USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 Single : A 473 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 481 GLN : amide:sc= -1.52! C(o=-1.5!,f=-3.9!) USER MOD Single : A 485 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-8!) USER MOD Single : A 488 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 493 TYR OH : rot 38:sc= -1.36 USER MOD Single : A 496 MET CE :methyl 162:sc= -1.27 (180deg=-1.74) USER MOD Single : A 497 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 505 THR OG1 : rot 32:sc= 0.225 USER MOD Single : A 508 TYR OH : rot 180:sc= 0 USER MOD Single : A 510 MET CE :methyl -154:sc= -0.0538 (180deg=-0.565) USER MOD Single : A 512 THR OG1 : rot 18:sc= 0.821 USER MOD Single : A 513 TYR OH : rot -153:sc= 0.989 USER MOD Single : A 515 ASN : amide:sc= -1.55! C(o=-1.6!,f=-3.4!) USER MOD Single : A 518 LYS NZ :NH3+ 171:sc= -0.0016 (180deg=-0.125) USER MOD Single : A 520 TYR OH : rot 180:sc= 0 USER MOD Single : A 524 SER OG : rot 180:sc= 0 USER MOD Single : A 525 SER OG : rot -176:sc= -1.1 USER MOD Single : A 527 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 532 TYR OH : rot 180:sc= 0 USER MOD Single : A 539 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.1) USER MOD Single : A 543 HIS : no HE2:sc= 0.278 K(o=0.28,f=-1.3) USER MOD Single : A 544 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 472 1.458 -12.748 -4.546 1.00 1.75 N ATOM 2 CA ARG A 472 1.172 -11.476 -3.840 1.00 1.43 C ATOM 3 C ARG A 472 -0.301 -11.368 -3.465 1.00 1.73 C ATOM 4 O ARG A 472 -1.096 -10.767 -4.189 1.00 2.33 O ATOM 5 CB ARG A 472 1.572 -10.275 -4.705 1.00 1.05 C ATOM 6 CG ARG A 472 3.022 -9.849 -4.560 1.00 1.63 C ATOM 7 CD ARG A 472 3.310 -9.289 -3.173 1.00 2.44 C ATOM 8 NE ARG A 472 3.711 -10.329 -2.222 1.00 3.40 N ATOM 9 CZ ARG A 472 3.963 -10.105 -0.932 1.00 4.48 C ATOM 10 NH1 ARG A 472 3.801 -8.890 -0.423 1.00 4.87 N ATOM 11 NH2 ARG A 472 4.378 -11.096 -0.154 1.00 5.44 N ATOM 0 HA ARG A 472 1.763 -11.472 -2.924 1.00 1.43 H new ATOM 0 HB2 ARG A 472 1.380 -10.517 -5.750 1.00 1.05 H new ATOM 0 HB3 ARG A 472 0.931 -9.431 -4.450 1.00 1.05 H new ATOM 0 HG2 ARG A 472 3.673 -10.703 -4.750 1.00 1.63 H new ATOM 0 HG3 ARG A 472 3.257 -9.096 -5.312 1.00 1.63 H new ATOM 0 HD2 ARG A 472 4.100 -8.541 -3.243 1.00 2.44 H new ATOM 0 HD3 ARG A 472 2.422 -8.781 -2.798 1.00 2.44 H new ATOM 0 HE ARG A 472 3.803 -11.284 -2.568 1.00 3.40 H new ATOM 0 HH11 ARG A 472 3.483 -8.126 -1.019 1.00 4.87 H new ATOM 0 HH12 ARG A 472 3.994 -8.721 0.564 1.00 4.87 H new ATOM 0 HH21 ARG A 472 4.505 -12.031 -0.542 1.00 5.44 H new ATOM 0 HH22 ARG A 472 4.570 -10.923 0.833 1.00 5.44 H new ATOM 27 N ASN A 473 -0.668 -11.959 -2.335 1.00 1.77 N ATOM 28 CA ASN A 473 -2.017 -11.796 -1.798 1.00 2.11 C ATOM 29 C ASN A 473 -2.028 -10.710 -0.735 1.00 1.62 C ATOM 30 O ASN A 473 -3.087 -10.276 -0.282 1.00 2.26 O ATOM 31 CB ASN A 473 -2.548 -13.106 -1.211 1.00 2.96 C ATOM 32 CG ASN A 473 -3.121 -14.041 -2.260 1.00 3.43 C ATOM 33 OD1 ASN A 473 -2.713 -14.023 -3.421 1.00 3.75 O ATOM 34 ND2 ASN A 473 -4.071 -14.871 -1.856 1.00 3.92 N ATOM 0 H ASN A 473 -0.057 -12.552 -1.774 1.00 1.77 H new ATOM 0 HA ASN A 473 -2.671 -11.505 -2.620 1.00 2.11 H new ATOM 0 HB2 ASN A 473 -1.741 -13.614 -0.683 1.00 2.96 H new ATOM 0 HB3 ASN A 473 -3.319 -12.881 -0.474 1.00 2.96 H new ATOM 0 HD21 ASN A 473 -4.491 -15.525 -2.516 1.00 3.92 H new ATOM 0 HD22 ASN A 473 -4.382 -14.856 -0.885 1.00 3.92 H new ATOM 41 N LEU A 474 -0.824 -10.292 -0.338 1.00 1.02 N ATOM 42 CA LEU A 474 -0.635 -9.189 0.604 1.00 0.50 C ATOM 43 C LEU A 474 -1.279 -9.485 1.954 1.00 0.52 C ATOM 44 O LEU A 474 -1.709 -8.577 2.664 1.00 1.38 O ATOM 45 CB LEU A 474 -1.180 -7.873 0.032 1.00 0.67 C ATOM 46 CG LEU A 474 -0.326 -7.198 -1.053 1.00 0.54 C ATOM 47 CD1 LEU A 474 1.129 -7.097 -0.631 1.00 1.29 C ATOM 48 CD2 LEU A 474 -0.434 -7.934 -2.366 1.00 0.94 C ATOM 0 H LEU A 474 0.048 -10.710 -0.662 1.00 1.02 H new ATOM 0 HA LEU A 474 0.438 -9.081 0.759 1.00 0.50 H new ATOM 0 HB2 LEU A 474 -2.170 -8.064 -0.381 1.00 0.67 H new ATOM 0 HB3 LEU A 474 -1.308 -7.169 0.854 1.00 0.67 H new ATOM 0 HG LEU A 474 -0.715 -6.188 -1.187 1.00 0.54 H new ATOM 0 HD11 LEU A 474 1.704 -6.615 -1.421 1.00 1.29 H new ATOM 0 HD12 LEU A 474 1.203 -6.507 0.283 1.00 1.29 H new ATOM 0 HD13 LEU A 474 1.526 -8.096 -0.451 1.00 1.29 H new ATOM 0 HD21 LEU A 474 0.180 -7.434 -3.115 1.00 0.94 H new ATOM 0 HD22 LEU A 474 -0.087 -8.959 -2.238 1.00 0.94 H new ATOM 0 HD23 LEU A 474 -1.473 -7.941 -2.695 1.00 0.94 H new ATOM 60 N ALA A 475 -1.324 -10.760 2.313 1.00 1.09 N ATOM 61 CA ALA A 475 -1.914 -11.170 3.576 1.00 1.19 C ATOM 62 C ALA A 475 -0.870 -11.163 4.681 1.00 1.15 C ATOM 63 O ALA A 475 -1.196 -11.070 5.865 1.00 1.34 O ATOM 64 CB ALA A 475 -2.551 -12.544 3.444 1.00 1.36 C ATOM 0 H ALA A 475 -0.959 -11.526 1.747 1.00 1.09 H new ATOM 0 HA ALA A 475 -2.694 -10.456 3.841 1.00 1.19 H new ATOM 0 HB1 ALA A 475 -2.988 -12.836 4.399 1.00 1.36 H new ATOM 0 HB2 ALA A 475 -3.331 -12.512 2.683 1.00 1.36 H new ATOM 0 HB3 ALA A 475 -1.792 -13.271 3.155 1.00 1.36 H new ATOM 70 N GLU A 476 0.391 -11.239 4.282 1.00 1.05 N ATOM 71 CA GLU A 476 1.498 -11.240 5.227 1.00 1.13 C ATOM 72 C GLU A 476 2.094 -9.842 5.355 1.00 0.88 C ATOM 73 O GLU A 476 3.251 -9.681 5.744 1.00 0.99 O ATOM 74 CB GLU A 476 2.571 -12.231 4.775 1.00 1.40 C ATOM 75 CG GLU A 476 2.091 -13.672 4.757 1.00 1.65 C ATOM 76 CD GLU A 476 1.739 -14.185 6.136 1.00 1.89 C ATOM 77 OE1 GLU A 476 2.666 -14.537 6.895 1.00 2.45 O ATOM 78 OE2 GLU A 476 0.536 -14.247 6.470 1.00 2.32 O ATOM 0 H GLU A 476 0.674 -11.301 3.304 1.00 1.05 H new ATOM 0 HA GLU A 476 1.122 -11.545 6.203 1.00 1.13 H new ATOM 0 HB2 GLU A 476 2.911 -11.957 3.777 1.00 1.40 H new ATOM 0 HB3 GLU A 476 3.432 -12.151 5.438 1.00 1.40 H new ATOM 0 HG2 GLU A 476 1.218 -13.752 4.110 1.00 1.65 H new ATOM 0 HG3 GLU A 476 2.867 -14.304 4.325 1.00 1.65 H new ATOM 85 N LEU A 477 1.291 -8.839 5.026 1.00 0.62 N ATOM 86 CA LEU A 477 1.733 -7.453 5.077 1.00 0.41 C ATOM 87 C LEU A 477 1.957 -6.986 6.508 1.00 0.48 C ATOM 88 O LEU A 477 1.104 -7.168 7.377 1.00 0.70 O ATOM 89 CB LEU A 477 0.724 -6.540 4.384 1.00 0.33 C ATOM 90 CG LEU A 477 0.909 -6.398 2.873 1.00 0.27 C ATOM 91 CD1 LEU A 477 -0.229 -5.591 2.269 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.244 -5.737 2.565 1.00 0.34 C ATOM 0 H LEU A 477 0.326 -8.961 4.720 1.00 0.62 H new ATOM 0 HA LEU A 477 2.686 -7.398 4.551 1.00 0.41 H new ATOM 0 HB2 LEU A 477 -0.279 -6.920 4.577 1.00 0.33 H new ATOM 0 HB3 LEU A 477 0.783 -5.550 4.836 1.00 0.33 H new ATOM 0 HG LEU A 477 0.900 -7.394 2.430 1.00 0.27 H new ATOM 0 HD11 LEU A 477 -0.080 -5.501 1.193 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -1.176 -6.095 2.463 1.00 0.32 H new ATOM 0 HD13 LEU A 477 -0.249 -4.598 2.717 1.00 0.32 H new ATOM 0 HD21 LEU A 477 2.363 -5.642 1.486 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.274 -4.748 3.022 1.00 0.34 H new ATOM 0 HD23 LEU A 477 3.053 -6.347 2.967 1.00 0.34 H new ATOM 104 N HIS A 478 3.117 -6.393 6.739 1.00 0.41 N ATOM 105 CA HIS A 478 3.463 -5.858 8.046 1.00 0.48 C ATOM 106 C HIS A 478 3.500 -4.336 7.982 1.00 0.36 C ATOM 107 O HIS A 478 3.663 -3.760 6.906 1.00 0.30 O ATOM 108 CB HIS A 478 4.817 -6.408 8.507 1.00 0.63 C ATOM 109 CG HIS A 478 4.861 -7.905 8.583 1.00 1.07 C ATOM 110 ND1 HIS A 478 5.955 -8.647 8.192 1.00 1.59 N ATOM 111 CD2 HIS A 478 3.935 -8.801 9.005 1.00 1.83 C ATOM 112 CE1 HIS A 478 5.698 -9.931 8.368 1.00 1.99 C ATOM 113 NE2 HIS A 478 4.480 -10.051 8.861 1.00 2.14 N ATOM 0 H HIS A 478 3.841 -6.269 6.031 1.00 0.41 H new ATOM 0 HA HIS A 478 2.707 -6.165 8.769 1.00 0.48 H new ATOM 0 HB2 HIS A 478 5.592 -6.064 7.822 1.00 0.63 H new ATOM 0 HB3 HIS A 478 5.053 -5.995 9.488 1.00 0.63 H new ATOM 0 HD2 HIS A 478 2.950 -8.572 9.384 1.00 1.83 H new ATOM 0 HE1 HIS A 478 6.372 -10.745 8.146 1.00 1.99 H new ATOM 0 HE2 HIS A 478 4.019 -10.930 9.097 1.00 2.14 H new ATOM 122 N ILE A 479 3.339 -3.691 9.126 1.00 0.37 N ATOM 123 CA ILE A 479 3.276 -2.237 9.179 1.00 0.34 C ATOM 124 C ILE A 479 4.632 -1.616 8.868 1.00 0.31 C ATOM 125 O ILE A 479 5.638 -1.960 9.490 1.00 0.35 O ATOM 126 CB ILE A 479 2.807 -1.736 10.561 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.477 -2.391 10.957 1.00 0.54 C ATOM 128 CG2 ILE A 479 2.681 -0.218 10.557 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.353 -2.155 9.973 1.00 0.56 C ATOM 0 H ILE A 479 3.249 -4.151 10.032 1.00 0.37 H new ATOM 0 HA ILE A 479 2.551 -1.931 8.425 1.00 0.34 H new ATOM 0 HB ILE A 479 3.554 -2.020 11.302 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.631 -3.465 11.065 1.00 0.54 H new ATOM 0 HG13 ILE A 479 1.175 -2.013 11.934 1.00 0.54 H new ATOM 0 HG21 ILE A 479 2.349 0.122 11.538 1.00 0.51 H new ATOM 0 HG22 ILE A 479 3.649 0.227 10.327 1.00 0.51 H new ATOM 0 HG23 ILE A 479 1.954 0.085 9.803 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.551 -2.651 10.327 1.00 0.56 H new ATOM 0 HD12 ILE A 479 0.168 -1.085 9.882 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.631 -2.559 9.000 1.00 0.56 H new ATOM 141 N GLY A 480 4.651 -0.707 7.905 1.00 0.30 N ATOM 142 CA GLY A 480 5.877 -0.027 7.549 1.00 0.38 C ATOM 143 C GLY A 480 6.692 -0.812 6.545 1.00 0.41 C ATOM 144 O GLY A 480 7.853 -0.492 6.282 1.00 0.63 O ATOM 0 H GLY A 480 3.834 -0.428 7.362 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.640 0.954 7.136 1.00 0.38 H new ATOM 0 HA3 GLY A 480 6.472 0.140 8.447 1.00 0.38 H new ATOM 148 N GLN A 481 6.077 -1.833 5.969 1.00 0.28 N ATOM 149 CA GLN A 481 6.760 -2.699 5.026 1.00 0.35 C ATOM 150 C GLN A 481 6.684 -2.084 3.631 1.00 0.30 C ATOM 151 O GLN A 481 5.596 -1.737 3.162 1.00 0.30 O ATOM 152 CB GLN A 481 6.117 -4.092 5.059 1.00 0.42 C ATOM 153 CG GLN A 481 7.042 -5.230 4.643 1.00 1.02 C ATOM 154 CD GLN A 481 7.293 -5.299 3.150 1.00 1.43 C ATOM 155 OE1 GLN A 481 8.358 -5.726 2.711 1.00 2.34 O ATOM 156 NE2 GLN A 481 6.312 -4.902 2.358 1.00 1.79 N ATOM 0 H GLN A 481 5.103 -2.081 6.140 1.00 0.28 H new ATOM 0 HA GLN A 481 7.811 -2.802 5.297 1.00 0.35 H new ATOM 0 HB2 GLN A 481 5.755 -4.287 6.069 1.00 0.42 H new ATOM 0 HB3 GLN A 481 5.246 -4.091 4.403 1.00 0.42 H new ATOM 0 HG2 GLN A 481 7.996 -5.117 5.158 1.00 1.02 H new ATOM 0 HG3 GLN A 481 6.612 -6.175 4.974 1.00 1.02 H new ATOM 0 HE21 GLN A 481 5.442 -4.553 2.760 1.00 1.79 H new ATOM 0 HE22 GLN A 481 6.425 -4.944 1.345 1.00 1.79 H new ATOM 165 N PRO A 482 7.836 -1.917 2.960 1.00 0.33 N ATOM 166 CA PRO A 482 7.892 -1.299 1.633 1.00 0.30 C ATOM 167 C PRO A 482 7.177 -2.126 0.566 1.00 0.28 C ATOM 168 O PRO A 482 7.518 -3.286 0.311 1.00 0.33 O ATOM 169 CB PRO A 482 9.393 -1.216 1.337 1.00 0.34 C ATOM 170 CG PRO A 482 10.013 -2.258 2.200 1.00 0.40 C ATOM 171 CD PRO A 482 9.171 -2.316 3.442 1.00 0.43 C ATOM 0 HA PRO A 482 7.389 -0.332 1.618 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.598 -1.403 0.283 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.787 -0.226 1.568 1.00 0.34 H new ATOM 0 HG2 PRO A 482 10.031 -3.224 1.695 1.00 0.40 H new ATOM 0 HG3 PRO A 482 11.046 -2.004 2.439 1.00 0.40 H new ATOM 0 HD2 PRO A 482 9.161 -3.316 3.876 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.541 -1.639 4.212 1.00 0.43 H new ATOM 179 N VAL A 483 6.191 -1.515 -0.062 1.00 0.24 N ATOM 180 CA VAL A 483 5.423 -2.167 -1.109 1.00 0.24 C ATOM 181 C VAL A 483 5.341 -1.269 -2.326 1.00 0.27 C ATOM 182 O VAL A 483 5.546 -0.060 -2.226 1.00 0.39 O ATOM 183 CB VAL A 483 3.992 -2.518 -0.648 1.00 0.23 C ATOM 184 CG1 VAL A 483 4.015 -3.626 0.388 1.00 0.29 C ATOM 185 CG2 VAL A 483 3.282 -1.291 -0.099 1.00 0.25 C ATOM 0 H VAL A 483 5.900 -0.558 0.137 1.00 0.24 H new ATOM 0 HA VAL A 483 5.939 -3.095 -1.355 1.00 0.24 H new ATOM 0 HB VAL A 483 3.438 -2.873 -1.517 1.00 0.23 H new ATOM 0 HG11 VAL A 483 2.995 -3.856 0.698 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.473 -4.517 -0.042 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.593 -3.303 1.254 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.276 -1.565 0.219 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.838 -0.900 0.753 1.00 0.25 H new ATOM 0 HG23 VAL A 483 3.222 -0.528 -0.875 1.00 0.25 H new ATOM 195 N VAL A 484 5.048 -1.856 -3.469 1.00 0.28 N ATOM 196 CA VAL A 484 4.920 -1.089 -4.688 1.00 0.31 C ATOM 197 C VAL A 484 3.484 -1.105 -5.180 1.00 0.28 C ATOM 198 O VAL A 484 2.831 -2.151 -5.255 1.00 0.29 O ATOM 199 CB VAL A 484 5.875 -1.578 -5.795 1.00 0.35 C ATOM 200 CG1 VAL A 484 7.314 -1.467 -5.332 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.562 -2.996 -6.204 1.00 0.31 C ATOM 0 H VAL A 484 4.895 -2.859 -3.578 1.00 0.28 H new ATOM 0 HA VAL A 484 5.204 -0.064 -4.450 1.00 0.31 H new ATOM 0 HB VAL A 484 5.733 -0.941 -6.668 1.00 0.35 H new ATOM 0 HG11 VAL A 484 7.979 -1.815 -6.123 1.00 0.42 H new ATOM 0 HG12 VAL A 484 7.542 -0.427 -5.098 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.458 -2.079 -4.441 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.253 -3.310 -6.986 1.00 0.31 H new ATOM 0 HG22 VAL A 484 5.666 -3.655 -5.342 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.540 -3.049 -6.580 1.00 0.31 H new ATOM 211 N HIS A 485 2.996 0.076 -5.476 1.00 0.34 N ATOM 212 CA HIS A 485 1.644 0.262 -5.963 1.00 0.29 C ATOM 213 C HIS A 485 1.696 0.630 -7.435 1.00 0.24 C ATOM 214 O HIS A 485 2.138 1.714 -7.780 1.00 0.29 O ATOM 215 CB HIS A 485 0.951 1.357 -5.134 1.00 0.36 C ATOM 216 CG HIS A 485 -0.462 1.650 -5.537 1.00 0.52 C ATOM 217 ND1 HIS A 485 -1.011 2.911 -5.470 1.00 1.09 N ATOM 218 CD2 HIS A 485 -1.448 0.839 -5.986 1.00 0.41 C ATOM 219 CE1 HIS A 485 -2.270 2.861 -5.861 1.00 1.19 C ATOM 220 NE2 HIS A 485 -2.560 1.616 -6.181 1.00 0.73 N ATOM 0 H HIS A 485 3.527 0.942 -5.386 1.00 0.34 H new ATOM 0 HA HIS A 485 1.068 -0.658 -5.858 1.00 0.29 H new ATOM 0 HB2 HIS A 485 0.961 1.060 -4.085 1.00 0.36 H new ATOM 0 HB3 HIS A 485 1.534 2.275 -5.211 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -1.372 -0.224 -6.159 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -2.949 3.699 -5.911 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -3.464 1.285 -6.518 1.00 0.73 H new ATOM 229 N LEU A 486 1.232 -0.279 -8.289 1.00 0.23 N ATOM 230 CA LEU A 486 1.358 -0.135 -9.746 1.00 0.30 C ATOM 231 C LEU A 486 0.811 1.205 -10.258 1.00 0.38 C ATOM 232 O LEU A 486 1.189 1.667 -11.332 1.00 0.52 O ATOM 233 CB LEU A 486 0.686 -1.335 -10.463 1.00 0.32 C ATOM 234 CG LEU A 486 -0.861 -1.395 -10.524 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.504 -1.073 -9.182 1.00 0.37 C ATOM 236 CD2 LEU A 486 -1.413 -0.497 -11.625 1.00 0.48 C ATOM 0 H LEU A 486 0.759 -1.134 -7.997 1.00 0.23 H new ATOM 0 HA LEU A 486 2.422 -0.136 -9.984 1.00 0.30 H new ATOM 0 HB2 LEU A 486 1.058 -1.358 -11.487 1.00 0.32 H new ATOM 0 HB3 LEU A 486 1.033 -2.247 -9.977 1.00 0.32 H new ATOM 0 HG LEU A 486 -1.123 -2.425 -10.767 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -2.589 -1.128 -9.276 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -1.167 -1.792 -8.435 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -1.217 -0.068 -8.873 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -2.501 -0.564 -11.638 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -1.116 0.535 -11.436 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -1.018 -0.818 -12.589 1.00 0.48 H new ATOM 248 N GLU A 487 -0.065 1.822 -9.482 1.00 0.38 N ATOM 249 CA GLU A 487 -0.675 3.085 -9.865 1.00 0.54 C ATOM 250 C GLU A 487 0.198 4.282 -9.485 1.00 0.55 C ATOM 251 O GLU A 487 0.344 5.216 -10.267 1.00 0.69 O ATOM 252 CB GLU A 487 -2.049 3.206 -9.213 1.00 0.64 C ATOM 253 CG GLU A 487 -3.048 2.185 -9.724 1.00 0.76 C ATOM 254 CD GLU A 487 -4.332 2.165 -8.923 1.00 1.47 C ATOM 255 OE1 GLU A 487 -5.254 2.945 -9.240 1.00 2.37 O ATOM 256 OE2 GLU A 487 -4.425 1.365 -7.968 1.00 1.85 O ATOM 0 H GLU A 487 -0.371 1.466 -8.577 1.00 0.38 H new ATOM 0 HA GLU A 487 -0.779 3.093 -10.950 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -1.943 3.092 -8.134 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -2.441 4.208 -9.390 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -3.280 2.401 -10.767 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -2.594 1.195 -9.697 1.00 0.76 H new ATOM 263 N HIS A 488 0.776 4.263 -8.286 1.00 0.44 N ATOM 264 CA HIS A 488 1.533 5.427 -7.813 1.00 0.48 C ATOM 265 C HIS A 488 3.008 5.122 -7.554 1.00 0.42 C ATOM 266 O HIS A 488 3.871 5.954 -7.833 1.00 0.52 O ATOM 267 CB HIS A 488 0.888 6.022 -6.566 1.00 0.53 C ATOM 268 CG HIS A 488 0.203 7.328 -6.833 1.00 0.71 C ATOM 269 ND1 HIS A 488 -1.163 7.488 -6.798 1.00 1.44 N ATOM 270 CD2 HIS A 488 0.711 8.546 -7.128 1.00 1.14 C ATOM 271 CE1 HIS A 488 -1.465 8.744 -7.056 1.00 1.39 C ATOM 272 NE2 HIS A 488 -0.346 9.409 -7.260 1.00 1.12 N ATOM 0 H HIS A 488 0.739 3.478 -7.636 1.00 0.44 H new ATOM 0 HA HIS A 488 1.501 6.159 -8.620 1.00 0.48 H new ATOM 0 HB2 HIS A 488 0.164 5.313 -6.163 1.00 0.53 H new ATOM 0 HB3 HIS A 488 1.651 6.167 -5.802 1.00 0.53 H new ATOM 0 HD2 HIS A 488 1.756 8.793 -7.239 1.00 1.14 H new ATOM 0 HE1 HIS A 488 -2.462 9.159 -7.094 1.00 1.39 H new ATOM 0 HE2 HIS A 488 -0.277 10.403 -7.480 1.00 1.12 H new ATOM 281 N GLY A 489 3.307 3.958 -6.998 1.00 0.37 N ATOM 282 CA GLY A 489 4.693 3.581 -6.819 1.00 0.39 C ATOM 283 C GLY A 489 4.978 3.001 -5.452 1.00 0.29 C ATOM 284 O GLY A 489 4.062 2.585 -4.742 1.00 0.25 O ATOM 0 H GLY A 489 2.624 3.275 -6.671 1.00 0.37 H new ATOM 0 HA2 GLY A 489 4.966 2.851 -7.581 1.00 0.39 H new ATOM 0 HA3 GLY A 489 5.324 4.456 -6.975 1.00 0.39 H new ATOM 288 N VAL A 490 6.254 2.971 -5.099 1.00 0.30 N ATOM 289 CA VAL A 490 6.710 2.419 -3.827 1.00 0.27 C ATOM 290 C VAL A 490 6.270 3.283 -2.642 1.00 0.21 C ATOM 291 O VAL A 490 6.324 4.516 -2.696 1.00 0.23 O ATOM 292 CB VAL A 490 8.250 2.265 -3.830 1.00 0.34 C ATOM 293 CG1 VAL A 490 8.925 3.585 -4.153 1.00 0.94 C ATOM 294 CG2 VAL A 490 8.760 1.726 -2.503 1.00 1.06 C ATOM 0 H VAL A 490 7.007 3.329 -5.687 1.00 0.30 H new ATOM 0 HA VAL A 490 6.250 1.438 -3.711 1.00 0.27 H new ATOM 0 HB VAL A 490 8.502 1.543 -4.607 1.00 0.34 H new ATOM 0 HG11 VAL A 490 10.007 3.451 -4.149 1.00 0.94 H new ATOM 0 HG12 VAL A 490 8.605 3.926 -5.138 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.649 4.328 -3.405 1.00 0.94 H new ATOM 0 HG21 VAL A 490 9.845 1.631 -2.542 1.00 1.06 H new ATOM 0 HG22 VAL A 490 8.484 2.412 -1.702 1.00 1.06 H new ATOM 0 HG23 VAL A 490 8.317 0.749 -2.313 1.00 1.06 H new ATOM 304 N GLY A 491 5.832 2.619 -1.579 1.00 0.18 N ATOM 305 CA GLY A 491 5.401 3.307 -0.378 1.00 0.18 C ATOM 306 C GLY A 491 5.544 2.429 0.849 1.00 0.16 C ATOM 307 O GLY A 491 6.022 1.297 0.757 1.00 0.16 O ATOM 0 H GLY A 491 5.768 1.602 -1.529 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.990 4.215 -0.247 1.00 0.18 H new ATOM 0 HA3 GLY A 491 4.361 3.614 -0.487 1.00 0.18 H new ATOM 311 N ARG A 492 5.116 2.936 1.998 1.00 0.17 N ATOM 312 CA ARG A 492 5.191 2.180 3.241 1.00 0.17 C ATOM 313 C ARG A 492 3.802 1.730 3.664 1.00 0.14 C ATOM 314 O ARG A 492 2.969 2.555 4.043 1.00 0.18 O ATOM 315 CB ARG A 492 5.820 3.029 4.345 1.00 0.24 C ATOM 316 CG ARG A 492 7.285 3.350 4.106 1.00 0.37 C ATOM 317 CD ARG A 492 8.148 2.101 4.204 1.00 0.44 C ATOM 318 NE ARG A 492 9.572 2.411 4.115 1.00 0.98 N ATOM 319 CZ ARG A 492 10.531 1.708 4.718 1.00 1.21 C ATOM 320 NH1 ARG A 492 10.233 0.643 5.450 1.00 1.35 N ATOM 321 NH2 ARG A 492 11.796 2.076 4.595 1.00 1.93 N ATOM 0 H ARG A 492 4.713 3.868 2.095 1.00 0.17 H new ATOM 0 HA ARG A 492 5.815 1.302 3.075 1.00 0.17 H new ATOM 0 HB2 ARG A 492 5.263 3.961 4.437 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.722 2.504 5.295 1.00 0.24 H new ATOM 0 HG2 ARG A 492 7.405 3.801 3.121 1.00 0.37 H new ATOM 0 HG3 ARG A 492 7.622 4.086 4.836 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.946 1.594 5.147 1.00 0.44 H new ATOM 0 HD3 ARG A 492 7.877 1.410 3.406 1.00 0.44 H new ATOM 0 HE ARG A 492 9.851 3.217 3.556 1.00 0.98 H new ATOM 0 HH11 ARG A 492 9.261 0.353 5.557 1.00 1.35 H new ATOM 0 HH12 ARG A 492 10.976 0.114 5.906 1.00 1.35 H new ATOM 0 HH21 ARG A 492 12.037 2.897 4.039 1.00 1.93 H new ATOM 0 HH22 ARG A 492 12.531 1.539 5.056 1.00 1.93 H new ATOM 335 N TYR A 493 3.544 0.431 3.540 1.00 0.15 N ATOM 336 CA TYR A 493 2.260 -0.147 3.927 1.00 0.14 C ATOM 337 C TYR A 493 1.864 0.288 5.326 1.00 0.14 C ATOM 338 O TYR A 493 2.604 0.056 6.283 1.00 0.15 O ATOM 339 CB TYR A 493 2.320 -1.672 3.889 1.00 0.15 C ATOM 340 CG TYR A 493 1.021 -2.328 4.306 1.00 0.15 C ATOM 341 CD1 TYR A 493 0.937 -3.047 5.490 1.00 1.14 C ATOM 342 CD2 TYR A 493 -0.120 -2.218 3.522 1.00 1.21 C ATOM 343 CE1 TYR A 493 -0.244 -3.644 5.878 1.00 1.15 C ATOM 344 CE2 TYR A 493 -1.308 -2.811 3.904 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.363 -3.524 5.085 1.00 0.19 C ATOM 346 OH TYR A 493 -2.538 -4.128 5.469 1.00 0.23 O ATOM 0 H TYR A 493 4.212 -0.246 3.172 1.00 0.15 H new ATOM 0 HA TYR A 493 1.517 0.210 3.214 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.575 -1.995 2.880 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.120 -2.015 4.545 1.00 0.15 H new ATOM 0 HD1 TYR A 493 1.811 -3.141 6.118 1.00 1.14 H new ATOM 0 HD2 TYR A 493 -0.078 -1.660 2.598 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -0.291 -4.204 6.801 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -2.187 -2.718 3.283 1.00 1.21 H new ATOM 0 HH TYR A 493 -2.640 -4.057 6.441 1.00 0.23 H new ATOM 356 N ALA A 494 0.706 0.909 5.453 1.00 0.18 N ATOM 357 CA ALA A 494 0.254 1.325 6.774 1.00 0.21 C ATOM 358 C ALA A 494 -1.134 0.798 7.097 1.00 0.21 C ATOM 359 O ALA A 494 -2.132 1.439 6.792 1.00 0.22 O ATOM 360 CB ALA A 494 0.266 2.839 6.879 1.00 0.25 C ATOM 0 H ALA A 494 0.075 1.133 4.684 1.00 0.18 H new ATOM 0 HA ALA A 494 0.946 0.900 7.501 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.074 3.138 7.871 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.279 3.207 6.716 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.399 3.261 6.125 1.00 0.25 H new ATOM 366 N GLY A 495 -1.175 -0.333 7.787 1.00 0.22 N ATOM 367 CA GLY A 495 -2.429 -0.904 8.253 1.00 0.23 C ATOM 368 C GLY A 495 -3.500 -1.019 7.179 1.00 0.21 C ATOM 369 O GLY A 495 -3.206 -1.121 5.985 1.00 0.21 O ATOM 0 H GLY A 495 -0.348 -0.876 8.037 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.234 -1.895 8.663 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -2.813 -0.292 9.069 1.00 0.23 H new ATOM 373 N MET A 496 -4.746 -0.989 7.618 1.00 0.22 N ATOM 374 CA MET A 496 -5.892 -1.110 6.728 1.00 0.21 C ATOM 375 C MET A 496 -7.040 -0.245 7.207 1.00 0.22 C ATOM 376 O MET A 496 -7.162 0.045 8.397 1.00 0.27 O ATOM 377 CB MET A 496 -6.358 -2.562 6.619 1.00 0.23 C ATOM 378 CG MET A 496 -5.577 -3.372 5.603 1.00 0.22 C ATOM 379 SD MET A 496 -6.056 -5.110 5.565 1.00 0.33 S ATOM 380 CE MET A 496 -7.783 -4.964 5.110 1.00 1.68 C ATOM 0 H MET A 496 -4.994 -0.880 8.601 1.00 0.22 H new ATOM 0 HA MET A 496 -5.575 -0.770 5.742 1.00 0.21 H new ATOM 0 HB2 MET A 496 -6.271 -3.038 7.596 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.414 -2.577 6.350 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.722 -2.939 4.613 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.513 -3.299 5.829 1.00 0.22 H new ATOM 0 HE1 MET A 496 -8.143 -5.922 4.736 1.00 1.68 H new ATOM 0 HE2 MET A 496 -8.366 -4.673 5.984 1.00 1.68 H new ATOM 0 HE3 MET A 496 -7.892 -4.207 4.333 1.00 1.68 H new ATOM 390 N THR A 497 -7.863 0.168 6.269 1.00 0.20 N ATOM 391 CA THR A 497 -9.008 1.010 6.559 1.00 0.22 C ATOM 392 C THR A 497 -10.250 0.480 5.838 1.00 0.22 C ATOM 393 O THR A 497 -10.161 0.007 4.709 1.00 0.20 O ATOM 394 CB THR A 497 -8.719 2.473 6.150 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.853 3.311 6.405 1.00 0.31 O ATOM 396 CG2 THR A 497 -8.327 2.566 4.681 1.00 0.24 C ATOM 0 H THR A 497 -7.759 -0.069 5.282 1.00 0.20 H new ATOM 0 HA THR A 497 -9.197 0.988 7.632 1.00 0.22 H new ATOM 0 HB THR A 497 -7.882 2.821 6.756 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.646 4.231 6.140 1.00 0.31 H new ATOM 0 HG21 THR A 497 -8.130 3.606 4.422 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.430 1.972 4.505 1.00 0.24 H new ATOM 0 HG23 THR A 497 -9.140 2.186 4.063 1.00 0.24 H new ATOM 404 N THR A 498 -11.401 0.537 6.488 1.00 0.28 N ATOM 405 CA THR A 498 -12.635 0.088 5.865 1.00 0.29 C ATOM 406 C THR A 498 -13.382 1.253 5.228 1.00 0.29 C ATOM 407 O THR A 498 -13.532 2.316 5.836 1.00 0.36 O ATOM 408 CB THR A 498 -13.549 -0.618 6.879 1.00 0.36 C ATOM 409 OG1 THR A 498 -13.299 -0.114 8.199 1.00 0.84 O ATOM 410 CG2 THR A 498 -13.336 -2.124 6.848 1.00 0.67 C ATOM 0 H THR A 498 -11.507 0.887 7.440 1.00 0.28 H new ATOM 0 HA THR A 498 -12.361 -0.625 5.087 1.00 0.29 H new ATOM 0 HB THR A 498 -14.584 -0.414 6.606 1.00 0.36 H new ATOM 0 HG1 THR A 498 -13.886 -0.568 8.839 1.00 0.84 H new ATOM 0 HG21 THR A 498 -13.995 -2.600 7.575 1.00 0.67 H new ATOM 0 HG22 THR A 498 -13.562 -2.503 5.851 1.00 0.67 H new ATOM 0 HG23 THR A 498 -12.299 -2.350 7.096 1.00 0.67 H new ATOM 418 N LEU A 499 -13.849 1.048 4.002 1.00 0.27 N ATOM 419 CA LEU A 499 -14.578 2.078 3.275 1.00 0.31 C ATOM 420 C LEU A 499 -15.901 1.522 2.761 1.00 0.34 C ATOM 421 O LEU A 499 -16.015 0.327 2.474 1.00 0.39 O ATOM 422 CB LEU A 499 -13.752 2.603 2.093 1.00 0.32 C ATOM 423 CG LEU A 499 -12.394 3.224 2.448 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.665 3.658 1.186 1.00 0.34 C ATOM 425 CD2 LEU A 499 -12.570 4.406 3.389 1.00 0.39 C ATOM 0 H LEU A 499 -13.735 0.174 3.489 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.771 2.902 3.962 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.583 1.780 1.399 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.344 3.350 1.564 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.795 2.468 2.956 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.704 4.097 1.454 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.503 2.792 0.544 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -12.265 4.397 0.655 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -11.594 4.830 3.627 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -13.188 5.165 2.909 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -13.054 4.072 4.307 1.00 0.39 H new ATOM 437 N GLU A 500 -16.896 2.388 2.655 1.00 0.54 N ATOM 438 CA GLU A 500 -18.193 1.997 2.128 1.00 0.62 C ATOM 439 C GLU A 500 -18.477 2.731 0.826 1.00 0.79 C ATOM 440 O GLU A 500 -18.570 3.959 0.801 1.00 0.99 O ATOM 441 CB GLU A 500 -19.299 2.279 3.149 1.00 0.80 C ATOM 442 CG GLU A 500 -19.185 1.443 4.413 1.00 1.25 C ATOM 443 CD GLU A 500 -20.350 1.651 5.354 1.00 1.63 C ATOM 444 OE1 GLU A 500 -20.200 2.391 6.347 1.00 2.04 O ATOM 445 OE2 GLU A 500 -21.426 1.065 5.111 1.00 2.21 O ATOM 0 H GLU A 500 -16.830 3.369 2.928 1.00 0.54 H new ATOM 0 HA GLU A 500 -18.174 0.925 1.929 1.00 0.62 H new ATOM 0 HB2 GLU A 500 -19.274 3.335 3.418 1.00 0.80 H new ATOM 0 HB3 GLU A 500 -20.267 2.091 2.685 1.00 0.80 H new ATOM 0 HG2 GLU A 500 -19.125 0.389 4.143 1.00 1.25 H new ATOM 0 HG3 GLU A 500 -18.258 1.694 4.928 1.00 1.25 H new ATOM 452 N ALA A 501 -18.601 1.978 -0.257 1.00 0.93 N ATOM 453 CA ALA A 501 -18.840 2.556 -1.565 1.00 1.17 C ATOM 454 C ALA A 501 -20.272 2.288 -2.008 1.00 1.28 C ATOM 455 O ALA A 501 -20.967 1.459 -1.416 1.00 1.32 O ATOM 456 CB ALA A 501 -17.856 1.975 -2.563 1.00 1.29 C ATOM 0 H ALA A 501 -18.539 0.960 -0.252 1.00 0.93 H new ATOM 0 HA ALA A 501 -18.697 3.635 -1.513 1.00 1.17 H new ATOM 0 HB1 ALA A 501 -18.036 2.410 -3.546 1.00 1.29 H new ATOM 0 HB2 ALA A 501 -16.838 2.203 -2.246 1.00 1.29 H new ATOM 0 HB3 ALA A 501 -17.986 0.894 -2.615 1.00 1.29 H new ATOM 462 N GLY A 502 -20.706 2.992 -3.045 1.00 1.50 N ATOM 463 CA GLY A 502 -22.055 2.833 -3.550 1.00 1.65 C ATOM 464 C GLY A 502 -22.233 1.535 -4.304 1.00 1.94 C ATOM 465 O GLY A 502 -22.228 1.513 -5.537 1.00 2.51 O ATOM 0 H GLY A 502 -20.142 3.676 -3.549 1.00 1.50 H new ATOM 0 HA2 GLY A 502 -22.759 2.868 -2.718 1.00 1.65 H new ATOM 0 HA3 GLY A 502 -22.296 3.669 -4.207 1.00 1.65 H new ATOM 469 N GLY A 503 -22.366 0.449 -3.563 1.00 1.76 N ATOM 470 CA GLY A 503 -22.542 -0.851 -4.166 1.00 2.10 C ATOM 471 C GLY A 503 -21.634 -1.885 -3.540 1.00 1.94 C ATOM 472 O GLY A 503 -22.088 -2.950 -3.121 1.00 2.03 O ATOM 0 H GLY A 503 -22.355 0.446 -2.543 1.00 1.76 H new ATOM 0 HA2 GLY A 503 -23.580 -1.165 -4.058 1.00 2.10 H new ATOM 0 HA3 GLY A 503 -22.338 -0.787 -5.235 1.00 2.10 H new ATOM 476 N ILE A 504 -20.353 -1.559 -3.443 1.00 1.77 N ATOM 477 CA ILE A 504 -19.371 -2.485 -2.905 1.00 1.65 C ATOM 478 C ILE A 504 -18.786 -1.946 -1.614 1.00 1.24 C ATOM 479 O ILE A 504 -18.169 -0.884 -1.595 1.00 1.16 O ATOM 480 CB ILE A 504 -18.227 -2.753 -3.908 1.00 1.91 C ATOM 481 CG1 ILE A 504 -18.772 -3.424 -5.172 1.00 2.34 C ATOM 482 CG2 ILE A 504 -17.142 -3.613 -3.269 1.00 1.84 C ATOM 483 CD1 ILE A 504 -17.713 -3.704 -6.216 1.00 2.42 C ATOM 0 H ILE A 504 -19.971 -0.658 -3.731 1.00 1.77 H new ATOM 0 HA ILE A 504 -19.888 -3.425 -2.712 1.00 1.65 H new ATOM 0 HB ILE A 504 -17.783 -1.798 -4.188 1.00 1.91 H new ATOM 0 HG12 ILE A 504 -19.254 -4.362 -4.896 1.00 2.34 H new ATOM 0 HG13 ILE A 504 -19.541 -2.786 -5.609 1.00 2.34 H new ATOM 0 HG21 ILE A 504 -16.346 -3.790 -3.992 1.00 1.84 H new ATOM 0 HG22 ILE A 504 -16.735 -3.098 -2.399 1.00 1.84 H new ATOM 0 HG23 ILE A 504 -17.569 -4.567 -2.959 1.00 1.84 H new ATOM 0 HD11 ILE A 504 -18.173 -4.180 -7.082 1.00 2.42 H new ATOM 0 HD12 ILE A 504 -17.246 -2.767 -6.521 1.00 2.42 H new ATOM 0 HD13 ILE A 504 -16.956 -4.367 -5.797 1.00 2.42 H new ATOM 495 N THR A 505 -18.999 -2.663 -0.534 1.00 1.06 N ATOM 496 CA THR A 505 -18.447 -2.274 0.744 1.00 0.72 C ATOM 497 C THR A 505 -17.537 -3.375 1.269 1.00 0.65 C ATOM 498 O THR A 505 -17.923 -4.547 1.295 1.00 0.91 O ATOM 499 CB THR A 505 -19.567 -1.976 1.758 1.00 0.78 C ATOM 500 OG1 THR A 505 -20.400 -3.133 1.927 1.00 1.05 O ATOM 501 CG2 THR A 505 -20.424 -0.809 1.294 1.00 0.91 C ATOM 0 H THR A 505 -19.552 -3.520 -0.515 1.00 1.06 H new ATOM 0 HA THR A 505 -17.864 -1.363 0.608 1.00 0.72 H new ATOM 0 HB THR A 505 -19.099 -1.716 2.708 1.00 0.78 H new ATOM 0 HG1 THR A 505 -19.862 -3.944 1.808 1.00 1.05 H new ATOM 0 HG21 THR A 505 -21.208 -0.619 2.027 1.00 0.91 H new ATOM 0 HG22 THR A 505 -19.802 0.080 1.189 1.00 0.91 H new ATOM 0 HG23 THR A 505 -20.878 -1.050 0.333 1.00 0.91 H new ATOM 509 N GLY A 506 -16.323 -3.012 1.660 1.00 0.48 N ATOM 510 CA GLY A 506 -15.375 -4.012 2.102 1.00 0.58 C ATOM 511 C GLY A 506 -14.189 -3.420 2.822 1.00 0.45 C ATOM 512 O GLY A 506 -14.270 -2.324 3.384 1.00 0.43 O ATOM 0 H GLY A 506 -15.981 -2.051 1.679 1.00 0.48 H new ATOM 0 HA2 GLY A 506 -15.880 -4.717 2.763 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -15.024 -4.579 1.240 1.00 0.58 H new ATOM 516 N GLU A 507 -13.089 -4.152 2.804 1.00 0.41 N ATOM 517 CA GLU A 507 -11.867 -3.724 3.461 1.00 0.34 C ATOM 518 C GLU A 507 -10.912 -3.115 2.451 1.00 0.27 C ATOM 519 O GLU A 507 -10.868 -3.529 1.292 1.00 0.30 O ATOM 520 CB GLU A 507 -11.181 -4.894 4.166 1.00 0.42 C ATOM 521 CG GLU A 507 -11.948 -5.457 5.354 1.00 0.56 C ATOM 522 CD GLU A 507 -13.188 -6.222 4.947 1.00 0.78 C ATOM 523 OE1 GLU A 507 -13.050 -7.327 4.379 1.00 1.27 O ATOM 524 OE2 GLU A 507 -14.307 -5.734 5.202 1.00 1.63 O ATOM 0 H GLU A 507 -13.018 -5.055 2.336 1.00 0.41 H new ATOM 0 HA GLU A 507 -12.135 -2.976 4.207 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -11.021 -5.693 3.442 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -10.198 -4.570 4.506 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -11.292 -6.115 5.924 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -12.233 -4.639 6.016 1.00 0.56 H new ATOM 531 N TYR A 508 -10.155 -2.126 2.890 1.00 0.21 N ATOM 532 CA TYR A 508 -9.215 -1.446 2.022 1.00 0.17 C ATOM 533 C TYR A 508 -7.870 -1.304 2.699 1.00 0.15 C ATOM 534 O TYR A 508 -7.757 -1.265 3.922 1.00 0.21 O ATOM 535 CB TYR A 508 -9.754 -0.070 1.609 1.00 0.19 C ATOM 536 CG TYR A 508 -11.007 -0.140 0.761 1.00 0.26 C ATOM 537 CD1 TYR A 508 -12.234 -0.448 1.331 1.00 1.05 C ATOM 538 CD2 TYR A 508 -10.960 0.086 -0.607 1.00 1.38 C ATOM 539 CE1 TYR A 508 -13.378 -0.528 0.567 1.00 1.02 C ATOM 540 CE2 TYR A 508 -12.101 0.012 -1.380 1.00 1.45 C ATOM 541 CZ TYR A 508 -13.308 -0.296 -0.790 1.00 0.45 C ATOM 542 OH TYR A 508 -14.445 -0.377 -1.560 1.00 0.54 O ATOM 0 H TYR A 508 -10.174 -1.775 3.848 1.00 0.21 H new ATOM 0 HA TYR A 508 -9.087 -2.049 1.123 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.964 0.513 2.506 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.980 0.463 1.056 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -12.294 -0.629 2.394 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -10.016 0.324 -1.074 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -14.324 -0.771 1.029 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -12.048 0.195 -2.443 1.00 1.45 H new ATOM 0 HH TYR A 508 -14.222 -0.184 -2.495 1.00 0.54 H new ATOM 552 N LEU A 509 -6.862 -1.252 1.873 1.00 0.19 N ATOM 553 CA LEU A 509 -5.495 -1.154 2.296 1.00 0.26 C ATOM 554 C LEU A 509 -5.116 0.304 2.465 1.00 0.21 C ATOM 555 O LEU A 509 -5.557 1.155 1.694 1.00 0.19 O ATOM 556 CB LEU A 509 -4.643 -1.854 1.234 1.00 0.43 C ATOM 557 CG LEU A 509 -3.164 -1.503 1.168 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.415 -2.649 0.513 1.00 0.98 C ATOM 559 CD2 LEU A 509 -2.957 -0.226 0.368 1.00 1.06 C ATOM 0 H LEU A 509 -6.973 -1.277 0.859 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.334 -1.634 3.261 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -4.725 -2.929 1.393 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -5.082 -1.642 0.259 1.00 0.43 H new ATOM 0 HG LEU A 509 -2.786 -1.342 2.177 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -1.353 -2.407 0.461 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -2.552 -3.556 1.101 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.801 -2.808 -0.494 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -1.894 0.011 0.330 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -3.334 -0.366 -0.645 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.495 0.593 0.845 1.00 1.06 H new ATOM 571 N MET A 510 -4.316 0.589 3.473 1.00 0.22 N ATOM 572 CA MET A 510 -3.835 1.935 3.690 1.00 0.21 C ATOM 573 C MET A 510 -2.326 1.981 3.491 1.00 0.17 C ATOM 574 O MET A 510 -1.591 1.154 4.023 1.00 0.23 O ATOM 575 CB MET A 510 -4.205 2.416 5.091 1.00 0.27 C ATOM 576 CG MET A 510 -4.925 3.753 5.119 1.00 0.31 C ATOM 577 SD MET A 510 -5.174 4.360 6.798 1.00 0.50 S ATOM 578 CE MET A 510 -6.108 5.853 6.488 1.00 1.53 C ATOM 0 H MET A 510 -3.986 -0.095 4.154 1.00 0.22 H new ATOM 0 HA MET A 510 -4.307 2.600 2.967 1.00 0.21 H new ATOM 0 HB2 MET A 510 -4.837 1.665 5.566 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.297 2.492 5.689 1.00 0.27 H new ATOM 0 HG2 MET A 510 -4.350 4.485 4.552 1.00 0.31 H new ATOM 0 HG3 MET A 510 -5.891 3.654 4.624 1.00 0.31 H new ATOM 0 HE1 MET A 510 -5.950 6.557 7.305 1.00 1.53 H new ATOM 0 HE2 MET A 510 -5.776 6.302 5.552 1.00 1.53 H new ATOM 0 HE3 MET A 510 -7.168 5.611 6.418 1.00 1.53 H new ATOM 588 N LEU A 511 -1.880 2.908 2.675 1.00 0.15 N ATOM 589 CA LEU A 511 -0.456 3.127 2.457 1.00 0.13 C ATOM 590 C LEU A 511 -0.051 4.494 2.976 1.00 0.14 C ATOM 591 O LEU A 511 -0.875 5.409 3.028 1.00 0.20 O ATOM 592 CB LEU A 511 -0.139 3.048 0.965 1.00 0.17 C ATOM 593 CG LEU A 511 0.742 1.890 0.508 1.00 0.21 C ATOM 594 CD1 LEU A 511 2.158 2.044 0.991 1.00 0.83 C ATOM 595 CD2 LEU A 511 0.153 0.566 0.925 1.00 0.69 C ATOM 0 H LEU A 511 -2.485 3.533 2.142 1.00 0.15 H new ATOM 0 HA LEU A 511 0.099 2.356 2.992 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.081 2.993 0.420 1.00 0.17 H new ATOM 0 HB3 LEU A 511 0.345 3.979 0.671 1.00 0.17 H new ATOM 0 HG LEU A 511 0.775 1.910 -0.581 1.00 0.21 H new ATOM 0 HD11 LEU A 511 2.754 1.200 0.645 1.00 0.83 H new ATOM 0 HD12 LEU A 511 2.578 2.970 0.598 1.00 0.83 H new ATOM 0 HD13 LEU A 511 2.170 2.074 2.081 1.00 0.83 H new ATOM 0 HD21 LEU A 511 0.801 -0.243 0.587 1.00 0.69 H new ATOM 0 HD22 LEU A 511 0.067 0.532 2.011 1.00 0.69 H new ATOM 0 HD23 LEU A 511 -0.835 0.451 0.479 1.00 0.69 H new ATOM 607 N THR A 512 1.210 4.639 3.349 1.00 0.15 N ATOM 608 CA THR A 512 1.731 5.938 3.723 1.00 0.19 C ATOM 609 C THR A 512 2.839 6.357 2.779 1.00 0.16 C ATOM 610 O THR A 512 3.812 5.627 2.571 1.00 0.21 O ATOM 611 CB THR A 512 2.243 5.995 5.177 1.00 0.28 C ATOM 612 OG1 THR A 512 2.893 4.769 5.543 1.00 0.58 O ATOM 613 CG2 THR A 512 1.102 6.291 6.133 1.00 0.55 C ATOM 0 H THR A 512 1.886 3.877 3.400 1.00 0.15 H new ATOM 0 HA THR A 512 0.894 6.632 3.650 1.00 0.19 H new ATOM 0 HB THR A 512 2.973 6.801 5.244 1.00 0.28 H new ATOM 0 HG1 THR A 512 3.131 4.271 4.733 1.00 0.58 H new ATOM 0 HG21 THR A 512 1.483 6.327 7.154 1.00 0.55 H new ATOM 0 HG22 THR A 512 0.654 7.251 5.878 1.00 0.55 H new ATOM 0 HG23 THR A 512 0.349 5.507 6.054 1.00 0.55 H new ATOM 621 N TYR A 513 2.655 7.516 2.182 1.00 0.16 N ATOM 622 CA TYR A 513 3.644 8.096 1.298 1.00 0.19 C ATOM 623 C TYR A 513 4.215 9.354 1.934 1.00 0.24 C ATOM 624 O TYR A 513 3.958 9.619 3.111 1.00 0.27 O ATOM 625 CB TYR A 513 3.024 8.420 -0.064 1.00 0.21 C ATOM 626 CG TYR A 513 2.763 7.212 -0.939 1.00 0.19 C ATOM 627 CD1 TYR A 513 1.674 6.383 -0.715 1.00 1.10 C ATOM 628 CD2 TYR A 513 3.602 6.913 -2.002 1.00 1.12 C ATOM 629 CE1 TYR A 513 1.431 5.292 -1.527 1.00 1.08 C ATOM 630 CE2 TYR A 513 3.368 5.822 -2.816 1.00 1.16 C ATOM 631 CZ TYR A 513 2.281 5.016 -2.576 1.00 0.24 C ATOM 632 OH TYR A 513 2.039 3.932 -3.394 1.00 0.28 O ATOM 0 H TYR A 513 1.815 8.083 2.296 1.00 0.16 H new ATOM 0 HA TYR A 513 4.448 7.376 1.141 1.00 0.19 H new ATOM 0 HB2 TYR A 513 2.083 8.947 0.095 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.686 9.103 -0.597 1.00 0.21 H new ATOM 0 HD1 TYR A 513 1.006 6.594 0.107 1.00 1.10 H new ATOM 0 HD2 TYR A 513 4.455 7.546 -2.197 1.00 1.12 H new ATOM 0 HE1 TYR A 513 0.577 4.657 -1.340 1.00 1.08 H new ATOM 0 HE2 TYR A 513 4.035 5.604 -3.636 1.00 1.16 H new ATOM 0 HH TYR A 513 2.884 3.617 -3.778 1.00 0.28 H new ATOM 642 N ALA A 514 4.978 10.121 1.169 1.00 0.28 N ATOM 643 CA ALA A 514 5.565 11.358 1.667 1.00 0.33 C ATOM 644 C ALA A 514 4.497 12.292 2.221 1.00 0.31 C ATOM 645 O ALA A 514 3.379 12.345 1.703 1.00 0.31 O ATOM 646 CB ALA A 514 6.341 12.055 0.567 1.00 0.43 C ATOM 0 H ALA A 514 5.206 9.908 0.198 1.00 0.28 H new ATOM 0 HA ALA A 514 6.247 11.100 2.477 1.00 0.33 H new ATOM 0 HB1 ALA A 514 6.773 12.977 0.955 1.00 0.43 H new ATOM 0 HB2 ALA A 514 7.138 11.401 0.214 1.00 0.43 H new ATOM 0 HB3 ALA A 514 5.670 12.288 -0.260 1.00 0.43 H new ATOM 652 N ASN A 515 4.853 13.015 3.280 1.00 0.36 N ATOM 653 CA ASN A 515 3.950 13.974 3.916 1.00 0.40 C ATOM 654 C ASN A 515 2.742 13.270 4.528 1.00 0.39 C ATOM 655 O ASN A 515 1.646 13.835 4.582 1.00 0.44 O ATOM 656 CB ASN A 515 3.488 15.042 2.913 1.00 0.43 C ATOM 657 CG ASN A 515 4.604 15.981 2.500 1.00 1.29 C ATOM 658 OD1 ASN A 515 5.328 15.724 1.538 1.00 2.26 O ATOM 659 ND2 ASN A 515 4.748 17.083 3.218 1.00 1.69 N ATOM 0 H ASN A 515 5.771 12.954 3.721 1.00 0.36 H new ATOM 0 HA ASN A 515 4.503 14.465 4.716 1.00 0.40 H new ATOM 0 HB2 ASN A 515 3.085 14.552 2.027 1.00 0.43 H new ATOM 0 HB3 ASN A 515 2.676 15.621 3.354 1.00 0.43 H new ATOM 0 HD21 ASN A 515 5.479 17.754 2.981 1.00 1.69 H new ATOM 0 HD22 ASN A 515 4.128 17.261 4.008 1.00 1.69 H new ATOM 666 N ASP A 516 2.959 12.031 4.979 1.00 0.36 N ATOM 667 CA ASP A 516 1.918 11.222 5.622 1.00 0.37 C ATOM 668 C ASP A 516 0.671 11.148 4.744 1.00 0.34 C ATOM 669 O ASP A 516 -0.459 11.322 5.206 1.00 0.41 O ATOM 670 CB ASP A 516 1.579 11.780 7.012 1.00 0.45 C ATOM 671 CG ASP A 516 0.682 10.861 7.821 1.00 0.89 C ATOM 672 OD1 ASP A 516 -0.345 11.338 8.352 1.00 1.60 O ATOM 673 OD2 ASP A 516 1.004 9.661 7.944 1.00 1.62 O ATOM 0 H ASP A 516 3.861 11.560 4.909 1.00 0.36 H new ATOM 0 HA ASP A 516 2.301 10.209 5.749 1.00 0.37 H new ATOM 0 HB2 ASP A 516 2.504 11.952 7.563 1.00 0.45 H new ATOM 0 HB3 ASP A 516 1.090 12.748 6.899 1.00 0.45 H new ATOM 678 N ALA A 517 0.887 10.913 3.463 1.00 0.31 N ATOM 679 CA ALA A 517 -0.209 10.794 2.519 1.00 0.30 C ATOM 680 C ALA A 517 -0.801 9.394 2.579 1.00 0.25 C ATOM 681 O ALA A 517 -0.068 8.405 2.574 1.00 0.23 O ATOM 682 CB ALA A 517 0.264 11.123 1.116 1.00 0.32 C ATOM 0 H ALA A 517 1.814 10.801 3.052 1.00 0.31 H new ATOM 0 HA ALA A 517 -0.987 11.508 2.789 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.569 11.029 0.420 1.00 0.32 H new ATOM 0 HB2 ALA A 517 0.645 12.144 1.091 1.00 0.32 H new ATOM 0 HB3 ALA A 517 1.057 10.433 0.828 1.00 0.32 H new ATOM 688 N LYS A 518 -2.123 9.314 2.636 1.00 0.28 N ATOM 689 CA LYS A 518 -2.800 8.040 2.830 1.00 0.28 C ATOM 690 C LYS A 518 -3.354 7.502 1.515 1.00 0.24 C ATOM 691 O LYS A 518 -4.139 8.165 0.839 1.00 0.38 O ATOM 692 CB LYS A 518 -3.930 8.190 3.851 1.00 0.41 C ATOM 693 CG LYS A 518 -3.465 8.702 5.208 1.00 0.56 C ATOM 694 CD LYS A 518 -2.502 7.735 5.875 1.00 0.64 C ATOM 695 CE LYS A 518 -1.975 8.288 7.191 1.00 0.99 C ATOM 696 NZ LYS A 518 -3.063 8.525 8.179 1.00 1.55 N ATOM 0 H LYS A 518 -2.748 10.116 2.551 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.068 7.326 3.208 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -4.680 8.873 3.452 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -4.418 7.224 3.985 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -2.981 9.671 5.085 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -4.329 8.858 5.854 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -3.005 6.785 6.054 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -1.667 7.532 5.205 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -1.251 7.591 7.612 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -1.446 9.223 7.004 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -2.648 8.755 9.104 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -3.656 9.318 7.859 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -3.647 7.669 8.265 1.00 1.55 H new ATOM 710 N LEU A 519 -2.924 6.302 1.164 1.00 0.16 N ATOM 711 CA LEU A 519 -3.399 5.622 -0.034 1.00 0.15 C ATOM 712 C LEU A 519 -4.378 4.517 0.343 1.00 0.14 C ATOM 713 O LEU A 519 -4.137 3.769 1.286 1.00 0.21 O ATOM 714 CB LEU A 519 -2.202 5.049 -0.813 1.00 0.20 C ATOM 715 CG LEU A 519 -2.487 3.830 -1.705 1.00 0.25 C ATOM 716 CD1 LEU A 519 -3.495 4.174 -2.792 1.00 0.89 C ATOM 717 CD2 LEU A 519 -1.206 3.319 -2.333 1.00 0.72 C ATOM 0 H LEU A 519 -2.237 5.771 1.699 1.00 0.16 H new ATOM 0 HA LEU A 519 -3.921 6.336 -0.671 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.791 5.841 -1.439 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.428 4.774 -0.096 1.00 0.20 H new ATOM 0 HG LEU A 519 -2.910 3.047 -1.075 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -3.679 3.295 -3.409 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -4.429 4.497 -2.333 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -3.100 4.977 -3.414 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -1.428 2.456 -2.961 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -0.760 4.106 -2.942 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -0.507 3.027 -1.549 1.00 0.72 H new ATOM 729 N TYR A 520 -5.485 4.434 -0.386 1.00 0.12 N ATOM 730 CA TYR A 520 -6.474 3.388 -0.164 1.00 0.14 C ATOM 731 C TYR A 520 -6.513 2.440 -1.355 1.00 0.16 C ATOM 732 O TYR A 520 -6.804 2.857 -2.477 1.00 0.22 O ATOM 733 CB TYR A 520 -7.865 3.990 0.041 1.00 0.19 C ATOM 734 CG TYR A 520 -7.882 5.199 0.943 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.618 5.081 2.297 1.00 0.96 C ATOM 736 CD2 TYR A 520 -8.170 6.460 0.436 1.00 1.05 C ATOM 737 CE1 TYR A 520 -7.637 6.188 3.126 1.00 0.97 C ATOM 738 CE2 TYR A 520 -8.189 7.571 1.255 1.00 1.10 C ATOM 739 CZ TYR A 520 -7.925 7.430 2.598 1.00 0.40 C ATOM 740 OH TYR A 520 -7.945 8.535 3.418 1.00 0.50 O ATOM 0 H TYR A 520 -5.720 5.081 -1.138 1.00 0.12 H new ATOM 0 HA TYR A 520 -6.187 2.840 0.733 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.277 4.267 -0.929 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.522 3.228 0.460 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -7.394 4.110 2.712 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -8.383 6.573 -0.617 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -7.428 6.081 4.180 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -8.410 8.545 0.844 1.00 1.10 H new ATOM 0 HH TYR A 520 -8.163 9.331 2.889 1.00 0.50 H new ATOM 750 N VAL A 521 -6.207 1.177 -1.118 1.00 0.17 N ATOM 751 CA VAL A 521 -6.284 0.166 -2.165 1.00 0.17 C ATOM 752 C VAL A 521 -7.287 -0.916 -1.787 1.00 0.18 C ATOM 753 O VAL A 521 -7.217 -1.477 -0.699 1.00 0.20 O ATOM 754 CB VAL A 521 -4.907 -0.486 -2.446 1.00 0.19 C ATOM 755 CG1 VAL A 521 -5.046 -1.621 -3.451 1.00 0.33 C ATOM 756 CG2 VAL A 521 -3.919 0.550 -2.957 1.00 0.28 C ATOM 0 H VAL A 521 -5.903 0.824 -0.211 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.611 0.672 -3.073 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.528 -0.896 -1.510 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -4.068 -2.066 -3.635 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.720 -2.379 -3.053 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.449 -1.232 -4.386 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -2.958 0.073 -3.149 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.297 0.989 -3.881 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -3.793 1.333 -2.209 1.00 0.28 H new ATOM 766 N PRO A 522 -8.246 -1.214 -2.670 1.00 0.19 N ATOM 767 CA PRO A 522 -9.228 -2.271 -2.429 1.00 0.22 C ATOM 768 C PRO A 522 -8.556 -3.638 -2.364 1.00 0.20 C ATOM 769 O PRO A 522 -7.657 -3.934 -3.154 1.00 0.19 O ATOM 770 CB PRO A 522 -10.164 -2.180 -3.638 1.00 0.25 C ATOM 771 CG PRO A 522 -9.368 -1.495 -4.693 1.00 0.22 C ATOM 772 CD PRO A 522 -8.438 -0.560 -3.976 1.00 0.19 C ATOM 0 HA PRO A 522 -9.750 -2.152 -1.480 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.483 -3.170 -3.965 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -11.066 -1.618 -3.397 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -8.810 -2.217 -5.290 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -10.017 -0.949 -5.378 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.495 -0.442 -4.510 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -8.871 0.435 -3.869 1.00 0.19 H new ATOM 780 N VAL A 523 -8.993 -4.467 -1.421 1.00 0.22 N ATOM 781 CA VAL A 523 -8.368 -5.769 -1.198 1.00 0.24 C ATOM 782 C VAL A 523 -8.536 -6.690 -2.403 1.00 0.25 C ATOM 783 O VAL A 523 -7.807 -7.669 -2.550 1.00 0.32 O ATOM 784 CB VAL A 523 -8.909 -6.466 0.071 1.00 0.29 C ATOM 785 CG1 VAL A 523 -8.441 -5.735 1.320 1.00 0.31 C ATOM 786 CG2 VAL A 523 -10.427 -6.554 0.044 1.00 0.30 C ATOM 0 H VAL A 523 -9.776 -4.262 -0.800 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.306 -5.573 -1.053 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.513 -7.481 0.091 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -8.831 -6.239 2.204 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -7.352 -5.734 1.354 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.805 -4.708 1.298 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -10.779 -7.049 0.949 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -10.849 -5.550 -0.008 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -10.743 -7.126 -0.828 1.00 0.30 H new ATOM 796 N SER A 524 -9.483 -6.368 -3.271 1.00 0.24 N ATOM 797 CA SER A 524 -9.686 -7.129 -4.494 1.00 0.28 C ATOM 798 C SER A 524 -8.653 -6.750 -5.557 1.00 0.28 C ATOM 799 O SER A 524 -8.517 -7.428 -6.576 1.00 0.37 O ATOM 800 CB SER A 524 -11.099 -6.894 -5.021 1.00 0.36 C ATOM 801 OG SER A 524 -12.061 -7.245 -4.042 1.00 1.34 O ATOM 0 H SER A 524 -10.124 -5.584 -3.151 1.00 0.24 H new ATOM 0 HA SER A 524 -9.559 -8.187 -4.266 1.00 0.28 H new ATOM 0 HB2 SER A 524 -11.220 -5.847 -5.299 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.259 -7.484 -5.924 1.00 0.36 H new ATOM 0 HG SER A 524 -12.961 -7.086 -4.396 1.00 1.34 H new ATOM 807 N SER A 525 -7.917 -5.675 -5.312 1.00 0.24 N ATOM 808 CA SER A 525 -6.907 -5.213 -6.253 1.00 0.25 C ATOM 809 C SER A 525 -5.505 -5.449 -5.700 1.00 0.24 C ATOM 810 O SER A 525 -4.531 -4.860 -6.169 1.00 0.27 O ATOM 811 CB SER A 525 -7.109 -3.730 -6.562 1.00 0.27 C ATOM 812 OG SER A 525 -8.422 -3.486 -7.040 1.00 0.28 O ATOM 0 H SER A 525 -8.001 -5.106 -4.469 1.00 0.24 H new ATOM 0 HA SER A 525 -7.013 -5.783 -7.176 1.00 0.25 H new ATOM 0 HB2 SER A 525 -6.929 -3.140 -5.663 1.00 0.27 H new ATOM 0 HB3 SER A 525 -6.381 -3.407 -7.306 1.00 0.27 H new ATOM 0 HG SER A 525 -8.509 -2.542 -7.290 1.00 0.28 H new ATOM 818 N LEU A 526 -5.406 -6.330 -4.708 1.00 0.25 N ATOM 819 CA LEU A 526 -4.117 -6.674 -4.116 1.00 0.26 C ATOM 820 C LEU A 526 -3.245 -7.418 -5.117 1.00 0.30 C ATOM 821 O LEU A 526 -2.026 -7.483 -4.976 1.00 0.39 O ATOM 822 CB LEU A 526 -4.312 -7.516 -2.853 1.00 0.31 C ATOM 823 CG LEU A 526 -4.888 -6.758 -1.659 1.00 0.38 C ATOM 824 CD1 LEU A 526 -5.092 -7.691 -0.474 1.00 0.51 C ATOM 825 CD2 LEU A 526 -3.980 -5.597 -1.281 1.00 0.46 C ATOM 0 H LEU A 526 -6.202 -6.818 -4.298 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.612 -5.748 -3.841 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -4.973 -8.350 -3.088 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.351 -7.942 -2.565 1.00 0.31 H new ATOM 0 HG LEU A 526 -5.861 -6.357 -1.943 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -5.503 -7.129 0.365 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -5.784 -8.486 -0.752 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -4.136 -8.127 -0.185 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -4.404 -5.066 -0.428 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -2.993 -5.978 -1.017 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -3.892 -4.914 -2.126 1.00 0.46 H new ATOM 837 N HIS A 527 -3.882 -7.957 -6.143 1.00 0.31 N ATOM 838 CA HIS A 527 -3.184 -8.643 -7.222 1.00 0.41 C ATOM 839 C HIS A 527 -2.247 -7.686 -7.963 1.00 0.44 C ATOM 840 O HIS A 527 -1.317 -8.112 -8.643 1.00 0.64 O ATOM 841 CB HIS A 527 -4.213 -9.243 -8.186 1.00 0.50 C ATOM 842 CG HIS A 527 -3.622 -10.062 -9.290 1.00 1.49 C ATOM 843 ND1 HIS A 527 -4.076 -10.012 -10.588 1.00 2.24 N ATOM 844 CD2 HIS A 527 -2.622 -10.967 -9.277 1.00 2.53 C ATOM 845 CE1 HIS A 527 -3.378 -10.850 -11.327 1.00 3.18 C ATOM 846 NE2 HIS A 527 -2.488 -11.444 -10.556 1.00 3.40 N ATOM 0 H HIS A 527 -4.896 -7.933 -6.253 1.00 0.31 H new ATOM 0 HA HIS A 527 -2.574 -9.441 -6.800 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -4.905 -9.866 -7.618 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -4.798 -8.434 -8.623 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -2.036 -11.261 -8.419 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -3.512 -11.021 -12.385 1.00 3.18 H new ATOM 0 HE2 HIS A 527 -1.811 -12.143 -10.861 1.00 3.40 H new ATOM 855 N LEU A 528 -2.493 -6.393 -7.813 1.00 0.33 N ATOM 856 CA LEU A 528 -1.696 -5.377 -8.482 1.00 0.38 C ATOM 857 C LEU A 528 -0.607 -4.834 -7.559 1.00 0.41 C ATOM 858 O LEU A 528 0.254 -4.061 -7.986 1.00 0.57 O ATOM 859 CB LEU A 528 -2.591 -4.229 -8.943 1.00 0.36 C ATOM 860 CG LEU A 528 -3.770 -4.623 -9.831 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.608 -3.399 -10.167 1.00 0.34 C ATOM 862 CD2 LEU A 528 -3.279 -5.297 -11.105 1.00 0.42 C ATOM 0 H LEU A 528 -3.243 -6.022 -7.230 1.00 0.33 H new ATOM 0 HA LEU A 528 -1.219 -5.840 -9.346 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -2.979 -3.719 -8.061 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -1.977 -3.509 -9.484 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.392 -5.333 -9.286 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.445 -3.694 -10.800 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -4.988 -2.954 -9.247 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -3.993 -2.670 -10.695 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -4.133 -5.570 -11.724 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.636 -4.610 -11.656 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.715 -6.194 -10.848 1.00 0.42 H new ATOM 874 N ILE A 529 -0.661 -5.214 -6.291 1.00 0.31 N ATOM 875 CA ILE A 529 0.324 -4.772 -5.319 1.00 0.29 C ATOM 876 C ILE A 529 1.470 -5.772 -5.229 1.00 0.31 C ATOM 877 O ILE A 529 1.254 -6.983 -5.232 1.00 0.42 O ATOM 878 CB ILE A 529 -0.319 -4.604 -3.929 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.570 -3.731 -4.037 1.00 0.32 C ATOM 880 CG2 ILE A 529 0.674 -4.005 -2.939 1.00 0.33 C ATOM 881 CD1 ILE A 529 -1.283 -2.281 -4.372 1.00 0.43 C ATOM 0 H ILE A 529 -1.380 -5.830 -5.912 1.00 0.31 H new ATOM 0 HA ILE A 529 0.712 -3.809 -5.650 1.00 0.29 H new ATOM 0 HB ILE A 529 -0.607 -5.587 -3.557 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -2.226 -4.147 -4.802 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -2.113 -3.774 -3.093 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.196 -3.896 -1.965 1.00 0.33 H new ATOM 0 HG22 ILE A 529 1.538 -4.663 -2.848 1.00 0.33 H new ATOM 0 HG23 ILE A 529 0.998 -3.027 -3.295 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -2.221 -1.729 -4.431 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.654 -1.846 -3.596 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.768 -2.224 -5.331 1.00 0.43 H new ATOM 893 N SER A 530 2.688 -5.267 -5.161 1.00 0.31 N ATOM 894 CA SER A 530 3.858 -6.113 -5.063 1.00 0.37 C ATOM 895 C SER A 530 4.765 -5.627 -3.943 1.00 0.31 C ATOM 896 O SER A 530 4.561 -4.545 -3.394 1.00 0.35 O ATOM 897 CB SER A 530 4.589 -6.122 -6.404 1.00 0.45 C ATOM 898 OG SER A 530 3.860 -6.849 -7.380 1.00 0.99 O ATOM 0 H SER A 530 2.891 -4.267 -5.172 1.00 0.31 H new ATOM 0 HA SER A 530 3.555 -7.133 -4.825 1.00 0.37 H new ATOM 0 HB2 SER A 530 4.739 -5.098 -6.746 1.00 0.45 H new ATOM 0 HB3 SER A 530 5.577 -6.565 -6.280 1.00 0.45 H new ATOM 0 HG SER A 530 4.349 -6.838 -8.229 1.00 0.99 H new ATOM 904 N ARG A 531 5.749 -6.434 -3.591 1.00 0.39 N ATOM 905 CA ARG A 531 6.640 -6.103 -2.497 1.00 0.42 C ATOM 906 C ARG A 531 7.961 -5.581 -3.038 1.00 0.36 C ATOM 907 O ARG A 531 8.471 -6.086 -4.041 1.00 0.41 O ATOM 908 CB ARG A 531 6.889 -7.329 -1.625 1.00 0.57 C ATOM 909 CG ARG A 531 7.224 -6.969 -0.193 1.00 0.54 C ATOM 910 CD ARG A 531 7.765 -8.156 0.584 1.00 0.95 C ATOM 911 NE ARG A 531 9.090 -8.559 0.113 1.00 1.31 N ATOM 912 CZ ARG A 531 10.218 -8.359 0.800 1.00 1.92 C ATOM 913 NH1 ARG A 531 10.192 -7.687 1.948 1.00 2.47 N ATOM 914 NH2 ARG A 531 11.375 -8.803 0.322 1.00 2.51 N ATOM 0 H ARG A 531 5.951 -7.323 -4.048 1.00 0.39 H new ATOM 0 HA ARG A 531 6.170 -5.328 -1.891 1.00 0.42 H new ATOM 0 HB2 ARG A 531 6.004 -7.965 -1.638 1.00 0.57 H new ATOM 0 HB3 ARG A 531 7.706 -7.912 -2.050 1.00 0.57 H new ATOM 0 HG2 ARG A 531 7.960 -6.165 -0.185 1.00 0.54 H new ATOM 0 HG3 ARG A 531 6.331 -6.589 0.303 1.00 0.54 H new ATOM 0 HD2 ARG A 531 7.818 -7.903 1.643 1.00 0.95 H new ATOM 0 HD3 ARG A 531 7.076 -8.995 0.491 1.00 0.95 H new ATOM 0 HE ARG A 531 9.157 -9.020 -0.794 1.00 1.31 H new ATOM 0 HH11 ARG A 531 9.309 -7.323 2.306 1.00 2.47 H new ATOM 0 HH12 ARG A 531 11.055 -7.536 2.470 1.00 2.47 H new ATOM 0 HH21 ARG A 531 11.402 -9.297 -0.570 1.00 2.51 H new ATOM 0 HH22 ARG A 531 12.236 -8.650 0.847 1.00 2.51 H new ATOM 928 N TYR A 532 8.504 -4.570 -2.374 1.00 0.37 N ATOM 929 CA TYR A 532 9.756 -3.969 -2.783 1.00 0.50 C ATOM 930 C TYR A 532 10.907 -4.951 -2.593 1.00 0.77 C ATOM 931 O TYR A 532 11.025 -5.584 -1.544 1.00 1.57 O ATOM 932 CB TYR A 532 10.007 -2.702 -1.970 1.00 0.57 C ATOM 933 CG TYR A 532 11.110 -1.843 -2.525 1.00 0.48 C ATOM 934 CD1 TYR A 532 10.832 -0.881 -3.479 1.00 1.43 C ATOM 935 CD2 TYR A 532 12.421 -1.996 -2.102 1.00 1.15 C ATOM 936 CE1 TYR A 532 11.833 -0.087 -4.001 1.00 1.48 C ATOM 937 CE2 TYR A 532 13.431 -1.208 -2.616 1.00 1.24 C ATOM 938 CZ TYR A 532 13.133 -0.254 -3.566 1.00 0.77 C ATOM 939 OH TYR A 532 14.136 0.537 -4.079 1.00 1.01 O ATOM 0 H TYR A 532 8.089 -4.149 -1.543 1.00 0.37 H new ATOM 0 HA TYR A 532 9.695 -3.711 -3.840 1.00 0.50 H new ATOM 0 HB2 TYR A 532 9.088 -2.118 -1.929 1.00 0.57 H new ATOM 0 HB3 TYR A 532 10.254 -2.980 -0.945 1.00 0.57 H new ATOM 0 HD1 TYR A 532 9.816 -0.749 -3.821 1.00 1.43 H new ATOM 0 HD2 TYR A 532 12.656 -2.743 -1.359 1.00 1.15 H new ATOM 0 HE1 TYR A 532 11.601 0.660 -4.745 1.00 1.48 H new ATOM 0 HE2 TYR A 532 14.448 -1.338 -2.276 1.00 1.24 H new ATOM 0 HH TYR A 532 14.990 0.291 -3.666 1.00 1.01 H new ATOM 949 N ALA A 533 11.746 -5.074 -3.610 1.00 0.88 N ATOM 950 CA ALA A 533 12.876 -5.987 -3.556 1.00 1.11 C ATOM 951 C ALA A 533 14.151 -5.296 -4.019 1.00 1.43 C ATOM 952 O ALA A 533 14.304 -4.981 -5.201 1.00 1.88 O ATOM 953 CB ALA A 533 12.595 -7.216 -4.406 1.00 1.66 C ATOM 0 H ALA A 533 11.665 -4.553 -4.483 1.00 0.88 H new ATOM 0 HA ALA A 533 13.019 -6.301 -2.522 1.00 1.11 H new ATOM 0 HB1 ALA A 533 13.447 -7.894 -4.359 1.00 1.66 H new ATOM 0 HB2 ALA A 533 11.707 -7.723 -4.030 1.00 1.66 H new ATOM 0 HB3 ALA A 533 12.429 -6.913 -5.440 1.00 1.66 H new ATOM 959 N GLY A 534 15.057 -5.050 -3.086 1.00 1.85 N ATOM 960 CA GLY A 534 16.306 -4.397 -3.421 1.00 2.51 C ATOM 961 C GLY A 534 17.343 -4.554 -2.334 1.00 2.55 C ATOM 962 O GLY A 534 17.992 -3.584 -1.940 1.00 3.23 O ATOM 0 H GLY A 534 14.950 -5.291 -2.101 1.00 1.85 H new ATOM 0 HA2 GLY A 534 16.692 -4.812 -4.352 1.00 2.51 H new ATOM 0 HA3 GLY A 534 16.124 -3.337 -3.596 1.00 2.51 H new ATOM 966 N GLY A 535 17.495 -5.778 -1.845 1.00 2.26 N ATOM 967 CA GLY A 535 18.447 -6.041 -0.785 1.00 2.32 C ATOM 968 C GLY A 535 17.969 -5.507 0.547 1.00 1.64 C ATOM 969 O GLY A 535 17.318 -6.219 1.314 1.00 1.87 O ATOM 0 H GLY A 535 16.974 -6.595 -2.165 1.00 2.26 H new ATOM 0 HA2 GLY A 535 18.615 -7.115 -0.706 1.00 2.32 H new ATOM 0 HA3 GLY A 535 19.405 -5.586 -1.036 1.00 2.32 H new ATOM 973 N ALA A 536 18.276 -4.248 0.817 1.00 1.36 N ATOM 974 CA ALA A 536 17.846 -3.606 2.045 1.00 1.04 C ATOM 975 C ALA A 536 16.454 -3.020 1.871 1.00 0.86 C ATOM 976 O ALA A 536 16.229 -2.166 1.012 1.00 0.93 O ATOM 977 CB ALA A 536 18.832 -2.525 2.451 1.00 1.69 C ATOM 0 H ALA A 536 18.824 -3.650 0.198 1.00 1.36 H new ATOM 0 HA ALA A 536 17.812 -4.354 2.837 1.00 1.04 H new ATOM 0 HB1 ALA A 536 18.495 -2.053 3.374 1.00 1.69 H new ATOM 0 HB2 ALA A 536 19.815 -2.969 2.609 1.00 1.69 H new ATOM 0 HB3 ALA A 536 18.895 -1.775 1.662 1.00 1.69 H new ATOM 983 N GLU A 537 15.528 -3.481 2.698 1.00 0.77 N ATOM 984 CA GLU A 537 14.133 -3.075 2.602 1.00 0.79 C ATOM 985 C GLU A 537 13.971 -1.602 2.964 1.00 0.66 C ATOM 986 O GLU A 537 13.062 -0.927 2.485 1.00 0.68 O ATOM 987 CB GLU A 537 13.279 -3.941 3.526 1.00 1.03 C ATOM 988 CG GLU A 537 13.495 -5.433 3.320 1.00 1.51 C ATOM 989 CD GLU A 537 12.729 -6.279 4.313 1.00 2.08 C ATOM 990 OE1 GLU A 537 12.076 -7.258 3.889 1.00 2.73 O ATOM 991 OE2 GLU A 537 12.778 -5.970 5.525 1.00 2.51 O ATOM 0 H GLU A 537 15.720 -4.143 3.450 1.00 0.77 H new ATOM 0 HA GLU A 537 13.801 -3.211 1.573 1.00 0.79 H new ATOM 0 HB2 GLU A 537 13.505 -3.688 4.562 1.00 1.03 H new ATOM 0 HB3 GLU A 537 12.227 -3.707 3.363 1.00 1.03 H new ATOM 0 HG2 GLU A 537 13.191 -5.703 2.309 1.00 1.51 H new ATOM 0 HG3 GLU A 537 14.559 -5.656 3.404 1.00 1.51 H new ATOM 998 N GLU A 538 14.875 -1.102 3.795 1.00 0.73 N ATOM 999 CA GLU A 538 14.824 0.285 4.234 1.00 0.90 C ATOM 1000 C GLU A 538 15.411 1.224 3.183 1.00 0.90 C ATOM 1001 O GLU A 538 15.348 2.444 3.329 1.00 1.09 O ATOM 1002 CB GLU A 538 15.566 0.450 5.559 1.00 1.12 C ATOM 1003 CG GLU A 538 14.938 -0.322 6.707 1.00 2.06 C ATOM 1004 CD GLU A 538 13.532 0.147 7.028 1.00 2.73 C ATOM 1005 OE1 GLU A 538 13.377 1.012 7.915 1.00 3.26 O ATOM 1006 OE2 GLU A 538 12.572 -0.348 6.402 1.00 3.34 O ATOM 0 H GLU A 538 15.654 -1.637 4.179 1.00 0.73 H new ATOM 0 HA GLU A 538 13.776 0.551 4.376 1.00 0.90 H new ATOM 0 HB2 GLU A 538 16.597 0.121 5.432 1.00 1.12 H new ATOM 0 HB3 GLU A 538 15.599 1.508 5.818 1.00 1.12 H new ATOM 0 HG2 GLU A 538 14.914 -1.383 6.456 1.00 2.06 H new ATOM 0 HG3 GLU A 538 15.563 -0.218 7.594 1.00 2.06 H new ATOM 1013 N ASN A 539 15.965 0.654 2.119 1.00 0.84 N ATOM 1014 CA ASN A 539 16.532 1.454 1.035 1.00 1.00 C ATOM 1015 C ASN A 539 15.445 1.894 0.067 1.00 0.82 C ATOM 1016 O ASN A 539 15.710 2.613 -0.898 1.00 0.94 O ATOM 1017 CB ASN A 539 17.614 0.679 0.280 1.00 1.28 C ATOM 1018 CG ASN A 539 18.943 0.657 1.009 1.00 1.84 C ATOM 1019 OD1 ASN A 539 18.996 0.719 2.238 1.00 2.35 O ATOM 1020 ND2 ASN A 539 20.030 0.570 0.257 1.00 2.52 N ATOM 0 H ASN A 539 16.035 -0.354 1.982 1.00 0.84 H new ATOM 0 HA ASN A 539 16.989 2.336 1.483 1.00 1.00 H new ATOM 0 HB2 ASN A 539 17.276 -0.345 0.121 1.00 1.28 H new ATOM 0 HB3 ASN A 539 17.753 1.125 -0.705 1.00 1.28 H new ATOM 0 HD21 ASN A 539 20.952 0.552 0.693 1.00 2.52 H new ATOM 0 HD22 ASN A 539 19.945 0.521 -0.758 1.00 2.52 H new ATOM 1027 N ALA A 540 14.224 1.451 0.329 1.00 0.59 N ATOM 1028 CA ALA A 540 13.080 1.825 -0.484 1.00 0.51 C ATOM 1029 C ALA A 540 12.813 3.321 -0.381 1.00 0.47 C ATOM 1030 O ALA A 540 12.747 3.872 0.721 1.00 0.51 O ATOM 1031 CB ALA A 540 11.853 1.042 -0.048 1.00 0.47 C ATOM 0 H ALA A 540 14.001 0.827 1.105 1.00 0.59 H new ATOM 0 HA ALA A 540 13.302 1.587 -1.524 1.00 0.51 H new ATOM 0 HB1 ALA A 540 11.000 1.329 -0.663 1.00 0.47 H new ATOM 0 HB2 ALA A 540 12.042 -0.025 -0.165 1.00 0.47 H new ATOM 0 HB3 ALA A 540 11.635 1.259 0.998 1.00 0.47 H new ATOM 1037 N PRO A 541 12.673 4.000 -1.527 1.00 0.46 N ATOM 1038 CA PRO A 541 12.344 5.423 -1.561 1.00 0.45 C ATOM 1039 C PRO A 541 10.879 5.658 -1.215 1.00 0.45 C ATOM 1040 O PRO A 541 10.087 4.715 -1.160 1.00 0.60 O ATOM 1041 CB PRO A 541 12.633 5.816 -3.010 1.00 0.49 C ATOM 1042 CG PRO A 541 12.416 4.566 -3.784 1.00 0.53 C ATOM 1043 CD PRO A 541 12.826 3.436 -2.880 1.00 0.52 C ATOM 0 HA PRO A 541 12.912 6.007 -0.837 1.00 0.45 H new ATOM 0 HB2 PRO A 541 11.968 6.612 -3.346 1.00 0.49 H new ATOM 0 HB3 PRO A 541 13.653 6.183 -3.126 1.00 0.49 H new ATOM 0 HG2 PRO A 541 11.372 4.468 -4.080 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.008 4.567 -4.699 1.00 0.53 H new ATOM 0 HD2 PRO A 541 12.194 2.559 -3.023 1.00 0.52 H new ATOM 0 HD3 PRO A 541 13.853 3.123 -3.070 1.00 0.52 H new ATOM 1051 N LEU A 542 10.514 6.903 -0.980 1.00 0.37 N ATOM 1052 CA LEU A 542 9.152 7.215 -0.590 1.00 0.38 C ATOM 1053 C LEU A 542 8.529 8.196 -1.574 1.00 0.35 C ATOM 1054 O LEU A 542 8.921 9.359 -1.639 1.00 0.43 O ATOM 1055 CB LEU A 542 9.127 7.787 0.829 1.00 0.49 C ATOM 1056 CG LEU A 542 7.743 7.871 1.476 1.00 0.58 C ATOM 1057 CD1 LEU A 542 7.143 6.482 1.643 1.00 0.60 C ATOM 1058 CD2 LEU A 542 7.830 8.579 2.819 1.00 1.40 C ATOM 0 H LEU A 542 11.135 7.709 -1.051 1.00 0.37 H new ATOM 0 HA LEU A 542 8.565 6.297 -0.604 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.769 7.174 1.462 1.00 0.49 H new ATOM 0 HB3 LEU A 542 9.561 8.787 0.808 1.00 0.49 H new ATOM 0 HG LEU A 542 7.090 8.448 0.821 1.00 0.58 H new ATOM 0 HD11 LEU A 542 6.159 6.564 2.105 1.00 0.60 H new ATOM 0 HD12 LEU A 542 7.047 6.007 0.667 1.00 0.60 H new ATOM 0 HD13 LEU A 542 7.793 5.879 2.277 1.00 0.60 H new ATOM 0 HD21 LEU A 542 6.838 8.631 3.268 1.00 1.40 H new ATOM 0 HD22 LEU A 542 8.498 8.026 3.479 1.00 1.40 H new ATOM 0 HD23 LEU A 542 8.216 9.588 2.674 1.00 1.40 H new ATOM 1070 N HIS A 543 7.575 7.710 -2.356 1.00 0.31 N ATOM 1071 CA HIS A 543 6.864 8.547 -3.318 1.00 0.32 C ATOM 1072 C HIS A 543 5.870 9.454 -2.605 1.00 0.29 C ATOM 1073 O HIS A 543 5.598 9.278 -1.418 1.00 0.33 O ATOM 1074 CB HIS A 543 6.136 7.689 -4.358 1.00 0.43 C ATOM 1075 CG HIS A 543 7.014 7.181 -5.460 1.00 0.62 C ATOM 1076 ND1 HIS A 543 6.538 6.843 -6.711 1.00 0.69 N ATOM 1077 CD2 HIS A 543 8.345 6.949 -5.494 1.00 1.25 C ATOM 1078 CE1 HIS A 543 7.539 6.424 -7.461 1.00 1.06 C ATOM 1079 NE2 HIS A 543 8.645 6.479 -6.747 1.00 1.47 N ATOM 0 H HIS A 543 7.273 6.736 -2.344 1.00 0.31 H new ATOM 0 HA HIS A 543 7.600 9.164 -3.833 1.00 0.32 H new ATOM 0 HB2 HIS A 543 5.677 6.839 -3.854 1.00 0.43 H new ATOM 0 HB3 HIS A 543 5.327 8.275 -4.794 1.00 0.43 H new ATOM 0 HD1 HIS A 543 5.565 6.907 -7.009 1.00 0.69 H new ATOM 0 HD2 HIS A 543 9.043 7.105 -4.685 1.00 1.25 H new ATOM 0 HE1 HIS A 543 7.465 6.092 -8.486 1.00 1.06 H new ATOM 1088 N LYS A 544 5.348 10.434 -3.322 1.00 0.35 N ATOM 1089 CA LYS A 544 4.373 11.354 -2.754 1.00 0.44 C ATOM 1090 C LYS A 544 3.042 11.258 -3.493 1.00 0.43 C ATOM 1091 O LYS A 544 3.007 11.175 -4.722 1.00 0.61 O ATOM 1092 CB LYS A 544 4.893 12.795 -2.816 1.00 0.67 C ATOM 1093 CG LYS A 544 3.919 13.812 -2.235 1.00 1.35 C ATOM 1094 CD LYS A 544 4.408 15.242 -2.410 1.00 1.77 C ATOM 1095 CE LYS A 544 5.660 15.521 -1.594 1.00 2.62 C ATOM 1096 NZ LYS A 544 6.072 16.947 -1.687 1.00 3.40 N ATOM 0 H LYS A 544 5.582 10.615 -4.298 1.00 0.35 H new ATOM 0 HA LYS A 544 4.218 11.075 -1.712 1.00 0.44 H new ATOM 0 HB2 LYS A 544 5.838 12.857 -2.275 1.00 0.67 H new ATOM 0 HB3 LYS A 544 5.102 13.054 -3.854 1.00 0.67 H new ATOM 0 HG2 LYS A 544 2.948 13.700 -2.718 1.00 1.35 H new ATOM 0 HG3 LYS A 544 3.772 13.607 -1.174 1.00 1.35 H new ATOM 0 HD2 LYS A 544 4.614 15.428 -3.464 1.00 1.77 H new ATOM 0 HD3 LYS A 544 3.620 15.933 -2.112 1.00 1.77 H new ATOM 0 HE2 LYS A 544 5.479 15.262 -0.551 1.00 2.62 H new ATOM 0 HE3 LYS A 544 6.472 14.884 -1.945 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 6.929 17.099 -1.118 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 6.269 17.188 -2.680 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 5.307 17.553 -1.329 1.00 3.40 H new ATOM 1110 N LEU A 545 1.952 11.248 -2.740 1.00 0.44 N ATOM 1111 CA LEU A 545 0.624 11.312 -3.327 1.00 0.58 C ATOM 1112 C LEU A 545 0.256 12.767 -3.558 1.00 0.66 C ATOM 1113 O LEU A 545 0.286 13.574 -2.629 1.00 1.04 O ATOM 1114 CB LEU A 545 -0.410 10.652 -2.414 1.00 1.01 C ATOM 1115 CG LEU A 545 -0.191 9.165 -2.135 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -1.225 8.654 -1.148 1.00 0.85 C ATOM 1117 CD2 LEU A 545 -0.253 8.362 -3.422 1.00 0.67 C ATOM 0 H LEU A 545 1.962 11.196 -1.721 1.00 0.44 H new ATOM 0 HA LEU A 545 0.629 10.773 -4.275 1.00 0.58 H new ATOM 0 HB2 LEU A 545 -0.421 11.184 -1.463 1.00 1.01 H new ATOM 0 HB3 LEU A 545 -1.396 10.778 -2.861 1.00 1.01 H new ATOM 0 HG LEU A 545 0.801 9.042 -1.699 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -1.056 7.594 -0.960 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -1.139 9.207 -0.213 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -2.224 8.794 -1.562 1.00 0.85 H new ATOM 0 HD21 LEU A 545 -0.095 7.307 -3.200 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -1.231 8.493 -3.886 1.00 0.67 H new ATOM 0 HD23 LEU A 545 0.522 8.709 -4.105 1.00 0.67 H new ATOM 1129 N GLY A 546 -0.074 13.102 -4.793 1.00 1.15 N ATOM 1130 CA GLY A 546 -0.333 14.483 -5.138 1.00 1.43 C ATOM 1131 C GLY A 546 0.953 15.231 -5.414 1.00 2.14 C ATOM 1132 O GLY A 546 1.065 16.425 -5.132 1.00 2.85 O ATOM 0 H GLY A 546 -0.168 12.442 -5.565 1.00 1.15 H new ATOM 0 HA2 GLY A 546 -0.977 14.526 -6.016 1.00 1.43 H new ATOM 0 HA3 GLY A 546 -0.871 14.969 -4.324 1.00 1.43 H new ATOM 1136 N GLY A 547 1.933 14.514 -5.945 1.00 2.68 N ATOM 1137 CA GLY A 547 3.209 15.108 -6.275 1.00 3.84 C ATOM 1138 C GLY A 547 3.880 14.386 -7.424 1.00 4.60 C ATOM 1139 O GLY A 547 4.651 13.436 -7.172 1.00 4.86 O ATOM 1140 OXT GLY A 547 3.613 14.744 -8.591 1.00 5.29 O ATOM 0 H GLY A 547 1.863 13.518 -6.155 1.00 2.68 H new ATOM 0 HA2 GLY A 547 3.066 16.156 -6.537 1.00 3.84 H new ATOM 0 HA3 GLY A 547 3.859 15.084 -5.400 1.00 3.84 H new TER 1144 GLY A 547