USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=33 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 -171:sc= -6.56! (180deg=-6.9!) USER MOD Set 1.2: A 450 MET CE :methyl 146:sc= -3.64 (180deg=-6.48!) USER MOD Set 2.1: A 426 GLN : amide:sc= -7.09! C(o=-18!,f=-21!) USER MOD Set 2.2: A 444 ASN : amide:sc= -10.7! C(o=-18!,f=-16!) USER MOD Set 3.1: A 421 HIS : no HD1:sc= -3.23! C(o=-3.8!,f=-9.3!) USER MOD Set 3.2: A 442 CYS SG : rot 180:sc= -0.547 USER MOD Set 4.1: A 370 SER OG : rot 50:sc= 0.465 USER MOD Set 4.2: A 377 THR OG1 : rot -118:sc= 1.24 USER MOD Set 5.1: A 374 THR OG1 : rot -162:sc= 1.45 USER MOD Set 5.2: A 375 THR OG1 : rot 63:sc= 0.22 USER MOD Set 5.3: A 440 HIS : no HD1:sc= -0.725 K(o=0.95,f=-0.63!) USER MOD Single : A 339 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-0.85) USER MOD Single : A 340 MET CE :methyl -162:sc= -0.388 (180deg=-1.18) USER MOD Single : A 343 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 344 TYR OH : rot 11:sc= 0.0621 USER MOD Single : A 351 ASN : amide:sc= 1.08 K(o=1.1,f=-0.00031) USER MOD Single : A 352 GLN : amide:sc= -9.6! C(o=-9.6!,f=-15!) USER MOD Single : A 353 HIS : no HE2:sc= -3.78! C(o=-3.8!,f=-4.2!) USER MOD Single : A 354 MET CE :methyl -179:sc= -6.03! (180deg=-6.18!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 45:sc= 0.027 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 80:sc= -1.94! USER MOD Single : A 372 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.16) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN : amide:sc= -2.26 K(o=-2.3,f=-0.57) 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+ 174:sc= -1.07 (180deg=-1.24) USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 ASN : amide:sc= -4.09! K(o=-4.1!,f=-1.3) USER MOD Single : A 401 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 403 TYR OH : rot 30:sc= -1.95! USER MOD Single : A 405 SER OG : rot -94:sc= 0.715 USER MOD Single : A 408 ASN : amide:sc= -0.897! K(o=-0.9!,f=-0.087) USER MOD Single : A 409 TYR OH : rot 130:sc= 0 USER MOD Single : A 416 THR OG1 : rot -91:sc= 1.28 USER MOD Single : A 423 SER OG : rot 78:sc= -2.21! USER MOD Single : A 429 TYR OH : rot 30:sc= -0.493 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -35:sc= 0.595 USER MOD Single : A 439 SER OG : rot -169:sc= 0.0165 USER MOD Single : A 445 THR OG1 : rot -151:sc= 1.13 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 179:sc= -4.61! (180deg=-4.73!) 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 -12.160 -14.392 7.327 1.00 3.94 N ATOM 2 CA GLY A 338 -13.127 -13.448 7.937 1.00 3.08 C ATOM 3 C GLY A 338 -12.549 -12.055 8.061 1.00 2.42 C ATOM 4 O GLY A 338 -11.342 -11.898 8.259 1.00 2.77 O ATOM 0 HA2 GLY A 338 -14.033 -13.413 7.332 1.00 3.08 H new ATOM 0 HA3 GLY A 338 -13.417 -13.811 8.923 1.00 3.08 H new ATOM 10 N HIS A 339 -13.399 -11.042 7.937 1.00 1.85 N ATOM 11 CA HIS A 339 -12.966 -9.655 8.048 1.00 1.24 C ATOM 12 C HIS A 339 -14.147 -8.716 8.149 1.00 1.07 C ATOM 13 O HIS A 339 -15.295 -9.143 8.276 1.00 1.60 O ATOM 14 CB HIS A 339 -12.079 -9.253 6.875 1.00 1.08 C ATOM 15 CG HIS A 339 -10.715 -8.805 7.301 1.00 0.56 C ATOM 16 ND1 HIS A 339 -9.569 -9.505 7.013 1.00 0.65 N ATOM 17 CD2 HIS A 339 -10.320 -7.720 8.007 1.00 1.00 C ATOM 18 CE1 HIS A 339 -8.531 -8.874 7.524 1.00 1.30 C ATOM 19 NE2 HIS A 339 -8.958 -7.786 8.133 1.00 1.60 N ATOM 0 H HIS A 339 -14.397 -11.157 7.759 1.00 1.85 H new ATOM 0 HA HIS A 339 -12.382 -9.576 8.965 1.00 1.24 H new ATOM 0 HB2 HIS A 339 -11.982 -10.098 6.194 1.00 1.08 H new ATOM 0 HB3 HIS A 339 -12.563 -8.450 6.319 1.00 1.08 H new ATOM 0 HD2 HIS A 339 -10.961 -6.944 8.399 1.00 1.00 H new ATOM 0 HE1 HIS A 339 -7.502 -9.195 7.455 1.00 1.30 H new ATOM 0 HE2 HIS A 339 -8.372 -7.106 8.617 1.00 1.60 H new ATOM 28 N MET A 340 -13.839 -7.442 8.105 1.00 0.83 N ATOM 29 CA MET A 340 -14.821 -6.388 8.209 1.00 0.69 C ATOM 30 C MET A 340 -15.712 -6.316 6.976 1.00 0.64 C ATOM 31 O MET A 340 -15.621 -7.138 6.062 1.00 0.83 O ATOM 32 CB MET A 340 -14.076 -5.077 8.407 1.00 0.61 C ATOM 33 CG MET A 340 -13.712 -4.780 9.835 1.00 0.72 C ATOM 34 SD MET A 340 -13.001 -3.140 10.044 1.00 1.03 S ATOM 35 CE MET A 340 -11.716 -3.222 8.808 1.00 0.58 C ATOM 0 H MET A 340 -12.884 -7.102 7.994 1.00 0.83 H new ATOM 0 HA MET A 340 -15.479 -6.590 9.054 1.00 0.69 H new ATOM 0 HB2 MET A 340 -13.165 -5.097 7.809 1.00 0.61 H new ATOM 0 HB3 MET A 340 -14.691 -4.262 8.024 1.00 0.61 H new ATOM 0 HG2 MET A 340 -14.602 -4.868 10.458 1.00 0.72 H new ATOM 0 HG3 MET A 340 -13.001 -5.527 10.187 1.00 0.72 H new ATOM 0 HE1 MET A 340 -10.977 -2.444 8.999 1.00 0.58 H new ATOM 0 HE2 MET A 340 -11.234 -4.199 8.849 1.00 0.58 H new ATOM 0 HE3 MET A 340 -12.152 -3.074 7.820 1.00 0.58 H new ATOM 45 N GLU A 341 -16.568 -5.320 6.972 1.00 0.56 N ATOM 46 CA GLU A 341 -17.481 -5.077 5.871 1.00 0.57 C ATOM 47 C GLU A 341 -17.525 -3.592 5.547 1.00 0.46 C ATOM 48 O GLU A 341 -18.201 -3.160 4.610 1.00 0.49 O ATOM 49 CB GLU A 341 -18.878 -5.562 6.212 1.00 0.73 C ATOM 50 CG GLU A 341 -19.466 -4.818 7.384 1.00 0.76 C ATOM 51 CD GLU A 341 -20.881 -5.243 7.699 1.00 0.97 C ATOM 52 OE1 GLU A 341 -21.065 -6.309 8.326 1.00 1.08 O1- ATOM 53 OE2 GLU A 341 -21.822 -4.518 7.312 1.00 1.10 O ATOM 0 H GLU A 341 -16.653 -4.650 7.736 1.00 0.56 H new ATOM 0 HA GLU A 341 -17.120 -5.629 5.003 1.00 0.57 H new ATOM 0 HB2 GLU A 341 -19.526 -5.440 5.344 1.00 0.73 H new ATOM 0 HB3 GLU A 341 -18.846 -6.628 6.439 1.00 0.73 H new ATOM 0 HG2 GLU A 341 -18.840 -4.979 8.261 1.00 0.76 H new ATOM 0 HG3 GLU A 341 -19.451 -3.749 7.174 1.00 0.76 H new ATOM 60 N ASP A 342 -16.817 -2.831 6.353 1.00 0.38 N ATOM 61 CA ASP A 342 -16.625 -1.401 6.135 1.00 0.32 C ATOM 62 C ASP A 342 -16.071 -1.090 4.771 1.00 0.25 C ATOM 63 O ASP A 342 -15.670 -1.963 3.997 1.00 0.27 O ATOM 64 CB ASP A 342 -15.662 -0.788 7.125 1.00 0.34 C ATOM 65 CG ASP A 342 -16.251 -0.589 8.502 1.00 0.62 C ATOM 66 OD1 ASP A 342 -16.280 -1.556 9.289 1.00 0.79 O ATOM 67 OD2 ASP A 342 -16.684 0.545 8.805 1.00 0.98 O1- ATOM 0 H ASP A 342 -16.351 -3.185 7.189 1.00 0.38 H new ATOM 0 HA ASP A 342 -17.624 -0.981 6.252 1.00 0.32 H new ATOM 0 HB2 ASP A 342 -14.782 -1.426 7.205 1.00 0.34 H new ATOM 0 HB3 ASP A 342 -15.324 0.175 6.741 1.00 0.34 H new ATOM 72 N THR A 343 -16.144 0.169 4.459 1.00 0.23 N ATOM 73 CA THR A 343 -15.522 0.683 3.292 1.00 0.19 C ATOM 74 C THR A 343 -14.139 1.192 3.658 1.00 0.13 C ATOM 75 O THR A 343 -13.978 2.046 4.534 1.00 0.16 O ATOM 76 CB THR A 343 -16.377 1.797 2.689 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.672 1.282 2.342 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.719 2.379 1.472 1.00 0.20 C ATOM 0 H THR A 343 -16.641 0.866 5.014 1.00 0.23 H new ATOM 0 HA THR A 343 -15.425 -0.103 2.543 1.00 0.19 H new ATOM 0 HB THR A 343 -16.486 2.587 3.432 1.00 0.24 H new ATOM 0 HG1 THR A 343 -18.217 2.000 1.957 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.347 3.170 1.062 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.748 2.792 1.746 1.00 0.20 H new ATOM 0 HG23 THR A 343 -15.583 1.598 0.724 1.00 0.20 H new ATOM 86 N TYR A 344 -13.165 0.650 2.965 1.00 0.10 N ATOM 87 CA TYR A 344 -11.769 0.881 3.232 1.00 0.07 C ATOM 88 C TYR A 344 -10.930 0.521 2.030 1.00 0.06 C ATOM 89 O TYR A 344 -11.441 0.278 0.948 1.00 0.08 O ATOM 90 CB TYR A 344 -11.288 0.023 4.392 1.00 0.08 C ATOM 91 CG TYR A 344 -11.802 -1.398 4.399 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.220 -2.381 3.616 1.00 0.14 C ATOM 93 CD2 TYR A 344 -12.864 -1.752 5.206 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.688 -3.677 3.634 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.337 -3.047 5.237 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.746 -4.008 4.448 1.00 0.25 C ATOM 97 OH TYR A 344 -13.211 -5.301 4.472 1.00 0.32 O ATOM 0 H TYR A 344 -13.329 0.020 2.180 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.662 1.939 3.473 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.198 -0.002 4.377 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.583 0.503 5.325 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.385 -2.127 2.980 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.333 -1.001 5.825 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.226 -4.429 3.012 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.167 -3.306 5.877 1.00 0.25 H new ATOM 0 HH TYR A 344 -12.582 -5.884 3.998 1.00 0.32 H new ATOM 107 N ILE A 345 -9.629 0.505 2.231 1.00 0.05 N ATOM 108 CA ILE A 345 -8.740 -0.091 1.268 1.00 0.05 C ATOM 109 C ILE A 345 -8.336 -1.462 1.781 1.00 0.05 C ATOM 110 O ILE A 345 -8.491 -1.720 2.963 1.00 0.08 O ATOM 111 CB ILE A 345 -7.479 0.748 1.023 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.808 2.222 0.963 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.853 0.316 -0.284 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.811 2.513 -0.095 1.00 0.07 C ATOM 0 H ILE A 345 -9.169 0.898 3.052 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.268 -0.156 0.317 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.785 0.590 1.849 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.191 2.550 1.929 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.899 2.791 0.771 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.955 0.905 -0.470 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.589 -0.740 -0.229 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.563 0.471 -1.096 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.024 3.582 -0.110 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.416 2.208 -1.064 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.729 1.963 0.113 1.00 0.07 H new ATOM 126 N GLU A 346 -7.833 -2.342 0.930 1.00 0.05 N ATOM 127 CA GLU A 346 -7.432 -3.667 1.394 1.00 0.05 C ATOM 128 C GLU A 346 -6.187 -4.135 0.703 1.00 0.05 C ATOM 129 O GLU A 346 -5.835 -3.657 -0.351 1.00 0.06 O ATOM 130 CB GLU A 346 -8.548 -4.674 1.169 1.00 0.06 C ATOM 131 CG GLU A 346 -8.759 -5.544 2.356 1.00 0.07 C ATOM 132 CD GLU A 346 -9.757 -6.667 2.144 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.483 -7.576 1.332 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.816 -6.659 2.813 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.693 -2.172 -0.066 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.227 -3.590 2.462 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.473 -4.145 0.938 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.310 -5.292 0.304 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.802 -5.976 2.649 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.098 -4.926 3.188 1.00 0.07 H new ATOM 141 N VAL A 347 -5.498 -5.021 1.372 1.00 0.05 N ATOM 142 CA VAL A 347 -4.258 -5.586 0.908 1.00 0.05 C ATOM 143 C VAL A 347 -4.107 -6.978 1.471 1.00 0.07 C ATOM 144 O VAL A 347 -4.453 -7.230 2.622 1.00 0.08 O ATOM 145 CB VAL A 347 -3.068 -4.759 1.399 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.771 -5.470 1.083 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.072 -3.376 0.802 1.00 0.06 C ATOM 0 H VAL A 347 -5.792 -5.380 2.280 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.276 -5.597 -0.182 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.158 -4.651 2.480 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.932 -4.871 1.437 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.758 -6.441 1.578 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.686 -5.611 0.005 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.213 -2.817 1.173 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.016 -3.448 -0.284 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.990 -2.860 1.085 1.00 0.06 H new ATOM 157 N ASP A 348 -3.571 -7.856 0.668 1.00 0.08 N ATOM 158 CA ASP A 348 -3.323 -9.221 1.082 1.00 0.11 C ATOM 159 C ASP A 348 -1.904 -9.594 0.731 1.00 0.15 C ATOM 160 O ASP A 348 -1.545 -9.724 -0.430 1.00 0.24 O ATOM 161 CB ASP A 348 -4.308 -10.138 0.367 1.00 0.14 C ATOM 162 CG ASP A 348 -4.121 -11.611 0.682 1.00 0.18 C ATOM 163 OD1 ASP A 348 -3.138 -12.209 0.198 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.933 -12.173 1.435 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.292 -7.652 -0.292 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.457 -9.323 2.159 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.323 -9.845 0.637 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -4.210 -9.992 -0.709 1.00 0.14 H new ATOM 169 N LEU A 349 -1.096 -9.681 1.783 1.00 0.13 N ATOM 170 CA LEU A 349 0.347 -9.828 1.676 1.00 0.14 C ATOM 171 C LEU A 349 0.699 -11.177 1.138 1.00 0.20 C ATOM 172 O LEU A 349 1.765 -11.362 0.565 1.00 0.32 O ATOM 173 CB LEU A 349 1.012 -9.692 3.038 1.00 0.16 C ATOM 174 CG LEU A 349 0.856 -8.371 3.755 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.948 -7.218 2.806 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.437 -8.314 4.502 1.00 0.12 C ATOM 0 H LEU A 349 -1.432 -9.651 2.746 1.00 0.13 H new ATOM 0 HA LEU A 349 0.699 -9.044 1.006 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.619 -10.476 3.685 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.078 -9.885 2.914 1.00 0.16 H new ATOM 0 HG LEU A 349 1.677 -8.294 4.468 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.831 -6.284 3.356 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.920 -7.230 2.312 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.160 -7.299 2.057 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.523 -7.353 5.008 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.266 -8.432 3.804 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.467 -9.116 5.239 1.00 0.12 H new ATOM 188 N GLU A 350 -0.124 -12.122 1.421 1.00 0.20 N ATOM 189 CA GLU A 350 0.039 -13.438 0.854 1.00 0.24 C ATOM 190 C GLU A 350 0.048 -13.382 -0.665 1.00 0.22 C ATOM 191 O GLU A 350 1.058 -13.663 -1.324 1.00 0.31 O ATOM 192 CB GLU A 350 -1.091 -14.306 1.312 1.00 0.31 C ATOM 193 CG GLU A 350 -0.880 -14.875 2.685 1.00 0.41 C ATOM 194 CD GLU A 350 -0.019 -16.122 2.673 1.00 0.84 C ATOM 195 OE1 GLU A 350 -0.484 -17.168 2.173 1.00 1.51 O ATOM 196 OE2 GLU A 350 1.123 -16.067 3.178 1.00 0.96 O1- ATOM 0 H GLU A 350 -0.925 -12.021 2.044 1.00 0.20 H new ATOM 0 HA GLU A 350 0.993 -13.847 1.186 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -2.013 -13.725 1.304 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -1.223 -15.123 0.603 1.00 0.31 H new ATOM 0 HG2 GLU A 350 -0.413 -14.121 3.319 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -1.847 -15.110 3.129 1.00 0.41 H new ATOM 203 N ASN A 351 -1.086 -12.958 -1.195 1.00 0.18 N ATOM 204 CA ASN A 351 -1.368 -13.048 -2.616 1.00 0.19 C ATOM 205 C ASN A 351 -0.893 -11.815 -3.333 1.00 0.21 C ATOM 206 O ASN A 351 -0.971 -11.693 -4.558 1.00 0.35 O ATOM 207 CB ASN A 351 -2.873 -13.239 -2.852 1.00 0.27 C ATOM 208 CG ASN A 351 -3.376 -14.572 -2.347 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.414 -15.564 -3.078 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.763 -14.604 -1.083 1.00 0.39 N ATOM 0 H ASN A 351 -1.840 -12.540 -0.649 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.833 -13.911 -3.013 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.419 -12.437 -2.356 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.083 -13.156 -3.918 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -4.110 -15.473 -0.678 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.715 -13.759 -0.513 1.00 0.39 H new ATOM 217 N GLN A 352 -0.398 -10.905 -2.492 1.00 0.12 N ATOM 218 CA GLN A 352 0.072 -9.589 -2.893 1.00 0.11 C ATOM 219 C GLN A 352 -0.943 -8.883 -3.762 1.00 0.11 C ATOM 220 O GLN A 352 -0.716 -8.628 -4.934 1.00 0.18 O ATOM 221 CB GLN A 352 1.413 -9.691 -3.588 1.00 0.18 C ATOM 222 CG GLN A 352 2.576 -9.996 -2.646 1.00 0.30 C ATOM 223 CD GLN A 352 2.742 -8.941 -1.567 1.00 1.41 C ATOM 224 OE1 GLN A 352 2.525 -7.772 -1.801 1.00 2.22 O ATOM 225 NE2 GLN A 352 3.093 -9.347 -0.366 1.00 1.92 N ATOM 0 H GLN A 352 -0.313 -11.073 -1.489 1.00 0.12 H new ATOM 0 HA GLN A 352 0.202 -8.989 -1.992 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.359 -10.471 -4.348 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.615 -8.754 -4.107 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.415 -10.967 -2.178 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.498 -10.069 -3.223 1.00 0.30 H new ATOM 0 HE21 GLN A 352 3.270 -10.337 -0.194 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.188 -8.672 0.393 1.00 1.92 H new ATOM 234 N HIS A 353 -2.044 -8.525 -3.148 1.00 0.07 N ATOM 235 CA HIS A 353 -3.157 -7.903 -3.855 1.00 0.07 C ATOM 236 C HIS A 353 -3.804 -6.858 -2.955 1.00 0.06 C ATOM 237 O HIS A 353 -4.117 -7.122 -1.807 1.00 0.07 O ATOM 238 CB HIS A 353 -4.189 -8.963 -4.226 1.00 0.08 C ATOM 239 CG HIS A 353 -5.090 -8.566 -5.359 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.880 -8.927 -6.672 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.229 -7.847 -5.358 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.856 -8.442 -7.420 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.692 -7.786 -6.644 1.00 0.13 N ATOM 0 H HIS A 353 -2.202 -8.652 -2.148 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.788 -7.427 -4.764 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.670 -9.883 -4.493 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.799 -9.184 -3.350 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -4.095 -9.481 -7.013 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.695 -7.397 -4.494 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.951 -8.564 -8.489 1.00 0.13 H new ATOM 252 N MET A 354 -3.956 -5.671 -3.484 1.00 0.05 N ATOM 253 CA MET A 354 -4.533 -4.556 -2.783 1.00 0.05 C ATOM 254 C MET A 354 -5.846 -4.147 -3.422 1.00 0.04 C ATOM 255 O MET A 354 -5.934 -3.950 -4.629 1.00 0.05 O ATOM 256 CB MET A 354 -3.537 -3.418 -2.825 1.00 0.05 C ATOM 257 CG MET A 354 -4.015 -2.192 -2.106 1.00 0.06 C ATOM 258 SD MET A 354 -3.715 -0.689 -3.013 1.00 0.06 S ATOM 259 CE MET A 354 -4.781 -1.057 -4.367 1.00 0.06 C ATOM 0 H MET A 354 -3.674 -5.449 -4.439 1.00 0.05 H new ATOM 0 HA MET A 354 -4.747 -4.828 -1.749 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.597 -3.749 -2.382 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.328 -3.164 -3.864 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.084 -2.285 -1.912 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.519 -2.130 -1.137 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.742 -0.244 -5.092 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.458 -1.983 -4.843 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.803 -1.172 -4.005 1.00 0.06 H new ATOM 269 N TRP A 355 -6.856 -4.038 -2.584 1.00 0.05 N ATOM 270 CA TRP A 355 -8.204 -3.733 -3.004 1.00 0.05 C ATOM 271 C TRP A 355 -8.649 -2.391 -2.513 1.00 0.05 C ATOM 272 O TRP A 355 -7.987 -1.774 -1.709 1.00 0.05 O ATOM 273 CB TRP A 355 -9.194 -4.736 -2.459 1.00 0.06 C ATOM 274 CG TRP A 355 -9.050 -6.099 -3.002 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.660 -6.589 -4.100 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.264 -7.149 -2.458 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.293 -7.886 -4.298 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.432 -8.265 -3.289 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.428 -7.248 -1.350 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.786 -9.478 -3.036 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.791 -8.437 -1.102 1.00 0.09 C ATOM 282 CH2 TRP A 355 -6.969 -9.544 -1.942 1.00 0.10 C ATOM 0 H TRP A 355 -6.760 -4.161 -1.576 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.183 -3.757 -4.094 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.089 -4.778 -1.375 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.203 -4.381 -2.668 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.340 -6.035 -4.730 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.604 -8.480 -5.067 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.283 -6.401 -0.695 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.927 -10.332 -3.681 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.141 -8.521 -0.244 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.452 -10.466 -1.721 1.00 0.10 H new ATOM 293 N TYR A 356 -9.806 -1.985 -2.971 1.00 0.06 N ATOM 294 CA TYR A 356 -10.520 -0.891 -2.364 1.00 0.06 C ATOM 295 C TYR A 356 -11.879 -1.412 -2.049 1.00 0.06 C ATOM 296 O TYR A 356 -12.611 -1.791 -2.929 1.00 0.07 O ATOM 297 CB TYR A 356 -10.592 0.316 -3.275 1.00 0.06 C ATOM 298 CG TYR A 356 -11.410 1.476 -2.688 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.776 1.365 -2.458 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.824 2.687 -2.397 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.517 2.419 -1.960 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.559 3.743 -1.903 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.903 3.606 -1.687 1.00 0.13 C ATOM 304 OH TYR A 356 -13.633 4.662 -1.191 1.00 0.20 O ATOM 0 H TYR A 356 -10.278 -2.402 -3.773 1.00 0.06 H new ATOM 0 HA TYR A 356 -10.006 -0.546 -1.467 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.581 0.664 -3.485 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.030 0.017 -4.227 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.271 0.430 -2.674 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.764 2.813 -2.560 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.577 2.304 -1.788 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.072 4.682 -1.686 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.042 5.431 -1.051 1.00 0.20 H new ATOM 314 N TYR A 357 -12.191 -1.505 -0.796 1.00 0.09 N ATOM 315 CA TYR A 357 -13.474 -2.013 -0.418 1.00 0.11 C ATOM 316 C TYR A 357 -14.424 -0.905 -0.110 1.00 0.12 C ATOM 317 O TYR A 357 -14.139 -0.014 0.665 1.00 0.14 O ATOM 318 CB TYR A 357 -13.414 -2.959 0.775 1.00 0.12 C ATOM 319 CG TYR A 357 -13.006 -4.359 0.423 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.707 -4.653 0.028 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.918 -5.386 0.495 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.338 -5.945 -0.290 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.563 -6.672 0.187 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.234 -6.935 -0.243 1.00 0.14 C ATOM 325 OH TYR A 357 -11.920 -8.247 -0.520 1.00 0.18 O ATOM 0 H TYR A 357 -11.582 -1.239 -0.022 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.829 -2.579 -1.279 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.712 -2.560 1.507 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.393 -2.986 1.254 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.976 -3.860 -0.031 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.932 -5.174 0.800 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.319 -6.157 -0.578 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.282 -7.474 0.269 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.079 -8.483 -0.075 1.00 0.18 H new ATOM 335 N LYS A 358 -15.554 -0.999 -0.725 1.00 0.12 N ATOM 336 CA LYS A 358 -16.643 -0.150 -0.494 1.00 0.14 C ATOM 337 C LYS A 358 -17.891 -0.931 -0.699 1.00 0.17 C ATOM 338 O LYS A 358 -17.992 -1.753 -1.609 1.00 0.19 O ATOM 339 CB LYS A 358 -16.596 1.024 -1.389 1.00 0.18 C ATOM 340 CG LYS A 358 -17.890 1.656 -1.495 1.00 0.24 C ATOM 341 CD LYS A 358 -17.692 3.103 -1.493 1.00 0.28 C ATOM 342 CE LYS A 358 -17.338 3.555 -2.863 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.702 4.972 -3.126 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.739 -1.708 -1.434 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.609 0.229 0.528 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.868 1.742 -1.012 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.257 0.716 -2.378 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.393 1.342 -2.410 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.528 1.358 -0.663 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.599 3.605 -1.156 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -16.900 3.372 -0.794 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.266 3.428 -3.015 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.840 2.917 -3.590 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -17.430 5.226 -4.097 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.728 5.094 -3.011 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.203 5.589 -2.454 1.00 0.47 H new ATOM 357 N ASP A 359 -18.813 -0.694 0.209 1.00 0.23 N ATOM 358 CA ASP A 359 -20.112 -1.317 0.181 1.00 0.30 C ATOM 359 C ASP A 359 -19.955 -2.766 0.524 1.00 0.27 C ATOM 360 O ASP A 359 -20.871 -3.576 0.400 1.00 0.33 O ATOM 361 CB ASP A 359 -20.740 -1.139 -1.187 1.00 0.34 C ATOM 362 CG ASP A 359 -22.234 -0.897 -1.125 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.643 0.245 -0.834 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -23.008 -1.848 -1.358 1.00 0.60 O ATOM 0 H ASP A 359 -18.677 -0.057 0.994 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.773 -0.850 0.911 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.262 -0.300 -1.694 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.546 -2.027 -1.788 1.00 0.34 H new ATOM 369 N GLY A 360 -18.756 -3.052 1.002 1.00 0.22 N ATOM 370 CA GLY A 360 -18.408 -4.372 1.412 1.00 0.21 C ATOM 371 C GLY A 360 -17.912 -5.204 0.258 1.00 0.19 C ATOM 372 O GLY A 360 -17.747 -6.417 0.347 1.00 0.23 O ATOM 0 H GLY A 360 -18.008 -2.367 1.111 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.638 -4.322 2.182 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.277 -4.854 1.861 1.00 0.21 H new ATOM 376 N LYS A 361 -17.660 -4.503 -0.806 1.00 0.16 N ATOM 377 CA LYS A 361 -17.331 -5.039 -2.089 1.00 0.17 C ATOM 378 C LYS A 361 -16.107 -4.287 -2.556 1.00 0.13 C ATOM 379 O LYS A 361 -15.749 -3.296 -1.933 1.00 0.15 O ATOM 380 CB LYS A 361 -18.559 -4.788 -2.956 1.00 0.22 C ATOM 381 CG LYS A 361 -18.299 -4.332 -4.361 1.00 0.32 C ATOM 382 CD LYS A 361 -18.469 -5.433 -5.375 1.00 0.55 C ATOM 383 CE LYS A 361 -17.812 -6.691 -4.912 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.795 -7.753 -5.951 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.680 -3.483 -0.800 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.099 -6.104 -2.109 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.142 -5.708 -2.997 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.179 -4.039 -2.463 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.977 -3.514 -4.603 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.285 -3.937 -4.428 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.530 -5.614 -5.546 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.040 -5.124 -6.328 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.788 -6.470 -4.610 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.332 -7.062 -4.029 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.327 -8.601 -5.573 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.771 -7.988 -6.223 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.275 -7.414 -6.785 1.00 0.68 H new ATOM 398 N VAL A 362 -15.436 -4.704 -3.602 1.00 0.10 N ATOM 399 CA VAL A 362 -14.293 -3.935 -3.992 1.00 0.09 C ATOM 400 C VAL A 362 -14.587 -3.051 -5.139 1.00 0.09 C ATOM 401 O VAL A 362 -15.263 -3.378 -6.115 1.00 0.11 O ATOM 402 CB VAL A 362 -12.991 -4.693 -4.258 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.716 -5.705 -3.191 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.944 -5.304 -5.623 1.00 0.52 C ATOM 0 H VAL A 362 -15.648 -5.526 -4.168 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.098 -3.356 -3.089 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.192 -3.952 -4.226 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.784 -6.224 -3.413 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.631 -5.203 -2.227 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.533 -6.426 -3.154 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -11.998 -5.828 -5.755 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.768 -6.009 -5.735 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.032 -4.520 -6.376 1.00 0.52 H new ATOM 414 N ALA A 363 -14.068 -1.907 -4.927 1.00 0.09 N ATOM 415 CA ALA A 363 -14.086 -0.834 -5.822 1.00 0.10 C ATOM 416 C ALA A 363 -12.867 -0.909 -6.678 1.00 0.10 C ATOM 417 O ALA A 363 -12.830 -0.428 -7.808 1.00 0.12 O ATOM 418 CB ALA A 363 -14.033 0.400 -4.991 1.00 0.11 C ATOM 0 H ALA A 363 -13.585 -1.685 -4.057 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.970 -0.845 -6.460 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.044 1.276 -5.639 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.897 0.429 -4.327 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.119 0.400 -4.397 1.00 0.11 H new ATOM 424 N LEU A 364 -11.860 -1.538 -6.107 1.00 0.08 N ATOM 425 CA LEU A 364 -10.578 -1.560 -6.709 1.00 0.07 C ATOM 426 C LEU A 364 -9.858 -2.816 -6.273 1.00 0.06 C ATOM 427 O LEU A 364 -10.160 -3.380 -5.224 1.00 0.08 O ATOM 428 CB LEU A 364 -9.787 -0.309 -6.349 1.00 0.06 C ATOM 429 CG LEU A 364 -8.829 0.101 -7.442 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.511 0.950 -8.479 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.630 0.828 -6.924 1.00 0.06 C ATOM 0 H LEU A 364 -11.924 -2.039 -5.221 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.681 -1.567 -7.794 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.478 0.510 -6.150 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.230 -0.487 -5.429 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.488 -0.829 -7.896 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.793 1.228 -9.251 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.329 0.387 -8.929 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.906 1.851 -8.009 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.979 1.096 -7.756 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.949 1.733 -6.406 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.086 0.186 -6.231 1.00 0.06 H new ATOM 443 N GLU A 365 -8.939 -3.255 -7.092 1.00 0.07 N ATOM 444 CA GLU A 365 -8.219 -4.504 -6.875 1.00 0.07 C ATOM 445 C GLU A 365 -7.012 -4.543 -7.755 1.00 0.07 C ATOM 446 O GLU A 365 -7.126 -4.447 -8.976 1.00 0.09 O ATOM 447 CB GLU A 365 -9.046 -5.735 -7.208 1.00 0.09 C ATOM 448 CG GLU A 365 -10.354 -5.426 -7.890 1.00 0.22 C ATOM 449 CD GLU A 365 -10.636 -6.344 -9.055 1.00 0.26 C ATOM 450 OE1 GLU A 365 -10.937 -7.533 -8.820 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.582 -5.881 -10.210 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.659 -2.759 -7.938 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.964 -4.527 -5.815 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.459 -6.392 -7.850 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.248 -6.285 -6.289 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.164 -5.506 -7.165 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.341 -4.394 -8.241 1.00 0.22 H new ATOM 458 N THR A 366 -5.865 -4.673 -7.158 1.00 0.06 N ATOM 459 CA THR A 366 -4.680 -4.841 -7.926 1.00 0.06 C ATOM 460 C THR A 366 -3.662 -5.684 -7.216 1.00 0.06 C ATOM 461 O THR A 366 -3.766 -5.974 -6.036 1.00 0.07 O ATOM 462 CB THR A 366 -4.111 -3.483 -8.302 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.886 -3.621 -9.009 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.914 -2.662 -7.061 1.00 0.07 C ATOM 0 H THR A 366 -5.730 -4.665 -6.147 1.00 0.06 H new ATOM 0 HA THR A 366 -4.942 -5.377 -8.838 1.00 0.06 H new ATOM 0 HB THR A 366 -4.817 -2.977 -8.960 1.00 0.07 H new ATOM 0 HG1 THR A 366 -3.072 -3.840 -9.946 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.506 -1.688 -7.330 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.872 -2.528 -6.558 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.221 -3.173 -6.393 1.00 0.07 H new ATOM 472 N ASP A 367 -2.701 -6.071 -7.982 1.00 0.07 N ATOM 473 CA ASP A 367 -1.581 -6.824 -7.553 1.00 0.10 C ATOM 474 C ASP A 367 -0.551 -5.864 -7.044 1.00 0.10 C ATOM 475 O ASP A 367 -0.398 -4.764 -7.577 1.00 0.11 O ATOM 476 CB ASP A 367 -1.069 -7.626 -8.738 1.00 0.15 C ATOM 477 CG ASP A 367 -1.003 -6.850 -10.052 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.030 -6.260 -10.463 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.047 -6.883 -10.717 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.678 -5.857 -8.979 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.833 -7.519 -6.752 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.073 -8.001 -8.503 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.712 -8.495 -8.877 1.00 0.15 H new ATOM 484 N ILE A 368 0.083 -6.247 -5.964 1.00 0.09 N ATOM 485 CA ILE A 368 1.029 -5.393 -5.292 1.00 0.09 C ATOM 486 C ILE A 368 2.229 -6.174 -4.795 1.00 0.09 C ATOM 487 O ILE A 368 2.393 -7.349 -5.100 1.00 0.11 O ATOM 488 CB ILE A 368 0.376 -4.670 -4.109 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.315 -5.678 -3.214 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.593 -3.609 -4.596 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.423 -5.928 -1.932 1.00 0.11 C ATOM 0 H ILE A 368 -0.042 -7.160 -5.526 1.00 0.09 H new ATOM 0 HA ILE A 368 1.365 -4.658 -6.024 1.00 0.09 H new ATOM 0 HB ILE A 368 1.148 -4.164 -3.529 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.320 -5.323 -2.985 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.424 -6.619 -3.753 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -1.045 -3.108 -3.740 1.00 0.08 H new ATOM 0 HG22 ILE A 368 -0.058 -2.878 -5.203 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.373 -4.077 -5.196 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.122 -6.659 -1.335 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.419 -6.311 -2.154 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.509 -4.996 -1.374 1.00 0.11 H new ATOM 503 N VAL A 369 3.064 -5.501 -4.032 1.00 0.09 N ATOM 504 CA VAL A 369 4.203 -6.128 -3.378 1.00 0.09 C ATOM 505 C VAL A 369 4.605 -5.293 -2.174 1.00 0.09 C ATOM 506 O VAL A 369 4.902 -4.105 -2.287 1.00 0.11 O ATOM 507 CB VAL A 369 5.403 -6.404 -4.326 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.374 -5.517 -5.539 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.731 -6.244 -3.611 1.00 0.12 C ATOM 0 H VAL A 369 2.976 -4.502 -3.845 1.00 0.09 H new ATOM 0 HA VAL A 369 3.889 -7.119 -3.049 1.00 0.09 H new ATOM 0 HB VAL A 369 5.303 -7.440 -4.651 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.230 -5.742 -6.175 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.453 -5.691 -6.095 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.418 -4.473 -5.228 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.545 -6.445 -4.307 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.820 -5.226 -3.233 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.783 -6.946 -2.779 1.00 0.12 H new ATOM 519 N SER A 370 4.540 -5.923 -1.020 1.00 0.09 N ATOM 520 CA SER A 370 4.616 -5.231 0.239 1.00 0.10 C ATOM 521 C SER A 370 5.419 -5.996 1.277 1.00 0.10 C ATOM 522 O SER A 370 5.354 -7.220 1.343 1.00 0.10 O ATOM 523 CB SER A 370 3.208 -5.057 0.745 1.00 0.12 C ATOM 524 OG SER A 370 3.207 -4.761 2.113 1.00 0.70 O ATOM 0 H SER A 370 4.433 -6.934 -0.934 1.00 0.09 H new ATOM 0 HA SER A 370 5.120 -4.277 0.081 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.715 -4.256 0.194 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.636 -5.967 0.564 1.00 0.12 H new ATOM 0 HG SER A 370 3.832 -4.027 2.289 1.00 0.70 H new ATOM 530 N GLY A 371 6.131 -5.258 2.110 1.00 0.09 N ATOM 531 CA GLY A 371 6.616 -5.819 3.346 1.00 0.10 C ATOM 532 C GLY A 371 7.757 -6.831 3.257 1.00 0.11 C ATOM 533 O GLY A 371 7.642 -7.873 3.886 1.00 0.13 O ATOM 0 H GLY A 371 6.381 -4.282 1.951 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.943 -4.998 3.984 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.778 -6.300 3.850 1.00 0.10 H new ATOM 537 N LYS A 372 8.823 -6.572 2.476 1.00 0.11 N ATOM 538 CA LYS A 372 9.882 -7.549 2.269 1.00 0.14 C ATOM 539 C LYS A 372 10.299 -8.175 3.582 1.00 0.16 C ATOM 540 O LYS A 372 10.290 -7.508 4.604 1.00 0.19 O ATOM 541 CB LYS A 372 11.084 -6.897 1.618 1.00 0.17 C ATOM 542 CG LYS A 372 11.642 -5.716 2.329 1.00 0.22 C ATOM 543 CD LYS A 372 13.116 -5.826 2.210 1.00 0.30 C ATOM 544 CE LYS A 372 13.777 -4.494 2.117 1.00 0.47 C ATOM 545 NZ LYS A 372 15.247 -4.610 1.932 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.964 -5.691 1.982 1.00 0.11 H new ATOM 0 HA LYS A 372 9.495 -8.328 1.612 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.871 -7.645 1.521 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.807 -6.593 0.609 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.283 -4.788 1.885 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.334 -5.709 3.375 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.509 -6.364 3.073 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.364 -6.415 1.327 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.350 -3.936 1.284 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.570 -3.923 3.022 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.636 -3.686 1.654 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.686 -4.916 2.824 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.449 -5.309 1.189 1.00 0.48 H new ATOM 559 N PRO A 373 10.661 -9.447 3.547 1.00 0.18 N ATOM 560 CA PRO A 373 10.970 -10.276 4.718 1.00 0.20 C ATOM 561 C PRO A 373 11.641 -9.541 5.893 1.00 0.20 C ATOM 562 O PRO A 373 11.358 -9.819 7.058 1.00 0.22 O ATOM 563 CB PRO A 373 11.900 -11.280 4.089 1.00 0.23 C ATOM 564 CG PRO A 373 11.217 -11.566 2.815 1.00 0.22 C ATOM 565 CD PRO A 373 10.819 -10.216 2.314 1.00 0.19 C ATOM 0 HA PRO A 373 10.076 -10.674 5.198 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.899 -10.872 3.935 1.00 0.23 H new ATOM 0 HB3 PRO A 373 12.012 -12.174 4.703 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.877 -12.075 2.113 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.350 -12.210 2.962 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.580 -9.785 1.663 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.893 -10.254 1.740 1.00 0.19 H new ATOM 573 N THR A 374 12.509 -8.590 5.585 1.00 0.20 N ATOM 574 CA THR A 374 13.243 -7.862 6.598 1.00 0.23 C ATOM 575 C THR A 374 12.355 -6.822 7.271 1.00 0.20 C ATOM 576 O THR A 374 12.464 -6.575 8.471 1.00 0.23 O ATOM 577 CB THR A 374 14.450 -7.163 5.964 1.00 0.28 C ATOM 578 OG1 THR A 374 14.077 -5.880 5.439 1.00 0.28 O ATOM 579 CG2 THR A 374 14.996 -8.002 4.830 1.00 0.30 C ATOM 0 H THR A 374 12.721 -8.305 4.629 1.00 0.20 H new ATOM 0 HA THR A 374 13.581 -8.574 7.351 1.00 0.23 H new ATOM 0 HB THR A 374 15.207 -7.034 6.738 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.756 -5.578 4.800 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.854 -7.498 4.385 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.305 -8.975 5.213 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.223 -8.139 4.074 1.00 0.30 H new ATOM 587 N THR A 375 11.469 -6.222 6.488 1.00 0.18 N ATOM 588 CA THR A 375 10.580 -5.196 6.994 1.00 0.18 C ATOM 589 C THR A 375 9.185 -5.357 6.400 1.00 0.14 C ATOM 590 O THR A 375 8.755 -4.604 5.522 1.00 0.13 O ATOM 591 CB THR A 375 11.115 -3.783 6.723 1.00 0.23 C ATOM 592 OG1 THR A 375 12.531 -3.736 6.966 1.00 0.30 O ATOM 593 CG2 THR A 375 10.412 -2.781 7.618 1.00 0.27 C ATOM 0 H THR A 375 11.350 -6.432 5.497 1.00 0.18 H new ATOM 0 HA THR A 375 10.524 -5.322 8.075 1.00 0.18 H new ATOM 0 HB THR A 375 10.922 -3.530 5.680 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.991 -4.333 6.339 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.798 -1.781 7.419 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.341 -2.803 7.418 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.591 -3.037 8.662 1.00 0.27 H new ATOM 601 N PRO A 376 8.503 -6.388 6.874 1.00 0.13 N ATOM 602 CA PRO A 376 7.166 -6.790 6.439 1.00 0.11 C ATOM 603 C PRO A 376 6.067 -5.858 6.892 1.00 0.11 C ATOM 604 O PRO A 376 6.230 -5.045 7.808 1.00 0.15 O ATOM 605 CB PRO A 376 6.976 -8.142 7.112 1.00 0.14 C ATOM 606 CG PRO A 376 8.324 -8.550 7.506 1.00 0.16 C ATOM 607 CD PRO A 376 9.018 -7.298 7.869 1.00 0.15 C ATOM 0 HA PRO A 376 7.101 -6.794 5.351 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.316 -8.065 7.976 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.526 -8.864 6.431 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.296 -9.242 8.347 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.835 -9.061 6.690 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.780 -6.976 8.883 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.102 -7.398 7.812 1.00 0.15 H new ATOM 615 N THR A 377 4.941 -6.003 6.222 1.00 0.08 N ATOM 616 CA THR A 377 3.736 -5.285 6.537 1.00 0.08 C ATOM 617 C THR A 377 3.094 -5.824 7.811 1.00 0.08 C ATOM 618 O THR A 377 3.206 -7.004 8.137 1.00 0.11 O ATOM 619 CB THR A 377 2.744 -5.423 5.382 1.00 0.09 C ATOM 620 OG1 THR A 377 3.349 -6.199 4.339 1.00 0.12 O ATOM 621 CG2 THR A 377 2.328 -4.078 4.840 1.00 0.11 C ATOM 0 H THR A 377 4.843 -6.637 5.429 1.00 0.08 H new ATOM 0 HA THR A 377 3.993 -4.237 6.692 1.00 0.08 H new ATOM 0 HB THR A 377 1.848 -5.919 5.755 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.415 -5.657 3.525 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.623 -4.218 4.021 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.854 -3.498 5.631 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.206 -3.545 4.476 1.00 0.11 H new ATOM 629 N PRO A 378 2.367 -4.942 8.490 1.00 0.07 N ATOM 630 CA PRO A 378 1.802 -5.164 9.817 1.00 0.07 C ATOM 631 C PRO A 378 0.527 -5.993 9.808 1.00 0.07 C ATOM 632 O PRO A 378 0.401 -6.943 10.579 1.00 0.09 O ATOM 633 CB PRO A 378 1.473 -3.752 10.301 1.00 0.08 C ATOM 634 CG PRO A 378 1.772 -2.821 9.178 1.00 0.09 C ATOM 635 CD PRO A 378 2.014 -3.639 7.972 1.00 0.08 C ATOM 0 HA PRO A 378 2.500 -5.720 10.444 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.425 -3.680 10.592 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.066 -3.498 11.179 1.00 0.08 H new ATOM 0 HG2 PRO A 378 0.939 -2.137 9.016 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.645 -2.211 9.409 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.127 -3.689 7.340 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.816 -3.222 7.363 1.00 0.08 H new ATOM 643 N ALA A 379 -0.414 -5.611 8.941 1.00 0.06 N ATOM 644 CA ALA A 379 -1.711 -6.263 8.829 1.00 0.07 C ATOM 645 C ALA A 379 -2.605 -6.062 10.043 1.00 0.07 C ATOM 646 O ALA A 379 -2.270 -6.431 11.170 1.00 0.09 O ATOM 647 CB ALA A 379 -1.533 -7.711 8.477 1.00 0.08 C ATOM 0 H ALA A 379 -0.291 -4.833 8.293 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.247 -5.774 8.015 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.510 -8.188 8.396 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.009 -7.792 7.525 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.951 -8.206 9.255 1.00 0.08 H new ATOM 653 N GLY A 380 -3.765 -5.473 9.777 1.00 0.08 N ATOM 654 CA GLY A 380 -4.704 -5.144 10.821 1.00 0.10 C ATOM 655 C GLY A 380 -5.750 -4.174 10.339 1.00 0.10 C ATOM 656 O GLY A 380 -6.430 -4.428 9.348 1.00 0.11 O ATOM 0 H GLY A 380 -4.071 -5.216 8.839 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.187 -6.054 11.177 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.171 -4.714 11.669 1.00 0.10 H new ATOM 660 N VAL A 381 -5.853 -3.050 11.020 1.00 0.11 N ATOM 661 CA VAL A 381 -6.790 -2.020 10.661 1.00 0.12 C ATOM 662 C VAL A 381 -6.042 -0.706 10.503 1.00 0.12 C ATOM 663 O VAL A 381 -5.474 -0.158 11.450 1.00 0.21 O ATOM 664 CB VAL A 381 -7.928 -1.910 11.692 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.437 -1.434 13.055 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.050 -1.025 11.166 1.00 0.87 C ATOM 0 H VAL A 381 -5.285 -2.831 11.839 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.261 -2.276 9.712 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.324 -2.914 11.840 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.279 -1.374 13.744 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.700 -2.138 13.442 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -6.980 -0.450 12.954 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.843 -0.962 11.911 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.662 -0.027 10.964 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.450 -1.452 10.246 1.00 0.87 H new ATOM 676 N PHE A 382 -5.987 -0.240 9.284 1.00 0.10 N ATOM 677 CA PHE A 382 -5.159 0.879 8.940 1.00 0.10 C ATOM 678 C PHE A 382 -6.023 2.039 8.493 1.00 0.09 C ATOM 679 O PHE A 382 -7.174 1.835 8.129 1.00 0.11 O ATOM 680 CB PHE A 382 -4.276 0.425 7.802 1.00 0.16 C ATOM 681 CG PHE A 382 -3.392 -0.717 8.163 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.262 -0.524 8.932 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.703 -1.993 7.732 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.456 -1.588 9.260 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.908 -3.054 8.058 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.784 -2.856 8.822 1.00 0.10 C ATOM 0 H PHE A 382 -6.516 -0.627 8.503 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.565 1.211 9.792 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.902 0.138 6.957 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.661 1.262 7.472 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -2.010 0.468 9.278 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.585 -2.153 7.130 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.570 -1.433 9.858 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.162 -4.046 7.716 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.155 -3.695 9.081 1.00 0.10 H new ATOM 696 N TYR A 383 -5.487 3.248 8.526 1.00 0.08 N ATOM 697 CA TYR A 383 -6.236 4.414 8.070 1.00 0.09 C ATOM 698 C TYR A 383 -5.324 5.439 7.469 1.00 0.09 C ATOM 699 O TYR A 383 -4.297 5.766 8.059 1.00 0.11 O ATOM 700 CB TYR A 383 -7.011 5.102 9.189 1.00 0.12 C ATOM 701 CG TYR A 383 -7.992 4.225 9.939 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.202 3.862 9.362 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.708 3.751 11.214 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.097 3.050 10.029 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.601 2.944 11.889 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.792 2.636 11.342 1.00 0.54 C ATOM 707 OH TYR A 383 -10.679 1.778 11.956 1.00 0.69 O ATOM 0 H TYR A 383 -4.545 3.450 8.860 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.939 4.029 7.331 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.297 5.511 9.903 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.556 5.945 8.764 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.447 4.222 8.374 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.773 4.019 11.684 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.015 2.737 9.554 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.343 2.557 12.863 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.358 1.565 12.857 1.00 0.69 H new ATOM 717 N VAL A 384 -5.711 5.990 6.338 1.00 0.09 N ATOM 718 CA VAL A 384 -4.913 7.026 5.743 1.00 0.10 C ATOM 719 C VAL A 384 -5.058 8.319 6.530 1.00 0.11 C ATOM 720 O VAL A 384 -6.158 8.841 6.721 1.00 0.13 O ATOM 721 CB VAL A 384 -5.227 7.242 4.240 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.669 6.942 3.930 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.896 8.654 3.815 1.00 0.14 C ATOM 0 H VAL A 384 -6.557 5.741 5.825 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.874 6.699 5.789 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.602 6.548 3.678 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.854 7.104 2.868 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.887 5.904 4.182 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.311 7.600 4.515 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.126 8.779 2.757 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.488 9.358 4.400 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.836 8.845 3.981 1.00 0.14 H new ATOM 733 N TRP A 385 -3.935 8.808 7.021 1.00 0.12 N ATOM 734 CA TRP A 385 -3.929 10.007 7.829 1.00 0.14 C ATOM 735 C TRP A 385 -3.329 11.177 7.090 1.00 0.16 C ATOM 736 O TRP A 385 -3.205 12.281 7.620 1.00 0.19 O ATOM 737 CB TRP A 385 -3.174 9.789 9.116 1.00 0.16 C ATOM 738 CG TRP A 385 -1.849 9.137 8.923 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.612 7.810 8.787 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.582 9.785 8.853 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.260 7.587 8.649 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.391 8.789 8.690 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.181 11.113 8.914 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.748 9.084 8.592 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.156 11.408 8.817 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.113 10.400 8.659 1.00 0.17 C ATOM 0 H TRP A 385 -3.016 8.391 6.873 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.970 10.238 8.056 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.029 10.750 9.610 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.779 9.175 9.783 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.371 7.041 8.787 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.183 6.675 8.535 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.909 11.901 9.036 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.484 8.303 8.468 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.475 12.439 8.864 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.157 10.666 8.589 1.00 0.17 H new ATOM 757 N ASN A 386 -2.969 10.923 5.860 1.00 0.16 N ATOM 758 CA ASN A 386 -2.436 11.947 4.993 1.00 0.21 C ATOM 759 C ASN A 386 -2.461 11.481 3.560 1.00 0.20 C ATOM 760 O ASN A 386 -2.419 10.292 3.281 1.00 0.18 O ATOM 761 CB ASN A 386 -1.021 12.350 5.393 1.00 0.24 C ATOM 762 CG ASN A 386 -0.593 13.591 4.663 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.837 14.709 5.109 1.00 0.41 O ATOM 764 ND2 ASN A 386 0.047 13.395 3.532 1.00 0.31 N ATOM 0 H ASN A 386 -3.036 10.001 5.428 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.070 12.828 5.096 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -0.977 12.522 6.468 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.330 11.536 5.172 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.366 14.192 2.982 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.225 12.445 3.205 1.00 0.31 H new ATOM 771 N LYS A 387 -2.586 12.421 2.663 1.00 0.22 N ATOM 772 CA LYS A 387 -2.448 12.159 1.266 1.00 0.22 C ATOM 773 C LYS A 387 -1.216 12.845 0.757 1.00 0.19 C ATOM 774 O LYS A 387 -1.010 14.036 0.973 1.00 0.24 O ATOM 775 CB LYS A 387 -3.645 12.668 0.532 1.00 0.32 C ATOM 776 CG LYS A 387 -4.885 11.891 0.772 1.00 1.09 C ATOM 777 CD LYS A 387 -6.050 12.811 0.568 1.00 0.96 C ATOM 778 CE LYS A 387 -5.919 13.578 -0.718 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.226 13.813 -1.379 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.788 13.395 2.888 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.364 11.084 1.105 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -3.819 13.705 0.819 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.430 12.665 -0.537 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -4.943 11.044 0.088 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.892 11.485 1.784 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -6.975 12.234 0.558 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.118 13.507 1.404 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -5.440 14.536 -0.518 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.266 13.031 -1.398 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.079 14.345 -2.260 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.674 12.900 -1.597 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -7.843 14.359 -0.744 1.00 0.67 H new ATOM 793 N GLU A 388 -0.395 12.085 0.121 1.00 0.18 N ATOM 794 CA GLU A 388 0.847 12.588 -0.386 1.00 0.18 C ATOM 795 C GLU A 388 1.050 12.303 -1.845 1.00 0.23 C ATOM 796 O GLU A 388 1.234 11.191 -2.283 1.00 0.38 O ATOM 797 CB GLU A 388 1.969 12.055 0.450 1.00 0.16 C ATOM 798 CG GLU A 388 2.549 13.141 1.294 1.00 0.16 C ATOM 799 CD GLU A 388 3.645 12.679 2.233 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.327 12.092 3.289 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.832 12.862 1.896 1.00 0.32 O ATOM 0 H GLU A 388 -0.559 11.096 -0.066 1.00 0.18 H new ATOM 0 HA GLU A 388 0.825 13.675 -0.313 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.606 11.247 1.085 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.742 11.633 -0.193 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.948 13.918 0.642 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.751 13.595 1.881 1.00 0.16 H new ATOM 808 N GLU A 389 1.039 13.361 -2.576 1.00 0.17 N ATOM 809 CA GLU A 389 1.134 13.327 -3.988 1.00 0.19 C ATOM 810 C GLU A 389 2.466 13.822 -4.443 1.00 0.21 C ATOM 811 O GLU A 389 2.937 14.865 -3.982 1.00 0.26 O ATOM 812 CB GLU A 389 0.067 14.215 -4.523 1.00 0.21 C ATOM 813 CG GLU A 389 -1.288 13.835 -4.041 1.00 0.30 C ATOM 814 CD GLU A 389 -1.849 14.783 -3.002 1.00 1.06 C ATOM 815 OE1 GLU A 389 -1.259 14.912 -1.911 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -2.878 15.432 -3.287 1.00 1.18 O ATOM 0 H GLU A 389 0.961 14.303 -2.193 1.00 0.17 H new ATOM 0 HA GLU A 389 1.018 12.304 -4.346 1.00 0.19 H new ATOM 0 HB2 GLU A 389 0.277 15.244 -4.232 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.084 14.182 -5.612 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.969 13.796 -4.891 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.246 12.831 -3.620 1.00 0.30 H new ATOM 823 N ASP A 390 3.042 13.093 -5.351 1.00 0.20 N ATOM 824 CA ASP A 390 4.382 13.390 -5.834 1.00 0.19 C ATOM 825 C ASP A 390 5.295 13.515 -4.622 1.00 0.21 C ATOM 826 O ASP A 390 6.162 14.388 -4.511 1.00 0.40 O ATOM 827 CB ASP A 390 4.365 14.666 -6.658 1.00 0.24 C ATOM 828 CG ASP A 390 5.690 14.952 -7.337 1.00 0.26 C ATOM 829 OD1 ASP A 390 6.191 14.074 -8.071 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.247 16.052 -7.122 1.00 0.36 O ATOM 0 H ASP A 390 2.610 12.277 -5.784 1.00 0.20 H new ATOM 0 HA ASP A 390 4.750 12.595 -6.482 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.584 14.593 -7.415 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.106 15.505 -6.012 1.00 0.24 H new ATOM 835 N ALA A 391 4.987 12.654 -3.676 1.00 0.15 N ATOM 836 CA ALA A 391 5.635 12.603 -2.401 1.00 0.16 C ATOM 837 C ALA A 391 6.814 11.672 -2.405 1.00 0.15 C ATOM 838 O ALA A 391 7.037 10.899 -3.336 1.00 0.16 O ATOM 839 CB ALA A 391 4.628 12.164 -1.362 1.00 0.16 C ATOM 0 H ALA A 391 4.255 11.952 -3.785 1.00 0.15 H new ATOM 0 HA ALA A 391 6.015 13.597 -2.166 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.109 12.121 -0.385 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.804 12.877 -1.330 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.244 11.177 -1.621 1.00 0.16 H new ATOM 845 N THR A 392 7.543 11.749 -1.333 1.00 0.16 N ATOM 846 CA THR A 392 8.737 10.979 -1.162 1.00 0.17 C ATOM 847 C THR A 392 8.664 10.204 0.124 1.00 0.16 C ATOM 848 O THR A 392 8.748 10.749 1.228 1.00 0.18 O ATOM 849 CB THR A 392 9.999 11.842 -1.170 1.00 0.20 C ATOM 850 OG1 THR A 392 10.259 12.319 -2.498 1.00 0.27 O ATOM 851 CG2 THR A 392 11.197 11.040 -0.651 1.00 0.22 C ATOM 0 H THR A 392 7.323 12.356 -0.543 1.00 0.16 H new ATOM 0 HA THR A 392 8.804 10.298 -2.010 1.00 0.17 H new ATOM 0 HB THR A 392 9.843 12.697 -0.512 1.00 0.20 H new ATOM 0 HG1 THR A 392 11.068 12.872 -2.494 1.00 0.27 H new ATOM 0 HG21 THR A 392 12.088 11.668 -0.663 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.999 10.710 0.369 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.357 10.171 -1.289 1.00 0.22 H new ATOM 859 N LEU A 393 8.447 8.939 -0.053 1.00 0.15 N ATOM 860 CA LEU A 393 8.448 7.988 1.001 1.00 0.16 C ATOM 861 C LEU A 393 9.838 7.766 1.477 1.00 0.17 C ATOM 862 O LEU A 393 10.796 8.012 0.758 1.00 0.18 O ATOM 863 CB LEU A 393 7.876 6.711 0.474 1.00 0.16 C ATOM 864 CG LEU A 393 6.369 6.710 0.334 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.897 7.834 -0.563 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.906 5.392 -0.216 1.00 0.24 C ATOM 0 H LEU A 393 8.258 8.531 -0.969 1.00 0.15 H new ATOM 0 HA LEU A 393 7.851 8.349 1.839 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.319 6.504 -0.500 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.167 5.896 1.137 1.00 0.16 H new ATOM 0 HG LEU A 393 5.940 6.864 1.324 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.810 7.804 -0.642 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.204 8.790 -0.140 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.336 7.718 -1.554 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.820 5.400 -0.314 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.357 5.227 -1.194 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.204 4.591 0.460 1.00 0.24 H new ATOM 878 N LYS A 394 9.934 7.329 2.691 1.00 0.20 N ATOM 879 CA LYS A 394 11.155 7.132 3.324 1.00 0.24 C ATOM 880 C LYS A 394 11.022 6.023 4.305 1.00 0.30 C ATOM 881 O LYS A 394 9.960 5.412 4.413 1.00 0.38 O ATOM 882 CB LYS A 394 11.569 8.401 3.990 1.00 0.29 C ATOM 883 CG LYS A 394 12.522 9.104 3.157 1.00 0.29 C ATOM 884 CD LYS A 394 13.730 9.369 3.922 1.00 0.61 C ATOM 885 CE LYS A 394 13.605 10.683 4.630 1.00 0.52 C ATOM 886 NZ LYS A 394 12.230 11.000 5.118 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.127 7.098 3.270 1.00 0.20 H new ATOM 0 HA LYS A 394 11.923 6.858 2.601 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.697 9.029 4.170 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.012 8.184 4.962 1.00 0.29 H new ATOM 0 HG2 LYS A 394 12.760 8.508 2.276 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.090 10.040 2.802 1.00 0.29 H new ATOM 0 HD2 LYS A 394 13.896 8.570 4.645 1.00 0.61 H new ATOM 0 HD3 LYS A 394 14.595 9.384 3.259 1.00 0.61 H new ATOM 0 HE2 LYS A 394 14.288 10.689 5.480 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.928 11.476 3.956 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.254 11.874 5.681 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 11.594 11.130 4.305 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.882 10.217 5.708 1.00 0.67 H new ATOM 900 N GLY A 395 12.062 5.750 5.026 1.00 0.32 N ATOM 901 CA GLY A 395 11.907 4.754 6.039 1.00 0.39 C ATOM 902 C GLY A 395 13.136 4.447 6.814 1.00 0.44 C ATOM 903 O GLY A 395 13.936 5.320 7.135 1.00 0.81 O ATOM 0 H GLY A 395 12.985 6.177 4.942 1.00 0.32 H new ATOM 0 HA2 GLY A 395 11.131 5.080 6.732 1.00 0.39 H new ATOM 0 HA3 GLY A 395 11.552 3.835 5.572 1.00 0.39 H new ATOM 907 N THR A 396 13.236 3.182 7.125 1.00 0.58 N ATOM 908 CA THR A 396 14.381 2.606 7.734 1.00 0.57 C ATOM 909 C THR A 396 14.590 1.250 7.152 1.00 0.60 C ATOM 910 O THR A 396 13.694 0.406 7.118 1.00 0.71 O ATOM 911 CB THR A 396 14.270 2.538 9.244 1.00 0.67 C ATOM 912 OG1 THR A 396 12.893 2.548 9.655 1.00 0.79 O ATOM 913 CG2 THR A 396 15.014 3.715 9.818 1.00 0.68 C ATOM 0 H THR A 396 12.489 2.509 6.950 1.00 0.58 H new ATOM 0 HA THR A 396 15.241 3.244 7.529 1.00 0.57 H new ATOM 0 HB THR A 396 14.706 1.609 9.611 1.00 0.67 H new ATOM 0 HG1 THR A 396 12.843 2.502 10.633 1.00 0.79 H new ATOM 0 HG21 THR A 396 14.950 3.691 10.906 1.00 0.68 H new ATOM 0 HG22 THR A 396 16.060 3.667 9.515 1.00 0.68 H new ATOM 0 HG23 THR A 396 14.571 4.640 9.449 1.00 0.68 H new ATOM 921 N ASN A 397 15.760 1.122 6.605 1.00 0.55 N ATOM 922 CA ASN A 397 16.229 -0.106 5.993 1.00 0.62 C ATOM 923 C ASN A 397 16.087 -1.294 6.920 1.00 0.69 C ATOM 924 O ASN A 397 15.656 -1.153 8.065 1.00 0.70 O ATOM 925 CB ASN A 397 17.690 -0.043 5.620 1.00 0.63 C ATOM 926 CG ASN A 397 17.976 0.594 4.281 1.00 0.70 C ATOM 927 OD1 ASN A 397 18.931 0.237 3.597 1.00 1.12 O ATOM 928 ND2 ASN A 397 17.165 1.541 3.908 1.00 0.50 N ATOM 0 H ASN A 397 16.440 1.881 6.565 1.00 0.55 H new ATOM 0 HA ASN A 397 15.608 -0.223 5.105 1.00 0.62 H new ATOM 0 HB2 ASN A 397 18.224 0.512 6.392 1.00 0.63 H new ATOM 0 HB3 ASN A 397 18.094 -1.055 5.618 1.00 0.63 H new ATOM 0 HD21 ASN A 397 17.311 2.016 3.018 1.00 0.50 H new ATOM 0 HD22 ASN A 397 16.383 1.808 4.506 1.00 0.50 H new ATOM 935 N ASP A 398 16.498 -2.454 6.449 1.00 0.78 N ATOM 936 CA ASP A 398 16.587 -3.625 7.309 1.00 0.85 C ATOM 937 C ASP A 398 17.427 -3.314 8.551 1.00 0.78 C ATOM 938 O ASP A 398 17.274 -3.955 9.595 1.00 0.83 O ATOM 939 CB ASP A 398 17.208 -4.804 6.575 1.00 0.97 C ATOM 940 CG ASP A 398 17.269 -4.612 5.077 1.00 1.23 C ATOM 941 OD1 ASP A 398 16.247 -4.855 4.401 1.00 1.63 O1- ATOM 942 OD2 ASP A 398 18.345 -4.239 4.563 1.00 1.65 O ATOM 0 H ASP A 398 16.775 -2.615 5.481 1.00 0.78 H new ATOM 0 HA ASP A 398 15.572 -3.889 7.606 1.00 0.85 H new ATOM 0 HB2 ASP A 398 18.216 -4.969 6.954 1.00 0.97 H new ATOM 0 HB3 ASP A 398 16.634 -5.704 6.796 1.00 0.97 H new ATOM 947 N ASP A 399 18.281 -2.294 8.449 1.00 0.73 N ATOM 948 CA ASP A 399 19.211 -1.975 9.520 1.00 0.78 C ATOM 949 C ASP A 399 18.722 -0.817 10.349 1.00 0.74 C ATOM 950 O ASP A 399 19.056 -0.700 11.527 1.00 0.86 O ATOM 951 CB ASP A 399 20.556 -1.597 8.950 1.00 0.85 C ATOM 952 CG ASP A 399 21.538 -2.748 8.960 1.00 1.18 C ATOM 953 OD1 ASP A 399 21.532 -3.541 7.995 1.00 1.39 O ATOM 954 OD2 ASP A 399 22.314 -2.873 9.931 1.00 2.00 O1- ATOM 0 H ASP A 399 18.344 -1.680 7.637 1.00 0.73 H new ATOM 0 HA ASP A 399 19.292 -2.864 10.146 1.00 0.78 H new ATOM 0 HB2 ASP A 399 20.426 -1.244 7.927 1.00 0.85 H new ATOM 0 HB3 ASP A 399 20.969 -0.767 9.524 1.00 0.85 H new ATOM 959 N GLY A 400 17.939 0.035 9.746 1.00 0.65 N ATOM 960 CA GLY A 400 17.577 1.259 10.409 1.00 0.65 C ATOM 961 C GLY A 400 18.240 2.448 9.769 1.00 0.61 C ATOM 962 O GLY A 400 18.605 3.415 10.439 1.00 0.66 O ATOM 0 H GLY A 400 17.545 -0.091 8.814 1.00 0.65 H new ATOM 0 HA2 GLY A 400 16.495 1.384 10.379 1.00 0.65 H new ATOM 0 HA3 GLY A 400 17.862 1.203 11.460 1.00 0.65 H new ATOM 966 N THR A 401 18.392 2.362 8.467 1.00 0.56 N ATOM 967 CA THR A 401 18.944 3.409 7.684 1.00 0.56 C ATOM 968 C THR A 401 17.881 3.839 6.742 1.00 0.50 C ATOM 969 O THR A 401 17.282 3.034 6.061 1.00 0.50 O ATOM 970 CB THR A 401 20.177 2.954 6.902 1.00 0.61 C ATOM 971 OG1 THR A 401 19.854 1.843 6.071 1.00 0.61 O ATOM 972 CG2 THR A 401 21.282 2.548 7.851 1.00 0.68 C ATOM 0 H THR A 401 18.126 1.540 7.925 1.00 0.56 H new ATOM 0 HA THR A 401 19.270 4.222 8.332 1.00 0.56 H new ATOM 0 HB THR A 401 20.513 3.788 6.285 1.00 0.61 H new ATOM 0 HG1 THR A 401 20.651 1.563 5.575 1.00 0.61 H new ATOM 0 HG21 THR A 401 22.153 2.227 7.279 1.00 0.68 H new ATOM 0 HG22 THR A 401 21.553 3.397 8.478 1.00 0.68 H new ATOM 0 HG23 THR A 401 20.938 1.727 8.480 1.00 0.68 H new ATOM 980 N PRO A 402 17.596 5.091 6.716 1.00 0.50 N ATOM 981 CA PRO A 402 16.505 5.608 5.952 1.00 0.46 C ATOM 982 C PRO A 402 16.721 5.431 4.471 1.00 0.45 C ATOM 983 O PRO A 402 17.844 5.338 3.974 1.00 0.56 O ATOM 984 CB PRO A 402 16.498 7.068 6.320 1.00 0.55 C ATOM 985 CG PRO A 402 17.296 7.161 7.551 1.00 0.81 C ATOM 986 CD PRO A 402 18.339 6.147 7.358 1.00 0.58 C ATOM 0 HA PRO A 402 15.566 5.097 6.164 1.00 0.46 H new ATOM 0 HB2 PRO A 402 16.929 7.676 5.525 1.00 0.55 H new ATOM 0 HB3 PRO A 402 15.482 7.428 6.482 1.00 0.55 H new ATOM 0 HG2 PRO A 402 17.722 8.156 7.679 1.00 0.81 H new ATOM 0 HG3 PRO A 402 16.694 6.955 8.436 1.00 0.81 H new ATOM 0 HD2 PRO A 402 19.156 6.512 6.735 1.00 0.58 H new ATOM 0 HD3 PRO A 402 18.778 5.825 8.302 1.00 0.58 H new ATOM 994 N TYR A 403 15.617 5.387 3.799 1.00 0.36 N ATOM 995 CA TYR A 403 15.555 5.149 2.377 1.00 0.34 C ATOM 996 C TYR A 403 14.468 6.021 1.829 1.00 0.29 C ATOM 997 O TYR A 403 13.830 6.711 2.590 1.00 0.29 O ATOM 998 CB TYR A 403 15.239 3.679 2.061 1.00 0.34 C ATOM 999 CG TYR A 403 13.841 3.238 2.459 1.00 0.31 C ATOM 1000 CD1 TYR A 403 12.749 3.530 1.645 1.00 0.29 C ATOM 1001 CD2 TYR A 403 13.603 2.554 3.649 1.00 0.37 C ATOM 1002 CE1 TYR A 403 11.474 3.159 1.994 1.00 0.28 C ATOM 1003 CE2 TYR A 403 12.320 2.181 4.004 1.00 0.38 C ATOM 1004 CZ TYR A 403 11.259 2.487 3.173 1.00 0.32 C ATOM 1005 OH TYR A 403 9.984 2.113 3.521 1.00 0.35 O ATOM 0 H TYR A 403 14.701 5.518 4.229 1.00 0.36 H new ATOM 0 HA TYR A 403 16.521 5.377 1.927 1.00 0.34 H new ATOM 0 HB2 TYR A 403 15.368 3.514 0.991 1.00 0.34 H new ATOM 0 HB3 TYR A 403 15.965 3.046 2.571 1.00 0.34 H new ATOM 0 HD1 TYR A 403 12.909 4.060 0.718 1.00 0.29 H new ATOM 0 HD2 TYR A 403 14.429 2.313 4.301 1.00 0.37 H new ATOM 0 HE1 TYR A 403 10.644 3.394 1.345 1.00 0.28 H new ATOM 0 HE2 TYR A 403 12.147 1.651 4.929 1.00 0.38 H new ATOM 0 HH TYR A 403 9.459 1.949 2.710 1.00 0.35 H new ATOM 1015 N GLU A 404 14.207 5.928 0.554 1.00 0.28 N ATOM 1016 CA GLU A 404 13.126 6.689 -0.053 1.00 0.24 C ATOM 1017 C GLU A 404 12.404 5.899 -1.109 1.00 0.24 C ATOM 1018 O GLU A 404 12.896 4.899 -1.638 1.00 0.31 O ATOM 1019 CB GLU A 404 13.621 7.960 -0.694 1.00 0.27 C ATOM 1020 CG GLU A 404 13.923 9.077 0.255 1.00 0.29 C ATOM 1021 CD GLU A 404 14.970 10.028 -0.276 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.634 10.870 -1.134 1.00 0.45 O ATOM 1023 OE2 GLU A 404 16.136 9.942 0.160 1.00 0.62 O1- ATOM 0 H GLU A 404 14.724 5.334 -0.094 1.00 0.28 H new ATOM 0 HA GLU A 404 12.445 6.925 0.765 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.523 7.734 -1.262 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.872 8.304 -1.408 1.00 0.27 H new ATOM 0 HG2 GLU A 404 13.007 9.630 0.461 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.264 8.661 1.203 1.00 0.29 H new ATOM 1030 N SER A 405 11.202 6.352 -1.362 1.00 0.20 N ATOM 1031 CA SER A 405 10.341 5.787 -2.338 1.00 0.20 C ATOM 1032 C SER A 405 9.539 6.905 -3.022 1.00 0.18 C ATOM 1033 O SER A 405 8.537 7.384 -2.488 1.00 0.23 O ATOM 1034 CB SER A 405 9.457 4.803 -1.607 1.00 0.26 C ATOM 1035 OG SER A 405 10.069 3.527 -1.531 1.00 1.33 O ATOM 0 H SER A 405 10.795 7.149 -0.873 1.00 0.20 H new ATOM 0 HA SER A 405 10.885 5.270 -3.129 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.251 5.171 -0.602 1.00 0.26 H new ATOM 0 HB3 SER A 405 8.498 4.720 -2.119 1.00 0.26 H new ATOM 0 HG SER A 405 9.768 2.974 -2.282 1.00 1.33 H new ATOM 1041 N PRO A 406 10.003 7.344 -4.202 1.00 0.18 N ATOM 1042 CA PRO A 406 9.402 8.433 -4.972 1.00 0.19 C ATOM 1043 C PRO A 406 8.049 8.074 -5.547 1.00 0.17 C ATOM 1044 O PRO A 406 7.932 7.379 -6.557 1.00 0.17 O ATOM 1045 CB PRO A 406 10.403 8.639 -6.096 1.00 0.20 C ATOM 1046 CG PRO A 406 10.986 7.304 -6.274 1.00 0.19 C ATOM 1047 CD PRO A 406 11.158 6.801 -4.885 1.00 0.18 C ATOM 0 HA PRO A 406 9.219 9.313 -4.355 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.919 8.992 -7.007 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.160 9.377 -5.831 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.330 6.656 -6.855 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.938 7.351 -6.803 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.174 5.712 -4.848 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.091 7.149 -4.441 1.00 0.18 H new ATOM 1055 N VAL A 407 7.049 8.625 -4.949 1.00 0.17 N ATOM 1056 CA VAL A 407 5.703 8.325 -5.253 1.00 0.17 C ATOM 1057 C VAL A 407 4.994 9.537 -5.809 1.00 0.19 C ATOM 1058 O VAL A 407 5.471 10.667 -5.742 1.00 0.30 O ATOM 1059 CB VAL A 407 5.096 7.819 -3.950 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.949 8.665 -3.464 1.00 0.15 C ATOM 1061 CG2 VAL A 407 4.734 6.367 -4.066 1.00 0.23 C ATOM 0 H VAL A 407 7.156 9.320 -4.210 1.00 0.17 H new ATOM 0 HA VAL A 407 5.608 7.568 -6.031 1.00 0.17 H new ATOM 0 HB VAL A 407 5.861 7.912 -3.179 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.561 8.252 -2.533 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.296 9.684 -3.292 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.159 8.672 -4.215 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.302 6.023 -3.126 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.008 6.236 -4.868 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.629 5.786 -4.288 1.00 0.23 H new ATOM 1071 N ASN A 408 3.897 9.245 -6.427 1.00 0.19 N ATOM 1072 CA ASN A 408 3.048 10.196 -7.072 1.00 0.21 C ATOM 1073 C ASN A 408 1.785 10.266 -6.275 1.00 0.19 C ATOM 1074 O ASN A 408 1.150 11.306 -6.151 1.00 0.26 O ATOM 1075 CB ASN A 408 2.777 9.647 -8.445 1.00 0.34 C ATOM 1076 CG ASN A 408 4.055 9.400 -9.175 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.585 10.259 -9.885 1.00 1.84 O ATOM 1078 ND2 ASN A 408 4.556 8.207 -8.989 1.00 1.01 N ATOM 0 H ASN A 408 3.550 8.289 -6.500 1.00 0.19 H new ATOM 0 HA ASN A 408 3.484 11.192 -7.144 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.212 8.718 -8.366 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.161 10.348 -9.008 1.00 0.34 H new ATOM 0 HD21 ASN A 408 5.431 7.945 -9.443 1.00 1.01 H new ATOM 0 HD22 ASN A 408 4.072 7.538 -8.390 1.00 1.01 H new ATOM 1085 N TYR A 409 1.450 9.115 -5.733 1.00 0.15 N ATOM 1086 CA TYR A 409 0.302 8.987 -4.842 1.00 0.15 C ATOM 1087 C TYR A 409 0.654 8.153 -3.625 1.00 0.14 C ATOM 1088 O TYR A 409 0.958 6.965 -3.731 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.892 8.380 -5.557 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.285 9.158 -6.784 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.707 10.475 -6.704 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.254 8.553 -8.028 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.084 11.167 -7.836 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.632 9.230 -9.162 1.00 0.34 C ATOM 1095 CZ TYR A 409 -1.972 10.642 -9.025 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.429 11.221 -10.199 1.00 0.41 O ATOM 0 H TYR A 409 1.957 8.244 -5.892 1.00 0.15 H new ATOM 0 HA TYR A 409 0.031 9.991 -4.517 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.658 7.354 -5.841 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.738 8.337 -4.872 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.741 10.966 -5.743 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.926 7.527 -8.109 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.481 12.166 -7.736 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.676 8.735 -10.121 1.00 0.34 H new ATOM 0 HH TYR A 409 -1.712 11.215 -10.867 1.00 0.41 H new ATOM 1106 N TRP A 410 0.608 8.803 -2.487 1.00 0.13 N ATOM 1107 CA TRP A 410 0.919 8.204 -1.208 1.00 0.11 C ATOM 1108 C TRP A 410 -0.251 8.344 -0.281 1.00 0.10 C ATOM 1109 O TRP A 410 -0.890 9.394 -0.206 1.00 0.12 O ATOM 1110 CB TRP A 410 2.137 8.902 -0.595 1.00 0.12 C ATOM 1111 CG TRP A 410 2.565 8.409 0.747 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.970 9.187 1.777 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.663 7.056 1.201 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.298 8.416 2.850 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.127 7.096 2.524 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.401 5.823 0.621 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.336 5.939 3.274 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.611 4.682 1.354 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.079 4.743 2.669 1.00 0.11 C ATOM 0 H TRP A 410 0.347 9.787 -2.421 1.00 0.13 H new ATOM 0 HA TRP A 410 1.139 7.147 -1.355 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.976 8.798 -1.283 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.920 9.967 -0.517 1.00 0.12 H new ATOM 0 HD1 TRP A 410 3.025 10.265 1.752 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.620 8.765 3.753 1.00 0.13 H new ATOM 0 HE3 TRP A 410 2.037 5.762 -0.394 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.688 5.988 4.294 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.411 3.720 0.906 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.240 3.826 3.217 1.00 0.11 H new ATOM 1130 N MET A 411 -0.538 7.279 0.406 1.00 0.09 N ATOM 1131 CA MET A 411 -1.543 7.304 1.422 1.00 0.10 C ATOM 1132 C MET A 411 -1.084 6.561 2.670 1.00 0.09 C ATOM 1133 O MET A 411 -1.351 5.369 2.822 1.00 0.10 O ATOM 1134 CB MET A 411 -2.799 6.698 0.861 1.00 0.12 C ATOM 1135 CG MET A 411 -3.832 7.735 0.495 1.00 0.14 C ATOM 1136 SD MET A 411 -4.735 7.280 -0.989 1.00 0.41 S ATOM 1137 CE MET A 411 -5.091 5.572 -0.618 1.00 0.13 C ATOM 0 H MET A 411 -0.084 6.374 0.278 1.00 0.09 H new ATOM 0 HA MET A 411 -1.735 8.334 1.722 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.551 6.110 -0.023 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.224 6.010 1.592 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.531 7.860 1.322 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.343 8.697 0.343 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.509 5.087 -1.501 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.172 5.064 -0.326 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.810 5.519 0.199 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.369 7.252 3.569 1.00 0.09 N ATOM 1148 CA PRO A 412 0.146 6.655 4.806 1.00 0.09 C ATOM 1149 C PRO A 412 -0.957 6.359 5.795 1.00 0.09 C ATOM 1150 O PRO A 412 -1.914 7.120 5.947 1.00 0.09 O ATOM 1151 CB PRO A 412 1.056 7.752 5.358 1.00 0.10 C ATOM 1152 CG PRO A 412 0.427 9.001 4.871 1.00 0.16 C ATOM 1153 CD PRO A 412 0.002 8.679 3.467 1.00 0.11 C ATOM 0 HA PRO A 412 0.645 5.702 4.629 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.103 7.724 6.447 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.077 7.648 4.992 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.425 9.285 5.489 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.129 9.835 4.893 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.837 9.295 3.145 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.808 8.839 2.751 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.806 5.219 6.433 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.801 4.672 7.327 1.00 0.10 C ATOM 1163 C ILE A 413 -1.219 4.423 8.702 1.00 0.14 C ATOM 1164 O ILE A 413 -1.943 4.165 9.661 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.314 3.357 6.765 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.195 2.304 6.792 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.803 3.615 5.362 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.465 1.086 5.946 1.00 0.11 C ATOM 0 H ILE A 413 0.027 4.637 6.343 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.614 5.392 7.416 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.135 2.968 7.366 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.268 2.768 6.454 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -1.036 1.987 7.823 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.178 2.687 4.931 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.604 4.354 5.386 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.981 3.991 4.753 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.625 0.396 6.023 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.372 0.594 6.296 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.593 1.386 4.906 1.00 0.11 H new ATOM 1180 N ASP A 414 0.104 4.435 8.772 1.00 0.15 N ATOM 1181 CA ASP A 414 0.793 4.289 10.041 1.00 0.22 C ATOM 1182 C ASP A 414 1.919 5.305 10.142 1.00 0.21 C ATOM 1183 O ASP A 414 2.342 5.858 9.128 1.00 0.22 O ATOM 1184 CB ASP A 414 1.330 2.871 10.210 1.00 0.31 C ATOM 1185 CG ASP A 414 1.733 2.582 11.637 1.00 0.88 C ATOM 1186 OD1 ASP A 414 0.837 2.436 12.493 1.00 1.59 O ATOM 1187 OD2 ASP A 414 2.947 2.476 11.903 1.00 1.23 O1- ATOM 0 H ASP A 414 0.719 4.544 7.965 1.00 0.15 H new ATOM 0 HA ASP A 414 0.080 4.474 10.845 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.569 2.156 9.897 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.190 2.729 9.555 1.00 0.31 H new ATOM 1192 N TRP A 415 2.423 5.526 11.345 1.00 0.24 N ATOM 1193 CA TRP A 415 3.460 6.522 11.570 1.00 0.25 C ATOM 1194 C TRP A 415 4.860 5.919 11.530 1.00 0.27 C ATOM 1195 O TRP A 415 5.827 6.553 11.952 1.00 0.31 O ATOM 1196 CB TRP A 415 3.219 7.279 12.871 1.00 0.28 C ATOM 1197 CG TRP A 415 2.173 8.339 12.724 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.384 9.682 12.615 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.756 8.148 12.644 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.185 10.338 12.487 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.172 9.418 12.501 1.00 0.28 C ATOM 1202 CE3 TRP A 415 -0.080 7.027 12.686 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.202 9.598 12.395 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.446 7.215 12.580 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.993 8.490 12.438 1.00 0.27 C ATOM 0 H TRP A 415 2.130 5.027 12.185 1.00 0.24 H new ATOM 0 HA TRP A 415 3.402 7.235 10.748 1.00 0.25 H new ATOM 0 HB2 TRP A 415 2.915 6.576 13.647 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.152 7.735 13.202 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.353 10.159 12.628 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.068 11.347 12.396 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.333 6.035 12.799 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.628 10.584 12.282 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -2.102 6.358 12.608 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -3.064 8.601 12.361 1.00 0.27 H new ATOM 1216 N THR A 416 4.978 4.709 11.023 1.00 0.27 N ATOM 1217 CA THR A 416 6.287 4.118 10.808 1.00 0.32 C ATOM 1218 C THR A 416 6.687 4.403 9.387 1.00 0.30 C ATOM 1219 O THR A 416 7.864 4.530 9.045 1.00 0.35 O ATOM 1220 CB THR A 416 6.269 2.602 11.033 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.074 2.043 10.466 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.347 2.272 12.512 1.00 0.44 C ATOM 0 H THR A 416 4.192 4.118 10.753 1.00 0.27 H new ATOM 0 HA THR A 416 6.994 4.547 11.518 1.00 0.32 H new ATOM 0 HB THR A 416 7.141 2.169 10.542 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.368 2.023 11.145 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.333 1.190 12.645 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.270 2.676 12.927 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.494 2.712 13.029 1.00 0.44 H new ATOM 1230 N GLY A 417 5.657 4.558 8.583 1.00 0.24 N ATOM 1231 CA GLY A 417 5.824 4.885 7.204 1.00 0.24 C ATOM 1232 C GLY A 417 5.154 3.893 6.299 1.00 0.19 C ATOM 1233 O GLY A 417 5.595 3.662 5.178 1.00 0.20 O ATOM 0 H GLY A 417 4.685 4.459 8.877 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.416 5.878 7.016 1.00 0.24 H new ATOM 0 HA3 GLY A 417 6.888 4.928 6.969 1.00 0.24 H new ATOM 1237 N VAL A 418 4.075 3.308 6.784 1.00 0.15 N ATOM 1238 CA VAL A 418 3.329 2.368 5.986 1.00 0.11 C ATOM 1239 C VAL A 418 2.075 3.002 5.428 1.00 0.09 C ATOM 1240 O VAL A 418 1.493 3.901 6.039 1.00 0.09 O ATOM 1241 CB VAL A 418 2.972 1.089 6.774 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.062 0.176 5.972 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.237 0.355 7.129 1.00 0.17 C ATOM 0 H VAL A 418 3.702 3.469 7.720 1.00 0.15 H new ATOM 0 HA VAL A 418 3.976 2.078 5.158 1.00 0.11 H new ATOM 0 HB VAL A 418 2.440 1.383 7.679 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.832 -0.714 6.558 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.138 0.702 5.733 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.562 -0.117 5.049 1.00 0.14 H new ATOM 0 HG21 VAL A 418 3.989 -0.549 7.686 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.769 0.085 6.217 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.870 0.996 7.742 1.00 0.17 H new ATOM 1253 N GLY A 419 1.673 2.522 4.270 1.00 0.10 N ATOM 1254 CA GLY A 419 0.513 3.052 3.595 1.00 0.08 C ATOM 1255 C GLY A 419 0.347 2.459 2.217 1.00 0.08 C ATOM 1256 O GLY A 419 1.004 1.470 1.882 1.00 0.09 O ATOM 0 H GLY A 419 2.138 1.760 3.776 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.378 2.847 4.189 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.602 4.136 3.516 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.513 3.064 1.412 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.704 2.640 0.051 1.00 0.09 C ATOM 1262 C ILE A 420 0.000 3.620 -0.878 1.00 0.07 C ATOM 1263 O ILE A 420 -0.013 4.826 -0.625 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.212 2.573 -0.286 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.646 1.139 -0.543 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.531 3.401 -1.493 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.868 0.306 0.698 1.00 0.11 C ATOM 0 H ILE A 420 -1.091 3.857 1.690 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.281 1.644 -0.081 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.753 2.968 0.574 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.569 1.153 -1.123 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.890 0.652 -1.159 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.598 3.336 -1.707 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.262 4.440 -1.303 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.966 3.030 -2.348 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.175 -0.700 0.411 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.942 0.253 1.271 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.647 0.763 1.308 1.00 0.11 H new ATOM 1279 N HIS A 421 0.615 3.125 -1.936 1.00 0.07 N ATOM 1280 CA HIS A 421 1.274 4.012 -2.882 1.00 0.07 C ATOM 1281 C HIS A 421 1.305 3.440 -4.273 1.00 0.09 C ATOM 1282 O HIS A 421 1.096 2.255 -4.484 1.00 0.11 O ATOM 1283 CB HIS A 421 2.713 4.316 -2.489 1.00 0.09 C ATOM 1284 CG HIS A 421 3.623 3.137 -2.440 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.230 2.598 -3.549 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.078 2.438 -1.380 1.00 0.13 C ATOM 1287 CE1 HIS A 421 5.038 1.608 -3.132 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.977 1.471 -1.821 1.00 0.15 N ATOM 0 H HIS A 421 0.673 2.132 -2.162 1.00 0.07 H new ATOM 0 HA HIS A 421 0.681 4.926 -2.863 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.120 5.039 -3.196 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.711 4.794 -1.509 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.790 2.602 -0.352 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.654 1.006 -3.783 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.484 0.796 -1.249 1.00 0.15 H new ATOM 1296 N ASP A 422 1.604 4.318 -5.207 1.00 0.11 N ATOM 1297 CA ASP A 422 1.851 3.964 -6.562 1.00 0.14 C ATOM 1298 C ASP A 422 3.332 3.735 -6.706 1.00 0.19 C ATOM 1299 O ASP A 422 4.133 4.445 -6.113 1.00 0.29 O ATOM 1300 CB ASP A 422 1.392 5.104 -7.458 1.00 0.20 C ATOM 1301 CG ASP A 422 2.495 6.065 -7.848 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.853 6.935 -7.029 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.023 5.938 -8.975 1.00 0.42 O ATOM 0 H ASP A 422 1.680 5.319 -5.026 1.00 0.11 H new ATOM 0 HA ASP A 422 1.309 3.062 -6.848 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.952 4.686 -8.363 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.605 5.659 -6.948 1.00 0.20 H new ATOM 1308 N SER A 423 3.714 2.742 -7.440 1.00 0.15 N ATOM 1309 CA SER A 423 5.119 2.492 -7.593 1.00 0.19 C ATOM 1310 C SER A 423 5.437 2.208 -9.020 1.00 0.15 C ATOM 1311 O SER A 423 5.167 1.140 -9.572 1.00 0.16 O ATOM 1312 CB SER A 423 5.553 1.331 -6.722 1.00 0.26 C ATOM 1313 OG SER A 423 6.906 1.443 -6.378 1.00 1.48 O ATOM 0 H SER A 423 3.094 2.101 -7.935 1.00 0.15 H new ATOM 0 HA SER A 423 5.664 3.382 -7.278 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.945 1.302 -5.818 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.384 0.392 -7.250 1.00 0.26 H new ATOM 0 HG SER A 423 7.008 2.103 -5.660 1.00 1.48 H new ATOM 1319 N ASP A 424 6.009 3.221 -9.599 1.00 0.13 N ATOM 1320 CA ASP A 424 6.402 3.200 -10.975 1.00 0.13 C ATOM 1321 C ASP A 424 7.856 2.756 -11.100 1.00 0.12 C ATOM 1322 O ASP A 424 8.285 2.237 -12.130 1.00 0.15 O ATOM 1323 CB ASP A 424 6.143 4.577 -11.535 1.00 0.15 C ATOM 1324 CG ASP A 424 6.730 4.801 -12.913 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.040 4.520 -13.911 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.891 5.247 -13.004 1.00 0.35 O1- ATOM 0 H ASP A 424 6.219 4.098 -9.121 1.00 0.13 H new ATOM 0 HA ASP A 424 5.826 2.477 -11.553 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.067 4.744 -11.578 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.554 5.320 -10.851 1.00 0.15 H new ATOM 1331 N TRP A 425 8.606 3.002 -10.014 1.00 0.12 N ATOM 1332 CA TRP A 425 9.987 2.531 -9.874 1.00 0.14 C ATOM 1333 C TRP A 425 9.987 1.031 -9.684 1.00 0.15 C ATOM 1334 O TRP A 425 10.973 0.346 -9.953 1.00 0.18 O ATOM 1335 CB TRP A 425 10.658 3.186 -8.654 1.00 0.14 C ATOM 1336 CG TRP A 425 10.264 2.633 -7.321 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.702 1.500 -6.719 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.370 3.242 -6.418 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.120 1.367 -5.480 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.295 2.437 -5.273 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.625 4.397 -6.480 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.487 2.767 -4.191 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.834 4.733 -5.417 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.763 3.925 -4.278 1.00 0.15 C ATOM 0 H TRP A 425 8.269 3.533 -9.211 1.00 0.12 H new ATOM 0 HA TRP A 425 10.540 2.799 -10.774 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.738 3.090 -8.762 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.430 4.252 -8.666 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.406 0.803 -7.150 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.277 0.600 -4.826 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.665 5.029 -7.355 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.433 2.135 -3.317 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.252 5.642 -5.458 1.00 0.16 H new ATOM 0 HH2 TRP A 425 7.128 4.219 -3.455 1.00 0.15 H new ATOM 1355 N GLN A 426 8.878 0.557 -9.147 1.00 0.15 N ATOM 1356 CA GLN A 426 8.717 -0.845 -8.779 1.00 0.17 C ATOM 1357 C GLN A 426 7.593 -1.465 -9.547 1.00 0.18 C ATOM 1358 O GLN A 426 6.461 -1.586 -9.094 1.00 0.28 O ATOM 1359 CB GLN A 426 8.398 -0.917 -7.327 1.00 0.18 C ATOM 1360 CG GLN A 426 9.444 -1.601 -6.472 1.00 0.58 C ATOM 1361 CD GLN A 426 9.480 -3.112 -6.632 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.543 -3.713 -6.545 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.327 -3.753 -6.845 1.00 0.22 N ATOM 0 H GLN A 426 8.059 1.132 -8.952 1.00 0.15 H new ATOM 0 HA GLN A 426 9.638 -1.382 -9.005 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.251 0.096 -6.953 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.451 -1.443 -7.205 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.425 -1.196 -6.722 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.257 -1.361 -5.425 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.456 -3.227 -6.913 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.318 -4.769 -6.939 1.00 0.22 H new ATOM 1372 N PRO A 427 7.944 -1.861 -10.728 1.00 0.16 N ATOM 1373 CA PRO A 427 7.030 -2.155 -11.790 1.00 0.18 C ATOM 1374 C PRO A 427 6.431 -3.549 -11.739 1.00 0.16 C ATOM 1375 O PRO A 427 5.748 -3.962 -12.677 1.00 0.18 O ATOM 1376 CB PRO A 427 7.946 -2.015 -12.982 1.00 0.23 C ATOM 1377 CG PRO A 427 9.193 -2.601 -12.487 1.00 0.23 C ATOM 1378 CD PRO A 427 9.320 -2.018 -11.141 1.00 0.19 C ATOM 0 HA PRO A 427 6.149 -1.513 -11.775 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.564 -2.547 -13.853 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.075 -0.973 -13.276 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.142 -3.689 -12.453 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.041 -2.342 -13.121 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.872 -2.673 -10.467 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.847 -1.064 -11.162 1.00 0.19 H new ATOM 1386 N GLU A 428 6.709 -4.274 -10.665 1.00 0.14 N ATOM 1387 CA GLU A 428 6.180 -5.612 -10.500 1.00 0.14 C ATOM 1388 C GLU A 428 5.229 -5.657 -9.325 1.00 0.12 C ATOM 1389 O GLU A 428 5.383 -4.905 -8.378 1.00 0.15 O ATOM 1390 CB GLU A 428 7.291 -6.583 -10.220 1.00 0.17 C ATOM 1391 CG GLU A 428 7.014 -7.967 -10.722 1.00 0.22 C ATOM 1392 CD GLU A 428 7.699 -8.270 -12.038 1.00 0.64 C ATOM 1393 OE1 GLU A 428 8.918 -8.531 -12.029 1.00 0.98 O ATOM 1394 OE2 GLU A 428 7.025 -8.250 -13.085 1.00 1.10 O1- ATOM 0 H GLU A 428 7.299 -3.954 -9.897 1.00 0.14 H new ATOM 0 HA GLU A 428 5.663 -5.881 -11.421 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.209 -6.215 -10.679 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.466 -6.623 -9.145 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.340 -8.690 -9.975 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.938 -8.095 -10.841 1.00 0.22 H new ATOM 1401 N TYR A 429 4.300 -6.593 -9.387 1.00 0.11 N ATOM 1402 CA TYR A 429 3.168 -6.697 -8.461 1.00 0.10 C ATOM 1403 C TYR A 429 2.574 -8.080 -8.557 1.00 0.10 C ATOM 1404 O TYR A 429 2.238 -8.537 -9.648 1.00 0.14 O ATOM 1405 CB TYR A 429 2.048 -5.764 -8.856 1.00 0.13 C ATOM 1406 CG TYR A 429 2.458 -4.493 -9.554 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.576 -4.458 -10.931 1.00 0.23 C ATOM 1408 CD2 TYR A 429 2.716 -3.334 -8.839 1.00 0.19 C ATOM 1409 CE1 TYR A 429 2.943 -3.299 -11.583 1.00 0.29 C ATOM 1410 CE2 TYR A 429 3.081 -2.171 -9.481 1.00 0.25 C ATOM 1411 CZ TYR A 429 3.235 -2.152 -10.819 1.00 0.30 C ATOM 1412 OH TYR A 429 3.550 -1.003 -11.513 1.00 0.38 O ATOM 0 H TYR A 429 4.304 -7.324 -10.098 1.00 0.11 H new ATOM 0 HA TYR A 429 3.546 -6.460 -7.466 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.363 -6.307 -9.507 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.491 -5.498 -7.958 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.378 -5.351 -11.505 1.00 0.23 H new ATOM 0 HD2 TYR A 429 2.630 -3.343 -7.762 1.00 0.19 H new ATOM 0 HE1 TYR A 429 3.005 -3.271 -12.661 1.00 0.29 H new ATOM 0 HE2 TYR A 429 3.244 -1.270 -8.909 1.00 0.25 H new ATOM 0 HH TYR A 429 3.086 -1.005 -12.376 1.00 0.38 H new ATOM 1422 N GLY A 430 2.461 -8.760 -7.455 1.00 0.10 N ATOM 1423 CA GLY A 430 1.884 -10.072 -7.503 1.00 0.12 C ATOM 1424 C GLY A 430 2.478 -10.979 -6.469 1.00 0.13 C ATOM 1425 O GLY A 430 3.197 -10.504 -5.592 1.00 0.13 O ATOM 0 H GLY A 430 2.753 -8.439 -6.532 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.807 -10.001 -7.349 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.037 -10.500 -8.494 1.00 0.12 H new ATOM 1429 N GLY A 431 2.222 -12.284 -6.629 1.00 0.16 N ATOM 1430 CA GLY A 431 2.839 -13.322 -5.806 1.00 0.20 C ATOM 1431 C GLY A 431 4.230 -12.955 -5.349 1.00 0.17 C ATOM 1432 O GLY A 431 4.953 -12.270 -6.073 1.00 0.16 O ATOM 0 H GLY A 431 1.580 -12.646 -7.334 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.212 -13.509 -4.934 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.881 -14.252 -6.373 1.00 0.20 H new ATOM 1436 N ASP A 432 4.666 -13.531 -4.240 1.00 0.18 N ATOM 1437 CA ASP A 432 5.565 -12.828 -3.342 1.00 0.18 C ATOM 1438 C ASP A 432 6.809 -12.368 -4.031 1.00 0.18 C ATOM 1439 O ASP A 432 7.781 -13.089 -4.251 1.00 0.19 O ATOM 1440 CB ASP A 432 5.960 -13.731 -2.184 1.00 0.22 C ATOM 1441 CG ASP A 432 4.786 -14.449 -1.554 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.150 -13.882 -0.642 1.00 0.33 O1- ATOM 1443 OD2 ASP A 432 4.488 -15.578 -1.979 1.00 0.29 O ATOM 0 H ASP A 432 4.415 -14.474 -3.943 1.00 0.18 H new ATOM 0 HA ASP A 432 5.027 -11.952 -2.980 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.680 -14.469 -2.538 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.462 -13.134 -1.423 1.00 0.22 H new ATOM 1448 N LEU A 433 6.720 -11.102 -4.323 1.00 0.16 N ATOM 1449 CA LEU A 433 7.762 -10.321 -4.896 1.00 0.15 C ATOM 1450 C LEU A 433 8.464 -9.605 -3.793 1.00 0.14 C ATOM 1451 O LEU A 433 9.658 -9.364 -3.882 1.00 0.15 O ATOM 1452 CB LEU A 433 7.108 -9.377 -5.859 1.00 0.14 C ATOM 1453 CG LEU A 433 6.690 -10.044 -7.152 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.737 -9.160 -7.917 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.918 -10.373 -7.972 1.00 0.18 C ATOM 0 H LEU A 433 5.869 -10.564 -4.156 1.00 0.16 H new ATOM 0 HA LEU A 433 8.504 -10.917 -5.427 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.232 -8.934 -5.386 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.796 -8.562 -6.083 1.00 0.14 H new ATOM 0 HG LEU A 433 6.166 -10.973 -6.928 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.446 -9.655 -8.844 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.850 -8.972 -7.312 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.225 -8.213 -8.148 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.616 -10.853 -8.903 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.462 -9.456 -8.197 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.562 -11.048 -7.408 1.00 0.18 H new ATOM 1467 N TRP A 434 7.715 -9.240 -2.775 1.00 0.14 N ATOM 1468 CA TRP A 434 8.242 -8.441 -1.688 1.00 0.14 C ATOM 1469 C TRP A 434 9.590 -8.960 -1.225 1.00 0.17 C ATOM 1470 O TRP A 434 10.519 -8.182 -0.994 1.00 0.22 O ATOM 1471 CB TRP A 434 7.244 -8.358 -0.530 1.00 0.15 C ATOM 1472 CG TRP A 434 6.596 -9.661 -0.139 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.709 -10.387 -0.875 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.738 -10.359 1.107 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.322 -11.505 -0.177 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.942 -11.508 1.038 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.469 -10.133 2.265 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.860 -12.419 2.084 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.388 -11.031 3.307 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.590 -12.165 3.209 1.00 0.19 C ATOM 0 H TRP A 434 6.730 -9.486 -2.677 1.00 0.14 H new ATOM 0 HA TRP A 434 8.395 -7.429 -2.063 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.758 -7.952 0.341 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.461 -7.649 -0.798 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.361 -10.122 -1.863 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.675 -12.218 -0.513 1.00 0.18 H new ATOM 0 HE3 TRP A 434 8.097 -9.259 2.349 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.239 -13.299 2.009 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.951 -10.852 4.211 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.547 -12.857 4.037 1.00 0.19 H new ATOM 1491 N LYS A 435 9.711 -10.286 -1.216 1.00 0.17 N ATOM 1492 CA LYS A 435 10.888 -10.964 -0.731 1.00 0.19 C ATOM 1493 C LYS A 435 12.140 -10.563 -1.461 1.00 0.20 C ATOM 1494 O LYS A 435 13.243 -10.686 -0.937 1.00 0.22 O ATOM 1495 CB LYS A 435 10.687 -12.425 -0.886 1.00 0.20 C ATOM 1496 CG LYS A 435 9.672 -12.899 0.073 1.00 0.22 C ATOM 1497 CD LYS A 435 9.590 -14.374 0.051 1.00 0.26 C ATOM 1498 CE LYS A 435 8.487 -14.798 0.949 1.00 0.35 C ATOM 1499 NZ LYS A 435 7.794 -16.030 0.485 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.982 -10.916 -1.550 1.00 0.17 H new ATOM 0 HA LYS A 435 11.022 -10.684 0.314 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.371 -12.651 -1.904 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.628 -12.949 -0.721 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.924 -12.558 1.077 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.701 -12.471 -0.175 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.409 -14.728 -0.964 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.534 -14.811 0.378 1.00 0.26 H new ATOM 0 HE2 LYS A 435 8.886 -14.968 1.949 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.761 -13.989 1.029 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.035 -16.274 1.153 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 7.386 -15.865 -0.457 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 8.476 -16.814 0.434 1.00 0.64 H new ATOM 1513 N THR A 436 11.961 -10.089 -2.661 1.00 0.19 N ATOM 1514 CA THR A 436 13.075 -9.724 -3.489 1.00 0.21 C ATOM 1515 C THR A 436 13.039 -8.234 -3.781 1.00 0.19 C ATOM 1516 O THR A 436 14.071 -7.559 -3.833 1.00 0.23 O ATOM 1517 CB THR A 436 13.027 -10.518 -4.804 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.882 -10.135 -5.577 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.937 -11.996 -4.501 1.00 0.25 C ATOM 0 H THR A 436 11.047 -9.945 -3.090 1.00 0.19 H new ATOM 0 HA THR A 436 14.001 -9.958 -2.964 1.00 0.21 H new ATOM 0 HB THR A 436 13.934 -10.305 -5.371 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.136 -9.929 -4.976 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.903 -12.557 -5.435 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.810 -12.303 -3.924 1.00 0.25 H new ATOM 0 HG23 THR A 436 12.033 -12.195 -3.925 1.00 0.25 H new ATOM 1527 N ARG A 437 11.823 -7.729 -3.926 1.00 0.16 N ATOM 1528 CA ARG A 437 11.598 -6.382 -4.419 1.00 0.15 C ATOM 1529 C ARG A 437 11.682 -5.335 -3.323 1.00 0.17 C ATOM 1530 O ARG A 437 11.779 -4.137 -3.591 1.00 0.20 O ATOM 1531 CB ARG A 437 10.254 -6.344 -5.092 1.00 0.14 C ATOM 1532 CG ARG A 437 10.102 -7.412 -6.127 1.00 0.15 C ATOM 1533 CD ARG A 437 9.353 -6.908 -7.332 1.00 0.17 C ATOM 1534 NE ARG A 437 10.110 -5.868 -8.031 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.601 -5.983 -9.267 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.460 -7.113 -9.946 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.265 -4.970 -9.810 1.00 0.36 N ATOM 0 H ARG A 437 10.969 -8.241 -3.706 1.00 0.16 H new ATOM 0 HA ARG A 437 12.388 -6.136 -5.129 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.472 -6.456 -4.341 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.112 -5.369 -5.557 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.086 -7.768 -6.431 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.573 -8.263 -5.698 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.155 -7.736 -8.012 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.386 -6.511 -7.022 1.00 0.17 H new ATOM 0 HE ARG A 437 10.274 -4.991 -7.537 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.973 -7.904 -9.524 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.839 -7.191 -10.890 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.399 -4.107 -9.283 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.641 -5.055 -10.754 1.00 0.36 H new ATOM 1551 N GLY A 438 11.633 -5.798 -2.096 1.00 0.16 N ATOM 1552 CA GLY A 438 12.132 -4.998 -0.986 1.00 0.17 C ATOM 1553 C GLY A 438 11.272 -3.811 -0.563 1.00 0.17 C ATOM 1554 O GLY A 438 11.810 -2.749 -0.253 1.00 0.21 O ATOM 0 H GLY A 438 11.259 -6.711 -1.836 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.259 -5.652 -0.123 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.121 -4.625 -1.251 1.00 0.17 H new ATOM 1558 N SER A 439 9.958 -3.974 -0.514 1.00 0.15 N ATOM 1559 CA SER A 439 9.081 -2.904 -0.032 1.00 0.16 C ATOM 1560 C SER A 439 8.944 -3.015 1.493 1.00 0.14 C ATOM 1561 O SER A 439 8.691 -4.085 2.008 1.00 0.20 O ATOM 1562 CB SER A 439 7.717 -3.052 -0.703 1.00 0.22 C ATOM 1563 OG SER A 439 7.866 -3.168 -2.110 1.00 0.47 O ATOM 0 H SER A 439 9.474 -4.826 -0.798 1.00 0.15 H new ATOM 0 HA SER A 439 9.498 -1.927 -0.276 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.206 -3.932 -0.312 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.093 -2.190 -0.467 1.00 0.22 H new ATOM 0 HG SER A 439 6.989 -3.087 -2.540 1.00 0.47 H new ATOM 1569 N HIS A 440 9.117 -1.914 2.215 1.00 0.14 N ATOM 1570 CA HIS A 440 9.238 -1.955 3.680 1.00 0.16 C ATOM 1571 C HIS A 440 7.916 -1.645 4.344 1.00 0.16 C ATOM 1572 O HIS A 440 7.761 -0.603 4.979 1.00 0.21 O ATOM 1573 CB HIS A 440 10.264 -0.941 4.195 1.00 0.22 C ATOM 1574 CG HIS A 440 11.653 -1.147 3.729 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.073 -0.794 2.478 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.743 -1.616 4.379 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.353 -1.032 2.371 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.790 -1.531 3.506 1.00 0.38 N ATOM 0 H HIS A 440 9.178 -0.977 1.816 1.00 0.14 H new ATOM 0 HA HIS A 440 9.562 -2.965 3.929 1.00 0.16 H new ATOM 0 HB2 HIS A 440 9.944 0.057 3.897 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.258 -0.965 5.285 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.778 -1.986 5.393 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.954 -0.849 1.493 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.752 -1.809 3.702 1.00 0.38 H new ATOM 1587 N GLY A 441 6.969 -2.551 4.195 1.00 0.15 N ATOM 1588 CA GLY A 441 5.674 -2.369 4.801 1.00 0.16 C ATOM 1589 C GLY A 441 4.769 -1.593 3.889 1.00 0.15 C ATOM 1590 O GLY A 441 3.564 -1.531 4.087 1.00 0.18 O ATOM 0 H GLY A 441 7.075 -3.414 3.662 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.230 -3.340 5.023 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.781 -1.843 5.750 1.00 0.16 H new ATOM 1594 N CYS A 442 5.362 -1.018 2.866 1.00 0.14 N ATOM 1595 CA CYS A 442 4.625 -0.223 1.915 1.00 0.16 C ATOM 1596 C CYS A 442 4.070 -1.112 0.818 1.00 0.18 C ATOM 1597 O CYS A 442 4.700 -2.097 0.427 1.00 0.28 O ATOM 1598 CB CYS A 442 5.517 0.864 1.334 1.00 0.20 C ATOM 1599 SG CYS A 442 6.995 0.240 0.502 1.00 0.83 S ATOM 0 H CYS A 442 6.361 -1.089 2.673 1.00 0.14 H new ATOM 0 HA CYS A 442 3.790 0.259 2.423 1.00 0.16 H new ATOM 0 HB2 CYS A 442 4.937 1.455 0.625 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.821 1.536 2.136 1.00 0.20 H new ATOM 0 HG CYS A 442 7.687 1.239 0.040 1.00 0.83 H new ATOM 1605 N ILE A 443 2.884 -0.786 0.356 1.00 0.13 N ATOM 1606 CA ILE A 443 2.220 -1.573 -0.652 1.00 0.12 C ATOM 1607 C ILE A 443 2.397 -0.951 -2.020 1.00 0.12 C ATOM 1608 O ILE A 443 1.957 0.171 -2.273 1.00 0.15 O ATOM 1609 CB ILE A 443 0.723 -1.752 -0.318 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.555 -2.804 0.783 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.068 -2.143 -1.563 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.302 -2.524 2.061 1.00 0.10 C ATOM 0 H ILE A 443 2.356 0.029 0.668 1.00 0.13 H new ATOM 0 HA ILE A 443 2.680 -2.561 -0.666 1.00 0.12 H new ATOM 0 HB ILE A 443 0.330 -0.801 0.042 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.506 -2.897 1.015 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.882 -3.768 0.394 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.120 -2.263 -1.303 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.032 -1.363 -2.318 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.318 -3.082 -1.959 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.117 -3.327 2.774 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.370 -2.463 1.852 1.00 0.10 H new ATOM 0 HD13 ILE A 443 0.960 -1.579 2.482 1.00 0.10 H new ATOM 1624 N ASN A 444 3.078 -1.679 -2.882 1.00 0.14 N ATOM 1625 CA ASN A 444 3.319 -1.219 -4.232 1.00 0.16 C ATOM 1626 C ASN A 444 2.091 -1.410 -5.110 1.00 0.11 C ATOM 1627 O ASN A 444 1.885 -2.476 -5.689 1.00 0.12 O ATOM 1628 CB ASN A 444 4.552 -1.913 -4.828 1.00 0.30 C ATOM 1629 CG ASN A 444 4.641 -1.805 -6.336 1.00 0.88 C ATOM 1630 OD1 ASN A 444 4.058 -0.925 -6.958 1.00 1.56 O ATOM 1631 ND2 ASN A 444 5.387 -2.703 -6.932 1.00 1.77 N ATOM 0 H ASN A 444 3.475 -2.594 -2.669 1.00 0.14 H new ATOM 0 HA ASN A 444 3.523 -0.149 -4.194 1.00 0.16 H new ATOM 0 HB2 ASN A 444 5.450 -1.480 -4.388 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.536 -2.966 -4.548 1.00 0.30 H new ATOM 0 HD21 ASN A 444 5.497 -2.683 -7.946 1.00 1.77 H new ATOM 0 HD22 ASN A 444 5.858 -3.421 -6.382 1.00 1.77 H new ATOM 1638 N THR A 445 1.286 -0.369 -5.199 1.00 0.11 N ATOM 1639 CA THR A 445 0.155 -0.333 -6.093 1.00 0.10 C ATOM 1640 C THR A 445 0.583 0.267 -7.418 1.00 0.11 C ATOM 1641 O THR A 445 1.334 1.240 -7.468 1.00 0.14 O ATOM 1642 CB THR A 445 -0.972 0.493 -5.461 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.216 0.014 -4.134 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.240 0.409 -6.284 1.00 0.14 C ATOM 0 H THR A 445 1.403 0.480 -4.646 1.00 0.11 H new ATOM 0 HA THR A 445 -0.214 -1.344 -6.269 1.00 0.10 H new ATOM 0 HB THR A 445 -0.665 1.538 -5.429 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.155 0.165 -3.899 1.00 0.18 H new ATOM 0 HG21 THR A 445 -3.021 1.004 -5.811 1.00 0.14 H new ATOM 0 HG22 THR A 445 -2.049 0.792 -7.287 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.564 -0.630 -6.348 1.00 0.14 H new ATOM 1652 N PRO A 446 0.147 -0.350 -8.507 1.00 0.09 N ATOM 1653 CA PRO A 446 0.486 0.080 -9.849 1.00 0.08 C ATOM 1654 C PRO A 446 0.101 1.509 -10.115 1.00 0.09 C ATOM 1655 O PRO A 446 -1.013 1.899 -9.811 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.331 -0.825 -10.734 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.571 -2.031 -9.905 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.710 -1.533 -8.514 1.00 0.09 C ATOM 0 HA PRO A 446 1.562 0.025 -10.017 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.268 -0.352 -11.029 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.204 -1.073 -11.651 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.471 -2.555 -10.226 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.256 -2.736 -9.989 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.744 -1.285 -8.275 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.383 -2.274 -7.784 1.00 0.09 H new ATOM 1666 N PRO A 447 0.998 2.292 -10.681 1.00 0.09 N ATOM 1667 CA PRO A 447 0.855 3.750 -10.785 1.00 0.09 C ATOM 1668 C PRO A 447 -0.479 4.165 -11.350 1.00 0.09 C ATOM 1669 O PRO A 447 -1.123 5.104 -10.860 1.00 0.16 O ATOM 1670 CB PRO A 447 1.998 4.086 -11.729 1.00 0.10 C ATOM 1671 CG PRO A 447 3.017 3.117 -11.288 1.00 0.10 C ATOM 1672 CD PRO A 447 2.239 1.841 -11.311 1.00 0.09 C ATOM 0 HA PRO A 447 0.892 4.265 -9.825 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.723 3.949 -12.775 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.334 5.117 -11.620 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.874 3.088 -11.961 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.400 3.347 -10.294 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.081 1.467 -12.322 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.727 1.045 -10.749 1.00 0.09 H new ATOM 1680 N SER A 448 -0.920 3.409 -12.324 1.00 0.08 N ATOM 1681 CA SER A 448 -2.155 3.688 -12.988 1.00 0.09 C ATOM 1682 C SER A 448 -3.322 3.296 -12.095 1.00 0.09 C ATOM 1683 O SER A 448 -4.299 4.029 -11.969 1.00 0.11 O ATOM 1684 CB SER A 448 -2.231 2.932 -14.305 1.00 0.11 C ATOM 1685 OG SER A 448 -1.185 3.320 -15.179 1.00 1.17 O ATOM 0 H SER A 448 -0.429 2.586 -12.674 1.00 0.08 H new ATOM 0 HA SER A 448 -2.207 4.757 -13.197 1.00 0.09 H new ATOM 0 HB2 SER A 448 -2.172 1.860 -14.116 1.00 0.11 H new ATOM 0 HB3 SER A 448 -3.194 3.119 -14.780 1.00 0.11 H new ATOM 0 HG SER A 448 -1.256 2.818 -16.018 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.202 2.145 -11.445 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.265 1.654 -10.590 1.00 0.09 C ATOM 1693 C VAL A 449 -4.305 2.412 -9.263 1.00 0.10 C ATOM 1694 O VAL A 449 -5.357 2.572 -8.650 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.112 0.156 -10.321 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.259 -0.337 -9.453 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.049 -0.626 -11.624 1.00 0.10 C ATOM 0 H VAL A 449 -2.382 1.540 -11.496 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.204 1.822 -11.118 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.175 -0.006 -9.789 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.142 -1.405 -9.267 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.254 0.200 -8.504 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.205 -0.160 -9.965 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.940 -1.688 -11.406 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.966 -0.464 -12.190 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.195 -0.287 -12.211 1.00 0.10 H new ATOM 1707 N MET A 450 -3.158 2.899 -8.829 1.00 0.10 N ATOM 1708 CA MET A 450 -3.063 3.679 -7.626 1.00 0.11 C ATOM 1709 C MET A 450 -3.751 5.018 -7.815 1.00 0.10 C ATOM 1710 O MET A 450 -4.106 5.688 -6.870 1.00 0.14 O ATOM 1711 CB MET A 450 -1.598 3.857 -7.317 1.00 0.13 C ATOM 1712 CG MET A 450 -1.363 4.606 -6.057 1.00 0.13 C ATOM 1713 SD MET A 450 -2.392 4.029 -4.719 1.00 0.46 S ATOM 1714 CE MET A 450 -2.428 5.528 -3.769 1.00 0.10 C ATOM 0 H MET A 450 -2.268 2.760 -9.307 1.00 0.10 H new ATOM 0 HA MET A 450 -3.559 3.177 -6.795 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.125 2.878 -7.246 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.119 4.384 -8.142 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.315 4.512 -5.772 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.553 5.666 -6.227 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.397 5.626 -3.280 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.642 5.499 -3.014 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.267 6.381 -4.429 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.914 5.383 -9.069 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.592 6.593 -9.479 1.00 0.11 C ATOM 1726 C LYS A 451 -6.082 6.416 -9.433 1.00 0.10 C ATOM 1727 O LYS A 451 -6.857 7.365 -9.389 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.157 6.840 -10.890 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.346 8.250 -11.332 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.282 8.688 -12.296 1.00 0.68 C ATOM 1731 CE LYS A 451 -2.912 7.561 -13.198 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.581 8.010 -14.574 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.568 4.830 -9.853 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.347 7.424 -8.818 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.104 6.575 -10.989 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.716 6.181 -11.555 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.324 8.354 -11.801 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.338 8.906 -10.462 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.639 9.533 -12.885 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.403 9.030 -11.749 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.057 7.031 -12.778 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.737 6.850 -13.241 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.331 7.186 -15.157 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.404 8.492 -14.989 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.776 8.667 -14.540 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.448 5.161 -9.499 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.810 4.730 -9.416 1.00 0.08 C ATOM 1748 C GLU A 452 -8.182 4.717 -7.990 1.00 0.07 C ATOM 1749 O GLU A 452 -9.229 5.182 -7.580 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.894 3.330 -9.961 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.298 3.190 -11.324 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.224 3.655 -12.426 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.195 4.857 -12.764 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.978 2.817 -12.969 1.00 0.38 O ATOM 0 H GLU A 452 -5.785 4.395 -9.615 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.473 5.387 -9.980 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.385 2.650 -9.278 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.939 3.023 -9.996 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.372 3.763 -11.370 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -7.036 2.146 -11.494 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.282 4.124 -7.261 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.341 4.062 -5.860 1.00 0.05 C ATOM 1763 C LEU A 453 -7.245 5.415 -5.227 1.00 0.05 C ATOM 1764 O LEU A 453 -8.172 5.864 -4.610 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.192 3.285 -5.344 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.308 2.946 -3.899 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.493 2.047 -3.693 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.034 2.316 -3.416 1.00 0.06 C ATOM 0 H LEU A 453 -6.465 3.659 -7.656 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.299 3.603 -5.614 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.098 2.364 -5.919 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.277 3.855 -5.503 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.465 3.852 -3.313 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.581 1.797 -2.636 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.398 2.557 -4.021 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.361 1.133 -4.272 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.127 2.071 -2.358 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.840 1.406 -3.983 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.208 3.013 -3.555 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.095 6.056 -5.341 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.938 7.394 -4.810 1.00 0.08 C ATOM 1782 C PHE A 454 -7.099 8.243 -5.302 1.00 0.09 C ATOM 1783 O PHE A 454 -7.528 9.215 -4.683 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.628 8.035 -5.263 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.274 9.262 -4.476 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.686 9.163 -3.227 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.521 10.517 -4.999 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.358 10.298 -2.512 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.197 11.656 -4.297 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.631 11.516 -2.992 1.00 0.29 C ATOM 0 H PHE A 454 -5.264 5.674 -5.793 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.922 7.334 -3.722 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.823 7.306 -5.172 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.703 8.296 -6.319 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.482 8.189 -2.808 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -4.976 10.606 -5.975 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.874 10.201 -1.551 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.367 12.634 -4.723 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.424 12.392 -2.395 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.589 7.809 -6.460 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.690 8.440 -7.117 1.00 0.11 C ATOM 1802 C GLY A 455 -10.011 8.207 -6.386 1.00 0.10 C ATOM 1803 O GLY A 455 -10.905 9.051 -6.446 1.00 0.13 O ATOM 0 H GLY A 455 -7.218 7.001 -6.959 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.502 9.511 -7.190 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.769 8.060 -8.136 1.00 0.11 H new ATOM 1807 N MET A 456 -10.143 7.047 -5.718 1.00 0.08 N ATOM 1808 CA MET A 456 -11.286 6.776 -4.842 1.00 0.09 C ATOM 1809 C MET A 456 -11.029 7.268 -3.428 1.00 0.10 C ATOM 1810 O MET A 456 -11.843 7.971 -2.828 1.00 0.13 O ATOM 1811 CB MET A 456 -11.582 5.270 -4.761 1.00 0.08 C ATOM 1812 CG MET A 456 -10.418 4.375 -5.035 1.00 0.06 C ATOM 1813 SD MET A 456 -10.880 2.716 -5.527 1.00 0.06 S ATOM 1814 CE MET A 456 -11.598 3.050 -7.110 1.00 0.07 C ATOM 0 H MET A 456 -9.468 6.284 -5.772 1.00 0.08 H new ATOM 0 HA MET A 456 -12.135 7.305 -5.275 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.966 5.045 -3.766 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.376 5.034 -5.470 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.807 4.820 -5.820 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.797 4.319 -4.141 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.924 2.115 -7.566 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.455 3.713 -6.988 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.858 3.528 -7.752 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.874 6.891 -2.921 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.559 7.023 -1.520 1.00 0.10 C ATOM 1826 C VAL A 457 -8.690 8.199 -1.205 1.00 0.17 C ATOM 1827 O VAL A 457 -7.717 8.523 -1.882 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.940 5.731 -0.965 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.035 5.086 -1.989 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.202 5.974 0.345 1.00 0.10 C ATOM 0 H VAL A 457 -9.123 6.481 -3.477 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.512 7.205 -1.023 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.757 5.042 -0.750 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.608 4.173 -1.574 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.611 4.844 -2.882 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.232 5.775 -2.251 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.779 5.036 0.704 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.400 6.695 0.183 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.898 6.366 1.087 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.098 8.799 -0.129 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.514 9.943 0.437 1.00 0.26 C ATOM 1842 C GLU A 458 -8.447 9.706 1.906 1.00 0.15 C ATOM 1843 O GLU A 458 -8.825 8.624 2.363 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.364 11.149 0.129 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.820 10.877 0.371 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.714 12.075 0.136 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -12.068 12.342 -1.029 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -12.076 12.750 1.124 1.00 0.83 O ATOM 0 H GLU A 458 -9.904 8.468 0.401 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.518 10.128 0.034 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -9.043 11.988 0.746 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.216 11.443 -0.910 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.141 10.063 -0.279 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.950 10.535 1.398 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.953 10.660 2.650 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.955 10.524 4.055 1.00 0.13 C ATOM 1857 C LYS A 459 -9.299 10.171 4.602 1.00 0.14 C ATOM 1858 O LYS A 459 -10.348 10.348 3.974 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.424 11.747 4.713 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.955 11.771 4.694 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.493 12.979 5.384 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.479 14.121 4.432 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.745 15.307 4.956 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.550 11.528 2.296 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.293 9.689 4.283 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.810 12.631 4.207 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.777 11.790 5.743 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.557 10.882 5.183 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.591 11.761 3.667 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.148 13.202 6.226 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.494 12.819 5.791 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.020 13.801 3.496 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.505 14.408 4.202 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -4.769 16.070 4.250 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.196 15.634 5.834 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.757 15.046 5.150 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.238 9.680 5.796 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.425 9.252 6.456 1.00 0.19 C ATOM 1879 C GLY A 460 -10.707 7.785 6.245 1.00 0.19 C ATOM 1880 O GLY A 460 -11.215 7.109 7.141 1.00 0.37 O ATOM 0 H GLY A 460 -8.379 9.566 6.334 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.335 9.451 7.524 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.270 9.837 6.093 1.00 0.19 H new ATOM 1884 N THR A 461 -10.347 7.295 5.065 1.00 0.12 N ATOM 1885 CA THR A 461 -10.618 5.939 4.675 1.00 0.10 C ATOM 1886 C THR A 461 -9.606 5.017 5.326 1.00 0.09 C ATOM 1887 O THR A 461 -8.446 5.377 5.504 1.00 0.12 O ATOM 1888 CB THR A 461 -10.555 5.828 3.134 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.726 6.424 2.559 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.402 4.382 2.643 1.00 0.08 C ATOM 0 H THR A 461 -9.857 7.840 4.356 1.00 0.12 H new ATOM 0 HA THR A 461 -11.615 5.646 5.004 1.00 0.10 H new ATOM 0 HB THR A 461 -9.663 6.364 2.809 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.683 6.354 1.582 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.364 4.370 1.554 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.481 3.957 3.043 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.252 3.790 2.983 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.030 3.841 5.747 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.133 2.850 6.241 1.00 0.10 C ATOM 1900 C PRO A 462 -8.395 2.182 5.128 1.00 0.09 C ATOM 1901 O PRO A 462 -8.726 2.326 3.959 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.017 1.816 6.918 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.379 2.346 6.842 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.398 3.372 5.771 1.00 0.07 C ATOM 0 HA PRO A 462 -8.394 3.296 6.907 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.944 0.851 6.417 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.715 1.661 7.954 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.089 1.549 6.622 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.675 2.782 7.796 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.697 2.949 4.812 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.097 4.177 5.996 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.419 1.437 5.500 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.810 0.509 4.597 1.00 0.14 C ATOM 1914 C VAL A 463 -6.610 -0.777 5.342 1.00 0.12 C ATOM 1915 O VAL A 463 -6.624 -0.813 6.571 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.477 0.984 3.969 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.464 2.479 3.746 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.286 0.556 4.763 1.00 1.09 C ATOM 0 H VAL A 463 -7.014 1.447 6.436 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.481 0.394 3.745 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.409 0.497 2.996 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.512 2.773 3.304 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.276 2.754 3.073 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.594 2.990 4.700 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.378 0.915 4.279 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.350 0.972 5.768 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.260 -0.532 4.822 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.513 -1.825 4.607 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.316 -3.115 5.175 1.00 0.06 C ATOM 1930 C LEU A 464 -5.143 -3.771 4.546 1.00 0.06 C ATOM 1931 O LEU A 464 -4.837 -3.527 3.394 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.533 -3.930 4.882 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.132 -4.667 6.046 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.478 -3.690 7.153 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.350 -5.406 5.563 1.00 0.13 C ATOM 0 H LEU A 464 -6.568 -1.815 3.589 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.145 -3.029 6.248 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.295 -3.271 4.465 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.281 -4.656 4.109 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.420 -5.384 6.454 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.912 -4.231 7.994 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.574 -3.176 7.480 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.197 -2.960 6.782 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.800 -5.948 6.395 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.071 -4.695 5.161 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -9.062 -6.111 4.783 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.457 -4.535 5.339 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.490 -5.470 4.860 1.00 0.06 C ATOM 1949 C VAL A 465 -3.572 -6.698 5.748 1.00 0.08 C ATOM 1950 O VAL A 465 -3.898 -6.571 6.930 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.053 -4.902 4.818 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.013 -3.412 4.483 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.310 -5.187 6.066 1.00 0.07 C ATOM 0 H VAL A 465 -4.556 -4.525 6.354 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.720 -5.717 3.824 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.550 -5.422 4.003 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.978 -3.070 4.468 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.464 -3.247 3.505 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.568 -2.854 5.237 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.305 -4.771 5.994 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.831 -4.736 6.911 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.246 -6.265 6.213 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.326 -7.870 5.185 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.442 -9.115 5.927 1.00 0.14 C ATOM 1965 C PHE A 466 -2.853 -10.281 5.139 1.00 0.19 C ATOM 1966 O PHE A 466 -2.437 -11.277 5.763 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.905 -9.377 6.274 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.829 -9.316 5.092 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.906 -10.358 4.181 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.621 -8.205 4.895 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.755 -10.283 3.095 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.470 -8.133 3.817 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.539 -9.168 2.918 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.794 -10.191 3.900 1.00 1.08 O ATOM 0 H PHE A 466 -3.043 -7.985 4.212 1.00 0.11 H new ATOM 0 HA PHE A 466 -2.872 -9.023 6.852 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -4.988 -10.360 6.738 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.229 -8.646 7.015 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.295 -11.238 4.322 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.574 -7.384 5.595 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.803 -11.097 2.387 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.086 -7.257 3.676 1.00 0.17 H new ATOM 0 HZ PHE A 466 -8.208 -9.106 2.073 1.00 0.19 H new TER 1984 PHE A 466