USER MOD reduce.3.24.130724 H: found=0, std=0, add=979, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 980 hydrogens (25 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 NoAdj-H: A 130 1RG HAA : A 130 1RG CAA : A 442 CYS SG :(H bumps) USER MOD Set 1.1: A 411 MET CE :methyl -103:sc= -3.01! (180deg=-4.58!) USER MOD Set 1.2: A 450 MET CE :methyl -164:sc= -5.06! (180deg=-6.41!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -4.21! C(o=-7.4!,f=-4.5!) USER MOD Set 2.2: A 423 SER OG : rot 94:sc= 1.13 USER MOD Set 2.3: A 426 GLN : amide:sc= -0.747 K(o=-7.4,f=-8.9) USER MOD Set 2.4: A 439 SER OG : rot 47:sc= 0.142 USER MOD Set 2.5: A 444 ASN : amide:sc= -3.73! K(o=-7.4!,f=-3.3) USER MOD Set 3.1: A 397 ASN : amide:sc= 0.463 X(o=-0.88,f=-0.92) USER MOD Set 3.2: A 401 THR OG1 : rot -103:sc= -0.358 USER MOD Set 3.3: A 440 HIS : no HE2:sc= -0.987 K(o=-0.88,f=-1.7) USER MOD Set 4.1: A 370 SER OG : rot -59:sc= -4.5! USER MOD Set 4.2: A 377 THR OG1 : rot -37:sc= 1.99 USER MOD Set 5.1: A 356 TYR OH : rot -30:sc= -0.584 USER MOD Set 5.2: A 358 LYS NZ :NH3+ -177:sc= 1.25 (180deg=0.00209) USER MOD Set 6.1: A 130 1RG OAG : rot 120:sc= -0.115 USER MOD Set 6.2: A 403 TYR OH : rot 80:sc= -2.98! USER MOD Single : A 130 1RG OAU : rot -31:sc= 0.505 USER MOD Single : A 130 1RG OBF : rot 165:sc= 0 USER MOD Single : A 339 HIS : no HE2:sc= -5.61 K(o=-5.6,f=-9.2!) USER MOD Single : A 340 MET CE :methyl -163:sc= -6.02! (180deg=-7.41!) USER MOD Single : A 343 THR OG1 : rot -5:sc= 1.04 USER MOD Single : A 344 TYR OH : rot 91:sc= 0.723 USER MOD Single : A 351 ASN : amide:sc= -2.42! K(o=-2.4!,f=-1.4) USER MOD Single : A 352 GLN : amide:sc= -2.89! C(o=-2.9!,f=-5.8!) USER MOD Single : A 353 HIS : no HE2:sc= -6.4! C(o=-6.4!,f=-6.5!) USER MOD Single : A 354 MET CE :methyl -132:sc= -5.09! (180deg=-5.86!) USER MOD Single : A 357 TYR OH : rot 36:sc= 0.871 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.55! USER MOD Single : A 372 LYS NZ :NH3+ 156:sc= 0.296 (180deg=0.103) USER MOD Single : A 374 THR OG1 : rot -152:sc= -3.08! USER MOD Single : A 375 THR OG1 : rot 105:sc= 1.22 USER MOD Single : A 383 TYR OH : rot -124:sc= 1.24 USER MOD Single : A 386 ASN : amide:sc= -1.83! K(o=-1.8!,f=-1.3) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 408 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 THR OG1 : rot -171:sc= 0.686 USER MOD Single : A 429 TYR OH : rot -128:sc= -4.55! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 445 THR OG1 : rot -136:sc= 0.469 USER MOD Single : A 448 SER OG : rot 180:sc= -0.302 USER MOD Single : A 451 LYS NZ :NH3+ -117:sc= 0.785 (180deg=-0.0374) USER MOD Single : A 456 MET CE :methyl -107:sc= -20.2! (180deg=-28.5!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -21:sc= -1.01! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 15.774 4.982 12.758 1.00 1.87 N ATOM 2 CA GLY A 338 14.724 3.977 13.048 1.00 1.09 C ATOM 3 C GLY A 338 14.619 2.948 11.949 1.00 1.10 C ATOM 4 O GLY A 338 15.437 2.950 11.026 1.00 1.67 O ATOM 0 HA2 GLY A 338 14.947 3.480 13.992 1.00 1.09 H new ATOM 0 HA3 GLY A 338 13.764 4.478 13.170 1.00 1.09 H new ATOM 10 N HIS A 339 13.603 2.083 12.034 1.00 0.72 N ATOM 11 CA HIS A 339 13.435 0.977 11.087 1.00 0.65 C ATOM 12 C HIS A 339 14.566 -0.005 11.214 1.00 0.55 C ATOM 13 O HIS A 339 15.436 0.085 12.086 1.00 0.84 O ATOM 14 CB HIS A 339 13.382 1.444 9.626 1.00 0.81 C ATOM 15 CG HIS A 339 12.327 2.438 9.277 1.00 0.45 C ATOM 16 ND1 HIS A 339 12.020 3.536 10.048 1.00 0.51 N ATOM 17 CD2 HIS A 339 11.571 2.540 8.170 1.00 0.32 C ATOM 18 CE1 HIS A 339 11.126 4.269 9.419 1.00 0.38 C ATOM 19 NE2 HIS A 339 10.845 3.691 8.276 1.00 0.47 N ATOM 0 H HIS A 339 12.881 2.129 12.753 1.00 0.72 H new ATOM 0 HA HIS A 339 12.482 0.513 11.340 1.00 0.65 H new ATOM 0 HB2 HIS A 339 14.351 1.873 9.371 1.00 0.81 H new ATOM 0 HB3 HIS A 339 13.245 0.567 8.993 1.00 0.81 H new ATOM 0 HD1 HIS A 339 12.421 3.748 10.961 1.00 0.51 H new ATOM 0 HD2 HIS A 339 11.543 1.840 7.348 1.00 0.32 H new ATOM 0 HE1 HIS A 339 10.696 5.191 9.783 1.00 0.38 H new ATOM 28 N MET A 340 14.475 -0.973 10.354 1.00 0.43 N ATOM 29 CA MET A 340 15.555 -1.856 10.010 1.00 0.31 C ATOM 30 C MET A 340 16.761 -1.073 9.480 1.00 0.33 C ATOM 31 O MET A 340 16.900 0.127 9.719 1.00 0.43 O ATOM 32 CB MET A 340 15.015 -2.720 8.900 1.00 0.26 C ATOM 33 CG MET A 340 14.295 -3.968 9.335 1.00 0.67 C ATOM 34 SD MET A 340 14.130 -5.161 7.990 1.00 0.61 S ATOM 35 CE MET A 340 13.969 -4.077 6.566 1.00 0.17 C ATOM 0 H MET A 340 13.612 -1.180 9.851 1.00 0.43 H new ATOM 0 HA MET A 340 15.888 -2.425 10.878 1.00 0.31 H new ATOM 0 HB2 MET A 340 14.333 -2.121 8.297 1.00 0.26 H new ATOM 0 HB3 MET A 340 15.843 -3.008 8.253 1.00 0.26 H new ATOM 0 HG2 MET A 340 14.835 -4.428 10.163 1.00 0.67 H new ATOM 0 HG3 MET A 340 13.305 -3.704 9.708 1.00 0.67 H new ATOM 0 HE1 MET A 340 13.564 -4.639 5.725 1.00 0.17 H new ATOM 0 HE2 MET A 340 13.297 -3.254 6.809 1.00 0.17 H new ATOM 0 HE3 MET A 340 14.948 -3.679 6.299 1.00 0.17 H new ATOM 45 N GLU A 341 17.638 -1.750 8.755 1.00 0.29 N ATOM 46 CA GLU A 341 18.539 -1.050 7.865 1.00 0.35 C ATOM 47 C GLU A 341 17.704 -0.274 6.864 1.00 0.30 C ATOM 48 O GLU A 341 16.518 -0.566 6.685 1.00 0.36 O ATOM 49 CB GLU A 341 19.465 -2.008 7.153 1.00 0.43 C ATOM 50 CG GLU A 341 20.687 -2.369 7.956 1.00 1.31 C ATOM 51 CD GLU A 341 21.347 -1.157 8.581 1.00 1.61 C ATOM 52 OE1 GLU A 341 21.866 -0.303 7.829 1.00 1.85 O1- ATOM 53 OE2 GLU A 341 21.335 -1.043 9.821 1.00 1.82 O ATOM 0 H GLU A 341 17.742 -2.765 8.766 1.00 0.29 H new ATOM 0 HA GLU A 341 19.166 -0.371 8.443 1.00 0.35 H new ATOM 0 HB2 GLU A 341 18.917 -2.918 6.911 1.00 0.43 H new ATOM 0 HB3 GLU A 341 19.779 -1.564 6.208 1.00 0.43 H new ATOM 0 HG2 GLU A 341 20.408 -3.072 8.741 1.00 1.31 H new ATOM 0 HG3 GLU A 341 21.404 -2.878 7.312 1.00 1.31 H new ATOM 60 N ASP A 342 18.295 0.711 6.215 1.00 0.24 N ATOM 61 CA ASP A 342 17.496 1.640 5.445 1.00 0.20 C ATOM 62 C ASP A 342 17.039 1.011 4.141 1.00 0.17 C ATOM 63 O ASP A 342 17.664 1.170 3.093 1.00 0.19 O ATOM 64 CB ASP A 342 18.274 2.922 5.157 1.00 0.22 C ATOM 65 CG ASP A 342 18.914 3.512 6.397 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.217 4.233 7.149 1.00 0.39 O ATOM 67 OD2 ASP A 342 20.114 3.263 6.629 1.00 0.43 O1- ATOM 0 H ASP A 342 19.300 0.885 6.205 1.00 0.24 H new ATOM 0 HA ASP A 342 16.618 1.890 6.040 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.048 2.714 4.418 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.602 3.658 4.715 1.00 0.22 H new ATOM 72 N THR A 343 15.937 0.296 4.238 1.00 0.13 N ATOM 73 CA THR A 343 15.172 -0.159 3.103 1.00 0.10 C ATOM 74 C THR A 343 13.759 -0.446 3.553 1.00 0.08 C ATOM 75 O THR A 343 13.563 -1.073 4.596 1.00 0.10 O ATOM 76 CB THR A 343 15.726 -1.429 2.452 1.00 0.11 C ATOM 77 OG1 THR A 343 17.049 -1.197 1.949 1.00 0.14 O ATOM 78 CG2 THR A 343 14.794 -1.842 1.325 1.00 0.08 C ATOM 0 H THR A 343 15.541 0.010 5.133 1.00 0.13 H new ATOM 0 HA THR A 343 15.221 0.636 2.359 1.00 0.10 H new ATOM 0 HB THR A 343 15.785 -2.227 3.192 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.283 -0.253 2.067 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.175 -2.746 0.851 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.800 -2.035 1.727 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.738 -1.041 0.587 1.00 0.08 H new ATOM 86 N TYR A 344 12.785 -0.002 2.778 1.00 0.07 N ATOM 87 CA TYR A 344 11.389 -0.164 3.158 1.00 0.06 C ATOM 88 C TYR A 344 10.474 0.531 2.190 1.00 0.06 C ATOM 89 O TYR A 344 10.881 1.425 1.483 1.00 0.06 O ATOM 90 CB TYR A 344 11.147 0.444 4.525 1.00 0.08 C ATOM 91 CG TYR A 344 11.546 1.900 4.625 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.861 2.235 4.890 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.624 2.928 4.464 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.256 3.550 4.996 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.009 4.245 4.568 1.00 0.11 C ATOM 96 CZ TYR A 344 12.325 4.554 4.838 1.00 0.13 C ATOM 97 OH TYR A 344 12.710 5.872 4.938 1.00 0.15 O ATOM 0 H TYR A 344 12.932 0.471 1.886 1.00 0.07 H new ATOM 0 HA TYR A 344 11.180 -1.234 3.162 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.090 0.349 4.773 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.702 -0.127 5.270 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.592 1.450 5.016 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.592 2.690 4.254 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.288 3.793 5.201 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.283 5.034 4.439 1.00 0.11 H new ATOM 0 HH TYR A 344 12.961 6.208 4.052 1.00 0.15 H new ATOM 107 N ILE A 345 9.239 0.098 2.147 1.00 0.06 N ATOM 108 CA ILE A 345 8.210 0.880 1.518 1.00 0.06 C ATOM 109 C ILE A 345 7.792 1.987 2.441 1.00 0.07 C ATOM 110 O ILE A 345 7.875 1.853 3.656 1.00 0.08 O ATOM 111 CB ILE A 345 6.951 0.082 1.186 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.252 -1.405 1.167 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.441 0.510 -0.167 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.310 -1.757 0.199 1.00 0.05 C ATOM 0 H ILE A 345 8.924 -0.789 2.539 1.00 0.06 H new ATOM 0 HA ILE A 345 8.642 1.247 0.587 1.00 0.06 H new ATOM 0 HB ILE A 345 6.197 0.273 1.949 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.556 -1.723 2.164 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.342 -1.953 0.921 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.542 -0.055 -0.412 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.207 1.574 -0.148 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.205 0.320 -0.921 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.485 -2.832 0.227 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.997 -1.466 -0.804 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.230 -1.233 0.459 1.00 0.05 H new ATOM 126 N GLU A 346 7.320 3.056 1.867 1.00 0.09 N ATOM 127 CA GLU A 346 6.953 4.218 2.632 1.00 0.12 C ATOM 128 C GLU A 346 5.830 4.946 1.928 1.00 0.17 C ATOM 129 O GLU A 346 5.760 4.933 0.716 1.00 0.21 O ATOM 130 CB GLU A 346 8.163 5.128 2.747 1.00 0.15 C ATOM 131 CG GLU A 346 7.873 6.350 3.572 1.00 0.13 C ATOM 132 CD GLU A 346 8.994 7.369 3.619 1.00 1.24 C ATOM 133 OE1 GLU A 346 9.965 7.170 4.381 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 8.930 8.364 2.864 1.00 1.53 O ATOM 0 H GLU A 346 7.178 3.149 0.861 1.00 0.09 H new ATOM 0 HA GLU A 346 6.619 3.923 3.627 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.990 4.577 3.194 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.484 5.431 1.751 1.00 0.15 H new ATOM 0 HG2 GLU A 346 6.979 6.833 3.178 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.643 6.037 4.590 1.00 0.13 H new ATOM 141 N VAL A 347 4.910 5.517 2.676 1.00 0.17 N ATOM 142 CA VAL A 347 3.840 6.271 2.077 1.00 0.17 C ATOM 143 C VAL A 347 3.573 7.547 2.837 1.00 0.20 C ATOM 144 O VAL A 347 4.007 7.710 3.965 1.00 0.45 O ATOM 145 CB VAL A 347 2.526 5.488 2.011 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.629 6.126 0.978 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.755 4.019 1.702 1.00 0.15 C ATOM 0 H VAL A 347 4.885 5.472 3.695 1.00 0.17 H new ATOM 0 HA VAL A 347 4.177 6.490 1.064 1.00 0.17 H new ATOM 0 HB VAL A 347 2.046 5.527 2.989 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.690 5.576 0.922 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.428 7.160 1.259 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.121 6.103 0.005 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.796 3.501 1.665 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.257 3.924 0.739 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.376 3.576 2.480 1.00 0.15 H new ATOM 157 N ASP A 348 2.888 8.448 2.174 1.00 0.10 N ATOM 158 CA ASP A 348 2.429 9.680 2.745 1.00 0.09 C ATOM 159 C ASP A 348 1.039 9.939 2.204 1.00 0.08 C ATOM 160 O ASP A 348 0.862 10.234 1.042 1.00 0.10 O ATOM 161 CB ASP A 348 3.378 10.806 2.335 1.00 0.12 C ATOM 162 CG ASP A 348 3.152 12.063 3.131 1.00 0.16 C ATOM 163 OD1 ASP A 348 1.975 12.384 3.418 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.141 12.723 3.502 1.00 0.24 O ATOM 0 H ASP A 348 2.630 8.335 1.194 1.00 0.10 H new ATOM 0 HA ASP A 348 2.405 9.629 3.834 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.408 10.476 2.467 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.246 11.021 1.275 1.00 0.12 H new ATOM 169 N LEU A 349 0.065 9.754 3.064 1.00 0.08 N ATOM 170 CA LEU A 349 -1.354 9.728 2.698 1.00 0.09 C ATOM 171 C LEU A 349 -1.889 11.112 2.638 1.00 0.12 C ATOM 172 O LEU A 349 -2.836 11.430 1.935 1.00 0.16 O ATOM 173 CB LEU A 349 -2.133 8.980 3.758 1.00 0.10 C ATOM 174 CG LEU A 349 -1.502 7.685 4.174 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.803 7.052 3.002 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.538 7.945 5.282 1.00 0.08 C ATOM 0 H LEU A 349 0.228 9.613 4.061 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.453 9.242 1.727 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.241 9.619 4.635 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.137 8.780 3.384 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.272 6.997 4.524 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.348 6.112 3.314 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.525 6.860 2.208 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.029 7.725 2.633 1.00 0.07 H new ATOM 0 HD21 LEU A 349 -0.075 7.007 5.589 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.233 8.635 4.939 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -1.066 8.384 6.129 1.00 0.08 H new ATOM 188 N GLU A 350 -1.284 11.881 3.513 1.00 0.13 N ATOM 189 CA GLU A 350 -1.511 13.298 3.655 1.00 0.15 C ATOM 190 C GLU A 350 -1.190 13.953 2.355 1.00 0.14 C ATOM 191 O GLU A 350 -1.866 14.855 1.874 1.00 0.17 O ATOM 192 CB GLU A 350 -0.551 13.815 4.687 1.00 0.18 C ATOM 193 CG GLU A 350 -0.405 12.897 5.832 1.00 0.19 C ATOM 194 CD GLU A 350 -0.625 13.570 7.166 1.00 0.28 C ATOM 195 OE1 GLU A 350 -1.794 13.694 7.581 1.00 0.60 O1- ATOM 196 OE2 GLU A 350 0.364 13.990 7.805 1.00 0.57 O ATOM 0 H GLU A 350 -0.593 11.521 4.171 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.542 13.501 3.944 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.424 13.973 4.225 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.895 14.785 5.045 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.115 12.077 5.725 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.593 12.459 5.813 1.00 0.19 H new ATOM 203 N ASN A 351 -0.063 13.500 1.867 1.00 0.12 N ATOM 204 CA ASN A 351 0.549 14.029 0.655 1.00 0.11 C ATOM 205 C ASN A 351 0.317 13.102 -0.517 1.00 0.09 C ATOM 206 O ASN A 351 0.873 13.279 -1.604 1.00 0.10 O ATOM 207 CB ASN A 351 2.037 14.217 0.905 1.00 0.13 C ATOM 208 CG ASN A 351 2.272 15.305 1.914 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.528 16.459 1.564 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.155 14.950 3.175 1.00 0.18 N ATOM 0 H ASN A 351 0.469 12.744 2.299 1.00 0.12 H new ATOM 0 HA ASN A 351 0.093 14.987 0.406 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.472 13.283 1.262 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.539 14.466 -0.030 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.277 15.643 3.913 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.942 13.982 3.415 1.00 0.18 H new ATOM 217 N GLN A 352 -0.528 12.115 -0.232 1.00 0.08 N ATOM 218 CA GLN A 352 -0.894 11.024 -1.132 1.00 0.08 C ATOM 219 C GLN A 352 0.229 10.607 -2.065 1.00 0.07 C ATOM 220 O GLN A 352 0.092 10.647 -3.286 1.00 0.08 O ATOM 221 CB GLN A 352 -2.156 11.327 -1.920 1.00 0.12 C ATOM 222 CG GLN A 352 -3.342 11.649 -1.044 1.00 0.21 C ATOM 223 CD GLN A 352 -3.435 13.128 -0.704 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.025 13.988 -1.481 1.00 2.15 O ATOM 225 NE2 GLN A 352 -3.957 13.431 0.469 1.00 1.89 N ATOM 0 H GLN A 352 -0.997 12.050 0.672 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.095 10.175 -0.478 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -1.967 12.168 -2.587 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.399 10.470 -2.548 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.257 11.338 -1.549 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.275 11.072 -0.122 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.287 12.690 1.087 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.031 14.407 0.758 1.00 1.89 H new ATOM 234 N HIS A 353 1.312 10.150 -1.481 1.00 0.05 N ATOM 235 CA HIS A 353 2.453 9.709 -2.245 1.00 0.05 C ATOM 236 C HIS A 353 3.077 8.498 -1.581 1.00 0.06 C ATOM 237 O HIS A 353 3.216 8.445 -0.376 1.00 0.07 O ATOM 238 CB HIS A 353 3.462 10.845 -2.372 1.00 0.06 C ATOM 239 CG HIS A 353 4.537 10.563 -3.361 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.515 10.975 -4.678 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.648 9.842 -3.217 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.583 10.493 -5.296 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.289 9.809 -4.420 1.00 0.07 N ATOM 0 H HIS A 353 1.426 10.074 -0.470 1.00 0.05 H new ATOM 0 HA HIS A 353 2.133 9.424 -3.247 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.939 11.756 -2.662 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.913 11.033 -1.398 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.794 11.556 -5.106 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.982 9.367 -2.307 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.831 10.636 -6.337 1.00 0.09 H new ATOM 252 N MET A 354 3.407 7.511 -2.383 1.00 0.05 N ATOM 253 CA MET A 354 3.995 6.297 -1.893 1.00 0.06 C ATOM 254 C MET A 354 5.427 6.165 -2.390 1.00 0.05 C ATOM 255 O MET A 354 5.797 6.739 -3.409 1.00 0.06 O ATOM 256 CB MET A 354 3.189 5.094 -2.330 1.00 0.07 C ATOM 257 CG MET A 354 3.504 3.847 -1.537 1.00 0.07 C ATOM 258 SD MET A 354 3.788 2.408 -2.571 1.00 0.06 S ATOM 259 CE MET A 354 5.010 3.072 -3.694 1.00 0.05 C ATOM 0 H MET A 354 3.273 7.533 -3.394 1.00 0.05 H new ATOM 0 HA MET A 354 3.997 6.338 -0.804 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.127 5.321 -2.232 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.378 4.902 -3.386 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.387 4.027 -0.924 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.680 3.640 -0.855 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.731 2.831 -4.720 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.062 4.154 -3.577 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.984 2.636 -3.471 1.00 0.05 H new ATOM 269 N TRP A 355 6.204 5.388 -1.676 1.00 0.05 N ATOM 270 CA TRP A 355 7.620 5.221 -1.931 1.00 0.07 C ATOM 271 C TRP A 355 8.059 3.804 -1.686 1.00 0.07 C ATOM 272 O TRP A 355 7.459 3.092 -0.897 1.00 0.11 O ATOM 273 CB TRP A 355 8.455 6.070 -0.976 1.00 0.08 C ATOM 274 CG TRP A 355 8.353 7.523 -1.177 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.075 8.279 -2.014 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.488 8.387 -0.486 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.695 9.587 -1.916 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.708 9.679 -0.956 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.538 8.178 0.483 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.980 10.762 -0.455 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.843 9.216 0.966 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.056 10.504 0.507 1.00 0.09 C ATOM 0 H TRP A 355 5.866 4.841 -0.884 1.00 0.05 H new ATOM 0 HA TRP A 355 7.769 5.513 -2.970 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.156 5.839 0.046 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.500 5.778 -1.076 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.847 7.908 -2.672 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.075 10.362 -2.459 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.352 7.181 0.854 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.146 11.765 -0.819 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.100 9.044 1.731 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.478 11.317 0.920 1.00 0.09 H new ATOM 293 N TYR A 356 9.113 3.414 -2.352 1.00 0.04 N ATOM 294 CA TYR A 356 9.977 2.392 -1.833 1.00 0.04 C ATOM 295 C TYR A 356 11.250 3.056 -1.465 1.00 0.04 C ATOM 296 O TYR A 356 11.634 4.036 -2.064 1.00 0.05 O ATOM 297 CB TYR A 356 10.308 1.341 -2.826 1.00 0.03 C ATOM 298 CG TYR A 356 11.204 0.250 -2.257 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.678 -0.773 -1.507 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.559 0.218 -2.517 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.459 -1.797 -1.056 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.359 -0.802 -2.050 1.00 0.10 C ATOM 303 CZ TYR A 356 12.795 -1.814 -1.327 1.00 0.05 C ATOM 304 OH TYR A 356 13.563 -2.871 -0.910 1.00 0.26 O ATOM 0 H TYR A 356 9.393 3.791 -3.258 1.00 0.04 H new ATOM 0 HA TYR A 356 9.466 1.911 -0.999 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.385 0.892 -3.193 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.802 1.800 -3.682 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.625 -0.767 -1.269 1.00 0.05 H new ATOM 0 HD2 TYR A 356 13.003 1.011 -3.100 1.00 0.05 H new ATOM 0 HE1 TYR A 356 11.017 -2.598 -0.482 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.420 -0.801 -2.253 1.00 0.10 H new ATOM 0 HH TYR A 356 13.184 -3.247 -0.088 1.00 0.26 H new ATOM 314 N TYR A 357 11.910 2.482 -0.542 1.00 0.05 N ATOM 315 CA TYR A 357 13.138 3.029 -0.040 1.00 0.06 C ATOM 316 C TYR A 357 14.219 1.997 -0.056 1.00 0.06 C ATOM 317 O TYR A 357 14.118 0.967 0.593 1.00 0.07 O ATOM 318 CB TYR A 357 12.988 3.554 1.374 1.00 0.07 C ATOM 319 CG TYR A 357 12.573 4.991 1.461 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.258 5.374 1.252 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.508 5.966 1.764 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.884 6.699 1.346 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.148 7.289 1.857 1.00 0.11 C ATOM 324 CZ TYR A 357 11.831 7.652 1.649 1.00 0.11 C ATOM 325 OH TYR A 357 11.447 8.967 1.760 1.00 0.14 O ATOM 0 H TYR A 357 11.625 1.609 -0.097 1.00 0.05 H new ATOM 0 HA TYR A 357 13.403 3.859 -0.695 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.253 2.944 1.899 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.936 3.430 1.897 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.516 4.626 1.013 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.537 5.682 1.930 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.856 6.987 1.183 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.889 8.039 2.091 1.00 0.11 H new ATOM 0 HH TYR A 357 10.553 9.014 2.158 1.00 0.14 H new ATOM 335 N LYS A 358 15.233 2.280 -0.816 1.00 0.07 N ATOM 336 CA LYS A 358 16.459 1.543 -0.752 1.00 0.09 C ATOM 337 C LYS A 358 17.516 2.532 -0.338 1.00 0.13 C ATOM 338 O LYS A 358 17.516 3.644 -0.798 1.00 0.25 O ATOM 339 CB LYS A 358 16.821 0.935 -2.090 1.00 0.11 C ATOM 340 CG LYS A 358 17.785 -0.203 -1.956 1.00 0.12 C ATOM 341 CD LYS A 358 17.083 -1.349 -1.344 1.00 0.09 C ATOM 342 CE LYS A 358 16.556 -2.231 -2.422 1.00 0.09 C ATOM 343 NZ LYS A 358 16.029 -3.522 -1.904 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.233 3.034 -1.503 1.00 0.07 H new ATOM 0 HA LYS A 358 16.368 0.715 -0.049 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.915 0.584 -2.584 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.256 1.703 -2.730 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.180 -0.480 -2.933 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.635 0.092 -1.340 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.764 -1.907 -0.701 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.266 -0.997 -0.714 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.763 -1.709 -2.957 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.349 -2.430 -3.142 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.722 -4.116 -2.700 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.776 -4.013 -1.372 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.220 -3.340 -1.276 1.00 0.10 H new ATOM 357 N ASP A 359 18.387 2.120 0.551 1.00 0.13 N ATOM 358 CA ASP A 359 19.544 2.924 0.955 1.00 0.16 C ATOM 359 C ASP A 359 19.172 4.143 1.768 1.00 0.16 C ATOM 360 O ASP A 359 19.991 5.035 1.976 1.00 0.28 O ATOM 361 CB ASP A 359 20.345 3.400 -0.236 1.00 0.19 C ATOM 362 CG ASP A 359 21.836 3.206 -0.053 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.494 4.104 0.514 1.00 0.39 O1- ATOM 364 OD2 ASP A 359 22.361 2.156 -0.478 1.00 0.43 O ATOM 0 H ASP A 359 18.325 1.218 1.023 1.00 0.13 H new ATOM 0 HA ASP A 359 20.139 2.251 1.573 1.00 0.16 H new ATOM 0 HB2 ASP A 359 20.019 2.862 -1.126 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.139 4.456 -0.409 1.00 0.19 H new ATOM 369 N GLY A 360 17.947 4.147 2.269 1.00 0.15 N ATOM 370 CA GLY A 360 17.426 5.324 2.945 1.00 0.15 C ATOM 371 C GLY A 360 16.979 6.381 1.998 1.00 0.14 C ATOM 372 O GLY A 360 16.582 7.478 2.390 1.00 0.18 O ATOM 0 H GLY A 360 17.302 3.359 2.222 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.589 5.033 3.579 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.196 5.732 3.601 1.00 0.15 H new ATOM 376 N LYS A 361 17.010 6.014 0.760 1.00 0.13 N ATOM 377 CA LYS A 361 16.597 6.855 -0.318 1.00 0.13 C ATOM 378 C LYS A 361 15.566 6.043 -1.059 1.00 0.09 C ATOM 379 O LYS A 361 15.305 4.916 -0.670 1.00 0.12 O ATOM 380 CB LYS A 361 17.821 7.139 -1.158 1.00 0.16 C ATOM 381 CG LYS A 361 18.272 5.947 -1.967 1.00 0.17 C ATOM 382 CD LYS A 361 19.211 6.321 -3.072 1.00 0.23 C ATOM 383 CE LYS A 361 18.535 7.280 -4.028 1.00 0.26 C ATOM 384 NZ LYS A 361 19.137 7.253 -5.387 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.333 5.094 0.460 1.00 0.13 H new ATOM 0 HA LYS A 361 16.174 7.814 -0.019 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.608 7.969 -1.832 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.635 7.458 -0.507 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.760 5.229 -1.308 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.400 5.449 -2.390 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.108 6.781 -2.657 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.530 5.426 -3.607 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.476 7.030 -4.099 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.598 8.292 -3.627 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.637 7.927 -6.001 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.141 7.517 -5.327 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.054 6.296 -5.784 1.00 0.37 H new ATOM 398 N VAL A 362 14.927 6.568 -2.068 1.00 0.09 N ATOM 399 CA VAL A 362 13.896 5.768 -2.679 1.00 0.07 C ATOM 400 C VAL A 362 14.229 5.136 -3.976 1.00 0.07 C ATOM 401 O VAL A 362 15.081 5.577 -4.743 1.00 0.10 O ATOM 402 CB VAL A 362 12.575 6.469 -2.834 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.146 6.997 -1.517 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.606 7.541 -3.851 1.00 0.09 C ATOM 0 H VAL A 362 15.086 7.492 -2.469 1.00 0.09 H new ATOM 0 HA VAL A 362 13.813 4.973 -1.937 1.00 0.07 H new ATOM 0 HB VAL A 362 11.851 5.739 -3.194 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.188 7.506 -1.624 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.042 6.173 -0.811 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.892 7.700 -1.147 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.624 8.009 -3.916 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.346 8.289 -3.568 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.871 7.116 -4.819 1.00 0.09 H new ATOM 414 N ALA A 363 13.457 4.095 -4.196 1.00 0.05 N ATOM 415 CA ALA A 363 13.542 3.282 -5.347 1.00 0.05 C ATOM 416 C ALA A 363 12.332 3.569 -6.163 1.00 0.05 C ATOM 417 O ALA A 363 12.291 3.425 -7.384 1.00 0.07 O ATOM 418 CB ALA A 363 13.545 1.828 -4.932 1.00 0.05 C ATOM 0 H ALA A 363 12.733 3.797 -3.543 1.00 0.05 H new ATOM 0 HA ALA A 363 14.452 3.483 -5.912 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.611 1.197 -5.818 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.401 1.636 -4.286 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.625 1.602 -4.393 1.00 0.05 H new ATOM 424 N LEU A 364 11.337 3.971 -5.414 1.00 0.04 N ATOM 425 CA LEU A 364 10.044 4.248 -5.922 1.00 0.04 C ATOM 426 C LEU A 364 9.525 5.526 -5.400 1.00 0.05 C ATOM 427 O LEU A 364 9.735 5.896 -4.248 1.00 0.06 O ATOM 428 CB LEU A 364 9.122 3.140 -5.510 1.00 0.04 C ATOM 429 CG LEU A 364 8.428 2.471 -6.646 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.439 2.144 -7.698 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.779 1.229 -6.153 1.00 0.05 C ATOM 0 H LEU A 364 11.420 4.115 -4.408 1.00 0.04 H new ATOM 0 HA LEU A 364 10.104 4.323 -7.008 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.693 2.394 -4.957 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.374 3.540 -4.826 1.00 0.04 H new ATOM 0 HG LEU A 364 7.666 3.126 -7.068 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.945 1.653 -8.537 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.915 3.062 -8.043 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.195 1.478 -7.282 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.269 0.733 -6.978 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.536 0.562 -5.741 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.056 1.480 -5.377 1.00 0.05 H new ATOM 443 N GLU A 365 8.817 6.162 -6.264 1.00 0.05 N ATOM 444 CA GLU A 365 8.156 7.363 -5.956 1.00 0.06 C ATOM 445 C GLU A 365 6.876 7.280 -6.691 1.00 0.05 C ATOM 446 O GLU A 365 6.874 7.193 -7.920 1.00 0.07 O ATOM 447 CB GLU A 365 8.995 8.503 -6.467 1.00 0.10 C ATOM 448 CG GLU A 365 9.210 9.617 -5.465 1.00 0.16 C ATOM 449 CD GLU A 365 10.380 10.505 -5.824 1.00 0.27 C ATOM 450 OE1 GLU A 365 11.518 10.185 -5.424 1.00 0.48 O ATOM 451 OE2 GLU A 365 10.170 11.524 -6.504 1.00 0.45 O1- ATOM 0 H GLU A 365 8.683 5.848 -7.225 1.00 0.05 H new ATOM 0 HA GLU A 365 7.992 7.518 -4.890 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.966 8.115 -6.775 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.521 8.917 -7.357 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.306 10.222 -5.401 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.376 9.186 -4.478 1.00 0.16 H new ATOM 458 N THR A 366 5.796 7.291 -5.987 1.00 0.05 N ATOM 459 CA THR A 366 4.569 7.203 -6.658 1.00 0.06 C ATOM 460 C THR A 366 3.489 7.920 -5.917 1.00 0.06 C ATOM 461 O THR A 366 3.627 8.262 -4.764 1.00 0.07 O ATOM 462 CB THR A 366 4.205 5.730 -6.878 1.00 0.06 C ATOM 463 OG1 THR A 366 3.638 5.543 -8.156 1.00 0.07 O ATOM 464 CG2 THR A 366 3.223 5.260 -5.842 1.00 0.07 C ATOM 0 H THR A 366 5.748 7.359 -4.970 1.00 0.05 H new ATOM 0 HA THR A 366 4.668 7.690 -7.628 1.00 0.06 H new ATOM 0 HB THR A 366 5.125 5.151 -6.796 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.118 6.092 -8.810 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.980 4.212 -6.019 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.661 5.368 -4.850 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.314 5.858 -5.904 1.00 0.07 H new ATOM 472 N ASP A 367 2.431 8.149 -6.601 1.00 0.07 N ATOM 473 CA ASP A 367 1.314 8.825 -6.067 1.00 0.09 C ATOM 474 C ASP A 367 0.217 7.825 -5.755 1.00 0.09 C ATOM 475 O ASP A 367 -0.039 6.915 -6.530 1.00 0.11 O ATOM 476 CB ASP A 367 0.923 9.868 -7.094 1.00 0.13 C ATOM 477 CG ASP A 367 0.657 9.333 -8.499 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.261 8.312 -8.898 1.00 1.80 O1- ATOM 479 OD2 ASP A 367 -0.128 9.973 -9.232 1.00 1.65 O ATOM 0 H ASP A 367 2.317 7.863 -7.573 1.00 0.07 H new ATOM 0 HA ASP A 367 1.525 9.325 -5.122 1.00 0.09 H new ATOM 0 HB2 ASP A 367 0.028 10.382 -6.743 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.716 10.613 -7.151 1.00 0.13 H new ATOM 484 N ILE A 368 -0.362 7.946 -4.565 1.00 0.09 N ATOM 485 CA ILE A 368 -1.303 6.957 -4.069 1.00 0.08 C ATOM 486 C ILE A 368 -2.532 7.584 -3.502 1.00 0.07 C ATOM 487 O ILE A 368 -2.741 8.790 -3.557 1.00 0.08 O ATOM 488 CB ILE A 368 -0.700 6.103 -2.959 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.073 6.961 -1.993 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.168 5.042 -3.547 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.774 7.597 -0.908 1.00 0.08 C ATOM 0 H ILE A 368 -0.193 8.723 -3.927 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.551 6.345 -4.936 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.506 5.621 -2.406 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.847 6.353 -1.524 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.580 7.749 -2.550 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.595 4.437 -2.747 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.427 4.408 -4.204 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.971 5.505 -4.120 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.139 8.197 -0.256 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.532 8.234 -1.364 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.261 6.817 -0.322 1.00 0.08 H new ATOM 503 N VAL A 369 -3.312 6.725 -2.910 1.00 0.07 N ATOM 504 CA VAL A 369 -4.464 7.110 -2.159 1.00 0.08 C ATOM 505 C VAL A 369 -4.713 6.052 -1.102 1.00 0.09 C ATOM 506 O VAL A 369 -4.846 4.864 -1.396 1.00 0.10 O ATOM 507 CB VAL A 369 -5.719 7.374 -3.049 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.463 7.044 -4.524 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.944 6.628 -2.533 1.00 0.09 C ATOM 0 H VAL A 369 -3.158 5.717 -2.939 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.270 8.069 -1.680 1.00 0.08 H new ATOM 0 HB VAL A 369 -5.924 8.443 -2.984 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.364 7.244 -5.103 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.647 7.662 -4.899 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.195 5.992 -4.620 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.796 6.838 -3.179 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.744 5.557 -2.532 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.169 6.956 -1.518 1.00 0.09 H new ATOM 519 N SER A 370 -4.650 6.501 0.129 1.00 0.09 N ATOM 520 CA SER A 370 -4.892 5.664 1.292 1.00 0.08 C ATOM 521 C SER A 370 -6.383 5.389 1.452 1.00 0.08 C ATOM 522 O SER A 370 -7.155 5.648 0.530 1.00 0.10 O ATOM 523 CB SER A 370 -4.266 6.255 2.561 1.00 0.13 C ATOM 524 OG SER A 370 -3.274 5.405 3.063 1.00 1.26 O ATOM 0 H SER A 370 -4.427 7.469 0.360 1.00 0.09 H new ATOM 0 HA SER A 370 -4.398 4.706 1.130 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.837 7.232 2.340 1.00 0.13 H new ATOM 0 HB3 SER A 370 -5.037 6.408 3.316 1.00 0.13 H new ATOM 0 HG SER A 370 -3.665 4.530 3.266 1.00 1.26 H new ATOM 530 N GLY A 371 -6.803 4.836 2.570 1.00 0.09 N ATOM 531 CA GLY A 371 -8.183 4.428 2.668 1.00 0.12 C ATOM 532 C GLY A 371 -9.084 5.563 3.101 1.00 0.12 C ATOM 533 O GLY A 371 -8.620 6.671 3.375 1.00 0.14 O ATOM 0 H GLY A 371 -6.230 4.664 3.396 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.518 4.049 1.702 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.268 3.607 3.380 1.00 0.12 H new ATOM 537 N LYS A 372 -10.373 5.290 3.133 1.00 0.16 N ATOM 538 CA LYS A 372 -11.384 6.331 3.265 1.00 0.16 C ATOM 539 C LYS A 372 -11.514 6.806 4.717 1.00 0.18 C ATOM 540 O LYS A 372 -11.188 6.094 5.655 1.00 0.21 O ATOM 541 CB LYS A 372 -12.714 5.776 2.764 1.00 0.19 C ATOM 542 CG LYS A 372 -13.362 4.821 3.731 1.00 0.27 C ATOM 543 CD LYS A 372 -13.880 3.607 3.014 1.00 0.47 C ATOM 544 CE LYS A 372 -14.985 3.999 2.078 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.400 2.887 1.185 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.753 4.345 3.069 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.088 7.196 2.671 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.396 6.604 2.570 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.553 5.267 1.814 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.641 4.520 4.491 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.181 5.320 4.249 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.073 3.130 2.458 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.245 2.876 3.735 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.845 4.335 2.658 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.660 4.844 1.472 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.377 3.045 0.865 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -14.768 2.850 0.360 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.346 1.987 1.703 1.00 0.79 H new ATOM 559 N PRO A 373 -12.001 8.059 4.880 1.00 0.19 N ATOM 560 CA PRO A 373 -12.114 8.773 6.170 1.00 0.21 C ATOM 561 C PRO A 373 -12.890 8.013 7.206 1.00 0.24 C ATOM 562 O PRO A 373 -12.752 8.226 8.405 1.00 0.28 O ATOM 563 CB PRO A 373 -12.958 9.971 5.801 1.00 0.23 C ATOM 564 CG PRO A 373 -12.595 10.251 4.412 1.00 0.21 C ATOM 565 CD PRO A 373 -12.492 8.903 3.783 1.00 0.19 C ATOM 0 HA PRO A 373 -11.127 8.967 6.591 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -14.022 9.754 5.899 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.746 10.822 6.448 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.349 10.864 3.919 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.652 10.794 4.348 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.456 8.558 3.410 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.805 8.905 2.937 1.00 0.19 H new ATOM 573 N THR A 374 -13.783 7.201 6.702 1.00 0.25 N ATOM 574 CA THR A 374 -14.690 6.442 7.539 1.00 0.28 C ATOM 575 C THR A 374 -13.930 5.336 8.258 1.00 0.30 C ATOM 576 O THR A 374 -14.254 4.945 9.380 1.00 0.33 O ATOM 577 CB THR A 374 -15.825 5.822 6.705 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.340 4.713 5.945 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.385 6.850 5.752 1.00 0.29 C ATOM 0 H THR A 374 -13.906 7.044 5.702 1.00 0.25 H new ATOM 0 HA THR A 374 -15.127 7.124 8.268 1.00 0.28 H new ATOM 0 HB THR A 374 -16.603 5.483 7.389 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.880 4.611 5.134 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.188 6.403 5.165 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.776 7.696 6.318 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.596 7.195 5.084 1.00 0.29 H new ATOM 587 N THR A 375 -12.907 4.858 7.575 1.00 0.28 N ATOM 588 CA THR A 375 -12.033 3.809 8.066 1.00 0.31 C ATOM 589 C THR A 375 -10.604 4.127 7.661 1.00 0.29 C ATOM 590 O THR A 375 -9.981 3.505 6.797 1.00 0.29 O ATOM 591 CB THR A 375 -12.501 2.441 7.580 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.482 1.440 7.736 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.963 2.528 6.134 1.00 0.31 C ATOM 0 H THR A 375 -12.655 5.194 6.646 1.00 0.28 H new ATOM 0 HA THR A 375 -12.070 3.767 9.155 1.00 0.31 H new ATOM 0 HB THR A 375 -13.344 2.136 8.200 1.00 0.34 H new ATOM 0 HG1 THR A 375 -11.700 0.867 8.501 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.295 1.545 5.798 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.789 3.235 6.058 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.137 2.866 5.508 1.00 0.31 H new ATOM 601 N PRO A 376 -10.123 5.155 8.324 1.00 0.28 N ATOM 602 CA PRO A 376 -8.882 5.862 8.049 1.00 0.26 C ATOM 603 C PRO A 376 -7.638 5.022 8.068 1.00 0.26 C ATOM 604 O PRO A 376 -7.541 4.009 8.764 1.00 0.38 O ATOM 605 CB PRO A 376 -8.847 6.894 9.166 1.00 0.29 C ATOM 606 CG PRO A 376 -10.255 7.117 9.456 1.00 0.32 C ATOM 607 CD PRO A 376 -10.822 5.753 9.437 1.00 0.32 C ATOM 0 HA PRO A 376 -8.880 6.260 7.034 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.310 6.524 10.039 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.350 7.812 8.851 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.396 7.598 10.424 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.723 7.759 8.710 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.636 5.220 10.370 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.901 5.761 9.284 1.00 0.32 H new ATOM 615 N THR A 377 -6.681 5.474 7.301 1.00 0.17 N ATOM 616 CA THR A 377 -5.396 4.901 7.284 1.00 0.21 C ATOM 617 C THR A 377 -4.609 5.393 8.504 1.00 0.17 C ATOM 618 O THR A 377 -4.597 6.588 8.802 1.00 0.21 O ATOM 619 CB THR A 377 -4.739 5.304 5.964 1.00 0.33 C ATOM 620 OG1 THR A 377 -5.374 4.608 4.888 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.266 5.030 5.957 1.00 0.22 C ATOM 0 H THR A 377 -6.792 6.265 6.666 1.00 0.17 H new ATOM 0 HA THR A 377 -5.429 3.813 7.345 1.00 0.21 H new ATOM 0 HB THR A 377 -4.865 6.380 5.841 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.608 3.702 5.178 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.844 5.333 4.999 1.00 0.22 H new ATOM 0 HG22 THR A 377 -2.787 5.593 6.758 1.00 0.22 H new ATOM 0 HG23 THR A 377 -3.093 3.965 6.109 1.00 0.22 H new ATOM 629 N PRO A 378 -3.977 4.471 9.253 1.00 0.14 N ATOM 630 CA PRO A 378 -3.314 4.782 10.525 1.00 0.15 C ATOM 631 C PRO A 378 -2.035 5.565 10.314 1.00 0.13 C ATOM 632 O PRO A 378 -1.795 6.576 10.971 1.00 0.16 O ATOM 633 CB PRO A 378 -2.983 3.385 11.078 1.00 0.17 C ATOM 634 CG PRO A 378 -3.844 2.460 10.304 1.00 0.19 C ATOM 635 CD PRO A 378 -3.822 3.046 8.942 1.00 0.17 C ATOM 0 HA PRO A 378 -3.932 5.394 11.182 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.927 3.147 10.946 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.193 3.322 12.146 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.453 1.443 10.312 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.855 2.416 10.708 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.890 2.837 8.417 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.631 2.669 8.317 1.00 0.17 H new ATOM 643 N ALA A 379 -1.245 5.087 9.369 1.00 0.11 N ATOM 644 CA ALA A 379 0.078 5.613 9.086 1.00 0.10 C ATOM 645 C ALA A 379 1.031 5.522 10.269 1.00 0.10 C ATOM 646 O ALA A 379 0.677 5.688 11.440 1.00 0.13 O ATOM 647 CB ALA A 379 0.028 7.017 8.520 1.00 0.11 C ATOM 0 H ALA A 379 -1.510 4.308 8.766 1.00 0.11 H new ATOM 0 HA ALA A 379 0.488 4.962 8.314 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.042 7.367 8.325 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.540 7.014 7.590 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.453 7.682 9.237 1.00 0.11 H new ATOM 653 N GLY A 380 2.251 5.238 9.904 1.00 0.10 N ATOM 654 CA GLY A 380 3.329 5.049 10.826 1.00 0.11 C ATOM 655 C GLY A 380 4.285 4.032 10.270 1.00 0.12 C ATOM 656 O GLY A 380 4.955 4.285 9.272 1.00 0.20 O ATOM 0 H GLY A 380 2.527 5.129 8.928 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.845 5.994 10.999 1.00 0.11 H new ATOM 0 HA3 GLY A 380 2.944 4.715 11.790 1.00 0.11 H new ATOM 660 N VAL A 381 4.313 2.868 10.883 1.00 0.12 N ATOM 661 CA VAL A 381 5.115 1.772 10.391 1.00 0.13 C ATOM 662 C VAL A 381 4.269 0.495 10.309 1.00 0.15 C ATOM 663 O VAL A 381 3.592 0.112 11.264 1.00 0.25 O ATOM 664 CB VAL A 381 6.343 1.567 11.300 1.00 0.17 C ATOM 665 CG1 VAL A 381 5.989 0.815 12.574 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.471 0.875 10.548 1.00 0.82 C ATOM 0 H VAL A 381 3.785 2.657 11.730 1.00 0.12 H new ATOM 0 HA VAL A 381 5.470 2.008 9.388 1.00 0.13 H new ATOM 0 HB VAL A 381 6.692 2.556 11.598 1.00 0.17 H new ATOM 0 HG11 VAL A 381 6.883 0.693 13.185 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.242 1.378 13.133 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.588 -0.166 12.318 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.324 0.743 11.213 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.130 -0.099 10.197 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.767 1.485 9.694 1.00 0.82 H new ATOM 676 N PHE A 382 4.251 -0.115 9.143 1.00 0.09 N ATOM 677 CA PHE A 382 3.642 -1.418 8.962 1.00 0.09 C ATOM 678 C PHE A 382 4.718 -2.338 8.384 1.00 0.09 C ATOM 679 O PHE A 382 5.875 -1.930 8.293 1.00 0.10 O ATOM 680 CB PHE A 382 2.385 -1.372 8.077 1.00 0.10 C ATOM 681 CG PHE A 382 1.458 -0.211 8.354 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.009 0.045 9.646 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.021 0.615 7.328 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.151 1.091 9.897 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.156 1.660 7.579 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.214 1.950 8.860 1.00 0.18 C ATOM 0 H PHE A 382 4.658 0.277 8.294 1.00 0.09 H new ATOM 0 HA PHE A 382 3.287 -1.796 9.921 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.694 -1.331 7.033 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.831 -2.301 8.209 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.337 -0.584 10.460 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.363 0.437 6.319 1.00 0.12 H new ATOM 0 HE1 PHE A 382 -0.238 1.246 10.892 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.229 2.250 6.760 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.787 2.841 9.070 1.00 0.18 H new ATOM 696 N TYR A 383 4.403 -3.562 8.015 1.00 0.11 N ATOM 697 CA TYR A 383 5.469 -4.475 7.621 1.00 0.11 C ATOM 698 C TYR A 383 5.087 -5.350 6.429 1.00 0.11 C ATOM 699 O TYR A 383 4.097 -6.074 6.469 1.00 0.13 O ATOM 700 CB TYR A 383 5.784 -5.347 8.829 1.00 0.13 C ATOM 701 CG TYR A 383 7.241 -5.697 8.962 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.173 -4.718 9.273 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.682 -6.998 8.789 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.508 -5.024 9.409 1.00 0.39 C ATOM 705 CE2 TYR A 383 9.014 -7.320 8.922 1.00 0.49 C ATOM 706 CZ TYR A 383 9.927 -6.326 9.237 1.00 0.50 C ATOM 707 OH TYR A 383 11.260 -6.634 9.373 1.00 0.65 O ATOM 0 H TYR A 383 3.457 -3.943 7.978 1.00 0.11 H new ATOM 0 HA TYR A 383 6.335 -3.894 7.304 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.460 -4.830 9.733 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.204 -6.267 8.762 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.846 -3.698 9.411 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.970 -7.773 8.546 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.222 -4.250 9.649 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.345 -8.339 8.782 1.00 0.49 H new ATOM 0 HH TYR A 383 11.581 -7.068 8.555 1.00 0.65 H new ATOM 717 N VAL A 384 5.888 -5.273 5.356 1.00 0.09 N ATOM 718 CA VAL A 384 5.740 -6.201 4.244 1.00 0.09 C ATOM 719 C VAL A 384 6.551 -7.434 4.518 1.00 0.13 C ATOM 720 O VAL A 384 7.741 -7.540 4.205 1.00 0.16 O ATOM 721 CB VAL A 384 6.103 -5.630 2.855 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.393 -4.860 2.897 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.188 -6.748 1.809 1.00 0.08 C ATOM 0 H VAL A 384 6.633 -4.585 5.242 1.00 0.09 H new ATOM 0 HA VAL A 384 4.675 -6.426 4.187 1.00 0.09 H new ATOM 0 HB VAL A 384 5.307 -4.943 2.568 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.618 -4.473 1.903 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.299 -4.030 3.597 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.199 -5.518 3.221 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.445 -6.321 0.840 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.954 -7.465 2.104 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.225 -7.254 1.739 1.00 0.08 H new ATOM 733 N TRP A 385 5.881 -8.370 5.109 1.00 0.18 N ATOM 734 CA TRP A 385 6.479 -9.634 5.425 1.00 0.23 C ATOM 735 C TRP A 385 6.263 -10.561 4.240 1.00 0.12 C ATOM 736 O TRP A 385 6.565 -11.753 4.288 1.00 0.21 O ATOM 737 CB TRP A 385 5.892 -10.192 6.726 1.00 0.48 C ATOM 738 CG TRP A 385 4.436 -10.544 6.629 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.365 -9.687 6.701 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.884 -11.852 6.444 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.200 -10.390 6.568 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.488 -11.713 6.408 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.435 -13.128 6.301 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.636 -12.791 6.237 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.586 -14.203 6.129 1.00 2.11 C ATOM 746 CH2 TRP A 385 2.198 -14.029 6.098 1.00 2.55 C ATOM 0 H TRP A 385 4.904 -8.283 5.388 1.00 0.18 H new ATOM 0 HA TRP A 385 7.550 -9.529 5.597 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.453 -11.081 7.016 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.027 -9.457 7.520 1.00 0.48 H new ATOM 0 HD1 TRP A 385 3.433 -8.618 6.842 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.263 -9.988 6.586 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.505 -13.271 6.325 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.564 -12.658 6.214 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 4.000 -15.194 6.017 1.00 2.11 H new ATOM 0 HH2 TRP A 385 1.559 -14.889 5.962 1.00 2.55 H new ATOM 757 N ASN A 386 5.744 -9.966 3.162 1.00 0.10 N ATOM 758 CA ASN A 386 5.567 -10.654 1.896 1.00 0.14 C ATOM 759 C ASN A 386 5.185 -9.665 0.799 1.00 0.11 C ATOM 760 O ASN A 386 4.253 -8.887 0.938 1.00 0.12 O ATOM 761 CB ASN A 386 4.481 -11.721 2.030 1.00 0.27 C ATOM 762 CG ASN A 386 4.310 -12.531 0.759 1.00 0.33 C ATOM 763 OD1 ASN A 386 5.001 -13.529 0.549 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.385 -12.117 -0.086 1.00 0.31 N ATOM 0 H ASN A 386 5.437 -8.993 3.150 1.00 0.10 H new ATOM 0 HA ASN A 386 6.509 -11.130 1.626 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.731 -12.390 2.853 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.535 -11.243 2.284 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.220 -12.629 -0.953 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.835 -11.285 0.127 1.00 0.31 H new ATOM 771 N LYS A 387 5.946 -9.712 -0.273 1.00 0.11 N ATOM 772 CA LYS A 387 5.648 -9.004 -1.520 1.00 0.09 C ATOM 773 C LYS A 387 5.014 -9.974 -2.500 1.00 0.08 C ATOM 774 O LYS A 387 5.437 -11.123 -2.605 1.00 0.13 O ATOM 775 CB LYS A 387 6.934 -8.412 -2.131 1.00 0.13 C ATOM 776 CG LYS A 387 8.233 -8.940 -1.537 1.00 0.38 C ATOM 777 CD LYS A 387 8.362 -10.427 -1.749 1.00 0.20 C ATOM 778 CE LYS A 387 8.787 -10.773 -3.153 1.00 0.40 C ATOM 779 NZ LYS A 387 9.003 -12.235 -3.327 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.810 -10.253 -0.313 1.00 0.11 H new ATOM 0 HA LYS A 387 4.961 -8.185 -1.309 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.934 -8.612 -3.202 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.911 -7.329 -2.009 1.00 0.13 H new ATOM 0 HG2 LYS A 387 9.080 -8.429 -1.995 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.266 -8.717 -0.470 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.088 -10.830 -1.043 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.407 -10.906 -1.533 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.027 -10.433 -3.856 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.706 -10.240 -3.395 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 9.294 -12.429 -4.306 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 9.747 -12.556 -2.675 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.119 -12.743 -3.121 1.00 1.12 H new ATOM 793 N GLU A 388 4.008 -9.500 -3.217 1.00 0.09 N ATOM 794 CA GLU A 388 3.152 -10.377 -3.999 1.00 0.10 C ATOM 795 C GLU A 388 3.073 -10.041 -5.464 1.00 0.10 C ATOM 796 O GLU A 388 3.300 -8.915 -5.886 1.00 0.10 O ATOM 797 CB GLU A 388 1.743 -10.311 -3.459 1.00 0.09 C ATOM 798 CG GLU A 388 1.456 -11.283 -2.391 1.00 0.15 C ATOM 799 CD GLU A 388 1.601 -12.725 -2.823 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.632 -13.290 -3.374 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.680 -13.301 -2.608 1.00 0.71 O1- ATOM 0 H GLU A 388 3.764 -8.511 -3.274 1.00 0.09 H new ATOM 0 HA GLU A 388 3.602 -11.366 -3.910 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.559 -9.306 -3.078 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.044 -10.474 -4.280 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.126 -11.096 -1.552 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.440 -11.122 -2.029 1.00 0.15 H new ATOM 808 N GLU A 389 2.698 -11.061 -6.200 1.00 0.10 N ATOM 809 CA GLU A 389 2.263 -10.962 -7.558 1.00 0.11 C ATOM 810 C GLU A 389 0.957 -11.700 -7.637 1.00 0.16 C ATOM 811 O GLU A 389 0.746 -12.713 -6.970 1.00 0.28 O ATOM 812 CB GLU A 389 3.251 -11.576 -8.530 1.00 0.14 C ATOM 813 CG GLU A 389 4.505 -10.770 -8.725 1.00 0.16 C ATOM 814 CD GLU A 389 5.475 -11.447 -9.669 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.010 -12.519 -9.317 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 5.692 -10.925 -10.782 1.00 0.38 O ATOM 0 H GLU A 389 2.690 -12.018 -5.847 1.00 0.10 H new ATOM 0 HA GLU A 389 2.169 -9.912 -7.837 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.523 -12.570 -8.175 1.00 0.14 H new ATOM 0 HB3 GLU A 389 2.762 -11.705 -9.495 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.246 -9.786 -9.116 1.00 0.16 H new ATOM 0 HG3 GLU A 389 4.988 -10.613 -7.761 1.00 0.16 H new ATOM 823 N ASP A 390 0.092 -11.145 -8.478 1.00 0.12 N ATOM 824 CA ASP A 390 -1.166 -11.763 -8.868 1.00 0.15 C ATOM 825 C ASP A 390 -1.967 -12.150 -7.634 1.00 0.16 C ATOM 826 O ASP A 390 -2.746 -13.096 -7.625 1.00 0.25 O ATOM 827 CB ASP A 390 -0.832 -12.942 -9.769 1.00 0.19 C ATOM 828 CG ASP A 390 -2.041 -13.697 -10.291 1.00 0.28 C ATOM 829 OD1 ASP A 390 -2.683 -13.220 -11.252 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.368 -14.761 -9.727 1.00 0.36 O1- ATOM 0 H ASP A 390 0.250 -10.237 -8.915 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.802 -11.073 -9.423 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.250 -12.581 -10.617 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.196 -13.635 -9.218 1.00 0.19 H new ATOM 835 N ALA A 391 -1.801 -11.301 -6.626 1.00 0.12 N ATOM 836 CA ALA A 391 -2.357 -11.476 -5.302 1.00 0.11 C ATOM 837 C ALA A 391 -3.812 -11.120 -5.328 1.00 0.10 C ATOM 838 O ALA A 391 -4.288 -10.560 -6.294 1.00 0.11 O ATOM 839 CB ALA A 391 -1.653 -10.528 -4.366 1.00 0.10 C ATOM 0 H ALA A 391 -1.255 -10.444 -6.718 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.232 -12.509 -4.976 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.057 -10.643 -3.360 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.586 -10.751 -4.356 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.806 -9.503 -4.703 1.00 0.10 H new ATOM 845 N THR A 392 -4.530 -11.452 -4.296 1.00 0.11 N ATOM 846 CA THR A 392 -5.890 -10.993 -4.201 1.00 0.11 C ATOM 847 C THR A 392 -6.175 -10.401 -2.850 1.00 0.11 C ATOM 848 O THR A 392 -6.070 -11.055 -1.813 1.00 0.14 O ATOM 849 CB THR A 392 -6.914 -12.086 -4.526 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.561 -12.742 -5.749 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.299 -11.477 -4.661 1.00 0.15 C ATOM 0 H THR A 392 -4.207 -12.029 -3.519 1.00 0.11 H new ATOM 0 HA THR A 392 -5.997 -10.216 -4.958 1.00 0.11 H new ATOM 0 HB THR A 392 -6.917 -12.814 -3.715 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.220 -13.440 -5.948 1.00 0.17 H new ATOM 0 HG21 THR A 392 -9.020 -12.261 -4.892 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.577 -10.993 -3.725 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.295 -10.739 -5.463 1.00 0.15 H new ATOM 859 N LEU A 393 -6.530 -9.147 -2.893 1.00 0.10 N ATOM 860 CA LEU A 393 -6.837 -8.379 -1.706 1.00 0.12 C ATOM 861 C LEU A 393 -8.201 -8.701 -1.174 1.00 0.15 C ATOM 862 O LEU A 393 -9.201 -8.067 -1.503 1.00 0.16 O ATOM 863 CB LEU A 393 -6.737 -6.924 -2.050 1.00 0.11 C ATOM 864 CG LEU A 393 -5.349 -6.320 -2.019 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.343 -7.296 -2.565 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.338 -5.081 -2.862 1.00 0.51 C ATOM 0 H LEU A 393 -6.617 -8.618 -3.761 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.125 -8.633 -0.921 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.151 -6.779 -3.048 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.369 -6.365 -1.359 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.087 -6.079 -0.989 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.349 -6.849 -2.537 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.350 -8.203 -1.960 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.600 -7.545 -3.595 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.342 -4.639 -2.846 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.605 -5.336 -3.887 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.059 -4.366 -2.467 1.00 0.51 H new ATOM 878 N LYS A 394 -8.205 -9.694 -0.361 1.00 0.18 N ATOM 879 CA LYS A 394 -9.386 -10.167 0.300 1.00 0.23 C ATOM 880 C LYS A 394 -9.471 -9.734 1.730 1.00 0.29 C ATOM 881 O LYS A 394 -8.611 -9.009 2.237 1.00 0.29 O ATOM 882 CB LYS A 394 -9.324 -11.634 0.220 1.00 0.25 C ATOM 883 CG LYS A 394 -9.364 -12.055 -1.174 1.00 0.23 C ATOM 884 CD LYS A 394 -9.806 -13.422 -1.237 1.00 0.27 C ATOM 885 CE LYS A 394 -9.221 -13.963 -2.466 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.434 -15.422 -2.653 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.365 -10.222 -0.124 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.272 -9.753 -0.182 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.410 -11.995 0.692 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.159 -12.073 0.766 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.039 -11.414 -1.742 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.377 -11.957 -1.625 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.474 -13.983 -0.364 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -10.894 -13.483 -1.260 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.644 -13.433 -3.320 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.150 -13.761 -2.464 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -8.991 -15.726 -3.543 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.006 -15.940 -1.859 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.454 -15.622 -2.688 1.00 0.33 H new ATOM 900 N GLY A 395 -10.542 -10.144 2.357 1.00 0.34 N ATOM 901 CA GLY A 395 -10.750 -9.774 3.721 1.00 0.41 C ATOM 902 C GLY A 395 -12.173 -9.385 3.968 1.00 0.46 C ATOM 903 O GLY A 395 -13.059 -9.728 3.185 1.00 0.43 O ATOM 0 H GLY A 395 -11.272 -10.727 1.947 1.00 0.34 H new ATOM 0 HA2 GLY A 395 -10.480 -10.606 4.371 1.00 0.41 H new ATOM 0 HA3 GLY A 395 -10.094 -8.943 3.979 1.00 0.41 H new ATOM 907 N THR A 396 -12.401 -8.637 5.028 1.00 0.53 N ATOM 908 CA THR A 396 -13.693 -8.059 5.234 1.00 0.58 C ATOM 909 C THR A 396 -13.613 -6.551 5.241 1.00 0.61 C ATOM 910 O THR A 396 -12.652 -5.973 5.741 1.00 0.66 O ATOM 911 CB THR A 396 -14.358 -8.515 6.539 1.00 0.67 C ATOM 912 OG1 THR A 396 -14.047 -9.885 6.812 1.00 0.69 O ATOM 913 CG2 THR A 396 -15.847 -8.355 6.414 1.00 0.71 C ATOM 0 H THR A 396 -11.711 -8.422 5.747 1.00 0.53 H new ATOM 0 HA THR A 396 -14.305 -8.407 4.402 1.00 0.58 H new ATOM 0 HB THR A 396 -13.983 -7.904 7.360 1.00 0.67 H new ATOM 0 HG1 THR A 396 -14.478 -10.158 7.649 1.00 0.69 H new ATOM 0 HG21 THR A 396 -16.326 -8.677 7.338 1.00 0.71 H new ATOM 0 HG22 THR A 396 -16.086 -7.308 6.227 1.00 0.71 H new ATOM 0 HG23 THR A 396 -16.210 -8.963 5.586 1.00 0.71 H new ATOM 921 N ASN A 397 -14.608 -5.930 4.631 1.00 0.62 N ATOM 922 CA ASN A 397 -14.820 -4.513 4.762 1.00 0.71 C ATOM 923 C ASN A 397 -14.988 -4.175 6.227 1.00 0.84 C ATOM 924 O ASN A 397 -15.420 -5.016 7.020 1.00 0.84 O ATOM 925 CB ASN A 397 -16.083 -4.145 4.008 1.00 0.72 C ATOM 926 CG ASN A 397 -15.778 -3.663 2.612 1.00 0.69 C ATOM 927 OD1 ASN A 397 -15.619 -2.468 2.373 1.00 0.77 O ATOM 928 ND2 ASN A 397 -15.685 -4.592 1.679 1.00 0.59 N ATOM 0 H ASN A 397 -15.287 -6.401 4.033 1.00 0.62 H new ATOM 0 HA ASN A 397 -13.972 -3.961 4.357 1.00 0.71 H new ATOM 0 HB2 ASN A 397 -16.743 -5.011 3.958 1.00 0.72 H new ATOM 0 HB3 ASN A 397 -16.619 -3.368 4.553 1.00 0.72 H new ATOM 0 HD21 ASN A 397 -15.474 -4.329 0.716 1.00 0.59 H new ATOM 0 HD22 ASN A 397 -15.824 -5.573 1.921 1.00 0.59 H new ATOM 935 N ASP A 398 -14.672 -2.936 6.572 1.00 0.97 N ATOM 936 CA ASP A 398 -14.799 -2.440 7.943 1.00 1.13 C ATOM 937 C ASP A 398 -16.242 -2.461 8.394 1.00 1.15 C ATOM 938 O ASP A 398 -16.566 -2.077 9.517 1.00 1.25 O ATOM 939 CB ASP A 398 -14.307 -1.026 8.025 1.00 1.29 C ATOM 940 CG ASP A 398 -13.471 -0.757 9.265 1.00 1.90 C ATOM 941 OD1 ASP A 398 -14.047 -0.612 10.362 1.00 2.27 O1- ATOM 942 OD2 ASP A 398 -12.225 -0.702 9.154 1.00 2.28 O ATOM 0 H ASP A 398 -14.320 -2.242 5.913 1.00 0.97 H new ATOM 0 HA ASP A 398 -14.205 -3.090 8.586 1.00 1.13 H new ATOM 0 HB2 ASP A 398 -13.714 -0.802 7.138 1.00 1.29 H new ATOM 0 HB3 ASP A 398 -15.161 -0.349 8.016 1.00 1.29 H new ATOM 947 N ASP A 399 -17.104 -2.884 7.492 1.00 1.06 N ATOM 948 CA ASP A 399 -18.523 -2.949 7.759 1.00 1.09 C ATOM 949 C ASP A 399 -19.018 -4.376 7.755 1.00 1.01 C ATOM 950 O ASP A 399 -20.215 -4.634 7.873 1.00 1.05 O ATOM 951 CB ASP A 399 -19.324 -2.142 6.744 1.00 1.09 C ATOM 952 CG ASP A 399 -18.663 -2.065 5.385 1.00 1.65 C ATOM 953 OD1 ASP A 399 -18.809 -3.018 4.594 1.00 2.27 O1- ATOM 954 OD2 ASP A 399 -17.992 -1.056 5.100 1.00 2.15 O ATOM 0 H ASP A 399 -16.840 -3.191 6.556 1.00 1.06 H new ATOM 0 HA ASP A 399 -18.672 -2.519 8.749 1.00 1.09 H new ATOM 0 HB2 ASP A 399 -20.313 -2.588 6.635 1.00 1.09 H new ATOM 0 HB3 ASP A 399 -19.470 -1.132 7.127 1.00 1.09 H new ATOM 959 N GLY A 400 -18.085 -5.302 7.623 1.00 0.94 N ATOM 960 CA GLY A 400 -18.405 -6.685 7.820 1.00 0.92 C ATOM 961 C GLY A 400 -18.785 -7.372 6.549 1.00 0.84 C ATOM 962 O GLY A 400 -19.361 -8.457 6.554 1.00 0.90 O ATOM 0 H GLY A 400 -17.112 -5.114 7.382 1.00 0.94 H new ATOM 0 HA2 GLY A 400 -17.548 -7.193 8.262 1.00 0.92 H new ATOM 0 HA3 GLY A 400 -19.226 -6.767 8.533 1.00 0.92 H new ATOM 966 N THR A 401 -18.413 -6.746 5.468 1.00 0.76 N ATOM 967 CA THR A 401 -18.777 -7.212 4.156 1.00 0.68 C ATOM 968 C THR A 401 -17.525 -7.679 3.403 1.00 0.60 C ATOM 969 O THR A 401 -16.732 -6.876 2.912 1.00 0.57 O ATOM 970 CB THR A 401 -19.544 -6.100 3.406 1.00 0.70 C ATOM 971 OG1 THR A 401 -18.660 -5.082 2.925 1.00 0.69 O ATOM 972 CG2 THR A 401 -20.529 -5.448 4.356 1.00 0.81 C ATOM 0 H THR A 401 -17.848 -5.897 5.470 1.00 0.76 H new ATOM 0 HA THR A 401 -19.443 -8.071 4.231 1.00 0.68 H new ATOM 0 HB THR A 401 -20.051 -6.561 2.558 1.00 0.70 H new ATOM 0 HG1 THR A 401 -18.721 -4.295 3.506 1.00 0.69 H new ATOM 0 HG21 THR A 401 -21.074 -4.662 3.833 1.00 0.81 H new ATOM 0 HG22 THR A 401 -21.233 -6.196 4.720 1.00 0.81 H new ATOM 0 HG23 THR A 401 -19.990 -5.016 5.199 1.00 0.81 H new ATOM 980 N PRO A 402 -17.289 -8.996 3.373 1.00 0.57 N ATOM 981 CA PRO A 402 -16.097 -9.578 2.759 1.00 0.50 C ATOM 982 C PRO A 402 -15.945 -9.233 1.302 1.00 0.44 C ATOM 983 O PRO A 402 -16.923 -8.993 0.588 1.00 0.46 O ATOM 984 CB PRO A 402 -16.299 -11.066 2.931 1.00 0.53 C ATOM 985 CG PRO A 402 -17.742 -11.244 3.191 1.00 0.60 C ATOM 986 CD PRO A 402 -18.152 -10.037 3.947 1.00 0.63 C ATOM 0 HA PRO A 402 -15.188 -9.196 3.224 1.00 0.50 H new ATOM 0 HB2 PRO A 402 -15.992 -11.609 2.037 1.00 0.53 H new ATOM 0 HB3 PRO A 402 -15.702 -11.450 3.758 1.00 0.53 H new ATOM 0 HG2 PRO A 402 -18.302 -11.335 2.260 1.00 0.60 H new ATOM 0 HG3 PRO A 402 -17.930 -12.151 3.765 1.00 0.60 H new ATOM 0 HD2 PRO A 402 -19.209 -9.810 3.808 1.00 0.63 H new ATOM 0 HD3 PRO A 402 -17.989 -10.154 5.018 1.00 0.63 H new ATOM 994 N TYR A 403 -14.702 -9.208 0.875 1.00 0.37 N ATOM 995 CA TYR A 403 -14.373 -8.689 -0.441 1.00 0.33 C ATOM 996 C TYR A 403 -13.124 -9.304 -1.012 1.00 0.27 C ATOM 997 O TYR A 403 -12.384 -10.010 -0.326 1.00 0.27 O ATOM 998 CB TYR A 403 -14.152 -7.185 -0.385 1.00 0.35 C ATOM 999 CG TYR A 403 -12.946 -6.799 0.445 1.00 0.35 C ATOM 1000 CD1 TYR A 403 -12.983 -6.842 1.834 1.00 0.40 C ATOM 1001 CD2 TYR A 403 -11.757 -6.404 -0.168 1.00 0.32 C ATOM 1002 CE1 TYR A 403 -11.871 -6.496 2.579 1.00 0.42 C ATOM 1003 CE2 TYR A 403 -10.649 -6.062 0.575 1.00 0.33 C ATOM 1004 CZ TYR A 403 -10.712 -6.108 1.947 1.00 0.37 C ATOM 1005 OH TYR A 403 -9.606 -5.787 2.693 1.00 0.41 O ATOM 0 H TYR A 403 -13.902 -9.539 1.415 1.00 0.37 H new ATOM 0 HA TYR A 403 -15.220 -8.941 -1.079 1.00 0.33 H new ATOM 0 HB2 TYR A 403 -14.027 -6.803 -1.398 1.00 0.35 H new ATOM 0 HB3 TYR A 403 -15.040 -6.707 0.029 1.00 0.35 H new ATOM 0 HD1 TYR A 403 -13.889 -7.149 2.336 1.00 0.40 H new ATOM 0 HD2 TYR A 403 -11.704 -6.366 -1.246 1.00 0.32 H new ATOM 0 HE1 TYR A 403 -11.912 -6.530 3.658 1.00 0.42 H new ATOM 0 HE2 TYR A 403 -9.737 -5.760 0.083 1.00 0.33 H new ATOM 0 HH TYR A 403 -9.152 -6.608 2.975 1.00 0.41 H new ATOM 1015 N GLU A 404 -12.876 -8.965 -2.266 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.660 -9.351 -2.949 1.00 0.21 C ATOM 1017 C GLU A 404 -11.226 -8.276 -3.926 1.00 0.20 C ATOM 1018 O GLU A 404 -12.055 -7.547 -4.470 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.854 -10.645 -3.715 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.033 -11.850 -2.817 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.442 -12.408 -2.848 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -14.023 -12.494 -3.949 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -13.974 -12.764 -1.773 1.00 0.53 O ATOM 0 H GLU A 404 -13.516 -8.413 -2.837 1.00 0.25 H new ATOM 0 HA GLU A 404 -10.893 -9.489 -2.187 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.726 -10.549 -4.362 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -10.993 -10.808 -4.363 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.333 -12.629 -3.120 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -11.780 -11.574 -1.793 1.00 0.24 H new ATOM 1030 N SER A 405 -9.923 -8.153 -4.106 1.00 0.16 N ATOM 1031 CA SER A 405 -9.375 -7.310 -5.139 1.00 0.15 C ATOM 1032 C SER A 405 -8.122 -7.951 -5.669 1.00 0.13 C ATOM 1033 O SER A 405 -7.050 -7.823 -5.081 1.00 0.11 O ATOM 1034 CB SER A 405 -9.005 -5.939 -4.598 1.00 0.15 C ATOM 1035 OG SER A 405 -9.764 -5.607 -3.443 1.00 0.19 O ATOM 0 H SER A 405 -9.223 -8.634 -3.541 1.00 0.16 H new ATOM 0 HA SER A 405 -10.128 -7.192 -5.918 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.943 -5.919 -4.354 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.169 -5.187 -5.370 1.00 0.15 H new ATOM 0 HG SER A 405 -9.499 -4.720 -3.121 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.234 -8.652 -6.781 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.116 -9.339 -7.373 1.00 0.14 C ATOM 1043 C PRO A 406 -6.116 -8.357 -7.916 1.00 0.13 C ATOM 1044 O PRO A 406 -6.345 -7.667 -8.911 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.748 -10.207 -8.457 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.189 -10.208 -8.117 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.449 -8.863 -7.541 1.00 0.18 C ATOM 0 HA PRO A 406 -6.551 -9.943 -6.663 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.572 -9.796 -9.451 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.336 -11.216 -8.452 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.803 -10.384 -9.000 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.425 -10.996 -7.402 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.592 -8.105 -8.311 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.338 -8.848 -6.911 1.00 0.18 H new ATOM 1055 N VAL A 407 -5.002 -8.339 -7.244 1.00 0.10 N ATOM 1056 CA VAL A 407 -4.001 -7.346 -7.398 1.00 0.09 C ATOM 1057 C VAL A 407 -2.790 -8.005 -8.040 1.00 0.11 C ATOM 1058 O VAL A 407 -2.673 -9.222 -8.041 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.733 -6.802 -5.979 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.462 -7.273 -5.360 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.912 -5.315 -5.870 1.00 0.08 C ATOM 0 H VAL A 407 -4.765 -9.047 -6.549 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.282 -6.514 -8.044 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.519 -7.253 -5.373 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.359 -6.839 -4.365 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.476 -8.360 -5.282 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.620 -6.964 -5.979 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.708 -4.998 -4.847 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.222 -4.815 -6.549 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.936 -5.051 -6.135 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.927 -7.227 -8.628 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.796 -7.773 -9.356 1.00 0.12 C ATOM 1073 C ASN A 408 0.386 -7.851 -8.440 1.00 0.10 C ATOM 1074 O ASN A 408 1.325 -8.595 -8.692 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.498 -6.888 -10.549 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.606 -6.955 -11.567 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.536 -7.707 -12.540 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.654 -6.192 -11.324 1.00 0.38 N ATOM 0 H ASN A 408 -1.977 -6.208 -8.623 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.025 -8.776 -9.716 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.367 -5.858 -10.217 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.441 -7.197 -11.009 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.454 -6.208 -11.956 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.664 -5.586 -10.504 1.00 0.38 H new ATOM 1085 N TYR A 409 0.310 -7.091 -7.362 1.00 0.08 N ATOM 1086 CA TYR A 409 1.426 -6.906 -6.451 1.00 0.06 C ATOM 1087 C TYR A 409 0.883 -6.454 -5.115 1.00 0.06 C ATOM 1088 O TYR A 409 0.169 -5.454 -5.034 1.00 0.06 O ATOM 1089 CB TYR A 409 2.457 -5.892 -6.979 1.00 0.06 C ATOM 1090 CG TYR A 409 3.062 -6.279 -8.310 1.00 0.08 C ATOM 1091 CD1 TYR A 409 4.225 -7.033 -8.361 1.00 0.11 C ATOM 1092 CD2 TYR A 409 2.504 -5.852 -9.507 1.00 0.13 C ATOM 1093 CE1 TYR A 409 4.818 -7.352 -9.562 1.00 0.17 C ATOM 1094 CE2 TYR A 409 3.088 -6.177 -10.717 1.00 0.18 C ATOM 1095 CZ TYR A 409 4.100 -7.057 -10.766 1.00 0.17 C ATOM 1096 OH TYR A 409 4.830 -7.239 -11.943 1.00 0.27 O ATOM 0 H TYR A 409 -0.532 -6.582 -7.092 1.00 0.08 H new ATOM 0 HA TYR A 409 1.950 -7.857 -6.352 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.978 -4.918 -7.077 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.255 -5.783 -6.245 1.00 0.06 H new ATOM 0 HD1 TYR A 409 4.674 -7.377 -7.441 1.00 0.11 H new ATOM 0 HD2 TYR A 409 1.602 -5.258 -9.493 1.00 0.13 H new ATOM 0 HE1 TYR A 409 5.795 -7.811 -9.595 1.00 0.17 H new ATOM 0 HE2 TYR A 409 2.728 -5.721 -11.627 1.00 0.18 H new ATOM 0 HH TYR A 409 4.268 -7.017 -12.714 1.00 0.27 H new ATOM 1106 N TRP A 410 1.242 -7.171 -4.077 1.00 0.06 N ATOM 1107 CA TRP A 410 0.591 -7.035 -2.790 1.00 0.06 C ATOM 1108 C TRP A 410 1.566 -7.194 -1.651 1.00 0.06 C ATOM 1109 O TRP A 410 2.421 -8.068 -1.653 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.492 -8.094 -2.727 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.136 -8.286 -1.414 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.307 -9.462 -0.806 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.708 -7.296 -0.579 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -1.988 -9.284 0.376 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.242 -7.938 0.539 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.816 -5.932 -0.688 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.891 -7.226 1.556 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.444 -5.219 0.295 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -2.983 -5.861 1.416 1.00 0.07 C ATOM 0 H TRP A 410 1.991 -7.864 -4.097 1.00 0.06 H new ATOM 0 HA TRP A 410 0.166 -6.036 -2.688 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.264 -7.839 -3.454 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.061 -9.045 -3.040 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.962 -10.412 -1.186 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.260 -10.024 1.024 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.406 -5.423 -1.548 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.304 -7.730 2.417 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.525 -4.146 0.205 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.477 -5.278 2.179 1.00 0.07 H new ATOM 1130 N MET A 411 1.458 -6.309 -0.698 1.00 0.08 N ATOM 1131 CA MET A 411 2.205 -6.434 0.519 1.00 0.09 C ATOM 1132 C MET A 411 1.214 -6.591 1.668 1.00 0.12 C ATOM 1133 O MET A 411 0.690 -5.594 2.170 1.00 0.14 O ATOM 1134 CB MET A 411 3.085 -5.206 0.737 1.00 0.10 C ATOM 1135 CG MET A 411 3.819 -4.703 -0.503 1.00 0.09 C ATOM 1136 SD MET A 411 4.976 -5.900 -1.182 1.00 0.06 S ATOM 1137 CE MET A 411 5.870 -4.890 -2.360 1.00 0.06 C ATOM 0 H MET A 411 0.854 -5.488 -0.744 1.00 0.08 H new ATOM 0 HA MET A 411 2.860 -7.304 0.467 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.464 -4.398 1.124 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.822 -5.439 1.506 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.088 -4.441 -1.268 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.358 -3.790 -0.252 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.516 -5.107 -3.368 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.704 -3.836 -2.136 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.935 -5.111 -2.294 1.00 0.06 H new ATOM 1147 N PRO A 412 0.896 -7.841 2.058 1.00 0.13 N ATOM 1148 CA PRO A 412 -0.056 -8.134 3.144 1.00 0.19 C ATOM 1149 C PRO A 412 0.473 -7.713 4.507 1.00 0.25 C ATOM 1150 O PRO A 412 0.825 -8.544 5.334 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.193 -9.661 3.087 1.00 0.24 C ATOM 1152 CG PRO A 412 1.059 -10.135 2.447 1.00 0.23 C ATOM 1153 CD PRO A 412 1.431 -9.075 1.457 1.00 0.16 C ATOM 0 HA PRO A 412 -0.995 -7.595 3.018 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.311 -10.084 4.085 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.068 -9.957 2.509 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.848 -10.276 3.186 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.908 -11.096 1.955 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.510 -9.018 1.317 1.00 0.16 H new ATOM 0 HD3 PRO A 412 0.992 -9.268 0.478 1.00 0.16 H new ATOM 1161 N ILE A 413 0.547 -6.408 4.719 1.00 0.17 N ATOM 1162 CA ILE A 413 1.131 -5.854 5.928 1.00 0.22 C ATOM 1163 C ILE A 413 0.161 -6.000 7.102 1.00 0.37 C ATOM 1164 O ILE A 413 -0.294 -5.029 7.715 1.00 0.88 O ATOM 1165 CB ILE A 413 1.565 -4.379 5.709 1.00 0.18 C ATOM 1166 CG1 ILE A 413 0.373 -3.431 5.681 1.00 0.18 C ATOM 1167 CG2 ILE A 413 2.314 -4.257 4.399 1.00 0.15 C ATOM 1168 CD1 ILE A 413 0.703 -2.049 5.163 1.00 0.16 C ATOM 0 H ILE A 413 0.206 -5.707 4.061 1.00 0.17 H new ATOM 0 HA ILE A 413 2.032 -6.417 6.173 1.00 0.22 H new ATOM 0 HB ILE A 413 2.205 -4.101 6.547 1.00 0.18 H new ATOM 0 HG12 ILE A 413 -0.409 -3.865 5.058 1.00 0.18 H new ATOM 0 HG13 ILE A 413 -0.033 -3.344 6.689 1.00 0.18 H new ATOM 0 HG21 ILE A 413 2.617 -3.221 4.248 1.00 0.15 H new ATOM 0 HG22 ILE A 413 3.198 -4.894 4.425 1.00 0.15 H new ATOM 0 HG23 ILE A 413 1.667 -4.568 3.579 1.00 0.15 H new ATOM 0 HD11 ILE A 413 -0.196 -1.432 5.173 1.00 0.16 H new ATOM 0 HD12 ILE A 413 1.463 -1.594 5.799 1.00 0.16 H new ATOM 0 HD13 ILE A 413 1.080 -2.123 4.143 1.00 0.16 H new ATOM 1180 N ASP A 414 -0.084 -7.238 7.469 1.00 0.65 N ATOM 1181 CA ASP A 414 -1.127 -7.537 8.423 1.00 0.84 C ATOM 1182 C ASP A 414 -0.576 -7.453 9.821 1.00 0.90 C ATOM 1183 O ASP A 414 0.339 -8.181 10.195 1.00 1.48 O ATOM 1184 CB ASP A 414 -1.725 -8.920 8.175 1.00 1.53 C ATOM 1185 CG ASP A 414 -2.792 -8.923 7.098 1.00 2.06 C ATOM 1186 OD1 ASP A 414 -2.449 -8.688 5.918 1.00 2.49 O1- ATOM 1187 OD2 ASP A 414 -3.979 -9.133 7.420 1.00 2.33 O ATOM 0 H ASP A 414 0.424 -8.052 7.122 1.00 0.65 H new ATOM 0 HA ASP A 414 -1.923 -6.802 8.302 1.00 0.84 H new ATOM 0 HB2 ASP A 414 -0.929 -9.608 7.891 1.00 1.53 H new ATOM 0 HB3 ASP A 414 -2.154 -9.296 9.104 1.00 1.53 H new ATOM 1192 N TRP A 415 -1.233 -6.626 10.601 1.00 0.81 N ATOM 1193 CA TRP A 415 -0.735 -6.148 11.873 1.00 1.12 C ATOM 1194 C TRP A 415 -1.790 -5.220 12.436 1.00 0.88 C ATOM 1195 O TRP A 415 -2.370 -5.453 13.501 1.00 1.14 O ATOM 1196 CB TRP A 415 0.572 -5.365 11.661 1.00 1.66 C ATOM 1197 CG TRP A 415 1.783 -6.017 12.250 1.00 1.44 C ATOM 1198 CD1 TRP A 415 2.172 -5.991 13.556 1.00 1.66 C ATOM 1199 CD2 TRP A 415 2.774 -6.772 11.549 1.00 1.39 C ATOM 1200 NE1 TRP A 415 3.340 -6.701 13.712 1.00 1.92 N ATOM 1201 CE2 TRP A 415 3.728 -7.192 12.489 1.00 1.61 C ATOM 1202 CE3 TRP A 415 2.940 -7.142 10.213 1.00 1.49 C ATOM 1203 CZ2 TRP A 415 4.830 -7.963 12.128 1.00 1.72 C ATOM 1204 CZ3 TRP A 415 4.024 -7.902 9.859 1.00 1.40 C ATOM 1205 CH2 TRP A 415 4.956 -8.306 10.807 1.00 1.42 C ATOM 0 H TRP A 415 -2.153 -6.256 10.363 1.00 0.81 H new ATOM 0 HA TRP A 415 -0.534 -6.979 12.549 1.00 1.12 H new ATOM 0 HB2 TRP A 415 0.731 -5.229 10.591 1.00 1.66 H new ATOM 0 HB3 TRP A 415 0.461 -4.371 12.095 1.00 1.66 H new ATOM 0 HD1 TRP A 415 1.642 -5.488 14.351 1.00 1.66 H new ATOM 0 HE1 TRP A 415 3.837 -6.840 14.592 1.00 1.92 H new ATOM 0 HE3 TRP A 415 2.223 -6.833 9.467 1.00 1.49 H new ATOM 0 HZ2 TRP A 415 5.558 -8.279 12.861 1.00 1.72 H new ATOM 0 HZ3 TRP A 415 4.156 -8.191 8.827 1.00 1.40 H new ATOM 0 HH2 TRP A 415 5.799 -8.904 10.496 1.00 1.42 H new ATOM 1216 N THR A 416 -2.033 -4.171 11.662 1.00 0.62 N ATOM 1217 CA THR A 416 -2.963 -3.120 12.014 1.00 0.61 C ATOM 1218 C THR A 416 -4.141 -3.089 11.041 1.00 0.52 C ATOM 1219 O THR A 416 -5.207 -2.554 11.354 1.00 0.71 O ATOM 1220 CB THR A 416 -2.235 -1.768 11.994 1.00 0.76 C ATOM 1221 OG1 THR A 416 -1.583 -1.591 10.727 1.00 0.82 O ATOM 1222 CG2 THR A 416 -1.203 -1.703 13.107 1.00 0.95 C ATOM 0 H THR A 416 -1.580 -4.029 10.759 1.00 0.62 H new ATOM 0 HA THR A 416 -3.350 -3.315 13.014 1.00 0.61 H new ATOM 0 HB THR A 416 -2.967 -0.975 12.146 1.00 0.76 H new ATOM 0 HG1 THR A 416 -1.005 -0.800 10.764 1.00 0.82 H new ATOM 0 HG21 THR A 416 -0.697 -0.738 13.078 1.00 0.95 H new ATOM 0 HG22 THR A 416 -1.699 -1.824 14.070 1.00 0.95 H new ATOM 0 HG23 THR A 416 -0.472 -2.500 12.973 1.00 0.95 H new ATOM 1230 N GLY A 417 -3.941 -3.656 9.854 1.00 0.42 N ATOM 1231 CA GLY A 417 -5.021 -3.762 8.893 1.00 0.48 C ATOM 1232 C GLY A 417 -4.616 -3.362 7.491 1.00 0.49 C ATOM 1233 O GLY A 417 -5.060 -3.968 6.522 1.00 0.68 O ATOM 0 H GLY A 417 -3.050 -4.043 9.542 1.00 0.42 H new ATOM 0 HA2 GLY A 417 -5.386 -4.789 8.879 1.00 0.48 H new ATOM 0 HA3 GLY A 417 -5.850 -3.133 9.218 1.00 0.48 H new ATOM 1237 N VAL A 418 -3.765 -2.350 7.397 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.354 -1.760 6.117 1.00 0.26 C ATOM 1239 C VAL A 418 -2.706 -2.794 5.181 1.00 0.24 C ATOM 1240 O VAL A 418 -2.490 -3.947 5.556 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.360 -0.600 6.371 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.049 0.201 5.104 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -2.906 0.311 7.448 1.00 0.75 C ATOM 0 H VAL A 418 -3.334 -1.908 8.209 1.00 0.32 H new ATOM 0 HA VAL A 418 -4.253 -1.387 5.627 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.420 -1.043 6.700 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.347 1.001 5.342 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.608 -0.458 4.356 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.970 0.631 4.711 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.205 1.126 7.625 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -3.864 0.720 7.127 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.043 -0.256 8.369 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.428 -2.374 3.953 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.661 -3.169 3.031 1.00 0.18 C ATOM 1255 C GLY A 419 -1.430 -2.427 1.752 1.00 0.14 C ATOM 1256 O GLY A 419 -2.366 -2.045 1.066 1.00 0.15 O ATOM 0 H GLY A 419 -2.731 -1.475 3.579 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.704 -3.433 3.481 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.185 -4.102 2.825 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.182 -2.211 1.440 1.00 0.10 N ATOM 1261 CA ILE A 420 0.169 -1.526 0.228 1.00 0.08 C ATOM 1262 C ILE A 420 0.127 -2.480 -0.953 1.00 0.08 C ATOM 1263 O ILE A 420 0.489 -3.653 -0.830 1.00 0.09 O ATOM 1264 CB ILE A 420 1.574 -0.939 0.340 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.547 0.326 1.187 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.136 -0.662 -1.032 1.00 0.08 C ATOM 1267 CD1 ILE A 420 2.537 0.298 2.313 1.00 0.29 C ATOM 0 H ILE A 420 0.612 -2.501 2.011 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.552 -0.724 0.072 1.00 0.08 H new ATOM 0 HB ILE A 420 2.224 -1.663 0.831 1.00 0.07 H new ATOM 0 HG12 ILE A 420 1.753 1.187 0.551 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.545 0.463 1.594 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.138 -0.244 -0.937 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.183 -1.591 -1.600 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.494 0.049 -1.551 1.00 0.08 H new ATOM 0 HD11 ILE A 420 2.470 1.227 2.880 1.00 0.29 H new ATOM 0 HD12 ILE A 420 2.318 -0.544 2.969 1.00 0.29 H new ATOM 0 HD13 ILE A 420 3.544 0.191 1.910 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.323 -1.975 -2.092 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.531 -2.817 -3.250 1.00 0.06 C ATOM 1281 C HIS A 421 -0.567 -2.002 -4.523 1.00 0.07 C ATOM 1282 O HIS A 421 -0.790 -0.796 -4.489 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.849 -3.543 -3.086 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.049 -2.666 -3.036 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.635 -2.076 -4.129 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.787 -2.309 -1.968 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.692 -1.385 -3.697 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.832 -1.496 -2.389 1.00 0.08 N ATOM 0 H HIS A 421 -0.549 -0.991 -2.234 1.00 0.07 H new ATOM 0 HA HIS A 421 0.296 -3.523 -3.324 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.965 -4.245 -3.912 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.810 -4.132 -2.170 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.320 -2.152 -5.096 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.597 -2.607 -0.947 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.347 -0.810 -4.334 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.362 -2.670 -5.646 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.518 -2.039 -6.936 1.00 0.07 C ATOM 1298 C ASP A 422 -1.998 -2.083 -7.308 1.00 0.11 C ATOM 1299 O ASP A 422 -2.703 -3.009 -6.944 1.00 0.20 O ATOM 1300 CB ASP A 422 0.333 -2.760 -7.986 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.445 -3.795 -8.790 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.909 -4.792 -8.192 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.597 -3.614 -10.015 1.00 0.80 O ATOM 0 H ASP A 422 -0.087 -3.651 -5.685 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.180 -1.004 -6.896 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.755 -2.023 -8.669 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.170 -3.251 -7.490 1.00 0.09 H new ATOM 1308 N SER A 423 -2.478 -1.070 -7.988 1.00 0.09 N ATOM 1309 CA SER A 423 -3.904 -0.942 -8.240 1.00 0.11 C ATOM 1310 C SER A 423 -4.133 -0.626 -9.688 1.00 0.14 C ATOM 1311 O SER A 423 -4.087 0.525 -10.116 1.00 0.17 O ATOM 1312 CB SER A 423 -4.517 0.143 -7.344 1.00 0.14 C ATOM 1313 OG SER A 423 -5.904 0.253 -7.567 1.00 0.23 O ATOM 0 H SER A 423 -1.908 -0.320 -8.379 1.00 0.09 H new ATOM 0 HA SER A 423 -4.393 -1.887 -8.003 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.331 -0.096 -6.297 1.00 0.14 H new ATOM 0 HB3 SER A 423 -4.035 1.100 -7.543 1.00 0.14 H new ATOM 0 HG SER A 423 -6.385 -0.305 -6.920 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.416 -1.678 -10.430 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.592 -1.587 -11.860 1.00 0.21 C ATOM 1321 C ASP A 424 -6.005 -1.133 -12.165 1.00 0.24 C ATOM 1322 O ASP A 424 -6.325 -0.679 -13.263 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.295 -2.942 -12.488 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.612 -3.003 -13.969 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.804 -2.499 -14.777 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.663 -3.571 -14.335 1.00 0.37 O ATOM 0 H ASP A 424 -4.530 -2.620 -10.055 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.903 -0.856 -12.282 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.242 -3.180 -12.340 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.871 -3.708 -11.969 1.00 0.24 H new ATOM 1331 N TRP A 425 -6.843 -1.259 -11.146 1.00 0.24 N ATOM 1332 CA TRP A 425 -8.248 -0.925 -11.247 1.00 0.27 C ATOM 1333 C TRP A 425 -8.479 0.546 -10.944 1.00 0.30 C ATOM 1334 O TRP A 425 -9.525 1.101 -11.287 1.00 0.32 O ATOM 1335 CB TRP A 425 -9.060 -1.775 -10.269 1.00 0.25 C ATOM 1336 CG TRP A 425 -8.711 -1.507 -8.833 1.00 0.23 C ATOM 1337 CD1 TRP A 425 -9.045 -0.396 -8.119 1.00 0.25 C ATOM 1338 CD2 TRP A 425 -7.965 -2.349 -7.935 1.00 0.19 C ATOM 1339 NE1 TRP A 425 -8.540 -0.476 -6.848 1.00 0.23 N ATOM 1340 CE2 TRP A 425 -7.897 -1.671 -6.702 1.00 0.19 C ATOM 1341 CE3 TRP A 425 -7.350 -3.604 -8.041 1.00 0.16 C ATOM 1342 CZ2 TRP A 425 -7.250 -2.200 -5.597 1.00 0.17 C ATOM 1343 CZ3 TRP A 425 -6.708 -4.126 -6.939 1.00 0.14 C ATOM 1344 CH2 TRP A 425 -6.667 -3.424 -5.730 1.00 0.15 C ATOM 0 H TRP A 425 -6.563 -1.597 -10.225 1.00 0.24 H new ATOM 0 HA TRP A 425 -8.571 -1.129 -12.268 1.00 0.27 H new ATOM 0 HB2 TRP A 425 -10.122 -1.581 -10.422 1.00 0.25 H new ATOM 0 HB3 TRP A 425 -8.894 -2.830 -10.487 1.00 0.25 H new ATOM 0 HD1 TRP A 425 -9.626 0.431 -8.501 1.00 0.25 H new ATOM 0 HE1 TRP A 425 -8.630 0.241 -6.128 1.00 0.23 H new ATOM 0 HE3 TRP A 425 -7.379 -4.153 -8.971 1.00 0.16 H new ATOM 0 HZ2 TRP A 425 -7.209 -1.661 -4.662 1.00 0.17 H new ATOM 0 HZ3 TRP A 425 -6.229 -5.092 -7.010 1.00 0.14 H new ATOM 0 HH2 TRP A 425 -6.161 -3.862 -4.882 1.00 0.15 H new ATOM 1355 N GLN A 426 -7.515 1.168 -10.282 1.00 0.31 N ATOM 1356 CA GLN A 426 -7.627 2.573 -9.944 1.00 0.33 C ATOM 1357 C GLN A 426 -6.775 3.397 -10.871 1.00 0.36 C ATOM 1358 O GLN A 426 -5.555 3.293 -10.915 1.00 0.39 O ATOM 1359 CB GLN A 426 -7.225 2.840 -8.494 1.00 0.31 C ATOM 1360 CG GLN A 426 -7.909 4.081 -7.932 1.00 0.60 C ATOM 1361 CD GLN A 426 -7.840 4.184 -6.426 1.00 0.72 C ATOM 1362 OE1 GLN A 426 -7.813 3.177 -5.731 1.00 1.74 O ATOM 1363 NE2 GLN A 426 -7.824 5.405 -5.909 1.00 0.53 N ATOM 0 H GLN A 426 -6.652 0.722 -9.971 1.00 0.31 H new ATOM 0 HA GLN A 426 -8.673 2.858 -10.059 1.00 0.33 H new ATOM 0 HB2 GLN A 426 -7.482 1.976 -7.881 1.00 0.31 H new ATOM 0 HB3 GLN A 426 -6.144 2.963 -8.434 1.00 0.31 H new ATOM 0 HG2 GLN A 426 -7.450 4.968 -8.369 1.00 0.60 H new ATOM 0 HG3 GLN A 426 -8.955 4.079 -8.240 1.00 0.60 H new ATOM 0 HE21 GLN A 426 -7.848 6.219 -6.523 1.00 0.53 H new ATOM 0 HE22 GLN A 426 -7.788 5.530 -4.897 1.00 0.53 H new ATOM 1372 N PRO A 427 -7.467 4.189 -11.664 1.00 0.43 N ATOM 1373 CA PRO A 427 -6.886 5.009 -12.710 1.00 0.50 C ATOM 1374 C PRO A 427 -6.424 6.357 -12.211 1.00 0.32 C ATOM 1375 O PRO A 427 -5.786 7.113 -12.944 1.00 0.29 O ATOM 1376 CB PRO A 427 -8.057 5.194 -13.642 1.00 0.73 C ATOM 1377 CG PRO A 427 -9.208 5.299 -12.713 1.00 0.72 C ATOM 1378 CD PRO A 427 -8.927 4.339 -11.604 1.00 0.53 C ATOM 0 HA PRO A 427 -6.000 4.551 -13.151 1.00 0.50 H new ATOM 0 HB2 PRO A 427 -7.949 6.090 -14.254 1.00 0.73 H new ATOM 0 HB3 PRO A 427 -8.166 4.352 -14.326 1.00 0.73 H new ATOM 0 HG2 PRO A 427 -9.312 6.315 -12.333 1.00 0.72 H new ATOM 0 HG3 PRO A 427 -10.142 5.050 -13.218 1.00 0.72 H new ATOM 0 HD2 PRO A 427 -9.254 4.728 -10.640 1.00 0.53 H new ATOM 0 HD3 PRO A 427 -9.438 3.388 -11.754 1.00 0.53 H new ATOM 1386 N GLU A 428 -6.779 6.667 -10.982 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.317 7.883 -10.363 1.00 0.22 C ATOM 1388 C GLU A 428 -5.356 7.649 -9.224 1.00 0.21 C ATOM 1389 O GLU A 428 -5.392 6.631 -8.532 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.471 8.654 -9.788 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.340 7.812 -8.904 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.438 7.105 -9.668 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.856 7.616 -10.722 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.883 6.035 -9.215 1.00 2.16 O1- ATOM 0 H GLU A 428 -7.385 6.093 -10.396 1.00 0.31 H new ATOM 0 HA GLU A 428 -5.810 8.429 -11.158 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.090 9.501 -9.217 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.072 9.062 -10.601 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.724 7.072 -8.394 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.786 8.441 -8.134 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.527 8.657 -9.048 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.613 8.797 -7.941 1.00 0.14 C ATOM 1403 C TYR A 429 -3.226 10.242 -7.934 1.00 0.17 C ATOM 1404 O TYR A 429 -2.912 10.817 -8.978 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.327 7.967 -7.995 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.476 6.599 -8.592 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.663 6.437 -9.949 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.415 5.469 -7.791 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.788 5.178 -10.498 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.540 4.214 -8.325 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.773 4.089 -9.705 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.864 2.816 -10.209 1.00 0.33 O ATOM 0 H TYR A 429 -4.472 9.435 -9.705 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.130 8.433 -7.053 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.582 8.518 -8.569 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.937 7.864 -6.982 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.712 7.306 -10.589 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.266 5.580 -6.727 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -2.898 5.065 -11.566 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.461 3.338 -7.698 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.584 2.334 -9.752 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.296 10.835 -6.799 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.965 12.228 -6.696 1.00 0.17 C ATOM 1424 C GLY A 430 -3.371 12.767 -5.377 1.00 0.17 C ATOM 1425 O GLY A 430 -3.468 12.006 -4.416 1.00 0.16 O ATOM 0 H GLY A 430 -3.577 10.389 -5.926 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.892 12.363 -6.835 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.462 12.785 -7.490 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.542 14.080 -5.306 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.182 14.672 -4.157 1.00 0.21 C ATOM 1431 C GLY A 431 -5.420 13.925 -3.763 1.00 0.19 C ATOM 1432 O GLY A 431 -5.898 13.047 -4.483 1.00 0.18 O ATOM 0 H GLY A 431 -3.248 14.742 -6.024 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.484 14.687 -3.320 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.437 15.709 -4.377 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.989 14.350 -2.675 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.831 13.501 -1.881 1.00 0.21 C ATOM 1438 C ASP A 432 -7.925 12.810 -2.688 1.00 0.18 C ATOM 1439 O ASP A 432 -8.958 13.373 -3.048 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.422 14.358 -0.776 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.229 15.545 -1.283 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.630 16.494 -1.827 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.475 15.523 -1.152 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.883 15.297 -2.311 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.230 12.689 -1.471 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.062 13.736 -0.150 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.615 14.724 -0.142 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.627 11.545 -2.966 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.560 10.605 -3.552 1.00 0.13 C ATOM 1450 C LEU A 433 -9.201 9.792 -2.450 1.00 0.12 C ATOM 1451 O LEU A 433 -10.363 9.463 -2.503 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.858 9.634 -4.518 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.712 10.014 -5.968 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.150 11.407 -6.249 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.321 9.773 -6.419 1.00 1.08 C ATOM 0 H LEU A 433 -6.708 11.141 -2.784 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.304 11.176 -4.108 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.858 9.448 -4.126 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.397 8.687 -4.480 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.382 9.375 -6.543 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.021 11.622 -7.310 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.201 11.519 -5.981 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.550 12.102 -5.662 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.226 10.051 -7.469 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.635 10.373 -5.821 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -6.078 8.717 -6.300 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.395 9.461 -1.453 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.780 8.526 -0.399 1.00 0.10 C ATOM 1469 C TRP A 434 -10.092 8.912 0.265 1.00 0.11 C ATOM 1470 O TRP A 434 -10.817 8.065 0.764 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.650 8.431 0.630 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.380 9.719 1.305 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.513 10.694 0.913 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.009 10.174 2.495 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.624 11.769 1.762 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.525 11.458 2.753 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.952 9.618 3.358 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.965 12.199 3.840 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.380 10.353 4.432 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.891 11.632 4.663 1.00 0.16 C ATOM 0 H TRP A 434 -7.451 9.833 -1.349 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.943 7.549 -0.854 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.908 7.681 1.378 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.742 8.088 0.135 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.844 10.632 0.068 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.121 12.652 1.672 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.339 8.625 3.183 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.586 13.193 4.028 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.108 9.932 5.109 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.253 12.190 5.514 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.384 10.205 0.268 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.570 10.709 0.921 1.00 0.14 C ATOM 1493 C LYS A 435 -12.770 10.732 0.004 1.00 0.17 C ATOM 1494 O LYS A 435 -13.898 10.497 0.426 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.292 12.105 1.444 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.955 12.606 0.998 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.613 13.933 1.588 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.232 14.143 2.944 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.870 15.461 3.537 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.810 10.921 -0.178 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.811 10.034 1.742 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.070 12.785 1.097 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.334 12.101 2.533 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.189 11.881 1.274 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.944 12.682 -0.089 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.530 14.021 1.670 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.947 14.722 0.915 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.316 14.071 2.860 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.911 13.346 3.614 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.320 15.558 4.469 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.837 15.522 3.643 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.199 16.225 2.913 1.00 0.22 H new ATOM 1513 N THR A 436 -12.511 11.041 -1.239 1.00 0.16 N ATOM 1514 CA THR A 436 -13.562 11.180 -2.231 1.00 0.19 C ATOM 1515 C THR A 436 -13.839 9.848 -2.911 1.00 0.19 C ATOM 1516 O THR A 436 -14.990 9.449 -3.112 1.00 0.22 O ATOM 1517 CB THR A 436 -13.147 12.244 -3.267 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.376 11.666 -4.324 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.301 13.288 -2.583 1.00 0.21 C ATOM 0 H THR A 436 -11.571 11.204 -1.599 1.00 0.16 H new ATOM 0 HA THR A 436 -14.480 11.499 -1.738 1.00 0.19 H new ATOM 0 HB THR A 436 -14.052 12.682 -3.688 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.128 12.363 -4.967 1.00 0.25 H new ATOM 0 HG21 THR A 436 -12.002 14.046 -3.307 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.876 13.756 -1.784 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.412 12.818 -2.162 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.761 9.162 -3.233 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.807 7.890 -3.926 1.00 0.20 C ATOM 1529 C ARG A 437 -12.812 6.756 -2.917 1.00 0.20 C ATOM 1530 O ARG A 437 -13.176 5.627 -3.237 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.574 7.808 -4.815 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.166 9.129 -5.342 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.497 8.992 -6.669 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.462 8.863 -7.756 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.500 9.646 -8.836 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.653 10.661 -8.964 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.398 9.419 -9.784 1.00 1.47 N ATOM 0 H ARG A 437 -11.815 9.477 -3.018 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.711 7.807 -4.529 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.749 7.376 -4.248 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.775 7.134 -5.648 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -12.041 9.773 -5.436 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.489 9.612 -4.638 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.864 9.861 -6.847 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.844 8.119 -6.658 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.158 8.121 -7.685 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -9.966 10.847 -8.233 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.689 11.254 -9.793 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.058 8.647 -9.687 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.429 10.016 -10.610 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.398 7.087 -1.696 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.683 6.261 -0.547 1.00 0.18 C ATOM 1553 C GLY A 438 -12.308 4.800 -0.692 1.00 0.21 C ATOM 1554 O GLY A 438 -13.131 3.933 -0.394 1.00 0.24 O ATOM 0 H GLY A 438 -11.861 7.929 -1.486 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.156 6.671 0.314 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.749 6.326 -0.329 1.00 0.18 H new ATOM 1558 N SER A 439 -11.103 4.484 -1.140 1.00 0.22 N ATOM 1559 CA SER A 439 -10.802 3.091 -1.400 1.00 0.27 C ATOM 1560 C SER A 439 -10.379 2.366 -0.129 1.00 0.27 C ATOM 1561 O SER A 439 -9.292 2.594 0.402 1.00 0.27 O ATOM 1562 CB SER A 439 -9.713 2.967 -2.461 1.00 0.31 C ATOM 1563 OG SER A 439 -8.633 3.841 -2.174 1.00 1.01 O ATOM 0 H SER A 439 -10.348 5.144 -1.324 1.00 0.22 H new ATOM 0 HA SER A 439 -11.713 2.621 -1.770 1.00 0.27 H new ATOM 0 HB2 SER A 439 -9.354 1.939 -2.503 1.00 0.31 H new ATOM 0 HB3 SER A 439 -10.126 3.201 -3.442 1.00 0.31 H new ATOM 0 HG SER A 439 -8.383 3.753 -1.231 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.258 1.470 0.314 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.043 0.612 1.479 1.00 0.32 C ATOM 1571 C HIS A 440 -10.301 1.299 2.635 1.00 0.28 C ATOM 1572 O HIS A 440 -10.724 2.355 3.114 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.330 -0.675 1.075 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.218 -1.698 0.449 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.393 -2.117 1.028 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.085 -2.411 -0.693 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.945 -3.044 0.280 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.176 -3.245 -0.778 1.00 0.48 N ATOM 0 H HIS A 440 -12.160 1.316 -0.136 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.037 0.377 1.861 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.530 -0.429 0.377 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -9.861 -1.109 1.958 1.00 0.36 H new ATOM 0 HD1 HIS A 440 -12.777 -1.762 1.904 1.00 0.45 H new ATOM 0 HD2 HIS A 440 -10.275 -2.339 -1.404 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.872 -3.557 0.493 1.00 0.50 H new ATOM 1587 N GLY A 441 -9.189 0.701 3.064 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.482 1.187 4.237 1.00 0.22 C ATOM 1589 C GLY A 441 -6.999 1.395 4.003 1.00 0.17 C ATOM 1590 O GLY A 441 -6.345 2.118 4.759 1.00 0.26 O ATOM 0 H GLY A 441 -8.766 -0.113 2.618 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.928 2.129 4.556 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.617 0.478 5.053 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.453 0.762 2.970 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.025 0.803 2.739 1.00 0.15 C ATOM 1596 C CYS A 442 -4.636 1.729 1.593 1.00 0.13 C ATOM 1597 O CYS A 442 -5.402 2.592 1.185 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.483 -0.591 2.462 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.176 -1.353 0.983 1.00 0.35 S ATOM 0 H CYS A 442 -6.980 0.219 2.286 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.583 1.201 3.652 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.399 -0.537 2.359 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.690 -1.230 3.321 1.00 0.24 H new ATOM 1604 N ILE A 443 -3.393 1.586 1.147 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.823 2.460 0.131 1.00 0.07 C ATOM 1606 C ILE A 443 -2.968 1.844 -1.246 1.00 0.08 C ATOM 1607 O ILE A 443 -2.632 0.681 -1.455 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.323 2.743 0.398 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.114 3.675 1.599 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.660 3.349 -0.840 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.554 3.111 2.934 1.00 0.11 C ATOM 0 H ILE A 443 -2.755 0.863 1.479 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.372 3.401 0.175 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.858 1.785 0.630 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.056 3.931 1.661 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.656 4.603 1.418 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.393 3.540 -0.632 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.744 2.654 -1.675 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.155 4.286 -1.096 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.365 3.844 3.719 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.619 2.883 2.899 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -0.994 2.200 3.146 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.464 2.635 -2.181 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.665 2.160 -3.539 1.00 0.08 C ATOM 1625 C ASN A 444 -2.601 2.732 -4.459 1.00 0.07 C ATOM 1626 O ASN A 444 -2.705 3.857 -4.948 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.074 2.482 -4.033 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.113 1.524 -3.466 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.049 1.116 -4.155 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -5.961 1.164 -2.200 1.00 0.15 N ATOM 0 H ASN A 444 -3.734 3.606 -2.026 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.566 1.075 -3.546 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.332 3.503 -3.752 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.095 2.436 -5.122 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.631 0.529 -1.766 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.174 1.522 -1.659 1.00 0.15 H new ATOM 1637 N THR A 445 -1.561 1.945 -4.634 1.00 0.08 N ATOM 1638 CA THR A 445 -0.396 2.296 -5.401 1.00 0.08 C ATOM 1639 C THR A 445 -0.511 1.902 -6.865 1.00 0.08 C ATOM 1640 O THR A 445 -1.099 0.895 -7.205 1.00 0.10 O ATOM 1641 CB THR A 445 0.790 1.586 -4.760 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.663 1.604 -3.330 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.065 2.247 -5.138 1.00 0.06 C ATOM 0 H THR A 445 -1.507 1.010 -4.229 1.00 0.08 H new ATOM 0 HA THR A 445 -0.276 3.379 -5.391 1.00 0.08 H new ATOM 0 HB THR A 445 0.799 0.556 -5.118 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.527 1.831 -2.928 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.899 1.724 -4.670 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.182 2.219 -6.221 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.051 3.283 -4.801 1.00 0.06 H new ATOM 1651 N PRO A 446 0.038 2.747 -7.745 1.00 0.08 N ATOM 1652 CA PRO A 446 0.113 2.493 -9.185 1.00 0.10 C ATOM 1653 C PRO A 446 0.674 1.137 -9.520 1.00 0.14 C ATOM 1654 O PRO A 446 1.579 0.629 -8.852 1.00 0.24 O ATOM 1655 CB PRO A 446 1.041 3.596 -9.681 1.00 0.10 C ATOM 1656 CG PRO A 446 0.855 4.701 -8.716 1.00 0.08 C ATOM 1657 CD PRO A 446 0.600 4.057 -7.394 1.00 0.07 C ATOM 0 HA PRO A 446 -0.874 2.497 -9.647 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.078 3.261 -9.705 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.783 3.906 -10.694 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.740 5.336 -8.676 1.00 0.08 H new ATOM 0 HG3 PRO A 446 0.019 5.337 -9.008 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.518 3.956 -6.814 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.095 4.642 -6.791 1.00 0.07 H new ATOM 1665 N PRO A 447 0.149 0.538 -10.582 1.00 0.12 N ATOM 1666 CA PRO A 447 0.516 -0.802 -10.986 1.00 0.12 C ATOM 1667 C PRO A 447 1.974 -0.893 -11.425 1.00 0.14 C ATOM 1668 O PRO A 447 2.605 -1.948 -11.347 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.405 -1.077 -12.159 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.509 -0.116 -12.001 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.854 1.109 -11.490 1.00 0.13 C ATOM 0 HA PRO A 447 0.417 -1.517 -10.170 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.110 -0.935 -13.109 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.769 -2.104 -12.144 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.015 0.069 -12.949 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.262 -0.485 -11.304 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.400 1.696 -12.288 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.554 1.764 -10.971 1.00 0.13 H new ATOM 1679 N SER A 448 2.508 0.237 -11.855 1.00 0.12 N ATOM 1680 CA SER A 448 3.847 0.303 -12.399 1.00 0.11 C ATOM 1681 C SER A 448 4.903 0.287 -11.307 1.00 0.09 C ATOM 1682 O SER A 448 6.049 -0.067 -11.528 1.00 0.09 O ATOM 1683 CB SER A 448 3.978 1.585 -13.202 1.00 0.14 C ATOM 1684 OG SER A 448 3.695 2.719 -12.395 1.00 1.10 O ATOM 0 H SER A 448 2.022 1.134 -11.835 1.00 0.12 H new ATOM 0 HA SER A 448 4.007 -0.573 -13.028 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.987 1.664 -13.607 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.295 1.558 -14.051 1.00 0.14 H new ATOM 0 HG SER A 448 3.787 3.534 -12.932 1.00 1.10 H new ATOM 1690 N VAL A 449 4.514 0.724 -10.132 1.00 0.07 N ATOM 1691 CA VAL A 449 5.468 0.959 -9.068 1.00 0.06 C ATOM 1692 C VAL A 449 5.525 -0.163 -8.074 1.00 0.05 C ATOM 1693 O VAL A 449 6.585 -0.666 -7.767 1.00 0.05 O ATOM 1694 CB VAL A 449 5.152 2.276 -8.384 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.225 3.373 -9.406 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.795 2.219 -7.750 1.00 0.06 C ATOM 0 H VAL A 449 3.544 0.925 -9.887 1.00 0.07 H new ATOM 0 HA VAL A 449 6.458 1.009 -9.520 1.00 0.06 H new ATOM 0 HB VAL A 449 5.876 2.472 -7.593 1.00 0.06 H new ATOM 0 HG11 VAL A 449 5.000 4.328 -8.931 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.227 3.407 -9.833 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.500 3.182 -10.197 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.581 3.170 -7.263 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.044 2.026 -8.516 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.772 1.419 -7.010 1.00 0.06 H new ATOM 1706 N MET A 450 4.400 -0.591 -7.585 1.00 0.05 N ATOM 1707 CA MET A 450 4.405 -1.646 -6.598 1.00 0.05 C ATOM 1708 C MET A 450 4.889 -2.948 -7.215 1.00 0.05 C ATOM 1709 O MET A 450 5.048 -3.950 -6.520 1.00 0.06 O ATOM 1710 CB MET A 450 3.044 -1.786 -5.932 1.00 0.07 C ATOM 1711 CG MET A 450 2.999 -1.291 -4.490 1.00 0.06 C ATOM 1712 SD MET A 450 3.297 -2.592 -3.272 1.00 0.06 S ATOM 1713 CE MET A 450 2.967 -4.053 -4.227 1.00 0.05 C ATOM 0 H MET A 450 3.478 -0.238 -7.843 1.00 0.05 H new ATOM 0 HA MET A 450 5.108 -1.381 -5.808 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.308 -1.235 -6.517 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.748 -2.835 -5.954 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.743 -0.505 -4.360 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.025 -0.841 -4.299 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.831 -4.902 -3.557 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.061 -3.906 -4.816 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.806 -4.248 -4.895 1.00 0.05 H new ATOM 1723 N LYS A 451 5.172 -2.926 -8.498 1.00 0.05 N ATOM 1724 CA LYS A 451 5.768 -4.074 -9.129 1.00 0.05 C ATOM 1725 C LYS A 451 7.257 -4.050 -8.848 1.00 0.05 C ATOM 1726 O LYS A 451 7.897 -5.069 -8.569 1.00 0.06 O ATOM 1727 CB LYS A 451 5.527 -4.036 -10.617 1.00 0.06 C ATOM 1728 CG LYS A 451 6.283 -2.953 -11.246 1.00 0.06 C ATOM 1729 CD LYS A 451 6.068 -2.907 -12.710 1.00 0.08 C ATOM 1730 CE LYS A 451 7.116 -2.044 -13.333 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.410 -2.750 -13.517 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.000 -2.133 -9.117 1.00 0.05 H new ATOM 0 HA LYS A 451 5.323 -4.987 -8.734 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.815 -4.989 -11.060 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.463 -3.902 -10.813 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.987 -2.001 -10.806 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.345 -3.084 -11.039 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.112 -3.913 -13.128 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.076 -2.513 -12.932 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.760 -1.690 -14.300 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.273 -1.164 -12.709 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.144 -2.285 -12.945 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.311 -3.740 -13.215 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.682 -2.720 -14.520 1.00 0.92 H new ATOM 1745 N GLU A 452 7.760 -2.814 -8.879 1.00 0.05 N ATOM 1746 CA GLU A 452 9.132 -2.488 -8.705 1.00 0.05 C ATOM 1747 C GLU A 452 9.495 -2.911 -7.342 1.00 0.05 C ATOM 1748 O GLU A 452 10.533 -3.484 -7.071 1.00 0.06 O ATOM 1749 CB GLU A 452 9.226 -0.993 -8.761 1.00 0.05 C ATOM 1750 CG GLU A 452 8.747 -0.416 -10.048 1.00 0.07 C ATOM 1751 CD GLU A 452 9.838 -0.207 -11.067 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.176 -1.166 -11.790 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.369 0.919 -11.145 1.00 0.25 O1- ATOM 0 H GLU A 452 7.175 -1.993 -9.035 1.00 0.05 H new ATOM 0 HA GLU A 452 9.772 -2.957 -9.452 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.644 -0.569 -7.943 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.263 -0.696 -8.602 1.00 0.05 H new ATOM 0 HG2 GLU A 452 7.990 -1.076 -10.471 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.262 0.539 -9.848 1.00 0.07 H new ATOM 1760 N LEU A 453 8.587 -2.509 -6.496 1.00 0.04 N ATOM 1761 CA LEU A 453 8.526 -2.858 -5.139 1.00 0.04 C ATOM 1762 C LEU A 453 8.702 -4.313 -4.915 1.00 0.05 C ATOM 1763 O LEU A 453 9.676 -4.717 -4.315 1.00 0.05 O ATOM 1764 CB LEU A 453 7.161 -2.464 -4.655 1.00 0.04 C ATOM 1765 CG LEU A 453 7.159 -1.863 -3.312 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.352 -1.018 -3.166 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.962 -1.031 -3.097 1.00 0.05 C ATOM 0 H LEU A 453 7.828 -1.888 -6.775 1.00 0.04 H new ATOM 0 HA LEU A 453 9.331 -2.352 -4.607 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.726 -1.756 -5.360 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.519 -3.345 -4.650 1.00 0.04 H new ATOM 0 HG LEU A 453 7.158 -2.668 -2.577 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.360 -0.568 -2.173 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.247 -1.627 -3.295 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.336 -0.232 -3.921 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.992 -0.602 -2.095 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.939 -0.229 -3.835 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.068 -1.646 -3.202 1.00 0.05 H new ATOM 1779 N PHE A 454 7.759 -5.085 -5.371 1.00 0.05 N ATOM 1780 CA PHE A 454 7.876 -6.542 -5.287 1.00 0.06 C ATOM 1781 C PHE A 454 9.274 -6.977 -5.751 1.00 0.07 C ATOM 1782 O PHE A 454 9.804 -8.016 -5.337 1.00 0.09 O ATOM 1783 CB PHE A 454 6.780 -7.223 -6.124 1.00 0.07 C ATOM 1784 CG PHE A 454 6.905 -8.728 -6.230 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.781 -9.283 -7.152 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.156 -9.591 -5.426 1.00 0.09 C ATOM 1787 CE1 PHE A 454 7.918 -10.650 -7.271 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.294 -10.959 -5.550 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.176 -11.488 -6.470 1.00 0.12 C ATOM 0 H PHE A 454 6.899 -4.749 -5.805 1.00 0.05 H new ATOM 0 HA PHE A 454 7.741 -6.851 -4.250 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.809 -6.983 -5.690 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.794 -6.800 -7.128 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.365 -8.634 -7.787 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.464 -9.185 -4.703 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.607 -11.063 -7.993 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.710 -11.618 -4.925 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.284 -12.559 -6.561 1.00 0.12 H new ATOM 1799 N GLY A 455 9.896 -6.109 -6.541 1.00 0.06 N ATOM 1800 CA GLY A 455 11.185 -6.405 -7.112 1.00 0.08 C ATOM 1801 C GLY A 455 12.318 -5.951 -6.213 1.00 0.08 C ATOM 1802 O GLY A 455 13.438 -6.450 -6.325 1.00 0.13 O ATOM 0 H GLY A 455 9.520 -5.196 -6.795 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.267 -7.478 -7.286 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.273 -5.917 -8.082 1.00 0.08 H new ATOM 1806 N MET A 456 12.044 -4.977 -5.342 1.00 0.06 N ATOM 1807 CA MET A 456 13.037 -4.520 -4.392 1.00 0.05 C ATOM 1808 C MET A 456 12.782 -4.967 -2.982 1.00 0.05 C ATOM 1809 O MET A 456 13.710 -5.369 -2.283 1.00 0.06 O ATOM 1810 CB MET A 456 13.174 -3.024 -4.402 1.00 0.05 C ATOM 1811 CG MET A 456 11.899 -2.303 -4.550 1.00 0.04 C ATOM 1812 SD MET A 456 11.970 -1.095 -5.863 1.00 0.05 S ATOM 1813 CE MET A 456 10.515 -0.219 -5.405 1.00 0.04 C ATOM 0 H MET A 456 11.146 -4.498 -5.282 1.00 0.06 H new ATOM 0 HA MET A 456 13.964 -4.984 -4.728 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.652 -2.708 -3.475 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.838 -2.736 -5.217 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.100 -3.016 -4.754 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.651 -1.806 -3.612 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.718 -0.442 -6.114 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.206 -0.524 -4.405 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.718 0.852 -5.411 1.00 0.04 H new ATOM 1823 N VAL A 457 11.558 -4.868 -2.539 1.00 0.05 N ATOM 1824 CA VAL A 457 11.251 -5.269 -1.192 1.00 0.05 C ATOM 1825 C VAL A 457 11.279 -6.756 -1.062 1.00 0.07 C ATOM 1826 O VAL A 457 11.009 -7.502 -2.004 1.00 0.08 O ATOM 1827 CB VAL A 457 9.930 -4.702 -0.655 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.176 -3.937 -1.709 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.070 -5.788 -0.033 1.00 0.05 C ATOM 0 H VAL A 457 10.767 -4.519 -3.081 1.00 0.05 H new ATOM 0 HA VAL A 457 12.034 -4.836 -0.570 1.00 0.05 H new ATOM 0 HB VAL A 457 10.184 -3.993 0.133 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.248 -3.553 -1.286 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.786 -3.105 -2.061 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.948 -4.598 -2.545 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.143 -5.351 0.337 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.841 -6.545 -0.783 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.609 -6.249 0.795 1.00 0.05 H new ATOM 1839 N GLU A 458 11.640 -7.164 0.115 1.00 0.08 N ATOM 1840 CA GLU A 458 11.743 -8.538 0.426 1.00 0.10 C ATOM 1841 C GLU A 458 10.811 -8.855 1.564 1.00 0.09 C ATOM 1842 O GLU A 458 10.387 -7.962 2.293 1.00 0.10 O ATOM 1843 CB GLU A 458 13.170 -8.839 0.821 1.00 0.13 C ATOM 1844 CG GLU A 458 13.976 -7.588 1.032 1.00 0.20 C ATOM 1845 CD GLU A 458 15.295 -7.841 1.725 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.292 -8.025 2.961 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.339 -7.849 1.042 1.00 0.48 O1- ATOM 0 H GLU A 458 11.872 -6.539 0.887 1.00 0.08 H new ATOM 0 HA GLU A 458 11.470 -9.147 -0.436 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.175 -9.431 1.736 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.639 -9.445 0.047 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.164 -7.117 0.067 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.392 -6.882 1.623 1.00 0.20 H new ATOM 1854 N LYS A 459 10.453 -10.118 1.680 1.00 0.11 N ATOM 1855 CA LYS A 459 9.729 -10.578 2.839 1.00 0.13 C ATOM 1856 C LYS A 459 10.547 -10.303 4.063 1.00 0.15 C ATOM 1857 O LYS A 459 11.504 -11.014 4.371 1.00 0.18 O ATOM 1858 CB LYS A 459 9.391 -12.049 2.759 1.00 0.16 C ATOM 1859 CG LYS A 459 8.484 -12.341 1.603 1.00 0.22 C ATOM 1860 CD LYS A 459 9.173 -13.185 0.567 1.00 0.70 C ATOM 1861 CE LYS A 459 9.253 -14.642 0.994 1.00 0.40 C ATOM 1862 NZ LYS A 459 9.786 -15.513 -0.085 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.652 -10.839 0.987 1.00 0.11 H new ATOM 0 HA LYS A 459 8.783 -10.038 2.884 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.308 -12.629 2.659 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.913 -12.365 3.687 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.592 -12.855 1.959 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.154 -11.405 1.152 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.636 -13.112 -0.379 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.178 -12.801 0.394 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.889 -14.727 1.875 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.261 -14.989 1.283 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.823 -16.497 0.250 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.165 -15.454 -0.917 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 10.743 -15.199 -0.344 1.00 0.99 H new ATOM 1876 N GLY A 460 10.151 -9.262 4.745 1.00 0.15 N ATOM 1877 CA GLY A 460 10.885 -8.809 5.902 1.00 0.19 C ATOM 1878 C GLY A 460 11.159 -7.327 5.836 1.00 0.15 C ATOM 1879 O GLY A 460 11.584 -6.723 6.811 1.00 0.17 O ATOM 0 H GLY A 460 9.323 -8.709 4.521 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.319 -9.036 6.805 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.828 -9.352 5.972 1.00 0.19 H new ATOM 1883 N THR A 461 10.924 -6.752 4.671 1.00 0.12 N ATOM 1884 CA THR A 461 10.960 -5.324 4.498 1.00 0.07 C ATOM 1885 C THR A 461 9.791 -4.711 5.253 1.00 0.08 C ATOM 1886 O THR A 461 8.768 -5.361 5.450 1.00 0.13 O ATOM 1887 CB THR A 461 10.885 -4.996 2.987 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.108 -5.370 2.341 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.598 -3.532 2.739 1.00 0.05 C ATOM 0 H THR A 461 10.703 -7.269 3.820 1.00 0.12 H new ATOM 0 HA THR A 461 11.887 -4.909 4.893 1.00 0.07 H new ATOM 0 HB THR A 461 10.059 -5.570 2.568 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.825 -5.429 3.007 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.554 -3.347 1.666 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.643 -3.267 3.193 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.390 -2.926 3.180 1.00 0.05 H new ATOM 1897 N PRO A 462 9.924 -3.488 5.748 1.00 0.09 N ATOM 1898 CA PRO A 462 8.863 -2.820 6.413 1.00 0.14 C ATOM 1899 C PRO A 462 8.120 -1.952 5.434 1.00 0.13 C ATOM 1900 O PRO A 462 8.599 -1.695 4.327 1.00 0.18 O ATOM 1901 CB PRO A 462 9.603 -1.973 7.460 1.00 0.18 C ATOM 1902 CG PRO A 462 11.056 -2.118 7.122 1.00 0.13 C ATOM 1903 CD PRO A 462 11.088 -2.623 5.731 1.00 0.09 C ATOM 0 HA PRO A 462 8.120 -3.484 6.855 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.290 -0.930 7.416 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.396 -2.326 8.470 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.576 -1.164 7.205 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.550 -2.811 7.803 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.002 -1.823 4.996 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.006 -3.165 5.506 1.00 0.09 H new ATOM 1911 N VAL A 463 6.969 -1.500 5.811 1.00 0.09 N ATOM 1912 CA VAL A 463 6.305 -0.507 5.021 1.00 0.09 C ATOM 1913 C VAL A 463 5.921 0.612 5.930 1.00 0.08 C ATOM 1914 O VAL A 463 5.787 0.441 7.132 1.00 0.10 O ATOM 1915 CB VAL A 463 5.043 -0.997 4.300 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.252 -2.356 3.664 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.884 -1.003 5.261 1.00 0.54 C ATOM 0 H VAL A 463 6.471 -1.796 6.650 1.00 0.09 H new ATOM 0 HA VAL A 463 7.003 -0.209 4.239 1.00 0.09 H new ATOM 0 HB VAL A 463 4.817 -0.309 3.485 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.336 -2.668 3.163 1.00 0.57 H new ATOM 0 HG12 VAL A 463 6.061 -2.296 2.936 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.510 -3.083 4.435 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.988 -1.351 4.748 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.106 -1.669 6.095 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.718 0.007 5.637 1.00 0.54 H new ATOM 1927 N LEU A 464 5.811 1.760 5.383 1.00 0.07 N ATOM 1928 CA LEU A 464 5.323 2.863 6.115 1.00 0.07 C ATOM 1929 C LEU A 464 4.323 3.574 5.287 1.00 0.07 C ATOM 1930 O LEU A 464 4.338 3.461 4.077 1.00 0.09 O ATOM 1931 CB LEU A 464 6.459 3.781 6.475 1.00 0.10 C ATOM 1932 CG LEU A 464 7.431 3.214 7.466 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.522 2.468 6.760 1.00 0.09 C ATOM 1934 CD2 LEU A 464 7.973 4.332 8.309 1.00 0.13 C ATOM 0 H LEU A 464 6.057 1.963 4.414 1.00 0.07 H new ATOM 0 HA LEU A 464 4.855 2.523 7.039 1.00 0.07 H new ATOM 0 HB2 LEU A 464 6.999 4.043 5.565 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.047 4.706 6.879 1.00 0.10 H new ATOM 0 HG LEU A 464 6.927 2.500 8.118 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.219 2.063 7.493 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.089 1.652 6.181 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.052 3.146 6.091 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.681 3.931 9.034 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.478 5.057 7.671 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.153 4.821 8.835 1.00 0.13 H new ATOM 1946 N VAL A 465 3.407 4.204 5.948 1.00 0.06 N ATOM 1947 CA VAL A 465 2.544 5.173 5.334 1.00 0.05 C ATOM 1948 C VAL A 465 2.396 6.271 6.347 1.00 0.08 C ATOM 1949 O VAL A 465 2.411 5.969 7.519 1.00 0.10 O ATOM 1950 CB VAL A 465 1.176 4.569 4.915 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.301 3.079 4.680 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.109 4.872 5.910 1.00 0.08 C ATOM 0 H VAL A 465 3.231 4.062 6.943 1.00 0.06 H new ATOM 0 HA VAL A 465 2.968 5.545 4.401 1.00 0.05 H new ATOM 0 HB VAL A 465 0.879 5.039 3.977 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.332 2.674 4.387 1.00 0.09 H new ATOM 0 HG12 VAL A 465 2.026 2.895 3.887 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.635 2.593 5.597 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.832 4.432 5.580 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.385 4.454 6.878 1.00 0.08 H new ATOM 0 HG23 VAL A 465 -0.008 5.952 6.001 1.00 0.08 H new ATOM 1962 N PHE A 466 2.378 7.522 5.912 1.00 0.10 N ATOM 1963 CA PHE A 466 2.299 8.664 6.818 1.00 0.15 C ATOM 1964 C PHE A 466 2.327 9.977 6.049 1.00 0.21 C ATOM 1965 O PHE A 466 3.344 10.692 6.106 1.00 1.09 O ATOM 1966 CB PHE A 466 3.416 8.615 7.879 1.00 0.17 C ATOM 1967 CG PHE A 466 4.825 8.427 7.353 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.249 7.200 6.867 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.713 9.487 7.335 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.534 7.037 6.379 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.000 9.329 6.847 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.414 8.057 6.402 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.307 10.295 5.412 1.00 1.06 O ATOM 0 H PHE A 466 2.417 7.776 4.925 1.00 0.10 H new ATOM 0 HA PHE A 466 1.345 8.606 7.342 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.385 9.541 8.454 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.197 7.802 8.571 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.569 6.361 6.869 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.399 10.451 7.706 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.835 6.081 5.975 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.677 10.169 6.808 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.433 7.901 6.081 1.00 0.30 H new TER 1983 PHE A 466 HETATM 1984 C 1RG A 130 -10.205 -6.373 8.777 1.00 2.42 C HETATM 1985 N 1RG A 130 -8.752 -7.030 6.912 1.00 2.70 N HETATM 1986 O 1RG A 130 -10.928 -5.811 7.957 1.00 2.05 O HETATM 1987 CA 1RG A 130 -8.786 -6.774 8.375 1.00 2.68 C HETATM 1988 CB 1RG A 130 -7.805 -5.623 8.610 1.00 2.20 C HETATM 1989 CD 1RG A 130 -7.588 -6.298 6.407 1.00 2.17 C HETATM 1990 CG 1RG A 130 -7.590 -5.032 7.242 1.00 1.53 C HETATM 1991 CAA 1RG A 130 -6.639 -2.076 1.606 1.00 0.28 C HETATM 1992 CAB 1RG A 130 -6.502 -3.561 2.087 1.00 0.19 C HETATM 1993 OAC 1RG A 130 -7.701 -1.478 1.677 1.00 0.43 O HETATM 1994 CAD 1RG A 130 -7.634 -3.884 3.131 1.00 0.25 C HETATM 1995 CAE 1RG A 130 -6.444 -4.551 0.940 1.00 0.15 C HETATM 1996 CAF 1RG A 130 -6.322 -5.979 1.452 1.00 0.11 C HETATM 1997 OAG 1RG A 130 -7.628 -4.432 0.139 1.00 0.20 O HETATM 1998 CAH 1RG A 130 -7.276 -3.591 4.569 1.00 0.33 C HETATM 1999 CAI 1RG A 130 -8.548 -3.559 5.128 1.00 0.37 C HETATM 2000 NAJ 1RG A 130 -8.856 -3.078 2.967 1.00 0.34 N HETATM 2001 SAK 1RG A 130 -8.951 -3.991 6.782 1.00 0.71 S HETATM 2002 CAL 1RG A 130 -9.422 -3.163 4.181 1.00 0.33 C HETATM 2003 CAM 1RG A 130 -10.701 -2.862 4.463 1.00 0.53 C HETATM 2004 CAS 1RG A 130 -6.587 -2.237 4.743 1.00 0.41 C HETATM 2005 OAT 1RG A 130 -11.462 -2.507 3.546 1.00 0.66 O HETATM 2006 OAU 1RG A 130 -11.148 -2.931 5.625 1.00 0.67 O HETATM 2007 NAX 1RG A 130 -10.541 -6.702 10.056 1.00 2.87 N HETATM 2008 CAY 1RG A 130 -11.776 -6.402 10.537 1.00 2.84 C HETATM 2009 CAZ 1RG A 130 -12.073 -6.748 11.853 1.00 3.47 C HETATM 2010 CBA 1RG A 130 -13.323 -6.455 12.391 1.00 3.58 C HETATM 2011 CBB 1RG A 130 -14.283 -5.816 11.615 1.00 3.10 C HETATM 2012 CBC 1RG A 130 -13.997 -5.468 10.308 1.00 2.54 C HETATM 2013 CBD 1RG A 130 -12.755 -5.756 9.769 1.00 2.37 C HETATM 2014 CBE 1RG A 130 -13.614 -6.797 13.708 1.00 4.28 C HETATM 2015 OBF 1RG A 130 -14.714 -6.504 14.219 1.00 4.45 O HETATM 2016 OBG 1RG A 130 -12.781 -7.403 14.414 1.00 4.82 O HETATM 0 HOBF 1RG A 130 -14.838 -7.016 15.045 1.00 4.45 H new HETATM 0 HOAU 1RG A 130 -10.674 -3.634 6.117 1.00 0.67 H new HETATM 0 HOAG 1RG A 130 -7.380 -4.189 -0.777 1.00 0.20 H new HETATM 0 HNAX 1RG A 130 -9.863 -7.175 10.654 1.00 2.87 H new HETATM 0 HNAJ 1RG A 130 -9.188 -2.581 2.140 1.00 0.34 H new HETATM 0 HASB 1RG A 130 -5.666 -2.220 4.160 1.00 0.41 H new HETATM 0 HASA 1RG A 130 -7.250 -1.444 4.397 1.00 0.41 H new HETATM 0 HAFB 1RG A 130 -5.411 -6.077 2.042 1.00 0.11 H new HETATM 0 HAFA 1RG A 130 -7.185 -6.218 2.074 1.00 0.11 H new HETATM 0 HN 1RG A 130 -9.404 -7.598 6.371 1.00 2.70 H new HETATM 0 HG 1RG A 130 -6.703 -4.406 7.146 1.00 1.53 H new HETATM 0 HDA 1RG A 130 -6.667 -6.866 6.538 1.00 2.17 H new HETATM 0 HD 1RG A 130 -7.680 -6.079 5.343 1.00 2.17 H new HETATM 0 HBD 1RG A 130 -12.536 -5.478 8.738 1.00 2.37 H new HETATM 0 HBC 1RG A 130 -14.751 -4.966 9.701 1.00 2.54 H new HETATM 0 HBB 1RG A 130 -15.262 -5.589 12.037 1.00 3.10 H new HETATM 0 HBA 1RG A 130 -8.214 -4.887 9.302 1.00 2.20 H new HETATM 0 HB 1RG A 130 -6.869 -5.979 9.041 1.00 2.20 H new HETATM 0 HAZ 1RG A 130 -11.323 -7.250 12.464 1.00 3.47 H new HETATM 0 HAS 1RG A 130 -6.353 -2.080 5.796 1.00 0.41 H new HETATM 0 HAH 1RG A 130 -6.576 -4.304 5.004 1.00 0.33 H new HETATM 0 HAF 1RG A 130 -6.283 -6.666 0.607 1.00 0.11 H new HETATM 0 HAE 1RG A 130 -5.563 -4.323 0.339 1.00 0.15 H new HETATM 0 HAD 1RG A 130 -7.776 -4.946 2.932 1.00 0.25 H new HETATM 0 HAB 1RG A 130 -5.540 -3.673 2.587 1.00 0.19 H new HETATM 0 HA 1RG A 130 -8.511 -7.648 8.965 1.00 2.68 H new