USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 804 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= -1.99 USER MOD Set 2.1: A 54 THR OG1 : rot 1:sc= -0.123 USER MOD Set 2.2: A 57 SER OG : rot -54:sc= 0.83 USER MOD Single : A 17 THR OG1 : rot 22:sc= 0.806 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -7.62! C(o=-7.6!,f=-14!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.865 USER MOD Single : A 42 HIS : no HD1:sc= 0.326 K(o=0.33,f=-1.7!) USER MOD Single : A 43 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.8!) USER MOD Single : A 46 THR OG1 : rot -24:sc= 0.52 USER MOD Single : A 48 ASN : amide:sc= -4.4! K(o=-4.4!,f=-6.5) USER MOD Single : A 50 GLN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0763 K(o=-0.076,f=-1.3) USER MOD Single : A 66 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.028) USER MOD Single : A 69 SER OG : rot 170:sc= 0.0585 USER MOD Single : A 71 SER OG : rot -19:sc= 1.25 USER MOD Single : A 72 MET CE :methyl -142:sc= -8.58! (180deg=-12.8!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.536 F(o=-2,f=-0.54) USER MOD Single : A 76 ASN : amide:sc= -2.92! C(o=-2.9!,f=-4.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 83:sc= 1.95 USER MOD Single : A 87 SER OG : rot 180:sc= -0.517 USER MOD Single : A 88 LYS NZ :NH3+ 134:sc= -0.86 (180deg=-2.76) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -16:sc= 0.492 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -6.83! (180deg=-8.14!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc=-0.00273 X(o=-0.0027,f=0) USER MOD Single : A 106 THR OG1 : rot 23:sc= 0.118 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N THR A 17 -8.040 -6.303 9.657 1.00 0.00 N ATOM 198 CA THR A 17 -7.754 -5.528 8.461 1.00 0.00 C ATOM 199 C THR A 17 -7.613 -6.450 7.249 1.00 0.00 C ATOM 200 O THR A 17 -7.150 -7.583 7.377 1.00 0.00 O ATOM 201 CB THR A 17 -6.507 -4.684 8.732 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.473 -4.561 10.151 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.655 -3.244 8.236 1.00 0.00 C ATOM 0 HA THR A 17 -8.575 -4.853 8.221 1.00 0.00 H new ATOM 0 HB THR A 17 -5.645 -5.146 8.252 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.989 -5.289 10.555 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.742 -2.689 8.453 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.831 -3.246 7.160 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.497 -2.770 8.741 1.00 0.00 H new ATOM 211 N VAL A 18 -8.020 -5.931 6.100 1.00 0.00 N ATOM 212 CA VAL A 18 -7.944 -6.693 4.865 1.00 0.00 C ATOM 213 C VAL A 18 -6.501 -6.690 4.356 1.00 0.00 C ATOM 214 O VAL A 18 -5.737 -5.773 4.652 1.00 0.00 O ATOM 215 CB VAL A 18 -8.939 -6.137 3.845 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.653 -6.686 2.445 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.380 -6.434 4.266 1.00 0.00 C ATOM 0 H VAL A 18 -8.404 -4.991 5.998 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.224 -7.732 5.040 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.816 -5.054 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.374 -6.275 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.646 -6.401 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.735 -7.773 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.067 -6.028 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.522 -7.512 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.578 -5.974 5.234 1.00 0.00 H new ATOM 227 N LYS A 19 -6.172 -7.727 3.600 1.00 0.00 N ATOM 228 CA LYS A 19 -4.834 -7.855 3.047 1.00 0.00 C ATOM 229 C LYS A 19 -4.861 -7.477 1.565 1.00 0.00 C ATOM 230 O LYS A 19 -5.442 -8.191 0.749 1.00 0.00 O ATOM 231 CB LYS A 19 -4.275 -9.253 3.315 1.00 0.00 C ATOM 232 CG LYS A 19 -3.065 -9.191 4.249 1.00 0.00 C ATOM 233 CD LYS A 19 -2.396 -10.561 4.372 1.00 0.00 C ATOM 234 CE LYS A 19 -0.958 -10.518 3.851 1.00 0.00 C ATOM 235 NZ LYS A 19 -0.248 -11.773 4.186 1.00 0.00 N ATOM 0 H LYS A 19 -6.808 -8.486 3.357 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.150 -7.164 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.049 -9.879 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.988 -9.720 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.346 -8.464 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.379 -8.846 5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.399 -10.879 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.968 -11.300 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.960 -10.372 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.432 -9.668 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.726 -11.727 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.230 -11.896 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.741 -12.578 3.750 1.00 0.00 H new ATOM 249 N ILE A 20 -4.226 -6.355 1.261 1.00 0.00 N ATOM 250 CA ILE A 20 -4.170 -5.874 -0.109 1.00 0.00 C ATOM 251 C ILE A 20 -3.296 -6.815 -0.940 1.00 0.00 C ATOM 252 O ILE A 20 -2.079 -6.645 -1.004 1.00 0.00 O ATOM 253 CB ILE A 20 -3.710 -4.415 -0.146 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.521 -3.559 0.829 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.758 -3.861 -1.572 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.077 -2.096 0.775 1.00 0.00 C ATOM 0 H ILE A 20 -3.746 -5.765 1.940 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.164 -5.883 -0.557 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.671 -4.376 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.581 -3.630 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.400 -3.942 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.426 -2.823 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.103 -4.450 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.779 -3.915 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.669 -1.510 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.023 -2.026 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.222 -1.709 -0.233 1.00 0.00 H new ATOM 268 N SER A 21 -3.951 -7.788 -1.557 1.00 0.00 N ATOM 269 CA SER A 21 -3.249 -8.756 -2.382 1.00 0.00 C ATOM 270 C SER A 21 -2.896 -8.134 -3.735 1.00 0.00 C ATOM 271 O SER A 21 -1.723 -8.043 -4.093 1.00 0.00 O ATOM 272 CB SER A 21 -4.087 -10.020 -2.582 1.00 0.00 C ATOM 273 OG SER A 21 -3.354 -11.202 -2.273 1.00 0.00 O ATOM 0 H SER A 21 -4.960 -7.926 -1.502 1.00 0.00 H new ATOM 0 HA SER A 21 -2.330 -9.039 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.975 -9.969 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.431 -10.067 -3.615 1.00 0.00 H new ATOM 0 HG SER A 21 -3.925 -11.987 -2.412 1.00 0.00 H new ATOM 279 N ASN A 22 -3.933 -7.722 -4.449 1.00 0.00 N ATOM 280 CA ASN A 22 -3.747 -7.111 -5.754 1.00 0.00 C ATOM 281 C ASN A 22 -3.498 -5.612 -5.580 1.00 0.00 C ATOM 282 O ASN A 22 -4.341 -4.897 -5.040 1.00 0.00 O ATOM 283 CB ASN A 22 -4.992 -7.285 -6.626 1.00 0.00 C ATOM 284 CG ASN A 22 -4.638 -7.936 -7.964 1.00 0.00 C ATOM 285 OD1 ASN A 22 -4.347 -9.118 -8.051 1.00 0.00 O ATOM 286 ND2 ASN A 22 -4.679 -7.102 -8.999 1.00 0.00 N ATOM 0 H ASN A 22 -4.905 -7.799 -4.149 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.898 -7.597 -6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.725 -7.899 -6.102 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.456 -6.314 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.459 -7.440 -9.936 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.930 -6.124 -8.856 1.00 0.00 H new ATOM 293 N TYR A 23 -2.335 -5.179 -6.046 1.00 0.00 N ATOM 294 CA TYR A 23 -1.964 -3.778 -5.948 1.00 0.00 C ATOM 295 C TYR A 23 -1.060 -3.367 -7.113 1.00 0.00 C ATOM 296 O TYR A 23 -0.076 -4.043 -7.407 1.00 0.00 O ATOM 297 CB TYR A 23 -1.184 -3.638 -4.640 1.00 0.00 C ATOM 298 CG TYR A 23 0.019 -4.577 -4.529 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.204 -4.258 -5.159 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.082 -5.744 -3.798 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.336 -5.141 -5.055 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.051 -6.628 -3.694 1.00 0.00 C ATOM 303 CZ TYR A 23 2.204 -6.283 -4.328 1.00 0.00 C ATOM 304 OH TYR A 23 3.273 -7.117 -4.229 1.00 0.00 O ATOM 0 H TYR A 23 -1.638 -5.774 -6.492 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.850 -3.144 -5.976 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.839 -2.609 -4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.858 -3.828 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.282 -3.345 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.010 -5.994 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.269 -4.902 -5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.986 -7.544 -3.125 1.00 0.00 H new ATOM 0 HH TYR A 23 3.034 -7.892 -3.679 1.00 0.00 H new ATOM 314 N GLY A 24 -1.428 -2.262 -7.744 1.00 0.00 N ATOM 315 CA GLY A 24 -0.663 -1.753 -8.869 1.00 0.00 C ATOM 316 C GLY A 24 0.545 -0.944 -8.391 1.00 0.00 C ATOM 317 O GLY A 24 0.423 -0.112 -7.493 1.00 0.00 O ATOM 0 H GLY A 24 -2.246 -1.705 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.326 -2.583 -9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.301 -1.127 -9.493 1.00 0.00 H new ATOM 321 N TRP A 25 1.683 -1.216 -9.012 1.00 0.00 N ATOM 322 CA TRP A 25 2.911 -0.524 -8.661 1.00 0.00 C ATOM 323 C TRP A 25 3.658 -0.201 -9.957 1.00 0.00 C ATOM 324 O TRP A 25 3.557 -0.937 -10.936 1.00 0.00 O ATOM 325 CB TRP A 25 3.745 -1.350 -7.680 1.00 0.00 C ATOM 326 CG TRP A 25 4.393 -2.588 -8.303 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.851 -3.800 -8.485 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.736 -2.687 -8.822 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.742 -4.669 -9.081 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.925 -3.970 -9.293 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.757 -1.723 -8.892 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.125 -4.408 -9.866 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.950 -2.176 -9.468 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.156 -3.464 -9.946 1.00 0.00 C ATOM 0 H TRP A 25 1.780 -1.906 -9.756 1.00 0.00 H new ATOM 0 HA TRP A 25 2.693 0.410 -8.142 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.526 -0.716 -7.260 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.109 -1.663 -6.852 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.843 -4.064 -8.201 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.565 -5.644 -9.322 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.631 -0.713 -8.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.249 -5.419 -10.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.768 -1.475 -9.546 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.108 -3.736 -10.378 1.00 0.00 H new ATOM 345 N ASP A 26 4.393 0.902 -9.919 1.00 0.00 N ATOM 346 CA ASP A 26 5.157 1.331 -11.078 1.00 0.00 C ATOM 347 C ASP A 26 6.454 1.996 -10.611 1.00 0.00 C ATOM 348 O ASP A 26 6.481 2.645 -9.566 1.00 0.00 O ATOM 349 CB ASP A 26 4.374 2.353 -11.906 1.00 0.00 C ATOM 350 CG ASP A 26 2.881 2.055 -12.057 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.262 1.718 -11.025 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.392 2.172 -13.202 1.00 0.00 O ATOM 0 H ASP A 26 4.475 1.510 -9.104 1.00 0.00 H new ATOM 0 HA ASP A 26 5.364 0.453 -11.690 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.489 3.335 -11.447 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.820 2.412 -12.899 1.00 0.00 H new ATOM 357 N GLN A 27 7.496 1.810 -11.407 1.00 0.00 N ATOM 358 CA GLN A 27 8.793 2.383 -11.088 1.00 0.00 C ATOM 359 C GLN A 27 9.265 3.292 -12.225 1.00 0.00 C ATOM 360 O GLN A 27 8.933 3.063 -13.387 1.00 0.00 O ATOM 361 CB GLN A 27 9.820 1.287 -10.799 1.00 0.00 C ATOM 362 CG GLN A 27 10.071 0.429 -12.041 1.00 0.00 C ATOM 363 CD GLN A 27 9.112 -0.762 -12.087 1.00 0.00 C ATOM 364 OE1 GLN A 27 8.012 -0.727 -11.560 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.588 -1.815 -12.745 1.00 0.00 N ATOM 0 H GLN A 27 7.469 1.271 -12.272 1.00 0.00 H new ATOM 0 HA GLN A 27 8.691 2.986 -10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.756 1.738 -10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.465 0.657 -9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.946 1.036 -12.938 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.101 0.072 -12.039 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.518 -1.778 -13.163 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.023 -2.660 -12.832 1.00 0.00 H new ATOM 374 N SER A 28 10.033 4.305 -11.850 1.00 0.00 N ATOM 375 CA SER A 28 10.554 5.249 -12.823 1.00 0.00 C ATOM 376 C SER A 28 11.997 5.620 -12.471 1.00 0.00 C ATOM 377 O SER A 28 12.354 5.692 -11.296 1.00 0.00 O ATOM 378 CB SER A 28 9.685 6.506 -12.892 1.00 0.00 C ATOM 379 OG SER A 28 8.704 6.421 -13.921 1.00 0.00 O ATOM 0 H SER A 28 10.307 4.492 -10.885 1.00 0.00 H new ATOM 0 HA SER A 28 10.536 4.774 -13.804 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.191 6.658 -11.932 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.319 7.376 -13.066 1.00 0.00 H new ATOM 0 HG SER A 28 8.169 7.242 -13.931 1.00 0.00 H new ATOM 385 N ASP A 29 12.786 5.846 -13.511 1.00 0.00 N ATOM 386 CA ASP A 29 14.181 6.208 -13.326 1.00 0.00 C ATOM 387 C ASP A 29 14.263 7.570 -12.635 1.00 0.00 C ATOM 388 O ASP A 29 14.548 8.580 -13.277 1.00 0.00 O ATOM 389 CB ASP A 29 14.904 6.316 -14.670 1.00 0.00 C ATOM 390 CG ASP A 29 15.072 4.994 -15.422 1.00 0.00 C ATOM 391 OD1 ASP A 29 14.933 3.943 -14.760 1.00 0.00 O ATOM 392 OD2 ASP A 29 15.336 5.064 -16.642 1.00 0.00 O ATOM 0 H ASP A 29 12.486 5.786 -14.484 1.00 0.00 H new ATOM 0 HA ASP A 29 14.653 5.433 -12.723 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.356 7.011 -15.306 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.890 6.749 -14.501 1.00 0.00 H new ATOM 397 N LYS A 30 14.008 7.554 -11.335 1.00 0.00 N ATOM 398 CA LYS A 30 14.050 8.776 -10.549 1.00 0.00 C ATOM 399 C LYS A 30 13.382 8.529 -9.195 1.00 0.00 C ATOM 400 O LYS A 30 13.964 8.815 -8.150 1.00 0.00 O ATOM 401 CB LYS A 30 13.438 9.939 -11.334 1.00 0.00 C ATOM 402 CG LYS A 30 14.517 10.930 -11.775 1.00 0.00 C ATOM 403 CD LYS A 30 13.925 12.024 -12.666 1.00 0.00 C ATOM 404 CE LYS A 30 14.244 11.764 -14.139 1.00 0.00 C ATOM 405 NZ LYS A 30 13.304 12.502 -15.011 1.00 0.00 N ATOM 0 H LYS A 30 13.772 6.714 -10.806 1.00 0.00 H new ATOM 0 HA LYS A 30 15.082 9.065 -10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.912 9.556 -12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.700 10.451 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.981 11.382 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.303 10.401 -12.315 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.845 12.067 -12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.323 12.994 -12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.267 12.071 -14.355 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.181 10.696 -14.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.535 12.314 -16.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.331 12.190 -14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.384 13.522 -14.823 1.00 0.00 H new ATOM 419 N PHE A 31 12.168 8.000 -9.257 1.00 0.00 N ATOM 420 CA PHE A 31 11.415 7.712 -8.049 1.00 0.00 C ATOM 421 C PHE A 31 10.379 6.614 -8.297 1.00 0.00 C ATOM 422 O PHE A 31 9.789 6.545 -9.375 1.00 0.00 O ATOM 423 CB PHE A 31 10.691 9.001 -7.655 1.00 0.00 C ATOM 424 CG PHE A 31 11.627 10.167 -7.332 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.491 10.076 -6.286 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.595 11.295 -8.092 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.360 11.159 -5.987 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.464 12.377 -7.793 1.00 0.00 C ATOM 429 CZ PHE A 31 13.328 12.287 -6.747 1.00 0.00 C ATOM 0 H PHE A 31 11.688 7.764 -10.125 1.00 0.00 H new ATOM 0 HA PHE A 31 12.088 7.368 -7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.027 9.296 -8.468 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.063 8.802 -6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.516 9.181 -5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.909 11.367 -8.923 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.046 11.087 -5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.439 13.272 -8.397 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.989 13.111 -6.520 1.00 0.00 H new ATOM 439 N VAL A 32 10.188 5.783 -7.283 1.00 0.00 N ATOM 440 CA VAL A 32 9.234 4.692 -7.378 1.00 0.00 C ATOM 441 C VAL A 32 7.918 5.113 -6.720 1.00 0.00 C ATOM 442 O VAL A 32 7.921 5.844 -5.731 1.00 0.00 O ATOM 443 CB VAL A 32 9.828 3.421 -6.768 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.736 2.391 -6.475 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.910 2.832 -7.676 1.00 0.00 C ATOM 0 H VAL A 32 10.678 5.844 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 32 9.018 4.464 -8.422 1.00 0.00 H new ATOM 0 HB VAL A 32 10.296 3.690 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.185 1.497 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.017 2.813 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.226 2.128 -7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.316 1.929 -7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.477 2.585 -8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.709 3.561 -7.811 1.00 0.00 H new ATOM 455 N LYS A 33 6.825 4.631 -7.294 1.00 0.00 N ATOM 456 CA LYS A 33 5.506 4.948 -6.775 1.00 0.00 C ATOM 457 C LYS A 33 4.574 3.756 -7.003 1.00 0.00 C ATOM 458 O LYS A 33 4.695 3.050 -8.003 1.00 0.00 O ATOM 459 CB LYS A 33 4.991 6.255 -7.381 1.00 0.00 C ATOM 460 CG LYS A 33 3.488 6.416 -7.144 1.00 0.00 C ATOM 461 CD LYS A 33 3.066 7.880 -7.274 1.00 0.00 C ATOM 462 CE LYS A 33 3.849 8.580 -8.387 1.00 0.00 C ATOM 463 NZ LYS A 33 3.059 9.695 -8.955 1.00 0.00 N ATOM 0 H LYS A 33 6.826 4.023 -8.113 1.00 0.00 H new ATOM 0 HA LYS A 33 5.551 5.118 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.524 7.098 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.197 6.270 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.936 5.810 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.231 6.047 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.998 7.937 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.232 8.395 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.792 8.959 -7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.095 7.865 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.605 10.159 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.170 9.325 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.846 10.385 -8.207 1.00 0.00 H new ATOM 477 N ILE A 34 3.664 3.569 -6.058 1.00 0.00 N ATOM 478 CA ILE A 34 2.712 2.474 -6.143 1.00 0.00 C ATOM 479 C ILE A 34 1.291 3.042 -6.174 1.00 0.00 C ATOM 480 O ILE A 34 1.044 4.135 -5.667 1.00 0.00 O ATOM 481 CB ILE A 34 2.948 1.470 -5.013 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.336 0.836 -5.125 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.838 0.417 -4.974 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.297 1.434 -4.096 1.00 0.00 C ATOM 0 H ILE A 34 3.566 4.157 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 34 2.854 1.916 -7.069 1.00 0.00 H new ATOM 0 HB ILE A 34 2.915 2.008 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.261 -0.241 -4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.730 0.991 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.030 -0.284 -4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.878 0.906 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.815 -0.122 -5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.276 0.966 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.389 2.507 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.912 1.256 -3.092 1.00 0.00 H new ATOM 496 N TYR A 35 0.394 2.273 -6.774 1.00 0.00 N ATOM 497 CA TYR A 35 -0.995 2.685 -6.878 1.00 0.00 C ATOM 498 C TYR A 35 -1.937 1.522 -6.563 1.00 0.00 C ATOM 499 O TYR A 35 -2.035 0.570 -7.336 1.00 0.00 O ATOM 500 CB TYR A 35 -1.201 3.112 -8.333 1.00 0.00 C ATOM 501 CG TYR A 35 -0.009 3.859 -8.936 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.183 3.198 -9.150 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.127 5.194 -9.267 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.304 3.901 -9.718 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.994 5.897 -9.834 1.00 0.00 C ATOM 506 CZ TYR A 35 2.154 5.215 -10.032 1.00 0.00 C ATOM 507 OH TYR A 35 3.213 5.879 -10.568 1.00 0.00 O ATOM 0 H TYR A 35 0.603 1.367 -7.193 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.211 3.487 -6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.405 2.227 -8.936 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.084 3.748 -8.393 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.275 2.153 -8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.060 5.711 -9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.243 3.396 -9.891 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.916 6.942 -10.096 1.00 0.00 H new ATOM 0 HH TYR A 35 2.961 6.810 -10.743 1.00 0.00 H new ATOM 517 N ILE A 36 -2.608 1.636 -5.425 1.00 0.00 N ATOM 518 CA ILE A 36 -3.539 0.606 -4.998 1.00 0.00 C ATOM 519 C ILE A 36 -4.969 1.134 -5.121 1.00 0.00 C ATOM 520 O ILE A 36 -5.203 2.336 -5.002 1.00 0.00 O ATOM 521 CB ILE A 36 -3.184 0.111 -3.595 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.800 -0.541 -3.576 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.266 -0.825 -3.053 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.788 0.341 -2.841 1.00 0.00 C ATOM 0 H ILE A 36 -2.525 2.427 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.465 -0.267 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.142 0.974 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.860 -1.515 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.462 -0.715 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.988 -1.162 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.216 -0.293 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.365 -1.687 -3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.187 -0.146 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.713 1.305 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.117 0.493 -1.813 1.00 0.00 H new ATOM 536 N THR A 37 -5.889 0.211 -5.357 1.00 0.00 N ATOM 537 CA THR A 37 -7.290 0.569 -5.497 1.00 0.00 C ATOM 538 C THR A 37 -8.018 0.406 -4.162 1.00 0.00 C ATOM 539 O THR A 37 -8.285 -0.713 -3.728 1.00 0.00 O ATOM 540 CB THR A 37 -7.886 -0.282 -6.621 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.482 0.385 -7.813 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.414 -0.218 -6.658 1.00 0.00 C ATOM 0 H THR A 37 -5.692 -0.785 -5.455 1.00 0.00 H new ATOM 0 HA THR A 37 -7.404 1.619 -5.768 1.00 0.00 H new ATOM 0 HB THR A 37 -7.569 -1.318 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.825 -0.101 -8.592 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.785 -0.839 -7.473 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.816 -0.582 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.731 0.813 -6.814 1.00 0.00 H new ATOM 550 N LEU A 38 -8.319 1.541 -3.547 1.00 0.00 N ATOM 551 CA LEU A 38 -9.011 1.538 -2.269 1.00 0.00 C ATOM 552 C LEU A 38 -10.063 2.649 -2.262 1.00 0.00 C ATOM 553 O LEU A 38 -9.728 3.825 -2.131 1.00 0.00 O ATOM 554 CB LEU A 38 -8.009 1.633 -1.117 1.00 0.00 C ATOM 555 CG LEU A 38 -8.273 0.716 0.079 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.774 0.496 0.280 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.514 -0.604 -0.064 1.00 0.00 C ATOM 0 H LEU A 38 -8.096 2.468 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.540 0.596 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.015 1.412 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.990 2.663 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.897 1.208 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.934 -0.159 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.261 1.454 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.197 0.036 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.719 -1.237 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.837 -1.113 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.444 -0.404 -0.121 1.00 0.00 H new ATOM 569 N THR A 39 -11.314 2.236 -2.403 1.00 0.00 N ATOM 570 CA THR A 39 -12.418 3.182 -2.415 1.00 0.00 C ATOM 571 C THR A 39 -12.763 3.615 -0.989 1.00 0.00 C ATOM 572 O THR A 39 -13.125 2.787 -0.155 1.00 0.00 O ATOM 573 CB THR A 39 -13.589 2.532 -3.153 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.427 2.956 -4.504 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.940 3.118 -2.739 1.00 0.00 C ATOM 0 H THR A 39 -11.588 1.259 -2.510 1.00 0.00 H new ATOM 0 HA THR A 39 -12.150 4.097 -2.943 1.00 0.00 H new ATOM 0 HB THR A 39 -13.585 1.459 -2.964 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.145 2.578 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.737 2.622 -3.293 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.091 2.965 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.956 4.186 -2.959 1.00 0.00 H new ATOM 583 N GLY A 40 -12.639 4.913 -0.753 1.00 0.00 N ATOM 584 CA GLY A 40 -12.934 5.467 0.558 1.00 0.00 C ATOM 585 C GLY A 40 -11.661 5.976 1.236 1.00 0.00 C ATOM 586 O GLY A 40 -11.722 6.839 2.111 1.00 0.00 O ATOM 0 H GLY A 40 -12.338 5.597 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.649 6.284 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.403 4.706 1.181 1.00 0.00 H new ATOM 590 N VAL A 41 -10.537 5.421 0.807 1.00 0.00 N ATOM 591 CA VAL A 41 -9.251 5.809 1.363 1.00 0.00 C ATOM 592 C VAL A 41 -9.068 7.320 1.208 1.00 0.00 C ATOM 593 O VAL A 41 -8.323 7.939 1.966 1.00 0.00 O ATOM 594 CB VAL A 41 -8.131 5.001 0.704 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.900 5.458 -0.738 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.840 5.086 1.520 1.00 0.00 C ATOM 0 H VAL A 41 -10.490 4.706 0.081 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.212 5.584 2.429 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.442 3.957 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.099 4.868 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.815 5.321 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.621 6.512 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.060 4.503 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.523 6.126 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.015 4.689 2.520 1.00 0.00 H new ATOM 606 N HIS A 42 -9.761 7.870 0.222 1.00 0.00 N ATOM 607 CA HIS A 42 -9.685 9.297 -0.042 1.00 0.00 C ATOM 608 C HIS A 42 -10.696 10.036 0.837 1.00 0.00 C ATOM 609 O HIS A 42 -10.843 11.253 0.732 1.00 0.00 O ATOM 610 CB HIS A 42 -9.873 9.585 -1.532 1.00 0.00 C ATOM 611 CG HIS A 42 -11.314 9.575 -1.983 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.991 8.412 -2.306 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.199 10.598 -2.159 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.226 8.732 -2.661 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.354 10.087 -2.570 1.00 0.00 N ATOM 0 H HIS A 42 -10.378 7.353 -0.404 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.693 9.666 0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.438 10.558 -1.761 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.318 8.844 -2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.995 11.645 -1.992 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.997 8.041 -2.969 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.197 10.620 -2.782 1.00 0.00 H new ATOM 623 N GLN A 43 -11.367 9.270 1.684 1.00 0.00 N ATOM 624 CA GLN A 43 -12.360 9.836 2.581 1.00 0.00 C ATOM 625 C GLN A 43 -11.898 9.708 4.034 1.00 0.00 C ATOM 626 O GLN A 43 -12.240 10.539 4.874 1.00 0.00 O ATOM 627 CB GLN A 43 -13.724 9.173 2.378 1.00 0.00 C ATOM 628 CG GLN A 43 -14.325 9.558 1.025 1.00 0.00 C ATOM 629 CD GLN A 43 -15.844 9.708 1.123 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.463 9.383 2.122 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.409 10.217 0.031 1.00 0.00 N ATOM 0 H GLN A 43 -11.242 8.261 1.768 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.470 10.895 2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.618 8.090 2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.400 9.472 3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.885 10.494 0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.078 8.798 0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.832 10.468 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.419 10.356 -0.003 1.00 0.00 H new ATOM 640 N VAL A 44 -11.128 8.660 4.286 1.00 0.00 N ATOM 641 CA VAL A 44 -10.616 8.412 5.623 1.00 0.00 C ATOM 642 C VAL A 44 -9.517 9.427 5.940 1.00 0.00 C ATOM 643 O VAL A 44 -8.863 9.943 5.035 1.00 0.00 O ATOM 644 CB VAL A 44 -10.142 6.962 5.742 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.287 5.986 5.458 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.953 6.696 4.816 1.00 0.00 C ATOM 0 H VAL A 44 -10.846 7.973 3.587 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.405 8.544 6.364 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.810 6.801 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.924 4.962 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.092 6.151 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.662 6.149 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.636 5.658 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.247 6.884 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.128 7.356 5.084 1.00 0.00 H new ATOM 656 N PRO A 45 -9.343 9.692 7.263 1.00 0.00 N ATOM 657 CA PRO A 45 -8.334 10.637 7.711 1.00 0.00 C ATOM 658 C PRO A 45 -6.932 10.031 7.612 1.00 0.00 C ATOM 659 O PRO A 45 -6.783 8.851 7.296 1.00 0.00 O ATOM 660 CB PRO A 45 -8.729 10.989 9.135 1.00 0.00 C ATOM 661 CG PRO A 45 -9.669 9.885 9.592 1.00 0.00 C ATOM 662 CD PRO A 45 -10.099 9.101 8.363 1.00 0.00 C ATOM 0 HA PRO A 45 -8.292 11.532 7.091 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.852 11.048 9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.220 11.961 9.175 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.170 9.231 10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.537 10.308 10.098 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.875 8.040 8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.173 9.185 8.196 1.00 0.00 H new ATOM 670 N THR A 46 -5.941 10.865 7.888 1.00 0.00 N ATOM 671 CA THR A 46 -4.557 10.426 7.835 1.00 0.00 C ATOM 672 C THR A 46 -4.214 9.589 9.069 1.00 0.00 C ATOM 673 O THR A 46 -3.125 9.025 9.158 1.00 0.00 O ATOM 674 CB THR A 46 -3.673 11.665 7.676 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.353 11.139 7.571 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.634 12.521 8.943 1.00 0.00 C ATOM 0 H THR A 46 -6.069 11.843 8.149 1.00 0.00 H new ATOM 0 HA THR A 46 -4.383 9.773 6.980 1.00 0.00 H new ATOM 0 HB THR A 46 -4.036 12.266 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.317 10.258 7.998 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.993 13.387 8.777 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.642 12.857 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.239 11.930 9.769 1.00 0.00 H new ATOM 684 N GLU A 47 -5.165 9.536 9.991 1.00 0.00 N ATOM 685 CA GLU A 47 -4.977 8.778 11.216 1.00 0.00 C ATOM 686 C GLU A 47 -5.243 7.292 10.967 1.00 0.00 C ATOM 687 O GLU A 47 -4.619 6.434 11.589 1.00 0.00 O ATOM 688 CB GLU A 47 -5.872 9.315 12.335 1.00 0.00 C ATOM 689 CG GLU A 47 -7.319 8.856 12.148 1.00 0.00 C ATOM 690 CD GLU A 47 -8.301 9.957 12.555 1.00 0.00 C ATOM 691 OE1 GLU A 47 -8.171 11.068 11.998 1.00 0.00 O ATOM 692 OE2 GLU A 47 -9.159 9.663 13.415 1.00 0.00 O ATOM 0 H GLU A 47 -6.067 10.006 9.914 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.941 8.893 11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.500 8.971 13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.831 10.404 12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.486 8.582 11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.501 7.963 12.745 1.00 0.00 H new ATOM 699 N ASN A 48 -6.170 7.034 10.056 1.00 0.00 N ATOM 700 CA ASN A 48 -6.526 5.667 9.717 1.00 0.00 C ATOM 701 C ASN A 48 -5.505 5.110 8.723 1.00 0.00 C ATOM 702 O ASN A 48 -5.394 3.897 8.557 1.00 0.00 O ATOM 703 CB ASN A 48 -7.907 5.604 9.062 1.00 0.00 C ATOM 704 CG ASN A 48 -8.990 6.119 10.013 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.722 6.560 11.119 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.223 6.040 9.523 1.00 0.00 N ATOM 0 H ASN A 48 -6.685 7.749 9.542 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.537 5.083 10.637 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.908 6.199 8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.130 4.577 8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.015 6.359 10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.377 5.660 8.589 1.00 0.00 H new ATOM 713 N VAL A 49 -4.787 6.024 8.088 1.00 0.00 N ATOM 714 CA VAL A 49 -3.779 5.640 7.114 1.00 0.00 C ATOM 715 C VAL A 49 -2.389 5.817 7.729 1.00 0.00 C ATOM 716 O VAL A 49 -1.919 6.941 7.896 1.00 0.00 O ATOM 717 CB VAL A 49 -3.968 6.438 5.823 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.980 5.981 4.747 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.410 6.337 5.322 1.00 0.00 C ATOM 0 H VAL A 49 -4.883 7.030 8.229 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.885 4.588 6.848 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.763 7.486 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.135 6.564 3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.960 6.128 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.140 4.925 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.517 6.913 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.655 5.293 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.087 6.733 6.079 1.00 0.00 H new ATOM 729 N GLN A 50 -1.770 4.690 8.048 1.00 0.00 N ATOM 730 CA GLN A 50 -0.443 4.706 8.640 1.00 0.00 C ATOM 731 C GLN A 50 0.546 3.953 7.748 1.00 0.00 C ATOM 732 O GLN A 50 0.426 2.743 7.567 1.00 0.00 O ATOM 733 CB GLN A 50 -0.466 4.118 10.052 1.00 0.00 C ATOM 734 CG GLN A 50 -0.549 5.224 11.106 1.00 0.00 C ATOM 735 CD GLN A 50 -0.953 4.654 12.468 1.00 0.00 C ATOM 736 OE1 GLN A 50 -0.374 3.705 12.969 1.00 0.00 O ATOM 737 NE2 GLN A 50 -1.976 5.286 13.036 1.00 0.00 N ATOM 0 H GLN A 50 -2.163 3.759 7.908 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.114 5.742 8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.318 3.447 10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.431 3.521 10.216 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.415 5.725 11.189 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.273 5.976 10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.416 6.074 12.561 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.321 4.982 13.947 1.00 0.00 H new ATOM 746 N VAL A 51 1.500 4.702 7.214 1.00 0.00 N ATOM 747 CA VAL A 51 2.509 4.120 6.345 1.00 0.00 C ATOM 748 C VAL A 51 3.895 4.588 6.795 1.00 0.00 C ATOM 749 O VAL A 51 4.083 5.760 7.119 1.00 0.00 O ATOM 750 CB VAL A 51 2.206 4.466 4.886 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.570 5.853 4.772 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.467 4.368 4.026 1.00 0.00 C ATOM 0 H VAL A 51 1.595 5.706 7.366 1.00 0.00 H new ATOM 0 HA VAL A 51 2.494 3.032 6.417 1.00 0.00 H new ATOM 0 HB VAL A 51 1.488 3.737 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.365 6.074 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.638 5.873 5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.254 6.601 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.224 4.619 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.218 5.063 4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.859 3.352 4.070 1.00 0.00 H new ATOM 762 N HIS A 52 4.829 3.649 6.800 1.00 0.00 N ATOM 763 CA HIS A 52 6.192 3.951 7.204 1.00 0.00 C ATOM 764 C HIS A 52 7.163 3.500 6.111 1.00 0.00 C ATOM 765 O HIS A 52 7.054 2.387 5.599 1.00 0.00 O ATOM 766 CB HIS A 52 6.504 3.331 8.567 1.00 0.00 C ATOM 767 CG HIS A 52 7.919 3.564 9.039 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.617 2.643 9.801 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.760 4.621 8.847 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.821 3.135 10.052 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.908 4.361 9.460 1.00 0.00 N ATOM 0 H HIS A 52 4.669 2.678 6.531 1.00 0.00 H new ATOM 0 HA HIS A 52 6.310 5.028 7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.814 3.738 9.306 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.321 2.258 8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.530 5.518 8.290 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.598 2.650 10.625 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.721 4.976 9.484 1.00 0.00 H new ATOM 779 N PHE A 53 8.091 4.388 5.786 1.00 0.00 N ATOM 780 CA PHE A 53 9.081 4.095 4.764 1.00 0.00 C ATOM 781 C PHE A 53 10.420 3.706 5.393 1.00 0.00 C ATOM 782 O PHE A 53 10.800 4.240 6.433 1.00 0.00 O ATOM 783 CB PHE A 53 9.269 5.374 3.944 1.00 0.00 C ATOM 784 CG PHE A 53 7.990 5.874 3.269 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.329 5.075 2.389 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.514 7.116 3.550 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.142 5.539 1.762 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.327 7.580 2.924 1.00 0.00 C ATOM 789 CZ PHE A 53 5.666 6.782 2.043 1.00 0.00 C ATOM 0 H PHE A 53 8.178 5.311 6.212 1.00 0.00 H new ATOM 0 HA PHE A 53 8.744 3.262 4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.654 6.158 4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.025 5.195 3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.707 4.088 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.039 7.750 4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.617 4.905 1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.949 8.567 3.147 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.763 7.135 1.567 1.00 0.00 H new ATOM 799 N THR A 54 11.099 2.777 4.735 1.00 0.00 N ATOM 800 CA THR A 54 12.388 2.310 5.216 1.00 0.00 C ATOM 801 C THR A 54 13.440 2.415 4.111 1.00 0.00 C ATOM 802 O THR A 54 13.237 3.115 3.120 1.00 0.00 O ATOM 803 CB THR A 54 12.206 0.887 5.749 1.00 0.00 C ATOM 804 OG1 THR A 54 11.674 0.167 4.640 1.00 0.00 O ATOM 805 CG2 THR A 54 11.110 0.796 6.813 1.00 0.00 C ATOM 0 H THR A 54 10.780 2.335 3.873 1.00 0.00 H new ATOM 0 HA THR A 54 12.756 2.934 6.031 1.00 0.00 H new ATOM 0 HB THR A 54 13.148 0.533 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.588 0.768 3.871 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.022 -0.234 7.157 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.366 1.439 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.160 1.118 6.386 1.00 0.00 H new ATOM 813 N GLU A 55 14.542 1.710 4.318 1.00 0.00 N ATOM 814 CA GLU A 55 15.627 1.715 3.352 1.00 0.00 C ATOM 815 C GLU A 55 15.301 0.782 2.183 1.00 0.00 C ATOM 816 O GLU A 55 15.573 1.110 1.029 1.00 0.00 O ATOM 817 CB GLU A 55 16.951 1.325 4.011 1.00 0.00 C ATOM 818 CG GLU A 55 17.234 -0.168 3.833 1.00 0.00 C ATOM 819 CD GLU A 55 18.389 -0.619 4.730 1.00 0.00 C ATOM 820 OE1 GLU A 55 19.546 -0.470 4.282 1.00 0.00 O ATOM 821 OE2 GLU A 55 18.088 -1.101 5.843 1.00 0.00 O ATOM 0 H GLU A 55 14.707 1.131 5.141 1.00 0.00 H new ATOM 0 HA GLU A 55 15.737 2.728 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.763 1.907 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.918 1.568 5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.339 -0.742 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.477 -0.374 2.791 1.00 0.00 H new ATOM 828 N ARG A 56 14.724 -0.360 2.523 1.00 0.00 N ATOM 829 CA ARG A 56 14.358 -1.342 1.516 1.00 0.00 C ATOM 830 C ARG A 56 13.023 -1.998 1.875 1.00 0.00 C ATOM 831 O ARG A 56 12.922 -3.223 1.922 1.00 0.00 O ATOM 832 CB ARG A 56 15.432 -2.425 1.387 1.00 0.00 C ATOM 833 CG ARG A 56 16.777 -1.817 0.986 1.00 0.00 C ATOM 834 CD ARG A 56 17.184 -2.264 -0.420 1.00 0.00 C ATOM 835 NE ARG A 56 18.373 -3.142 -0.347 1.00 0.00 N ATOM 836 CZ ARG A 56 18.319 -4.467 -0.157 1.00 0.00 C ATOM 837 NH1 ARG A 56 17.133 -5.076 -0.018 1.00 0.00 N ATOM 838 NH2 ARG A 56 19.450 -5.184 -0.105 1.00 0.00 N ATOM 0 H ARG A 56 14.501 -0.628 3.481 1.00 0.00 H new ATOM 0 HA ARG A 56 14.266 -0.821 0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.536 -2.954 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.125 -3.160 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.713 -0.729 1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.543 -2.115 1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 56 16.359 -2.794 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.402 -1.393 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 56 19.292 -2.711 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.272 -4.531 -0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.092 -6.085 0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 56 20.353 -4.721 -0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.408 -6.193 0.040 1.00 0.00 H new ATOM 852 N SER A 57 12.032 -1.154 2.118 1.00 0.00 N ATOM 853 CA SER A 57 10.707 -1.636 2.471 1.00 0.00 C ATOM 854 C SER A 57 9.781 -0.454 2.764 1.00 0.00 C ATOM 855 O SER A 57 10.227 0.691 2.818 1.00 0.00 O ATOM 856 CB SER A 57 10.766 -2.575 3.677 1.00 0.00 C ATOM 857 OG SER A 57 10.510 -1.891 4.900 1.00 0.00 O ATOM 0 H SER A 57 12.119 -0.139 2.078 1.00 0.00 H new ATOM 0 HA SER A 57 10.311 -2.199 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.036 -3.375 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.749 -3.044 3.723 1.00 0.00 H new ATOM 0 HG SER A 57 11.124 -1.132 4.985 1.00 0.00 H new ATOM 863 N PHE A 58 8.507 -0.772 2.945 1.00 0.00 N ATOM 864 CA PHE A 58 7.514 0.249 3.231 1.00 0.00 C ATOM 865 C PHE A 58 6.181 -0.381 3.639 1.00 0.00 C ATOM 866 O PHE A 58 5.654 -1.239 2.932 1.00 0.00 O ATOM 867 CB PHE A 58 7.313 1.050 1.943 1.00 0.00 C ATOM 868 CG PHE A 58 6.076 0.639 1.141 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.833 0.853 1.651 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.219 0.060 -0.081 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.686 0.472 0.907 1.00 0.00 C ATOM 872 CE2 PHE A 58 5.072 -0.321 -0.825 1.00 0.00 C ATOM 873 CZ PHE A 58 3.829 -0.108 -0.315 1.00 0.00 C ATOM 0 H PHE A 58 8.140 -1.723 2.899 1.00 0.00 H new ATOM 0 HA PHE A 58 7.854 0.879 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.236 2.108 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.196 0.935 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.719 1.313 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.206 -0.110 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.699 0.643 1.311 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.186 -0.780 -1.796 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.956 -0.399 -0.880 1.00 0.00 H new ATOM 883 N ASP A 59 5.674 0.068 4.778 1.00 0.00 N ATOM 884 CA ASP A 59 4.413 -0.441 5.288 1.00 0.00 C ATOM 885 C ASP A 59 3.320 0.608 5.075 1.00 0.00 C ATOM 886 O ASP A 59 3.594 1.807 5.095 1.00 0.00 O ATOM 887 CB ASP A 59 4.503 -0.732 6.787 1.00 0.00 C ATOM 888 CG ASP A 59 5.266 0.312 7.604 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.488 0.435 7.369 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.611 0.965 8.445 1.00 0.00 O ATOM 0 H ASP A 59 6.114 0.779 5.362 1.00 0.00 H new ATOM 0 HA ASP A 59 4.181 -1.363 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.492 -0.816 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.982 -1.701 6.925 1.00 0.00 H new ATOM 895 N LEU A 60 2.105 0.119 4.876 1.00 0.00 N ATOM 896 CA LEU A 60 0.970 1.000 4.659 1.00 0.00 C ATOM 897 C LEU A 60 -0.285 0.364 5.260 1.00 0.00 C ATOM 898 O LEU A 60 -0.715 -0.702 4.822 1.00 0.00 O ATOM 899 CB LEU A 60 0.835 1.345 3.175 1.00 0.00 C ATOM 900 CG LEU A 60 -0.155 2.460 2.833 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.900 2.152 1.533 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.114 2.718 3.996 1.00 0.00 C ATOM 0 H LEU A 60 1.882 -0.876 4.860 1.00 0.00 H new ATOM 0 HA LEU A 60 1.122 1.951 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.817 1.630 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.537 0.444 2.639 1.00 0.00 H new ATOM 0 HG LEU A 60 0.408 3.379 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.597 2.960 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.184 2.058 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.450 1.218 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.807 3.515 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.674 1.809 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.545 3.014 4.878 1.00 0.00 H new ATOM 914 N LEU A 61 -0.838 1.045 6.253 1.00 0.00 N ATOM 915 CA LEU A 61 -2.035 0.560 6.918 1.00 0.00 C ATOM 916 C LEU A 61 -3.218 1.457 6.548 1.00 0.00 C ATOM 917 O LEU A 61 -3.043 2.648 6.296 1.00 0.00 O ATOM 918 CB LEU A 61 -1.801 0.441 8.425 1.00 0.00 C ATOM 919 CG LEU A 61 -3.057 0.354 9.294 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.856 1.658 9.235 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.908 -0.857 8.909 1.00 0.00 C ATOM 0 H LEU A 61 -0.479 1.929 6.613 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.278 -0.446 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.194 -0.445 8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.217 1.301 8.751 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.746 0.213 10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.744 1.569 9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.238 2.480 9.596 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.156 1.854 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.794 -0.895 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.211 -0.772 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.326 -1.769 9.045 1.00 0.00 H new ATOM 933 N VAL A 62 -4.396 0.851 6.527 1.00 0.00 N ATOM 934 CA VAL A 62 -5.607 1.581 6.193 1.00 0.00 C ATOM 935 C VAL A 62 -6.781 1.002 6.984 1.00 0.00 C ATOM 936 O VAL A 62 -7.302 -0.059 6.643 1.00 0.00 O ATOM 937 CB VAL A 62 -5.834 1.552 4.680 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.183 2.176 4.316 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.690 2.250 3.940 1.00 0.00 C ATOM 0 H VAL A 62 -4.538 -0.137 6.736 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.511 2.630 6.475 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.851 0.509 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.319 2.143 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.984 1.618 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.207 3.212 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.876 2.215 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.627 3.289 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.751 1.744 4.162 1.00 0.00 H new ATOM 949 N LYS A 63 -7.164 1.725 8.027 1.00 0.00 N ATOM 950 CA LYS A 63 -8.267 1.296 8.870 1.00 0.00 C ATOM 951 C LYS A 63 -9.518 2.102 8.515 1.00 0.00 C ATOM 952 O LYS A 63 -9.434 3.108 7.812 1.00 0.00 O ATOM 953 CB LYS A 63 -7.878 1.383 10.347 1.00 0.00 C ATOM 954 CG LYS A 63 -7.829 -0.007 10.984 1.00 0.00 C ATOM 955 CD LYS A 63 -6.421 -0.328 11.491 1.00 0.00 C ATOM 956 CE LYS A 63 -5.862 0.827 12.324 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.521 0.365 13.688 1.00 0.00 N ATOM 0 H LYS A 63 -6.730 2.605 8.307 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.501 0.247 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.905 1.865 10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.596 2.006 10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.537 -0.057 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.137 -0.756 10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.446 -1.237 12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.762 -0.524 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.975 1.236 11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.595 1.632 12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.143 1.161 14.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.375 -0.004 14.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.805 -0.387 13.631 1.00 0.00 H new ATOM 971 N ASN A 64 -10.650 1.630 9.017 1.00 0.00 N ATOM 972 CA ASN A 64 -11.916 2.295 8.761 1.00 0.00 C ATOM 973 C ASN A 64 -11.953 2.773 7.308 1.00 0.00 C ATOM 974 O ASN A 64 -11.541 3.893 7.009 1.00 0.00 O ATOM 975 CB ASN A 64 -12.089 3.517 9.665 1.00 0.00 C ATOM 976 CG ASN A 64 -13.530 3.629 10.167 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.449 3.029 9.633 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.676 4.428 11.220 1.00 0.00 N ATOM 0 H ASN A 64 -10.717 0.795 9.599 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.717 1.583 8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.409 3.445 10.514 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.820 4.420 9.117 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.600 4.569 11.629 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.864 4.900 11.618 1.00 0.00 H new ATOM 985 N LEU A 65 -12.449 1.900 6.444 1.00 0.00 N ATOM 986 CA LEU A 65 -12.545 2.218 5.030 1.00 0.00 C ATOM 987 C LEU A 65 -13.980 1.985 4.554 1.00 0.00 C ATOM 988 O LEU A 65 -14.928 2.475 5.166 1.00 0.00 O ATOM 989 CB LEU A 65 -11.498 1.437 4.233 1.00 0.00 C ATOM 990 CG LEU A 65 -11.178 1.976 2.837 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.930 3.281 2.567 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.669 2.134 2.643 1.00 0.00 C ATOM 0 H LEU A 65 -12.789 0.972 6.696 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.321 3.271 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.575 1.412 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.840 0.407 4.133 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.523 1.248 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.685 3.642 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.003 3.103 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.638 4.028 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.469 2.518 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.278 2.831 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.183 1.166 2.763 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.095 1.236 3.467 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.399 0.932 2.903 1.00 0.00 C ATOM 1006 C ASN A 66 -16.079 -0.144 3.752 1.00 0.00 C ATOM 1007 O ASN A 66 -16.194 -1.293 3.330 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.270 0.395 1.476 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.466 0.817 0.621 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.346 0.033 0.308 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.449 2.098 0.261 1.00 0.00 N ATOM 0 H ASN A 66 -13.307 0.831 2.962 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.984 1.852 2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.349 0.765 1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.200 -0.693 1.498 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.203 2.477 -0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.682 2.701 0.557 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.512 0.268 4.935 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.178 -0.646 5.848 1.00 0.00 C ATOM 1020 C GLY A 67 -16.235 -1.769 6.283 1.00 0.00 C ATOM 1021 O GLY A 67 -16.685 -2.827 6.721 1.00 0.00 O ATOM 0 H GLY A 67 -16.415 1.222 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.528 -0.100 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.058 -1.071 5.365 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.945 -1.501 6.148 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.935 -2.477 6.522 1.00 0.00 C ATOM 1027 C LYS A 68 -12.577 -1.780 6.636 1.00 0.00 C ATOM 1028 O LYS A 68 -12.501 -0.553 6.615 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.941 -3.656 5.547 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.460 -3.228 4.173 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.732 -3.976 3.055 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.903 -5.489 3.205 1.00 0.00 C ATOM 1033 NZ LYS A 68 -14.324 -6.092 1.920 1.00 0.00 N ATOM 0 H LYS A 68 -14.575 -0.622 5.785 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.160 -2.902 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.932 -4.057 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.566 -4.457 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.531 -3.422 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.322 -2.154 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.119 -3.657 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.672 -3.723 3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.965 -5.936 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.645 -5.703 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.436 -7.119 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.230 -5.677 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.602 -5.904 1.195 1.00 0.00 H new ATOM 1047 N SER A 69 -11.539 -2.594 6.755 1.00 0.00 N ATOM 1048 CA SER A 69 -10.188 -2.072 6.872 1.00 0.00 C ATOM 1049 C SER A 69 -9.251 -2.825 5.925 1.00 0.00 C ATOM 1050 O SER A 69 -9.501 -3.982 5.590 1.00 0.00 O ATOM 1051 CB SER A 69 -9.681 -2.174 8.312 1.00 0.00 C ATOM 1052 OG SER A 69 -10.491 -1.429 9.217 1.00 0.00 O ATOM 0 H SER A 69 -11.606 -3.612 6.773 1.00 0.00 H new ATOM 0 HA SER A 69 -10.204 -1.018 6.594 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.664 -3.220 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.654 -1.811 8.361 1.00 0.00 H new ATOM 0 HG SER A 69 -10.237 -1.646 10.138 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.194 -2.138 5.520 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.219 -2.728 4.618 1.00 0.00 C ATOM 1060 C TYR A 70 -5.793 -2.476 5.112 1.00 0.00 C ATOM 1061 O TYR A 70 -5.525 -1.463 5.756 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.411 -2.027 3.272 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.762 -2.309 2.611 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.906 -1.709 3.096 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.836 -3.163 1.530 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.178 -1.974 2.474 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.107 -3.428 0.908 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.215 -2.821 1.411 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.416 -3.071 0.823 1.00 0.00 O ATOM 0 H TYR A 70 -7.991 -1.178 5.799 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.361 -3.807 4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.306 -0.952 3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.615 -2.338 2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.848 -1.040 3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.941 -3.633 1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.081 -1.511 2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.179 -4.094 0.061 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.291 -3.693 0.076 1.00 0.00 H new ATOM 1079 N SER A 71 -4.915 -3.415 4.790 1.00 0.00 N ATOM 1080 CA SER A 71 -3.523 -3.307 5.192 1.00 0.00 C ATOM 1081 C SER A 71 -2.610 -3.721 4.036 1.00 0.00 C ATOM 1082 O SER A 71 -2.925 -4.650 3.294 1.00 0.00 O ATOM 1083 CB SER A 71 -3.238 -4.165 6.426 1.00 0.00 C ATOM 1084 OG SER A 71 -3.597 -5.529 6.222 1.00 0.00 O ATOM 0 H SER A 71 -5.141 -4.254 4.255 1.00 0.00 H new ATOM 0 HA SER A 71 -3.322 -2.267 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.179 -4.102 6.674 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.789 -3.769 7.279 1.00 0.00 H new ATOM 0 HG SER A 71 -4.220 -5.594 5.469 1.00 0.00 H new ATOM 1090 N MET A 72 -1.498 -3.011 3.919 1.00 0.00 N ATOM 1091 CA MET A 72 -0.537 -3.293 2.865 1.00 0.00 C ATOM 1092 C MET A 72 0.888 -2.980 3.325 1.00 0.00 C ATOM 1093 O MET A 72 1.183 -1.854 3.721 1.00 0.00 O ATOM 1094 CB MET A 72 -0.872 -2.453 1.631 1.00 0.00 C ATOM 1095 CG MET A 72 0.301 -2.431 0.648 1.00 0.00 C ATOM 1096 SD MET A 72 -0.269 -1.945 -0.972 1.00 0.00 S ATOM 1097 CE MET A 72 0.241 -3.368 -1.920 1.00 0.00 C ATOM 0 H MET A 72 -1.240 -2.241 4.536 1.00 0.00 H new ATOM 0 HA MET A 72 -0.595 -4.354 2.620 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.756 -2.859 1.139 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.116 -1.435 1.935 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.066 -1.737 0.997 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.764 -3.417 0.599 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.600 -3.045 -2.897 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.041 -3.888 -1.394 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.606 -4.042 -2.049 1.00 0.00 H new ATOM 1107 N ILE A 73 1.734 -3.997 3.257 1.00 0.00 N ATOM 1108 CA ILE A 73 3.122 -3.845 3.661 1.00 0.00 C ATOM 1109 C ILE A 73 4.022 -4.572 2.661 1.00 0.00 C ATOM 1110 O ILE A 73 3.652 -5.621 2.135 1.00 0.00 O ATOM 1111 CB ILE A 73 3.312 -4.305 5.108 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.568 -3.385 6.078 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.797 -4.423 5.455 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.060 -3.588 7.512 1.00 0.00 C ATOM 0 H ILE A 73 1.485 -4.930 2.928 1.00 0.00 H new ATOM 0 HA ILE A 73 3.411 -2.794 3.645 1.00 0.00 H new ATOM 0 HB ILE A 73 2.877 -5.299 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.714 -2.346 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.498 -3.584 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.904 -4.751 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.269 -5.149 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.278 -3.453 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.515 -2.922 8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.891 -4.622 7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.125 -3.364 7.566 1.00 0.00 H new ATOM 1126 N VAL A 74 5.188 -3.987 2.428 1.00 0.00 N ATOM 1127 CA VAL A 74 6.145 -4.567 1.501 1.00 0.00 C ATOM 1128 C VAL A 74 7.504 -4.696 2.191 1.00 0.00 C ATOM 1129 O VAL A 74 8.049 -3.711 2.687 1.00 0.00 O ATOM 1130 CB VAL A 74 6.202 -3.732 0.219 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.868 -3.029 -0.037 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.352 -2.724 0.272 1.00 0.00 C ATOM 0 H VAL A 74 5.492 -3.117 2.865 1.00 0.00 H new ATOM 0 HA VAL A 74 5.834 -5.570 1.208 1.00 0.00 H new ATOM 0 HB VAL A 74 6.389 -4.410 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.936 -2.443 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.078 -3.773 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.638 -2.369 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.370 -2.144 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.209 -2.054 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.297 -3.256 0.385 1.00 0.00 H new ATOM 1142 N ASN A 75 8.013 -5.919 2.200 1.00 0.00 N ATOM 1143 CA ASN A 75 9.298 -6.190 2.821 1.00 0.00 C ATOM 1144 C ASN A 75 10.262 -6.742 1.769 1.00 0.00 C ATOM 1145 O ASN A 75 9.940 -7.700 1.068 1.00 0.00 O ATOM 1146 CB ASN A 75 9.164 -7.234 3.932 1.00 0.00 C ATOM 1147 CG ASN A 75 8.490 -6.635 5.168 1.00 0.00 C ATOM 1148 OD1 ASN A 75 7.180 -6.451 5.035 1.00 0.00 O flip ATOM 1149 ND2 ASN A 75 9.118 -6.359 6.177 1.00 0.00 N flip ATOM 0 H ASN A 75 7.559 -6.733 1.787 1.00 0.00 H new ATOM 0 HA ASN A 75 9.670 -5.257 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.582 -8.082 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.150 -7.615 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.124 -6.526 6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.637 -5.962 6.984 1.00 0.00 H new ATOM 1156 N ASN A 76 11.426 -6.112 1.691 1.00 0.00 N ATOM 1157 CA ASN A 76 12.439 -6.528 0.736 1.00 0.00 C ATOM 1158 C ASN A 76 12.138 -5.898 -0.626 1.00 0.00 C ATOM 1159 O ASN A 76 11.397 -6.466 -1.426 1.00 0.00 O ATOM 1160 CB ASN A 76 12.443 -8.048 0.563 1.00 0.00 C ATOM 1161 CG ASN A 76 12.231 -8.752 1.905 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.481 -8.208 2.968 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.758 -9.991 1.797 1.00 0.00 N ATOM 0 H ASN A 76 11.689 -5.317 2.273 1.00 0.00 H new ATOM 0 HA ASN A 76 13.410 -6.206 1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.657 -8.341 -0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.390 -8.366 0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.583 -10.545 2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.570 -10.387 0.876 1.00 0.00 H new ATOM 1170 N LEU A 77 12.730 -4.733 -0.847 1.00 0.00 N ATOM 1171 CA LEU A 77 12.535 -4.021 -2.098 1.00 0.00 C ATOM 1172 C LEU A 77 13.750 -4.242 -3.001 1.00 0.00 C ATOM 1173 O LEU A 77 14.890 -4.137 -2.551 1.00 0.00 O ATOM 1174 CB LEU A 77 12.227 -2.546 -1.832 1.00 0.00 C ATOM 1175 CG LEU A 77 10.972 -2.261 -1.005 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.972 -0.822 -0.486 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.706 -2.583 -1.801 1.00 0.00 C ATOM 0 H LEU A 77 13.345 -4.265 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 77 11.668 -4.414 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.082 -2.103 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.129 -2.037 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 77 10.981 -2.917 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.069 -0.646 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.848 -0.662 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.999 -0.131 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.828 -2.372 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.677 -1.970 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.709 -3.637 -2.079 1.00 0.00 H new ATOM 1189 N LEU A 78 13.465 -4.545 -4.259 1.00 0.00 N ATOM 1190 CA LEU A 78 14.521 -4.782 -5.229 1.00 0.00 C ATOM 1191 C LEU A 78 15.667 -3.800 -4.979 1.00 0.00 C ATOM 1192 O LEU A 78 16.827 -4.202 -4.895 1.00 0.00 O ATOM 1193 CB LEU A 78 13.963 -4.726 -6.653 1.00 0.00 C ATOM 1194 CG LEU A 78 14.701 -5.566 -7.696 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.563 -7.060 -7.394 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.230 -5.222 -9.111 1.00 0.00 C ATOM 0 H LEU A 78 12.518 -4.632 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 78 14.929 -5.786 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.922 -5.048 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.967 -3.687 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 78 15.762 -5.323 -7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.097 -7.635 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.985 -7.273 -6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.509 -7.337 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.771 -5.834 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.161 -5.419 -9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.422 -4.168 -9.312 1.00 0.00 H new ATOM 1208 N LYS A 79 15.303 -2.531 -4.867 1.00 0.00 N ATOM 1209 CA LYS A 79 16.287 -1.489 -4.628 1.00 0.00 C ATOM 1210 C LYS A 79 15.890 -0.694 -3.382 1.00 0.00 C ATOM 1211 O LYS A 79 14.728 -0.705 -2.979 1.00 0.00 O ATOM 1212 CB LYS A 79 16.466 -0.624 -5.878 1.00 0.00 C ATOM 1213 CG LYS A 79 16.623 -1.493 -7.127 1.00 0.00 C ATOM 1214 CD LYS A 79 18.098 -1.665 -7.494 1.00 0.00 C ATOM 1215 CE LYS A 79 18.283 -2.800 -8.503 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.683 -3.280 -8.493 1.00 0.00 N ATOM 0 H LYS A 79 14.340 -2.201 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 79 17.265 -1.927 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.606 0.035 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.343 0.013 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.172 -2.470 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.088 -1.038 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.483 -0.735 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.678 -1.874 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.609 -3.622 -8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.018 -2.453 -9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.791 -4.050 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.320 -2.497 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.923 -3.630 -7.544 1.00 0.00 H new ATOM 1230 N PRO A 80 16.904 -0.005 -2.792 1.00 0.00 N ATOM 1231 CA PRO A 80 16.672 0.793 -1.601 1.00 0.00 C ATOM 1232 C PRO A 80 15.943 2.093 -1.945 1.00 0.00 C ATOM 1233 O PRO A 80 15.800 2.438 -3.118 1.00 0.00 O ATOM 1234 CB PRO A 80 18.052 1.025 -1.008 1.00 0.00 C ATOM 1235 CG PRO A 80 19.039 0.749 -2.130 1.00 0.00 C ATOM 1236 CD PRO A 80 18.292 0.031 -3.242 1.00 0.00 C ATOM 0 HA PRO A 80 16.022 0.295 -0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.153 2.047 -0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.229 0.363 -0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.468 1.681 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.866 0.138 -1.769 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.388 0.561 -4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.684 -0.974 -3.398 1.00 0.00 H new ATOM 1244 N ILE A 81 15.500 2.780 -0.903 1.00 0.00 N ATOM 1245 CA ILE A 81 14.789 4.035 -1.080 1.00 0.00 C ATOM 1246 C ILE A 81 14.988 4.909 0.160 1.00 0.00 C ATOM 1247 O ILE A 81 15.100 4.398 1.273 1.00 0.00 O ATOM 1248 CB ILE A 81 13.320 3.775 -1.419 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.658 2.899 -0.354 1.00 0.00 C ATOM 1250 CG2 ILE A 81 13.178 3.179 -2.821 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.661 3.707 0.479 1.00 0.00 C ATOM 0 H ILE A 81 15.620 2.491 0.068 1.00 0.00 H new ATOM 0 HA ILE A 81 15.196 4.586 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 81 12.796 4.731 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.145 2.064 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.421 2.474 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 81 12.124 3.004 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.588 3.873 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.720 2.235 -2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.205 3.060 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.181 4.526 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.886 4.111 -0.172 1.00 0.00 H new ATOM 1263 N SER A 82 15.027 6.213 -0.075 1.00 0.00 N ATOM 1264 CA SER A 82 15.211 7.163 1.009 1.00 0.00 C ATOM 1265 C SER A 82 13.954 7.214 1.879 1.00 0.00 C ATOM 1266 O SER A 82 12.843 7.333 1.365 1.00 0.00 O ATOM 1267 CB SER A 82 15.541 8.556 0.470 1.00 0.00 C ATOM 1268 OG SER A 82 16.879 8.942 0.771 1.00 0.00 O ATOM 0 H SER A 82 14.934 6.633 -1.000 1.00 0.00 H new ATOM 0 HA SER A 82 16.052 6.830 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.394 8.571 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.849 9.283 0.896 1.00 0.00 H new ATOM 0 HG SER A 82 17.051 9.836 0.409 1.00 0.00 H new ATOM 1274 N VAL A 83 14.171 7.121 3.183 1.00 0.00 N ATOM 1275 CA VAL A 83 13.069 7.155 4.130 1.00 0.00 C ATOM 1276 C VAL A 83 12.535 8.585 4.233 1.00 0.00 C ATOM 1277 O VAL A 83 11.428 8.873 3.781 1.00 0.00 O ATOM 1278 CB VAL A 83 13.518 6.586 5.477 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.513 6.927 6.579 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.740 5.075 5.386 1.00 0.00 C ATOM 0 H VAL A 83 15.094 7.022 3.606 1.00 0.00 H new ATOM 0 HA VAL A 83 12.249 6.526 3.784 1.00 0.00 H new ATOM 0 HB VAL A 83 14.469 7.050 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.856 6.511 7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.425 8.010 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.540 6.504 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.059 4.695 6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.810 4.588 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.510 4.864 4.643 1.00 0.00 H new ATOM 1290 N GLU A 84 13.348 9.444 4.831 1.00 0.00 N ATOM 1291 CA GLU A 84 12.972 10.837 5.000 1.00 0.00 C ATOM 1292 C GLU A 84 12.720 11.488 3.638 1.00 0.00 C ATOM 1293 O GLU A 84 12.146 12.573 3.561 1.00 0.00 O ATOM 1294 CB GLU A 84 14.040 11.603 5.783 1.00 0.00 C ATOM 1295 CG GLU A 84 13.974 11.264 7.274 1.00 0.00 C ATOM 1296 CD GLU A 84 14.670 12.339 8.111 1.00 0.00 C ATOM 1297 OE1 GLU A 84 14.183 13.490 8.077 1.00 0.00 O ATOM 1298 OE2 GLU A 84 15.674 11.986 8.767 1.00 0.00 O ATOM 0 H GLU A 84 14.266 9.202 5.204 1.00 0.00 H new ATOM 0 HA GLU A 84 12.048 10.875 5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.028 11.357 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.900 12.675 5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.933 11.173 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.445 10.297 7.452 1.00 0.00 H new ATOM 1305 N GLY A 85 13.161 10.797 2.597 1.00 0.00 N ATOM 1306 CA GLY A 85 12.991 11.294 1.242 1.00 0.00 C ATOM 1307 C GLY A 85 11.712 10.738 0.611 1.00 0.00 C ATOM 1308 O GLY A 85 11.238 11.257 -0.398 1.00 0.00 O ATOM 0 H GLY A 85 13.636 9.897 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.952 12.383 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.852 11.012 0.636 1.00 0.00 H new ATOM 1312 N SER A 86 11.191 9.690 1.233 1.00 0.00 N ATOM 1313 CA SER A 86 9.977 9.059 0.745 1.00 0.00 C ATOM 1314 C SER A 86 8.750 9.810 1.267 1.00 0.00 C ATOM 1315 O SER A 86 8.858 10.615 2.190 1.00 0.00 O ATOM 1316 CB SER A 86 9.915 7.588 1.161 1.00 0.00 C ATOM 1317 OG SER A 86 10.530 6.735 0.199 1.00 0.00 O ATOM 0 H SER A 86 11.587 9.263 2.070 1.00 0.00 H new ATOM 0 HA SER A 86 9.985 9.101 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.408 7.463 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.874 7.293 1.295 1.00 0.00 H new ATOM 0 HG SER A 86 11.498 6.718 0.348 1.00 0.00 H new ATOM 1323 N SER A 87 7.613 9.519 0.653 1.00 0.00 N ATOM 1324 CA SER A 87 6.367 10.157 1.045 1.00 0.00 C ATOM 1325 C SER A 87 5.179 9.302 0.599 1.00 0.00 C ATOM 1326 O SER A 87 5.316 8.453 -0.280 1.00 0.00 O ATOM 1327 CB SER A 87 6.259 11.564 0.454 1.00 0.00 C ATOM 1328 OG SER A 87 7.528 12.209 0.377 1.00 0.00 O ATOM 0 H SER A 87 7.528 8.850 -0.113 1.00 0.00 H new ATOM 0 HA SER A 87 6.355 10.246 2.131 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.820 11.506 -0.542 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.584 12.163 1.065 1.00 0.00 H new ATOM 0 HG SER A 87 7.417 13.104 -0.007 1.00 0.00 H new ATOM 1334 N LYS A 88 4.040 9.556 1.226 1.00 0.00 N ATOM 1335 CA LYS A 88 2.828 8.821 0.904 1.00 0.00 C ATOM 1336 C LYS A 88 1.783 9.788 0.345 1.00 0.00 C ATOM 1337 O LYS A 88 1.686 10.929 0.793 1.00 0.00 O ATOM 1338 CB LYS A 88 2.345 8.028 2.120 1.00 0.00 C ATOM 1339 CG LYS A 88 0.847 7.732 2.021 1.00 0.00 C ATOM 1340 CD LYS A 88 0.035 8.732 2.846 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.131 8.040 3.555 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.312 8.930 3.601 1.00 0.00 N ATOM 0 H LYS A 88 3.930 10.260 1.955 1.00 0.00 H new ATOM 0 HA LYS A 88 3.025 8.082 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.900 7.093 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.549 8.591 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.532 7.775 0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.649 6.719 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.681 9.210 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.346 9.520 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.384 7.117 3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.836 7.764 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.160 8.396 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.434 9.296 4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.174 9.725 2.945 1.00 0.00 H new ATOM 1356 N LYS A 89 1.026 9.295 -0.625 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.008 10.101 -1.249 1.00 0.00 C ATOM 1358 C LYS A 89 -1.287 9.271 -1.378 1.00 0.00 C ATOM 1359 O LYS A 89 -1.245 8.044 -1.309 1.00 0.00 O ATOM 1360 CB LYS A 89 0.488 10.675 -2.578 1.00 0.00 C ATOM 1361 CG LYS A 89 1.113 12.058 -2.378 1.00 0.00 C ATOM 1362 CD LYS A 89 0.558 13.061 -3.391 1.00 0.00 C ATOM 1363 CE LYS A 89 1.063 12.754 -4.802 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.258 13.479 -5.810 1.00 0.00 N ATOM 0 H LYS A 89 1.109 8.347 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.247 10.962 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.222 10.000 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.342 10.745 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.912 12.409 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.196 11.991 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.532 13.032 -3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.854 14.071 -3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.111 13.041 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.010 11.681 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.614 13.259 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.737 13.185 -5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.330 14.503 -5.641 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.395 9.975 -1.562 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.684 9.318 -1.701 1.00 0.00 C ATOM 1380 C VAL A 90 -4.449 9.947 -2.867 1.00 0.00 C ATOM 1381 O VAL A 90 -4.481 11.169 -3.006 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.450 9.385 -0.378 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.887 8.890 -0.552 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.726 8.596 0.715 1.00 0.00 C ATOM 0 H VAL A 90 -2.427 10.993 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.551 8.261 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.491 10.429 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.410 8.948 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.400 9.513 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.876 7.856 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.291 8.660 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.640 7.552 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.730 9.013 0.866 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.046 9.084 -3.675 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.809 9.540 -4.825 1.00 0.00 C ATOM 1396 C LYS A 91 -7.246 9.028 -4.714 1.00 0.00 C ATOM 1397 O LYS A 91 -7.569 8.266 -3.803 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.111 9.135 -6.125 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.136 7.980 -5.888 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.534 7.492 -7.207 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.708 8.593 -7.874 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.302 8.970 -9.176 1.00 0.00 N ATOM 0 H LYS A 91 -5.017 8.071 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.859 10.629 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.855 8.841 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.574 9.990 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.339 8.303 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.654 7.158 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.905 6.621 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.331 7.173 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.661 9.466 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.684 8.249 -8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.729 9.718 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.324 8.139 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.271 9.318 -9.028 1.00 0.00 H new ATOM 1416 N THR A 92 -8.072 9.468 -5.652 1.00 0.00 N ATOM 1417 CA THR A 92 -9.467 9.064 -5.671 1.00 0.00 C ATOM 1418 C THR A 92 -9.581 7.538 -5.661 1.00 0.00 C ATOM 1419 O THR A 92 -9.095 6.870 -6.572 1.00 0.00 O ATOM 1420 CB THR A 92 -10.132 9.716 -6.885 1.00 0.00 C ATOM 1421 OG1 THR A 92 -10.063 11.112 -6.611 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.632 9.424 -6.958 1.00 0.00 C ATOM 0 H THR A 92 -7.801 10.101 -6.405 1.00 0.00 H new ATOM 0 HA THR A 92 -9.989 9.403 -4.776 1.00 0.00 H new ATOM 0 HB THR A 92 -9.649 9.363 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.471 11.611 -7.349 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.055 9.910 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.790 8.348 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.121 9.806 -6.062 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.226 7.032 -4.621 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.410 5.597 -4.480 1.00 0.00 C ATOM 1432 C ASP A 93 -9.092 4.885 -4.793 1.00 0.00 C ATOM 1433 O ASP A 93 -9.092 3.789 -5.352 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.470 5.080 -5.455 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.161 5.320 -6.934 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.239 4.643 -7.439 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -11.852 6.176 -7.527 1.00 0.00 O ATOM 0 H ASP A 93 -10.628 7.590 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.731 5.397 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.597 4.009 -5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.423 5.553 -5.217 1.00 0.00 H new ATOM 1442 N THR A 94 -8.001 5.538 -4.420 1.00 0.00 N ATOM 1443 CA THR A 94 -6.680 4.981 -4.654 1.00 0.00 C ATOM 1444 C THR A 94 -5.669 5.575 -3.671 1.00 0.00 C ATOM 1445 O THR A 94 -5.771 6.744 -3.300 1.00 0.00 O ATOM 1446 CB THR A 94 -6.317 5.224 -6.120 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.216 4.389 -6.843 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.933 4.680 -6.478 1.00 0.00 C ATOM 0 H THR A 94 -8.005 6.447 -3.958 1.00 0.00 H new ATOM 0 HA THR A 94 -6.667 3.906 -4.475 1.00 0.00 H new ATOM 0 HB THR A 94 -6.352 6.293 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.614 3.732 -6.234 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.725 4.879 -7.529 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.179 5.168 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.907 3.605 -6.300 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.716 4.744 -3.276 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.688 5.172 -2.344 1.00 0.00 C ATOM 1458 C VAL A 95 -2.328 5.152 -3.045 1.00 0.00 C ATOM 1459 O VAL A 95 -1.934 4.135 -3.614 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.724 4.300 -1.087 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.546 2.822 -1.440 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.671 4.754 -0.074 1.00 0.00 C ATOM 0 H VAL A 95 -4.634 3.775 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.872 6.196 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.704 4.418 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.575 2.224 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.349 2.508 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.586 2.680 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.718 4.118 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.680 4.680 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.864 5.788 0.213 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.649 6.288 -2.983 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.342 6.414 -3.605 1.00 0.00 C ATOM 1474 C LEU A 96 0.744 6.160 -2.558 1.00 0.00 C ATOM 1475 O LEU A 96 0.561 6.470 -1.381 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.212 7.766 -4.310 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.367 7.746 -5.832 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.162 9.040 -6.454 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.297 6.507 -6.435 1.00 0.00 C ATOM 0 H LEU A 96 -1.980 7.130 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.217 5.661 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.961 8.442 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.764 8.186 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.430 7.687 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.040 9.000 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.395 9.889 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.219 9.155 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.172 6.518 -7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.360 6.509 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.167 5.610 -6.025 1.00 0.00 H new ATOM 1491 N ILE A 97 1.850 5.598 -3.022 1.00 0.00 N ATOM 1492 CA ILE A 97 2.965 5.299 -2.140 1.00 0.00 C ATOM 1493 C ILE A 97 4.278 5.609 -2.862 1.00 0.00 C ATOM 1494 O ILE A 97 4.833 4.750 -3.545 1.00 0.00 O ATOM 1495 CB ILE A 97 2.870 3.861 -1.626 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.489 3.582 -1.030 1.00 0.00 C ATOM 1497 CG2 ILE A 97 3.995 3.559 -0.633 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.304 4.321 0.297 1.00 0.00 C ATOM 0 H ILE A 97 1.998 5.342 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 97 2.931 5.933 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 97 2.997 3.186 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.716 3.892 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.366 2.510 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.905 2.531 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.959 3.692 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.923 4.239 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.314 4.105 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.063 3.991 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.403 5.394 0.133 1.00 0.00 H new ATOM 1510 N LEU A 98 4.737 6.839 -2.685 1.00 0.00 N ATOM 1511 CA LEU A 98 5.974 7.273 -3.311 1.00 0.00 C ATOM 1512 C LEU A 98 7.162 6.699 -2.536 1.00 0.00 C ATOM 1513 O LEU A 98 7.205 6.781 -1.309 1.00 0.00 O ATOM 1514 CB LEU A 98 6.004 8.798 -3.441 1.00 0.00 C ATOM 1515 CG LEU A 98 4.868 9.423 -4.253 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.305 10.659 -3.548 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.323 9.736 -5.680 1.00 0.00 C ATOM 0 H LEU A 98 4.274 7.549 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 98 6.040 6.888 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.988 9.229 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.951 9.086 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 98 4.059 8.696 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.499 11.084 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.919 10.375 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.095 11.400 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.497 10.179 -6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.158 10.436 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.639 8.816 -6.171 1.00 0.00 H new ATOM 1529 N CYS A 99 8.096 6.131 -3.283 1.00 0.00 N ATOM 1530 CA CYS A 99 9.281 5.543 -2.681 1.00 0.00 C ATOM 1531 C CYS A 99 10.508 6.295 -3.202 1.00 0.00 C ATOM 1532 O CYS A 99 10.899 6.128 -4.356 1.00 0.00 O ATOM 1533 CB CYS A 99 9.372 4.041 -2.960 1.00 0.00 C ATOM 1534 SG CYS A 99 7.971 3.172 -2.165 1.00 0.00 S ATOM 0 H CYS A 99 8.057 6.065 -4.300 1.00 0.00 H new ATOM 0 HA CYS A 99 9.228 5.642 -1.597 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.360 3.861 -4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.316 3.649 -2.582 1.00 0.00 H new ATOM 0 HG CYS A 99 8.056 1.898 -2.409 1.00 0.00 H new ATOM 1540 N ARG A 100 11.081 7.106 -2.325 1.00 0.00 N ATOM 1541 CA ARG A 100 12.255 7.884 -2.682 1.00 0.00 C ATOM 1542 C ARG A 100 13.389 6.959 -3.130 1.00 0.00 C ATOM 1543 O ARG A 100 14.035 6.318 -2.303 1.00 0.00 O ATOM 1544 CB ARG A 100 12.734 8.732 -1.501 1.00 0.00 C ATOM 1545 CG ARG A 100 13.229 10.100 -1.974 1.00 0.00 C ATOM 1546 CD ARG A 100 12.312 10.671 -3.057 1.00 0.00 C ATOM 1547 NE ARG A 100 10.898 10.394 -2.721 1.00 0.00 N ATOM 1548 CZ ARG A 100 9.862 11.108 -3.183 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.076 12.146 -4.002 1.00 0.00 N ATOM 1550 NH2 ARG A 100 8.612 10.784 -2.824 1.00 0.00 N ATOM 0 H ARG A 100 10.754 7.241 -1.368 1.00 0.00 H new ATOM 0 HA ARG A 100 11.977 8.547 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.920 8.862 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.536 8.212 -0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.271 10.787 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.243 10.009 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.469 11.746 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.558 10.230 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 100 10.699 9.611 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.027 12.393 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.288 12.689 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.449 9.994 -2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.823 11.327 -3.175 1.00 0.00 H new ATOM 1564 N LYS A 101 13.596 6.920 -4.438 1.00 0.00 N ATOM 1565 CA LYS A 101 14.640 6.085 -5.005 1.00 0.00 C ATOM 1566 C LYS A 101 15.996 6.518 -4.444 1.00 0.00 C ATOM 1567 O LYS A 101 16.298 7.709 -4.392 1.00 0.00 O ATOM 1568 CB LYS A 101 14.572 6.107 -6.534 1.00 0.00 C ATOM 1569 CG LYS A 101 13.796 4.901 -7.066 1.00 0.00 C ATOM 1570 CD LYS A 101 14.282 4.508 -8.463 1.00 0.00 C ATOM 1571 CE LYS A 101 14.090 3.011 -8.709 1.00 0.00 C ATOM 1572 NZ LYS A 101 15.390 2.361 -8.990 1.00 0.00 N ATOM 0 H LYS A 101 13.058 7.453 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 101 14.493 5.044 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.093 7.028 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.581 6.105 -6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.916 4.058 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.732 5.135 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.736 5.077 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.336 4.766 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.627 2.550 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.411 2.858 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.288 1.330 -8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.696 2.599 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.101 2.697 -8.309 1.00 0.00 H new ATOM 1585 N LYS A 102 16.776 5.527 -4.037 1.00 0.00 N ATOM 1586 CA LYS A 102 18.092 5.791 -3.481 1.00 0.00 C ATOM 1587 C LYS A 102 19.027 6.261 -4.597 1.00 0.00 C ATOM 1588 O LYS A 102 19.874 7.126 -4.378 1.00 0.00 O ATOM 1589 CB LYS A 102 18.608 4.567 -2.721 1.00 0.00 C ATOM 1590 CG LYS A 102 19.943 4.868 -2.038 1.00 0.00 C ATOM 1591 CD LYS A 102 20.136 3.988 -0.801 1.00 0.00 C ATOM 1592 CE LYS A 102 21.587 4.036 -0.315 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.735 3.282 0.949 1.00 0.00 N ATOM 0 H LYS A 102 16.522 4.540 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 102 18.041 6.595 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.874 4.262 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.728 3.731 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.760 4.700 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.980 5.919 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.471 4.322 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.861 2.960 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.245 3.616 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.893 5.072 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.725 3.325 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.121 3.700 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.463 2.290 0.795 1.00 0.00 H new ATOM 1607 N VAL A 103 18.843 5.670 -5.768 1.00 0.00 N ATOM 1608 CA VAL A 103 19.659 6.018 -6.918 1.00 0.00 C ATOM 1609 C VAL A 103 18.806 5.944 -8.186 1.00 0.00 C ATOM 1610 O VAL A 103 18.250 4.893 -8.503 1.00 0.00 O ATOM 1611 CB VAL A 103 20.894 5.117 -6.975 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.696 3.862 -6.123 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.239 4.750 -8.420 1.00 0.00 C ATOM 0 H VAL A 103 18.140 4.952 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 103 20.023 7.042 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 103 21.735 5.674 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.588 3.239 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.521 4.150 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.838 3.302 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.121 4.109 -8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.400 4.221 -8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.443 5.658 -8.987 1.00 0.00 H new ATOM 1623 N GLU A 104 18.729 7.072 -8.876 1.00 0.00 N ATOM 1624 CA GLU A 104 17.952 7.148 -10.102 1.00 0.00 C ATOM 1625 C GLU A 104 18.604 6.299 -11.196 1.00 0.00 C ATOM 1626 O GLU A 104 19.699 5.772 -11.008 1.00 0.00 O ATOM 1627 CB GLU A 104 17.788 8.599 -10.558 1.00 0.00 C ATOM 1628 CG GLU A 104 17.334 9.489 -9.400 1.00 0.00 C ATOM 1629 CD GLU A 104 18.528 10.185 -8.743 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.131 11.042 -9.424 1.00 0.00 O ATOM 1631 OE2 GLU A 104 18.810 9.843 -7.574 1.00 0.00 O ATOM 0 H GLU A 104 19.192 7.941 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 104 16.957 6.750 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.733 8.968 -10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.060 8.650 -11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.629 10.236 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.806 8.888 -8.660 1.00 0.00 H new ATOM 1638 N ASN A 105 17.903 6.194 -12.316 1.00 0.00 N ATOM 1639 CA ASN A 105 18.399 5.419 -13.440 1.00 0.00 C ATOM 1640 C ASN A 105 18.563 3.959 -13.014 1.00 0.00 C ATOM 1641 O ASN A 105 19.611 3.357 -13.242 1.00 0.00 O ATOM 1642 CB ASN A 105 19.764 5.933 -13.903 1.00 0.00 C ATOM 1643 CG ASN A 105 19.607 7.093 -14.889 1.00 0.00 C ATOM 1644 OD1 ASN A 105 19.863 6.971 -16.076 1.00 0.00 O ATOM 1645 ND2 ASN A 105 19.174 8.221 -14.333 1.00 0.00 N ATOM 0 H ASN A 105 16.995 6.633 -12.469 1.00 0.00 H new ATOM 0 HA ASN A 105 17.683 5.512 -14.256 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.345 6.260 -13.041 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.321 5.123 -14.374 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.037 9.053 -14.907 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.979 8.254 -13.332 1.00 0.00 H new ATOM 1652 N THR A 106 17.512 3.432 -12.404 1.00 0.00 N ATOM 1653 CA THR A 106 17.527 2.054 -11.944 1.00 0.00 C ATOM 1654 C THR A 106 16.167 1.396 -12.189 1.00 0.00 C ATOM 1655 O THR A 106 15.134 1.930 -11.790 1.00 0.00 O ATOM 1656 CB THR A 106 17.947 2.050 -10.473 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.370 1.978 -10.519 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.532 0.768 -9.749 1.00 0.00 C ATOM 0 H THR A 106 16.644 3.935 -12.218 1.00 0.00 H new ATOM 0 HA THR A 106 18.248 1.458 -12.504 1.00 0.00 H new ATOM 0 HB THR A 106 17.508 2.910 -9.968 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.686 2.308 -11.386 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.854 0.817 -8.709 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.448 0.663 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 106 17.998 -0.090 -10.233 1.00 0.00 H new ATOM 1666 N ARG A 107 16.213 0.245 -12.845 1.00 0.00 N ATOM 1667 CA ARG A 107 14.997 -0.492 -13.148 1.00 0.00 C ATOM 1668 C ARG A 107 14.623 -1.403 -11.977 1.00 0.00 C ATOM 1669 O ARG A 107 15.488 -1.815 -11.206 1.00 0.00 O ATOM 1670 CB ARG A 107 15.168 -1.339 -14.410 1.00 0.00 C ATOM 1671 CG ARG A 107 13.939 -1.228 -15.316 1.00 0.00 C ATOM 1672 CD ARG A 107 14.227 -1.801 -16.704 1.00 0.00 C ATOM 1673 NE ARG A 107 14.476 -0.702 -17.664 1.00 0.00 N ATOM 1674 CZ ARG A 107 14.828 -0.887 -18.944 1.00 0.00 C ATOM 1675 NH1 ARG A 107 14.974 -2.129 -19.425 1.00 0.00 N ATOM 1676 NH2 ARG A 107 15.033 0.169 -19.742 1.00 0.00 N ATOM 0 H ARG A 107 17.072 -0.195 -13.175 1.00 0.00 H new ATOM 0 HA ARG A 107 14.201 0.234 -13.316 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.055 -1.014 -14.953 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.328 -2.381 -14.134 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.102 -1.761 -14.865 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.641 -0.183 -15.405 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.093 -2.461 -16.661 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.383 -2.404 -17.040 1.00 0.00 H new ATOM 0 HE ARG A 107 14.373 0.256 -17.330 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.817 -2.933 -18.817 1.00 0.00 H new ATOM 0 HH12 ARG A 107 15.242 -2.270 -20.399 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.921 1.114 -19.376 1.00 0.00 H new ATOM 0 HH22 ARG A 107 15.301 0.028 -20.716 1.00 0.00 H new ATOM 1690 N TRP A 108 13.333 -1.689 -11.881 1.00 0.00 N ATOM 1691 CA TRP A 108 12.834 -2.544 -10.817 1.00 0.00 C ATOM 1692 C TRP A 108 12.114 -3.730 -11.462 1.00 0.00 C ATOM 1693 O TRP A 108 10.916 -3.663 -11.729 1.00 0.00 O ATOM 1694 CB TRP A 108 11.943 -1.756 -9.854 1.00 0.00 C ATOM 1695 CG TRP A 108 12.717 -0.945 -8.813 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.863 -0.271 -8.978 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.351 -0.747 -7.431 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.262 0.343 -7.808 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.312 0.044 -6.837 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.243 -1.222 -6.706 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.264 0.431 -5.493 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.210 -0.827 -5.364 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.170 -0.030 -4.751 1.00 0.00 C ATOM 0 H TRP A 108 12.618 -1.344 -12.522 1.00 0.00 H new ATOM 0 HA TRP A 108 13.656 -2.924 -10.210 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.312 -1.080 -10.430 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.279 -2.450 -9.339 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.406 -0.215 -9.910 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.099 0.911 -7.679 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.478 -1.842 -7.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.030 1.052 -5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.380 -1.165 -4.762 1.00 0.00 H new ATOM 0 HH2 TRP A 108 12.072 0.232 -3.708 1.00 0.00 H new ATOM 1714 N ASP A 109 12.877 -4.789 -11.693 1.00 0.00 N ATOM 1715 CA ASP A 109 12.327 -5.989 -12.301 1.00 0.00 C ATOM 1716 C ASP A 109 11.128 -6.468 -11.481 1.00 0.00 C ATOM 1717 O ASP A 109 10.279 -7.201 -11.985 1.00 0.00 O ATOM 1718 CB ASP A 109 13.362 -7.115 -12.329 1.00 0.00 C ATOM 1719 CG ASP A 109 14.654 -6.789 -13.081 1.00 0.00 C ATOM 1720 OD1 ASP A 109 15.383 -5.897 -12.595 1.00 0.00 O ATOM 1721 OD2 ASP A 109 14.883 -7.438 -14.124 1.00 0.00 O ATOM 0 H ASP A 109 13.871 -4.841 -11.470 1.00 0.00 H new ATOM 0 HA ASP A 109 12.031 -5.745 -13.321 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.614 -7.381 -11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.907 -7.995 -12.784 1.00 0.00 H new ATOM 1726 N TYR A 110 11.096 -6.034 -10.229 1.00 0.00 N ATOM 1727 CA TYR A 110 10.015 -6.409 -9.334 1.00 0.00 C ATOM 1728 C TYR A 110 9.949 -5.468 -8.130 1.00 0.00 C ATOM 1729 O TYR A 110 10.948 -4.850 -7.764 1.00 0.00 O ATOM 1730 CB TYR A 110 10.344 -7.821 -8.845 1.00 0.00 C ATOM 1731 CG TYR A 110 10.480 -8.853 -9.966 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.350 -9.378 -10.560 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.731 -9.257 -10.384 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.478 -10.349 -11.616 1.00 0.00 C ATOM 1735 CE2 TYR A 110 11.859 -10.228 -11.440 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.726 -10.726 -12.004 1.00 0.00 C ATOM 1737 OH TYR A 110 10.846 -11.643 -13.001 1.00 0.00 O ATOM 0 H TYR A 110 11.802 -5.426 -9.814 1.00 0.00 H new ATOM 0 HA TYR A 110 9.055 -6.357 -9.848 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.275 -7.790 -8.279 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.563 -8.147 -8.158 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.371 -9.061 -10.233 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.615 -8.845 -9.919 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.603 -10.768 -12.089 1.00 0.00 H new ATOM 0 HE2 TYR A 110 12.832 -10.553 -11.776 1.00 0.00 H new ATOM 0 HH TYR A 110 11.795 -11.816 -13.174 1.00 0.00 H new ATOM 1747 N LEU A 111 8.761 -5.387 -7.547 1.00 0.00 N ATOM 1748 CA LEU A 111 8.551 -4.531 -6.392 1.00 0.00 C ATOM 1749 C LEU A 111 9.469 -4.983 -5.255 1.00 0.00 C ATOM 1750 O LEU A 111 10.041 -4.154 -4.548 1.00 0.00 O ATOM 1751 CB LEU A 111 7.070 -4.500 -6.011 1.00 0.00 C ATOM 1752 CG LEU A 111 6.504 -3.131 -5.629 1.00 0.00 C ATOM 1753 CD1 LEU A 111 5.093 -3.262 -5.053 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.447 -2.395 -4.675 1.00 0.00 C ATOM 0 H LEU A 111 7.935 -5.900 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 111 8.818 -3.501 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.492 -4.889 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.916 -5.181 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 111 6.427 -2.529 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.714 -2.274 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.437 -3.716 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.121 -3.889 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.021 -1.425 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.579 -2.984 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.414 -2.251 -5.158 1.00 0.00 H new ATOM 1766 N THR A 112 9.582 -6.295 -5.113 1.00 0.00 N ATOM 1767 CA THR A 112 10.421 -6.866 -4.073 1.00 0.00 C ATOM 1768 C THR A 112 11.365 -7.915 -4.666 1.00 0.00 C ATOM 1769 O THR A 112 11.235 -8.284 -5.832 1.00 0.00 O ATOM 1770 CB THR A 112 9.506 -7.421 -2.980 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.495 -8.124 -3.696 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.743 -6.321 -2.240 1.00 0.00 C ATOM 0 H THR A 112 9.106 -6.979 -5.701 1.00 0.00 H new ATOM 0 HA THR A 112 11.066 -6.110 -3.625 1.00 0.00 H new ATOM 0 HB THR A 112 10.100 -7.993 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.859 -8.518 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.109 -6.769 -1.475 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.452 -5.640 -1.770 1.00 0.00 H new ATOM 0 HG23 THR A 112 8.124 -5.769 -2.947 1.00 0.00 H new