USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=29 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 54 THR OG1 : rot 10:sc=-0.00997 USER MOD Set 1.2: A 57 SER OG : rot -49:sc= 0.843 USER MOD Single : A 17 THR OG1 : rot 49:sc= 0.786 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= -0.456 K(o=-0.46,f=-2.9!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -5.65! C(o=-5.6!,f=-13!) 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 165:sc= -1.41 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 42 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-1.4) USER MOD Single : A 43 GLN : amide:sc=-0.00779 X(o=-0.0078,f=-0.26) USER MOD Single : A 46 THR OG1 : rot -26:sc= 0.467 USER MOD Single : A 48 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.1!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 52 HIS : no HE2:sc= -0.216 K(o=-0.22,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.386 F(o=-1.1,f=-0.39) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -170:sc= -1.72 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 71 SER OG : rot -45:sc= 1.13 USER MOD Single : A 72 MET CE :methyl -129:sc= -9.01! (180deg=-13.6!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.342 F(o=-1.7,f=-0.34) USER MOD Single : A 76 ASN : amide:sc= -3.71! C(o=-3.7!,f=-5.8!) 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 61:sc= 1.35 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0721 USER MOD Single : A 88 LYS NZ :NH3+ -129:sc= -0.126 (180deg=-0.59) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.164) 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 180:sc= -0.346 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -153:sc= 1.05 (180deg=-0.827) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc=-0.00811 X(o=-0.0081,f=0) USER MOD Single : A 106 THR OG1 : rot 66:sc= 0.361 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 -8.243 -6.540 9.595 1.00 0.00 N ATOM 198 CA THR A 17 -7.955 -5.691 8.452 1.00 0.00 C ATOM 199 C THR A 17 -7.833 -6.532 7.180 1.00 0.00 C ATOM 200 O THR A 17 -7.391 -7.679 7.230 1.00 0.00 O ATOM 201 CB THR A 17 -6.695 -4.883 8.770 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.666 -4.829 10.193 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.816 -3.418 8.344 1.00 0.00 C ATOM 0 HA THR A 17 -8.769 -4.991 8.264 1.00 0.00 H new ATOM 0 HB THR A 17 -5.838 -5.337 8.272 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.802 -5.728 10.557 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.895 -2.890 8.592 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.986 -3.365 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.653 -2.955 8.867 1.00 0.00 H new ATOM 211 N VAL A 18 -8.232 -5.929 6.070 1.00 0.00 N ATOM 212 CA VAL A 18 -8.174 -6.608 4.787 1.00 0.00 C ATOM 213 C VAL A 18 -6.726 -6.628 4.291 1.00 0.00 C ATOM 214 O VAL A 18 -5.944 -5.734 4.612 1.00 0.00 O ATOM 215 CB VAL A 18 -9.135 -5.944 3.799 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.827 -6.373 2.362 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.590 -6.247 4.162 1.00 0.00 C ATOM 0 H VAL A 18 -8.597 -4.977 6.033 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.498 -7.644 4.888 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.991 -4.866 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.524 -5.887 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.808 -6.083 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.929 -7.455 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.252 -5.763 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.754 -7.324 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.802 -5.870 5.162 1.00 0.00 H new ATOM 227 N LYS A 19 -6.414 -7.656 3.517 1.00 0.00 N ATOM 228 CA LYS A 19 -5.074 -7.804 2.973 1.00 0.00 C ATOM 229 C LYS A 19 -5.082 -7.413 1.494 1.00 0.00 C ATOM 230 O LYS A 19 -5.766 -8.040 0.686 1.00 0.00 O ATOM 231 CB LYS A 19 -4.543 -9.215 3.233 1.00 0.00 C ATOM 232 CG LYS A 19 -3.379 -9.189 4.225 1.00 0.00 C ATOM 233 CD LYS A 19 -2.712 -10.563 4.325 1.00 0.00 C ATOM 234 CE LYS A 19 -1.272 -10.512 3.810 1.00 0.00 C ATOM 235 NZ LYS A 19 -0.619 -11.831 3.967 1.00 0.00 N ATOM 0 H LYS A 19 -7.066 -8.395 3.253 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.382 -7.130 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.344 -9.843 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.216 -9.663 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.645 -8.447 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.740 -8.884 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.720 -10.900 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.283 -11.291 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.265 -10.219 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.711 -9.754 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.357 -11.779 3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.609 -12.096 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.146 -12.546 3.426 1.00 0.00 H new ATOM 249 N ILE A 20 -4.315 -6.379 1.184 1.00 0.00 N ATOM 250 CA ILE A 20 -4.225 -5.896 -0.183 1.00 0.00 C ATOM 251 C ILE A 20 -3.304 -6.819 -0.985 1.00 0.00 C ATOM 252 O ILE A 20 -2.084 -6.668 -0.948 1.00 0.00 O ATOM 253 CB ILE A 20 -3.796 -4.428 -0.207 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.631 -3.597 0.770 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.848 -3.864 -1.628 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.192 -2.132 0.759 1.00 0.00 C ATOM 0 H ILE A 20 -3.749 -5.862 1.857 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.204 -5.925 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.759 -4.370 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.685 -3.666 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.530 -4.003 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.538 -2.819 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.177 -4.434 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.866 -3.936 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.802 -1.564 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.144 -2.064 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.317 -1.722 -0.243 1.00 0.00 H new ATOM 268 N SER A 21 -3.924 -7.753 -1.692 1.00 0.00 N ATOM 269 CA SER A 21 -3.176 -8.699 -2.501 1.00 0.00 C ATOM 270 C SER A 21 -2.785 -8.054 -3.832 1.00 0.00 C ATOM 271 O SER A 21 -1.601 -7.891 -4.123 1.00 0.00 O ATOM 272 CB SER A 21 -3.984 -9.975 -2.746 1.00 0.00 C ATOM 273 OG SER A 21 -3.799 -10.932 -1.707 1.00 0.00 O ATOM 0 H SER A 21 -4.936 -7.874 -1.721 1.00 0.00 H new ATOM 0 HA SER A 21 -2.272 -8.973 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.042 -9.725 -2.824 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.689 -10.413 -3.699 1.00 0.00 H new ATOM 0 HG SER A 21 -4.333 -11.731 -1.900 1.00 0.00 H new ATOM 279 N ASN A 22 -3.803 -7.706 -4.606 1.00 0.00 N ATOM 280 CA ASN A 22 -3.580 -7.083 -5.900 1.00 0.00 C ATOM 281 C ASN A 22 -3.366 -5.580 -5.707 1.00 0.00 C ATOM 282 O ASN A 22 -4.239 -4.886 -5.188 1.00 0.00 O ATOM 283 CB ASN A 22 -4.789 -7.274 -6.818 1.00 0.00 C ATOM 284 CG ASN A 22 -4.372 -7.903 -8.149 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.262 -8.380 -8.319 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.321 -7.877 -9.080 1.00 0.00 N ATOM 0 H ASN A 22 -4.784 -7.844 -4.362 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.705 -7.549 -6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.527 -7.909 -6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.267 -6.312 -7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.141 -8.272 -10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.229 -7.462 -8.871 1.00 0.00 H new ATOM 293 N TYR A 23 -2.199 -5.121 -6.136 1.00 0.00 N ATOM 294 CA TYR A 23 -1.859 -3.714 -6.017 1.00 0.00 C ATOM 295 C TYR A 23 -0.935 -3.275 -7.154 1.00 0.00 C ATOM 296 O TYR A 23 0.102 -3.894 -7.390 1.00 0.00 O ATOM 297 CB TYR A 23 -1.116 -3.570 -4.687 1.00 0.00 C ATOM 298 CG TYR A 23 0.111 -4.476 -4.559 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.302 -4.114 -5.154 1.00 0.00 C ATOM 300 CD2 TYR A 23 0.026 -5.656 -3.848 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.456 -4.966 -5.034 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.180 -6.509 -3.728 1.00 0.00 C ATOM 303 CZ TYR A 23 2.338 -6.122 -4.326 1.00 0.00 C ATOM 304 OH TYR A 23 3.428 -6.927 -4.212 1.00 0.00 O ATOM 0 H TYR A 23 -1.477 -5.699 -6.566 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.757 -3.097 -6.063 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.803 -2.533 -4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.805 -3.791 -3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.369 -3.191 -5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.906 -5.940 -3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.394 -4.694 -5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.127 -7.435 -3.175 1.00 0.00 H new ATOM 0 HH TYR A 23 3.197 -7.716 -3.679 1.00 0.00 H new ATOM 314 N GLY A 24 -1.344 -2.211 -7.830 1.00 0.00 N ATOM 315 CA GLY A 24 -0.565 -1.683 -8.937 1.00 0.00 C ATOM 316 C GLY A 24 0.673 -0.939 -8.431 1.00 0.00 C ATOM 317 O GLY A 24 0.604 -0.215 -7.439 1.00 0.00 O ATOM 0 H GLY A 24 -2.205 -1.701 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.261 -2.498 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.182 -1.008 -9.531 1.00 0.00 H new ATOM 321 N TRP A 25 1.776 -1.145 -9.136 1.00 0.00 N ATOM 322 CA TRP A 25 3.027 -0.503 -8.770 1.00 0.00 C ATOM 323 C TRP A 25 3.818 -0.245 -10.054 1.00 0.00 C ATOM 324 O TRP A 25 3.778 -1.048 -10.985 1.00 0.00 O ATOM 325 CB TRP A 25 3.798 -1.345 -7.752 1.00 0.00 C ATOM 326 CG TRP A 25 4.411 -2.620 -8.335 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.911 -3.863 -8.308 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.667 -2.726 -9.038 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.749 -4.759 -8.939 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.851 -4.046 -9.397 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.616 -1.740 -9.360 1.00 0.00 C ATOM 332 CZ2 TRP A 25 6.975 -4.501 -10.097 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.734 -2.211 -10.059 1.00 0.00 C ATOM 334 CH2 TRP A 25 7.934 -3.536 -10.428 1.00 0.00 C ATOM 0 H TRP A 25 1.829 -1.747 -9.958 1.00 0.00 H new ATOM 0 HA TRP A 25 2.842 0.451 -8.277 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.593 -0.737 -7.320 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.126 -1.617 -6.938 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.970 -4.130 -7.850 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.589 -5.760 -9.049 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.492 -0.702 -9.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.096 -5.540 -10.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.495 -1.494 -10.331 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.825 -3.820 -10.968 1.00 0.00 H new ATOM 345 N ASP A 26 4.520 0.879 -10.063 1.00 0.00 N ATOM 346 CA ASP A 26 5.320 1.253 -11.218 1.00 0.00 C ATOM 347 C ASP A 26 6.653 1.833 -10.742 1.00 0.00 C ATOM 348 O ASP A 26 6.865 2.011 -9.544 1.00 0.00 O ATOM 349 CB ASP A 26 4.612 2.319 -12.056 1.00 0.00 C ATOM 350 CG ASP A 26 3.214 1.935 -12.545 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.545 1.176 -11.812 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.847 2.408 -13.643 1.00 0.00 O ATOM 0 H ASP A 26 4.552 1.543 -9.289 1.00 0.00 H new ATOM 0 HA ASP A 26 5.474 0.361 -11.825 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.536 3.232 -11.466 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.232 2.550 -12.922 1.00 0.00 H new ATOM 357 N GLN A 27 7.517 2.113 -11.707 1.00 0.00 N ATOM 358 CA GLN A 27 8.824 2.670 -11.402 1.00 0.00 C ATOM 359 C GLN A 27 9.334 3.504 -12.580 1.00 0.00 C ATOM 360 O GLN A 27 9.085 3.168 -13.736 1.00 0.00 O ATOM 361 CB GLN A 27 9.820 1.566 -11.042 1.00 0.00 C ATOM 362 CG GLN A 27 10.133 0.691 -12.257 1.00 0.00 C ATOM 363 CD GLN A 27 9.117 -0.445 -12.392 1.00 0.00 C ATOM 364 OE1 GLN A 27 7.914 -0.240 -12.388 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.665 -1.650 -12.510 1.00 0.00 N ATOM 0 H GLN A 27 7.338 1.965 -12.700 1.00 0.00 H new ATOM 0 HA GLN A 27 8.725 3.323 -10.535 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.740 2.011 -10.663 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.411 0.950 -10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.124 1.301 -13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.137 0.276 -12.162 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.680 -1.751 -12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.071 -2.474 -12.605 1.00 0.00 H new ATOM 374 N SER A 28 10.036 4.576 -12.244 1.00 0.00 N ATOM 375 CA SER A 28 10.583 5.461 -13.259 1.00 0.00 C ATOM 376 C SER A 28 11.986 5.918 -12.854 1.00 0.00 C ATOM 377 O SER A 28 12.316 5.945 -11.670 1.00 0.00 O ATOM 378 CB SER A 28 9.674 6.671 -13.481 1.00 0.00 C ATOM 379 OG SER A 28 8.410 6.297 -14.022 1.00 0.00 O ATOM 0 H SER A 28 10.239 4.852 -11.283 1.00 0.00 H new ATOM 0 HA SER A 28 10.645 4.909 -14.197 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.524 7.190 -12.534 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.164 7.373 -14.156 1.00 0.00 H new ATOM 0 HG SER A 28 7.858 7.097 -14.148 1.00 0.00 H new ATOM 385 N ASP A 29 12.773 6.266 -13.861 1.00 0.00 N ATOM 386 CA ASP A 29 14.133 6.720 -13.625 1.00 0.00 C ATOM 387 C ASP A 29 14.098 8.033 -12.840 1.00 0.00 C ATOM 388 O ASP A 29 14.287 9.106 -13.409 1.00 0.00 O ATOM 389 CB ASP A 29 14.864 6.978 -14.944 1.00 0.00 C ATOM 390 CG ASP A 29 15.029 5.751 -15.843 1.00 0.00 C ATOM 391 OD1 ASP A 29 14.601 4.663 -15.402 1.00 0.00 O ATOM 392 OD2 ASP A 29 15.579 5.929 -16.951 1.00 0.00 O ATOM 0 H ASP A 29 12.495 6.243 -14.842 1.00 0.00 H new ATOM 0 HA ASP A 29 14.656 5.943 -13.068 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.323 7.745 -15.498 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.852 7.382 -14.722 1.00 0.00 H new ATOM 397 N LYS A 30 13.856 7.903 -11.544 1.00 0.00 N ATOM 398 CA LYS A 30 13.794 9.065 -10.674 1.00 0.00 C ATOM 399 C LYS A 30 13.265 8.643 -9.302 1.00 0.00 C ATOM 400 O LYS A 30 13.910 8.885 -8.283 1.00 0.00 O ATOM 401 CB LYS A 30 12.980 10.182 -11.329 1.00 0.00 C ATOM 402 CG LYS A 30 13.881 11.347 -11.744 1.00 0.00 C ATOM 403 CD LYS A 30 13.143 12.304 -12.683 1.00 0.00 C ATOM 404 CE LYS A 30 13.173 11.791 -14.124 1.00 0.00 C ATOM 405 NZ LYS A 30 13.209 12.923 -15.076 1.00 0.00 N ATOM 0 H LYS A 30 13.700 7.011 -11.075 1.00 0.00 H new ATOM 0 HA LYS A 30 14.791 9.477 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.458 9.792 -12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.218 10.536 -10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.215 11.887 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.773 10.963 -12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.110 12.416 -12.355 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.602 13.292 -12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.046 11.156 -14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.294 11.175 -14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.229 12.557 -16.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.363 13.514 -14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.060 13.495 -14.903 1.00 0.00 H new ATOM 419 N PHE A 31 12.097 8.019 -9.320 1.00 0.00 N ATOM 420 CA PHE A 31 11.474 7.560 -8.090 1.00 0.00 C ATOM 421 C PHE A 31 10.502 6.411 -8.363 1.00 0.00 C ATOM 422 O PHE A 31 10.165 6.138 -9.514 1.00 0.00 O ATOM 423 CB PHE A 31 10.696 8.745 -7.514 1.00 0.00 C ATOM 424 CG PHE A 31 11.523 10.025 -7.377 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.518 10.096 -6.453 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.262 11.092 -8.178 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.286 11.284 -6.326 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.029 12.280 -8.051 1.00 0.00 C ATOM 429 CZ PHE A 31 13.025 12.351 -7.127 1.00 0.00 C ATOM 0 H PHE A 31 11.565 7.820 -10.167 1.00 0.00 H new ATOM 0 HA PHE A 31 12.236 7.199 -7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.836 8.947 -8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.307 8.469 -6.534 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.724 9.249 -5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.471 11.036 -8.911 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.077 11.340 -5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.822 13.127 -8.688 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.608 13.255 -7.030 1.00 0.00 H new ATOM 439 N VAL A 32 10.078 5.768 -7.285 1.00 0.00 N ATOM 440 CA VAL A 32 9.151 4.655 -7.393 1.00 0.00 C ATOM 441 C VAL A 32 7.887 4.968 -6.590 1.00 0.00 C ATOM 442 O VAL A 32 7.959 5.589 -5.530 1.00 0.00 O ATOM 443 CB VAL A 32 9.835 3.360 -6.951 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.823 2.217 -6.837 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.975 2.990 -7.902 1.00 0.00 C ATOM 0 H VAL A 32 10.360 5.997 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 32 8.848 4.510 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 32 10.264 3.528 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.335 1.308 -6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.061 2.478 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.352 2.050 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.444 2.066 -7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.579 2.850 -8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.715 3.790 -7.912 1.00 0.00 H new ATOM 455 N LYS A 33 6.759 4.524 -7.124 1.00 0.00 N ATOM 456 CA LYS A 33 5.481 4.749 -6.469 1.00 0.00 C ATOM 457 C LYS A 33 4.565 3.550 -6.722 1.00 0.00 C ATOM 458 O LYS A 33 4.764 2.804 -7.679 1.00 0.00 O ATOM 459 CB LYS A 33 4.881 6.085 -6.911 1.00 0.00 C ATOM 460 CG LYS A 33 4.428 6.026 -8.372 1.00 0.00 C ATOM 461 CD LYS A 33 4.757 7.330 -9.101 1.00 0.00 C ATOM 462 CE LYS A 33 3.663 8.376 -8.874 1.00 0.00 C ATOM 463 NZ LYS A 33 4.099 9.699 -9.377 1.00 0.00 N ATOM 0 H LYS A 33 6.703 4.009 -8.003 1.00 0.00 H new ATOM 0 HA LYS A 33 5.614 4.827 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.033 6.336 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.619 6.878 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.916 5.191 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.355 5.841 -8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.713 7.716 -8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.865 7.137 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.748 8.070 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.430 8.443 -7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.345 10.397 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.960 9.995 -8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.299 9.635 -10.396 1.00 0.00 H new ATOM 477 N ILE A 34 3.582 3.402 -5.846 1.00 0.00 N ATOM 478 CA ILE A 34 2.635 2.306 -5.962 1.00 0.00 C ATOM 479 C ILE A 34 1.211 2.865 -5.941 1.00 0.00 C ATOM 480 O ILE A 34 0.936 3.850 -5.259 1.00 0.00 O ATOM 481 CB ILE A 34 2.899 1.254 -4.883 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.301 0.659 -5.028 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.815 0.174 -4.894 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.260 1.257 -3.996 1.00 0.00 C ATOM 0 H ILE A 34 3.421 4.023 -5.053 1.00 0.00 H new ATOM 0 HA ILE A 34 2.762 1.791 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 34 2.856 1.744 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.255 -0.423 -4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.678 0.848 -6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.026 -0.561 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.844 0.631 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.802 -0.318 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.249 0.817 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.322 2.336 -4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.893 1.045 -2.992 1.00 0.00 H new ATOM 496 N TYR A 35 0.342 2.210 -6.698 1.00 0.00 N ATOM 497 CA TYR A 35 -1.047 2.629 -6.775 1.00 0.00 C ATOM 498 C TYR A 35 -1.988 1.480 -6.403 1.00 0.00 C ATOM 499 O TYR A 35 -2.082 0.491 -7.128 1.00 0.00 O ATOM 500 CB TYR A 35 -1.290 3.018 -8.234 1.00 0.00 C ATOM 501 CG TYR A 35 -0.083 3.668 -8.914 1.00 0.00 C ATOM 502 CD1 TYR A 35 0.957 2.884 -9.371 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.034 5.039 -9.070 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.093 3.496 -10.010 1.00 0.00 C ATOM 505 CE2 TYR A 35 1.102 5.651 -9.709 1.00 0.00 C ATOM 506 CZ TYR A 35 2.109 4.849 -10.148 1.00 0.00 C ATOM 507 OH TYR A 35 3.182 5.427 -10.752 1.00 0.00 O ATOM 0 H TYR A 35 0.573 1.393 -7.263 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.238 3.451 -6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.574 2.127 -8.794 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.134 3.706 -8.280 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.919 1.812 -9.249 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.848 5.652 -8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.914 2.894 -10.372 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.153 6.722 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 35 2.961 6.350 -10.997 1.00 0.00 H new ATOM 517 N ILE A 36 -2.659 1.650 -5.273 1.00 0.00 N ATOM 518 CA ILE A 36 -3.588 0.640 -4.796 1.00 0.00 C ATOM 519 C ILE A 36 -5.016 1.182 -4.890 1.00 0.00 C ATOM 520 O ILE A 36 -5.246 2.374 -4.690 1.00 0.00 O ATOM 521 CB ILE A 36 -3.198 0.174 -3.392 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.810 -0.469 -3.394 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.262 -0.760 -2.809 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.821 0.362 -2.573 1.00 0.00 C ATOM 0 H ILE A 36 -2.578 2.472 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.542 -0.248 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.147 1.049 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.871 -1.477 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.450 -0.562 -4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.960 -1.077 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.215 -0.234 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.369 -1.635 -3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.158 -0.116 -2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.744 1.362 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.172 0.433 -1.544 1.00 0.00 H new ATOM 536 N THR A 37 -5.938 0.281 -5.194 1.00 0.00 N ATOM 537 CA THR A 37 -7.337 0.654 -5.317 1.00 0.00 C ATOM 538 C THR A 37 -8.050 0.499 -3.972 1.00 0.00 C ATOM 539 O THR A 37 -8.348 -0.617 -3.548 1.00 0.00 O ATOM 540 CB THR A 37 -7.955 -0.191 -6.433 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.452 0.395 -7.631 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.471 -0.006 -6.537 1.00 0.00 C ATOM 0 H THR A 37 -5.744 -0.707 -5.359 1.00 0.00 H new ATOM 0 HA THR A 37 -7.444 1.704 -5.587 1.00 0.00 H new ATOM 0 HB THR A 37 -7.728 -1.243 -6.259 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.802 -0.093 -8.406 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.859 -0.628 -7.344 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.939 -0.298 -5.597 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.697 1.040 -6.744 1.00 0.00 H new ATOM 550 N LEU A 38 -8.303 1.635 -3.339 1.00 0.00 N ATOM 551 CA LEU A 38 -8.976 1.640 -2.051 1.00 0.00 C ATOM 552 C LEU A 38 -10.042 2.737 -2.041 1.00 0.00 C ATOM 553 O LEU A 38 -9.730 3.909 -1.837 1.00 0.00 O ATOM 554 CB LEU A 38 -7.957 1.762 -0.915 1.00 0.00 C ATOM 555 CG LEU A 38 -8.222 0.896 0.319 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.717 0.616 0.481 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.399 -0.393 0.271 1.00 0.00 C ATOM 0 H LEU A 38 -8.054 2.558 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.491 0.694 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.972 1.508 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.916 2.805 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.901 1.450 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.878 -0.001 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.254 1.558 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.086 0.091 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.606 -0.990 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.666 -0.962 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.338 -0.146 0.239 1.00 0.00 H new ATOM 569 N THR A 39 -11.279 2.318 -2.264 1.00 0.00 N ATOM 570 CA THR A 39 -12.393 3.250 -2.284 1.00 0.00 C ATOM 571 C THR A 39 -12.722 3.717 -0.864 1.00 0.00 C ATOM 572 O THR A 39 -12.990 2.900 0.015 1.00 0.00 O ATOM 573 CB THR A 39 -13.568 2.568 -2.987 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.311 2.776 -4.373 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.895 3.289 -2.742 1.00 0.00 C ATOM 0 H THR A 39 -11.534 1.345 -2.432 1.00 0.00 H new ATOM 0 HA THR A 39 -12.143 4.153 -2.841 1.00 0.00 H new ATOM 0 HB THR A 39 -13.647 1.536 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.024 2.364 -4.903 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.696 2.764 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.108 3.306 -1.673 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.828 4.311 -3.115 1.00 0.00 H new ATOM 583 N GLY A 40 -12.692 5.030 -0.686 1.00 0.00 N ATOM 584 CA GLY A 40 -12.984 5.615 0.612 1.00 0.00 C ATOM 585 C GLY A 40 -11.708 6.132 1.280 1.00 0.00 C ATOM 586 O GLY A 40 -11.767 7.000 2.150 1.00 0.00 O ATOM 0 H GLY A 40 -12.470 5.705 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.694 6.433 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.458 4.871 1.252 1.00 0.00 H new ATOM 590 N VAL A 41 -10.586 5.577 0.848 1.00 0.00 N ATOM 591 CA VAL A 41 -9.298 5.971 1.393 1.00 0.00 C ATOM 592 C VAL A 41 -9.118 7.480 1.225 1.00 0.00 C ATOM 593 O VAL A 41 -8.357 8.105 1.963 1.00 0.00 O ATOM 594 CB VAL A 41 -8.180 5.158 0.736 1.00 0.00 C ATOM 595 CG1 VAL A 41 -8.026 5.532 -0.740 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.859 5.334 1.487 1.00 0.00 C ATOM 0 H VAL A 41 -10.542 4.857 0.127 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.253 5.755 2.461 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.456 4.105 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.225 4.940 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.960 5.331 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.783 6.591 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.082 4.746 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.575 6.386 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.978 4.996 2.516 1.00 0.00 H new ATOM 606 N HIS A 42 -9.831 8.024 0.249 1.00 0.00 N ATOM 607 CA HIS A 42 -9.759 9.449 -0.025 1.00 0.00 C ATOM 608 C HIS A 42 -10.740 10.196 0.880 1.00 0.00 C ATOM 609 O HIS A 42 -10.857 11.418 0.800 1.00 0.00 O ATOM 610 CB HIS A 42 -9.994 9.728 -1.511 1.00 0.00 C ATOM 611 CG HIS A 42 -11.446 9.683 -1.923 1.00 0.00 C ATOM 612 ND1 HIS A 42 -12.100 8.504 -2.235 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.363 10.682 -2.069 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.353 8.793 -2.554 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.514 10.143 -2.452 1.00 0.00 N ATOM 0 H HIS A 42 -10.461 7.503 -0.361 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.758 9.817 0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.588 10.710 -1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.437 8.999 -2.099 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.183 11.734 -1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -14.114 8.083 -2.844 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.376 10.654 -2.639 1.00 0.00 H new ATOM 623 N GLN A 43 -11.419 9.431 1.722 1.00 0.00 N ATOM 624 CA GLN A 43 -12.386 10.005 2.642 1.00 0.00 C ATOM 625 C GLN A 43 -11.895 9.865 4.084 1.00 0.00 C ATOM 626 O GLN A 43 -12.094 10.762 4.901 1.00 0.00 O ATOM 627 CB GLN A 43 -13.762 9.358 2.466 1.00 0.00 C ATOM 628 CG GLN A 43 -14.355 9.695 1.097 1.00 0.00 C ATOM 629 CD GLN A 43 -15.859 9.956 1.200 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.572 9.333 1.970 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.300 10.908 0.383 1.00 0.00 N ATOM 0 H GLN A 43 -11.319 8.418 1.786 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.488 11.066 2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.676 8.277 2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.433 9.703 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.857 10.574 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.171 8.873 0.405 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.649 11.390 -0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.289 11.156 0.376 1.00 0.00 H new ATOM 640 N VAL A 44 -11.262 8.732 4.352 1.00 0.00 N ATOM 641 CA VAL A 44 -10.741 8.463 5.682 1.00 0.00 C ATOM 642 C VAL A 44 -9.629 9.464 6.001 1.00 0.00 C ATOM 643 O VAL A 44 -8.971 9.976 5.097 1.00 0.00 O ATOM 644 CB VAL A 44 -10.279 7.007 5.778 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.428 6.046 5.464 1.00 0.00 C ATOM 646 CG2 VAL A 44 -9.082 6.749 4.860 1.00 0.00 C ATOM 0 H VAL A 44 -11.098 7.990 3.671 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.522 8.593 6.432 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.959 6.824 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.073 5.018 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.239 6.203 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.792 6.231 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.774 5.707 4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.363 6.959 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.255 7.397 5.150 1.00 0.00 H new ATOM 656 N PRO A 45 -9.450 9.721 7.325 1.00 0.00 N ATOM 657 CA PRO A 45 -8.430 10.652 7.775 1.00 0.00 C ATOM 658 C PRO A 45 -7.036 10.031 7.671 1.00 0.00 C ATOM 659 O PRO A 45 -6.903 8.832 7.430 1.00 0.00 O ATOM 660 CB PRO A 45 -8.819 11.002 9.202 1.00 0.00 C ATOM 661 CG PRO A 45 -9.771 9.907 9.655 1.00 0.00 C ATOM 662 CD PRO A 45 -10.211 9.133 8.424 1.00 0.00 C ATOM 0 HA PRO A 45 -8.379 11.549 7.158 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.941 11.047 9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.298 11.980 9.247 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.279 9.244 10.367 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.634 10.338 10.164 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.998 8.069 8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.284 9.229 8.259 1.00 0.00 H new ATOM 670 N THR A 46 -6.031 10.874 7.858 1.00 0.00 N ATOM 671 CA THR A 46 -4.652 10.423 7.788 1.00 0.00 C ATOM 672 C THR A 46 -4.288 9.624 9.042 1.00 0.00 C ATOM 673 O THR A 46 -3.183 9.094 9.145 1.00 0.00 O ATOM 674 CB THR A 46 -3.763 11.649 7.570 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.471 11.102 7.322 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.581 12.474 8.845 1.00 0.00 C ATOM 0 H THR A 46 -6.145 11.868 8.058 1.00 0.00 H new ATOM 0 HA THR A 46 -4.501 9.742 6.951 1.00 0.00 H new ATOM 0 HB THR A 46 -4.195 12.277 6.791 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.403 10.219 7.742 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.942 13.332 8.635 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.553 12.822 9.195 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.118 11.857 9.615 1.00 0.00 H new ATOM 684 N GLU A 47 -5.239 9.563 9.962 1.00 0.00 N ATOM 685 CA GLU A 47 -5.032 8.838 11.205 1.00 0.00 C ATOM 686 C GLU A 47 -5.314 7.348 11.003 1.00 0.00 C ATOM 687 O GLU A 47 -4.789 6.509 11.733 1.00 0.00 O ATOM 688 CB GLU A 47 -5.900 9.413 12.326 1.00 0.00 C ATOM 689 CG GLU A 47 -7.381 9.120 12.078 1.00 0.00 C ATOM 690 CD GLU A 47 -8.117 8.861 13.394 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.661 7.961 14.131 1.00 0.00 O ATOM 692 OE2 GLU A 47 -9.119 9.569 13.633 1.00 0.00 O ATOM 0 H GLU A 47 -6.155 10.003 9.872 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.990 8.954 11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.596 8.986 13.282 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.745 10.490 12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.840 9.962 11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.479 8.252 11.425 1.00 0.00 H new ATOM 699 N ASN A 48 -6.142 7.064 10.008 1.00 0.00 N ATOM 700 CA ASN A 48 -6.500 5.690 9.701 1.00 0.00 C ATOM 701 C ASN A 48 -5.502 5.121 8.691 1.00 0.00 C ATOM 702 O ASN A 48 -5.357 3.906 8.573 1.00 0.00 O ATOM 703 CB ASN A 48 -7.897 5.610 9.082 1.00 0.00 C ATOM 704 CG ASN A 48 -8.957 5.341 10.152 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.685 4.792 11.208 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.176 5.756 9.823 1.00 0.00 N ATOM 0 H ASN A 48 -6.575 7.763 9.404 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.485 5.122 10.631 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.124 6.543 8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.922 4.818 8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.952 5.622 10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.335 6.208 8.923 1.00 0.00 H new ATOM 713 N VAL A 49 -4.839 6.028 7.988 1.00 0.00 N ATOM 714 CA VAL A 49 -3.858 5.632 6.991 1.00 0.00 C ATOM 715 C VAL A 49 -2.451 5.856 7.549 1.00 0.00 C ATOM 716 O VAL A 49 -1.937 6.973 7.514 1.00 0.00 O ATOM 717 CB VAL A 49 -4.109 6.383 5.682 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.211 5.851 4.564 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.584 6.310 5.283 1.00 0.00 C ATOM 0 H VAL A 49 -4.962 7.036 8.089 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.952 4.570 6.764 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.857 7.431 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.410 6.402 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.166 5.979 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.417 4.793 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.736 6.852 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.874 5.268 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.195 6.759 6.066 1.00 0.00 H new ATOM 729 N GLN A 50 -1.870 4.777 8.051 1.00 0.00 N ATOM 730 CA GLN A 50 -0.532 4.842 8.616 1.00 0.00 C ATOM 731 C GLN A 50 0.451 4.058 7.744 1.00 0.00 C ATOM 732 O GLN A 50 0.354 2.836 7.638 1.00 0.00 O ATOM 733 CB GLN A 50 -0.520 4.326 10.056 1.00 0.00 C ATOM 734 CG GLN A 50 -0.506 5.486 11.054 1.00 0.00 C ATOM 735 CD GLN A 50 0.920 5.800 11.510 1.00 0.00 C ATOM 736 OE1 GLN A 50 1.831 5.966 10.716 1.00 0.00 O ATOM 737 NE2 GLN A 50 1.062 5.872 12.831 1.00 0.00 N ATOM 0 H GLN A 50 -2.300 3.853 8.079 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.217 5.885 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.397 3.702 10.230 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.355 3.696 10.213 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.948 6.370 10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.121 5.234 11.918 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.257 5.722 13.439 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.976 6.077 13.235 1.00 0.00 H new ATOM 746 N VAL A 51 1.374 4.792 7.142 1.00 0.00 N ATOM 747 CA VAL A 51 2.374 4.181 6.283 1.00 0.00 C ATOM 748 C VAL A 51 3.765 4.657 6.707 1.00 0.00 C ATOM 749 O VAL A 51 3.961 5.838 6.988 1.00 0.00 O ATOM 750 CB VAL A 51 2.060 4.483 4.817 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.391 5.852 4.670 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.321 4.395 3.956 1.00 0.00 C ATOM 0 H VAL A 51 1.451 5.805 7.232 1.00 0.00 H new ATOM 0 HA VAL A 51 2.356 3.096 6.388 1.00 0.00 H new ATOM 0 HB VAL A 51 1.359 3.727 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.178 6.042 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.460 5.865 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.058 6.626 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.069 4.614 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.055 5.118 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.738 3.390 4.024 1.00 0.00 H new ATOM 762 N HIS A 52 4.694 3.713 6.740 1.00 0.00 N ATOM 763 CA HIS A 52 6.061 4.022 7.125 1.00 0.00 C ATOM 764 C HIS A 52 7.021 3.553 6.030 1.00 0.00 C ATOM 765 O HIS A 52 6.868 2.457 5.493 1.00 0.00 O ATOM 766 CB HIS A 52 6.388 3.425 8.495 1.00 0.00 C ATOM 767 CG HIS A 52 7.863 3.395 8.817 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.580 4.531 9.149 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.746 2.357 8.854 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.838 4.181 9.373 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.939 2.833 9.190 1.00 0.00 N ATOM 0 H HIS A 52 4.527 2.734 6.507 1.00 0.00 H new ATOM 0 HA HIS A 52 6.179 5.101 7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.871 4.000 9.263 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.996 2.409 8.540 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.204 5.477 9.211 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.514 1.323 8.645 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.642 4.846 9.652 1.00 0.00 H new ATOM 779 N PHE A 53 7.989 4.407 5.731 1.00 0.00 N ATOM 780 CA PHE A 53 8.974 4.094 4.709 1.00 0.00 C ATOM 781 C PHE A 53 10.317 3.719 5.339 1.00 0.00 C ATOM 782 O PHE A 53 10.690 4.257 6.381 1.00 0.00 O ATOM 783 CB PHE A 53 9.155 5.355 3.862 1.00 0.00 C ATOM 784 CG PHE A 53 7.864 5.860 3.214 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.107 5.019 2.461 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.475 7.151 3.392 1.00 0.00 C ATOM 787 CE1 PHE A 53 5.909 5.488 1.859 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.277 7.620 2.790 1.00 0.00 C ATOM 789 CZ PHE A 53 5.519 6.779 2.037 1.00 0.00 C ATOM 0 H PHE A 53 8.112 5.315 6.178 1.00 0.00 H new ATOM 0 HA PHE A 53 8.635 3.248 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.568 6.145 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.887 5.153 3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.416 3.994 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.077 7.819 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.308 4.820 1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.968 8.645 2.930 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.608 7.136 1.580 1.00 0.00 H new ATOM 799 N THR A 54 11.007 2.800 4.680 1.00 0.00 N ATOM 800 CA THR A 54 12.300 2.347 5.163 1.00 0.00 C ATOM 801 C THR A 54 13.345 2.433 4.048 1.00 0.00 C ATOM 802 O THR A 54 13.122 3.091 3.033 1.00 0.00 O ATOM 803 CB THR A 54 12.127 0.935 5.725 1.00 0.00 C ATOM 804 OG1 THR A 54 11.402 0.244 4.711 1.00 0.00 O ATOM 805 CG2 THR A 54 11.197 0.898 6.939 1.00 0.00 C ATOM 0 H THR A 54 10.695 2.357 3.816 1.00 0.00 H new ATOM 0 HA THR A 54 12.670 2.988 5.963 1.00 0.00 H new ATOM 0 HB THR A 54 13.101 0.533 6.002 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.359 0.799 3.904 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.109 -0.127 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.606 1.526 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.212 1.269 6.654 1.00 0.00 H new ATOM 813 N GLU A 55 14.463 1.759 4.275 1.00 0.00 N ATOM 814 CA GLU A 55 15.543 1.752 3.303 1.00 0.00 C ATOM 815 C GLU A 55 15.212 0.801 2.150 1.00 0.00 C ATOM 816 O GLU A 55 15.466 1.117 0.989 1.00 0.00 O ATOM 817 CB GLU A 55 16.871 1.374 3.961 1.00 0.00 C ATOM 818 CG GLU A 55 17.188 -0.107 3.747 1.00 0.00 C ATOM 819 CD GLU A 55 18.426 -0.524 4.543 1.00 0.00 C ATOM 820 OE1 GLU A 55 19.534 -0.135 4.114 1.00 0.00 O ATOM 821 OE2 GLU A 55 18.237 -1.223 5.561 1.00 0.00 O ATOM 0 H GLU A 55 14.644 1.214 5.118 1.00 0.00 H new ATOM 0 HA GLU A 55 15.649 2.759 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.673 1.985 3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.826 1.589 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.335 -0.713 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.352 -0.298 2.686 1.00 0.00 H new ATOM 828 N ARG A 56 14.651 -0.343 2.511 1.00 0.00 N ATOM 829 CA ARG A 56 14.284 -1.342 1.522 1.00 0.00 C ATOM 830 C ARG A 56 12.958 -2.003 1.903 1.00 0.00 C ATOM 831 O ARG A 56 12.879 -3.226 2.015 1.00 0.00 O ATOM 832 CB ARG A 56 15.365 -2.417 1.396 1.00 0.00 C ATOM 833 CG ARG A 56 16.646 -1.839 0.792 1.00 0.00 C ATOM 834 CD ARG A 56 16.771 -2.211 -0.687 1.00 0.00 C ATOM 835 NE ARG A 56 17.304 -3.586 -0.819 1.00 0.00 N ATOM 836 CZ ARG A 56 18.595 -3.909 -0.663 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.492 -2.960 -0.368 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.988 -5.183 -0.802 1.00 0.00 N ATOM 0 H ARG A 56 14.441 -0.601 3.475 1.00 0.00 H new ATOM 0 HA ARG A 56 14.179 -0.836 0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.580 -2.838 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.000 -3.233 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.646 -0.754 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.511 -2.213 1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.797 -2.141 -1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.430 -1.506 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 56 16.648 -4.334 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.193 -1.991 -0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.475 -3.206 -0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.304 -5.906 -1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.971 -5.429 -0.683 1.00 0.00 H new ATOM 852 N SER A 57 11.948 -1.166 2.091 1.00 0.00 N ATOM 853 CA SER A 57 10.629 -1.655 2.457 1.00 0.00 C ATOM 854 C SER A 57 9.692 -0.476 2.730 1.00 0.00 C ATOM 855 O SER A 57 10.123 0.676 2.737 1.00 0.00 O ATOM 856 CB SER A 57 10.701 -2.571 3.680 1.00 0.00 C ATOM 857 OG SER A 57 10.380 -1.880 4.884 1.00 0.00 O ATOM 0 H SER A 57 12.016 -0.153 1.997 1.00 0.00 H new ATOM 0 HA SER A 57 10.236 -2.238 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.014 -3.407 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.703 -2.991 3.760 1.00 0.00 H new ATOM 0 HG SER A 57 10.896 -1.048 4.931 1.00 0.00 H new ATOM 863 N PHE A 58 8.428 -0.806 2.949 1.00 0.00 N ATOM 864 CA PHE A 58 7.426 0.211 3.222 1.00 0.00 C ATOM 865 C PHE A 58 6.106 -0.425 3.664 1.00 0.00 C ATOM 866 O PHE A 58 5.582 -1.309 2.988 1.00 0.00 O ATOM 867 CB PHE A 58 7.198 0.976 1.917 1.00 0.00 C ATOM 868 CG PHE A 58 5.962 0.523 1.138 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.720 0.737 1.650 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.104 -0.093 -0.066 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.572 0.317 0.927 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.956 -0.513 -0.789 1.00 0.00 C ATOM 873 CZ PHE A 58 3.715 -0.299 -0.277 1.00 0.00 C ATOM 0 H PHE A 58 8.074 -1.763 2.943 1.00 0.00 H new ATOM 0 HA PHE A 58 7.769 0.866 4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.104 2.038 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.077 0.862 1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.607 1.226 2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.090 -0.263 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.586 0.487 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.069 -1.002 -1.745 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.842 -0.618 -0.827 1.00 0.00 H new ATOM 883 N ASP A 59 5.607 0.051 4.796 1.00 0.00 N ATOM 884 CA ASP A 59 4.359 -0.460 5.336 1.00 0.00 C ATOM 885 C ASP A 59 3.259 0.586 5.143 1.00 0.00 C ATOM 886 O ASP A 59 3.515 1.785 5.236 1.00 0.00 O ATOM 887 CB ASP A 59 4.483 -0.745 6.834 1.00 0.00 C ATOM 888 CG ASP A 59 5.157 0.361 7.649 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.335 0.650 7.347 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.479 0.891 8.555 1.00 0.00 O ATOM 0 H ASP A 59 6.045 0.785 5.353 1.00 0.00 H new ATOM 0 HA ASP A 59 4.118 -1.385 4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.486 -0.918 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.046 -1.669 6.967 1.00 0.00 H new ATOM 895 N LEU A 60 2.058 0.093 4.878 1.00 0.00 N ATOM 896 CA LEU A 60 0.918 0.970 4.670 1.00 0.00 C ATOM 897 C LEU A 60 -0.317 0.360 5.335 1.00 0.00 C ATOM 898 O LEU A 60 -0.793 -0.695 4.919 1.00 0.00 O ATOM 899 CB LEU A 60 0.732 1.264 3.181 1.00 0.00 C ATOM 900 CG LEU A 60 -0.274 2.364 2.834 1.00 0.00 C ATOM 901 CD1 LEU A 60 -1.026 2.032 1.544 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.226 2.623 4.003 1.00 0.00 C ATOM 0 H LEU A 60 1.850 -0.903 4.803 1.00 0.00 H new ATOM 0 HA LEU A 60 1.091 1.937 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.700 1.539 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.420 0.345 2.686 1.00 0.00 H new ATOM 0 HG LEU A 60 0.276 3.288 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.734 2.830 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.316 1.937 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.565 1.093 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.931 3.409 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.773 1.709 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.653 2.936 4.876 1.00 0.00 H new ATOM 914 N LEU A 61 -0.801 1.049 6.358 1.00 0.00 N ATOM 915 CA LEU A 61 -1.971 0.588 7.085 1.00 0.00 C ATOM 916 C LEU A 61 -3.176 1.451 6.703 1.00 0.00 C ATOM 917 O LEU A 61 -3.024 2.629 6.385 1.00 0.00 O ATOM 918 CB LEU A 61 -1.690 0.556 8.589 1.00 0.00 C ATOM 919 CG LEU A 61 -2.897 0.291 9.491 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.862 1.479 9.479 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.593 -1.016 9.107 1.00 0.00 C ATOM 0 H LEU A 61 -0.404 1.924 6.701 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.212 -0.438 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.941 -0.212 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.249 1.510 8.877 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.539 0.176 10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.711 1.265 10.128 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.347 2.370 9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.216 1.650 8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.447 -1.180 9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.936 -0.956 8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.893 -1.845 9.209 1.00 0.00 H new ATOM 933 N VAL A 62 -4.345 0.830 6.746 1.00 0.00 N ATOM 934 CA VAL A 62 -5.575 1.526 6.409 1.00 0.00 C ATOM 935 C VAL A 62 -6.719 0.975 7.263 1.00 0.00 C ATOM 936 O VAL A 62 -7.110 -0.181 7.113 1.00 0.00 O ATOM 937 CB VAL A 62 -5.844 1.414 4.907 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.190 2.043 4.542 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.708 2.043 4.098 1.00 0.00 C ATOM 0 H VAL A 62 -4.467 -0.148 7.009 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.485 2.589 6.632 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.890 0.355 4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.356 1.950 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.988 1.531 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.186 3.097 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.924 1.950 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.616 3.097 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.773 1.531 4.324 1.00 0.00 H new ATOM 949 N LYS A 63 -7.223 1.830 8.142 1.00 0.00 N ATOM 950 CA LYS A 63 -8.313 1.444 9.020 1.00 0.00 C ATOM 951 C LYS A 63 -9.565 2.245 8.655 1.00 0.00 C ATOM 952 O LYS A 63 -9.470 3.300 8.030 1.00 0.00 O ATOM 953 CB LYS A 63 -7.897 1.587 10.486 1.00 0.00 C ATOM 954 CG LYS A 63 -7.694 0.217 11.135 1.00 0.00 C ATOM 955 CD LYS A 63 -6.397 0.180 11.944 1.00 0.00 C ATOM 956 CE LYS A 63 -5.787 -1.223 11.940 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.566 -1.696 13.325 1.00 0.00 N ATOM 0 H LYS A 63 -6.896 2.788 8.264 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.557 0.391 8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.975 2.164 10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.660 2.142 11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.539 -0.010 11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.668 -0.554 10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.684 0.891 11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.595 0.491 12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.449 -1.912 11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.842 -1.213 11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.152 -2.650 13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.917 -1.047 13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.474 -1.724 13.831 1.00 0.00 H new ATOM 971 N ASN A 64 -10.708 1.713 9.061 1.00 0.00 N ATOM 972 CA ASN A 64 -11.977 2.365 8.784 1.00 0.00 C ATOM 973 C ASN A 64 -11.995 2.838 7.329 1.00 0.00 C ATOM 974 O ASN A 64 -11.538 3.939 7.025 1.00 0.00 O ATOM 975 CB ASN A 64 -12.175 3.587 9.682 1.00 0.00 C ATOM 976 CG ASN A 64 -13.606 3.647 10.220 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.575 3.685 9.478 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.686 3.651 11.547 1.00 0.00 N ATOM 0 H ASN A 64 -10.782 0.838 9.580 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.775 1.646 8.973 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.471 3.549 10.514 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.956 4.495 9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.598 3.687 12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.836 3.618 12.109 1.00 0.00 H new ATOM 985 N LEU A 65 -12.529 1.984 6.469 1.00 0.00 N ATOM 986 CA LEU A 65 -12.613 2.301 5.053 1.00 0.00 C ATOM 987 C LEU A 65 -14.040 2.050 4.563 1.00 0.00 C ATOM 988 O LEU A 65 -15.004 2.438 5.221 1.00 0.00 O ATOM 989 CB LEU A 65 -11.548 1.532 4.268 1.00 0.00 C ATOM 990 CG LEU A 65 -11.162 2.120 2.909 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.912 3.428 2.645 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.646 2.296 2.799 1.00 0.00 C ATOM 0 H LEU A 65 -12.908 1.072 6.725 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.399 3.357 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.650 1.466 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.904 0.513 4.113 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.461 1.415 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.620 3.825 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.986 3.240 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.666 4.152 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.398 2.715 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.300 2.970 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.158 1.328 2.912 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.130 1.403 3.410 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.424 1.096 2.824 1.00 0.00 C ATOM 1006 C ASN A 66 -16.110 0.010 3.654 1.00 0.00 C ATOM 1007 O ASN A 66 -16.243 -1.128 3.206 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.270 0.572 1.394 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.423 1.048 0.509 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -16.308 2.309 0.103 1.00 0.00 O flip ATOM 1011 ND2 ASN A 66 -17.355 0.319 0.213 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.328 1.083 2.866 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.015 2.012 2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.322 0.914 0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.240 -0.518 1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.382 -0.640 0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.107 0.669 -0.380 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.529 0.399 4.849 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.199 -0.527 5.746 1.00 0.00 C ATOM 1020 C GLY A 67 -16.247 -1.634 6.202 1.00 0.00 C ATOM 1021 O GLY A 67 -16.687 -2.693 6.648 1.00 0.00 O ATOM 0 H GLY A 67 -16.417 1.344 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.578 0.012 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.060 -0.967 5.243 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.958 -1.352 6.075 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.940 -2.311 6.468 1.00 0.00 C ATOM 1027 C LYS A 68 -12.572 -1.625 6.466 1.00 0.00 C ATOM 1028 O LYS A 68 -12.458 -0.460 6.088 1.00 0.00 O ATOM 1029 CB LYS A 68 -14.005 -3.556 5.581 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.573 -3.217 4.201 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.836 -3.984 3.101 1.00 0.00 C ATOM 1032 CE LYS A 68 -14.119 -5.485 3.196 1.00 0.00 C ATOM 1033 NZ LYS A 68 -14.572 -6.010 1.889 1.00 0.00 N ATOM 0 H LYS A 68 -14.596 -0.473 5.705 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.120 -2.663 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.008 -3.982 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.626 -4.314 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.635 -3.461 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.487 -2.145 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.146 -3.613 2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.764 -3.806 3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.219 -6.011 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.881 -5.670 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.760 -7.030 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.443 -5.520 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.832 -5.850 1.176 1.00 0.00 H new ATOM 1047 N SER A 69 -11.568 -2.377 6.893 1.00 0.00 N ATOM 1048 CA SER A 69 -10.213 -1.857 6.946 1.00 0.00 C ATOM 1049 C SER A 69 -9.305 -2.667 6.019 1.00 0.00 C ATOM 1050 O SER A 69 -9.585 -3.829 5.730 1.00 0.00 O ATOM 1051 CB SER A 69 -9.669 -1.880 8.376 1.00 0.00 C ATOM 1052 OG SER A 69 -9.829 -3.158 8.987 1.00 0.00 O ATOM 0 H SER A 69 -11.666 -3.343 7.206 1.00 0.00 H new ATOM 0 HA SER A 69 -10.232 -0.820 6.611 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.612 -1.612 8.366 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.183 -1.126 8.972 1.00 0.00 H new ATOM 0 HG SER A 69 -9.618 -3.093 9.942 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.235 -2.021 5.577 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.284 -2.667 4.689 1.00 0.00 C ATOM 1060 C TYR A 70 -5.851 -2.475 5.187 1.00 0.00 C ATOM 1061 O TYR A 70 -5.545 -1.479 5.840 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.437 -1.975 3.333 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.790 -2.215 2.660 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.927 -1.619 3.165 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.873 -3.029 1.549 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.201 -1.845 2.532 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.146 -3.256 0.916 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.247 -2.653 1.439 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.450 -2.866 0.841 1.00 0.00 O ATOM 0 H TYR A 70 -8.006 -1.057 5.818 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.475 -3.739 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.294 -0.903 3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.646 -2.322 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.862 -0.983 4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.983 -3.496 1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.099 -1.384 2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.225 -3.891 0.046 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.332 -3.462 0.072 1.00 0.00 H new ATOM 1079 N SER A 71 -5.010 -3.445 4.860 1.00 0.00 N ATOM 1080 CA SER A 71 -3.616 -3.396 5.267 1.00 0.00 C ATOM 1081 C SER A 71 -2.714 -3.773 4.090 1.00 0.00 C ATOM 1082 O SER A 71 -3.064 -4.636 3.286 1.00 0.00 O ATOM 1083 CB SER A 71 -3.355 -4.325 6.454 1.00 0.00 C ATOM 1084 OG SER A 71 -3.721 -5.673 6.168 1.00 0.00 O ATOM 0 H SER A 71 -5.267 -4.270 4.318 1.00 0.00 H new ATOM 0 HA SER A 71 -3.387 -2.378 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.299 -4.285 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.916 -3.973 7.320 1.00 0.00 H new ATOM 0 HG SER A 71 -4.599 -5.688 5.732 1.00 0.00 H new ATOM 1090 N MET A 72 -1.571 -3.106 4.024 1.00 0.00 N ATOM 1091 CA MET A 72 -0.616 -3.360 2.959 1.00 0.00 C ATOM 1092 C MET A 72 0.811 -3.047 3.415 1.00 0.00 C ATOM 1093 O MET A 72 1.109 -1.918 3.800 1.00 0.00 O ATOM 1094 CB MET A 72 -0.965 -2.498 1.744 1.00 0.00 C ATOM 1095 CG MET A 72 0.165 -2.521 0.713 1.00 0.00 C ATOM 1096 SD MET A 72 -0.470 -2.083 -0.897 1.00 0.00 S ATOM 1097 CE MET A 72 0.175 -3.439 -1.863 1.00 0.00 C ATOM 0 H MET A 72 -1.285 -2.390 4.691 1.00 0.00 H new ATOM 0 HA MET A 72 -0.669 -4.416 2.694 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.886 -2.862 1.288 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.151 -1.472 2.063 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.950 -1.824 1.006 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.616 -3.513 0.678 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.695 -3.048 -2.738 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.871 -4.019 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.646 -4.079 -2.185 1.00 0.00 H new ATOM 1107 N ILE A 73 1.654 -4.067 3.355 1.00 0.00 N ATOM 1108 CA ILE A 73 3.042 -3.915 3.757 1.00 0.00 C ATOM 1109 C ILE A 73 3.940 -4.658 2.765 1.00 0.00 C ATOM 1110 O ILE A 73 3.574 -5.721 2.267 1.00 0.00 O ATOM 1111 CB ILE A 73 3.231 -4.359 5.209 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.512 -3.410 6.170 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.716 -4.503 5.549 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.057 -3.553 7.592 1.00 0.00 C ATOM 0 H ILE A 73 1.403 -5.002 3.034 1.00 0.00 H new ATOM 0 HA ILE A 73 3.334 -2.865 3.728 1.00 0.00 H new ATOM 0 HB ILE A 73 2.777 -5.343 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.635 -2.381 5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.443 -3.622 6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.823 -4.819 6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.169 -5.248 4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.216 -3.545 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.529 -2.867 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.910 -4.577 7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.121 -3.317 7.599 1.00 0.00 H new ATOM 1126 N VAL A 74 5.098 -4.068 2.508 1.00 0.00 N ATOM 1127 CA VAL A 74 6.051 -4.661 1.585 1.00 0.00 C ATOM 1128 C VAL A 74 7.419 -4.758 2.264 1.00 0.00 C ATOM 1129 O VAL A 74 7.997 -3.743 2.650 1.00 0.00 O ATOM 1130 CB VAL A 74 6.085 -3.859 0.282 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.749 -3.156 0.036 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.241 -2.856 0.286 1.00 0.00 C ATOM 0 H VAL A 74 5.398 -3.186 2.923 1.00 0.00 H new ATOM 0 HA VAL A 74 5.747 -5.674 1.320 1.00 0.00 H new ATOM 0 HB VAL A 74 6.251 -4.558 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.800 -2.593 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.954 -3.899 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.539 -2.474 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.243 -2.299 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.119 -2.164 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.185 -3.390 0.393 1.00 0.00 H new ATOM 1142 N ASN A 75 7.897 -5.987 2.387 1.00 0.00 N ATOM 1143 CA ASN A 75 9.186 -6.230 3.012 1.00 0.00 C ATOM 1144 C ASN A 75 10.162 -6.770 1.965 1.00 0.00 C ATOM 1145 O ASN A 75 9.862 -7.743 1.275 1.00 0.00 O ATOM 1146 CB ASN A 75 9.070 -7.268 4.130 1.00 0.00 C ATOM 1147 CG ASN A 75 8.116 -6.790 5.226 1.00 0.00 C ATOM 1148 OD1 ASN A 75 6.829 -6.948 4.930 1.00 0.00 O flip ATOM 1149 ND2 ASN A 75 8.521 -6.309 6.271 1.00 0.00 N flip ATOM 0 H ASN A 75 7.415 -6.826 2.064 1.00 0.00 H new ATOM 0 HA ASN A 75 9.540 -5.288 3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.713 -8.212 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.054 -7.459 4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.523 -6.216 6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.857 -6.000 6.981 1.00 0.00 H new ATOM 1156 N ASN A 76 11.310 -6.114 1.880 1.00 0.00 N ATOM 1157 CA ASN A 76 12.332 -6.516 0.928 1.00 0.00 C ATOM 1158 C ASN A 76 12.015 -5.911 -0.441 1.00 0.00 C ATOM 1159 O ASN A 76 11.198 -6.449 -1.187 1.00 0.00 O ATOM 1160 CB ASN A 76 12.374 -8.038 0.774 1.00 0.00 C ATOM 1161 CG ASN A 76 12.146 -8.732 2.118 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.286 -8.147 3.180 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.787 -10.008 2.015 1.00 0.00 N ATOM 0 H ASN A 76 11.555 -5.307 2.454 1.00 0.00 H new ATOM 0 HA ASN A 76 13.295 -6.164 1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.612 -8.356 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.338 -8.339 0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.611 -10.558 2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.688 -10.437 1.095 1.00 0.00 H new ATOM 1170 N LEU A 77 12.678 -4.800 -0.729 1.00 0.00 N ATOM 1171 CA LEU A 77 12.477 -4.116 -1.995 1.00 0.00 C ATOM 1172 C LEU A 77 13.687 -4.359 -2.899 1.00 0.00 C ATOM 1173 O LEU A 77 14.829 -4.238 -2.459 1.00 0.00 O ATOM 1174 CB LEU A 77 12.171 -2.635 -1.761 1.00 0.00 C ATOM 1175 CG LEU A 77 10.867 -2.328 -1.022 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.853 -0.886 -0.512 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.653 -2.636 -1.902 1.00 0.00 C ATOM 0 H LEU A 77 13.355 -4.357 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 77 11.607 -4.520 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.996 -2.199 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.144 -2.133 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 77 10.807 -2.979 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.915 -0.694 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.687 -0.734 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.947 -0.201 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.739 -2.409 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.695 -2.027 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.660 -3.691 -2.175 1.00 0.00 H new ATOM 1189 N LEU A 78 13.395 -4.697 -4.146 1.00 0.00 N ATOM 1190 CA LEU A 78 14.445 -4.958 -5.116 1.00 0.00 C ATOM 1191 C LEU A 78 15.571 -3.939 -4.929 1.00 0.00 C ATOM 1192 O LEU A 78 16.742 -4.309 -4.858 1.00 0.00 O ATOM 1193 CB LEU A 78 13.870 -4.986 -6.534 1.00 0.00 C ATOM 1194 CG LEU A 78 14.650 -5.812 -7.558 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.623 -7.299 -7.197 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.135 -5.557 -8.976 1.00 0.00 C ATOM 0 H LEU A 78 12.446 -4.796 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 78 14.877 -5.945 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.852 -5.373 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.804 -3.961 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 78 15.692 -5.493 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.185 -7.864 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.074 -7.443 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.591 -7.650 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.707 -6.157 -9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.082 -5.832 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.249 -4.501 -9.220 1.00 0.00 H new ATOM 1208 N LYS A 79 15.176 -2.676 -4.854 1.00 0.00 N ATOM 1209 CA LYS A 79 16.138 -1.601 -4.677 1.00 0.00 C ATOM 1210 C LYS A 79 15.782 -0.808 -3.418 1.00 0.00 C ATOM 1211 O LYS A 79 14.644 -0.849 -2.955 1.00 0.00 O ATOM 1212 CB LYS A 79 16.223 -0.744 -5.941 1.00 0.00 C ATOM 1213 CG LYS A 79 16.383 -1.618 -7.187 1.00 0.00 C ATOM 1214 CD LYS A 79 17.842 -1.656 -7.646 1.00 0.00 C ATOM 1215 CE LYS A 79 18.088 -2.831 -8.594 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.521 -3.199 -8.603 1.00 0.00 N ATOM 0 H LYS A 79 14.204 -2.373 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 79 17.139 -2.005 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.324 -0.135 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.066 -0.058 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.039 -2.630 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.755 -1.231 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.094 -0.721 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.498 -1.740 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.489 -3.687 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.768 -2.566 -9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.670 -3.998 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.086 -2.386 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.815 -3.472 -7.644 1.00 0.00 H new ATOM 1230 N PRO A 80 16.804 -0.084 -2.887 1.00 0.00 N ATOM 1231 CA PRO A 80 16.611 0.718 -1.691 1.00 0.00 C ATOM 1232 C PRO A 80 15.827 1.993 -2.007 1.00 0.00 C ATOM 1233 O PRO A 80 15.662 2.352 -3.172 1.00 0.00 O ATOM 1234 CB PRO A 80 18.012 0.995 -1.172 1.00 0.00 C ATOM 1235 CG PRO A 80 18.948 0.737 -2.342 1.00 0.00 C ATOM 1236 CD PRO A 80 18.166 -0.012 -3.408 1.00 0.00 C ATOM 0 HA PRO A 80 16.015 0.208 -0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.102 2.022 -0.819 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.252 0.346 -0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.331 1.677 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.810 0.153 -2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.197 0.512 -4.363 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.579 -1.007 -3.576 1.00 0.00 H new ATOM 1244 N ILE A 81 15.364 2.642 -0.949 1.00 0.00 N ATOM 1245 CA ILE A 81 14.601 3.870 -1.099 1.00 0.00 C ATOM 1246 C ILE A 81 14.842 4.767 0.117 1.00 0.00 C ATOM 1247 O ILE A 81 14.974 4.278 1.238 1.00 0.00 O ATOM 1248 CB ILE A 81 13.125 3.556 -1.348 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.560 2.660 -0.244 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.920 2.951 -2.739 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.516 3.407 0.588 1.00 0.00 C ATOM 0 H ILE A 81 15.502 2.341 0.016 1.00 0.00 H new ATOM 0 HA ILE A 81 14.938 4.423 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 81 12.568 4.492 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.110 1.772 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.369 2.319 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.862 2.737 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.259 3.657 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.492 2.027 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.131 2.747 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.976 4.281 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.697 3.725 -0.057 1.00 0.00 H new ATOM 1263 N SER A 82 14.893 6.065 -0.146 1.00 0.00 N ATOM 1264 CA SER A 82 15.116 7.034 0.913 1.00 0.00 C ATOM 1265 C SER A 82 13.865 7.155 1.784 1.00 0.00 C ATOM 1266 O SER A 82 12.752 7.249 1.269 1.00 0.00 O ATOM 1267 CB SER A 82 15.496 8.400 0.338 1.00 0.00 C ATOM 1268 OG SER A 82 16.546 9.018 1.077 1.00 0.00 O ATOM 0 H SER A 82 14.784 6.468 -1.077 1.00 0.00 H new ATOM 0 HA SER A 82 15.946 6.684 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.804 8.283 -0.701 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.621 9.050 0.339 1.00 0.00 H new ATOM 0 HG SER A 82 16.760 9.887 0.677 1.00 0.00 H new ATOM 1274 N VAL A 83 14.089 7.148 3.090 1.00 0.00 N ATOM 1275 CA VAL A 83 12.993 7.256 4.038 1.00 0.00 C ATOM 1276 C VAL A 83 12.579 8.723 4.168 1.00 0.00 C ATOM 1277 O VAL A 83 11.488 9.103 3.746 1.00 0.00 O ATOM 1278 CB VAL A 83 13.393 6.627 5.374 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.380 6.971 6.468 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.560 5.112 5.239 1.00 0.00 C ATOM 0 H VAL A 83 15.013 7.069 3.514 1.00 0.00 H new ATOM 0 HA VAL A 83 12.124 6.704 3.681 1.00 0.00 H new ATOM 0 HB VAL A 83 14.356 7.046 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.688 6.511 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.332 8.053 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.397 6.594 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.844 4.690 6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.619 4.670 4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.336 4.895 4.505 1.00 0.00 H new ATOM 1290 N GLU A 84 13.471 9.507 4.755 1.00 0.00 N ATOM 1291 CA GLU A 84 13.212 10.923 4.946 1.00 0.00 C ATOM 1292 C GLU A 84 12.797 11.570 3.623 1.00 0.00 C ATOM 1293 O GLU A 84 12.186 12.638 3.615 1.00 0.00 O ATOM 1294 CB GLU A 84 14.432 11.628 5.542 1.00 0.00 C ATOM 1295 CG GLU A 84 14.537 11.366 7.045 1.00 0.00 C ATOM 1296 CD GLU A 84 15.476 12.373 7.713 1.00 0.00 C ATOM 1297 OE1 GLU A 84 15.051 13.540 7.852 1.00 0.00 O ATOM 1298 OE2 GLU A 84 16.597 11.953 8.071 1.00 0.00 O ATOM 0 H GLU A 84 14.374 9.188 5.105 1.00 0.00 H new ATOM 0 HA GLU A 84 12.390 11.030 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.337 11.279 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.361 12.700 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.548 11.429 7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.902 10.353 7.217 1.00 0.00 H new ATOM 1305 N GLY A 85 13.146 10.897 2.537 1.00 0.00 N ATOM 1306 CA GLY A 85 12.817 11.392 1.211 1.00 0.00 C ATOM 1307 C GLY A 85 11.488 10.812 0.722 1.00 0.00 C ATOM 1308 O GLY A 85 10.760 11.462 -0.026 1.00 0.00 O ATOM 0 H GLY A 85 13.654 10.012 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.758 12.480 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.612 11.128 0.513 1.00 0.00 H new ATOM 1312 N SER A 86 11.213 9.594 1.166 1.00 0.00 N ATOM 1313 CA SER A 86 9.985 8.918 0.783 1.00 0.00 C ATOM 1314 C SER A 86 8.774 9.707 1.287 1.00 0.00 C ATOM 1315 O SER A 86 8.877 10.456 2.257 1.00 0.00 O ATOM 1316 CB SER A 86 9.950 7.489 1.327 1.00 0.00 C ATOM 1317 OG SER A 86 10.607 6.571 0.457 1.00 0.00 O ATOM 0 H SER A 86 11.819 9.058 1.787 1.00 0.00 H new ATOM 0 HA SER A 86 9.949 8.865 -0.305 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.425 7.463 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.914 7.179 1.466 1.00 0.00 H new ATOM 0 HG SER A 86 11.549 6.825 0.365 1.00 0.00 H new ATOM 1323 N SER A 87 7.655 9.512 0.605 1.00 0.00 N ATOM 1324 CA SER A 87 6.427 10.196 0.972 1.00 0.00 C ATOM 1325 C SER A 87 5.219 9.320 0.633 1.00 0.00 C ATOM 1326 O SER A 87 5.331 8.379 -0.151 1.00 0.00 O ATOM 1327 CB SER A 87 6.317 11.548 0.264 1.00 0.00 C ATOM 1328 OG SER A 87 7.578 12.205 0.170 1.00 0.00 O ATOM 0 H SER A 87 7.573 8.890 -0.199 1.00 0.00 H new ATOM 0 HA SER A 87 6.445 10.379 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.909 11.401 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.616 12.184 0.804 1.00 0.00 H new ATOM 0 HG SER A 87 7.466 13.063 -0.289 1.00 0.00 H new ATOM 1334 N LYS A 88 4.092 9.661 1.240 1.00 0.00 N ATOM 1335 CA LYS A 88 2.865 8.917 1.012 1.00 0.00 C ATOM 1336 C LYS A 88 1.781 9.872 0.506 1.00 0.00 C ATOM 1337 O LYS A 88 1.603 10.959 1.052 1.00 0.00 O ATOM 1338 CB LYS A 88 2.465 8.145 2.271 1.00 0.00 C ATOM 1339 CG LYS A 88 1.445 8.933 3.097 1.00 0.00 C ATOM 1340 CD LYS A 88 0.052 8.850 2.472 1.00 0.00 C ATOM 1341 CE LYS A 88 -0.893 8.021 3.345 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.018 8.854 3.826 1.00 0.00 N ATOM 0 H LYS A 88 4.003 10.442 1.889 1.00 0.00 H new ATOM 0 HA LYS A 88 3.014 8.164 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.044 7.179 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.350 7.944 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.415 8.542 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.755 9.976 3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.353 9.854 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.121 8.404 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.277 7.175 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.347 7.611 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.109 8.752 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.837 9.851 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.899 8.545 3.369 1.00 0.00 H new ATOM 1356 N LYS A 89 1.086 9.430 -0.531 1.00 0.00 N ATOM 1357 CA LYS A 89 0.025 10.231 -1.117 1.00 0.00 C ATOM 1358 C LYS A 89 -1.236 9.377 -1.257 1.00 0.00 C ATOM 1359 O LYS A 89 -1.164 8.149 -1.228 1.00 0.00 O ATOM 1360 CB LYS A 89 0.492 10.859 -2.432 1.00 0.00 C ATOM 1361 CG LYS A 89 1.100 12.243 -2.194 1.00 0.00 C ATOM 1362 CD LYS A 89 0.499 13.278 -3.148 1.00 0.00 C ATOM 1363 CE LYS A 89 0.945 13.019 -4.588 1.00 0.00 C ATOM 1364 NZ LYS A 89 2.242 13.678 -4.856 1.00 0.00 N ATOM 0 H LYS A 89 1.237 8.527 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.227 11.066 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.229 10.211 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.350 10.941 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.924 12.549 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.180 12.198 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.589 13.244 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.804 14.279 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.033 11.946 -4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.191 13.392 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.612 13.357 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.109 14.709 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.918 13.432 -4.105 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.361 10.059 -1.407 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.637 9.378 -1.551 1.00 0.00 C ATOM 1380 C VAL A 90 -4.430 10.025 -2.688 1.00 0.00 C ATOM 1381 O VAL A 90 -4.521 11.250 -2.768 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.388 9.385 -0.219 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.860 9.017 -0.417 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.720 8.450 0.792 1.00 0.00 C ATOM 0 H VAL A 90 -2.416 11.077 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.483 8.332 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.347 10.397 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.371 9.029 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.329 9.739 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.930 8.020 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.274 8.474 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.715 7.433 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.695 8.776 0.967 1.00 0.00 H new ATOM 1394 N LYS A 91 -4.984 9.175 -3.540 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.767 9.649 -4.668 1.00 0.00 C ATOM 1396 C LYS A 91 -7.233 9.262 -4.465 1.00 0.00 C ATOM 1397 O LYS A 91 -7.605 8.761 -3.405 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.173 9.140 -5.983 1.00 0.00 C ATOM 1399 CG LYS A 91 -3.954 8.251 -5.727 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.358 7.745 -7.042 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.483 8.817 -7.696 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.117 9.318 -8.936 1.00 0.00 N ATOM 0 H LYS A 91 -4.906 8.160 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.730 10.737 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.928 8.579 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.886 9.986 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.200 8.812 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.242 7.404 -5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.765 6.850 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.160 7.460 -7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.328 9.642 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.501 8.404 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.510 10.045 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.243 8.531 -9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.044 9.731 -8.709 1.00 0.00 H new ATOM 1416 N THR A 92 -8.025 9.509 -5.498 1.00 0.00 N ATOM 1417 CA THR A 92 -9.443 9.193 -5.445 1.00 0.00 C ATOM 1418 C THR A 92 -9.650 7.679 -5.386 1.00 0.00 C ATOM 1419 O THR A 92 -9.441 6.981 -6.377 1.00 0.00 O ATOM 1420 CB THR A 92 -10.118 9.852 -6.650 1.00 0.00 C ATOM 1421 OG1 THR A 92 -10.225 11.224 -6.281 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.569 9.400 -6.827 1.00 0.00 C ATOM 0 H THR A 92 -7.713 9.924 -6.376 1.00 0.00 H new ATOM 0 HA THR A 92 -9.903 9.588 -4.539 1.00 0.00 H new ATOM 0 HB THR A 92 -9.553 9.622 -7.553 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.651 11.726 -7.007 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.002 9.897 -7.695 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.598 8.320 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.142 9.660 -5.937 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.057 7.215 -4.213 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.294 5.796 -4.011 1.00 0.00 C ATOM 1432 C ASP A 93 -9.007 5.022 -4.301 1.00 0.00 C ATOM 1433 O ASP A 93 -9.053 3.849 -4.669 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.380 5.279 -4.957 1.00 0.00 C ATOM 1435 CG ASP A 93 -12.726 5.997 -4.851 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -13.200 6.149 -3.704 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -13.252 6.379 -5.919 1.00 0.00 O ATOM 0 H ASP A 93 -10.229 7.797 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.615 5.651 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.019 5.365 -5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.535 4.218 -4.762 1.00 0.00 H new ATOM 1442 N THR A 94 -7.888 5.709 -4.123 1.00 0.00 N ATOM 1443 CA THR A 94 -6.590 5.101 -4.361 1.00 0.00 C ATOM 1444 C THR A 94 -5.547 5.678 -3.403 1.00 0.00 C ATOM 1445 O THR A 94 -5.638 6.839 -3.007 1.00 0.00 O ATOM 1446 CB THR A 94 -6.237 5.301 -5.836 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.216 4.535 -6.534 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.909 4.642 -6.215 1.00 0.00 C ATOM 0 H THR A 94 -7.854 6.681 -3.817 1.00 0.00 H new ATOM 0 HA THR A 94 -6.612 4.030 -4.160 1.00 0.00 H new ATOM 0 HB THR A 94 -6.189 6.367 -6.056 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.063 4.610 -7.499 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.706 4.814 -7.272 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.106 5.072 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.968 3.570 -6.027 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.580 4.841 -3.057 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.520 5.254 -2.153 1.00 0.00 C ATOM 1458 C VAL A 95 -2.178 5.190 -2.884 1.00 0.00 C ATOM 1459 O VAL A 95 -1.779 4.131 -3.365 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.552 4.399 -0.884 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.475 2.910 -1.225 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.430 4.800 0.076 1.00 0.00 C ATOM 0 H VAL A 95 -4.508 3.878 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.668 6.287 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.503 4.580 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.499 2.325 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.323 2.636 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.547 2.707 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.476 4.177 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.466 4.663 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.548 5.846 0.357 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.517 6.337 -2.943 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.228 6.425 -3.608 1.00 0.00 C ATOM 1474 C LEU A 96 0.887 6.284 -2.569 1.00 0.00 C ATOM 1475 O LEU A 96 0.851 6.932 -1.524 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.138 7.708 -4.436 1.00 0.00 C ATOM 1477 CG LEU A 96 0.082 7.522 -5.939 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.578 8.817 -6.585 1.00 0.00 C ATOM 1479 CD2 LEU A 96 1.023 6.347 -6.214 1.00 0.00 C ATOM 0 H LEU A 96 -1.850 7.213 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.109 5.607 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.057 8.276 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.677 8.315 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.877 7.281 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.726 8.657 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.161 9.605 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.522 9.113 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.163 6.237 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.987 6.534 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.591 5.432 -5.808 1.00 0.00 H new ATOM 1491 N ILE A 97 1.850 5.434 -2.893 1.00 0.00 N ATOM 1492 CA ILE A 97 2.973 5.200 -2.000 1.00 0.00 C ATOM 1493 C ILE A 97 4.268 5.623 -2.696 1.00 0.00 C ATOM 1494 O ILE A 97 4.901 4.819 -3.379 1.00 0.00 O ATOM 1495 CB ILE A 97 2.980 3.748 -1.518 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.613 3.350 -0.956 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.105 3.511 -0.509 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.352 4.036 0.387 1.00 0.00 C ATOM 0 H ILE A 97 1.876 4.899 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 97 2.879 5.810 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 97 3.175 3.104 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.831 3.621 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.568 2.268 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.088 2.471 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.065 3.728 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.965 4.164 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.374 3.736 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.122 3.743 1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.373 5.118 0.253 1.00 0.00 H new ATOM 1510 N LEU A 98 4.623 6.884 -2.499 1.00 0.00 N ATOM 1511 CA LEU A 98 5.832 7.423 -3.099 1.00 0.00 C ATOM 1512 C LEU A 98 7.053 6.867 -2.364 1.00 0.00 C ATOM 1513 O LEU A 98 7.189 7.046 -1.155 1.00 0.00 O ATOM 1514 CB LEU A 98 5.777 8.952 -3.132 1.00 0.00 C ATOM 1515 CG LEU A 98 4.755 9.566 -4.091 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.414 11.001 -3.683 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.243 9.483 -5.539 1.00 0.00 C ATOM 0 H LEU A 98 4.095 7.548 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 98 5.915 7.107 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.562 9.310 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.766 9.326 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 98 3.835 8.985 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.686 11.414 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.995 11.003 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.319 11.609 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.498 9.926 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.184 10.025 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.395 8.439 -5.812 1.00 0.00 H new ATOM 1529 N CYS A 99 7.910 6.204 -3.126 1.00 0.00 N ATOM 1530 CA CYS A 99 9.116 5.620 -2.562 1.00 0.00 C ATOM 1531 C CYS A 99 10.324 6.240 -3.266 1.00 0.00 C ATOM 1532 O CYS A 99 10.526 6.031 -4.461 1.00 0.00 O ATOM 1533 CB CYS A 99 9.111 4.094 -2.674 1.00 0.00 C ATOM 1534 SG CYS A 99 7.993 3.378 -1.415 1.00 0.00 S ATOM 0 H CYS A 99 7.794 6.058 -4.129 1.00 0.00 H new ATOM 0 HA CYS A 99 9.166 5.840 -1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.788 3.795 -3.671 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.121 3.708 -2.537 1.00 0.00 H new ATOM 0 HG CYS A 99 7.994 2.082 -1.520 1.00 0.00 H new ATOM 1540 N ARG A 100 11.097 6.991 -2.495 1.00 0.00 N ATOM 1541 CA ARG A 100 12.280 7.643 -3.030 1.00 0.00 C ATOM 1542 C ARG A 100 13.253 6.603 -3.590 1.00 0.00 C ATOM 1543 O ARG A 100 13.325 5.482 -3.087 1.00 0.00 O ATOM 1544 CB ARG A 100 12.990 8.467 -1.953 1.00 0.00 C ATOM 1545 CG ARG A 100 12.520 9.923 -1.978 1.00 0.00 C ATOM 1546 CD ARG A 100 12.571 10.491 -3.398 1.00 0.00 C ATOM 1547 NE ARG A 100 11.220 10.465 -4.002 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.220 11.280 -3.641 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.412 12.191 -2.677 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.027 11.185 -4.245 1.00 0.00 N ATOM 0 H ARG A 100 10.927 7.162 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 100 11.957 8.311 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.795 8.035 -0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.068 8.426 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.502 9.987 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.148 10.523 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.949 11.513 -3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.262 9.908 -4.007 1.00 0.00 H new ATOM 0 HE ARG A 100 11.039 9.784 -4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.320 12.264 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.650 12.811 -2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.881 10.492 -4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.265 11.805 -3.970 1.00 0.00 H new ATOM 1564 N LYS A 101 13.975 7.010 -4.623 1.00 0.00 N ATOM 1565 CA LYS A 101 14.940 6.127 -5.256 1.00 0.00 C ATOM 1566 C LYS A 101 16.343 6.465 -4.750 1.00 0.00 C ATOM 1567 O LYS A 101 16.789 7.606 -4.860 1.00 0.00 O ATOM 1568 CB LYS A 101 14.804 6.189 -6.779 1.00 0.00 C ATOM 1569 CG LYS A 101 14.023 4.985 -7.310 1.00 0.00 C ATOM 1570 CD LYS A 101 14.429 4.659 -8.748 1.00 0.00 C ATOM 1571 CE LYS A 101 14.309 3.159 -9.025 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.446 2.917 -10.203 1.00 0.00 N ATOM 0 H LYS A 101 13.911 7.940 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 101 14.744 5.090 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.297 7.111 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.794 6.215 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.204 4.120 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.954 5.194 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.797 5.212 -9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.455 4.984 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.298 2.735 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.894 2.654 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.004 1.979 -10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.706 3.646 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.021 2.956 -11.069 1.00 0.00 H new ATOM 1585 N LYS A 102 17.001 5.451 -4.205 1.00 0.00 N ATOM 1586 CA LYS A 102 18.345 5.627 -3.681 1.00 0.00 C ATOM 1587 C LYS A 102 19.317 5.836 -4.843 1.00 0.00 C ATOM 1588 O LYS A 102 20.360 6.466 -4.679 1.00 0.00 O ATOM 1589 CB LYS A 102 18.720 4.458 -2.767 1.00 0.00 C ATOM 1590 CG LYS A 102 19.950 4.796 -1.922 1.00 0.00 C ATOM 1591 CD LYS A 102 20.147 3.768 -0.806 1.00 0.00 C ATOM 1592 CE LYS A 102 21.584 3.798 -0.281 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.712 2.955 0.928 1.00 0.00 N ATOM 0 H LYS A 102 16.628 4.506 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 102 18.398 6.519 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.881 4.218 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.920 3.571 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.836 4.823 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.837 5.790 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.454 3.974 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.913 2.771 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.267 3.443 -1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.871 4.823 -0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.693 2.987 1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.075 3.311 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.458 1.974 0.695 1.00 0.00 H new ATOM 1607 N VAL A 103 18.941 5.294 -5.993 1.00 0.00 N ATOM 1608 CA VAL A 103 19.767 5.413 -7.182 1.00 0.00 C ATOM 1609 C VAL A 103 18.870 5.636 -8.401 1.00 0.00 C ATOM 1610 O VAL A 103 17.932 4.876 -8.633 1.00 0.00 O ATOM 1611 CB VAL A 103 20.667 4.183 -7.319 1.00 0.00 C ATOM 1612 CG1 VAL A 103 21.320 4.133 -8.702 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.723 4.150 -6.213 1.00 0.00 C ATOM 0 H VAL A 103 18.075 4.771 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 103 20.428 6.276 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 103 20.042 3.297 -7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.954 3.249 -8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.546 4.087 -9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 103 21.925 5.027 -8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.349 3.266 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 103 22.343 5.045 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.231 4.116 -5.241 1.00 0.00 H new ATOM 1623 N GLU A 104 19.189 6.684 -9.147 1.00 0.00 N ATOM 1624 CA GLU A 104 18.424 7.017 -10.336 1.00 0.00 C ATOM 1625 C GLU A 104 18.742 6.034 -11.465 1.00 0.00 C ATOM 1626 O GLU A 104 19.586 5.154 -11.307 1.00 0.00 O ATOM 1627 CB GLU A 104 18.690 8.459 -10.773 1.00 0.00 C ATOM 1628 CG GLU A 104 18.409 9.438 -9.632 1.00 0.00 C ATOM 1629 CD GLU A 104 19.636 9.595 -8.730 1.00 0.00 C ATOM 1630 OE1 GLU A 104 20.663 10.084 -9.250 1.00 0.00 O ATOM 1631 OE2 GLU A 104 19.519 9.223 -7.543 1.00 0.00 O ATOM 0 H GLU A 104 19.967 7.313 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 104 17.364 6.934 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.726 8.560 -11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.063 8.705 -11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.127 10.408 -10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.563 9.083 -9.043 1.00 0.00 H new ATOM 1638 N ASN A 105 18.049 6.218 -12.579 1.00 0.00 N ATOM 1639 CA ASN A 105 18.247 5.358 -13.734 1.00 0.00 C ATOM 1640 C ASN A 105 18.365 3.905 -13.269 1.00 0.00 C ATOM 1641 O ASN A 105 19.355 3.235 -13.559 1.00 0.00 O ATOM 1642 CB ASN A 105 19.533 5.722 -14.477 1.00 0.00 C ATOM 1643 CG ASN A 105 19.449 7.135 -15.059 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.634 7.434 -15.916 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.335 7.985 -14.547 1.00 0.00 N ATOM 0 H ASN A 105 17.350 6.950 -12.707 1.00 0.00 H new ATOM 0 HA ASN A 105 17.395 5.489 -14.401 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.382 5.655 -13.796 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.710 5.005 -15.278 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.359 8.952 -14.870 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.990 7.670 -13.831 1.00 0.00 H new ATOM 1652 N THR A 106 17.341 3.461 -12.554 1.00 0.00 N ATOM 1653 CA THR A 106 17.317 2.100 -12.046 1.00 0.00 C ATOM 1654 C THR A 106 15.968 1.443 -12.345 1.00 0.00 C ATOM 1655 O THR A 106 14.918 2.032 -12.096 1.00 0.00 O ATOM 1656 CB THR A 106 17.654 2.146 -10.555 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.071 2.293 -10.523 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.402 0.809 -9.856 1.00 0.00 C ATOM 0 H THR A 106 16.522 4.020 -12.315 1.00 0.00 H new ATOM 0 HA THR A 106 18.062 1.479 -12.543 1.00 0.00 H new ATOM 0 HB THR A 106 17.062 2.924 -10.074 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.318 3.166 -10.893 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.657 0.897 -8.800 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.350 0.540 -9.954 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.019 0.036 -10.315 1.00 0.00 H new ATOM 1666 N ARG A 107 16.041 0.230 -12.873 1.00 0.00 N ATOM 1667 CA ARG A 107 14.839 -0.514 -13.208 1.00 0.00 C ATOM 1668 C ARG A 107 14.512 -1.520 -12.102 1.00 0.00 C ATOM 1669 O ARG A 107 15.414 -2.066 -11.469 1.00 0.00 O ATOM 1670 CB ARG A 107 15.003 -1.259 -14.534 1.00 0.00 C ATOM 1671 CG ARG A 107 13.646 -1.509 -15.195 1.00 0.00 C ATOM 1672 CD ARG A 107 13.674 -1.109 -16.671 1.00 0.00 C ATOM 1673 NE ARG A 107 12.346 -0.601 -17.083 1.00 0.00 N ATOM 1674 CZ ARG A 107 12.075 -0.104 -18.297 1.00 0.00 C ATOM 1675 NH1 ARG A 107 13.038 -0.045 -19.227 1.00 0.00 N ATOM 1676 NH2 ARG A 107 10.841 0.333 -18.582 1.00 0.00 N ATOM 0 H ARG A 107 16.914 -0.256 -13.077 1.00 0.00 H new ATOM 0 HA ARG A 107 14.023 0.202 -13.306 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.637 -0.679 -15.205 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.508 -2.210 -14.361 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.382 -2.563 -15.105 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.874 -0.942 -14.675 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.432 -0.343 -16.834 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.950 -1.967 -17.284 1.00 0.00 H new ATOM 0 HE ARG A 107 11.590 -0.631 -16.399 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.977 -0.379 -19.010 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.832 0.333 -20.151 1.00 0.00 H new ATOM 0 HH21 ARG A 107 10.108 0.287 -17.874 1.00 0.00 H new ATOM 0 HH22 ARG A 107 10.635 0.711 -19.506 1.00 0.00 H new ATOM 1690 N TRP A 108 13.219 -1.734 -11.904 1.00 0.00 N ATOM 1691 CA TRP A 108 12.762 -2.664 -10.886 1.00 0.00 C ATOM 1692 C TRP A 108 12.105 -3.852 -11.592 1.00 0.00 C ATOM 1693 O TRP A 108 10.977 -3.747 -12.070 1.00 0.00 O ATOM 1694 CB TRP A 108 11.832 -1.972 -9.888 1.00 0.00 C ATOM 1695 CG TRP A 108 12.557 -1.097 -8.864 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.655 -0.351 -9.047 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.188 -0.905 -7.482 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.020 0.304 -7.889 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.100 -0.043 -6.907 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.120 -1.442 -6.743 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.035 0.358 -5.567 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.070 -1.031 -5.405 1.00 0.00 C ATOM 1703 CH2 TRP A 108 11.979 -0.165 -4.811 1.00 0.00 C ATOM 0 H TRP A 108 12.474 -1.279 -12.432 1.00 0.00 H new ATOM 0 HA TRP A 108 13.601 -3.031 -10.294 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.120 -1.356 -10.438 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.255 -2.730 -9.359 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.187 -0.272 -9.983 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.818 0.928 -7.775 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.395 -2.118 -7.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.760 1.034 -5.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.268 -1.415 -4.792 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.872 0.104 -3.770 1.00 0.00 H new ATOM 1714 N ASP A 109 12.839 -4.954 -11.635 1.00 0.00 N ATOM 1715 CA ASP A 109 12.342 -6.160 -12.274 1.00 0.00 C ATOM 1716 C ASP A 109 11.131 -6.682 -11.497 1.00 0.00 C ATOM 1717 O ASP A 109 10.316 -7.427 -12.038 1.00 0.00 O ATOM 1718 CB ASP A 109 13.407 -7.258 -12.283 1.00 0.00 C ATOM 1719 CG ASP A 109 14.446 -7.142 -13.400 1.00 0.00 C ATOM 1720 OD1 ASP A 109 14.173 -7.694 -14.488 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.489 -6.504 -13.141 1.00 0.00 O ATOM 0 H ASP A 109 13.775 -5.037 -11.237 1.00 0.00 H new ATOM 0 HA ASP A 109 12.073 -5.911 -13.300 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.924 -7.249 -11.324 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.910 -8.224 -12.368 1.00 0.00 H new ATOM 1726 N TYR A 110 11.053 -6.270 -10.240 1.00 0.00 N ATOM 1727 CA TYR A 110 9.956 -6.687 -9.383 1.00 0.00 C ATOM 1728 C TYR A 110 9.810 -5.748 -8.184 1.00 0.00 C ATOM 1729 O TYR A 110 10.798 -5.205 -7.692 1.00 0.00 O ATOM 1730 CB TYR A 110 10.321 -8.085 -8.880 1.00 0.00 C ATOM 1731 CG TYR A 110 10.563 -9.104 -9.995 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.495 -9.752 -10.581 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.849 -9.376 -10.415 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.722 -10.711 -11.631 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.077 -10.335 -11.464 1.00 0.00 C ATOM 1736 CZ TYR A 110 11.002 -10.956 -12.020 1.00 0.00 C ATOM 1737 OH TYR A 110 11.217 -11.862 -13.012 1.00 0.00 O ATOM 0 H TYR A 110 11.731 -5.652 -9.795 1.00 0.00 H new ATOM 0 HA TYR A 110 9.014 -6.673 -9.931 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.218 -8.016 -8.264 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.520 -8.449 -8.237 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.488 -9.540 -10.252 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.685 -8.869 -9.956 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.895 -11.224 -12.099 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.079 -10.556 -11.802 1.00 0.00 H new ATOM 0 HH TYR A 110 12.179 -11.934 -13.186 1.00 0.00 H new ATOM 1747 N LEU A 111 8.569 -5.586 -7.748 1.00 0.00 N ATOM 1748 CA LEU A 111 8.281 -4.722 -6.615 1.00 0.00 C ATOM 1749 C LEU A 111 9.209 -5.084 -5.454 1.00 0.00 C ATOM 1750 O LEU A 111 9.781 -4.203 -4.813 1.00 0.00 O ATOM 1751 CB LEU A 111 6.795 -4.785 -6.258 1.00 0.00 C ATOM 1752 CG LEU A 111 6.254 -3.619 -5.428 1.00 0.00 C ATOM 1753 CD1 LEU A 111 6.256 -3.959 -3.937 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.027 -2.332 -5.723 1.00 0.00 C ATOM 0 H LEU A 111 7.752 -6.038 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 111 8.480 -3.681 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.222 -4.843 -7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.612 -5.710 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 111 5.217 -3.446 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.867 -3.113 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.628 -4.833 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.275 -4.174 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.623 -1.519 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.080 -2.476 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.930 -2.083 -6.780 1.00 0.00 H new ATOM 1766 N THR A 112 9.330 -6.382 -5.218 1.00 0.00 N ATOM 1767 CA THR A 112 10.179 -6.872 -4.145 1.00 0.00 C ATOM 1768 C THR A 112 11.157 -7.922 -4.676 1.00 0.00 C ATOM 1769 O THR A 112 11.148 -8.240 -5.864 1.00 0.00 O ATOM 1770 CB THR A 112 9.274 -7.394 -3.027 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.401 -8.308 -3.685 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.339 -6.314 -2.479 1.00 0.00 C ATOM 0 H THR A 112 8.854 -7.110 -5.751 1.00 0.00 H new ATOM 0 HA THR A 112 10.799 -6.074 -3.735 1.00 0.00 H new ATOM 0 HB THR A 112 9.888 -7.788 -2.217 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.781 -8.695 -3.033 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.719 -6.737 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.930 -5.491 -2.076 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.701 -5.943 -3.282 1.00 0.00 H new