USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 411 MET CE :methyl -172:sc= -7.49! (180deg=-7.95!) USER MOD Set 1.2: A 450 MET CE :methyl 152:sc= -3.83 (180deg=-6.11!) USER MOD Set 2.1: A 421 HIS : no HD1:sc= -6.98! C(o=-7.4!,f=-7.4!) USER MOD Set 2.2: A 423 SER OG : rot -75:sc= 0.996 USER MOD Set 2.3: A 439 SER OG : rot -109:sc= 0.117 USER MOD Set 2.4: A 442 CYS SG : rot 180:sc= -0.409 USER MOD Set 2.5: A 444 ASN : amide:sc= -1.15! K(o=-7.4!,f=-9.3) USER MOD Set 3.1: A 370 SER OG : rot 50:sc= 0.555 USER MOD Set 3.2: A 377 THR OG1 : rot -133:sc= 1.03 USER MOD Set 4.1: A 372 LYS NZ :NH3+ 137:sc= 1.09 (180deg=0.868) USER MOD Set 4.2: A 374 THR OG1 : rot 157:sc= -1.68! USER MOD Set 4.3: A 375 THR OG1 : rot 180:sc= 0 USER MOD Set 4.4: A 440 HIS : no HD1:sc= -0.795 K(o=-1.4,f=-2.9) USER MOD Single : A 339 HIS :FLIP no HD1:sc= -0.144 F(o=-0.92,f=-0.14) USER MOD Single : A 340 MET CE :methyl -167:sc= -0.48 (180deg=-1.17) USER MOD Single : A 343 THR OG1 : rot 170:sc= -0.138 USER MOD Single : A 344 TYR OH : rot 69:sc= 1.26 USER MOD Single : A 351 ASN : amide:sc= 0.0562 X(o=0.056,f=0) USER MOD Single : A 352 GLN : amide:sc= -7.53! C(o=-7.5!,f=-11!) USER MOD Single : A 353 HIS : no HE2:sc= -4.03! C(o=-4!,f=-5.5!) USER MOD Single : A 354 MET CE :methyl -176:sc= -6.42! (180deg=-6.72!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 70:sc= -2.06! USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN :FLIP amide:sc= -0.33 F(o=-1.7,f=-0.33) 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= 0.0208 USER MOD Single : A 397 ASN :FLIP amide:sc= -0.901 F(o=-3.6,f=-0.9) USER MOD Single : A 401 THR OG1 : rot -96:sc= -0.393 USER MOD Single : A 403 TYR OH : rot 30:sc= -1.62! USER MOD Single : A 405 SER OG : rot -100:sc= 0.699 USER MOD Single : A 408 ASN :FLIP amide:sc= -0.0996 F(o=-0.71!,f=-0.1) USER MOD Single : A 409 TYR OH : rot 150:sc= 0 USER MOD Single : A 416 THR OG1 : rot -89:sc= 1.29 USER MOD Single : A 426 GLN : amide:sc= -3.09 X(o=-3.1,f=-3!) USER MOD Single : A 429 TYR OH : rot -154:sc= -0.354 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -36:sc= 0.522 USER MOD Single : A 445 THR OG1 : rot -151:sc= 1.16 USER MOD Single : A 448 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 177:sc= -4.52! (180deg=-4.74!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 -13.153 -11.406 2.605 1.00 3.94 N ATOM 2 CA GLY A 338 -13.517 -12.211 3.799 1.00 3.08 C ATOM 3 C GLY A 338 -12.913 -11.645 5.064 1.00 2.42 C ATOM 4 O GLY A 338 -12.341 -12.378 5.871 1.00 2.77 O ATOM 0 HA2 GLY A 338 -14.602 -12.244 3.898 1.00 3.08 H new ATOM 0 HA3 GLY A 338 -13.178 -13.238 3.662 1.00 3.08 H new ATOM 10 N HIS A 339 -13.046 -10.339 5.240 1.00 1.85 N ATOM 11 CA HIS A 339 -12.423 -9.639 6.352 1.00 1.24 C ATOM 12 C HIS A 339 -13.081 -8.293 6.536 1.00 1.07 C ATOM 13 O HIS A 339 -12.732 -7.330 5.864 1.00 1.60 O ATOM 14 CB HIS A 339 -10.934 -9.473 6.084 1.00 1.08 C ATOM 15 CG HIS A 339 -10.117 -8.900 7.201 1.00 0.56 C ATOM 16 ND1 HIS A 339 -10.412 -7.993 8.159 1.00 0.65 N flip ATOM 17 CD2 HIS A 339 -8.790 -9.210 7.369 1.00 1.00 C flip ATOM 18 CE1 HIS A 339 -9.265 -7.772 8.880 1.00 1.30 C flip ATOM 19 NE2 HIS A 339 -8.301 -8.520 8.378 1.00 1.60 N flip ATOM 0 H HIS A 339 -13.587 -9.737 4.619 1.00 1.85 H new ATOM 0 HA HIS A 339 -12.550 -10.219 7.266 1.00 1.24 H new ATOM 0 HB2 HIS A 339 -10.522 -10.449 5.825 1.00 1.08 H new ATOM 0 HB3 HIS A 339 -10.813 -8.834 5.209 1.00 1.08 H new ATOM 0 HD2 HIS A 339 -8.233 -9.912 6.766 1.00 1.00 H new ATOM 0 HE1 HIS A 339 -9.168 -7.098 9.718 1.00 1.30 H new ATOM 0 HE2 HIS A 339 -7.339 -8.557 8.715 1.00 1.60 H new ATOM 28 N MET A 340 -14.011 -8.254 7.475 1.00 0.83 N ATOM 29 CA MET A 340 -14.829 -7.076 7.748 1.00 0.69 C ATOM 30 C MET A 340 -15.778 -6.789 6.597 1.00 0.64 C ATOM 31 O MET A 340 -15.896 -7.585 5.666 1.00 0.83 O ATOM 32 CB MET A 340 -13.952 -5.873 8.080 1.00 0.61 C ATOM 33 CG MET A 340 -13.452 -5.891 9.495 1.00 0.72 C ATOM 34 SD MET A 340 -12.592 -4.384 9.972 1.00 1.03 S ATOM 35 CE MET A 340 -11.510 -4.213 8.566 1.00 0.58 C ATOM 0 H MET A 340 -14.225 -9.048 8.079 1.00 0.83 H new ATOM 0 HA MET A 340 -15.444 -7.282 8.624 1.00 0.69 H new ATOM 0 HB2 MET A 340 -13.101 -5.850 7.399 1.00 0.61 H new ATOM 0 HB3 MET A 340 -14.520 -4.958 7.912 1.00 0.61 H new ATOM 0 HG2 MET A 340 -14.295 -6.047 10.168 1.00 0.72 H new ATOM 0 HG3 MET A 340 -12.780 -6.740 9.624 1.00 0.72 H new ATOM 0 HE1 MET A 340 -10.743 -3.470 8.785 1.00 0.58 H new ATOM 0 HE2 MET A 340 -11.037 -5.171 8.352 1.00 0.58 H new ATOM 0 HE3 MET A 340 -12.088 -3.893 7.699 1.00 0.58 H new ATOM 45 N GLU A 341 -16.484 -5.681 6.692 1.00 0.56 N ATOM 46 CA GLU A 341 -17.521 -5.353 5.727 1.00 0.57 C ATOM 47 C GLU A 341 -17.576 -3.860 5.401 1.00 0.46 C ATOM 48 O GLU A 341 -18.259 -3.449 4.461 1.00 0.49 O ATOM 49 CB GLU A 341 -18.865 -5.819 6.262 1.00 0.73 C ATOM 50 CG GLU A 341 -19.179 -5.218 7.615 1.00 0.76 C ATOM 51 CD GLU A 341 -20.415 -5.804 8.254 1.00 0.97 C ATOM 52 OE1 GLU A 341 -20.298 -6.824 8.966 1.00 1.08 O1- ATOM 53 OE2 GLU A 341 -21.513 -5.255 8.034 1.00 1.10 O ATOM 0 H GLU A 341 -16.360 -4.988 7.430 1.00 0.56 H new ATOM 0 HA GLU A 341 -17.281 -5.868 4.797 1.00 0.57 H new ATOM 0 HB2 GLU A 341 -19.649 -5.549 5.555 1.00 0.73 H new ATOM 0 HB3 GLU A 341 -18.866 -6.906 6.340 1.00 0.73 H new ATOM 0 HG2 GLU A 341 -18.328 -5.370 8.279 1.00 0.76 H new ATOM 0 HG3 GLU A 341 -19.310 -4.141 7.506 1.00 0.76 H new ATOM 60 N ASP A 342 -16.888 -3.066 6.186 1.00 0.38 N ATOM 61 CA ASP A 342 -16.762 -1.634 5.965 1.00 0.32 C ATOM 62 C ASP A 342 -16.127 -1.275 4.631 1.00 0.25 C ATOM 63 O ASP A 342 -15.693 -2.128 3.855 1.00 0.27 O ATOM 64 CB ASP A 342 -15.998 -0.954 7.086 1.00 0.34 C ATOM 65 CG ASP A 342 -14.916 -1.779 7.755 1.00 0.62 C ATOM 66 OD1 ASP A 342 -15.182 -2.962 8.055 1.00 0.79 O ATOM 67 OD2 ASP A 342 -13.783 -1.272 7.933 1.00 0.98 O1- ATOM 0 H ASP A 342 -16.389 -3.397 7.012 1.00 0.38 H new ATOM 0 HA ASP A 342 -17.787 -1.265 5.949 1.00 0.32 H new ATOM 0 HB2 ASP A 342 -15.541 -0.048 6.689 1.00 0.34 H new ATOM 0 HB3 ASP A 342 -16.712 -0.643 7.848 1.00 0.34 H new ATOM 72 N THR A 343 -16.235 -0.001 4.308 1.00 0.23 N ATOM 73 CA THR A 343 -15.547 0.556 3.188 1.00 0.19 C ATOM 74 C THR A 343 -14.179 1.069 3.625 1.00 0.13 C ATOM 75 O THR A 343 -14.059 1.898 4.528 1.00 0.16 O ATOM 76 CB THR A 343 -16.360 1.704 2.590 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.650 1.228 2.176 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.635 2.310 1.417 1.00 0.20 C ATOM 0 H THR A 343 -16.807 0.668 4.824 1.00 0.23 H new ATOM 0 HA THR A 343 -15.417 -0.219 2.432 1.00 0.19 H new ATOM 0 HB THR A 343 -16.490 2.472 3.353 1.00 0.24 H new ATOM 0 HG1 THR A 343 -18.221 1.990 1.945 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.229 3.126 1.004 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.669 2.694 1.745 1.00 0.20 H new ATOM 0 HG23 THR A 343 -15.482 1.549 0.652 1.00 0.20 H new ATOM 86 N TYR A 344 -13.171 0.559 2.947 1.00 0.10 N ATOM 87 CA TYR A 344 -11.778 0.827 3.230 1.00 0.07 C ATOM 88 C TYR A 344 -10.918 0.490 2.033 1.00 0.06 C ATOM 89 O TYR A 344 -11.414 0.270 0.940 1.00 0.08 O ATOM 90 CB TYR A 344 -11.277 -0.014 4.395 1.00 0.08 C ATOM 91 CG TYR A 344 -11.814 -1.424 4.428 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.221 -2.453 3.712 1.00 0.14 C ATOM 93 CD2 TYR A 344 -12.929 -1.714 5.180 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.736 -3.734 3.750 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.453 -2.983 5.225 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.857 -3.992 4.508 1.00 0.25 C ATOM 97 OH TYR A 344 -13.390 -5.256 4.537 1.00 0.32 O ATOM 0 H TYR A 344 -13.305 -0.074 2.158 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.706 1.887 3.475 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.188 -0.055 4.355 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.544 0.484 5.327 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.344 -2.250 3.116 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.403 -0.927 5.747 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.264 -4.527 3.190 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.330 -3.187 5.822 1.00 0.25 H new ATOM 0 HH TYR A 344 -12.779 -5.858 5.011 1.00 0.32 H new ATOM 107 N ILE A 345 -9.617 0.485 2.244 1.00 0.05 N ATOM 108 CA ILE A 345 -8.711 -0.108 1.290 1.00 0.05 C ATOM 109 C ILE A 345 -8.304 -1.481 1.810 1.00 0.05 C ATOM 110 O ILE A 345 -8.487 -1.745 2.986 1.00 0.08 O ATOM 111 CB ILE A 345 -7.455 0.743 1.058 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.796 2.215 0.984 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.809 0.310 -0.237 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.772 2.498 -0.103 1.00 0.07 C ATOM 0 H ILE A 345 -9.167 0.885 3.067 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.226 -0.180 0.332 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.772 0.597 1.895 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.209 2.542 1.938 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.886 2.792 0.816 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.914 0.907 -0.415 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.536 -0.743 -0.173 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.510 0.453 -1.059 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -8.993 3.565 -0.125 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.348 2.195 -1.060 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.691 1.941 0.079 1.00 0.07 H new ATOM 126 N GLU A 346 -7.776 -2.360 0.966 1.00 0.05 N ATOM 127 CA GLU A 346 -7.373 -3.688 1.436 1.00 0.05 C ATOM 128 C GLU A 346 -6.128 -4.168 0.746 1.00 0.05 C ATOM 129 O GLU A 346 -5.777 -3.698 -0.314 1.00 0.06 O ATOM 130 CB GLU A 346 -8.491 -4.693 1.209 1.00 0.06 C ATOM 131 CG GLU A 346 -8.689 -5.581 2.383 1.00 0.07 C ATOM 132 CD GLU A 346 -9.644 -6.736 2.139 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.316 -7.633 1.330 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.716 -6.770 2.779 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.618 -2.187 -0.027 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.165 -3.603 2.502 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.418 -4.161 0.996 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.262 -5.298 0.332 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.722 -5.982 2.687 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.063 -4.985 3.215 1.00 0.07 H new ATOM 141 N VAL A 347 -5.442 -5.068 1.413 1.00 0.05 N ATOM 142 CA VAL A 347 -4.200 -5.630 0.942 1.00 0.05 C ATOM 143 C VAL A 347 -4.032 -7.037 1.471 1.00 0.07 C ATOM 144 O VAL A 347 -4.270 -7.307 2.648 1.00 0.08 O ATOM 145 CB VAL A 347 -3.008 -4.816 1.445 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.716 -5.524 1.100 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.011 -3.420 0.877 1.00 0.06 C ATOM 0 H VAL A 347 -5.739 -5.436 2.317 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.232 -5.621 -0.147 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.092 -4.730 2.528 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.872 -4.937 1.462 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.703 -6.507 1.571 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.641 -5.638 0.019 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.149 -2.871 1.257 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -2.959 -3.470 -0.211 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.927 -2.908 1.174 1.00 0.06 H new ATOM 157 N ASP A 348 -3.582 -7.903 0.604 1.00 0.08 N ATOM 158 CA ASP A 348 -3.305 -9.280 0.947 1.00 0.11 C ATOM 159 C ASP A 348 -1.878 -9.587 0.578 1.00 0.15 C ATOM 160 O ASP A 348 -1.504 -9.646 -0.586 1.00 0.24 O ATOM 161 CB ASP A 348 -4.274 -10.171 0.176 1.00 0.14 C ATOM 162 CG ASP A 348 -4.098 -11.662 0.402 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.971 -12.173 0.274 1.00 0.33 O ATOM 164 OD2 ASP A 348 -5.113 -12.345 0.664 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.394 -7.674 -0.372 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.436 -9.458 2.014 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.292 -9.896 0.450 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -4.163 -9.965 -0.889 1.00 0.14 H new ATOM 169 N LEU A 349 -1.082 -9.681 1.637 1.00 0.13 N ATOM 170 CA LEU A 349 0.367 -9.733 1.572 1.00 0.14 C ATOM 171 C LEU A 349 0.844 -10.973 0.879 1.00 0.20 C ATOM 172 O LEU A 349 1.813 -10.968 0.136 1.00 0.32 O ATOM 173 CB LEU A 349 0.928 -9.695 2.998 1.00 0.16 C ATOM 174 CG LEU A 349 0.750 -8.392 3.762 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.897 -7.208 2.860 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.578 -8.340 4.448 1.00 0.12 C ATOM 0 H LEU A 349 -1.441 -9.724 2.591 1.00 0.13 H new ATOM 0 HA LEU A 349 0.718 -8.875 0.999 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.457 -10.494 3.571 1.00 0.16 H new ATOM 0 HB3 LEU A 349 1.993 -9.921 2.952 1.00 0.16 H new ATOM 0 HG LEU A 349 1.535 -8.357 4.517 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.764 -6.293 3.437 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.890 -7.213 2.411 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.144 -7.254 2.074 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.673 -7.396 4.985 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.374 -8.418 3.707 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.656 -9.168 5.153 1.00 0.12 H new ATOM 188 N GLU A 350 0.169 -12.038 1.239 1.00 0.20 N ATOM 189 CA GLU A 350 0.339 -13.347 0.683 1.00 0.24 C ATOM 190 C GLU A 350 0.178 -13.373 -0.817 1.00 0.22 C ATOM 191 O GLU A 350 1.042 -13.843 -1.542 1.00 0.31 O ATOM 192 CB GLU A 350 -0.712 -14.208 1.301 1.00 0.31 C ATOM 193 CG GLU A 350 -0.356 -14.699 2.674 1.00 0.41 C ATOM 194 CD GLU A 350 0.194 -13.634 3.597 1.00 0.84 C ATOM 195 OE1 GLU A 350 -0.550 -12.703 3.949 1.00 1.51 O ATOM 196 OE2 GLU A 350 1.378 -13.734 3.983 1.00 0.96 O1- ATOM 0 H GLU A 350 -0.548 -12.007 1.964 1.00 0.20 H new ATOM 0 HA GLU A 350 1.351 -13.695 0.892 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.644 -13.646 1.356 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.894 -15.066 0.653 1.00 0.31 H new ATOM 0 HG2 GLU A 350 -1.244 -15.136 3.132 1.00 0.41 H new ATOM 0 HG3 GLU A 350 0.380 -15.497 2.581 1.00 0.41 H new ATOM 203 N ASN A 351 -0.983 -12.925 -1.258 1.00 0.18 N ATOM 204 CA ASN A 351 -1.380 -13.040 -2.650 1.00 0.19 C ATOM 205 C ASN A 351 -0.993 -11.796 -3.397 1.00 0.21 C ATOM 206 O ASN A 351 -1.269 -11.641 -4.588 1.00 0.35 O ATOM 207 CB ASN A 351 -2.891 -13.268 -2.766 1.00 0.27 C ATOM 208 CG ASN A 351 -3.330 -14.606 -2.213 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.405 -15.600 -2.934 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.623 -14.639 -0.924 1.00 0.39 N ATOM 0 H ASN A 351 -1.677 -12.472 -0.663 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.866 -13.897 -3.085 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.415 -12.472 -2.236 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.184 -13.200 -3.814 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.925 -15.512 -0.492 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.547 -13.791 -0.362 1.00 0.39 H new ATOM 217 N GLN A 352 -0.358 -10.907 -2.623 1.00 0.12 N ATOM 218 CA GLN A 352 0.140 -9.625 -3.099 1.00 0.11 C ATOM 219 C GLN A 352 -0.914 -8.877 -3.890 1.00 0.11 C ATOM 220 O GLN A 352 -0.728 -8.572 -5.060 1.00 0.18 O ATOM 221 CB GLN A 352 1.379 -9.824 -3.942 1.00 0.18 C ATOM 222 CG GLN A 352 2.585 -10.375 -3.185 1.00 0.30 C ATOM 223 CD GLN A 352 3.340 -9.319 -2.414 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.334 -8.787 -2.897 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.887 -9.017 -1.211 1.00 1.92 N ATOM 0 H GLN A 352 -0.176 -11.068 -1.632 1.00 0.12 H new ATOM 0 HA GLN A 352 0.393 -9.023 -2.226 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.140 -10.503 -4.760 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.654 -8.869 -4.390 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.249 -11.149 -2.494 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.263 -10.852 -3.893 1.00 0.30 H new ATOM 0 HE21 GLN A 352 2.056 -9.484 -0.847 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.368 -8.317 -0.646 1.00 1.92 H new ATOM 234 N HIS A 353 -1.985 -8.526 -3.223 1.00 0.07 N ATOM 235 CA HIS A 353 -3.115 -7.891 -3.886 1.00 0.07 C ATOM 236 C HIS A 353 -3.728 -6.843 -2.966 1.00 0.06 C ATOM 237 O HIS A 353 -4.004 -7.102 -1.811 1.00 0.07 O ATOM 238 CB HIS A 353 -4.168 -8.940 -4.227 1.00 0.08 C ATOM 239 CG HIS A 353 -5.098 -8.514 -5.321 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.964 -8.889 -6.640 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.192 -7.730 -5.274 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.941 -8.347 -7.345 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.703 -7.645 -6.539 1.00 0.13 N ATOM 0 H HIS A 353 -2.106 -8.666 -2.220 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.768 -7.413 -4.802 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.669 -9.863 -4.523 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.749 -9.165 -3.333 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -4.228 -9.489 -7.013 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.594 -7.253 -4.393 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -6.088 -8.462 -8.409 1.00 0.13 H new ATOM 252 N MET A 354 -3.893 -5.656 -3.488 1.00 0.05 N ATOM 253 CA MET A 354 -4.466 -4.548 -2.772 1.00 0.05 C ATOM 254 C MET A 354 -5.782 -4.129 -3.407 1.00 0.04 C ATOM 255 O MET A 354 -5.871 -3.918 -4.613 1.00 0.05 O ATOM 256 CB MET A 354 -3.464 -3.414 -2.794 1.00 0.05 C ATOM 257 CG MET A 354 -3.942 -2.201 -2.051 1.00 0.06 C ATOM 258 SD MET A 354 -3.645 -0.678 -2.929 1.00 0.06 S ATOM 259 CE MET A 354 -4.685 -1.034 -4.306 1.00 0.06 C ATOM 0 H MET A 354 -3.626 -5.428 -4.446 1.00 0.05 H new ATOM 0 HA MET A 354 -4.682 -4.830 -1.741 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.526 -3.756 -2.357 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.253 -3.141 -3.828 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.010 -2.299 -1.857 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.445 -2.157 -1.082 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.603 -0.233 -5.041 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.377 -1.976 -4.760 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.719 -1.114 -3.970 1.00 0.06 H new ATOM 269 N TRP A 355 -6.795 -4.036 -2.568 1.00 0.05 N ATOM 270 CA TRP A 355 -8.148 -3.722 -2.985 1.00 0.05 C ATOM 271 C TRP A 355 -8.585 -2.383 -2.476 1.00 0.05 C ATOM 272 O TRP A 355 -7.913 -1.778 -1.671 1.00 0.05 O ATOM 273 CB TRP A 355 -9.150 -4.723 -2.452 1.00 0.06 C ATOM 274 CG TRP A 355 -9.040 -6.080 -3.018 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.677 -6.554 -4.111 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.267 -7.145 -2.494 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.340 -7.862 -4.317 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.466 -8.255 -3.325 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.418 -7.256 -1.401 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.835 -9.476 -3.086 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.796 -8.452 -1.164 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.003 -9.555 -2.003 1.00 0.10 C ATOM 0 H TRP A 355 -6.700 -4.179 -1.562 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.125 -3.740 -4.075 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.036 -4.787 -1.370 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.154 -4.346 -2.645 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.353 -5.983 -4.731 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.679 -8.450 -5.078 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.251 -6.412 -0.748 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.997 -10.327 -3.731 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.134 -8.547 -0.316 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.496 -10.485 -1.791 1.00 0.10 H new ATOM 293 N TYR A 356 -9.745 -1.966 -2.920 1.00 0.06 N ATOM 294 CA TYR A 356 -10.463 -0.895 -2.274 1.00 0.06 C ATOM 295 C TYR A 356 -11.809 -1.447 -1.963 1.00 0.06 C ATOM 296 O TYR A 356 -12.554 -1.787 -2.848 1.00 0.07 O ATOM 297 CB TYR A 356 -10.572 0.342 -3.152 1.00 0.06 C ATOM 298 CG TYR A 356 -11.356 1.495 -2.490 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.620 1.293 -1.971 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.826 2.780 -2.367 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.322 2.309 -1.359 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.530 3.802 -1.753 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.777 3.604 -1.337 1.00 0.13 C ATOM 304 OH TYR A 356 -13.476 4.571 -0.640 1.00 0.20 O ATOM 0 H TYR A 356 -10.216 -2.357 -3.736 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.937 -0.565 -1.378 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.570 0.690 -3.402 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.059 0.072 -4.089 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.070 0.314 -2.047 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.841 2.983 -2.761 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.280 2.112 -0.901 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.063 4.766 -1.611 1.00 0.09 H new ATOM 0 HH TYR A 356 -12.998 5.425 -0.697 1.00 0.20 H new ATOM 314 N TYR A 357 -12.100 -1.603 -0.710 1.00 0.09 N ATOM 315 CA TYR A 357 -13.376 -2.128 -0.346 1.00 0.11 C ATOM 316 C TYR A 357 -14.364 -1.040 -0.097 1.00 0.12 C ATOM 317 O TYR A 357 -14.148 -0.152 0.699 1.00 0.14 O ATOM 318 CB TYR A 357 -13.312 -3.048 0.861 1.00 0.12 C ATOM 319 CG TYR A 357 -12.945 -4.450 0.496 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.661 -4.771 0.081 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.880 -5.457 0.595 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.326 -6.070 -0.235 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.557 -6.753 0.292 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.254 -7.026 -0.233 1.00 0.14 C ATOM 325 OH TYR A 357 -11.953 -8.359 -0.433 1.00 0.18 O ATOM 0 H TYR A 357 -11.480 -1.378 0.068 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.706 -2.722 -1.198 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.583 -2.659 1.572 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.279 -3.049 1.364 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.915 -3.994 0.005 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.884 -5.221 0.917 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.304 -6.315 -0.486 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.269 -7.550 0.446 1.00 0.16 H new ATOM 0 HH TYR A 357 -12.776 -8.890 -0.392 1.00 0.18 H new ATOM 335 N LYS A 358 -15.441 -1.137 -0.801 1.00 0.12 N ATOM 336 CA LYS A 358 -16.552 -0.323 -0.643 1.00 0.14 C ATOM 337 C LYS A 358 -17.773 -1.150 -0.785 1.00 0.17 C ATOM 338 O LYS A 358 -17.836 -2.061 -1.605 1.00 0.19 O ATOM 339 CB LYS A 358 -16.600 0.729 -1.643 1.00 0.18 C ATOM 340 CG LYS A 358 -17.656 1.604 -1.232 1.00 0.24 C ATOM 341 CD LYS A 358 -17.721 2.785 -2.051 1.00 0.28 C ATOM 342 CE LYS A 358 -16.442 3.527 -2.081 1.00 0.42 C ATOM 343 NZ LYS A 358 -16.547 4.796 -2.850 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.555 -1.833 -1.538 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.491 0.139 0.342 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.650 1.260 -1.698 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.794 0.319 -2.634 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.607 1.074 -1.282 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -17.506 1.891 -0.191 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -17.997 2.503 -3.067 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -18.508 3.440 -1.676 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.128 3.747 -1.061 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -15.669 2.898 -2.524 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -15.628 5.282 -2.844 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -16.822 4.586 -3.831 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.265 5.408 -2.413 1.00 0.47 H new ATOM 357 N ASP A 359 -18.739 -0.806 0.026 1.00 0.23 N ATOM 358 CA ASP A 359 -20.042 -1.413 -0.018 1.00 0.30 C ATOM 359 C ASP A 359 -19.919 -2.851 0.377 1.00 0.27 C ATOM 360 O ASP A 359 -20.816 -3.670 0.178 1.00 0.33 O ATOM 361 CB ASP A 359 -20.612 -1.266 -1.414 1.00 0.34 C ATOM 362 CG ASP A 359 -22.083 -0.905 -1.424 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.410 0.284 -1.217 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.920 -1.804 -1.644 1.00 0.60 O ATOM 0 H ASP A 359 -18.641 -0.088 0.744 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.722 -0.922 0.678 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.053 -0.498 -1.949 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.470 -2.200 -1.957 1.00 0.34 H new ATOM 369 N GLY A 360 -18.770 -3.106 0.983 1.00 0.22 N ATOM 370 CA GLY A 360 -18.436 -4.405 1.458 1.00 0.21 C ATOM 371 C GLY A 360 -17.957 -5.301 0.353 1.00 0.19 C ATOM 372 O GLY A 360 -17.924 -6.526 0.459 1.00 0.23 O ATOM 0 H GLY A 360 -18.051 -2.402 1.152 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.662 -4.324 2.221 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.308 -4.852 1.935 1.00 0.21 H new ATOM 376 N LYS A 361 -17.575 -4.635 -0.687 1.00 0.16 N ATOM 377 CA LYS A 361 -17.225 -5.192 -1.956 1.00 0.17 C ATOM 378 C LYS A 361 -16.007 -4.419 -2.413 1.00 0.13 C ATOM 379 O LYS A 361 -15.560 -3.545 -1.688 1.00 0.15 O ATOM 380 CB LYS A 361 -18.449 -4.969 -2.829 1.00 0.22 C ATOM 381 CG LYS A 361 -18.210 -4.756 -4.284 1.00 0.32 C ATOM 382 CD LYS A 361 -17.842 -6.023 -5.017 1.00 0.55 C ATOM 383 CE LYS A 361 -18.843 -7.094 -4.742 1.00 0.52 C ATOM 384 NZ LYS A 361 -18.630 -8.304 -5.576 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.493 -3.618 -0.673 1.00 0.16 H new ATOM 0 HA LYS A 361 -16.976 -6.253 -1.968 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.108 -5.830 -2.716 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -18.987 -4.103 -2.443 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -19.107 -4.330 -4.735 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.412 -4.025 -4.411 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -17.793 -5.829 -6.089 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -16.851 -6.355 -4.707 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -18.794 -7.370 -3.689 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -19.845 -6.705 -4.923 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -19.352 -9.016 -5.345 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.704 -8.050 -6.582 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.685 -8.695 -5.386 1.00 0.68 H new ATOM 398 N VAL A 362 -15.429 -4.707 -3.552 1.00 0.10 N ATOM 399 CA VAL A 362 -14.296 -3.912 -3.935 1.00 0.09 C ATOM 400 C VAL A 362 -14.613 -2.970 -5.032 1.00 0.09 C ATOM 401 O VAL A 362 -15.286 -3.262 -6.024 1.00 0.11 O ATOM 402 CB VAL A 362 -12.989 -4.647 -4.242 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.727 -5.716 -3.226 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.927 -5.174 -5.647 1.00 0.52 C ATOM 0 H VAL A 362 -15.706 -5.446 -4.199 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.092 -3.369 -3.012 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.187 -3.912 -4.171 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.793 -6.224 -3.465 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.652 -5.266 -2.236 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.545 -6.436 -3.237 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -11.977 -5.684 -5.803 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.746 -5.875 -5.809 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.013 -4.346 -6.350 1.00 0.52 H new ATOM 414 N ALA A 363 -14.112 -1.825 -4.765 1.00 0.09 N ATOM 415 CA ALA A 363 -14.124 -0.713 -5.622 1.00 0.10 C ATOM 416 C ALA A 363 -12.913 -0.790 -6.495 1.00 0.10 C ATOM 417 O ALA A 363 -12.881 -0.266 -7.609 1.00 0.12 O ATOM 418 CB ALA A 363 -14.030 0.498 -4.750 1.00 0.11 C ATOM 0 H ALA A 363 -13.650 -1.631 -3.876 1.00 0.09 H new ATOM 0 HA ALA A 363 -15.020 -0.679 -6.242 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.035 1.394 -5.370 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.881 0.523 -4.069 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.105 0.461 -4.174 1.00 0.11 H new ATOM 424 N LEU A 364 -11.906 -1.459 -5.965 1.00 0.08 N ATOM 425 CA LEU A 364 -10.640 -1.503 -6.615 1.00 0.07 C ATOM 426 C LEU A 364 -9.908 -2.777 -6.229 1.00 0.06 C ATOM 427 O LEU A 364 -10.184 -3.368 -5.188 1.00 0.08 O ATOM 428 CB LEU A 364 -9.817 -0.274 -6.267 1.00 0.06 C ATOM 429 CG LEU A 364 -8.857 0.099 -7.371 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.527 0.910 -8.447 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.659 0.843 -6.880 1.00 0.06 C ATOM 0 H LEU A 364 -11.955 -1.974 -5.086 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.794 -1.504 -7.694 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.485 0.565 -6.069 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.259 -0.460 -5.349 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.522 -0.851 -7.786 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.801 1.157 -9.222 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.342 0.332 -8.884 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.924 1.829 -8.016 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -7.009 1.082 -7.722 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.977 1.765 -6.394 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.115 0.226 -6.165 1.00 0.06 H new ATOM 443 N GLU A 365 -8.998 -3.195 -7.080 1.00 0.07 N ATOM 444 CA GLU A 365 -8.261 -4.446 -6.900 1.00 0.07 C ATOM 445 C GLU A 365 -7.030 -4.464 -7.756 1.00 0.07 C ATOM 446 O GLU A 365 -7.120 -4.335 -8.976 1.00 0.09 O ATOM 447 CB GLU A 365 -9.092 -5.653 -7.293 1.00 0.09 C ATOM 448 CG GLU A 365 -10.122 -5.321 -8.324 1.00 0.22 C ATOM 449 CD GLU A 365 -10.956 -6.512 -8.750 1.00 0.26 C ATOM 450 OE1 GLU A 365 -10.376 -7.540 -9.149 1.00 0.60 O1- ATOM 451 OE2 GLU A 365 -12.201 -6.430 -8.665 1.00 0.61 O ATOM 0 H GLU A 365 -8.740 -2.682 -7.923 1.00 0.07 H new ATOM 0 HA GLU A 365 -8.005 -4.499 -5.842 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.436 -6.434 -7.677 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.584 -6.056 -6.408 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -10.782 -4.547 -7.931 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -9.626 -4.903 -9.200 1.00 0.22 H new ATOM 458 N THR A 366 -5.884 -4.622 -7.146 1.00 0.06 N ATOM 459 CA THR A 366 -4.691 -4.780 -7.913 1.00 0.06 C ATOM 460 C THR A 366 -3.658 -5.640 -7.233 1.00 0.06 C ATOM 461 O THR A 366 -3.739 -5.956 -6.057 1.00 0.07 O ATOM 462 CB THR A 366 -4.126 -3.413 -8.262 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.892 -3.527 -8.958 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.948 -2.608 -7.008 1.00 0.07 C ATOM 0 H THR A 366 -5.759 -4.644 -6.134 1.00 0.06 H new ATOM 0 HA THR A 366 -4.958 -5.309 -8.828 1.00 0.06 H new ATOM 0 HB THR A 366 -4.830 -2.905 -8.921 1.00 0.07 H new ATOM 0 HG1 THR A 366 -3.055 -3.886 -9.855 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.543 -1.628 -7.259 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.912 -2.486 -6.514 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.260 -3.124 -6.339 1.00 0.07 H new ATOM 472 N ASP A 367 -2.707 -6.002 -8.030 1.00 0.07 N ATOM 473 CA ASP A 367 -1.556 -6.742 -7.652 1.00 0.10 C ATOM 474 C ASP A 367 -0.534 -5.780 -7.123 1.00 0.10 C ATOM 475 O ASP A 367 -0.409 -4.660 -7.617 1.00 0.11 O ATOM 476 CB ASP A 367 -1.045 -7.453 -8.891 1.00 0.15 C ATOM 477 CG ASP A 367 -1.057 -6.588 -10.149 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.159 -6.252 -10.638 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.019 -6.273 -10.681 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.717 -5.773 -9.024 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.776 -7.477 -6.878 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.027 -7.796 -8.707 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.654 -8.340 -9.066 1.00 0.15 H new ATOM 484 N ILE A 368 0.134 -6.197 -6.074 1.00 0.09 N ATOM 485 CA ILE A 368 1.100 -5.361 -5.391 1.00 0.09 C ATOM 486 C ILE A 368 2.290 -6.158 -4.905 1.00 0.09 C ATOM 487 O ILE A 368 2.441 -7.333 -5.211 1.00 0.11 O ATOM 488 CB ILE A 368 0.476 -4.669 -4.184 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.191 -5.716 -3.309 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.494 -3.597 -4.630 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.602 -6.064 -2.075 1.00 0.11 C ATOM 0 H ILE A 368 0.025 -7.126 -5.667 1.00 0.09 H new ATOM 0 HA ILE A 368 1.429 -4.621 -6.121 1.00 0.09 H new ATOM 0 HB ILE A 368 1.247 -4.170 -3.598 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.174 -5.354 -3.009 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.350 -6.621 -3.896 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.930 -3.114 -3.755 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.034 -2.855 -5.229 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.286 -4.049 -5.227 1.00 0.08 H new ATOM 0 HD11 ILE A 368 0.065 -6.817 -1.498 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.576 -6.456 -2.367 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.739 -5.170 -1.466 1.00 0.11 H new ATOM 503 N VAL A 369 3.118 -5.494 -4.123 1.00 0.09 N ATOM 504 CA VAL A 369 4.249 -6.120 -3.473 1.00 0.09 C ATOM 505 C VAL A 369 4.585 -5.338 -2.208 1.00 0.09 C ATOM 506 O VAL A 369 4.745 -4.128 -2.241 1.00 0.11 O ATOM 507 CB VAL A 369 5.468 -6.303 -4.425 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.397 -5.390 -5.619 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.785 -6.107 -3.713 1.00 0.12 C ATOM 0 H VAL A 369 3.023 -4.499 -3.920 1.00 0.09 H new ATOM 0 HA VAL A 369 3.977 -7.137 -3.190 1.00 0.09 H new ATOM 0 HB VAL A 369 5.417 -7.334 -4.774 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.268 -5.553 -6.254 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.490 -5.602 -6.185 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.382 -4.353 -5.284 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.604 -6.245 -4.419 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.828 -5.100 -3.299 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.874 -6.835 -2.907 1.00 0.12 H new ATOM 519 N SER A 370 4.555 -6.030 -1.081 1.00 0.09 N ATOM 520 CA SER A 370 4.596 -5.372 0.216 1.00 0.10 C ATOM 521 C SER A 370 5.371 -6.146 1.278 1.00 0.10 C ATOM 522 O SER A 370 5.269 -7.365 1.365 1.00 0.10 O ATOM 523 CB SER A 370 3.175 -5.192 0.685 1.00 0.12 C ATOM 524 OG SER A 370 3.114 -4.940 2.068 1.00 0.70 O ATOM 0 H SER A 370 4.502 -7.048 -1.037 1.00 0.09 H new ATOM 0 HA SER A 370 5.118 -4.424 0.085 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.714 -4.366 0.143 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.598 -6.087 0.452 1.00 0.12 H new ATOM 0 HG SER A 370 3.740 -4.221 2.297 1.00 0.70 H new ATOM 530 N GLY A 371 6.082 -5.410 2.124 1.00 0.09 N ATOM 531 CA GLY A 371 6.538 -5.963 3.382 1.00 0.10 C ATOM 532 C GLY A 371 7.671 -6.983 3.316 1.00 0.11 C ATOM 533 O GLY A 371 7.557 -8.025 3.949 1.00 0.13 O ATOM 0 H GLY A 371 6.350 -4.440 1.960 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.860 -5.139 4.018 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.687 -6.433 3.875 1.00 0.10 H new ATOM 537 N LYS A 372 8.728 -6.716 2.546 1.00 0.11 N ATOM 538 CA LYS A 372 9.797 -7.664 2.317 1.00 0.14 C ATOM 539 C LYS A 372 10.261 -8.279 3.618 1.00 0.16 C ATOM 540 O LYS A 372 10.276 -7.616 4.644 1.00 0.19 O ATOM 541 CB LYS A 372 10.955 -6.952 1.650 1.00 0.17 C ATOM 542 CG LYS A 372 11.572 -5.867 2.482 1.00 0.22 C ATOM 543 CD LYS A 372 12.984 -6.207 2.743 1.00 0.30 C ATOM 544 CE LYS A 372 13.928 -5.258 2.049 1.00 0.47 C ATOM 545 NZ LYS A 372 15.349 -5.648 2.222 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.858 -5.826 2.064 1.00 0.11 H new ATOM 0 HA LYS A 372 9.427 -8.463 1.674 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.723 -7.685 1.402 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.609 -6.521 0.710 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.505 -4.910 1.964 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.031 -5.759 3.422 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.170 -6.184 3.817 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.180 -7.225 2.407 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.690 -5.225 0.986 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.780 -4.251 2.440 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.850 -5.545 1.316 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.793 -5.035 2.935 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.401 -6.638 2.536 1.00 0.48 H new ATOM 559 N PRO A 373 10.618 -9.548 3.563 1.00 0.18 N ATOM 560 CA PRO A 373 10.917 -10.404 4.716 1.00 0.20 C ATOM 561 C PRO A 373 11.593 -9.714 5.919 1.00 0.20 C ATOM 562 O PRO A 373 11.353 -10.081 7.073 1.00 0.22 O ATOM 563 CB PRO A 373 11.826 -11.411 4.061 1.00 0.23 C ATOM 564 CG PRO A 373 11.127 -11.661 2.786 1.00 0.22 C ATOM 565 CD PRO A 373 10.769 -10.292 2.310 1.00 0.19 C ATOM 0 HA PRO A 373 10.016 -10.794 5.190 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.830 -11.016 3.907 1.00 0.23 H new ATOM 0 HB3 PRO A 373 11.928 -12.318 4.656 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.767 -12.179 2.072 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.242 -12.281 2.929 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.548 -9.866 1.677 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.849 -10.294 1.726 1.00 0.19 H new ATOM 573 N THR A 374 12.418 -8.708 5.652 1.00 0.20 N ATOM 574 CA THR A 374 13.155 -8.014 6.692 1.00 0.23 C ATOM 575 C THR A 374 12.274 -6.993 7.403 1.00 0.20 C ATOM 576 O THR A 374 12.399 -6.775 8.609 1.00 0.23 O ATOM 577 CB THR A 374 14.370 -7.297 6.089 1.00 0.28 C ATOM 578 OG1 THR A 374 13.998 -6.004 5.596 1.00 0.28 O ATOM 579 CG2 THR A 374 14.929 -8.110 4.943 1.00 0.30 C ATOM 0 H THR A 374 12.592 -8.354 4.711 1.00 0.20 H new ATOM 0 HA THR A 374 13.486 -8.757 7.417 1.00 0.23 H new ATOM 0 HB THR A 374 15.122 -7.184 6.870 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.788 -5.425 5.567 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.791 -7.596 4.519 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.234 -9.091 5.308 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.165 -8.230 4.175 1.00 0.30 H new ATOM 587 N THR A 375 11.383 -6.369 6.645 1.00 0.18 N ATOM 588 CA THR A 375 10.463 -5.394 7.194 1.00 0.18 C ATOM 589 C THR A 375 9.092 -5.557 6.558 1.00 0.14 C ATOM 590 O THR A 375 8.674 -4.795 5.683 1.00 0.13 O ATOM 591 CB THR A 375 10.959 -3.949 7.038 1.00 0.23 C ATOM 592 OG1 THR A 375 12.303 -3.834 7.528 1.00 0.30 O ATOM 593 CG2 THR A 375 10.054 -3.002 7.807 1.00 0.27 C ATOM 0 H THR A 375 11.281 -6.525 5.642 1.00 0.18 H new ATOM 0 HA THR A 375 10.396 -5.585 8.265 1.00 0.18 H new ATOM 0 HB THR A 375 10.939 -3.685 5.981 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.611 -2.910 7.423 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.414 -1.980 7.690 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.038 -3.075 7.420 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.060 -3.270 8.863 1.00 0.27 H new ATOM 601 N PRO A 376 8.418 -6.608 6.990 1.00 0.13 N ATOM 602 CA PRO A 376 7.094 -6.999 6.529 1.00 0.11 C ATOM 603 C PRO A 376 6.004 -6.057 6.973 1.00 0.11 C ATOM 604 O PRO A 376 6.153 -5.276 7.916 1.00 0.15 O ATOM 605 CB PRO A 376 6.885 -8.357 7.182 1.00 0.14 C ATOM 606 CG PRO A 376 8.234 -8.787 7.555 1.00 0.16 C ATOM 607 CD PRO A 376 8.930 -7.548 7.962 1.00 0.15 C ATOM 0 HA PRO A 376 7.042 -7.000 5.440 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.235 -8.284 8.054 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.418 -9.062 6.494 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.207 -9.511 8.370 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.741 -9.268 6.718 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.688 -7.256 8.984 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.014 -7.648 7.907 1.00 0.15 H new ATOM 615 N THR A 377 4.906 -6.149 6.256 1.00 0.08 N ATOM 616 CA THR A 377 3.725 -5.387 6.540 1.00 0.08 C ATOM 617 C THR A 377 3.066 -5.865 7.826 1.00 0.08 C ATOM 618 O THR A 377 3.102 -7.045 8.170 1.00 0.11 O ATOM 619 CB THR A 377 2.736 -5.530 5.386 1.00 0.09 C ATOM 620 OG1 THR A 377 3.330 -6.348 4.365 1.00 0.12 O ATOM 621 CG2 THR A 377 2.351 -4.185 4.814 1.00 0.11 C ATOM 0 H THR A 377 4.814 -6.766 5.449 1.00 0.08 H new ATOM 0 HA THR A 377 4.011 -4.342 6.661 1.00 0.08 H new ATOM 0 HB THR A 377 1.826 -5.997 5.762 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.207 -5.921 3.491 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.646 -4.326 3.995 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.887 -3.578 5.592 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.242 -3.679 4.443 1.00 0.11 H new ATOM 629 N PRO A 378 2.401 -4.929 8.492 1.00 0.07 N ATOM 630 CA PRO A 378 1.856 -5.089 9.832 1.00 0.07 C ATOM 631 C PRO A 378 0.572 -5.900 9.857 1.00 0.07 C ATOM 632 O PRO A 378 0.438 -6.828 10.656 1.00 0.09 O ATOM 633 CB PRO A 378 1.557 -3.657 10.270 1.00 0.08 C ATOM 634 CG PRO A 378 1.866 -2.769 9.115 1.00 0.09 C ATOM 635 CD PRO A 378 2.093 -3.629 7.936 1.00 0.08 C ATOM 0 HA PRO A 378 2.552 -5.625 10.477 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.513 -3.555 10.565 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.161 -3.386 11.136 1.00 0.08 H new ATOM 0 HG2 PRO A 378 1.042 -2.079 8.932 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.749 -2.164 9.323 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.210 -3.669 7.298 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.913 -3.255 7.323 1.00 0.08 H new ATOM 643 N ALA A 379 -0.359 -5.535 8.975 1.00 0.06 N ATOM 644 CA ALA A 379 -1.660 -6.170 8.888 1.00 0.07 C ATOM 645 C ALA A 379 -2.542 -5.923 10.104 1.00 0.07 C ATOM 646 O ALA A 379 -2.182 -6.225 11.242 1.00 0.09 O ATOM 647 CB ALA A 379 -1.489 -7.628 8.584 1.00 0.08 C ATOM 0 H ALA A 379 -0.223 -4.784 8.299 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.201 -5.703 8.065 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.468 -8.103 8.519 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -0.966 -7.743 7.635 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.909 -8.099 9.377 1.00 0.08 H new ATOM 653 N GLY A 380 -3.712 -5.356 9.829 1.00 0.08 N ATOM 654 CA GLY A 380 -4.656 -5.014 10.861 1.00 0.10 C ATOM 655 C GLY A 380 -5.724 -4.089 10.343 1.00 0.10 C ATOM 656 O GLY A 380 -6.354 -4.369 9.327 1.00 0.11 O ATOM 0 H GLY A 380 -4.022 -5.126 8.885 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.116 -5.922 11.251 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.133 -4.540 11.692 1.00 0.10 H new ATOM 660 N VAL A 381 -5.900 -2.975 11.024 1.00 0.11 N ATOM 661 CA VAL A 381 -6.871 -1.983 10.644 1.00 0.12 C ATOM 662 C VAL A 381 -6.183 -0.628 10.511 1.00 0.12 C ATOM 663 O VAL A 381 -5.807 0.023 11.488 1.00 0.21 O ATOM 664 CB VAL A 381 -8.037 -1.944 11.646 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.592 -1.533 13.044 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.164 -1.055 11.134 1.00 0.87 C ATOM 0 H VAL A 381 -5.368 -2.736 11.861 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.300 -2.245 9.677 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.419 -2.961 11.732 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.454 -1.522 13.711 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.855 -2.245 13.415 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.149 -0.538 13.007 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.977 -1.044 11.860 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.791 -0.041 10.991 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.531 -1.444 10.184 1.00 0.87 H new ATOM 676 N PHE A 382 -5.975 -0.235 9.283 1.00 0.10 N ATOM 677 CA PHE A 382 -5.163 0.910 8.971 1.00 0.10 C ATOM 678 C PHE A 382 -6.040 2.059 8.514 1.00 0.09 C ATOM 679 O PHE A 382 -7.189 1.841 8.150 1.00 0.11 O ATOM 680 CB PHE A 382 -4.239 0.500 7.846 1.00 0.16 C ATOM 681 CG PHE A 382 -3.325 -0.621 8.201 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.175 -0.364 8.924 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.603 -1.919 7.819 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.322 -1.376 9.262 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.746 -2.940 8.156 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.665 -2.727 8.840 1.00 0.10 C ATOM 0 H PHE A 382 -6.367 -0.703 8.466 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.601 1.237 9.846 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.838 0.209 6.983 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.643 1.362 7.545 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.948 0.648 9.225 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.498 -2.133 7.253 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.421 -1.180 9.825 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -2.979 -3.947 7.843 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.018 -3.553 9.097 1.00 0.10 H new ATOM 696 N TYR A 383 -5.512 3.272 8.536 1.00 0.08 N ATOM 697 CA TYR A 383 -6.253 4.430 8.043 1.00 0.09 C ATOM 698 C TYR A 383 -5.322 5.444 7.449 1.00 0.09 C ATOM 699 O TYR A 383 -4.286 5.745 8.037 1.00 0.11 O ATOM 700 CB TYR A 383 -7.053 5.140 9.130 1.00 0.12 C ATOM 701 CG TYR A 383 -8.033 4.271 9.884 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.245 3.914 9.309 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.756 3.810 11.162 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.150 3.121 9.984 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.656 3.018 11.845 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.819 2.673 11.291 1.00 0.54 C ATOM 707 OH TYR A 383 -10.751 1.885 11.927 1.00 0.69 O ATOM 0 H TYR A 383 -4.578 3.484 8.887 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.941 4.032 7.297 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.355 5.576 9.845 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.600 5.965 8.675 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.484 4.263 8.315 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.820 4.075 11.631 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.090 2.847 9.529 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.416 2.673 12.840 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.418 1.636 12.814 1.00 0.69 H new ATOM 717 N VAL A 384 -5.701 6.009 6.322 1.00 0.09 N ATOM 718 CA VAL A 384 -4.891 7.037 5.725 1.00 0.10 C ATOM 719 C VAL A 384 -5.015 8.331 6.514 1.00 0.11 C ATOM 720 O VAL A 384 -6.116 8.827 6.770 1.00 0.13 O ATOM 721 CB VAL A 384 -5.216 7.257 4.224 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.662 6.957 3.925 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.890 8.670 3.796 1.00 0.14 C ATOM 0 H VAL A 384 -6.552 5.775 5.811 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.855 6.700 5.766 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.593 6.565 3.658 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.856 7.121 2.865 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.878 5.919 4.177 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.300 7.614 4.517 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.128 8.794 2.740 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.478 9.374 4.386 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.829 8.862 3.954 1.00 0.14 H new ATOM 733 N TRP A 385 -3.877 8.851 6.935 1.00 0.12 N ATOM 734 CA TRP A 385 -3.859 10.065 7.717 1.00 0.14 C ATOM 735 C TRP A 385 -3.301 11.228 6.938 1.00 0.16 C ATOM 736 O TRP A 385 -3.152 12.328 7.460 1.00 0.19 O ATOM 737 CB TRP A 385 -3.068 9.894 8.989 1.00 0.16 C ATOM 738 CG TRP A 385 -1.729 9.283 8.779 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.452 7.960 8.699 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.490 9.969 8.629 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.101 7.773 8.519 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.512 8.998 8.475 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.134 11.314 8.612 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.854 9.335 8.311 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.186 11.649 8.449 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.172 10.666 8.300 1.00 0.17 C ATOM 0 H TRP A 385 -2.958 8.451 6.747 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.897 10.279 7.970 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -2.944 10.867 9.463 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.637 9.273 9.680 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.184 7.168 8.767 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.367 6.871 8.433 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.885 12.082 8.725 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.613 8.576 8.197 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.470 12.691 8.435 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.202 10.964 8.174 1.00 0.17 H new ATOM 757 N ASN A 386 -3.008 10.979 5.686 1.00 0.16 N ATOM 758 CA ASN A 386 -2.558 12.028 4.795 1.00 0.21 C ATOM 759 C ASN A 386 -2.633 11.584 3.349 1.00 0.20 C ATOM 760 O ASN A 386 -2.518 10.405 3.039 1.00 0.18 O ATOM 761 CB ASN A 386 -1.138 12.479 5.124 1.00 0.24 C ATOM 762 CG ASN A 386 -0.797 13.759 4.408 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.237 13.620 3.229 1.00 0.41 O flip ATOM 764 ND2 ASN A 386 -1.039 14.856 4.910 1.00 0.31 N flip ATOM 0 H ASN A 386 -3.072 10.056 5.256 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.228 12.876 4.940 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -1.039 12.623 6.200 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.431 11.700 4.840 1.00 0.24 H new ATOM 0 HD21 ASN A 386 -1.476 14.911 5.830 1.00 0.31 H new ATOM 0 HD22 ASN A 386 -0.803 15.711 4.406 1.00 0.31 H new ATOM 771 N LYS A 387 -2.866 12.535 2.481 1.00 0.22 N ATOM 772 CA LYS A 387 -2.752 12.322 1.063 1.00 0.22 C ATOM 773 C LYS A 387 -1.523 13.015 0.544 1.00 0.19 C ATOM 774 O LYS A 387 -1.434 14.244 0.526 1.00 0.24 O ATOM 775 CB LYS A 387 -3.961 12.846 0.350 1.00 0.32 C ATOM 776 CG LYS A 387 -5.127 11.926 0.349 1.00 1.09 C ATOM 777 CD LYS A 387 -6.372 12.764 0.368 1.00 0.96 C ATOM 778 CE LYS A 387 -6.354 13.796 -0.729 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.677 13.966 -1.381 1.00 0.67 N1+ ATOM 0 H LYS A 387 -3.141 13.482 2.740 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.675 11.250 0.879 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.259 13.788 0.811 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.690 13.068 -0.682 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -5.109 11.288 -0.534 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -5.096 11.268 1.218 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.246 12.123 0.253 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.465 13.259 1.335 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -6.032 14.752 -0.317 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.618 13.508 -1.480 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.606 14.687 -2.127 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.976 13.062 -1.800 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.377 14.268 -0.673 1.00 0.67 H new ATOM 793 N GLU A 388 -0.578 12.225 0.157 1.00 0.18 N ATOM 794 CA GLU A 388 0.658 12.713 -0.363 1.00 0.18 C ATOM 795 C GLU A 388 0.793 12.393 -1.818 1.00 0.23 C ATOM 796 O GLU A 388 0.680 11.271 -2.252 1.00 0.38 O ATOM 797 CB GLU A 388 1.793 12.137 0.440 1.00 0.16 C ATOM 798 CG GLU A 388 2.492 13.197 1.234 1.00 0.16 C ATOM 799 CD GLU A 388 3.545 12.648 2.173 1.00 0.20 C ATOM 800 OE1 GLU A 388 4.697 12.457 1.731 1.00 0.32 O ATOM 801 OE2 GLU A 388 3.224 12.403 3.353 1.00 0.32 O1- ATOM 0 H GLU A 388 -0.642 11.208 0.193 1.00 0.18 H new ATOM 0 HA GLU A 388 0.683 13.799 -0.277 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.412 11.368 1.112 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.504 11.652 -0.228 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.960 13.905 0.549 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.754 13.753 1.812 1.00 0.16 H new ATOM 808 N GLU A 389 0.982 13.422 -2.568 1.00 0.17 N ATOM 809 CA GLU A 389 1.141 13.316 -3.972 1.00 0.19 C ATOM 810 C GLU A 389 2.477 13.855 -4.379 1.00 0.21 C ATOM 811 O GLU A 389 2.986 14.838 -3.835 1.00 0.26 O ATOM 812 CB GLU A 389 0.041 14.073 -4.650 1.00 0.21 C ATOM 813 CG GLU A 389 -1.310 13.467 -4.447 1.00 0.30 C ATOM 814 CD GLU A 389 -2.400 14.199 -5.200 1.00 1.06 C ATOM 815 OE1 GLU A 389 -2.570 13.953 -6.413 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.091 15.036 -4.583 1.00 1.18 O ATOM 0 H GLU A 389 1.031 14.377 -2.214 1.00 0.17 H new ATOM 0 HA GLU A 389 1.090 12.268 -4.269 1.00 0.19 H new ATOM 0 HB2 GLU A 389 0.031 15.097 -4.277 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.251 14.125 -5.718 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.288 12.426 -4.769 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.547 13.467 -3.383 1.00 0.30 H new ATOM 823 N ASP A 390 3.007 13.161 -5.372 1.00 0.20 N ATOM 824 CA ASP A 390 4.346 13.380 -5.898 1.00 0.19 C ATOM 825 C ASP A 390 5.334 13.302 -4.755 1.00 0.21 C ATOM 826 O ASP A 390 6.446 13.818 -4.811 1.00 0.40 O ATOM 827 CB ASP A 390 4.436 14.713 -6.620 1.00 0.24 C ATOM 828 CG ASP A 390 5.759 14.914 -7.338 1.00 0.26 C ATOM 829 OD1 ASP A 390 6.150 14.034 -8.133 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.425 15.946 -7.093 1.00 0.36 O ATOM 0 H ASP A 390 2.506 12.410 -5.847 1.00 0.20 H new ATOM 0 HA ASP A 390 4.583 12.609 -6.631 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.623 14.784 -7.343 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.294 15.519 -5.901 1.00 0.24 H new ATOM 835 N ALA A 391 4.910 12.563 -3.753 1.00 0.15 N ATOM 836 CA ALA A 391 5.535 12.544 -2.466 1.00 0.16 C ATOM 837 C ALA A 391 6.711 11.611 -2.421 1.00 0.15 C ATOM 838 O ALA A 391 6.921 10.777 -3.299 1.00 0.16 O ATOM 839 CB ALA A 391 4.500 12.139 -1.436 1.00 0.16 C ATOM 0 H ALA A 391 4.100 11.946 -3.821 1.00 0.15 H new ATOM 0 HA ALA A 391 5.919 13.541 -2.250 1.00 0.16 H new ATOM 0 HB1 ALA A 391 4.959 12.119 -0.447 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.681 12.858 -1.441 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.115 11.148 -1.677 1.00 0.16 H new ATOM 845 N THR A 392 7.458 11.760 -1.368 1.00 0.16 N ATOM 846 CA THR A 392 8.662 11.010 -1.179 1.00 0.17 C ATOM 847 C THR A 392 8.593 10.236 0.109 1.00 0.16 C ATOM 848 O THR A 392 8.605 10.786 1.213 1.00 0.18 O ATOM 849 CB THR A 392 9.913 11.894 -1.199 1.00 0.20 C ATOM 850 OG1 THR A 392 10.225 12.274 -2.549 1.00 0.27 O ATOM 851 CG2 THR A 392 11.096 11.160 -0.576 1.00 0.22 C ATOM 0 H THR A 392 7.247 12.410 -0.611 1.00 0.16 H new ATOM 0 HA THR A 392 8.745 10.318 -2.017 1.00 0.17 H new ATOM 0 HB THR A 392 9.714 12.791 -0.613 1.00 0.20 H new ATOM 0 HG1 THR A 392 11.025 12.840 -2.553 1.00 0.27 H new ATOM 0 HG21 THR A 392 11.976 11.803 -0.599 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.861 10.902 0.457 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.297 10.249 -1.140 1.00 0.22 H new ATOM 859 N LEU A 393 8.443 8.963 -0.077 1.00 0.15 N ATOM 860 CA LEU A 393 8.450 7.995 0.968 1.00 0.16 C ATOM 861 C LEU A 393 9.837 7.752 1.441 1.00 0.17 C ATOM 862 O LEU A 393 10.796 8.019 0.736 1.00 0.18 O ATOM 863 CB LEU A 393 7.876 6.734 0.409 1.00 0.16 C ATOM 864 CG LEU A 393 6.369 6.735 0.273 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.890 7.877 -0.607 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.913 5.419 -0.290 1.00 0.24 C ATOM 0 H LEU A 393 8.307 8.555 -1.002 1.00 0.15 H new ATOM 0 HA LEU A 393 7.864 8.348 1.817 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.316 6.553 -0.572 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.170 5.902 1.049 1.00 0.16 H new ATOM 0 HG LEU A 393 5.937 6.878 1.263 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.803 7.847 -0.683 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.197 8.827 -0.170 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.326 7.778 -1.601 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.827 5.421 -0.387 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.365 5.266 -1.270 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.216 4.613 0.378 1.00 0.24 H new ATOM 878 N LYS A 394 9.923 7.284 2.649 1.00 0.20 N ATOM 879 CA LYS A 394 11.142 7.050 3.298 1.00 0.24 C ATOM 880 C LYS A 394 10.938 5.945 4.278 1.00 0.30 C ATOM 881 O LYS A 394 9.799 5.600 4.594 1.00 0.38 O ATOM 882 CB LYS A 394 11.543 8.283 4.013 1.00 0.29 C ATOM 883 CG LYS A 394 12.395 9.085 3.143 1.00 0.29 C ATOM 884 CD LYS A 394 11.969 10.497 3.097 1.00 0.61 C ATOM 885 CE LYS A 394 12.383 11.211 4.356 1.00 0.52 C ATOM 886 NZ LYS A 394 12.180 12.681 4.273 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.107 7.052 3.216 1.00 0.20 H new ATOM 0 HA LYS A 394 11.919 6.777 2.584 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.660 8.853 4.304 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.075 8.029 4.930 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.426 9.029 3.494 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.378 8.669 2.136 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.411 10.989 2.230 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.887 10.553 2.978 1.00 0.61 H new ATOM 0 HE2 LYS A 394 11.813 10.816 5.197 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.434 11.004 4.558 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.481 13.124 5.165 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.744 13.066 3.488 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.173 12.884 4.108 1.00 0.67 H new ATOM 900 N GLY A 395 12.002 5.422 4.799 1.00 0.32 N ATOM 901 CA GLY A 395 11.854 4.246 5.600 1.00 0.39 C ATOM 902 C GLY A 395 13.140 3.725 6.121 1.00 0.44 C ATOM 903 O GLY A 395 14.187 4.048 5.606 1.00 0.81 O ATOM 0 H GLY A 395 12.953 5.774 4.691 1.00 0.32 H new ATOM 0 HA2 GLY A 395 11.193 4.467 6.438 1.00 0.39 H new ATOM 0 HA3 GLY A 395 11.369 3.470 5.008 1.00 0.39 H new ATOM 907 N THR A 396 13.057 2.851 7.078 1.00 0.58 N ATOM 908 CA THR A 396 14.221 2.251 7.625 1.00 0.57 C ATOM 909 C THR A 396 14.499 0.948 6.966 1.00 0.60 C ATOM 910 O THR A 396 13.662 0.049 6.876 1.00 0.71 O ATOM 911 CB THR A 396 14.148 2.106 9.130 1.00 0.67 C ATOM 912 OG1 THR A 396 12.796 1.908 9.568 1.00 0.79 O ATOM 913 CG2 THR A 396 14.742 3.351 9.733 1.00 0.68 C ATOM 0 H THR A 396 12.180 2.539 7.496 1.00 0.58 H new ATOM 0 HA THR A 396 15.055 2.923 7.423 1.00 0.57 H new ATOM 0 HB THR A 396 14.707 1.228 9.453 1.00 0.67 H new ATOM 0 HG1 THR A 396 12.778 1.816 10.543 1.00 0.79 H new ATOM 0 HG21 THR A 396 14.706 3.282 10.820 1.00 0.68 H new ATOM 0 HG22 THR A 396 15.778 3.453 9.410 1.00 0.68 H new ATOM 0 HG23 THR A 396 14.173 4.221 9.406 1.00 0.68 H new ATOM 921 N ASN A 397 15.682 0.941 6.433 1.00 0.55 N ATOM 922 CA ASN A 397 16.286 -0.221 5.802 1.00 0.62 C ATOM 923 C ASN A 397 16.229 -1.450 6.687 1.00 0.69 C ATOM 924 O ASN A 397 15.731 -1.395 7.811 1.00 0.70 O ATOM 925 CB ASN A 397 17.743 -0.011 5.493 1.00 0.63 C ATOM 926 CG ASN A 397 18.029 0.706 4.195 1.00 0.70 C ATOM 927 OD1 ASN A 397 17.149 1.583 3.800 1.00 1.12 O flip ATOM 928 ND2 ASN A 397 19.049 0.465 3.551 1.00 0.50 N flip ATOM 0 H ASN A 397 16.284 1.765 6.418 1.00 0.55 H new ATOM 0 HA ASN A 397 15.707 -0.365 4.890 1.00 0.62 H new ATOM 0 HB2 ASN A 397 18.193 0.555 6.309 1.00 0.63 H new ATOM 0 HB3 ASN A 397 18.236 -0.983 5.469 1.00 0.63 H new ATOM 0 HD21 ASN A 397 19.715 -0.228 3.892 1.00 0.50 H new ATOM 0 HD22 ASN A 397 19.228 0.958 2.676 1.00 0.50 H new ATOM 935 N ASP A 398 16.779 -2.546 6.203 1.00 0.78 N ATOM 936 CA ASP A 398 16.917 -3.744 7.019 1.00 0.85 C ATOM 937 C ASP A 398 17.599 -3.436 8.355 1.00 0.78 C ATOM 938 O ASP A 398 17.420 -4.169 9.331 1.00 0.83 O ATOM 939 CB ASP A 398 17.721 -4.816 6.307 1.00 0.97 C ATOM 940 CG ASP A 398 17.229 -5.131 4.911 1.00 1.23 C ATOM 941 OD1 ASP A 398 16.057 -4.821 4.609 1.00 1.63 O1- ATOM 942 OD2 ASP A 398 18.008 -5.676 4.104 1.00 1.65 O ATOM 0 H ASP A 398 17.138 -2.636 5.252 1.00 0.78 H new ATOM 0 HA ASP A 398 15.906 -4.109 7.200 1.00 0.85 H new ATOM 0 HB2 ASP A 398 18.762 -4.497 6.251 1.00 0.97 H new ATOM 0 HB3 ASP A 398 17.699 -5.728 6.903 1.00 0.97 H new ATOM 947 N ASP A 399 18.346 -2.332 8.419 1.00 0.73 N ATOM 948 CA ASP A 399 19.154 -2.048 9.597 1.00 0.78 C ATOM 949 C ASP A 399 18.594 -0.902 10.393 1.00 0.74 C ATOM 950 O ASP A 399 18.727 -0.849 11.616 1.00 0.86 O ATOM 951 CB ASP A 399 20.563 -1.671 9.187 1.00 0.85 C ATOM 952 CG ASP A 399 20.632 -0.944 7.859 1.00 1.18 C ATOM 953 OD1 ASP A 399 19.778 -0.076 7.606 1.00 2.00 O1- ATOM 954 OD2 ASP A 399 21.534 -1.256 7.050 1.00 1.39 O ATOM 0 H ASP A 399 18.406 -1.632 7.679 1.00 0.73 H new ATOM 0 HA ASP A 399 19.151 -2.952 10.206 1.00 0.78 H new ATOM 0 HB2 ASP A 399 21.002 -1.041 9.961 1.00 0.85 H new ATOM 0 HB3 ASP A 399 21.170 -2.574 9.130 1.00 0.85 H new ATOM 959 N GLY A 400 17.954 -0.007 9.711 1.00 0.65 N ATOM 960 CA GLY A 400 17.541 1.207 10.351 1.00 0.65 C ATOM 961 C GLY A 400 18.213 2.406 9.740 1.00 0.61 C ATOM 962 O GLY A 400 18.607 3.347 10.434 1.00 0.66 O ATOM 0 H GLY A 400 17.707 -0.088 8.725 1.00 0.65 H new ATOM 0 HA2 GLY A 400 16.459 1.313 10.269 1.00 0.65 H new ATOM 0 HA3 GLY A 400 17.777 1.158 11.414 1.00 0.65 H new ATOM 966 N THR A 401 18.372 2.346 8.439 1.00 0.56 N ATOM 967 CA THR A 401 18.864 3.433 7.674 1.00 0.56 C ATOM 968 C THR A 401 17.776 3.826 6.745 1.00 0.50 C ATOM 969 O THR A 401 17.184 2.995 6.079 1.00 0.50 O ATOM 970 CB THR A 401 20.118 3.081 6.873 1.00 0.61 C ATOM 971 OG1 THR A 401 19.877 1.970 6.015 1.00 0.61 O ATOM 972 CG2 THR A 401 21.257 2.741 7.805 1.00 0.68 C ATOM 0 H THR A 401 18.154 1.517 7.885 1.00 0.56 H new ATOM 0 HA THR A 401 19.151 4.241 8.347 1.00 0.56 H new ATOM 0 HB THR A 401 20.382 3.950 6.269 1.00 0.61 H new ATOM 0 HG1 THR A 401 20.182 1.147 6.451 1.00 0.61 H new ATOM 0 HG21 THR A 401 22.143 2.492 7.221 1.00 0.68 H new ATOM 0 HG22 THR A 401 21.472 3.597 8.444 1.00 0.68 H new ATOM 0 HG23 THR A 401 20.979 1.888 8.423 1.00 0.68 H new ATOM 980 N PRO A 402 17.449 5.072 6.727 1.00 0.50 N ATOM 981 CA PRO A 402 16.364 5.554 5.950 1.00 0.46 C ATOM 982 C PRO A 402 16.650 5.514 4.464 1.00 0.45 C ATOM 983 O PRO A 402 17.780 5.679 4.000 1.00 0.56 O ATOM 984 CB PRO A 402 16.193 6.971 6.422 1.00 0.55 C ATOM 985 CG PRO A 402 16.976 7.061 7.665 1.00 0.81 C ATOM 986 CD PRO A 402 18.101 6.142 7.432 1.00 0.58 C ATOM 0 HA PRO A 402 15.472 4.941 6.078 1.00 0.46 H new ATOM 0 HB2 PRO A 402 16.554 7.680 5.677 1.00 0.55 H new ATOM 0 HB3 PRO A 402 15.143 7.203 6.600 1.00 0.55 H new ATOM 0 HG2 PRO A 402 17.321 8.079 7.849 1.00 0.81 H new ATOM 0 HG3 PRO A 402 16.387 6.762 8.532 1.00 0.81 H new ATOM 0 HD2 PRO A 402 18.892 6.602 6.840 1.00 0.58 H new ATOM 0 HD3 PRO A 402 18.555 5.804 8.363 1.00 0.58 H new ATOM 994 N TYR A 403 15.585 5.318 3.757 1.00 0.36 N ATOM 995 CA TYR A 403 15.578 5.200 2.317 1.00 0.34 C ATOM 996 C TYR A 403 14.534 6.154 1.801 1.00 0.29 C ATOM 997 O TYR A 403 13.997 6.921 2.574 1.00 0.29 O ATOM 998 CB TYR A 403 15.265 3.753 1.866 1.00 0.34 C ATOM 999 CG TYR A 403 13.862 3.246 2.197 1.00 0.31 C ATOM 1000 CD1 TYR A 403 12.739 3.709 1.510 1.00 0.29 C ATOM 1001 CD2 TYR A 403 13.658 2.309 3.207 1.00 0.37 C ATOM 1002 CE1 TYR A 403 11.477 3.241 1.820 1.00 0.28 C ATOM 1003 CE2 TYR A 403 12.400 1.844 3.517 1.00 0.38 C ATOM 1004 CZ TYR A 403 11.295 2.336 2.782 1.00 0.32 C ATOM 1005 OH TYR A 403 10.055 1.850 3.128 1.00 0.35 O ATOM 0 H TYR A 403 14.657 5.231 4.172 1.00 0.36 H new ATOM 0 HA TYR A 403 16.562 5.443 1.917 1.00 0.34 H new ATOM 0 HB2 TYR A 403 15.410 3.689 0.788 1.00 0.34 H new ATOM 0 HB3 TYR A 403 15.992 3.083 2.326 1.00 0.34 H new ATOM 0 HD1 TYR A 403 12.858 4.442 0.726 1.00 0.29 H new ATOM 0 HD2 TYR A 403 14.508 1.938 3.761 1.00 0.37 H new ATOM 0 HE1 TYR A 403 10.623 3.614 1.274 1.00 0.28 H new ATOM 0 HE2 TYR A 403 12.259 1.119 4.305 1.00 0.38 H new ATOM 0 HH TYR A 403 9.469 1.860 2.343 1.00 0.35 H new ATOM 1015 N GLU A 404 14.242 6.086 0.527 1.00 0.28 N ATOM 1016 CA GLU A 404 13.155 6.851 -0.059 1.00 0.24 C ATOM 1017 C GLU A 404 12.476 6.073 -1.159 1.00 0.24 C ATOM 1018 O GLU A 404 13.032 5.143 -1.739 1.00 0.31 O ATOM 1019 CB GLU A 404 13.621 8.166 -0.645 1.00 0.27 C ATOM 1020 CG GLU A 404 13.782 9.289 0.338 1.00 0.29 C ATOM 1021 CD GLU A 404 14.685 10.395 -0.161 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.330 11.047 -1.166 1.00 0.45 O ATOM 1023 OE2 GLU A 404 15.755 10.619 0.444 1.00 0.62 O1- ATOM 0 H GLU A 404 14.747 5.501 -0.139 1.00 0.28 H new ATOM 0 HA GLU A 404 12.461 7.049 0.758 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.576 8.003 -1.144 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.910 8.475 -1.411 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.801 9.706 0.567 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.185 8.892 1.270 1.00 0.29 H new ATOM 1030 N SER A 405 11.251 6.465 -1.401 1.00 0.20 N ATOM 1031 CA SER A 405 10.411 5.868 -2.380 1.00 0.20 C ATOM 1032 C SER A 405 9.577 6.960 -3.064 1.00 0.18 C ATOM 1033 O SER A 405 8.564 7.412 -2.526 1.00 0.23 O ATOM 1034 CB SER A 405 9.542 4.870 -1.648 1.00 0.26 C ATOM 1035 OG SER A 405 10.183 3.609 -1.534 1.00 1.33 O ATOM 0 H SER A 405 10.807 7.234 -0.900 1.00 0.20 H new ATOM 0 HA SER A 405 10.977 5.361 -3.161 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.306 5.251 -0.654 1.00 0.26 H new ATOM 0 HB3 SER A 405 8.596 4.752 -2.177 1.00 0.26 H new ATOM 0 HG SER A 405 9.838 3.003 -2.223 1.00 1.33 H new ATOM 1041 N PRO A 406 10.026 7.406 -4.245 1.00 0.18 N ATOM 1042 CA PRO A 406 9.392 8.470 -5.019 1.00 0.19 C ATOM 1043 C PRO A 406 8.042 8.066 -5.567 1.00 0.17 C ATOM 1044 O PRO A 406 7.927 7.332 -6.548 1.00 0.17 O ATOM 1045 CB PRO A 406 10.372 8.686 -6.162 1.00 0.20 C ATOM 1046 CG PRO A 406 10.981 7.362 -6.326 1.00 0.19 C ATOM 1047 CD PRO A 406 11.193 6.895 -4.930 1.00 0.18 C ATOM 0 HA PRO A 406 9.200 9.356 -4.413 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.867 9.014 -7.071 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.115 9.445 -5.919 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.328 6.687 -6.879 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.920 7.419 -6.876 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.254 5.808 -4.871 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.117 7.290 -4.507 1.00 0.18 H new ATOM 1055 N VAL A 407 7.037 8.603 -4.964 1.00 0.17 N ATOM 1056 CA VAL A 407 5.695 8.286 -5.265 1.00 0.17 C ATOM 1057 C VAL A 407 4.983 9.487 -5.845 1.00 0.19 C ATOM 1058 O VAL A 407 5.467 10.612 -5.810 1.00 0.30 O ATOM 1059 CB VAL A 407 5.082 7.796 -3.956 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.945 8.662 -3.474 1.00 0.15 C ATOM 1061 CG2 VAL A 407 4.693 6.353 -4.064 1.00 0.23 C ATOM 0 H VAL A 407 7.137 9.298 -4.224 1.00 0.17 H new ATOM 0 HA VAL A 407 5.608 7.512 -6.027 1.00 0.17 H new ATOM 0 HB VAL A 407 5.851 7.881 -3.189 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.553 8.260 -2.540 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.305 9.677 -3.310 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.154 8.675 -4.224 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.258 6.022 -3.121 1.00 0.23 H new ATOM 0 HG22 VAL A 407 3.962 6.232 -4.863 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.576 5.754 -4.286 1.00 0.23 H new ATOM 1071 N ASN A 408 3.881 9.187 -6.453 1.00 0.19 N ATOM 1072 CA ASN A 408 3.032 10.132 -7.114 1.00 0.21 C ATOM 1073 C ASN A 408 1.770 10.213 -6.320 1.00 0.19 C ATOM 1074 O ASN A 408 1.138 11.256 -6.194 1.00 0.26 O ATOM 1075 CB ASN A 408 2.761 9.556 -8.477 1.00 0.34 C ATOM 1076 CG ASN A 408 4.038 9.326 -9.208 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.593 8.167 -8.957 1.00 1.84 O flip ATOM 1078 ND2 ASN A 408 4.519 10.163 -9.972 1.00 1.01 N flip ATOM 0 H ASN A 408 3.529 8.231 -6.506 1.00 0.19 H new ATOM 0 HA ASN A 408 3.467 11.127 -7.202 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.216 8.617 -8.380 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.126 10.235 -9.046 1.00 0.34 H new ATOM 0 HD21 ASN A 408 4.038 11.049 -10.126 1.00 1.01 H new ATOM 0 HD22 ASN A 408 5.399 9.970 -10.451 1.00 1.01 H new ATOM 1085 N TYR A 409 1.439 9.067 -5.777 1.00 0.15 N ATOM 1086 CA TYR A 409 0.280 8.932 -4.913 1.00 0.15 C ATOM 1087 C TYR A 409 0.630 8.147 -3.672 1.00 0.14 C ATOM 1088 O TYR A 409 0.985 6.971 -3.738 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.883 8.273 -5.628 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.327 9.033 -6.848 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.811 10.322 -6.724 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.240 8.478 -8.114 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.204 11.043 -7.824 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.629 9.194 -9.227 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.111 10.478 -9.078 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.504 11.194 -10.186 1.00 0.41 O ATOM 0 H TYR A 409 1.960 8.201 -5.918 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.027 9.938 -4.627 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.598 7.262 -5.920 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.722 8.181 -4.938 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.881 10.770 -5.744 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.863 7.473 -8.231 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.584 12.047 -7.708 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.557 8.752 -10.210 1.00 0.34 H new ATOM 0 HH TYR A 409 -1.977 10.911 -10.962 1.00 0.41 H new ATOM 1106 N TRP A 410 0.531 8.825 -2.558 1.00 0.13 N ATOM 1107 CA TRP A 410 0.836 8.270 -1.259 1.00 0.11 C ATOM 1108 C TRP A 410 -0.343 8.408 -0.343 1.00 0.10 C ATOM 1109 O TRP A 410 -0.985 9.458 -0.275 1.00 0.12 O ATOM 1110 CB TRP A 410 2.023 9.011 -0.649 1.00 0.12 C ATOM 1111 CG TRP A 410 2.484 8.522 0.687 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.910 9.302 1.708 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.583 7.172 1.148 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.263 8.534 2.774 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.080 7.216 2.459 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.302 5.938 0.585 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.304 6.065 3.211 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.525 4.799 1.322 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.027 4.868 2.624 1.00 0.11 C ATOM 0 H TRP A 410 0.230 9.799 -2.525 1.00 0.13 H new ATOM 0 HA TRP A 410 1.077 7.214 -1.382 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.860 8.951 -1.345 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.760 10.065 -0.557 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.962 10.380 1.680 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.609 8.886 3.667 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.913 5.871 -0.420 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.683 6.120 4.221 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.308 3.834 0.887 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.199 3.955 3.175 1.00 0.11 H new ATOM 1130 N MET A 411 -0.623 7.348 0.356 1.00 0.09 N ATOM 1131 CA MET A 411 -1.622 7.382 1.375 1.00 0.10 C ATOM 1132 C MET A 411 -1.149 6.652 2.626 1.00 0.09 C ATOM 1133 O MET A 411 -1.427 5.466 2.804 1.00 0.10 O ATOM 1134 CB MET A 411 -2.879 6.772 0.828 1.00 0.12 C ATOM 1135 CG MET A 411 -3.915 7.803 0.446 1.00 0.14 C ATOM 1136 SD MET A 411 -4.819 7.318 -1.026 1.00 0.41 S ATOM 1137 CE MET A 411 -5.152 5.611 -0.628 1.00 0.13 C ATOM 0 H MET A 411 -0.168 6.443 0.235 1.00 0.09 H new ATOM 0 HA MET A 411 -1.818 8.414 1.667 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.634 6.170 -0.047 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.303 6.097 1.572 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.612 7.942 1.272 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.428 8.763 0.275 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.585 5.113 -1.496 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.222 5.114 -0.350 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.853 5.562 0.205 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.406 7.349 3.496 1.00 0.09 N ATOM 1148 CA PRO A 412 0.151 6.764 4.723 1.00 0.09 C ATOM 1149 C PRO A 412 -0.916 6.474 5.755 1.00 0.09 C ATOM 1150 O PRO A 412 -1.880 7.221 5.916 1.00 0.09 O ATOM 1151 CB PRO A 412 1.076 7.871 5.229 1.00 0.10 C ATOM 1152 CG PRO A 412 0.446 9.117 4.739 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.040 8.775 3.364 1.00 0.11 C ATOM 0 HA PRO A 412 0.643 5.809 4.540 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.151 7.863 6.316 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.087 7.755 4.839 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.376 9.427 5.385 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.160 9.940 4.714 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.893 9.387 3.072 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.734 8.927 2.611 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.731 5.346 6.417 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.693 4.809 7.355 1.00 0.10 C ATOM 1163 C ILE A 413 -1.061 4.590 8.721 1.00 0.14 C ATOM 1164 O ILE A 413 -1.753 4.373 9.716 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.225 3.482 6.827 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.109 2.425 6.817 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.770 3.725 5.440 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.415 1.204 5.981 1.00 0.11 C ATOM 0 H ILE A 413 0.105 4.771 6.315 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.507 5.526 7.463 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.018 3.100 7.470 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.193 2.885 6.446 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.915 2.109 7.842 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.159 2.792 5.033 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.571 4.462 5.488 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.973 4.097 4.796 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.576 0.510 6.030 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.312 0.716 6.364 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.579 1.504 4.946 1.00 0.11 H new ATOM 1180 N ASP A 414 0.266 4.590 8.738 1.00 0.15 N ATOM 1181 CA ASP A 414 1.023 4.487 9.980 1.00 0.22 C ATOM 1182 C ASP A 414 2.161 5.503 9.963 1.00 0.21 C ATOM 1183 O ASP A 414 2.530 5.993 8.895 1.00 0.22 O ATOM 1184 CB ASP A 414 1.569 3.068 10.162 1.00 0.31 C ATOM 1185 CG ASP A 414 2.132 2.828 11.548 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.329 3.091 11.765 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 1.378 2.366 12.425 1.00 1.59 O ATOM 0 H ASP A 414 0.844 4.661 7.900 1.00 0.15 H new ATOM 0 HA ASP A 414 0.364 4.702 10.821 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.772 2.350 9.969 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.348 2.886 9.422 1.00 0.31 H new ATOM 1192 N TRP A 415 2.731 5.801 11.123 1.00 0.24 N ATOM 1193 CA TRP A 415 3.810 6.779 11.219 1.00 0.25 C ATOM 1194 C TRP A 415 5.189 6.127 11.147 1.00 0.27 C ATOM 1195 O TRP A 415 6.198 6.767 11.442 1.00 0.31 O ATOM 1196 CB TRP A 415 3.678 7.615 12.486 1.00 0.28 C ATOM 1197 CG TRP A 415 2.666 8.710 12.358 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.920 10.040 12.206 1.00 0.30 C ATOM 1199 CD2 TRP A 415 1.242 8.569 12.344 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.741 10.740 12.123 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.697 9.858 12.204 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.373 7.481 12.446 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -0.675 10.081 12.162 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -0.988 7.713 12.398 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.498 9.002 12.260 1.00 0.27 C ATOM 0 H TRP A 415 2.465 5.379 12.013 1.00 0.24 H new ATOM 0 HA TRP A 415 3.717 7.438 10.356 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.400 6.966 13.316 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.647 8.050 12.731 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.905 10.480 12.158 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.657 11.751 12.018 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.757 6.478 12.560 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.074 11.079 12.055 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -1.670 6.879 12.469 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.568 9.148 12.230 1.00 0.27 H new ATOM 1216 N THR A 416 5.247 4.871 10.747 1.00 0.27 N ATOM 1217 CA THR A 416 6.527 4.223 10.526 1.00 0.32 C ATOM 1218 C THR A 416 6.891 4.428 9.083 1.00 0.30 C ATOM 1219 O THR A 416 8.060 4.484 8.695 1.00 0.35 O ATOM 1220 CB THR A 416 6.472 2.719 10.826 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.242 2.171 10.334 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.594 2.457 12.317 1.00 0.44 C ATOM 0 H THR A 416 4.432 4.284 10.570 1.00 0.27 H new ATOM 0 HA THR A 416 7.267 4.658 11.198 1.00 0.32 H new ATOM 0 HB THR A 416 7.312 2.238 10.325 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.553 2.237 11.028 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.552 1.384 12.502 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.544 2.851 12.679 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.774 2.948 12.841 1.00 0.44 H new ATOM 1230 N GLY A 417 5.843 4.591 8.308 1.00 0.24 N ATOM 1231 CA GLY A 417 5.979 4.865 6.917 1.00 0.24 C ATOM 1232 C GLY A 417 5.254 3.869 6.068 1.00 0.19 C ATOM 1233 O GLY A 417 5.645 3.595 4.936 1.00 0.20 O ATOM 0 H GLY A 417 4.878 4.535 8.635 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.597 5.864 6.707 1.00 0.24 H new ATOM 0 HA3 GLY A 417 7.036 4.865 6.651 1.00 0.24 H new ATOM 1237 N VAL A 418 4.184 3.325 6.612 1.00 0.15 N ATOM 1238 CA VAL A 418 3.382 2.395 5.867 1.00 0.11 C ATOM 1239 C VAL A 418 2.124 3.056 5.356 1.00 0.09 C ATOM 1240 O VAL A 418 1.576 3.965 5.986 1.00 0.09 O ATOM 1241 CB VAL A 418 3.029 1.137 6.687 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.088 0.225 5.921 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.297 0.395 7.017 1.00 0.17 C ATOM 0 H VAL A 418 3.857 3.513 7.560 1.00 0.15 H new ATOM 0 HA VAL A 418 3.983 2.073 5.017 1.00 0.11 H new ATOM 0 HB VAL A 418 2.524 1.448 7.602 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.859 -0.652 6.526 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.166 0.761 5.695 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.563 -0.089 4.991 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.057 -0.496 7.597 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.798 0.103 6.094 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.955 1.040 7.599 1.00 0.17 H new ATOM 1253 N GLY A 419 1.687 2.592 4.208 1.00 0.10 N ATOM 1254 CA GLY A 419 0.507 3.130 3.578 1.00 0.08 C ATOM 1255 C GLY A 419 0.292 2.528 2.214 1.00 0.08 C ATOM 1256 O GLY A 419 0.926 1.529 1.872 1.00 0.09 O ATOM 0 H GLY A 419 2.136 1.837 3.689 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.363 2.936 4.205 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.601 4.212 3.490 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.579 3.135 1.430 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.792 2.702 0.080 1.00 0.09 C ATOM 1262 C ILE A 420 -0.092 3.670 -0.858 1.00 0.07 C ATOM 1263 O ILE A 420 -0.131 4.881 -0.640 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.299 2.636 -0.240 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.732 1.201 -0.489 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.631 3.461 -1.445 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.919 0.365 0.754 1.00 0.11 C ATOM 0 H ILE A 420 -1.148 3.932 1.715 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.381 1.701 -0.050 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.833 3.034 0.623 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.669 1.212 -1.046 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.989 0.719 -1.125 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.700 3.396 -1.647 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.359 4.500 -1.260 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -2.076 3.088 -2.306 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.228 -0.642 0.472 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.979 0.316 1.304 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.685 0.817 1.384 1.00 0.11 H new ATOM 1279 N HIS A 421 0.557 3.157 -1.881 1.00 0.07 N ATOM 1280 CA HIS A 421 1.235 4.030 -2.821 1.00 0.07 C ATOM 1281 C HIS A 421 1.308 3.430 -4.198 1.00 0.09 C ATOM 1282 O HIS A 421 1.122 2.238 -4.390 1.00 0.11 O ATOM 1283 CB HIS A 421 2.657 4.342 -2.390 1.00 0.09 C ATOM 1284 CG HIS A 421 3.556 3.163 -2.285 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.141 2.576 -3.372 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.020 2.511 -1.200 1.00 0.13 C ATOM 1287 CE1 HIS A 421 4.953 1.608 -2.924 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.912 1.526 -1.609 1.00 0.15 N ATOM 0 H HIS A 421 0.631 2.160 -2.083 1.00 0.07 H new ATOM 0 HA HIS A 421 0.640 4.943 -2.839 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.089 5.047 -3.100 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.625 4.843 -1.422 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.743 2.720 -0.177 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.561 0.978 -3.557 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.427 0.876 -1.015 1.00 0.15 H new ATOM 1296 N ASP A 422 1.623 4.291 -5.143 1.00 0.11 N ATOM 1297 CA ASP A 422 1.879 3.911 -6.491 1.00 0.14 C ATOM 1298 C ASP A 422 3.355 3.626 -6.619 1.00 0.19 C ATOM 1299 O ASP A 422 4.172 4.237 -5.941 1.00 0.29 O ATOM 1300 CB ASP A 422 1.473 5.054 -7.409 1.00 0.20 C ATOM 1301 CG ASP A 422 2.631 5.916 -7.864 1.00 0.31 C ATOM 1302 OD1 ASP A 422 3.037 6.814 -7.097 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.130 5.712 -8.989 1.00 0.42 O ATOM 0 H ASP A 422 1.707 5.294 -4.978 1.00 0.11 H new ATOM 0 HA ASP A 422 1.310 3.023 -6.768 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.973 4.643 -8.286 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.747 5.681 -6.892 1.00 0.20 H new ATOM 1308 N SER A 423 3.706 2.689 -7.440 1.00 0.15 N ATOM 1309 CA SER A 423 5.094 2.378 -7.614 1.00 0.19 C ATOM 1310 C SER A 423 5.402 2.105 -9.035 1.00 0.15 C ATOM 1311 O SER A 423 5.127 1.044 -9.588 1.00 0.16 O ATOM 1312 CB SER A 423 5.470 1.186 -6.770 1.00 0.26 C ATOM 1313 OG SER A 423 6.125 1.613 -5.602 1.00 1.48 O ATOM 0 H SER A 423 3.061 2.129 -7.997 1.00 0.15 H new ATOM 0 HA SER A 423 5.677 3.242 -7.295 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.577 0.618 -6.509 1.00 0.26 H new ATOM 0 HB3 SER A 423 6.118 0.518 -7.337 1.00 0.26 H new ATOM 0 HG SER A 423 7.041 1.882 -5.821 1.00 1.48 H new ATOM 1319 N ASP A 424 5.993 3.112 -9.601 1.00 0.13 N ATOM 1320 CA ASP A 424 6.443 3.071 -10.956 1.00 0.13 C ATOM 1321 C ASP A 424 7.901 2.631 -11.001 1.00 0.12 C ATOM 1322 O ASP A 424 8.378 2.074 -11.988 1.00 0.15 O ATOM 1323 CB ASP A 424 6.213 4.433 -11.561 1.00 0.15 C ATOM 1324 CG ASP A 424 6.796 4.582 -12.951 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.108 4.209 -13.926 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.934 5.082 -13.078 1.00 0.35 O1- ATOM 0 H ASP A 424 6.178 3.996 -9.128 1.00 0.13 H new ATOM 0 HA ASP A 424 5.887 2.341 -11.544 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.141 4.627 -11.602 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.649 5.190 -10.909 1.00 0.15 H new ATOM 1331 N TRP A 425 8.602 2.922 -9.890 1.00 0.12 N ATOM 1332 CA TRP A 425 9.986 2.486 -9.681 1.00 0.14 C ATOM 1333 C TRP A 425 10.022 0.996 -9.464 1.00 0.15 C ATOM 1334 O TRP A 425 11.037 0.337 -9.670 1.00 0.18 O ATOM 1335 CB TRP A 425 10.579 3.181 -8.451 1.00 0.14 C ATOM 1336 CG TRP A 425 10.168 2.637 -7.116 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.637 1.536 -6.477 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.235 3.235 -6.242 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.055 1.427 -5.235 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.189 2.468 -5.069 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.442 4.353 -6.348 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.371 2.806 -3.999 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.635 4.693 -5.303 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.601 3.931 -4.130 1.00 0.15 C ATOM 0 H TRP A 425 8.221 3.466 -9.115 1.00 0.12 H new ATOM 0 HA TRP A 425 10.571 2.747 -10.563 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.666 3.131 -8.521 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.306 4.235 -8.489 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.361 0.846 -6.884 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.240 0.691 -4.553 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.458 4.953 -7.246 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.343 2.207 -3.101 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.009 5.569 -5.382 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.959 4.234 -3.317 1.00 0.15 H new ATOM 1355 N GLN A 426 8.907 0.504 -8.974 1.00 0.15 N ATOM 1356 CA GLN A 426 8.748 -0.893 -8.620 1.00 0.17 C ATOM 1357 C GLN A 426 7.645 -1.485 -9.431 1.00 0.18 C ATOM 1358 O GLN A 426 6.515 -1.663 -8.985 1.00 0.28 O ATOM 1359 CB GLN A 426 8.396 -0.964 -7.182 1.00 0.18 C ATOM 1360 CG GLN A 426 9.489 -1.521 -6.293 1.00 0.58 C ATOM 1361 CD GLN A 426 9.171 -2.897 -5.744 1.00 0.63 C ATOM 1362 OE1 GLN A 426 9.605 -3.242 -4.655 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.420 -3.700 -6.485 1.00 0.22 N ATOM 0 H GLN A 426 8.073 1.067 -8.807 1.00 0.15 H new ATOM 0 HA GLN A 426 9.669 -1.444 -8.814 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.138 0.036 -6.835 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.504 -1.581 -7.069 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.419 -1.569 -6.859 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.657 -0.836 -5.462 1.00 0.58 H new ATOM 0 HE21 GLN A 426 8.073 -3.382 -7.390 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.189 -4.635 -6.150 1.00 0.22 H new ATOM 1372 N PRO A 427 8.029 -1.814 -10.632 1.00 0.16 N ATOM 1373 CA PRO A 427 7.151 -2.059 -11.741 1.00 0.18 C ATOM 1374 C PRO A 427 6.543 -3.442 -11.750 1.00 0.16 C ATOM 1375 O PRO A 427 5.869 -3.824 -12.708 1.00 0.18 O ATOM 1376 CB PRO A 427 8.106 -1.884 -12.901 1.00 0.23 C ATOM 1377 CG PRO A 427 9.339 -2.474 -12.384 1.00 0.23 C ATOM 1378 CD PRO A 427 9.420 -1.935 -11.018 1.00 0.19 C ATOM 0 HA PRO A 427 6.278 -1.406 -11.741 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.755 -2.396 -13.797 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.237 -0.834 -13.164 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.296 -3.563 -12.386 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.204 -2.188 -12.982 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.967 -2.603 -10.352 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.931 -0.972 -10.994 1.00 0.19 H new ATOM 1386 N GLU A 428 6.803 -4.187 -10.698 1.00 0.14 N ATOM 1387 CA GLU A 428 6.260 -5.513 -10.569 1.00 0.14 C ATOM 1388 C GLU A 428 5.322 -5.559 -9.383 1.00 0.12 C ATOM 1389 O GLU A 428 5.512 -4.839 -8.412 1.00 0.15 O ATOM 1390 CB GLU A 428 7.368 -6.523 -10.376 1.00 0.17 C ATOM 1391 CG GLU A 428 7.126 -7.831 -11.059 1.00 0.22 C ATOM 1392 CD GLU A 428 8.393 -8.465 -11.583 1.00 0.64 C ATOM 1393 OE1 GLU A 428 9.165 -9.017 -10.773 1.00 0.98 O ATOM 1394 OE2 GLU A 428 8.621 -8.425 -12.809 1.00 1.10 O1- ATOM 0 H GLU A 428 7.390 -3.891 -9.918 1.00 0.14 H new ATOM 0 HA GLU A 428 5.716 -5.760 -11.481 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.301 -6.099 -10.747 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.501 -6.701 -9.309 1.00 0.17 H new ATOM 0 HG2 GLU A 428 6.645 -8.516 -10.361 1.00 0.22 H new ATOM 0 HG3 GLU A 428 6.432 -7.680 -11.886 1.00 0.22 H new ATOM 1401 N TYR A 429 4.332 -6.419 -9.493 1.00 0.11 N ATOM 1402 CA TYR A 429 3.232 -6.539 -8.547 1.00 0.10 C ATOM 1403 C TYR A 429 2.591 -7.886 -8.741 1.00 0.10 C ATOM 1404 O TYR A 429 2.221 -8.249 -9.860 1.00 0.14 O ATOM 1405 CB TYR A 429 2.144 -5.533 -8.822 1.00 0.13 C ATOM 1406 CG TYR A 429 2.562 -4.288 -9.560 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.545 -4.244 -10.942 1.00 0.23 C ATOM 1408 CD2 TYR A 429 2.963 -3.161 -8.866 1.00 0.19 C ATOM 1409 CE1 TYR A 429 2.920 -3.108 -11.622 1.00 0.29 C ATOM 1410 CE2 TYR A 429 3.338 -2.012 -9.535 1.00 0.25 C ATOM 1411 CZ TYR A 429 3.316 -1.993 -10.917 1.00 0.30 C ATOM 1412 OH TYR A 429 3.682 -0.855 -11.597 1.00 0.38 O ATOM 0 H TYR A 429 4.264 -7.078 -10.268 1.00 0.11 H new ATOM 0 HA TYR A 429 3.640 -6.388 -7.548 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.359 -6.025 -9.397 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.703 -5.236 -7.870 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.232 -5.116 -11.497 1.00 0.23 H new ATOM 0 HD2 TYR A 429 2.983 -3.179 -7.786 1.00 0.19 H new ATOM 0 HE1 TYR A 429 2.904 -3.091 -12.702 1.00 0.29 H new ATOM 0 HE2 TYR A 429 3.646 -1.136 -8.983 1.00 0.25 H new ATOM 0 HH TYR A 429 4.301 -0.330 -11.047 1.00 0.38 H new ATOM 1422 N GLY A 430 2.489 -8.639 -7.690 1.00 0.10 N ATOM 1423 CA GLY A 430 1.914 -9.947 -7.812 1.00 0.12 C ATOM 1424 C GLY A 430 2.534 -10.895 -6.837 1.00 0.13 C ATOM 1425 O GLY A 430 3.281 -10.451 -5.970 1.00 0.13 O ATOM 0 H GLY A 430 2.790 -8.379 -6.751 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.839 -9.894 -7.640 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.056 -10.318 -8.827 1.00 0.12 H new ATOM 1429 N GLY A 431 2.278 -12.195 -7.037 1.00 0.16 N ATOM 1430 CA GLY A 431 2.880 -13.261 -6.237 1.00 0.20 C ATOM 1431 C GLY A 431 4.259 -12.912 -5.722 1.00 0.17 C ATOM 1432 O GLY A 431 5.012 -12.220 -6.409 1.00 0.16 O ATOM 0 H GLY A 431 1.645 -12.534 -7.761 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.229 -13.484 -5.392 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.943 -14.167 -6.839 1.00 0.20 H new ATOM 1436 N ASP A 432 4.658 -13.520 -4.613 1.00 0.18 N ATOM 1437 CA ASP A 432 5.516 -12.842 -3.653 1.00 0.18 C ATOM 1438 C ASP A 432 6.775 -12.336 -4.277 1.00 0.18 C ATOM 1439 O ASP A 432 7.756 -13.043 -4.518 1.00 0.19 O ATOM 1440 CB ASP A 432 5.890 -13.789 -2.524 1.00 0.22 C ATOM 1441 CG ASP A 432 4.713 -14.560 -1.965 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.308 -15.558 -2.591 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.189 -14.171 -0.900 1.00 0.33 O1- ATOM 0 H ASP A 432 4.403 -14.474 -4.358 1.00 0.18 H new ATOM 0 HA ASP A 432 4.950 -11.992 -3.273 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.637 -14.495 -2.886 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.354 -13.217 -1.720 1.00 0.22 H new ATOM 1448 N LEU A 433 6.683 -11.056 -4.503 1.00 0.16 N ATOM 1449 CA LEU A 433 7.737 -10.248 -5.007 1.00 0.15 C ATOM 1450 C LEU A 433 8.403 -9.574 -3.851 1.00 0.14 C ATOM 1451 O LEU A 433 9.595 -9.310 -3.895 1.00 0.15 O ATOM 1452 CB LEU A 433 7.108 -9.270 -5.955 1.00 0.14 C ATOM 1453 CG LEU A 433 6.727 -9.888 -7.284 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.791 -8.977 -8.039 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.976 -10.189 -8.086 1.00 0.18 C ATOM 0 H LEU A 433 5.826 -10.530 -4.330 1.00 0.16 H new ATOM 0 HA LEU A 433 8.501 -10.818 -5.537 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.218 -8.845 -5.491 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.800 -8.447 -6.130 1.00 0.14 H new ATOM 0 HG LEU A 433 6.201 -10.826 -7.108 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.527 -9.436 -8.992 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.887 -8.815 -7.451 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.282 -8.021 -8.220 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.697 -10.633 -9.041 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.526 -9.265 -8.263 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.605 -10.886 -7.532 1.00 0.18 H new ATOM 1467 N TRP A 434 7.620 -9.285 -2.831 1.00 0.14 N ATOM 1468 CA TRP A 434 8.099 -8.527 -1.690 1.00 0.14 C ATOM 1469 C TRP A 434 9.446 -9.032 -1.214 1.00 0.17 C ATOM 1470 O TRP A 434 10.352 -8.247 -0.930 1.00 0.22 O ATOM 1471 CB TRP A 434 7.065 -8.522 -0.557 1.00 0.15 C ATOM 1472 CG TRP A 434 6.505 -9.866 -0.167 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.678 -10.656 -0.905 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.678 -10.545 1.085 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.360 -11.794 -0.207 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.962 -11.746 1.016 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.380 -10.262 2.248 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.929 -12.654 2.067 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.346 -11.158 3.295 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.626 -12.344 3.197 1.00 0.19 C ATOM 0 H TRP A 434 6.641 -9.566 -2.768 1.00 0.14 H new ATOM 0 HA TRP A 434 8.238 -7.495 -2.013 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.523 -8.072 0.324 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.237 -7.877 -0.851 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.323 -10.421 -1.898 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.769 -12.553 -0.548 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.948 -9.347 2.332 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.370 -13.575 1.991 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.886 -10.936 4.204 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.619 -13.031 4.030 1.00 0.19 H new ATOM 1491 N LYS A 435 9.595 -10.352 -1.248 1.00 0.17 N ATOM 1492 CA LYS A 435 10.769 -11.018 -0.741 1.00 0.19 C ATOM 1493 C LYS A 435 12.029 -10.590 -1.439 1.00 0.20 C ATOM 1494 O LYS A 435 13.120 -10.654 -0.874 1.00 0.22 O ATOM 1495 CB LYS A 435 10.592 -12.484 -0.910 1.00 0.20 C ATOM 1496 CG LYS A 435 9.504 -12.978 -0.044 1.00 0.22 C ATOM 1497 CD LYS A 435 9.411 -14.453 -0.118 1.00 0.26 C ATOM 1498 CE LYS A 435 8.163 -14.880 0.556 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.333 -16.129 1.343 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.895 -10.986 -1.633 1.00 0.17 H new ATOM 0 HA LYS A 435 10.876 -10.747 0.309 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.367 -12.711 -1.952 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.521 -12.999 -0.665 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.683 -12.670 0.986 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.557 -12.532 -0.350 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.411 -14.781 -1.158 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.276 -14.912 0.361 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.821 -14.083 1.217 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.384 -15.030 -0.192 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.430 -16.382 1.793 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.633 -16.899 0.712 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.056 -15.982 2.076 1.00 0.64 H new ATOM 1513 N THR A 436 11.879 -10.152 -2.657 1.00 0.19 N ATOM 1514 CA THR A 436 13.012 -9.780 -3.454 1.00 0.21 C ATOM 1515 C THR A 436 13.012 -8.280 -3.690 1.00 0.19 C ATOM 1516 O THR A 436 14.055 -7.623 -3.682 1.00 0.23 O ATOM 1517 CB THR A 436 12.971 -10.525 -4.798 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.858 -10.077 -5.588 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.825 -12.010 -4.541 1.00 0.25 C ATOM 0 H THR A 436 10.977 -10.044 -3.121 1.00 0.19 H new ATOM 0 HA THR A 436 13.925 -10.053 -2.924 1.00 0.21 H new ATOM 0 HB THR A 436 13.896 -10.323 -5.339 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.095 -9.890 -5.002 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.795 -12.543 -5.492 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.673 -12.363 -3.954 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.901 -12.195 -3.992 1.00 0.25 H new ATOM 1527 N ARG A 437 11.812 -7.745 -3.845 1.00 0.16 N ATOM 1528 CA ARG A 437 11.635 -6.381 -4.302 1.00 0.15 C ATOM 1529 C ARG A 437 11.724 -5.372 -3.175 1.00 0.17 C ATOM 1530 O ARG A 437 11.930 -4.180 -3.401 1.00 0.20 O ATOM 1531 CB ARG A 437 10.302 -6.281 -4.991 1.00 0.14 C ATOM 1532 CG ARG A 437 10.126 -7.302 -6.064 1.00 0.15 C ATOM 1533 CD ARG A 437 9.397 -6.728 -7.248 1.00 0.17 C ATOM 1534 NE ARG A 437 10.163 -5.635 -7.857 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.718 -5.680 -9.072 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.538 -6.728 -9.861 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.458 -4.667 -9.501 1.00 0.36 N ATOM 0 H ARG A 437 10.941 -8.241 -3.659 1.00 0.16 H new ATOM 0 HA ARG A 437 12.445 -6.142 -4.991 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.508 -6.396 -4.253 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.195 -5.286 -5.422 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.101 -7.674 -6.379 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.572 -8.154 -5.671 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.223 -7.510 -7.987 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.419 -6.362 -6.935 1.00 0.17 H new ATOM 0 HE ARG A 437 10.280 -4.779 -7.314 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.970 -7.514 -9.544 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.967 -6.750 -10.786 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.604 -3.853 -8.904 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.881 -4.702 -10.428 1.00 0.36 H new ATOM 1551 N GLY A 438 11.614 -5.875 -1.967 1.00 0.16 N ATOM 1552 CA GLY A 438 12.112 -5.149 -0.815 1.00 0.17 C ATOM 1553 C GLY A 438 11.261 -3.979 -0.342 1.00 0.17 C ATOM 1554 O GLY A 438 11.810 -2.953 0.061 1.00 0.21 O ATOM 0 H GLY A 438 11.188 -6.777 -1.754 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.221 -5.851 0.012 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.109 -4.776 -1.049 1.00 0.17 H new ATOM 1558 N SER A 439 9.945 -4.132 -0.344 1.00 0.15 N ATOM 1559 CA SER A 439 9.050 -3.097 0.173 1.00 0.16 C ATOM 1560 C SER A 439 9.008 -3.173 1.702 1.00 0.14 C ATOM 1561 O SER A 439 8.829 -4.236 2.255 1.00 0.20 O ATOM 1562 CB SER A 439 7.659 -3.357 -0.378 1.00 0.22 C ATOM 1563 OG SER A 439 7.744 -3.904 -1.678 1.00 0.47 O ATOM 0 H SER A 439 9.469 -4.962 -0.697 1.00 0.15 H new ATOM 0 HA SER A 439 9.402 -2.110 -0.127 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.122 -4.042 0.278 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.090 -2.428 -0.403 1.00 0.22 H new ATOM 0 HG SER A 439 7.447 -3.239 -2.333 1.00 0.47 H new ATOM 1569 N HIS A 440 9.165 -2.057 2.384 1.00 0.14 N ATOM 1570 CA HIS A 440 9.306 -2.077 3.840 1.00 0.16 C ATOM 1571 C HIS A 440 7.992 -1.709 4.501 1.00 0.16 C ATOM 1572 O HIS A 440 7.868 -0.649 5.109 1.00 0.21 O ATOM 1573 CB HIS A 440 10.400 -1.111 4.310 1.00 0.22 C ATOM 1574 CG HIS A 440 11.768 -1.439 3.832 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.166 -1.265 2.533 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.852 -1.905 4.499 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.425 -1.608 2.416 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.868 -2.001 3.591 1.00 0.38 N ATOM 0 H HIS A 440 9.199 -1.128 1.965 1.00 0.14 H new ATOM 0 HA HIS A 440 9.591 -3.089 4.129 1.00 0.16 H new ATOM 0 HB2 HIS A 440 10.145 -0.105 3.976 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.406 -1.093 5.400 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.903 -2.153 5.549 1.00 0.30 H new ATOM 0 HE1 HIS A 440 14.004 -1.574 1.505 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.815 -2.324 3.791 1.00 0.38 H new ATOM 1587 N GLY A 441 7.014 -2.597 4.366 1.00 0.15 N ATOM 1588 CA GLY A 441 5.709 -2.360 4.932 1.00 0.16 C ATOM 1589 C GLY A 441 4.829 -1.618 3.962 1.00 0.15 C ATOM 1590 O GLY A 441 3.624 -1.519 4.146 1.00 0.18 O ATOM 0 H GLY A 441 7.108 -3.483 3.869 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.245 -3.310 5.196 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.807 -1.786 5.853 1.00 0.16 H new ATOM 1594 N CYS A 442 5.445 -1.114 2.914 1.00 0.14 N ATOM 1595 CA CYS A 442 4.747 -0.326 1.925 1.00 0.16 C ATOM 1596 C CYS A 442 4.215 -1.209 0.809 1.00 0.18 C ATOM 1597 O CYS A 442 4.855 -2.187 0.417 1.00 0.28 O ATOM 1598 CB CYS A 442 5.685 0.736 1.371 1.00 0.20 C ATOM 1599 SG CYS A 442 7.170 0.076 0.576 1.00 0.83 S ATOM 0 H CYS A 442 6.440 -1.239 2.725 1.00 0.14 H new ATOM 0 HA CYS A 442 3.894 0.162 2.396 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.140 1.344 0.649 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.986 1.398 2.183 1.00 0.20 H new ATOM 0 HG CYS A 442 7.900 1.058 0.137 1.00 0.83 H new ATOM 1605 N ILE A 443 3.037 -0.869 0.321 1.00 0.13 N ATOM 1606 CA ILE A 443 2.367 -1.650 -0.692 1.00 0.12 C ATOM 1607 C ILE A 443 2.535 -1.004 -2.053 1.00 0.12 C ATOM 1608 O ILE A 443 2.052 0.105 -2.290 1.00 0.15 O ATOM 1609 CB ILE A 443 0.869 -1.813 -0.359 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.677 -2.836 0.765 1.00 0.10 C ATOM 1611 CG2 ILE A 443 0.082 -2.229 -1.597 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.401 -2.530 2.055 1.00 0.10 C ATOM 0 H ILE A 443 2.520 -0.042 0.619 1.00 0.13 H new ATOM 0 HA ILE A 443 2.822 -2.640 -0.714 1.00 0.12 H new ATOM 0 HB ILE A 443 0.489 -0.849 -0.020 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.389 -2.920 0.978 1.00 0.10 H new ATOM 0 HG13 ILE A 443 1.008 -3.811 0.406 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -0.971 -2.338 -1.339 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.189 -1.467 -2.369 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.465 -3.179 -1.969 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.197 -3.316 2.782 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.473 -2.479 1.867 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.055 -1.574 2.448 1.00 0.10 H new ATOM 1624 N ASN A 444 3.239 -1.692 -2.934 1.00 0.14 N ATOM 1625 CA ASN A 444 3.490 -1.166 -4.267 1.00 0.16 C ATOM 1626 C ASN A 444 2.275 -1.347 -5.165 1.00 0.11 C ATOM 1627 O ASN A 444 2.134 -2.369 -5.832 1.00 0.12 O ATOM 1628 CB ASN A 444 4.707 -1.827 -4.924 1.00 0.30 C ATOM 1629 CG ASN A 444 5.998 -1.671 -4.131 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.353 -2.519 -3.333 1.00 1.56 O ATOM 1631 ND2 ASN A 444 6.719 -0.588 -4.344 1.00 1.77 N ATOM 0 H ASN A 444 3.645 -2.610 -2.754 1.00 0.14 H new ATOM 0 HA ASN A 444 3.697 -0.102 -4.147 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.502 -2.889 -5.060 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.848 -1.400 -5.917 1.00 0.30 H new ATOM 0 HD21 ASN A 444 7.592 -0.449 -3.836 1.00 1.77 H new ATOM 0 HD22 ASN A 444 6.404 0.110 -5.017 1.00 1.77 H new ATOM 1638 N THR A 445 1.402 -0.355 -5.176 1.00 0.11 N ATOM 1639 CA THR A 445 0.261 -0.338 -6.063 1.00 0.10 C ATOM 1640 C THR A 445 0.671 0.267 -7.386 1.00 0.11 C ATOM 1641 O THR A 445 1.428 1.231 -7.441 1.00 0.14 O ATOM 1642 CB THR A 445 -0.877 0.473 -5.419 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.142 -0.049 -4.115 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.137 0.421 -6.259 1.00 0.14 C ATOM 0 H THR A 445 1.468 0.461 -4.568 1.00 0.11 H new ATOM 0 HA THR A 445 -0.095 -1.353 -6.237 1.00 0.10 H new ATOM 0 HB THR A 445 -0.565 1.515 -5.351 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.082 0.106 -3.886 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.921 1.004 -5.776 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.933 0.835 -7.246 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.464 -0.614 -6.360 1.00 0.14 H new ATOM 1652 N PRO A 446 0.218 -0.340 -8.474 1.00 0.09 N ATOM 1653 CA PRO A 446 0.521 0.122 -9.812 1.00 0.08 C ATOM 1654 C PRO A 446 0.137 1.571 -9.993 1.00 0.09 C ATOM 1655 O PRO A 446 -0.941 1.979 -9.597 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.326 -0.761 -10.698 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.544 -1.989 -9.889 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.631 -1.529 -8.482 1.00 0.09 C ATOM 0 HA PRO A 446 1.586 0.064 -10.038 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.270 -0.280 -10.954 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.181 -0.987 -11.636 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.458 -2.501 -10.191 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.275 -2.696 -10.020 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.657 -1.295 -8.196 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.271 -2.287 -7.786 1.00 0.09 H new ATOM 1666 N PRO A 447 1.010 2.348 -10.616 1.00 0.09 N ATOM 1667 CA PRO A 447 0.868 3.807 -10.756 1.00 0.09 C ATOM 1668 C PRO A 447 -0.431 4.207 -11.391 1.00 0.09 C ATOM 1669 O PRO A 447 -1.015 5.246 -11.078 1.00 0.16 O ATOM 1670 CB PRO A 447 2.030 4.123 -11.681 1.00 0.10 C ATOM 1671 CG PRO A 447 3.031 3.140 -11.243 1.00 0.10 C ATOM 1672 CD PRO A 447 2.235 1.884 -11.270 1.00 0.09 C ATOM 0 HA PRO A 447 0.872 4.333 -9.801 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.764 3.998 -12.731 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.382 5.148 -11.562 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.888 3.098 -11.915 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.417 3.361 -10.248 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.056 1.525 -12.284 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.717 1.073 -10.725 1.00 0.09 H new ATOM 1680 N SER A 448 -0.888 3.357 -12.263 1.00 0.08 N ATOM 1681 CA SER A 448 -2.092 3.609 -12.985 1.00 0.09 C ATOM 1682 C SER A 448 -3.301 3.249 -12.129 1.00 0.09 C ATOM 1683 O SER A 448 -4.304 3.957 -12.120 1.00 0.11 O ATOM 1684 CB SER A 448 -2.085 2.814 -14.277 1.00 0.11 C ATOM 1685 OG SER A 448 -1.717 1.465 -14.030 1.00 1.17 O ATOM 0 H SER A 448 -0.435 2.472 -12.491 1.00 0.08 H new ATOM 0 HA SER A 448 -2.155 4.669 -13.230 1.00 0.09 H new ATOM 0 HB2 SER A 448 -3.072 2.849 -14.738 1.00 0.11 H new ATOM 0 HB3 SER A 448 -1.387 3.264 -14.984 1.00 0.11 H new ATOM 0 HG SER A 448 -1.719 0.966 -14.873 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.182 2.158 -11.378 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.267 1.700 -10.526 1.00 0.09 C ATOM 1693 C VAL A 449 -4.312 2.480 -9.215 1.00 0.10 C ATOM 1694 O VAL A 449 -5.373 2.671 -8.625 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.129 0.210 -10.221 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.276 -0.245 -9.335 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.086 -0.606 -11.502 1.00 0.10 C ATOM 0 H VAL A 449 -2.344 1.577 -11.344 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.196 1.872 -11.070 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.189 0.050 -9.692 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.171 -1.309 -9.122 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.259 0.316 -8.401 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.222 -0.069 -9.846 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.987 -1.663 -11.257 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -5.006 -0.448 -12.065 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.234 -0.292 -12.105 1.00 0.10 H new ATOM 1707 N MET A 450 -3.163 2.945 -8.769 1.00 0.10 N ATOM 1708 CA MET A 450 -3.064 3.731 -7.570 1.00 0.11 C ATOM 1709 C MET A 450 -3.773 5.061 -7.761 1.00 0.10 C ATOM 1710 O MET A 450 -4.125 5.737 -6.820 1.00 0.14 O ATOM 1711 CB MET A 450 -1.595 3.921 -7.285 1.00 0.13 C ATOM 1712 CG MET A 450 -1.340 4.631 -6.009 1.00 0.13 C ATOM 1713 SD MET A 450 -2.374 4.041 -4.680 1.00 0.46 S ATOM 1714 CE MET A 450 -2.455 5.548 -3.744 1.00 0.10 C ATOM 0 H MET A 450 -2.270 2.784 -9.235 1.00 0.10 H new ATOM 0 HA MET A 450 -3.543 3.234 -6.727 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.107 2.947 -7.256 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.141 4.481 -8.103 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.293 4.509 -5.732 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.510 5.698 -6.151 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.389 5.578 -3.184 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.615 5.592 -3.051 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.411 6.400 -4.422 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.955 5.408 -9.019 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.657 6.600 -9.444 1.00 0.11 C ATOM 1726 C LYS A 451 -6.145 6.407 -9.380 1.00 0.10 C ATOM 1727 O LYS A 451 -6.922 7.351 -9.289 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.246 6.823 -10.862 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.450 8.223 -11.323 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.458 8.605 -12.380 1.00 0.68 C ATOM 1731 CE LYS A 451 -3.196 7.439 -13.271 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.991 7.822 -14.691 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.607 4.849 -9.798 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.415 7.444 -8.799 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.194 6.561 -10.973 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.811 6.150 -11.507 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.461 8.334 -11.715 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.360 8.903 -10.476 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.840 9.442 -12.964 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.529 8.937 -11.917 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.314 6.908 -12.914 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -4.034 6.745 -13.206 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.814 6.969 -15.259 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.841 8.304 -15.047 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -2.174 8.462 -14.764 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.505 5.153 -9.475 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.866 4.714 -9.411 1.00 0.08 C ATOM 1748 C GLU A 452 -8.250 4.697 -7.987 1.00 0.07 C ATOM 1749 O GLU A 452 -9.309 5.143 -7.588 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.940 3.308 -9.959 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.296 3.153 -11.304 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.188 3.560 -12.457 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.617 4.732 -12.495 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.481 2.707 -13.325 1.00 0.38 O ATOM 0 H GLU A 452 -5.838 4.392 -9.602 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.525 5.367 -9.984 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.461 2.627 -9.255 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.986 3.009 -10.030 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.385 3.752 -11.332 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.998 2.113 -11.436 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.338 4.126 -7.249 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.401 4.066 -5.850 1.00 0.05 C ATOM 1763 C LEU A 453 -7.327 5.422 -5.223 1.00 0.05 C ATOM 1764 O LEU A 453 -8.261 5.857 -4.607 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.235 3.310 -5.332 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.341 2.965 -3.888 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.506 2.045 -3.683 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.056 2.351 -3.415 1.00 0.06 C ATOM 0 H LEU A 453 -6.508 3.679 -7.639 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.351 3.592 -5.602 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.123 2.392 -5.909 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.331 3.899 -5.491 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.512 3.866 -3.298 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.587 1.790 -2.626 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.422 2.539 -4.008 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.358 1.136 -4.265 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.140 2.101 -2.357 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.853 1.446 -3.987 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.240 3.060 -3.556 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.186 6.076 -5.340 1.00 0.07 N ATOM 1781 CA PHE A 454 -6.043 7.418 -4.811 1.00 0.08 C ATOM 1782 C PHE A 454 -7.219 8.252 -5.299 1.00 0.09 C ATOM 1783 O PHE A 454 -7.669 9.211 -4.673 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.739 8.066 -5.274 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.378 9.286 -4.483 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.710 9.180 -3.277 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.702 10.543 -4.958 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.374 10.308 -2.559 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.369 11.675 -4.250 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.716 11.528 -2.995 1.00 0.29 C ATOM 0 H PHE A 454 -5.352 5.703 -5.793 1.00 0.07 H new ATOM 0 HA PHE A 454 -6.023 7.367 -3.722 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.931 7.338 -5.198 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.827 8.335 -6.327 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.449 8.205 -2.894 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.224 10.638 -5.899 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.828 10.207 -1.633 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.599 12.656 -4.640 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.496 12.398 -2.394 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.702 7.816 -6.459 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.815 8.429 -7.111 1.00 0.11 C ATOM 1802 C GLY A 455 -10.128 8.183 -6.368 1.00 0.10 C ATOM 1803 O GLY A 455 -11.032 9.015 -6.416 1.00 0.13 O ATOM 0 H GLY A 455 -7.316 7.018 -6.964 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.641 9.502 -7.191 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.897 8.042 -8.127 1.00 0.11 H new ATOM 1807 N MET A 456 -10.240 7.025 -5.696 1.00 0.08 N ATOM 1808 CA MET A 456 -11.370 6.741 -4.810 1.00 0.09 C ATOM 1809 C MET A 456 -11.108 7.234 -3.399 1.00 0.10 C ATOM 1810 O MET A 456 -11.938 7.903 -2.782 1.00 0.13 O ATOM 1811 CB MET A 456 -11.651 5.237 -4.735 1.00 0.08 C ATOM 1812 CG MET A 456 -10.485 4.354 -5.040 1.00 0.06 C ATOM 1813 SD MET A 456 -10.957 2.691 -5.505 1.00 0.06 S ATOM 1814 CE MET A 456 -11.625 3.016 -7.112 1.00 0.07 C ATOM 0 H MET A 456 -9.556 6.271 -5.753 1.00 0.08 H new ATOM 0 HA MET A 456 -12.229 7.263 -5.231 1.00 0.09 H new ATOM 0 HB2 MET A 456 -12.012 5.001 -3.734 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.457 5.000 -5.429 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.903 4.798 -5.848 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.834 4.309 -4.167 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.923 2.077 -7.579 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.494 3.668 -7.020 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.870 3.504 -7.728 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.939 6.889 -2.905 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.611 7.035 -1.509 1.00 0.10 C ATOM 1826 C VAL A 457 -8.748 8.220 -1.207 1.00 0.17 C ATOM 1827 O VAL A 457 -7.787 8.555 -1.897 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.983 5.749 -0.951 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.082 5.106 -1.979 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.241 6.002 0.352 1.00 0.10 C ATOM 0 H VAL A 457 -9.185 6.496 -3.468 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.559 7.219 -1.004 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.794 5.056 -0.727 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.647 4.197 -1.564 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.663 4.858 -2.867 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.285 5.799 -2.249 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.812 5.068 0.714 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.444 6.726 0.182 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.935 6.394 1.096 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.152 8.819 -0.129 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.570 9.964 0.438 1.00 0.26 C ATOM 1842 C GLU A 458 -8.502 9.723 1.904 1.00 0.15 C ATOM 1843 O GLU A 458 -8.864 8.632 2.353 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.421 11.170 0.131 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.879 10.903 0.346 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.751 12.098 0.035 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -12.085 12.305 -1.150 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -12.106 12.838 0.977 1.00 0.83 O ATOM 0 H GLU A 458 -9.955 8.485 0.404 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.575 10.153 0.035 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -9.109 12.003 0.761 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.258 11.474 -0.903 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.185 10.064 -0.279 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -11.039 10.603 1.382 1.00 0.46 H new ATOM 1855 N LYS A 459 -8.021 10.678 2.658 1.00 0.19 N ATOM 1856 CA LYS A 459 -8.025 10.515 4.059 1.00 0.13 C ATOM 1857 C LYS A 459 -9.374 10.158 4.586 1.00 0.14 C ATOM 1858 O LYS A 459 -10.414 10.338 3.946 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.503 11.723 4.757 1.00 0.14 C ATOM 1860 CG LYS A 459 -6.040 11.812 4.680 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.608 12.985 5.447 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.713 14.205 4.607 1.00 0.20 C ATOM 1863 NZ LYS A 459 -5.094 15.399 5.242 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.631 11.557 2.318 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.356 9.680 4.267 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.944 12.616 4.315 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.810 11.699 5.802 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.583 10.907 5.081 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.719 11.898 3.642 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.224 13.094 6.340 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.580 12.852 5.783 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.233 14.021 3.646 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.764 14.411 4.404 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.197 16.220 4.612 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.567 15.596 6.147 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -4.084 15.217 5.412 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.328 9.662 5.778 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.527 9.240 6.420 1.00 0.19 C ATOM 1879 C GLY A 460 -10.820 7.782 6.186 1.00 0.19 C ATOM 1880 O GLY A 460 -11.405 7.115 7.039 1.00 0.37 O ATOM 0 H GLY A 460 -8.476 9.539 6.325 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.447 9.424 7.491 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.362 9.839 6.055 1.00 0.19 H new ATOM 1884 N THR A 461 -10.395 7.290 5.033 1.00 0.12 N ATOM 1885 CA THR A 461 -10.642 5.935 4.636 1.00 0.10 C ATOM 1886 C THR A 461 -9.632 5.029 5.308 1.00 0.09 C ATOM 1887 O THR A 461 -8.476 5.403 5.499 1.00 0.12 O ATOM 1888 CB THR A 461 -10.536 5.821 3.099 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.672 6.438 2.485 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.400 4.371 2.617 1.00 0.08 C ATOM 0 H THR A 461 -9.866 7.833 4.350 1.00 0.12 H new ATOM 0 HA THR A 461 -11.645 5.633 4.939 1.00 0.10 H new ATOM 0 HB THR A 461 -9.624 6.340 2.802 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.598 6.364 1.511 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.330 4.354 1.529 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.501 3.928 3.046 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.273 3.799 2.933 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.053 3.852 5.726 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.151 2.870 6.230 1.00 0.10 C ATOM 1900 C PRO A 462 -8.395 2.216 5.122 1.00 0.09 C ATOM 1901 O PRO A 462 -8.721 2.350 3.951 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.033 1.824 6.891 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.400 2.343 6.804 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.418 3.373 5.735 1.00 0.07 C ATOM 0 HA PRO A 462 -8.426 3.319 6.908 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.947 0.863 6.384 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.740 1.665 7.929 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.101 1.540 6.575 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.708 2.774 7.757 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.705 2.951 4.772 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.125 4.172 5.956 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.407 1.492 5.501 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.764 0.587 4.601 1.00 0.14 C ATOM 1914 C VAL A 463 -6.552 -0.698 5.338 1.00 0.12 C ATOM 1915 O VAL A 463 -6.542 -0.735 6.566 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.429 1.096 4.002 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.445 2.592 3.800 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.242 0.685 4.812 1.00 1.09 C ATOM 0 H VAL A 463 -7.015 1.505 6.443 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.415 0.466 3.735 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.333 0.620 3.026 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.492 2.912 3.378 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.252 2.858 3.117 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.603 3.087 4.758 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.334 1.068 4.347 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.332 1.089 5.820 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.194 -0.403 4.860 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.473 -1.747 4.605 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.266 -3.027 5.183 1.00 0.06 C ATOM 1930 C LEU A 464 -5.093 -3.691 4.574 1.00 0.06 C ATOM 1931 O LEU A 464 -4.797 -3.501 3.410 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.466 -3.867 4.909 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.005 -4.621 6.084 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.404 -3.643 7.173 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.167 -5.455 5.618 1.00 0.13 C ATOM 0 H LEU A 464 -6.550 -1.745 3.588 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.097 -2.909 6.253 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.256 -3.226 4.517 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.217 -4.581 4.124 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.250 -5.285 6.505 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.797 -4.192 8.029 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.532 -3.066 7.481 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.170 -2.968 6.793 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.575 -6.013 6.460 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -9.939 -4.805 5.205 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.830 -6.151 4.850 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.406 -4.405 5.402 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.466 -5.381 4.983 1.00 0.06 C ATOM 1949 C VAL A 465 -3.581 -6.519 5.971 1.00 0.08 C ATOM 1950 O VAL A 465 -3.904 -6.277 7.134 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.020 -4.837 4.879 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -1.974 -3.365 4.473 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.233 -5.066 6.117 1.00 0.07 C ATOM 0 H VAL A 465 -4.488 -4.321 6.415 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.690 -5.711 3.969 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.551 -5.412 4.081 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.937 -3.036 4.415 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.449 -3.241 3.500 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.504 -2.766 5.214 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.228 -4.665 5.988 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.719 -4.566 6.955 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.174 -6.136 6.318 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.395 -7.741 5.518 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.590 -8.898 6.380 1.00 0.14 C ATOM 1965 C PHE A 466 -2.821 -10.109 5.882 1.00 0.19 C ATOM 1966 O PHE A 466 -2.240 -10.824 6.725 1.00 1.16 O ATOM 1967 CB PHE A 466 -5.076 -9.220 6.520 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.817 -9.228 5.223 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.664 -10.254 4.304 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.673 -8.196 4.926 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.356 -10.240 3.115 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.368 -8.182 3.747 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.215 -9.201 2.837 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.805 -10.342 4.658 1.00 1.08 O ATOM 0 H PHE A 466 -3.111 -7.963 4.564 1.00 0.11 H new ATOM 0 HA PHE A 466 -3.195 -8.644 7.364 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.184 -10.195 6.995 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.535 -8.489 7.185 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -4.995 -11.073 4.523 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.799 -7.387 5.630 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.226 -11.041 2.403 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.041 -7.365 3.530 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.766 -9.186 1.908 1.00 0.19 H new TER 1984 PHE A 466