1.44 H new ATOM 0 HD2 PHE A 92 -4.014 5.928 9.934 1.00 1.31 H new ATOM 0 HE1 PHE A 92 -3.455 4.414 5.244 1.00 1.47 H new ATOM 0 HE2 PHE A 92 -1.745 5.480 9.038 1.00 1.31 H new ATOM 0 HZ PHE A 92 -1.466 4.727 6.692 1.00 0.73 H new ATOM 1362 N PHE A 93 -5.736 4.406 11.365 1.00 0.58 N ATOM 1363 CA PHE A 93 -4.736 3.839 12.319 1.00 0.57 C ATOM 1364 C PHE A 93 -5.350 2.647 13.058 1.00 0.59 C ATOM 1365 O PHE A 93 -4.666 1.702 13.399 1.00 0.60 O ATOM 1366 CB PHE A 93 -4.310 4.913 13.321 1.00 0.57 C ATOM 1367 CG PHE A 93 -3.231 4.368 14.229 1.00 0.56 C ATOM 1368 CD1 PHE A 93 -1.904 4.316 13.785 1.00 1.15 C ATOM 1369 CD2 PHE A 93 -3.557 3.920 15.515 1.00 1.47 C ATOM 1370 CE1 PHE A 93 -0.904 3.816 14.626 1.00 1.07 C ATOM 1371 CE2 PHE A 93 -2.555 3.421 16.357 1.00 1.58 C ATOM 1372 CZ PHE A 93 -1.229 3.369 15.913 1.00 0.70 C ATOM 0 H PHE A 93 -6.201 5.260 11.672 1.00 0.58 H new ATOM 0 HA PHE A 93 -3.859 3.503 11.766 1.00 0.57 H new ATOM 0 HB2 PHE A 93 -3.943 5.792 12.791 1.00 0.57 H new ATOM 0 HB3 PHE A 93 -5.168 5.233 13.912 1.00 0.57 H new ATOM 0 HD1 PHE A 93 -1.652 4.662 12.793 1.00 1.15 H new ATOM 0 HD2 PHE A 93 -4.581 3.959 15.857 1.00 1.47 H new ATOM 0 HE1 PHE A 93 0.119 3.775 14.283 1.00 1.07 H new ATOM 0 HE2 PHE A 93 -2.806 3.076 17.349 1.00 1.58 H new ATOM 0 HZ PHE A 93 -0.457 2.984 16.562 1.00 0.70 H new ATOM 1382 N ARG A 94 -6.632 2.673 13.301 1.00 0.62 N ATOM 1383 CA ARG A 94 -7.269 1.526 14.007 1.00 0.67 C ATOM 1384 C ARG A 94 -7.247 0.307 13.086 1.00 0.66 C ATOM 1385 O ARG A 94 -6.767 -0.746 13.460 1.00 0.67 O ATOM 1386 CB ARG A 94 -8.714 1.884 14.391 1.00 0.72 C ATOM 1387 CG ARG A 94 -9.193 1.020 15.572 1.00 0.89 C ATOM 1388 CD ARG A 94 -9.410 -0.436 15.131 1.00 1.00 C ATOM 1389 NE ARG A 94 -10.338 -1.099 16.090 1.00 1.95 N ATOM 1390 CZ ARG A 94 -10.907 -2.230 15.775 1.00 2.64 C ATOM 1391 NH1 ARG A 94 -10.663 -2.785 14.620 1.00 2.76 N ATOM 1392 NH2 ARG A 94 -11.722 -2.805 16.617 1.00 3.65 N ATOM 0 H ARG A 94 -7.262 3.433 13.043 1.00 0.62 H new ATOM 0 HA ARG A 94 -6.719 1.300 14.920 1.00 0.67 H new ATOM 0 HB2 ARG A 94 -8.774 2.939 14.658 1.00 0.72 H new ATOM 0 HB3 ARG A 94 -9.371 1.734 13.534 1.00 0.72 H new ATOM 0 HG2 ARG A 94 -8.458 1.055 16.376 1.00 0.89 H new ATOM 0 HG3 ARG A 94 -10.122 1.426 15.972 1.00 0.89 H new ATOM 0 HD2 ARG A 94 -9.825 -0.467 14.123 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -8.458 -0.966 15.100 1.00 1.00 H new ATOM 0 HE ARG A 94 -10.529 -0.668 16.994 1.00 1.95 H new ATOM 0 HH11 ARG A 94 -10.027 -2.335 13.962 1.00 2.76 H new ATOM 0 HH12 ARG A 94 -11.108 -3.669 14.375 1.00 2.76 H new ATOM 0 HH21 ARG A 94 -11.913 -2.370 17.520 1.00 3.65 H new ATOM 0 HH22 ARG A 94 -12.168 -3.689 16.372 1.00 3.65 H new ATOM 1406 N VAL A 95 -7.747 0.419 11.886 1.00 0.65 N ATOM 1407 CA VAL A 95 -7.730 -0.750 10.966 1.00 0.66 C ATOM 1408 C VAL A 95 -6.282 -1.116 10.627 1.00 0.66 C ATOM 1409 O VAL A 95 -5.914 -2.273 10.601 1.00 0.67 O ATOM 1410 CB VAL A 95 -8.478 -0.363 9.680 1.00 0.64 C ATOM 1411 CG1 VAL A 95 -8.205 -1.386 8.570 1.00 1.27 C ATOM 1412 CG2 VAL A 95 -9.980 -0.308 9.966 1.00 1.08 C ATOM 0 H VAL A 95 -8.165 1.268 11.505 1.00 0.65 H new ATOM 0 HA VAL A 95 -8.210 -1.607 11.438 1.00 0.66 H new ATOM 0 HB VAL A 95 -8.127 0.614 9.348 1.00 0.64 H new ATOM 0 HG11 VAL A 95 -8.743 -1.096 7.667 1.00 1.27 H new ATOM 0 HG12 VAL A 95 -7.136 -1.419 8.361 1.00 1.27 H new ATOM 0 HG13 VAL A 95 -8.542 -2.371 8.892 1.00 1.27 H new ATOM 0 HG21 VAL A 95 -10.514 -0.034 9.056 1.00 1.08 H new ATOM 0 HG22 VAL A 95 -10.322 -1.285 10.307 1.00 1.08 H new ATOM 0 HG23 VAL A 95 -10.176 0.435 10.739 1.00 1.08 H new ATOM 1422 N ALA A 96 -5.469 -0.140 10.330 1.00 0.65 N ATOM 1423 CA ALA A 96 -4.061 -0.439 9.954 1.00 0.68 C ATOM 1424 C ALA A 96 -3.364 -1.192 11.088 1.00 0.70 C ATOM 1425 O ALA A 96 -2.656 -2.158 10.886 1.00 0.76 O ATOM 1426 CB ALA A 96 -3.327 0.877 9.688 1.00 0.69 C ATOM 0 H ALA A 96 -5.719 0.849 10.332 1.00 0.65 H new ATOM 0 HA ALA A 96 -4.049 -1.060 9.058 1.00 0.68 H new ATOM 0 HB1 ALA A 96 -2.294 0.668 9.412 1.00 0.69 H new ATOM 0 HB2 ALA A 96 -3.819 1.410 8.875 1.00 0.69 H new ATOM 0 HB3 ALA A 96 -3.344 1.492 10.588 1.00 0.69 H new ATOM 1432 N ALA A 97 -3.567 -0.715 12.290 1.00 0.74 N ATOM 1433 CA ALA A 97 -2.935 -1.332 13.493 1.00 0.78 C ATOM 1434 C ALA A 97 -3.481 -2.742 13.728 1.00 0.79 C ATOM 1435 O ALA A 97 -2.758 -3.632 14.131 1.00 0.83 O ATOM 1436 CB ALA A 97 -3.247 -0.466 14.715 1.00 0.77 C ATOM 0 H ALA A 97 -4.157 0.093 12.491 1.00 0.74 H new ATOM 0 HA ALA A 97 -1.859 -1.395 13.333 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -2.790 -0.908 15.600 1.00 0.77 H new ATOM 0 HB2 ALA A 97 -2.847 0.537 14.562 1.00 0.77 H new ATOM 0 HB3 ALA A 97 -4.327 -0.409 14.854 1.00 0.77 H new ATOM 1442 N ASP A 98 -4.746 -2.959 13.499 1.00 0.78 N ATOM 1443 CA ASP A 98 -5.311 -4.317 13.735 1.00 0.82 C ATOM 1444 C ASP A 98 -4.751 -5.284 12.693 1.00 0.83 C ATOM 1445 O ASP A 98 -4.250 -6.345 13.008 1.00 0.88 O ATOM 1446 CB ASP A 98 -6.834 -4.264 13.614 1.00 0.82 C ATOM 1447 CG ASP A 98 -7.412 -3.505 14.809 1.00 1.47 C ATOM 1448 OD1 ASP A 98 -6.739 -2.614 15.301 1.00 2.19 O ATOM 1449 OD2 ASP A 98 -8.517 -3.826 15.212 1.00 2.13 O ATOM 0 H ASP A 98 -5.409 -2.261 13.161 1.00 0.78 H new ATOM 0 HA ASP A 98 -5.039 -4.657 14.734 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -7.119 -3.772 12.684 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -7.242 -5.274 13.578 1.00 0.82 H new ATOM 1454 N MET A 99 -4.830 -4.901 11.448 1.00 0.81 N ATOM 1455 CA MET A 99 -4.301 -5.766 10.360 1.00 0.85 C ATOM 1456 C MET A 99 -2.842 -6.073 10.677 1.00 0.97 C ATOM 1457 O MET A 99 -2.256 -7.003 10.157 1.00 1.14 O ATOM 1458 CB MET A 99 -4.413 -5.017 9.022 1.00 0.79 C ATOM 1459 CG MET A 99 -3.866 -5.882 7.862 1.00 0.81 C ATOM 1460 SD MET A 99 -4.980 -5.770 6.434 1.00 0.97 S ATOM 1461 CE MET A 99 -4.337 -4.227 5.737 1.00 0.48 C ATOM 0 H MET A 99 -5.241 -4.021 11.138 1.00 0.81 H new ATOM 0 HA MET A 99 -4.867 -6.695 10.286 1.00 0.85 H new ATOM 0 HB2 MET A 99 -5.455 -4.760 8.830 1.00 0.79 H new ATOM 0 HB3 MET A 99 -3.858 -4.080 9.077 1.00 0.79 H new ATOM 0 HG2 MET A 99 -2.868 -5.544 7.584 1.00 0.81 H new ATOM 0 HG3 MET A 99 -3.773 -6.920 8.182 1.00 0.81 H new ATOM 0 HE1 MET A 99 -4.895 -3.974 4.836 1.00 0.48 H new ATOM 0 HE2 MET A 99 -4.445 -3.425 6.467 1.00 0.48 H new ATOM 0 HE3 MET A 99 -3.283 -4.352 5.488 1.00 0.48 H new ATOM 1600 N ARG A 109 1.841 -8.244 3.282 1.00 0.86 N ATOM 1601 CA ARG A 109 0.652 -7.547 3.817 1.00 0.87 C ATOM 1602 C ARG A 109 0.738 -6.096 3.360 1.00 0.70 C ATOM 1603 O ARG A 109 -0.220 -5.349 3.401 1.00 0.81 O ATOM 1604 CB ARG A 109 0.635 -7.622 5.345 1.00 1.08 C ATOM 1605 CG ARG A 109 0.333 -9.055 5.784 1.00 1.48 C ATOM 1606 CD ARG A 109 0.413 -9.147 7.308 1.00 1.96 C ATOM 1607 NE ARG A 109 -0.125 -10.463 7.754 1.00 2.74 N ATOM 1608 CZ ARG A 109 0.105 -10.885 8.967 1.00 3.19 C ATOM 1609 NH1 ARG A 109 0.806 -10.155 9.791 1.00 3.19 N ATOM 1610 NH2 ARG A 109 -0.366 -12.038 9.356 1.00 4.08 N ATOM 0 HA ARG A 109 -0.264 -8.013 3.454 1.00 0.87 H new ATOM 0 HB2 ARG A 109 1.597 -7.303 5.746 1.00 1.08 H new ATOM 0 HB3 ARG A 109 -0.118 -6.942 5.744 1.00 1.08 H new ATOM 0 HG2 ARG A 109 -0.659 -9.350 5.442 1.00 1.48 H new ATOM 0 HG3 ARG A 109 1.045 -9.744 5.329 1.00 1.48 H new ATOM 0 HD2 ARG A 109 1.446 -9.034 7.636 1.00 1.96 H new ATOM 0 HD3 ARG A 109 -0.156 -8.336 7.763 1.00 1.96 H new ATOM 0 HE ARG A 109 -0.673 -11.034 7.111 1.00 2.74 H new ATOM 0 HH11 ARG A 109 1.174 -9.254 9.487 1.00 3.19 H new ATOM 0 HH12 ARG A 109 0.985 -10.486 10.739 1.00 3.19 H new ATOM 0 HH21 ARG A 109 -0.914 -12.609 8.712 1.00 4.08 H new ATOM 0 HH22 ARG A 109 -0.187 -12.369 10.304 1.00 4.08 H new ATOM 1624 N VAL A 110 1.912 -5.698 2.929 1.00 0.60 N ATOM 1625 CA VAL A 110 2.108 -4.300 2.470 1.00 0.68 C ATOM 1626 C VAL A 110 1.293 -4.079 1.196 1.00 0.56 C ATOM 1627 O VAL A 110 0.739 -3.017 0.995 1.00 0.60 O ATOM 1628 CB VAL A 110 3.619 -4.016 2.242 1.00 0.88 C ATOM 1629 CG1 VAL A 110 3.996 -4.154 0.757 1.00 1.27 C ATOM 1630 CG2 VAL A 110 3.963 -2.593 2.701 1.00 1.73 C ATOM 0 H VAL A 110 2.742 -6.289 2.878 1.00 0.60 H new ATOM 0 HA VAL A 110 1.760 -3.602 3.232 1.00 0.68 H new ATOM 0 HB VAL A 110 4.181 -4.748 2.822 1.00 0.88 H new ATOM 0 HG11 VAL A 110 5.059 -3.949 0.631 1.00 1.27 H new ATOM 0 HG12 VAL A 110 3.779 -5.167 0.419 1.00 1.27 H new ATOM 0 HG13 VAL A 110 3.417 -3.443 0.167 1.00 1.27 H new ATOM 0 HG21 VAL A 110 5.024 -2.404 2.537 1.00 1.73 H new ATOM 0 HG22 VAL A 110 3.374 -1.874 2.131 1.00 1.73 H new ATOM 0 HG23 VAL A 110 3.736 -2.488 3.762 1.00 1.73 H new ATOM 1640 N VAL A 111 1.195 -5.051 0.334 1.00 0.51 N ATOM 1641 CA VAL A 111 0.392 -4.823 -0.887 1.00 0.50 C ATOM 1642 C VAL A 111 -1.044 -4.567 -0.437 1.00 0.46 C ATOM 1643 O VAL A 111 -1.722 -3.688 -0.931 1.00 0.47 O ATOM 1644 CB VAL A 111 0.469 -6.051 -1.795 1.00 0.58 C ATOM 1645 CG1 VAL A 111 -0.250 -5.769 -3.114 1.00 1.41 C ATOM 1646 CG2 VAL A 111 1.938 -6.381 -2.072 1.00 1.36 C ATOM 0 H VAL A 111 1.627 -5.971 0.422 1.00 0.51 H new ATOM 0 HA VAL A 111 0.767 -3.971 -1.455 1.00 0.50 H new ATOM 0 HB VAL A 111 -0.011 -6.896 -1.302 1.00 0.58 H new ATOM 0 HG11 VAL A 111 -0.191 -6.648 -3.756 1.00 1.41 H new ATOM 0 HG12 VAL A 111 -1.296 -5.534 -2.915 1.00 1.41 H new ATOM 0 HG13 VAL A 111 0.223 -4.923 -3.613 1.00 1.41 H new ATOM 0 HG21 VAL A 111 1.999 -7.256 -2.719 1.00 1.36 H new ATOM 0 HG22 VAL A 111 2.415 -5.533 -2.563 1.00 1.36 H new ATOM 0 HG23 VAL A 111 2.448 -6.589 -1.131 1.00 1.36 H new ATOM 1656 N ALA A 112 -1.500 -5.328 0.527 1.00 0.45 N ATOM 1657 CA ALA A 112 -2.889 -5.126 1.050 1.00 0.47 C ATOM 1658 C ALA A 112 -3.010 -3.723 1.668 1.00 0.46 C ATOM 1659 O ALA A 112 -4.089 -3.172 1.759 1.00 0.54 O ATOM 1660 CB ALA A 112 -3.210 -6.192 2.100 1.00 0.53 C ATOM 0 H ALA A 112 -0.973 -6.078 0.974 1.00 0.45 H new ATOM 0 HA ALA A 112 -3.600 -5.216 0.228 1.00 0.47 H new ATOM 0 HB1 ALA A 112 -4.222 -6.039 2.476 1.00 0.53 H new ATOM 0 HB2 ALA A 112 -3.136 -7.181 1.648 1.00 0.53 H new ATOM 0 HB3 ALA A 112 -2.501 -6.116 2.924 1.00 0.53 H new ATOM 1666 N LEU A 113 -1.918 -3.125 2.049 1.00 0.43 N ATOM 1667 CA LEU A 113 -1.972 -1.739 2.610 1.00 0.43 C ATOM 1668 C LEU A 113 -2.239 -0.757 1.459 1.00 0.42 C ATOM 1669 O LEU A 113 -3.198 -0.011 1.470 1.00 0.45 O ATOM 1670 CB LEU A 113 -0.610 -1.414 3.267 1.00 0.44 C ATOM 1671 CG LEU A 113 -0.813 -0.514 4.501 1.00 0.51 C ATOM 1672 CD1 LEU A 113 0.535 -0.237 5.167 1.00 1.45 C ATOM 1673 CD2 LEU A 113 -1.453 0.812 4.079 1.00 1.27 C ATOM 0 H LEU A 113 -0.985 -3.534 1.998 1.00 0.43 H new ATOM 0 HA LEU A 113 -2.763 -1.657 3.355 1.00 0.43 H new ATOM 0 HB2 LEU A 113 -0.110 -2.337 3.560 1.00 0.44 H new ATOM 0 HB3 LEU A 113 0.039 -0.915 2.547 1.00 0.44 H new ATOM 0 HG LEU A 113 -1.469 -1.024 5.207 1.00 0.51 H new ATOM 0 HD11 LEU A 113 0.386 0.400 6.039 1.00 1.45 H new ATOM 0 HD12 LEU A 113 0.987 -1.179 5.478 1.00 1.45 H new ATOM 0 HD13 LEU A 113 1.194 0.266 4.459 1.00 1.45 H new ATOM 0 HD21 LEU A 113 -1.594 1.444 4.956 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -0.802 1.320 3.367 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -2.419 0.618 3.613 1.00 1.27 H new ATOM 1685 N PHE A 114 -1.407 -0.782 0.454 1.00 0.40 N ATOM 1686 CA PHE A 114 -1.597 0.110 -0.727 1.00 0.40 C ATOM 1687 C PHE A 114 -3.028 0.005 -1.258 1.00 0.39 C ATOM 1688 O PHE A 114 -3.650 0.992 -1.596 1.00 0.41 O ATOM 1689 CB PHE A 114 -0.622 -0.315 -1.831 1.00 0.41 C ATOM 1690 CG PHE A 114 0.805 -0.431 -1.303 1.00 0.44 C ATOM 1691 CD1 PHE A 114 1.242 0.284 -0.164 1.00 1.29 C ATOM 1692 CD2 PHE A 114 1.707 -1.265 -1.977 1.00 1.27 C ATOM 1693 CE1 PHE A 114 2.564 0.155 0.279 1.00 1.38 C ATOM 1694 CE2 PHE A 114 3.028 -1.388 -1.528 1.00 1.27 C ATOM 1695 CZ PHE A 114 3.454 -0.679 -0.401 1.00 0.68 C ATOM 0 H PHE A 114 -0.591 -1.392 0.400 1.00 0.40 H new ATOM 0 HA PHE A 114 -1.409 1.141 -0.426 1.00 0.40 H new ATOM 0 HB2 PHE A 114 -0.936 -1.272 -2.247 1.00 0.41 H new ATOM 0 HB3 PHE A 114 -0.652 0.411 -2.644 1.00 0.41 H new ATOM 0 HD1 PHE A 114 0.556 0.930 0.364 1.00 1.29 H new ATOM 0 HD2 PHE A 114 1.382 -1.816 -2.847 1.00 1.27 H new ATOM 0 HE1 PHE A 114 2.896 0.702 1.149 1.00 1.38 H new ATOM 0 HE2 PHE A 114 3.718 -2.031 -2.053 1.00 1.27 H new ATOM 0 HZ PHE A 114 4.473 -0.776 -0.056 1.00 0.68 H new ATOM 1705 N TYR A 115 -3.553 -1.188 -1.344 1.00 0.40 N ATOM 1706 CA TYR A 115 -4.939 -1.355 -1.863 1.00 0.41 C ATOM 1707 C TYR A 115 -5.938 -0.733 -0.888 1.00 0.41 C ATOM 1708 O TYR A 115 -6.911 -0.124 -1.284 1.00 0.44 O ATOM 1709 CB TYR A 115 -5.255 -2.842 -2.032 1.00 0.44 C ATOM 1710 CG TYR A 115 -6.614 -2.993 -2.672 1.00 0.47 C ATOM 1711 CD1 TYR A 115 -6.749 -2.873 -4.060 1.00 1.28 C ATOM 1712 CD2 TYR A 115 -7.740 -3.248 -1.879 1.00 1.24 C ATOM 1713 CE1 TYR A 115 -8.009 -3.007 -4.655 1.00 1.32 C ATOM 1714 CE2 TYR A 115 -9.000 -3.384 -2.474 1.00 1.26 C ATOM 1715 CZ TYR A 115 -9.134 -3.263 -3.863 1.00 0.61 C ATOM 1716 OH TYR A 115 -10.376 -3.395 -4.450 1.00 0.70 O ATOM 0 H TYR A 115 -3.082 -2.052 -1.077 1.00 0.40 H new ATOM 0 HA TYR A 115 -5.017 -0.856 -2.829 1.00 0.41 H new ATOM 0 HB2 TYR A 115 -4.494 -3.319 -2.650 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -5.239 -3.342 -1.063 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -5.881 -2.677 -4.672 1.00 1.28 H new ATOM 0 HD2 TYR A 115 -7.636 -3.340 -0.808 1.00 1.24 H new ATOM 0 HE1 TYR A 115 -8.113 -2.913 -5.726 1.00 1.32 H new ATOM 0 HE2 TYR A 115 -9.868 -3.582 -1.863 1.00 1.26 H new ATOM 0 HH TYR A 115 -10.999 -3.800 -3.811 1.00 0.70 H new ATOM 1726 N PHE A 116 -5.696 -0.866 0.384 1.00 0.38 N ATOM 1727 CA PHE A 116 -6.625 -0.266 1.377 1.00 0.38 C ATOM 1728 C PHE A 116 -6.626 1.253 1.195 1.00 0.36 C ATOM 1729 O PHE A 116 -7.663 1.889 1.176 1.00 0.35 O ATOM 1730 CB PHE A 116 -6.151 -0.606 2.795 1.00 0.40 C ATOM 1731 CG PHE A 116 -7.075 0.035 3.811 1.00 0.37 C ATOM 1732 CD1 PHE A 116 -8.384 -0.441 3.967 1.00 1.17 C ATOM 1733 CD2 PHE A 116 -6.622 1.104 4.599 1.00 1.35 C ATOM 1734 CE1 PHE A 116 -9.237 0.150 4.908 1.00 1.18 C ATOM 1735 CE2 PHE A 116 -7.477 1.693 5.539 1.00 1.37 C ATOM 1736 CZ PHE A 116 -8.784 1.216 5.693 1.00 0.45 C ATOM 0 H PHE A 116 -4.897 -1.363 0.778 1.00 0.38 H new ATOM 0 HA PHE A 116 -7.630 -0.662 1.229 1.00 0.38 H new ATOM 0 HB2 PHE A 116 -6.136 -1.687 2.934 1.00 0.40 H new ATOM 0 HB3 PHE A 116 -5.131 -0.251 2.942 1.00 0.40 H new ATOM 0 HD1 PHE A 116 -8.735 -1.264 3.362 1.00 1.17 H new ATOM 0 HD2 PHE A 116 -5.614 1.473 4.481 1.00 1.35 H new ATOM 0 HE1 PHE A 116 -10.245 -0.218 5.028 1.00 1.18 H new ATOM 0 HE2 PHE A 116 -7.128 2.516 6.145 1.00 1.37 H new ATOM 0 HZ PHE A 116 -9.443 1.671 6.418 1.00 0.45 H new ATOM 1746 N ALA A 117 -5.474 1.844 1.047 1.00 0.35 N ATOM 1747 CA ALA A 117 -5.426 3.314 0.855 1.00 0.34 C ATOM 1748 C ALA A 117 -5.997 3.676 -0.518 1.00 0.34 C ATOM 1749 O ALA A 117 -6.527 4.749 -0.710 1.00 0.34 O ATOM 1750 CB ALA A 117 -3.980 3.804 0.953 1.00 0.37 C ATOM 0 H ALA A 117 -4.569 1.373 1.051 1.00 0.35 H new ATOM 0 HA ALA A 117 -6.022 3.793 1.632 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -3.952 4.884 0.811 1.00 0.37 H new ATOM 0 HB2 ALA A 117 -3.578 3.556 1.935 1.00 0.37 H new ATOM 0 HB3 ALA A 117 -3.379 3.321 0.182 1.00 0.37 H new ATOM 1756 N SER A 118 -5.893 2.796 -1.479 1.00 0.35 N ATOM 1757 CA SER A 118 -6.422 3.102 -2.838 1.00 0.37 C ATOM 1758 C SER A 118 -7.916 3.438 -2.790 1.00 0.36 C ATOM 1759 O SER A 118 -8.366 4.382 -3.406 1.00 0.36 O ATOM 1760 CB SER A 118 -6.215 1.884 -3.739 1.00 0.42 C ATOM 1761 OG SER A 118 -7.224 0.921 -3.465 1.00 1.25 O ATOM 0 H SER A 118 -5.463 1.876 -1.380 1.00 0.35 H new ATOM 0 HA SER A 118 -5.886 3.967 -3.229 1.00 0.37 H new ATOM 0 HB2 SER A 118 -6.255 2.181 -4.787 1.00 0.42 H new ATOM 0 HB3 SER A 118 -5.229 1.453 -3.567 1.00 0.42 H new ATOM 0 HG SER A 118 -6.937 0.349 -2.723 1.00 1.25 H new ATOM 1767 N LYS A 119 -8.689 2.684 -2.053 1.00 0.37 N ATOM 1768 CA LYS A 119 -10.147 2.987 -1.970 1.00 0.39 C ATOM 1769 C LYS A 119 -10.332 4.296 -1.195 1.00 0.36 C ATOM 1770 O LYS A 119 -11.184 5.095 -1.523 1.00 0.38 O ATOM 1771 CB LYS A 119 -10.899 1.812 -1.312 1.00 0.46 C ATOM 1772 CG LYS A 119 -10.743 1.823 0.231 1.00 1.29 C ATOM 1773 CD LYS A 119 -11.948 2.501 0.904 1.00 1.84 C ATOM 1774 CE LYS A 119 -11.915 2.216 2.407 1.00 2.48 C ATOM 1775 NZ LYS A 119 -12.956 3.038 3.088 1.00 3.36 N ATOM 0 H LYS A 119 -8.377 1.879 -1.510 1.00 0.37 H new ATOM 0 HA LYS A 119 -10.567 3.113 -2.968 1.00 0.39 H new ATOM 0 HB2 LYS A 119 -11.956 1.866 -1.571 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -10.521 0.870 -1.709 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -10.645 0.801 0.597 1.00 1.29 H new ATOM 0 HG3 LYS A 119 -9.827 2.348 0.503 1.00 1.29 H new ATOM 0 HD2 LYS A 119 -11.921 3.576 0.725 1.00 1.84 H new ATOM 0 HD3 LYS A 119 -12.877 2.129 0.472 1.00 1.84 H new ATOM 0 HE2 LYS A 119 -12.093 1.157 2.592 1.00 2.48 H new ATOM 0 HE3 LYS A 119 -10.930 2.449 2.811 1.00 2.48 H new ATOM 0 HZ1 LYS A 119 -12.767 3.060 4.110 1.00 3.36 H new ATOM 0 HZ2 LYS A 119 -12.935 4.007 2.711 1.00 3.36 H new ATOM 0 HZ3 LYS A 119 -13.893 2.621 2.919 1.00 3.36 H new ATOM 1789 N LEU A 120 -9.514 4.560 -0.215 1.00 0.36 N ATOM 1790 CA LEU A 120 -9.629 5.857 0.513 1.00 0.35 C ATOM 1791 C LEU A 120 -9.327 6.987 -0.479 1.00 0.33 C ATOM 1792 O LEU A 120 -10.010 7.991 -0.534 1.00 0.39 O ATOM 1793 CB LEU A 120 -8.608 5.887 1.660 1.00 0.36 C ATOM 1794 CG LEU A 120 -9.002 4.883 2.763 1.00 0.68 C ATOM 1795 CD1 LEU A 120 -7.954 4.929 3.882 1.00 1.69 C ATOM 1796 CD2 LEU A 120 -10.383 5.237 3.358 1.00 1.28 C ATOM 0 H LEU A 120 -8.774 3.939 0.113 1.00 0.36 H new ATOM 0 HA LEU A 120 -10.630 5.978 0.927 1.00 0.35 H new ATOM 0 HB2 LEU A 120 -7.616 5.645 1.278 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -8.552 6.892 2.078 1.00 0.36 H new ATOM 0 HG LEU A 120 -9.051 3.886 2.325 1.00 0.68 H new ATOM 0 HD11 LEU A 120 -8.227 4.221 4.665 1.00 1.69 H new ATOM 0 HD12 LEU A 120 -6.977 4.664 3.477 1.00 1.69 H new ATOM 0 HD13 LEU A 120 -7.912 5.935 4.300 1.00 1.69 H new ATOM 0 HD21 LEU A 120 -10.641 4.516 4.134 1.00 1.28 H new ATOM 0 HD22 LEU A 120 -10.348 6.237 3.790 1.00 1.28 H new ATOM 0 HD23 LEU A 120 -11.137 5.208 2.571 1.00 1.28 H new ATOM 1808 N VAL A 121 -8.323 6.795 -1.292 1.00 0.33 N ATOM 1809 CA VAL A 121 -7.956 7.798 -2.336 1.00 0.39 C ATOM 1810 C VAL A 121 -9.027 7.825 -3.431 1.00 0.36 C ATOM 1811 O VAL A 121 -9.723 8.806 -3.604 1.00 0.39 O ATOM 1812 CB VAL A 121 -6.606 7.420 -2.951 1.00 0.54 C ATOM 1813 CG1 VAL A 121 -6.270 8.400 -4.077 1.00 0.95 C ATOM 1814 CG2 VAL A 121 -5.518 7.504 -1.875 1.00 1.18 C ATOM 0 H VAL A 121 -7.728 5.967 -1.276 1.00 0.33 H new ATOM 0 HA VAL A 121 -7.887 8.785 -1.879 1.00 0.39 H new ATOM 0 HB VAL A 121 -6.657 6.406 -3.347 1.00 0.54 H new ATOM 0 HG11 VAL A 121 -5.309 8.133 -4.517 1.00 0.95 H new ATOM 0 HG12 VAL A 121 -7.045 8.354 -4.842 1.00 0.95 H new ATOM 0 HG13 VAL A 121 -6.217 9.412 -3.675 1.00 0.95 H new ATOM 0 HG21 VAL A 121 -4.555 7.235 -2.309 1.00 1.18 H new ATOM 0 HG22 VAL A 121 -5.469 8.521 -1.485 1.00 1.18 H new ATOM 0 HG23 VAL A 121 -5.755 6.816 -1.064 1.00 1.18 H new ATOM 1824 N LEU A 122 -9.163 6.764 -4.181 1.00 0.37 N ATOM 1825 CA LEU A 122 -10.186 6.750 -5.268 1.00 0.39 C ATOM 1826 C LEU A 122 -11.538 7.214 -4.720 1.00 0.40 C ATOM 1827 O LEU A 122 -12.146 8.130 -5.243 1.00 0.40 O ATOM 1828 CB LEU A 122 -10.331 5.333 -5.836 1.00 0.42 C ATOM 1829 CG LEU A 122 -8.971 4.812 -6.329 1.00 0.72 C ATOM 1830 CD1 LEU A 122 -9.022 3.286 -6.449 1.00 1.15 C ATOM 1831 CD2 LEU A 122 -8.649 5.393 -7.711 1.00 1.24 C ATOM 0 H LEU A 122 -8.613 5.910 -4.089 1.00 0.37 H new ATOM 0 HA LEU A 122 -9.863 7.426 -6.059 1.00 0.39 H new ATOM 0 HB2 LEU A 122 -10.727 4.666 -5.070 1.00 0.42 H new ATOM 0 HB3 LEU A 122 -11.047 5.335 -6.658 1.00 0.42 H new ATOM 0 HG LEU A 122 -8.204 5.114 -5.615 1.00 0.72 H new ATOM 0 HD11 LEU A 122 -8.058 2.916 -6.799 1.00 1.15 H new ATOM 0 HD12 LEU A 122 -9.246 2.852 -5.475 1.00 1.15 H new ATOM 0 HD13 LEU A 122 -9.799 3.003 -7.159 1.00 1.15 H new ATOM 0 HD21 LEU A 122 -7.683 5.016 -8.048 1.00 1.24 H new ATOM 0 HD22 LEU A 122 -9.422 5.096 -8.420 1.00 1.24 H new ATOM 0 HD23 LEU A 122 -8.612 6.481 -7.649 1.00 1.24 H new ATOM 1843 N LYS A 123 -12.015 6.604 -3.671 1.00 0.51 N ATOM 1844 CA LYS A 123 -13.324 7.035 -3.107 1.00 0.55 C ATOM 1845 C LYS A 123 -13.294 8.546 -2.875 1.00 0.54 C ATOM 1846 O LYS A 123 -14.287 9.217 -3.030 1.00 0.55 O ATOM 1847 CB LYS A 123 -13.592 6.311 -1.783 1.00 0.59 C ATOM 1848 CG LYS A 123 -15.016 6.619 -1.287 1.00 0.97 C ATOM 1849 CD LYS A 123 -16.066 5.967 -2.211 1.00 1.37 C ATOM 1850 CE LYS A 123 -17.363 5.717 -1.434 1.00 1.74 C ATOM 1851 NZ LYS A 123 -18.404 5.189 -2.362 1.00 2.32 N ATOM 0 H LYS A 123 -11.560 5.832 -3.183 1.00 0.51 H new ATOM 0 HA LYS A 123 -14.121 6.786 -3.808 1.00 0.55 H new ATOM 0 HB2 LYS A 123 -13.470 5.236 -1.917 1.00 0.59 H new ATOM 0 HB3 LYS A 123 -12.863 6.624 -1.035 1.00 0.59 H new ATOM 0 HG2 LYS A 123 -15.140 6.250 -0.269 1.00 0.97 H new ATOM 0 HG3 LYS A 123 -15.171 7.698 -1.256 1.00 0.97 H new ATOM 0 HD2 LYS A 123 -16.263 6.615 -3.065 1.00 1.37 H new ATOM 0 HD3 LYS A 123 -15.682 5.027 -2.606 1.00 1.37 H new ATOM 0 HE2 LYS A 123 -17.185 5.006 -0.627 1.00 1.74 H new ATOM 0 HE3 LYS A 123 -17.707 6.643 -0.973 1.00 1.74 H new ATOM 0 HZ1 LYS A 123 -19.285 5.019 -1.835 1.00 2.32 H new ATOM 0 HZ2 LYS A 123 -18.580 5.883 -3.117 1.00 2.32 H new ATOM 0 HZ3 LYS A 123 -18.074 4.297 -2.782 1.00 2.32 H new ATOM 1865 N ALA A 124 -12.162 9.087 -2.506 1.00 0.52 N ATOM 1866 CA ALA A 124 -12.082 10.558 -2.265 1.00 0.52 C ATOM 1867 C ALA A 124 -12.080 11.302 -3.603 1.00 0.51 C ATOM 1868 O ALA A 124 -12.515 12.429 -3.711 1.00 0.54 O ATOM 1869 CB ALA A 124 -10.805 10.886 -1.488 1.00 0.51 C ATOM 0 H ALA A 124 -11.292 8.575 -2.361 1.00 0.52 H new ATOM 0 HA ALA A 124 -12.947 10.873 -1.681 1.00 0.52 H new ATOM 0 HB1 ALA A 124 -10.751 11.961 -1.314 1.00 0.51 H new ATOM 0 HB2 ALA A 124 -10.817 10.364 -0.531 1.00 0.51 H new ATOM 0 HB3 ALA A 124 -9.936 10.567 -2.064 1.00 0.51 H new ATOM 1875 N LEU A 125 -11.583 10.666 -4.627 1.00 0.47 N ATOM 1876 CA LEU A 125 -11.537 11.304 -5.961 1.00 0.47 C ATOM 1877 C LEU A 125 -12.950 11.730 -6.380 1.00 0.48 C ATOM 1878 O LEU A 125 -13.144 12.784 -6.952 1.00 0.48 O ATOM 1879 CB LEU A 125 -10.983 10.287 -6.967 1.00 0.51 C ATOM 1880 CG LEU A 125 -10.513 11.016 -8.239 1.00 0.49 C ATOM 1881 CD1 LEU A 125 -9.046 11.438 -8.096 1.00 1.10 C ATOM 1882 CD2 LEU A 125 -10.653 10.095 -9.457 1.00 1.21 C ATOM 0 H LEU A 125 -11.203 9.720 -4.590 1.00 0.47 H new ATOM 0 HA LEU A 125 -10.898 12.187 -5.932 1.00 0.47 H new ATOM 0 HB2 LEU A 125 -10.152 9.738 -6.523 1.00 0.51 H new ATOM 0 HB3 LEU A 125 -11.751 9.555 -7.219 1.00 0.51 H new ATOM 0 HG LEU A 125 -11.134 11.901 -8.378 1.00 0.49 H new ATOM 0 HD11 LEU A 125 -8.725 11.952 -9.002 1.00 1.10 H new ATOM 0 HD12 LEU A 125 -8.942 12.108 -7.242 1.00 1.10 H new ATOM 0 HD13 LEU A 125 -8.427 10.554 -7.942 1.00 1.10 H new ATOM 0 HD21 LEU A 125 -10.318 10.621 -10.351 1.00 1.21 H new ATOM 0 HD22 LEU A 125 -10.044 9.203 -9.311 1.00 1.21 H new ATOM 0 HD23 LEU A 125 -11.697 9.806 -9.576 1.00 1.21 H new ATOM 1894 N CYS A 126 -13.936 10.917 -6.108 1.00 0.52 N ATOM 1895 CA CYS A 126 -15.332 11.281 -6.503 1.00 0.57 C ATOM 1896 C CYS A 126 -15.823 12.449 -5.631 1.00 0.57 C ATOM 1897 O CYS A 126 -16.511 13.343 -6.077 1.00 0.68 O ATOM 1898 CB CYS A 126 -16.242 10.048 -6.337 1.00 0.66 C ATOM 1899 SG CYS A 126 -16.865 9.942 -4.637 1.00 1.67 S ATOM 0 H CYS A 126 -13.838 10.020 -5.632 1.00 0.52 H new ATOM 0 HA CYS A 126 -15.358 11.596 -7.546 1.00 0.57 H new ATOM 0 HB2 CYS A 126 -17.078 10.109 -7.034 1.00 0.66 H new ATOM 0 HB3 CYS A 126 -15.687 9.143 -6.584 1.00 0.66 H new ATOM 0 HG CYS A 126 -15.902 9.577 -3.844 1.00 1.67 H new ATOM 1905 N THR A 127 -15.446 12.421 -4.387 1.00 0.57 N ATOM 1906 CA THR A 127 -15.829 13.494 -3.424 1.00 0.60 C ATOM 1907 C THR A 127 -15.175 14.809 -3.842 1.00 0.62 C ATOM 1908 O THR A 127 -15.568 15.881 -3.428 1.00 0.70 O ATOM 1909 CB THR A 127 -15.351 13.066 -2.025 1.00 0.60 C ATOM 1910 OG1 THR A 127 -13.934 13.008 -1.977 1.00 1.14 O ATOM 1911 CG2 THR A 127 -15.952 11.683 -1.786 1.00 1.19 C ATOM 0 H THR A 127 -14.873 11.680 -3.984 1.00 0.57 H new ATOM 0 HA THR A 127 -16.909 13.642 -3.413 1.00 0.60 H new ATOM 0 HB THR A 127 -15.664 13.777 -1.261 1.00 0.60 H new ATOM 0 HG1 THR A 127 -13.576 12.988 -2.889 1.00 1.14 H new ATOM 0 HG21 THR A 127 -15.649 11.320 -0.804 1.00 1.19 H new ATOM 0 HG22 THR A 127 -17.039 11.746 -1.830 1.00 1.19 H new ATOM 0 HG23 THR A 127 -15.597 10.995 -2.553 1.00 1.19 H new ATOM 1919 N LYS A 128 -14.163 14.713 -4.670 1.00 0.60 N ATOM 1920 CA LYS A 128 -13.442 15.928 -5.146 1.00 0.70 C ATOM 1921 C LYS A 128 -12.944 16.714 -3.941 1.00 0.61 C ATOM 1922 O LYS A 128 -13.475 17.762 -3.630 1.00 0.60 O ATOM 1923 CB LYS A 128 -14.371 16.810 -5.989 1.00 0.87 C ATOM 1924 CG LYS A 128 -14.827 16.044 -7.238 1.00 1.12 C ATOM 1925 CD LYS A 128 -15.881 16.863 -8.013 1.00 1.43 C ATOM 1926 CE LYS A 128 -17.285 16.589 -7.458 1.00 1.83 C ATOM 1927 NZ LYS A 128 -18.272 17.468 -8.148 1.00 2.47 N ATOM 0 H LYS A 128 -13.804 13.832 -5.039 1.00 0.60 H new ATOM 0 HA LYS A 128 -12.599 15.622 -5.766 1.00 0.70 H new ATOM 0 HB2 LYS A 128 -15.237 17.109 -5.399 1.00 0.87 H new ATOM 0 HB3 LYS A 128 -13.853 17.724 -6.281 1.00 0.87 H new ATOM 0 HG2 LYS A 128 -13.971 15.840 -7.881 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -15.246 15.080 -6.949 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -15.654 17.926 -7.936 1.00 1.43 H new ATOM 0 HD3 LYS A 128 -15.845 16.605 -9.072 1.00 1.43 H new ATOM 0 HE2 LYS A 128 -17.548 15.542 -7.606 1.00 1.83 H new ATOM 0 HE3 LYS A 128 -17.306 16.774 -6.384 1.00 1.83 H new ATOM 0 HZ1 LYS A 128 -19.224 17.283 -7.772 1.00 2.47 H new ATOM 0 HZ2 LYS A 128 -18.023 18.464 -7.985 1.00 2.47 H new ATOM 0 HZ3 LYS A 128 -18.258 17.271 -9.169 1.00 2.47 H new ATOM 1941 N VAL A 129 -11.938 16.230 -3.248 1.00 0.60 N ATOM 1942 CA VAL A 129 -11.427 16.974 -2.053 1.00 0.53 C ATOM 1943 C VAL A 129 -9.887 16.922 -2.044 1.00 0.53 C ATOM 1944 O VAL A 129 -9.316 16.146 -1.304 1.00 0.56 O ATOM 1945 CB VAL A 129 -11.967 16.290 -0.794 1.00 0.57 C ATOM 1946 CG1 VAL A 129 -11.608 17.113 0.439 1.00 1.40 C ATOM 1947 CG2 VAL A 129 -13.488 16.150 -0.897 1.00 1.22 C ATOM 0 H VAL A 129 -11.452 15.358 -3.457 1.00 0.60 H new ATOM 0 HA VAL A 129 -11.752 18.014 -2.085 1.00 0.53 H new ATOM 0 HB VAL A 129 -11.519 15.301 -0.704 1.00 0.57 H new ATOM 0 HG11 VAL A 129 -11.995 16.620 1.331 1.00 1.40 H new ATOM 0 HG12 VAL A 129 -10.524 17.201 0.515 1.00 1.40 H new ATOM 0 HG13 VAL A 129 -12.048 18.107 0.354 1.00 1.40 H new ATOM 0 HG21 VAL A 129 -13.870 15.663 0.000 1.00 1.22 H new ATOM 0 HG22 VAL A 129 -13.939 17.138 -0.994 1.00 1.22 H new ATOM 0 HG23 VAL A 129 -13.740 15.549 -1.771 1.00 1.22 H new ATOM 1957 N PRO A 130 -9.245 17.732 -2.868 1.00 0.62 N ATOM 1958 CA PRO A 130 -7.770 17.740 -2.941 1.00 0.73 C ATOM 1959 C PRO A 130 -7.170 18.018 -1.554 1.00 0.65 C ATOM 1960 O PRO A 130 -6.012 17.746 -1.301 1.00 0.64 O ATOM 1961 CB PRO A 130 -7.415 18.821 -3.984 1.00 1.00 C ATOM 1962 CG PRO A 130 -8.758 19.375 -4.549 1.00 1.00 C ATOM 1963 CD PRO A 130 -9.913 18.693 -3.775 1.00 0.75 C ATOM 0 HA PRO A 130 -7.355 16.779 -3.244 1.00 0.73 H new ATOM 0 HB2 PRO A 130 -6.831 19.620 -3.527 1.00 1.00 H new ATOM 0 HB3 PRO A 130 -6.806 18.399 -4.784 1.00 1.00 H new ATOM 0 HG2 PRO A 130 -8.805 20.457 -4.430 1.00 1.00 H new ATOM 0 HG3 PRO A 130 -8.838 19.168 -5.616 1.00 1.00 H new ATOM 0 HD2 PRO A 130 -10.499 19.422 -3.216 1.00 0.75 H new ATOM 0 HD3 PRO A 130 -10.598 18.185 -4.454 1.00 0.75 H new ATOM 1971 N GLU A 131 -7.963 18.501 -0.646 1.00 0.73 N ATOM 1972 CA GLU A 131 -7.469 18.741 0.739 1.00 0.82 C ATOM 1973 C GLU A 131 -7.211 17.390 1.414 1.00 0.72 C ATOM 1974 O GLU A 131 -6.294 17.219 2.197 1.00 0.73 O ATOM 1975 CB GLU A 131 -8.562 19.472 1.522 1.00 1.09 C ATOM 1976 CG GLU A 131 -8.767 20.867 0.924 1.00 1.55 C ATOM 1977 CD GLU A 131 -9.482 20.742 -0.423 1.00 2.17 C ATOM 1978 OE1 GLU A 131 -10.692 20.588 -0.415 1.00 2.86 O ATOM 1979 OE2 GLU A 131 -8.807 20.801 -1.437 1.00 2.52 O ATOM 0 H GLU A 131 -8.942 18.743 -0.802 1.00 0.73 H new ATOM 0 HA GLU A 131 -6.553 19.331 0.715 1.00 0.82 H new ATOM 0 HB2 GLU A 131 -9.493 18.907 1.483 1.00 1.09 H new ATOM 0 HB3 GLU A 131 -8.281 19.552 2.572 1.00 1.09 H new ATOM 0 HG2 GLU A 131 -9.354 21.484 1.604 1.00 1.55 H new ATOM 0 HG3 GLU A 131 -7.806 21.364 0.793 1.00 1.55 H new ATOM 1986 N LEU A 132 -8.035 16.424 1.097 1.00 0.71 N ATOM 1987 CA LEU A 132 -7.907 15.063 1.687 1.00 0.69 C ATOM 1988 C LEU A 132 -6.891 14.219 0.908 1.00 0.58 C ATOM 1989 O LEU A 132 -5.971 13.685 1.488 1.00 0.59 O ATOM 1990 CB LEU A 132 -9.283 14.380 1.646 1.00 0.80 C ATOM 1991 CG LEU A 132 -9.221 12.983 2.284 1.00 0.60 C ATOM 1992 CD1 LEU A 132 -8.849 13.090 3.774 1.00 1.11 C ATOM 1993 CD2 LEU A 132 -10.593 12.311 2.143 1.00 0.77 C ATOM 0 H LEU A 132 -8.807 16.527 0.439 1.00 0.71 H new ATOM 0 HA LEU A 132 -7.555 15.152 2.715 1.00 0.69 H new ATOM 0 HB2 LEU A 132 -10.014 14.993 2.174 1.00 0.80 H new ATOM 0 HB3 LEU A 132 -9.622 14.298 0.613 1.00 0.80 H new ATOM 0 HG LEU A 132 -8.460 12.389 1.778 1.00 0.60 H new ATOM 0 HD11 LEU A 132 -8.809 12.092 4.212 1.00 1.11 H new ATOM 0 HD12 LEU A 132 -7.875 13.569 3.872 1.00 1.11 H new ATOM 0 HD13 LEU A 132 -9.600 13.685 4.295 1.00 1.11 H new ATOM 0 HD21 LEU A 132 -10.560 11.319 2.593 1.00 0.77 H new ATOM 0 HD22 LEU A 132 -11.347 12.914 2.649 1.00 0.77 H new ATOM 0 HD23 LEU A 132 -10.848 12.223 1.087 1.00 0.77 H new ATOM 2005 N ILE A 133 -7.037 14.086 -0.387 1.00 0.52 N ATOM 2006 CA ILE A 133 -6.063 13.253 -1.169 1.00 0.46 C ATOM 2007 C ILE A 133 -4.631 13.530 -0.702 1.00 0.43 C ATOM 2008 O ILE A 133 -3.876 12.626 -0.400 1.00 0.46 O ATOM 2009 CB ILE A 133 -6.184 13.574 -2.658 1.00 0.45 C ATOM 2010 CG1 ILE A 133 -7.638 13.373 -3.101 1.00 0.42 C ATOM 2011 CG2 ILE A 133 -5.269 12.637 -3.451 1.00 0.49 C ATOM 2012 CD1 ILE A 133 -7.808 13.825 -4.553 1.00 1.19 C ATOM 0 H ILE A 133 -7.782 14.514 -0.936 1.00 0.52 H new ATOM 0 HA ILE A 133 -6.293 12.201 -1.004 1.00 0.46 H new ATOM 0 HB ILE A 133 -5.890 14.608 -2.840 1.00 0.45 H new ATOM 0 HG12 ILE A 133 -7.915 12.323 -3.003 1.00 0.42 H new ATOM 0 HG13 ILE A 133 -8.306 13.941 -2.454 1.00 0.42 H new ATOM 0 HG21 ILE A 133 -5.352 12.862 -4.514 1.00 0.49 H new ATOM 0 HG22 ILE A 133 -4.237 12.778 -3.129 1.00 0.49 H new ATOM 0 HG23 ILE A 133 -5.566 11.603 -3.275 1.00 0.49 H new ATOM 0 HD11 ILE A 133 -8.843 13.679 -4.861 1.00 1.19 H new ATOM 0 HD12 ILE A 133 -7.549 14.880 -4.638 1.00 1.19 H new ATOM 0 HD13 ILE A 133 -7.152 13.238 -5.196 1.00 1.19 H new ATOM 2024 N ARG A 134 -4.262 14.777 -0.623 1.00 0.42 N ATOM 2025 CA ARG A 134 -2.893 15.128 -0.153 1.00 0.43 C ATOM 2026 C ARG A 134 -2.721 14.664 1.298 1.00 0.40 C ATOM 2027 O ARG A 134 -1.697 14.124 1.671 1.00 0.39 O ATOM 2028 CB ARG A 134 -2.721 16.650 -0.218 1.00 0.51 C ATOM 2029 CG ARG A 134 -2.887 17.124 -1.664 1.00 1.26 C ATOM 2030 CD ARG A 134 -2.792 18.652 -1.720 1.00 1.57 C ATOM 2031 NE ARG A 134 -3.025 19.111 -3.120 1.00 2.30 N ATOM 2032 CZ ARG A 134 -3.277 20.368 -3.364 1.00 2.86 C ATOM 2033 NH1 ARG A 134 -3.320 21.229 -2.384 1.00 2.98 N ATOM 2034 NH2 ARG A 134 -3.484 20.766 -4.590 1.00 3.71 N ATOM 0 H ARG A 134 -4.853 15.573 -0.865 1.00 0.42 H new ATOM 0 HA ARG A 134 -2.149 14.641 -0.783 1.00 0.43 H new ATOM 0 HB2 ARG A 134 -3.457 17.137 0.422 1.00 0.51 H new ATOM 0 HB3 ARG A 134 -1.737 16.931 0.157 1.00 0.51 H new ATOM 0 HG2 ARG A 134 -2.117 16.679 -2.294 1.00 1.26 H new ATOM 0 HG3 ARG A 134 -3.849 16.795 -2.057 1.00 1.26 H new ATOM 0 HD2 ARG A 134 -3.529 19.098 -1.052 1.00 1.57 H new ATOM 0 HD3 ARG A 134 -1.811 18.979 -1.377 1.00 1.57 H new ATOM 0 HE ARG A 134 -2.987 18.441 -3.888 1.00 2.30 H new ATOM 0 HH11 ARG A 134 -3.156 20.920 -1.426 1.00 2.98 H new ATOM 0 HH12 ARG A 134 -3.517 22.211 -2.576 1.00 2.98 H new ATOM 0 HH21 ARG A 134 -3.449 20.095 -5.357 1.00 3.71 H new ATOM 0 HH22 ARG A 134 -3.681 21.748 -4.781 1.00 3.71 H new ATOM 2048 N THR A 135 -3.712 14.878 2.120 1.00 0.41 N ATOM 2049 CA THR A 135 -3.585 14.457 3.545 1.00 0.41 C ATOM 2050 C THR A 135 -3.503 12.930 3.661 1.00 0.39 C ATOM 2051 O THR A 135 -3.014 12.388 4.636 1.00 0.52 O ATOM 2052 CB THR A 135 -4.779 14.961 4.355 1.00 0.42 C ATOM 2053 OG1 THR A 135 -4.776 16.382 4.359 1.00 0.89 O ATOM 2054 CG2 THR A 135 -4.672 14.448 5.795 1.00 0.88 C ATOM 0 H THR A 135 -4.596 15.322 1.870 1.00 0.41 H new ATOM 0 HA THR A 135 -2.666 14.890 3.940 1.00 0.41 H new ATOM 0 HB THR A 135 -5.704 14.597 3.908 1.00 0.42 H new ATOM 0 HG1 THR A 135 -5.318 16.712 3.612 1.00 0.89 H new ATOM 0 HG21 THR A 135 -5.523 14.807 6.373 1.00 0.88 H new ATOM 0 HG22 THR A 135 -4.668 13.358 5.794 1.00 0.88 H new ATOM 0 HG23 THR A 135 -3.748 14.814 6.244 1.00 0.88 H new ATOM 2062 N ILE A 136 -3.967 12.230 2.657 1.00 0.35 N ATOM 2063 CA ILE A 136 -3.912 10.741 2.690 1.00 0.36 C ATOM 2064 C ILE A 136 -2.468 10.298 2.466 1.00 0.35 C ATOM 2065 O ILE A 136 -1.794 9.882 3.387 1.00 0.51 O ATOM 2066 CB ILE A 136 -4.808 10.178 1.577 1.00 0.46 C ATOM 2067 CG1 ILE A 136 -6.279 10.592 1.822 1.00 0.60 C ATOM 2068 CG2 ILE A 136 -4.681 8.648 1.530 1.00 0.94 C ATOM 2069 CD1 ILE A 136 -6.985 9.606 2.757 1.00 0.64 C ATOM 0 H ILE A 136 -4.382 12.629 1.815 1.00 0.35 H new ATOM 0 HA ILE A 136 -4.263 10.372 3.654 1.00 0.36 H new ATOM 0 HB ILE A 136 -4.488 10.585 0.618 1.00 0.46 H new ATOM 0 HG12 ILE A 136 -6.311 11.592 2.254 1.00 0.60 H new ATOM 0 HG13 ILE A 136 -6.809 10.638 0.871 1.00 0.60 H new ATOM 0 HG21 ILE A 136 -5.319 8.254 0.739 1.00 0.94 H new ATOM 0 HG22 ILE A 136 -3.645 8.375 1.331 1.00 0.94 H new ATOM 0 HG23 ILE A 136 -4.989 8.228 2.487 1.00 0.94 H new ATOM 0 HD11 ILE A 136 -8.016 9.924 2.910 1.00 0.64 H new ATOM 0 HD12 ILE A 136 -6.974 8.611 2.312 1.00 0.64 H new ATOM 0 HD13 ILE A 136 -6.468 9.580 3.716 1.00 0.64 H new ATOM 2081 N MET A 137 -1.995 10.370 1.244 1.00 0.35 N ATOM 2082 CA MET A 137 -0.592 9.945 0.937 1.00 0.33 C ATOM 2083 C MET A 137 0.356 10.357 2.067 1.00 0.31 C ATOM 2084 O MET A 137 1.367 9.732 2.319 1.00 0.34 O ATOM 2085 CB MET A 137 -0.137 10.596 -0.377 1.00 0.36 C ATOM 2086 CG MET A 137 -1.171 10.327 -1.503 1.00 0.67 C ATOM 2087 SD MET A 137 -0.353 9.556 -2.927 1.00 1.13 S ATOM 2088 CE MET A 137 0.403 11.058 -3.593 1.00 0.67 C ATOM 0 H MET A 137 -2.525 10.708 0.441 1.00 0.35 H new ATOM 0 HA MET A 137 -0.568 8.860 0.840 1.00 0.33 H new ATOM 0 HB2 MET A 137 -0.016 11.670 -0.235 1.00 0.36 H new ATOM 0 HB3 MET A 137 0.837 10.201 -0.667 1.00 0.36 H new ATOM 0 HG2 MET A 137 -1.963 9.677 -1.132 1.00 0.67 H new ATOM 0 HG3 MET A 137 -1.642 11.262 -1.806 1.00 0.67 H new ATOM 0 HE1 MET A 137 0.968 10.813 -4.492 1.00 0.67 H new ATOM 0 HE2 MET A 137 -0.376 11.779 -3.839 1.00 0.67 H new ATOM 0 HE3 MET A 137 1.074 11.488 -2.849 1.00 0.67 H new ATOM 2098 N GLY A 138 0.004 11.409 2.758 1.00 0.31 N ATOM 2099 CA GLY A 138 0.829 11.900 3.898 1.00 0.33 C ATOM 2100 C GLY A 138 0.874 10.824 4.982 1.00 0.33 C ATOM 2101 O GLY A 138 1.927 10.447 5.456 1.00 0.34 O ATOM 0 H GLY A 138 -0.836 11.958 2.576 1.00 0.31 H new ATOM 0 HA2 GLY A 138 1.838 12.134 3.559 1.00 0.33 H new ATOM 0 HA3 GLY A 138 0.406 12.821 4.299 1.00 0.33 H new ATOM 2105 N TRP A 139 -0.266 10.324 5.373 1.00 0.34 N ATOM 2106 CA TRP A 139 -0.286 9.264 6.422 1.00 0.37 C ATOM 2107 C TRP A 139 0.331 7.971 5.873 1.00 0.35 C ATOM 2108 O TRP A 139 0.808 7.136 6.615 1.00 0.39 O ATOM 2109 CB TRP A 139 -1.720 8.998 6.886 1.00 0.43 C ATOM 2110 CG TRP A 139 -2.345 10.246 7.447 1.00 0.46 C ATOM 2111 CD1 TRP A 139 -1.683 11.293 8.012 1.00 0.54 C ATOM 2112 CD2 TRP A 139 -3.761 10.584 7.513 1.00 0.53 C ATOM 2113 NE1 TRP A 139 -2.606 12.241 8.411 1.00 0.57 N ATOM 2114 CE2 TRP A 139 -3.897 11.851 8.126 1.00 0.56 C ATOM 2115 CE3 TRP A 139 -4.929 9.918 7.103 1.00 0.67 C ATOM 2116 CZ2 TRP A 139 -5.148 12.437 8.325 1.00 0.66 C ATOM 2117 CZ3 TRP A 139 -6.189 10.504 7.301 1.00 0.81 C ATOM 2118 CH2 TRP A 139 -6.298 11.761 7.911 1.00 0.78 C ATOM 0 H TRP A 139 -1.180 10.601 5.014 1.00 0.34 H new ATOM 0 HA TRP A 139 0.300 9.608 7.274 1.00 0.37 H new ATOM 0 HB2 TRP A 139 -2.315 8.634 6.049 1.00 0.43 H new ATOM 0 HB3 TRP A 139 -1.722 8.214 7.643 1.00 0.43 H new ATOM 0 HD1 TRP A 139 -0.612 11.370 8.129 1.00 0.54 H new ATOM 0 HE1 TRP A 139 -2.361 13.123 8.862 1.00 0.57 H new ATOM 0 HE3 TRP A 139 -4.856 8.949 6.632 1.00 0.67 H new ATOM 0 HZ2 TRP A 139 -5.226 13.406 8.796 1.00 0.66 H new ATOM 0 HZ3 TRP A 139 -7.080 9.983 6.981 1.00 0.81 H new ATOM 0 HH2 TRP A 139 -7.270 12.207 8.061 1.00 0.78 H new ATOM 2129 N THR A 140 0.330 7.802 4.575 1.00 0.34 N ATOM 2130 CA THR A 140 0.921 6.567 3.982 1.00 0.36 C ATOM 2131 C THR A 140 2.442 6.601 4.165 1.00 0.34 C ATOM 2132 O THR A 140 2.994 5.881 4.973 1.00 0.39 O ATOM 2133 CB THR A 140 0.579 6.502 2.490 1.00 0.38 C ATOM 2134 OG1 THR A 140 -0.812 6.735 2.317 1.00 1.20 O ATOM 2135 CG2 THR A 140 0.938 5.122 1.936 1.00 1.17 C ATOM 0 H THR A 140 -0.054 8.465 3.902 1.00 0.34 H new ATOM 0 HA THR A 140 0.514 5.687 4.480 1.00 0.36 H new ATOM 0 HB THR A 140 1.148 7.262 1.955 1.00 0.38 H new ATOM 0 HG1 THR A 140 -1.034 6.696 1.363 1.00 1.20 H new ATOM 0 HG21 THR A 140 0.693 5.081 0.875 1.00 1.17 H new ATOM 0 HG22 THR A 140 2.005 4.943 2.069 1.00 1.17 H new ATOM 0 HG23 THR A 140 0.372 4.358 2.469 1.00 1.17 H new ATOM 2143 N LEU A 141 3.123 7.445 3.436 1.00 0.33 N ATOM 2144 CA LEU A 141 4.605 7.538 3.588 1.00 0.34 C ATOM 2145 C LEU A 141 4.957 7.662 5.075 1.00 0.33 C ATOM 2146 O LEU A 141 6.053 7.342 5.488 1.00 0.33 O ATOM 2147 CB LEU A 141 5.138 8.751 2.813 1.00 0.35 C ATOM 2148 CG LEU A 141 4.786 8.617 1.318 1.00 0.41 C ATOM 2149 CD1 LEU A 141 4.815 9.997 0.653 1.00 0.99 C ATOM 2150 CD2 LEU A 141 5.802 7.706 0.618 1.00 0.80 C ATOM 0 H LEU A 141 2.718 8.074 2.742 1.00 0.33 H new ATOM 0 HA LEU A 141 5.068 6.638 3.184 1.00 0.34 H new ATOM 0 HB2 LEU A 141 4.708 9.668 3.216 1.00 0.35 H new ATOM 0 HB3 LEU A 141 6.219 8.825 2.936 1.00 0.35 H new ATOM 0 HG LEU A 141 3.789 8.186 1.231 1.00 0.41 H new ATOM 0 HD11 LEU A 141 4.566 9.897 -0.403 1.00 0.99 H new ATOM 0 HD12 LEU A 141 4.089 10.650 1.137 1.00 0.99 H new ATOM 0 HD13 LEU A 141 5.812 10.427 0.751 1.00 0.99 H new ATOM 0 HD21 LEU A 141 5.545 7.618 -0.438 1.00 0.80 H new ATOM 0 HD22 LEU A 141 6.800 8.133 0.714 1.00 0.80 H new ATOM 0 HD23 LEU A 141 5.784 6.719 1.080 1.00 0.80 H new ATOM 2162 N ASP A 142 4.039 8.107 5.885 1.00 0.36 N ATOM 2163 CA ASP A 142 4.333 8.226 7.344 1.00 0.37 C ATOM 2164 C ASP A 142 4.444 6.821 7.950 1.00 0.37 C ATOM 2165 O ASP A 142 5.197 6.588 8.874 1.00 0.42 O ATOM 2166 CB ASP A 142 3.203 8.993 8.033 1.00 0.37 C ATOM 2167 CG ASP A 142 3.572 9.237 9.498 1.00 0.78 C ATOM 2168 OD1 ASP A 142 3.294 8.371 10.311 1.00 1.59 O ATOM 2169 OD2 ASP A 142 4.128 10.285 9.781 1.00 1.32 O ATOM 0 H ASP A 142 3.101 8.393 5.604 1.00 0.36 H new ATOM 0 HA ASP A 142 5.271 8.763 7.487 1.00 0.37 H new ATOM 0 HB2 ASP A 142 3.032 9.943 7.527 1.00 0.37 H new ATOM 0 HB3 ASP A 142 2.274 8.427 7.970 1.00 0.37 H new ATOM 2174 N PHE A 143 3.696 5.887 7.429 1.00 0.41 N ATOM 2175 CA PHE A 143 3.740 4.489 7.955 1.00 0.43 C ATOM 2176 C PHE A 143 4.905 3.723 7.319 1.00 0.43 C ATOM 2177 O PHE A 143 5.726 3.155 8.013 1.00 0.45 O ATOM 2178 CB PHE A 143 2.425 3.786 7.606 1.00 0.44 C ATOM 2179 CG PHE A 143 2.320 2.486 8.368 1.00 0.47 C ATOM 2180 CD1 PHE A 143 2.954 1.336 7.883 1.00 1.16 C ATOM 2181 CD2 PHE A 143 1.584 2.430 9.558 1.00 1.29 C ATOM 2182 CE1 PHE A 143 2.852 0.130 8.587 1.00 1.22 C ATOM 2183 CE2 PHE A 143 1.482 1.224 10.262 1.00 1.35 C ATOM 2184 CZ PHE A 143 2.116 0.074 9.777 1.00 0.72 C ATOM 0 H PHE A 143 3.049 6.032 6.654 1.00 0.41 H new ATOM 0 HA PHE A 143 3.879 4.514 9.036 1.00 0.43 H new ATOM 0 HB2 PHE A 143 1.581 4.431 7.852 1.00 0.44 H new ATOM 0 HB3 PHE A 143 2.378 3.594 6.534 1.00 0.44 H new ATOM 0 HD1 PHE A 143 3.522 1.379 6.965 1.00 1.16 H new ATOM 0 HD2 PHE A 143 1.095 3.317 9.933 1.00 1.29 H new ATOM 0 HE1 PHE A 143 3.341 -0.757 8.212 1.00 1.22 H new ATOM 0 HE2 PHE A 143 0.914 1.181 11.180 1.00 1.35 H new ATOM 0 HZ PHE A 143 2.038 -0.856 10.320 1.00 0.72 H new ATOM 2194 N LEU A 144 4.996 3.695 6.020 1.00 0.45 N ATOM 2195 CA LEU A 144 6.124 2.954 5.380 1.00 0.47 C ATOM 2196 C LEU A 144 7.444 3.507 5.937 1.00 0.47 C ATOM 2197 O LEU A 144 8.310 2.762 6.353 1.00 0.49 O ATOM 2198 CB LEU A 144 6.009 3.107 3.837 1.00 0.49 C ATOM 2199 CG LEU A 144 7.379 3.245 3.133 1.00 0.64 C ATOM 2200 CD1 LEU A 144 8.145 1.923 3.208 1.00 1.31 C ATOM 2201 CD2 LEU A 144 7.145 3.611 1.663 1.00 1.01 C ATOM 0 H LEU A 144 4.347 4.147 5.376 1.00 0.45 H new ATOM 0 HA LEU A 144 6.090 1.888 5.605 1.00 0.47 H new ATOM 0 HB2 LEU A 144 5.485 2.242 3.431 1.00 0.49 H new ATOM 0 HB3 LEU A 144 5.402 3.983 3.610 1.00 0.49 H new ATOM 0 HG LEU A 144 7.963 4.021 3.627 1.00 0.64 H new ATOM 0 HD11 LEU A 144 9.108 2.032 2.709 1.00 1.31 H new ATOM 0 HD12 LEU A 144 8.305 1.654 4.252 1.00 1.31 H new ATOM 0 HD13 LEU A 144 7.568 1.140 2.716 1.00 1.31 H new ATOM 0 HD21 LEU A 144 8.105 3.711 1.156 1.00 1.01 H new ATOM 0 HD22 LEU A 144 6.560 2.827 1.182 1.00 1.01 H new ATOM 0 HD23 LEU A 144 6.604 4.555 1.605 1.00 1.01 H new ATOM 2213 N ARG A 145 7.605 4.795 5.949 1.00 0.47 N ATOM 2214 CA ARG A 145 8.866 5.385 6.478 1.00 0.48 C ATOM 2215 C ARG A 145 9.066 4.991 7.950 1.00 0.49 C ATOM 2216 O ARG A 145 10.176 4.788 8.398 1.00 0.50 O ATOM 2217 CB ARG A 145 8.790 6.911 6.366 1.00 0.49 C ATOM 2218 CG ARG A 145 10.139 7.524 6.752 1.00 0.69 C ATOM 2219 CD ARG A 145 10.056 9.052 6.673 1.00 0.68 C ATOM 2220 NE ARG A 145 11.188 9.646 7.439 1.00 1.56 N ATOM 2221 CZ ARG A 145 11.497 10.904 7.282 1.00 2.10 C ATOM 2222 NH1 ARG A 145 10.814 11.647 6.455 1.00 2.12 N ATOM 2223 NH2 ARG A 145 12.489 11.419 7.955 1.00 3.16 N ATOM 0 H ARG A 145 6.917 5.470 5.615 1.00 0.47 H new ATOM 0 HA ARG A 145 9.707 5.008 5.897 1.00 0.48 H new ATOM 0 HB2 ARG A 145 8.527 7.198 5.348 1.00 0.49 H new ATOM 0 HB3 ARG A 145 8.005 7.295 7.018 1.00 0.49 H new ATOM 0 HG2 ARG A 145 10.413 7.217 7.761 1.00 0.69 H new ATOM 0 HG3 ARG A 145 10.919 7.158 6.085 1.00 0.69 H new ATOM 0 HD2 ARG A 145 10.095 9.377 5.633 1.00 0.68 H new ATOM 0 HD3 ARG A 145 9.106 9.398 7.079 1.00 0.68 H new ATOM 0 HE ARG A 145 11.722 9.068 8.087 1.00 1.56 H new ATOM 0 HH11 ARG A 145 10.037 11.245 5.930 1.00 2.12 H new ATOM 0 HH12 ARG A 145 11.057 12.630 6.333 1.00 2.12 H new ATOM 0 HH21 ARG A 145 13.022 10.838 8.603 1.00 3.16 H new ATOM 0 HH22 ARG A 145 12.732 12.402 7.833 1.00 3.16 H new ATOM 2237 N GLU A 146 8.013 4.946 8.723 1.00 0.49 N ATOM 2238 CA GLU A 146 8.173 4.634 10.182 1.00 0.51 C ATOM 2239 C GLU A 146 8.171 3.124 10.485 1.00 0.53 C ATOM 2240 O GLU A 146 8.978 2.679 11.277 1.00 0.55 O ATOM 2241 CB GLU A 146 7.046 5.305 10.967 1.00 0.52 C ATOM 2242 CG GLU A 146 7.191 6.824 10.871 1.00 0.96 C ATOM 2243 CD GLU A 146 8.357 7.281 11.749 1.00 1.48 C ATOM 2244 OE1 GLU A 146 8.195 7.285 12.958 1.00 2.03 O ATOM 2245 OE2 GLU A 146 9.392 7.617 11.198 1.00 2.22 O ATOM 0 H GLU A 146 7.055 5.110 8.415 1.00 0.49 H new ATOM 0 HA GLU A 146 9.147 5.018 10.484 1.00 0.51 H new ATOM 0 HB2 GLU A 146 6.079 4.996 10.571 1.00 0.52 H new ATOM 0 HB3 GLU A 146 7.078 4.991 12.010 1.00 0.52 H new ATOM 0 HG2 GLU A 146 7.364 7.119 9.836 1.00 0.96 H new ATOM 0 HG3 GLU A 146 6.269 7.309 11.191 1.00 0.96 H new ATOM 2252 N ARG A 147 7.271 2.332 9.942 1.00 0.59 N ATOM 2253 CA ARG A 147 7.258 0.868 10.321 1.00 0.62 C ATOM 2254 C ARG A 147 7.910 -0.011 9.246 1.00 0.58 C ATOM 2255 O ARG A 147 8.708 -0.880 9.535 1.00 0.62 O ATOM 2256 CB ARG A 147 5.799 0.416 10.510 1.00 0.63 C ATOM 2257 CG ARG A 147 5.212 0.986 11.824 1.00 0.73 C ATOM 2258 CD ARG A 147 4.658 2.413 11.608 1.00 1.11 C ATOM 2259 NE ARG A 147 5.018 3.286 12.774 1.00 1.75 N ATOM 2260 CZ ARG A 147 4.854 2.878 14.008 1.00 2.40 C ATOM 2261 NH1 ARG A 147 4.266 1.741 14.259 1.00 2.71 N ATOM 2262 NH2 ARG A 147 5.246 3.633 14.997 1.00 3.30 N ATOM 0 H ARG A 147 6.560 2.621 9.270 1.00 0.59 H new ATOM 0 HA ARG A 147 7.830 0.755 11.242 1.00 0.62 H new ATOM 0 HB2 ARG A 147 5.198 0.749 9.664 1.00 0.63 H new ATOM 0 HB3 ARG A 147 5.750 -0.673 10.527 1.00 0.63 H new ATOM 0 HG2 ARG A 147 4.417 0.334 12.185 1.00 0.73 H new ATOM 0 HG3 ARG A 147 5.983 1.004 12.594 1.00 0.73 H new ATOM 0 HD2 ARG A 147 5.065 2.834 10.689 1.00 1.11 H new ATOM 0 HD3 ARG A 147 3.575 2.377 11.491 1.00 1.11 H new ATOM 0 HE ARG A 147 5.398 4.217 12.602 1.00 1.75 H new ATOM 0 HH11 ARG A 147 3.929 1.161 13.491 1.00 2.71 H new ATOM 0 HH12 ARG A 147 4.143 1.432 15.223 1.00 2.71 H new ATOM 0 HH21 ARG A 147 5.678 4.537 14.808 1.00 3.30 H new ATOM 0 HH22 ARG A 147 5.120 3.319 15.959 1.00 3.30 H new ATOM 2276 N LEU A 148 7.535 0.183 8.014 1.00 0.53 N ATOM 2277 CA LEU A 148 8.074 -0.658 6.907 1.00 0.57 C ATOM 2278 C LEU A 148 9.385 -0.088 6.337 1.00 0.67 C ATOM 2279 O LEU A 148 9.659 -0.235 5.166 1.00 1.61 O ATOM 2280 CB LEU A 148 7.000 -0.724 5.775 1.00 0.59 C ATOM 2281 CG LEU A 148 6.841 -2.172 5.200 1.00 0.70 C ATOM 2282 CD1 LEU A 148 8.215 -2.771 4.838 1.00 1.29 C ATOM 2283 CD2 LEU A 148 6.176 -3.100 6.239 1.00 1.34 C ATOM 0 H LEU A 148 6.869 0.898 7.722 1.00 0.53 H new ATOM 0 HA LEU A 148 8.294 -1.651 7.300 1.00 0.57 H new ATOM 0 HB2 LEU A 148 6.041 -0.381 6.165 1.00 0.59 H new ATOM 0 HB3 LEU A 148 7.279 -0.043 4.971 1.00 0.59 H new ATOM 0 HG LEU A 148 6.219 -2.100 4.308 1.00 0.70 H new ATOM 0 HD11 LEU A 148 8.080 -3.777 4.441 1.00 1.29 H new ATOM 0 HD12 LEU A 148 8.698 -2.146 4.087 1.00 1.29 H new ATOM 0 HD13 LEU A 148 8.840 -2.814 5.730 1.00 1.29 H new ATOM 0 HD21 LEU A 148 6.074 -4.101 5.820 1.00 1.34 H new ATOM 0 HD22 LEU A 148 6.793 -3.143 7.136 1.00 1.34 H new ATOM 0 HD23 LEU A 148 5.190 -2.712 6.495 1.00 1.34 H new ATOM 2295 N LEU A 149 10.194 0.568 7.130 1.00 0.67 N ATOM 2296 CA LEU A 149 11.477 1.135 6.585 1.00 0.57 C ATOM 2297 C LEU A 149 12.660 0.282 7.055 1.00 0.56 C ATOM 2298 O LEU A 149 13.402 -0.251 6.257 1.00 0.58 O ATOM 2299 CB LEU A 149 11.637 2.581 7.060 1.00 0.54 C ATOM 2300 CG LEU A 149 12.791 3.270 6.314 1.00 0.59 C ATOM 2301 CD1 LEU A 149 12.427 3.494 4.832 1.00 0.83 C ATOM 2302 CD2 LEU A 149 13.071 4.619 6.987 1.00 1.21 C ATOM 0 H LEU A 149 10.029 0.737 8.122 1.00 0.67 H new ATOM 0 HA LEU A 149 11.450 1.122 5.495 1.00 0.57 H new ATOM 0 HB2 LEU A 149 10.710 3.129 6.893 1.00 0.54 H new ATOM 0 HB3 LEU A 149 11.829 2.598 8.133 1.00 0.54 H new ATOM 0 HG LEU A 149 13.676 2.635 6.354 1.00 0.59 H new ATOM 0 HD11 LEU A 149 13.258 3.983 4.323 1.00 0.83 H new ATOM 0 HD12 LEU A 149 12.225 2.534 4.358 1.00 0.83 H new ATOM 0 HD13 LEU A 149 11.540 4.124 4.766 1.00 0.83 H new ATOM 0 HD21 LEU A 149 13.888 5.121 6.469 1.00 1.21 H new ATOM 0 HD22 LEU A 149 12.177 5.240 6.942 1.00 1.21 H new ATOM 0 HD23 LEU A 149 13.348 4.456 8.029 1.00 1.21 H new ATOM 2314 N GLY A 150 12.855 0.151 8.332 1.00 0.56 N ATOM 2315 CA GLY A 150 14.004 -0.663 8.828 1.00 0.58 C ATOM 2316 C GLY A 150 13.932 -2.093 8.270 1.00 0.62 C ATOM 2317 O GLY A 150 14.941 -2.754 8.108 1.00 0.70 O ATOM 0 H GLY A 150 12.272 0.570 9.057 1.00 0.56 H new ATOM 0 HA2 GLY A 150 14.943 -0.197 8.530 1.00 0.58 H new ATOM 0 HA3 GLY A 150 13.994 -0.691 9.918 1.00 0.58 H new ATOM 2321 N TRP A 151 12.754 -2.588 7.991 1.00 0.63 N ATOM 2322 CA TRP A 151 12.632 -3.987 7.467 1.00 0.69 C ATOM 2323 C TRP A 151 12.827 -4.023 5.943 1.00 0.70 C ATOM 2324 O TRP A 151 13.338 -4.988 5.409 1.00 0.72 O ATOM 2325 CB TRP A 151 11.238 -4.542 7.821 1.00 0.73 C ATOM 2326 CG TRP A 151 11.260 -5.162 9.185 1.00 1.25 C ATOM 2327 CD1 TRP A 151 11.281 -4.477 10.350 1.00 2.17 C ATOM 2328 CD2 TRP A 151 11.269 -6.575 9.540 1.00 1.86 C ATOM 2329 NE1 TRP A 151 11.295 -5.380 11.399 1.00 2.65 N ATOM 2330 CE2 TRP A 151 11.290 -6.685 10.950 1.00 2.43 C ATOM 2331 CE3 TRP A 151 11.259 -7.760 8.781 1.00 2.68 C ATOM 2332 CZ2 TRP A 151 11.300 -7.928 11.586 1.00 3.17 C ATOM 2333 CZ3 TRP A 151 11.270 -9.011 9.418 1.00 3.62 C ATOM 2334 CH2 TRP A 151 11.291 -9.095 10.817 1.00 3.67 C ATOM 0 H TRP A 151 11.872 -2.088 8.102 1.00 0.63 H new ATOM 0 HA TRP A 151 13.408 -4.600 7.927 1.00 0.69 H new ATOM 0 HB2 TRP A 151 10.500 -3.740 7.790 1.00 0.73 H new ATOM 0 HB3 TRP A 151 10.935 -5.283 7.081 1.00 0.73 H new ATOM 0 HD1 TRP A 151 11.286 -3.401 10.447 1.00 2.17 H new ATOM 0 HE1 TRP A 151 11.307 -5.113 12.383 1.00 2.65 H new ATOM 0 HE3 TRP A 151 11.243 -7.707 7.702 1.00 2.68 H new ATOM 0 HZ2 TRP A 151 11.315 -7.987 12.664 1.00 3.17 H new ATOM 0 HZ3 TRP A 151 11.262 -9.914 8.826 1.00 3.62 H new ATOM 0 HH2 TRP A 151 11.300 -10.061 11.300 1.00 3.67 H new ATOM 2345 N ILE A 152 12.422 -3.007 5.230 1.00 0.73 N ATOM 2346 CA ILE A 152 12.599 -3.054 3.749 1.00 0.76 C ATOM 2347 C ILE A 152 14.103 -3.075 3.449 1.00 0.79 C ATOM 2348 O ILE A 152 14.558 -3.651 2.481 1.00 0.89 O ATOM 2349 CB ILE A 152 11.913 -1.825 3.108 1.00 0.78 C ATOM 2350 CG1 ILE A 152 11.401 -2.165 1.705 1.00 0.83 C ATOM 2351 CG2 ILE A 152 12.885 -0.644 3.021 1.00 0.92 C ATOM 2352 CD1 ILE A 152 10.621 -0.969 1.153 1.00 0.94 C ATOM 0 H ILE A 152 11.985 -2.162 5.598 1.00 0.73 H new ATOM 0 HA ILE A 152 12.139 -3.948 3.328 1.00 0.76 H new ATOM 0 HB ILE A 152 11.070 -1.547 3.741 1.00 0.78 H new ATOM 0 HG12 ILE A 152 12.237 -2.405 1.048 1.00 0.83 H new ATOM 0 HG13 ILE A 152 10.761 -3.047 1.742 1.00 0.83 H new ATOM 0 HG21 ILE A 152 12.381 0.209 2.567 1.00 0.92 H new ATOM 0 HG22 ILE A 152 13.222 -0.376 4.022 1.00 0.92 H new ATOM 0 HG23 ILE A 152 13.744 -0.924 2.412 1.00 0.92 H new ATOM 0 HD11 ILE A 152 10.253 -1.204 0.154 1.00 0.94 H new ATOM 0 HD12 ILE A 152 9.778 -0.751 1.808 1.00 0.94 H new ATOM 0 HD13 ILE A 152 11.276 -0.099 1.103 1.00 0.94 H new ATOM 2364 N GLN A 153 14.866 -2.449 4.306 1.00 0.77 N ATOM 2365 CA GLN A 153 16.343 -2.415 4.132 1.00 0.80 C ATOM 2366 C GLN A 153 16.899 -3.815 4.410 1.00 0.81 C ATOM 2367 O GLN A 153 17.738 -4.311 3.686 1.00 0.82 O ATOM 2368 CB GLN A 153 16.953 -1.408 5.128 1.00 0.82 C ATOM 2369 CG GLN A 153 17.205 -0.044 4.462 1.00 1.09 C ATOM 2370 CD GLN A 153 17.287 1.037 5.546 1.00 1.98 C ATOM 2371 OE1 GLN A 153 16.289 1.400 6.136 1.00 2.66 O ATOM 2372 NE2 GLN A 153 18.444 1.569 5.831 1.00 2.77 N ATOM 0 H GLN A 153 14.521 -1.954 5.129 1.00 0.77 H new ATOM 0 HA GLN A 153 16.595 -2.110 3.116 1.00 0.80 H new ATOM 0 HB2 GLN A 153 16.282 -1.282 5.977 1.00 0.82 H new ATOM 0 HB3 GLN A 153 17.891 -1.803 5.519 1.00 0.82 H new ATOM 0 HG2 GLN A 153 18.131 -0.071 3.888 1.00 1.09 H new ATOM 0 HG3 GLN A 153 16.402 0.186 3.761 1.00 1.09 H new ATOM 0 HE21 GLN A 153 19.282 1.264 5.335 1.00 2.77 H new ATOM 0 HE22 GLN A 153 18.511 2.290 6.549 1.00 2.77 H new ATOM 2381 N ASP A 154 16.462 -4.448 5.468 1.00 0.83 N ATOM 2382 CA ASP A 154 17.010 -5.797 5.774 1.00 0.86 C ATOM 2383 C ASP A 154 16.697 -6.730 4.605 1.00 0.85 C ATOM 2384 O ASP A 154 17.406 -7.681 4.345 1.00 0.94 O ATOM 2385 CB ASP A 154 16.394 -6.333 7.069 1.00 0.90 C ATOM 2386 CG ASP A 154 16.985 -7.708 7.387 1.00 1.28 C ATOM 2387 OD1 ASP A 154 18.180 -7.873 7.208 1.00 1.84 O ATOM 2388 OD2 ASP A 154 16.231 -8.572 7.805 1.00 1.99 O ATOM 0 H ASP A 154 15.762 -4.095 6.121 1.00 0.83 H new ATOM 0 HA ASP A 154 18.090 -5.737 5.912 1.00 0.86 H new ATOM 0 HB2 ASP A 154 16.590 -5.643 7.890 1.00 0.90 H new ATOM 0 HB3 ASP A 154 15.311 -6.406 6.966 1.00 0.90 H new ATOM 2393 N GLN A 155 15.644 -6.448 3.886 1.00 0.79 N ATOM 2394 CA GLN A 155 15.281 -7.294 2.716 1.00 0.79 C ATOM 2395 C GLN A 155 16.128 -6.860 1.514 1.00 0.72 C ATOM 2396 O GLN A 155 16.735 -7.666 0.837 1.00 1.03 O ATOM 2397 CB GLN A 155 13.781 -7.106 2.408 1.00 0.90 C ATOM 2398 CG GLN A 155 13.195 -8.396 1.819 1.00 1.37 C ATOM 2399 CD GLN A 155 13.043 -9.437 2.930 1.00 2.01 C ATOM 2400 OE1 GLN A 155 12.438 -9.171 3.949 1.00 2.72 O ATOM 2401 NE2 GLN A 155 13.571 -10.621 2.777 1.00 2.54 N ATOM 0 H GLN A 155 15.017 -5.663 4.061 1.00 0.79 H new ATOM 0 HA GLN A 155 15.471 -8.346 2.930 1.00 0.79 H new ATOM 0 HB2 GLN A 155 13.246 -6.838 3.319 1.00 0.90 H new ATOM 0 HB3 GLN A 155 13.647 -6.283 1.706 1.00 0.90 H new ATOM 0 HG2 GLN A 155 12.227 -8.193 1.361 1.00 1.37 H new ATOM 0 HG3 GLN A 155 13.846 -8.779 1.033 1.00 1.37 H new ATOM 0 HE21 GLN A 155 14.079 -10.846 1.922 1.00 2.54 H new ATOM 0 HE22 GLN A 155 13.475 -11.321 3.513 1.00 2.54 H new ATOM 2410 N GLY A 156 16.168 -5.577 1.257 1.00 0.63 N ATOM 2411 CA GLY A 156 16.969 -5.050 0.113 1.00 0.72 C ATOM 2412 C GLY A 156 16.274 -3.814 -0.466 1.00 0.87 C ATOM 2413 O GLY A 156 16.888 -2.784 -0.662 1.00 1.38 O ATOM 0 H GLY A 156 15.675 -4.866 1.797 1.00 0.63 H new ATOM 0 HA2 GLY A 156 17.975 -4.793 0.446 1.00 0.72 H new ATOM 0 HA3 GLY A 156 17.074 -5.816 -0.656 1.00 0.72 H new ATOM 2417 N GLY A 157 15.005 -3.909 -0.759 1.00 0.81 N ATOM 2418 CA GLY A 157 14.281 -2.746 -1.342 1.00 1.10 C ATOM 2419 C GLY A 157 13.061 -3.250 -2.123 1.00 0.84 C ATOM 2420 O GLY A 157 12.450 -4.240 -1.773 1.00 0.88 O ATOM 0 H GLY A 157 14.438 -4.745 -0.619 1.00 0.81 H new ATOM 0 HA2 GLY A 157 13.965 -2.065 -0.551 1.00 1.10 H new ATOM 0 HA3 GLY A 157 14.943 -2.184 -2.001 1.00 1.10 H new ATOM 2424 N TRP A 158 12.680 -2.538 -3.148 1.00 0.67 N ATOM 2425 CA TRP A 158 11.469 -2.927 -3.933 1.00 0.50 C ATOM 2426 C TRP A 158 11.746 -4.140 -4.838 1.00 0.51 C ATOM 2427 O TRP A 158 10.833 -4.702 -5.433 1.00 0.53 O ATOM 2428 CB TRP A 158 11.027 -1.740 -4.786 1.00 0.51 C ATOM 2429 CG TRP A 158 10.766 -0.568 -3.893 1.00 0.46 C ATOM 2430 CD1 TRP A 158 11.697 0.331 -3.502 1.00 0.59 C ATOM 2431 CD2 TRP A 158 9.513 -0.155 -3.270 1.00 0.46 C ATOM 2432 NE1 TRP A 158 11.096 1.268 -2.681 1.00 0.55 N ATOM 2433 CE2 TRP A 158 9.752 1.013 -2.509 1.00 0.47 C ATOM 2434 CE3 TRP A 158 8.207 -0.674 -3.293 1.00 0.65 C ATOM 2435 CZ2 TRP A 158 8.732 1.643 -1.795 1.00 0.58 C ATOM 2436 CZ3 TRP A 158 7.177 -0.043 -2.575 1.00 0.84 C ATOM 2437 CH2 TRP A 158 7.439 1.113 -1.828 1.00 0.78 C ATOM 0 H TRP A 158 13.156 -1.699 -3.479 1.00 0.67 H new ATOM 0 HA TRP A 158 10.681 -3.207 -3.234 1.00 0.50 H new ATOM 0 HB2 TRP A 158 11.798 -1.493 -5.516 1.00 0.51 H new ATOM 0 HB3 TRP A 158 10.127 -1.994 -5.347 1.00 0.51 H new ATOM 0 HD1 TRP A 158 12.739 0.319 -3.784 1.00 0.59 H new ATOM 0 HE1 TRP A 158 11.588 2.053 -2.254 1.00 0.55 H new ATOM 0 HE3 TRP A 158 7.994 -1.564 -3.866 1.00 0.65 H new ATOM 0 HZ2 TRP A 158 8.940 2.534 -1.221 1.00 0.58 H new ATOM 0 HZ3 TRP A 158 6.178 -0.452 -2.599 1.00 0.84 H new ATOM 0 HH2 TRP A 158 6.643 1.594 -1.279 1.00 0.78 H new ATOM 2448 N ASP A 159 12.968 -4.572 -4.979 1.00 0.50 N ATOM 2449 CA ASP A 159 13.194 -5.741 -5.869 1.00 0.51 C ATOM 2450 C ASP A 159 12.561 -6.967 -5.209 1.00 0.51 C ATOM 2451 O ASP A 159 12.022 -7.834 -5.868 1.00 0.51 O ATOM 2452 CB ASP A 159 14.695 -5.956 -6.076 1.00 0.54 C ATOM 2453 CG ASP A 159 15.317 -4.678 -6.643 1.00 1.66 C ATOM 2454 OD1 ASP A 159 15.051 -4.373 -7.794 1.00 2.46 O ATOM 2455 OD2 ASP A 159 16.047 -4.025 -5.915 1.00 2.37 O ATOM 0 H ASP A 159 13.796 -4.180 -4.531 1.00 0.50 H new ATOM 0 HA ASP A 159 12.741 -5.571 -6.846 1.00 0.51 H new ATOM 0 HB2 ASP A 159 15.170 -6.217 -5.130 1.00 0.54 H new ATOM 0 HB3 ASP A 159 14.864 -6.789 -6.758 1.00 0.54 H new ATOM 2460 N GLY A 160 12.612 -7.030 -3.905 1.00 0.52 N ATOM 2461 CA GLY A 160 12.000 -8.182 -3.184 1.00 0.54 C ATOM 2462 C GLY A 160 10.543 -8.323 -3.623 1.00 0.53 C ATOM 2463 O GLY A 160 9.993 -9.407 -3.638 1.00 0.54 O ATOM 0 H GLY A 160 13.053 -6.331 -3.307 1.00 0.52 H new ATOM 0 HA2 GLY A 160 12.550 -9.098 -3.402 1.00 0.54 H new ATOM 0 HA3 GLY A 160 12.056 -8.025 -2.107 1.00 0.54 H new ATOM 2467 N LEU A 161 9.917 -7.245 -4.005 1.00 0.54 N ATOM 2468 CA LEU A 161 8.507 -7.336 -4.466 1.00 0.56 C ATOM 2469 C LEU A 161 8.475 -8.158 -5.748 1.00 0.56 C ATOM 2470 O LEU A 161 7.822 -9.179 -5.834 1.00 0.62 O ATOM 2471 CB LEU A 161 7.956 -5.904 -4.734 1.00 0.58 C ATOM 2472 CG LEU A 161 6.843 -5.564 -3.712 1.00 0.74 C ATOM 2473 CD1 LEU A 161 7.462 -5.341 -2.327 1.00 1.63 C ATOM 2474 CD2 LEU A 161 6.109 -4.297 -4.144 1.00 1.56 C ATOM 0 H LEU A 161 10.321 -6.308 -4.017 1.00 0.54 H new ATOM 0 HA LEU A 161 7.887 -7.812 -3.706 1.00 0.56 H new ATOM 0 HB2 LEU A 161 8.763 -5.175 -4.661 1.00 0.58 H new ATOM 0 HB3 LEU A 161 7.561 -5.841 -5.748 1.00 0.58 H new ATOM 0 HG LEU A 161 6.138 -6.394 -3.669 1.00 0.74 H new ATOM 0 HD11 LEU A 161 6.676 -5.102 -1.611 1.00 1.63 H new ATOM 0 HD12 LEU A 161 7.979 -6.247 -2.009 1.00 1.63 H new ATOM 0 HD13 LEU A 161 8.172 -4.516 -2.375 1.00 1.63 H new ATOM 0 HD21 LEU A 161 5.328 -4.064 -3.420 1.00 1.56 H new ATOM 0 HD22 LEU A 161 6.814 -3.468 -4.196 1.00 1.56 H new ATOM 0 HD23 LEU A 161 5.660 -4.453 -5.125 1.00 1.56 H new ATOM 2486 N LEU A 162 9.198 -7.720 -6.759 1.00 0.53 N ATOM 2487 CA LEU A 162 9.237 -8.467 -8.047 1.00 0.56 C ATOM 2488 C LEU A 162 9.808 -9.871 -7.802 1.00 0.55 C ATOM 2489 O LEU A 162 9.333 -10.843 -8.355 1.00 0.57 O ATOM 2490 CB LEU A 162 10.155 -7.672 -9.014 1.00 0.61 C ATOM 2491 CG LEU A 162 9.643 -7.698 -10.466 1.00 0.80 C ATOM 2492 CD1 LEU A 162 9.450 -9.147 -10.934 1.00 1.56 C ATOM 2493 CD2 LEU A 162 8.329 -6.889 -10.602 1.00 1.33 C ATOM 0 H LEU A 162 9.763 -6.871 -6.739 1.00 0.53 H new ATOM 0 HA LEU A 162 8.240 -8.573 -8.474 1.00 0.56 H new ATOM 0 HB2 LEU A 162 10.226 -6.638 -8.675 1.00 0.61 H new ATOM 0 HB3 LEU A 162 11.162 -8.089 -8.979 1.00 0.61 H new ATOM 0 HG LEU A 162 10.389 -7.227 -11.106 1.00 0.80 H new ATOM 0 HD11 LEU A 162 9.088 -9.152 -11.962 1.00 1.56 H new ATOM 0 HD12 LEU A 162 10.402 -9.676 -10.882 1.00 1.56 H new ATOM 0 HD13 LEU A 162 8.723 -9.643 -10.291 1.00 1.56 H new ATOM 0 HD21 LEU A 162 7.987 -6.922 -11.636 1.00 1.33 H new ATOM 0 HD22 LEU A 162 7.567 -7.321 -9.954 1.00 1.33 H new ATOM 0 HD23 LEU A 162 8.507 -5.854 -10.312 1.00 1.33 H new ATOM 2505 N SER A 163 10.832 -9.989 -7.005 1.00 0.54 N ATOM 2506 CA SER A 163 11.421 -11.336 -6.769 1.00 0.56 C ATOM 2507 C SER A 163 10.355 -12.272 -6.192 1.00 0.53 C ATOM 2508 O SER A 163 10.368 -13.467 -6.409 1.00 0.60 O ATOM 2509 CB SER A 163 12.572 -11.214 -5.774 1.00 0.63 C ATOM 2510 OG SER A 163 13.481 -10.221 -6.231 1.00 1.32 O ATOM 0 H SER A 163 11.283 -9.219 -6.511 1.00 0.54 H new ATOM 0 HA SER A 163 11.787 -11.741 -7.713 1.00 0.56 H new ATOM 0 HB2 SER A 163 12.190 -10.948 -4.788 1.00 0.63 H new ATOM 0 HB3 SER A 163 13.082 -12.172 -5.671 1.00 0.63 H new ATOM 0 HG SER A 163 13.106 -9.332 -6.061 1.00 1.32 H new ATOM 2516 N TYR A 164 9.434 -11.719 -5.442 1.00 0.59 N ATOM 2517 CA TYR A 164 8.358 -12.544 -4.821 1.00 0.64 C ATOM 2518 C TYR A 164 7.271 -12.827 -5.856 1.00 0.63 C ATOM 2519 O TYR A 164 6.696 -13.897 -5.888 1.00 0.68 O ATOM 2520 CB TYR A 164 7.751 -11.772 -3.643 1.00 0.69 C ATOM 2521 CG TYR A 164 6.624 -12.573 -3.023 1.00 0.72 C ATOM 2522 CD1 TYR A 164 6.898 -13.796 -2.399 1.00 1.34 C ATOM 2523 CD2 TYR A 164 5.306 -12.091 -3.065 1.00 1.50 C ATOM 2524 CE1 TYR A 164 5.860 -14.537 -1.820 1.00 1.35 C ATOM 2525 CE2 TYR A 164 4.269 -12.833 -2.485 1.00 1.57 C ATOM 2526 CZ TYR A 164 4.546 -14.056 -1.863 1.00 0.87 C ATOM 2527 OH TYR A 164 3.524 -14.787 -1.292 1.00 0.97 O ATOM 0 H TYR A 164 9.383 -10.722 -5.233 1.00 0.59 H new ATOM 0 HA TYR A 164 8.776 -13.487 -4.468 1.00 0.64 H new ATOM 0 HB2 TYR A 164 8.519 -11.570 -2.896 1.00 0.69 H new ATOM 0 HB3 TYR A 164 7.377 -10.807 -3.984 1.00 0.69 H new ATOM 0 HD1 TYR A 164 7.911 -14.169 -2.364 1.00 1.34 H new ATOM 0 HD2 TYR A 164 5.091 -11.148 -3.545 1.00 1.50 H new ATOM 0 HE1 TYR A 164 6.074 -15.481 -1.340 1.00 1.35 H new ATOM 0 HE2 TYR A 164 3.255 -12.461 -2.518 1.00 1.57 H new ATOM 0 HH TYR A 164 2.676 -14.310 -1.409 1.00 0.97 H new ATOM 2537 N PHE A 165 6.980 -11.878 -6.701 1.00 0.64 N ATOM 2538 CA PHE A 165 5.927 -12.100 -7.729 1.00 0.72 C ATOM 2539 C PHE A 165 6.498 -12.943 -8.875 1.00 0.82 C ATOM 2540 O PHE A 165 6.603 -12.495 -9.999 1.00 1.56 O ATOM 2541 CB PHE A 165 5.428 -10.742 -8.262 1.00 0.74 C ATOM 2542 CG PHE A 165 4.271 -10.253 -7.415 1.00 0.84 C ATOM 2543 CD1 PHE A 165 3.018 -10.868 -7.531 1.00 1.65 C ATOM 2544 CD2 PHE A 165 4.450 -9.194 -6.517 1.00 1.42 C ATOM 2545 CE1 PHE A 165 1.945 -10.425 -6.750 1.00 1.96 C ATOM 2546 CE2 PHE A 165 3.376 -8.750 -5.736 1.00 1.71 C ATOM 2547 CZ PHE A 165 2.123 -9.366 -5.853 1.00 1.66 C ATOM 0 H PHE A 165 7.425 -10.960 -6.724 1.00 0.64 H new ATOM 0 HA PHE A 165 5.088 -12.633 -7.282 1.00 0.72 H new ATOM 0 HB2 PHE A 165 6.238 -10.013 -8.243 1.00 0.74 H new ATOM 0 HB3 PHE A 165 5.114 -10.842 -9.301 1.00 0.74 H new ATOM 0 HD1 PHE A 165 2.880 -11.685 -8.224 1.00 1.65 H new ATOM 0 HD2 PHE A 165 5.416 -8.720 -6.427 1.00 1.42 H new ATOM 0 HE1 PHE A 165 0.979 -10.900 -6.839 1.00 1.96 H new ATOM 0 HE2 PHE A 165 3.513 -7.933 -5.043 1.00 1.71 H new ATOM 0 HZ PHE A 165 1.295 -9.023 -5.251 1.00 1.66 H new ATOM 2557 N GLY A 166 6.885 -14.158 -8.592 1.00 0.94 N ATOM 2558 CA GLY A 166 7.463 -15.031 -9.656 1.00 1.01 C ATOM 2559 C GLY A 166 7.080 -16.488 -9.392 1.00 1.23 C ATOM 2560 O GLY A 166 7.888 -17.384 -9.543 1.00 1.85 O ATOM 0 H GLY A 166 6.826 -14.585 -7.668 1.00 0.94 H new ATOM 0 HA2 GLY A 166 7.096 -14.720 -10.634 1.00 1.01 H new ATOM 0 HA3 GLY A 166 8.548 -14.928 -9.675 1.00 1.01 H new ATOM 2606 N TRP A 170 -1.407 -17.810 -9.348 1.00 1.04 N ATOM 2607 CA TRP A 170 -1.516 -16.552 -8.556 1.00 1.01 C ATOM 2608 C TRP A 170 -2.791 -16.592 -7.711 1.00 0.92 C ATOM 2609 O TRP A 170 -3.045 -15.714 -6.910 1.00 0.95 O ATOM 2610 CB TRP A 170 -1.572 -15.354 -9.507 1.00 1.32 C ATOM 2611 CG TRP A 170 -0.422 -15.421 -10.461 1.00 1.70 C ATOM 2612 CD1 TRP A 170 0.880 -15.504 -10.104 1.00 2.30 C ATOM 2613 CD2 TRP A 170 -0.447 -15.411 -11.918 1.00 2.52 C ATOM 2614 NE1 TRP A 170 1.656 -15.546 -11.248 1.00 3.04 N ATOM 2615 CE2 TRP A 170 0.884 -15.492 -12.392 1.00 3.15 C ATOM 2616 CE3 TRP A 170 -1.485 -15.342 -12.865 1.00 3.32 C ATOM 2617 CZ2 TRP A 170 1.175 -15.502 -13.756 1.00 4.11 C ATOM 2618 CZ3 TRP A 170 -1.195 -15.352 -14.240 1.00 4.37 C ATOM 2619 CH2 TRP A 170 0.132 -15.432 -14.684 1.00 4.64 C ATOM 0 HA TRP A 170 -0.649 -16.457 -7.902 1.00 1.01 H new ATOM 0 HB2 TRP A 170 -2.514 -15.355 -10.055 1.00 1.32 H new ATOM 0 HB3 TRP A 170 -1.534 -14.424 -8.940 1.00 1.32 H new ATOM 0 HD1 TRP A 170 1.253 -15.533 -9.091 1.00 2.30 H new ATOM 0 HE1 TRP A 170 2.674 -15.609 -11.247 1.00 3.04 H new ATOM 0 HE3 TRP A 170 -2.511 -15.281 -12.533 1.00 3.32 H new ATOM 0 HZ2 TRP A 170 2.199 -15.563 -14.093 1.00 4.11 H new ATOM 0 HZ3 TRP A 170 -1.999 -15.298 -14.959 1.00 4.37 H new ATOM 0 HH2 TRP A 170 0.348 -15.440 -15.742 1.00 4.64 H new ATOM 2630 N GLN A 171 -3.596 -17.605 -7.883 1.00 0.88 N ATOM 2631 CA GLN A 171 -4.855 -17.702 -7.090 1.00 0.84 C ATOM 2632 C GLN A 171 -4.517 -17.814 -5.600 1.00 0.75 C ATOM 2633 O GLN A 171 -5.328 -17.502 -4.751 1.00 0.75 O ATOM 2634 CB GLN A 171 -5.645 -18.935 -7.540 1.00 0.88 C ATOM 2635 CG GLN A 171 -7.024 -18.936 -6.878 1.00 1.57 C ATOM 2636 CD GLN A 171 -7.831 -20.133 -7.385 1.00 1.93 C ATOM 2637 OE1 GLN A 171 -8.102 -20.242 -8.564 1.00 2.66 O ATOM 2638 NE2 GLN A 171 -8.227 -21.043 -6.538 1.00 2.34 N ATOM 0 H GLN A 171 -3.436 -18.370 -8.539 1.00 0.88 H new ATOM 0 HA GLN A 171 -5.459 -16.809 -7.252 1.00 0.84 H new ATOM 0 HB2 GLN A 171 -5.752 -18.934 -8.625 1.00 0.88 H new ATOM 0 HB3 GLN A 171 -5.103 -19.843 -7.274 1.00 0.88 H new ATOM 0 HG2 GLN A 171 -6.919 -18.987 -5.794 1.00 1.57 H new ATOM 0 HG3 GLN A 171 -7.549 -18.008 -7.104 1.00 1.57 H new ATOM 0 HE21 GLN A 171 -8.000 -20.952 -5.548 1.00 2.34 H new ATOM 0 HE22 GLN A 171 -8.764 -21.846 -6.866 1.00 2.34 H new ATOM 2647 N THR A 172 -3.326 -18.236 -5.268 1.00 0.67 N ATOM 2648 CA THR A 172 -2.955 -18.336 -3.824 1.00 0.60 C ATOM 2649 C THR A 172 -2.591 -16.932 -3.314 1.00 0.59 C ATOM 2650 O THR A 172 -2.678 -16.655 -2.133 1.00 0.74 O ATOM 2651 CB THR A 172 -1.755 -19.287 -3.662 1.00 0.59 C ATOM 2652 OG1 THR A 172 -2.203 -20.631 -3.766 1.00 0.81 O ATOM 2653 CG2 THR A 172 -1.102 -19.069 -2.291 1.00 0.92 C ATOM 0 H THR A 172 -2.599 -18.514 -5.927 1.00 0.67 H new ATOM 0 HA THR A 172 -3.791 -18.731 -3.247 1.00 0.60 H new ATOM 0 HB THR A 172 -1.023 -19.083 -4.444 1.00 0.59 H new ATOM 0 HG1 THR A 172 -1.441 -21.239 -3.665 1.00 0.81 H new ATOM 0 HG21 THR A 172 -0.253 -19.744 -2.181 1.00 0.92 H new ATOM 0 HG22 THR A 172 -0.758 -18.038 -2.212 1.00 0.92 H new ATOM 0 HG23 THR A 172 -1.830 -19.270 -1.505 1.00 0.92 H new ATOM 2661 N VAL A 173 -2.215 -16.037 -4.182 1.00 0.59 N ATOM 2662 CA VAL A 173 -1.877 -14.657 -3.731 1.00 0.58 C ATOM 2663 C VAL A 173 -3.166 -13.837 -3.648 1.00 0.57 C ATOM 2664 O VAL A 173 -3.329 -13.019 -2.764 1.00 0.60 O ATOM 2665 CB VAL A 173 -0.913 -14.023 -4.740 1.00 0.64 C ATOM 2666 CG1 VAL A 173 -0.740 -12.533 -4.437 1.00 1.13 C ATOM 2667 CG2 VAL A 173 0.447 -14.721 -4.646 1.00 1.01 C ATOM 0 H VAL A 173 -2.127 -16.200 -5.185 1.00 0.59 H new ATOM 0 HA VAL A 173 -1.401 -14.683 -2.751 1.00 0.58 H new ATOM 0 HB VAL A 173 -1.320 -14.137 -5.745 1.00 0.64 H new ATOM 0 HG11 VAL A 173 -0.053 -12.092 -5.160 1.00 1.13 H new ATOM 0 HG12 VAL A 173 -1.707 -12.034 -4.504 1.00 1.13 H new ATOM 0 HG13 VAL A 173 -0.337 -12.411 -3.432 1.00 1.13 H new ATOM 0 HG21 VAL A 173 1.136 -14.273 -5.362 1.00 1.01 H new ATOM 0 HG22 VAL A 173 0.846 -14.606 -3.638 1.00 1.01 H new ATOM 0 HG23 VAL A 173 0.328 -15.781 -4.871 1.00 1.01 H new ATOM 2677 N THR A 174 -4.093 -14.057 -4.532 1.00 0.55 N ATOM 2678 CA THR A 174 -5.369 -13.293 -4.456 1.00 0.56 C ATOM 2679 C THR A 174 -6.069 -13.653 -3.141 1.00 0.53 C ATOM 2680 O THR A 174 -6.684 -12.818 -2.508 1.00 0.55 O ATOM 2681 CB THR A 174 -6.263 -13.681 -5.636 1.00 0.59 C ATOM 2682 OG1 THR A 174 -6.300 -15.097 -5.752 1.00 1.37 O ATOM 2683 CG2 THR A 174 -5.702 -13.077 -6.924 1.00 1.27 C ATOM 0 H THR A 174 -4.026 -14.726 -5.299 1.00 0.55 H new ATOM 0 HA THR A 174 -5.172 -12.222 -4.494 1.00 0.56 H new ATOM 0 HB THR A 174 -7.271 -13.302 -5.469 1.00 0.59 H new ATOM 0 HG1 THR A 174 -6.873 -15.349 -6.506 1.00 1.37 H new ATOM 0 HG21 THR A 174 -6.340 -13.354 -7.764 1.00 1.27 H new ATOM 0 HG22 THR A 174 -5.672 -11.991 -6.834 1.00 1.27 H new ATOM 0 HG23 THR A 174 -4.694 -13.455 -7.094 1.00 1.27 H new ATOM 2691 N ILE A 175 -5.981 -14.886 -2.728 1.00 0.51 N ATOM 2692 CA ILE A 175 -6.641 -15.305 -1.455 1.00 0.50 C ATOM 2693 C ILE A 175 -5.770 -14.877 -0.268 1.00 0.49 C ATOM 2694 O ILE A 175 -6.230 -14.782 0.853 1.00 0.49 O ATOM 2695 CB ILE A 175 -6.772 -16.828 -1.468 1.00 0.52 C ATOM 2696 CG1 ILE A 175 -7.666 -17.253 -2.633 1.00 0.77 C ATOM 2697 CG2 ILE A 175 -7.370 -17.341 -0.155 1.00 0.87 C ATOM 2698 CD1 ILE A 175 -7.553 -18.766 -2.825 1.00 0.89 C ATOM 0 H ILE A 175 -5.479 -15.627 -3.218 1.00 0.51 H new ATOM 0 HA ILE A 175 -7.623 -14.841 -1.363 1.00 0.50 H new ATOM 0 HB ILE A 175 -5.777 -17.257 -1.584 1.00 0.52 H new ATOM 0 HG12 ILE A 175 -8.701 -16.976 -2.433 1.00 0.77 H new ATOM 0 HG13 ILE A 175 -7.367 -16.735 -3.544 1.00 0.77 H new ATOM 0 HG21 ILE A 175 -7.452 -18.427 -0.192 1.00 0.87 H new ATOM 0 HG22 ILE A 175 -6.725 -17.054 0.675 1.00 0.87 H new ATOM 0 HG23 ILE A 175 -8.360 -16.907 -0.012 1.00 0.87 H new ATOM 0 HD11 ILE A 175 -8.188 -19.076 -3.655 1.00 0.89 H new ATOM 0 HD12 ILE A 175 -6.518 -19.029 -3.043 1.00 0.89 H new ATOM 0 HD13 ILE A 175 -7.872 -19.273 -1.914 1.00 0.89 H new ATOM 2710 N PHE A 176 -4.518 -14.604 -0.515 1.00 0.48 N ATOM 2711 CA PHE A 176 -3.605 -14.165 0.582 1.00 0.49 C ATOM 2712 C PHE A 176 -3.962 -12.733 1.003 1.00 0.49 C ATOM 2713 O PHE A 176 -4.300 -12.484 2.143 1.00 0.56 O ATOM 2714 CB PHE A 176 -2.168 -14.186 0.054 1.00 0.51 C ATOM 2715 CG PHE A 176 -1.205 -13.973 1.195 1.00 0.51 C ATOM 2716 CD1 PHE A 176 -0.727 -15.070 1.922 1.00 1.41 C ATOM 2717 CD2 PHE A 176 -0.786 -12.679 1.523 1.00 1.23 C ATOM 2718 CE1 PHE A 176 0.169 -14.871 2.979 1.00 1.52 C ATOM 2719 CE2 PHE A 176 0.110 -12.480 2.580 1.00 1.22 C ATOM 2720 CZ PHE A 176 0.587 -13.576 3.308 1.00 0.76 C ATOM 0 H PHE A 176 -4.084 -14.666 -1.436 1.00 0.48 H new ATOM 0 HA PHE A 176 -3.706 -14.831 1.439 1.00 0.49 H new ATOM 0 HB2 PHE A 176 -1.963 -15.139 -0.434 1.00 0.51 H new ATOM 0 HB3 PHE A 176 -2.035 -13.408 -0.697 1.00 0.51 H new ATOM 0 HD1 PHE A 176 -1.049 -16.069 1.668 1.00 1.41 H new ATOM 0 HD2 PHE A 176 -1.154 -11.834 0.961 1.00 1.23 H new ATOM 0 HE1 PHE A 176 0.538 -15.717 3.541 1.00 1.52 H new ATOM 0 HE2 PHE A 176 0.433 -11.481 2.834 1.00 1.22 H new ATOM 0 HZ PHE A 176 1.278 -13.423 4.124 1.00 0.76 H new ATOM 2730 N VAL A 177 -3.858 -11.786 0.112 1.00 0.46 N ATOM 2731 CA VAL A 177 -4.158 -10.371 0.490 1.00 0.48 C ATOM 2732 C VAL A 177 -5.669 -10.149 0.613 1.00 0.44 C ATOM 2733 O VAL A 177 -6.117 -9.367 1.429 1.00 0.57 O ATOM 2734 CB VAL A 177 -3.601 -9.434 -0.584 1.00 0.56 C ATOM 2735 CG1 VAL A 177 -2.084 -9.608 -0.684 1.00 1.20 C ATOM 2736 CG2 VAL A 177 -4.242 -9.772 -1.932 1.00 1.24 C ATOM 0 H VAL A 177 -3.579 -11.927 -0.859 1.00 0.46 H new ATOM 0 HA VAL A 177 -3.693 -10.162 1.454 1.00 0.48 H new ATOM 0 HB VAL A 177 -3.828 -8.402 -0.318 1.00 0.56 H new ATOM 0 HG11 VAL A 177 -1.691 -8.939 -1.450 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -1.626 -9.369 0.276 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -1.853 -10.640 -0.950 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -3.847 -9.106 -2.700 1.00 1.24 H new ATOM 0 HG22 VAL A 177 -4.013 -10.805 -2.195 1.00 1.24 H new ATOM 0 HG23 VAL A 177 -5.322 -9.646 -1.863 1.00 1.24 H new ATOM 2746 N ALA A 178 -6.461 -10.816 -0.176 1.00 0.45 N ATOM 2747 CA ALA A 178 -7.936 -10.616 -0.078 1.00 0.43 C ATOM 2748 C ALA A 178 -8.460 -11.228 1.225 1.00 0.40 C ATOM 2749 O ALA A 178 -9.124 -10.576 2.005 1.00 0.40 O ATOM 2750 CB ALA A 178 -8.624 -11.293 -1.263 1.00 0.46 C ATOM 0 H ALA A 178 -6.156 -11.487 -0.881 1.00 0.45 H new ATOM 0 HA ALA A 178 -8.151 -9.547 -0.088 1.00 0.43 H new ATOM 0 HB1 ALA A 178 -9.702 -11.146 -1.190 1.00 0.46 H new ATOM 0 HB2 ALA A 178 -8.260 -10.856 -2.193 1.00 0.46 H new ATOM 0 HB3 ALA A 178 -8.402 -12.360 -1.252 1.00 0.46 H new ATOM 2756 N GLY A 179 -8.171 -12.477 1.461 1.00 0.41 N ATOM 2757 CA GLY A 179 -8.658 -13.132 2.708 1.00 0.43 C ATOM 2758 C GLY A 179 -8.201 -12.333 3.928 1.00 0.43 C ATOM 2759 O GLY A 179 -8.878 -12.276 4.936 1.00 0.48 O ATOM 0 H GLY A 179 -7.619 -13.073 0.845 1.00 0.41 H new ATOM 0 HA2 GLY A 179 -9.746 -13.199 2.693 1.00 0.43 H new ATOM 0 HA3 GLY A 179 -8.277 -14.151 2.766 1.00 0.43 H new ATOM 2763 N VAL A 180 -7.050 -11.726 3.853 1.00 0.42 N ATOM 2764 CA VAL A 180 -6.548 -10.950 5.017 1.00 0.45 C ATOM 2765 C VAL A 180 -7.251 -9.592 5.113 1.00 0.45 C ATOM 2766 O VAL A 180 -7.528 -9.094 6.189 1.00 0.43 O ATOM 2767 CB VAL A 180 -5.032 -10.733 4.879 1.00 0.49 C ATOM 2768 CG1 VAL A 180 -4.542 -9.737 5.940 1.00 1.31 C ATOM 2769 CG2 VAL A 180 -4.308 -12.066 5.076 1.00 1.41 C ATOM 0 H VAL A 180 -6.437 -11.734 3.037 1.00 0.42 H new ATOM 0 HA VAL A 180 -6.760 -11.516 5.924 1.00 0.45 H new ATOM 0 HB VAL A 180 -4.821 -10.336 3.886 1.00 0.49 H new ATOM 0 HG11 VAL A 180 -3.467 -9.591 5.833 1.00 1.31 H new ATOM 0 HG12 VAL A 180 -5.053 -8.783 5.807 1.00 1.31 H new ATOM 0 HG13 VAL A 180 -4.758 -10.129 6.934 1.00 1.31 H new ATOM 0 HG21 VAL A 180 -3.233 -11.914 4.978 1.00 1.41 H new ATOM 0 HG22 VAL A 180 -4.531 -12.458 6.069 1.00 1.41 H new ATOM 0 HG23 VAL A 180 -4.644 -12.777 4.322 1.00 1.41 H new ATOM 2779 N LEU A 181 -7.523 -8.977 3.988 1.00 0.49 N ATOM 2780 CA LEU A 181 -8.179 -7.642 4.019 1.00 0.50 C ATOM 2781 C LEU A 181 -9.564 -7.781 4.656 1.00 0.49 C ATOM 2782 O LEU A 181 -10.013 -6.944 5.414 1.00 0.51 O ATOM 2783 CB LEU A 181 -8.329 -7.112 2.581 1.00 0.56 C ATOM 2784 CG LEU A 181 -7.011 -6.472 2.100 1.00 0.64 C ATOM 2785 CD1 LEU A 181 -6.957 -6.487 0.567 1.00 1.60 C ATOM 2786 CD2 LEU A 181 -6.926 -5.017 2.581 1.00 1.20 C ATOM 0 H LEU A 181 -7.319 -9.342 3.058 1.00 0.49 H new ATOM 0 HA LEU A 181 -7.573 -6.947 4.600 1.00 0.50 H new ATOM 0 HB2 LEU A 181 -8.609 -7.928 1.914 1.00 0.56 H new ATOM 0 HB3 LEU A 181 -9.133 -6.377 2.540 1.00 0.56 H new ATOM 0 HG LEU A 181 -6.177 -7.043 2.508 1.00 0.64 H new ATOM 0 HD11 LEU A 181 -6.024 -6.034 0.231 1.00 1.60 H new ATOM 0 HD12 LEU A 181 -7.009 -7.516 0.211 1.00 1.60 H new ATOM 0 HD13 LEU A 181 -7.799 -5.922 0.168 1.00 1.60 H new ATOM 0 HD21 LEU A 181 -5.992 -4.574 2.236 1.00 1.20 H new ATOM 0 HD22 LEU A 181 -7.766 -4.451 2.179 1.00 1.20 H new ATOM 0 HD23 LEU A 181 -6.960 -4.991 3.670 1.00 1.20 H new ATOM 2798 N THR A 182 -10.239 -8.850 4.320 1.00 0.49 N ATOM 2799 CA THR A 182 -11.605 -9.096 4.856 1.00 0.51 C ATOM 2800 C THR A 182 -11.535 -9.288 6.367 1.00 0.48 C ATOM 2801 O THR A 182 -12.396 -8.845 7.101 1.00 0.51 O ATOM 2802 CB THR A 182 -12.184 -10.359 4.205 1.00 0.54 C ATOM 2803 OG1 THR A 182 -11.893 -10.347 2.815 1.00 1.16 O ATOM 2804 CG2 THR A 182 -13.700 -10.402 4.408 1.00 1.07 C ATOM 0 H THR A 182 -9.893 -9.572 3.687 1.00 0.49 H new ATOM 0 HA THR A 182 -12.244 -8.242 4.631 1.00 0.51 H new ATOM 0 HB THR A 182 -11.737 -11.239 4.667 1.00 0.54 H new ATOM 0 HG1 THR A 182 -10.953 -10.588 2.675 1.00 1.16 H new ATOM 0 HG21 THR A 182 -14.104 -11.301 3.943 1.00 1.07 H new ATOM 0 HG22 THR A 182 -13.924 -10.413 5.475 1.00 1.07 H new ATOM 0 HG23 THR A 182 -14.153 -9.522 3.951 1.00 1.07 H new ATOM 2812 N ALA A 183 -10.524 -9.963 6.840 1.00 0.45 N ATOM 2813 CA ALA A 183 -10.421 -10.195 8.303 1.00 0.44 C ATOM 2814 C ALA A 183 -10.514 -8.854 9.033 1.00 0.44 C ATOM 2815 O ALA A 183 -11.196 -8.721 10.028 1.00 0.50 O ATOM 2816 CB ALA A 183 -9.084 -10.865 8.624 1.00 0.46 C ATOM 0 H ALA A 183 -9.771 -10.361 6.279 1.00 0.45 H new ATOM 0 HA ALA A 183 -11.233 -10.845 8.629 1.00 0.44 H new ATOM 0 HB1 ALA A 183 -9.011 -11.034 9.698 1.00 0.46 H new ATOM 0 HB2 ALA A 183 -9.020 -11.819 8.101 1.00 0.46 H new ATOM 0 HB3 ALA A 183 -8.267 -10.220 8.302 1.00 0.46 H new ATOM 2822 N SER A 184 -9.818 -7.858 8.542 1.00 0.47 N ATOM 2823 CA SER A 184 -9.848 -6.520 9.203 1.00 0.51 C ATOM 2824 C SER A 184 -11.257 -5.923 9.127 1.00 0.54 C ATOM 2825 O SER A 184 -11.757 -5.358 10.080 1.00 0.56 O ATOM 2826 CB SER A 184 -8.864 -5.586 8.498 1.00 0.62 C ATOM 2827 OG SER A 184 -7.586 -6.206 8.441 1.00 1.55 O ATOM 0 H SER A 184 -9.230 -7.916 7.711 1.00 0.47 H new ATOM 0 HA SER A 184 -9.567 -6.634 10.250 1.00 0.51 H new ATOM 0 HB2 SER A 184 -9.217 -5.360 7.492 1.00 0.62 H new ATOM 0 HB3 SER A 184 -8.798 -4.638 9.033 1.00 0.62 H new ATOM 0 HG SER A 184 -7.067 -5.819 7.705 1.00 1.55 H new ATOM 2833 N LEU A 185 -11.904 -6.057 8.000 1.00 0.58 N ATOM 2834 CA LEU A 185 -13.286 -5.516 7.848 1.00 0.69 C ATOM 2835 C LEU A 185 -14.245 -6.359 8.684 1.00 0.69 C ATOM 2836 O LEU A 185 -15.238 -5.885 9.200 1.00 0.79 O ATOM 2837 CB LEU A 185 -13.697 -5.618 6.377 1.00 0.71 C ATOM 2838 CG LEU A 185 -12.692 -4.861 5.498 1.00 0.79 C ATOM 2839 CD1 LEU A 185 -13.071 -5.052 4.026 1.00 1.62 C ATOM 2840 CD2 LEU A 185 -12.708 -3.361 5.844 1.00 1.18 C ATOM 0 H LEU A 185 -11.531 -6.522 7.172 1.00 0.58 H new ATOM 0 HA LEU A 185 -13.317 -4.477 8.177 1.00 0.69 H new ATOM 0 HB2 LEU A 185 -13.741 -6.664 6.075 1.00 0.71 H new ATOM 0 HB3 LEU A 185 -14.696 -5.204 6.240 1.00 0.71 H new ATOM 0 HG LEU A 185 -11.691 -5.252 5.677 1.00 0.79 H new ATOM 0 HD11 LEU A 185 -12.361 -4.517 3.395 1.00 1.62 H new ATOM 0 HD12 LEU A 185 -13.048 -6.113 3.779 1.00 1.62 H new ATOM 0 HD13 LEU A 185 -14.074 -4.662 3.855 1.00 1.62 H new ATOM 0 HD21 LEU A 185 -11.991 -2.835 5.214 1.00 1.18 H new ATOM 0 HD22 LEU A 185 -13.706 -2.959 5.672 1.00 1.18 H new ATOM 0 HD23 LEU A 185 -12.438 -3.226 6.891 1.00 1.18 H new ATOM 2852 N THR A 186 -13.933 -7.617 8.814 1.00 0.62 N ATOM 2853 CA THR A 186 -14.781 -8.546 9.604 1.00 0.68 C ATOM 2854 C THR A 186 -14.772 -8.160 11.079 1.00 0.62 C ATOM 2855 O THR A 186 -15.785 -8.221 11.749 1.00 0.64 O ATOM 2856 CB THR A 186 -14.209 -9.960 9.486 1.00 0.73 C ATOM 2857 OG1 THR A 186 -14.007 -10.276 8.117 1.00 0.89 O ATOM 2858 CG2 THR A 186 -15.197 -10.954 10.103 1.00 1.00 C ATOM 0 H THR A 186 -13.108 -8.048 8.396 1.00 0.62 H new ATOM 0 HA THR A 186 -15.800 -8.497 9.220 1.00 0.68 H new ATOM 0 HB THR A 186 -13.256 -10.017 10.012 1.00 0.73 H new ATOM 0 HG1 THR A 186 -13.341 -9.667 7.735 1.00 0.89 H new ATOM 0 HG21 THR A 186 -14.795 -11.964 10.022 1.00 1.00 H new ATOM 0 HG22 THR A 186 -15.352 -10.708 11.154 1.00 1.00 H new ATOM 0 HG23 THR A 186 -16.148 -10.898 9.573 1.00 1.00 H new ATOM 2866 N ILE A 187 -13.636 -7.779 11.609 1.00 0.64 N ATOM 2867 CA ILE A 187 -13.583 -7.417 13.055 1.00 0.66 C ATOM 2868 C ILE A 187 -14.037 -5.962 13.244 1.00 0.66 C ATOM 2869 O ILE A 187 -14.764 -5.660 14.168 1.00 0.75 O ATOM 2870 CB ILE A 187 -12.138 -7.634 13.597 1.00 0.72 C ATOM 2871 CG1 ILE A 187 -12.200 -8.052 15.077 1.00 0.88 C ATOM 2872 CG2 ILE A 187 -11.297 -6.346 13.499 1.00 1.57 C ATOM 2873 CD1 ILE A 187 -10.782 -8.147 15.658 1.00 0.87 C ATOM 0 H ILE A 187 -12.752 -7.704 11.106 1.00 0.64 H new ATOM 0 HA ILE A 187 -14.259 -8.058 13.621 1.00 0.66 H new ATOM 0 HB ILE A 187 -11.672 -8.410 12.990 1.00 0.72 H new ATOM 0 HG12 ILE A 187 -12.786 -7.328 15.643 1.00 0.88 H new ATOM 0 HG13 ILE A 187 -12.705 -9.013 15.171 1.00 0.88 H new ATOM 0 HG21 ILE A 187 -10.296 -6.535 13.886 1.00 1.57 H new ATOM 0 HG22 ILE A 187 -11.230 -6.033 12.457 1.00 1.57 H new ATOM 0 HG23 ILE A 187 -11.769 -5.558 14.085 1.00 1.57 H new ATOM 0 HD11 ILE A 187 -10.837 -8.443 16.705 1.00 0.87 H new ATOM 0 HD12 ILE A 187 -10.209 -8.888 15.101 1.00 0.87 H new ATOM 0 HD13 ILE A 187 -10.291 -7.177 15.581 1.00 0.87 H new ATOM 2885 N TRP A 188 -13.562 -5.056 12.429 1.00 0.64 N ATOM 2886 CA TRP A 188 -13.909 -3.614 12.614 1.00 0.70 C ATOM 2887 C TRP A 188 -15.387 -3.454 13.011 1.00 0.81 C ATOM 2888 O TRP A 188 -15.719 -2.699 13.904 1.00 1.06 O ATOM 2889 CB TRP A 188 -13.628 -2.861 11.302 1.00 0.85 C ATOM 2890 CG TRP A 188 -14.277 -1.513 11.327 1.00 0.92 C ATOM 2891 CD1 TRP A 188 -15.267 -1.112 10.496 1.00 1.76 C ATOM 2892 CD2 TRP A 188 -14.007 -0.393 12.214 1.00 1.04 C ATOM 2893 NE1 TRP A 188 -15.620 0.186 10.818 1.00 2.01 N ATOM 2894 CE2 TRP A 188 -14.871 0.673 11.870 1.00 1.34 C ATOM 2895 CE3 TRP A 188 -13.103 -0.201 13.273 1.00 1.79 C ATOM 2896 CZ2 TRP A 188 -14.839 1.888 12.555 1.00 1.47 C ATOM 2897 CZ3 TRP A 188 -13.068 1.020 13.964 1.00 2.17 C ATOM 2898 CH2 TRP A 188 -13.934 2.062 13.606 1.00 1.71 C ATOM 0 H TRP A 188 -12.946 -5.253 11.640 1.00 0.64 H new ATOM 0 HA TRP A 188 -13.299 -3.199 13.417 1.00 0.70 H new ATOM 0 HB2 TRP A 188 -12.553 -2.752 11.161 1.00 0.85 H new ATOM 0 HB3 TRP A 188 -14.004 -3.437 10.456 1.00 0.85 H new ATOM 0 HD1 TRP A 188 -15.709 -1.707 9.711 1.00 1.76 H new ATOM 0 HE1 TRP A 188 -16.345 0.718 10.337 1.00 2.01 H new ATOM 0 HE3 TRP A 188 -12.431 -0.998 13.557 1.00 1.79 H new ATOM 0 HZ2 TRP A 188 -15.508 2.688 12.275 1.00 1.47 H new ATOM 0 HZ3 TRP A 188 -12.370 1.157 14.776 1.00 2.17 H new ATOM 0 HH2 TRP A 188 -13.902 2.999 14.142 1.00 1.71 H new