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 Set 1.1: A 493 TYR OH : rot 38:sc= -0.958 USER MOD Set 1.2: A 496 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 478 HIS : no HE2:sc= 0.625 K(o=-0.54,f=-6!) USER MOD Set 2.2: A 481 GLN : amide:sc= -1.17! X(o=-0.54!,f=-0.66) USER MOD Single : A 473 ASN : amide:sc= -0.0309 K(o=-0.031,f=-2.4) USER MOD Single : A 485 HIS : no HD1:sc= -11.6! C(o=-12!,f=-15!) USER MOD Single : A 488 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 497 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 THR OG1 : rot 180:sc= 0 USER MOD Single : A 505 THR OG1 : rot 180:sc= 0 USER MOD Single : A 508 TYR OH : rot 180:sc= 0 USER MOD Single : A 510 MET CE :methyl -177:sc= 0 (180deg=-0.0153) USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 TYR OH : rot 16:sc= 1.13 USER MOD Single : A 515 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.2) USER MOD Single : A 518 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0159) USER MOD Single : A 520 TYR OH : rot 180:sc= 0 USER MOD Single : A 524 SER OG : rot -19:sc= 0.166 USER MOD Single : A 525 SER OG : rot -177:sc= -0.453 USER MOD Single : A 527 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) 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=-0.00362 X(o=-0.0036,f=-0.0057) USER MOD Single : A 543 HIS : no HD1:sc= -2.71! K(o=-2.7!,f=0.36) USER MOD Single : A 544 LYS NZ :NH3+ 166:sc= -0.0224 (180deg=-0.239) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 472 1.710 -12.507 -6.325 1.00 1.75 N ATOM 2 CA ARG A 472 1.836 -11.767 -5.050 1.00 1.43 C ATOM 3 C ARG A 472 0.453 -11.444 -4.502 1.00 1.73 C ATOM 4 O ARG A 472 -0.315 -10.711 -5.123 1.00 2.33 O ATOM 5 CB ARG A 472 2.616 -10.460 -5.273 1.00 1.05 C ATOM 6 CG ARG A 472 3.357 -9.919 -4.045 1.00 1.63 C ATOM 7 CD ARG A 472 2.431 -9.590 -2.880 1.00 2.44 C ATOM 8 NE ARG A 472 3.141 -8.902 -1.793 1.00 3.40 N ATOM 9 CZ ARG A 472 3.514 -9.478 -0.642 1.00 4.48 C ATOM 10 NH1 ARG A 472 3.302 -10.770 -0.430 1.00 4.87 N ATOM 11 NH2 ARG A 472 4.105 -8.754 0.303 1.00 5.44 N ATOM 0 HA ARG A 472 2.374 -12.388 -4.334 1.00 1.43 H new ATOM 0 HB2 ARG A 472 3.340 -10.621 -6.072 1.00 1.05 H new ATOM 0 HB3 ARG A 472 1.921 -9.697 -5.622 1.00 1.05 H new ATOM 0 HG2 ARG A 472 4.092 -10.655 -3.719 1.00 1.63 H new ATOM 0 HG3 ARG A 472 3.908 -9.022 -4.327 1.00 1.63 H new ATOM 0 HD2 ARG A 472 1.612 -8.963 -3.233 1.00 2.44 H new ATOM 0 HD3 ARG A 472 1.987 -10.509 -2.499 1.00 2.44 H new ATOM 0 HE ARG A 472 3.366 -7.916 -1.924 1.00 3.40 H new ATOM 0 HH11 ARG A 472 2.850 -11.337 -1.147 1.00 4.87 H new ATOM 0 HH12 ARG A 472 3.591 -11.196 0.450 1.00 4.87 H new ATOM 0 HH21 ARG A 472 4.275 -7.760 0.152 1.00 5.44 H new ATOM 0 HH22 ARG A 472 4.389 -9.193 1.179 1.00 5.44 H new ATOM 27 N ASN A 473 0.132 -12.002 -3.349 1.00 1.77 N ATOM 28 CA ASN A 473 -1.074 -11.613 -2.640 1.00 2.11 C ATOM 29 C ASN A 473 -0.683 -10.758 -1.452 1.00 1.62 C ATOM 30 O ASN A 473 0.406 -10.913 -0.906 1.00 2.26 O ATOM 31 CB ASN A 473 -1.866 -12.833 -2.168 1.00 2.96 C ATOM 32 CG ASN A 473 -3.192 -12.451 -1.538 1.00 3.43 C ATOM 33 OD1 ASN A 473 -3.788 -11.433 -1.891 1.00 3.75 O ATOM 34 ND2 ASN A 473 -3.665 -13.260 -0.604 1.00 3.92 N ATOM 0 H ASN A 473 0.686 -12.722 -2.885 1.00 1.77 H new ATOM 0 HA ASN A 473 -1.715 -11.050 -3.319 1.00 2.11 H new ATOM 0 HB2 ASN A 473 -2.046 -13.496 -3.014 1.00 2.96 H new ATOM 0 HB3 ASN A 473 -1.271 -13.392 -1.446 1.00 2.96 H new ATOM 0 HD21 ASN A 473 -4.553 -13.049 -0.149 1.00 3.92 H new ATOM 0 HD22 ASN A 473 -3.141 -14.094 -0.339 1.00 3.92 H new ATOM 41 N LEU A 474 -1.551 -9.857 -1.056 1.00 1.02 N ATOM 42 CA LEU A 474 -1.237 -8.940 0.020 1.00 0.50 C ATOM 43 C LEU A 474 -1.859 -9.393 1.335 1.00 0.52 C ATOM 44 O LEU A 474 -2.649 -8.672 1.946 1.00 1.38 O ATOM 45 CB LEU A 474 -1.716 -7.542 -0.339 1.00 0.67 C ATOM 46 CG LEU A 474 -0.927 -6.829 -1.444 1.00 0.54 C ATOM 47 CD1 LEU A 474 -1.292 -5.360 -1.472 1.00 1.29 C ATOM 48 CD2 LEU A 474 0.571 -7.004 -1.257 1.00 0.94 C ATOM 0 H LEU A 474 -2.480 -9.737 -1.461 1.00 1.02 H new ATOM 0 HA LEU A 474 -0.155 -8.927 0.153 1.00 0.50 H new ATOM 0 HB2 LEU A 474 -2.760 -7.604 -0.646 1.00 0.67 H new ATOM 0 HB3 LEU A 474 -1.684 -6.926 0.559 1.00 0.67 H new ATOM 0 HG LEU A 474 -1.193 -7.281 -2.399 1.00 0.54 H new ATOM 0 HD11 LEU A 474 -0.728 -4.860 -2.259 1.00 1.29 H new ATOM 0 HD12 LEU A 474 -2.359 -5.254 -1.667 1.00 1.29 H new ATOM 0 HD13 LEU A 474 -1.052 -4.907 -0.510 1.00 1.29 H new ATOM 0 HD21 LEU A 474 1.100 -6.486 -2.057 1.00 0.94 H new ATOM 0 HD22 LEU A 474 0.869 -6.586 -0.295 1.00 0.94 H new ATOM 0 HD23 LEU A 474 0.820 -8.065 -1.284 1.00 0.94 H new ATOM 60 N ALA A 475 -1.501 -10.593 1.762 1.00 1.09 N ATOM 61 CA ALA A 475 -1.976 -11.125 3.029 1.00 1.19 C ATOM 62 C ALA A 475 -0.855 -11.125 4.062 1.00 1.15 C ATOM 63 O ALA A 475 -1.095 -10.971 5.257 1.00 1.34 O ATOM 64 CB ALA A 475 -2.525 -12.532 2.838 1.00 1.36 C ATOM 0 H ALA A 475 -0.881 -11.219 1.248 1.00 1.09 H new ATOM 0 HA ALA A 475 -2.779 -10.486 3.395 1.00 1.19 H new ATOM 0 HB1 ALA A 475 -2.877 -12.918 3.795 1.00 1.36 H new ATOM 0 HB2 ALA A 475 -3.353 -12.506 2.130 1.00 1.36 H new ATOM 0 HB3 ALA A 475 -1.738 -13.180 2.453 1.00 1.36 H new ATOM 70 N GLU A 476 0.371 -11.282 3.585 1.00 1.05 N ATOM 71 CA GLU A 476 1.541 -11.328 4.454 1.00 1.13 C ATOM 72 C GLU A 476 2.253 -9.977 4.491 1.00 0.88 C ATOM 73 O GLU A 476 3.478 -9.908 4.621 1.00 0.99 O ATOM 74 CB GLU A 476 2.509 -12.408 3.976 1.00 1.40 C ATOM 75 CG GLU A 476 1.939 -13.815 4.028 1.00 1.65 C ATOM 76 CD GLU A 476 2.872 -14.833 3.411 1.00 1.89 C ATOM 77 OE1 GLU A 476 2.759 -15.083 2.194 1.00 2.45 O ATOM 78 OE2 GLU A 476 3.730 -15.381 4.133 1.00 2.32 O ATOM 0 H GLU A 476 0.584 -11.381 2.592 1.00 1.05 H new ATOM 0 HA GLU A 476 1.202 -11.566 5.462 1.00 1.13 H new ATOM 0 HB2 GLU A 476 2.808 -12.186 2.952 1.00 1.40 H new ATOM 0 HB3 GLU A 476 3.411 -12.369 4.587 1.00 1.40 H new ATOM 0 HG2 GLU A 476 1.742 -14.087 5.065 1.00 1.65 H new ATOM 0 HG3 GLU A 476 0.983 -13.837 3.505 1.00 1.65 H new ATOM 85 N LEU A 477 1.485 -8.908 4.350 1.00 0.62 N ATOM 86 CA LEU A 477 2.042 -7.563 4.355 1.00 0.41 C ATOM 87 C LEU A 477 2.513 -7.159 5.745 1.00 0.48 C ATOM 88 O LEU A 477 1.793 -7.316 6.731 1.00 0.70 O ATOM 89 CB LEU A 477 1.019 -6.555 3.845 1.00 0.33 C ATOM 90 CG LEU A 477 0.975 -6.378 2.330 1.00 0.27 C ATOM 91 CD1 LEU A 477 -0.191 -5.493 1.941 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.277 -5.776 1.821 1.00 0.34 C ATOM 0 H LEU A 477 0.473 -8.945 4.230 1.00 0.62 H new ATOM 0 HA LEU A 477 2.905 -7.566 3.689 1.00 0.41 H new ATOM 0 HB2 LEU A 477 0.030 -6.861 4.187 1.00 0.33 H new ATOM 0 HB3 LEU A 477 1.229 -5.587 4.301 1.00 0.33 H new ATOM 0 HG LEU A 477 0.845 -7.359 1.874 1.00 0.27 H new ATOM 0 HD11 LEU A 477 -0.212 -5.374 0.858 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -1.122 -5.951 2.274 1.00 0.32 H new ATOM 0 HD13 LEU A 477 -0.079 -4.516 2.411 1.00 0.32 H new ATOM 0 HD21 LEU A 477 2.225 -5.658 0.739 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.433 -4.802 2.285 1.00 0.34 H new ATOM 0 HD23 LEU A 477 3.107 -6.436 2.074 1.00 0.34 H new ATOM 104 N HIS A 478 3.732 -6.652 5.813 1.00 0.41 N ATOM 105 CA HIS A 478 4.293 -6.166 7.065 1.00 0.48 C ATOM 106 C HIS A 478 3.926 -4.699 7.256 1.00 0.36 C ATOM 107 O HIS A 478 3.728 -3.972 6.283 1.00 0.30 O ATOM 108 CB HIS A 478 5.818 -6.323 7.071 1.00 0.63 C ATOM 109 CG HIS A 478 6.285 -7.730 6.858 1.00 1.07 C ATOM 110 ND1 HIS A 478 7.137 -8.092 5.834 1.00 1.59 N ATOM 111 CD2 HIS A 478 6.016 -8.867 7.539 1.00 1.83 C ATOM 112 CE1 HIS A 478 7.365 -9.387 5.896 1.00 1.99 C ATOM 113 NE2 HIS A 478 6.699 -9.881 6.920 1.00 2.14 N ATOM 0 H HIS A 478 4.357 -6.565 5.011 1.00 0.41 H new ATOM 0 HA HIS A 478 3.880 -6.755 7.884 1.00 0.48 H new ATOM 0 HB2 HIS A 478 6.242 -5.688 6.293 1.00 0.63 H new ATOM 0 HB3 HIS A 478 6.207 -5.962 8.023 1.00 0.63 H new ATOM 0 HD1 HIS A 478 7.528 -7.456 5.139 1.00 1.59 H new ATOM 0 HD2 HIS A 478 5.382 -8.959 8.408 1.00 1.83 H new ATOM 0 HE1 HIS A 478 7.993 -9.950 5.221 1.00 1.99 H new ATOM 122 N ILE A 479 3.827 -4.268 8.502 1.00 0.37 N ATOM 123 CA ILE A 479 3.479 -2.887 8.797 1.00 0.34 C ATOM 124 C ILE A 479 4.707 -1.991 8.666 1.00 0.31 C ATOM 125 O ILE A 479 5.763 -2.281 9.235 1.00 0.35 O ATOM 126 CB ILE A 479 2.885 -2.737 10.211 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.653 -3.640 10.381 1.00 0.54 C ATOM 128 CG2 ILE A 479 2.535 -1.279 10.484 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.513 -3.330 9.430 1.00 0.56 C ATOM 0 H ILE A 479 3.982 -4.852 9.324 1.00 0.37 H new ATOM 0 HA ILE A 479 2.722 -2.583 8.074 1.00 0.34 H new ATOM 0 HB ILE A 479 3.633 -3.052 10.938 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.956 -4.678 10.240 1.00 0.54 H new ATOM 0 HG13 ILE A 479 1.290 -3.550 11.405 1.00 0.54 H new ATOM 0 HG21 ILE A 479 2.116 -1.187 11.486 1.00 0.51 H new ATOM 0 HG22 ILE A 479 3.435 -0.669 10.409 1.00 0.51 H new ATOM 0 HG23 ILE A 479 1.803 -0.937 9.752 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.315 -4.014 9.619 1.00 0.56 H new ATOM 0 HD12 ILE A 479 0.179 -2.304 9.585 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.854 -3.449 8.402 1.00 0.56 H new ATOM 141 N GLY A 480 4.560 -0.910 7.911 1.00 0.30 N ATOM 142 CA GLY A 480 5.664 -0.004 7.679 1.00 0.38 C ATOM 143 C GLY A 480 6.558 -0.496 6.561 1.00 0.41 C ATOM 144 O GLY A 480 7.676 -0.010 6.382 1.00 0.63 O ATOM 0 H GLY A 480 3.688 -0.645 7.453 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.279 0.985 7.430 1.00 0.38 H new ATOM 0 HA3 GLY A 480 6.248 0.102 8.593 1.00 0.38 H new ATOM 148 N GLN A 481 6.041 -1.448 5.795 1.00 0.28 N ATOM 149 CA GLN A 481 6.817 -2.134 4.774 1.00 0.35 C ATOM 150 C GLN A 481 6.776 -1.363 3.464 1.00 0.30 C ATOM 151 O GLN A 481 5.719 -0.867 3.064 1.00 0.30 O ATOM 152 CB GLN A 481 6.241 -3.538 4.569 1.00 0.42 C ATOM 153 CG GLN A 481 7.056 -4.446 3.657 1.00 1.02 C ATOM 154 CD GLN A 481 8.208 -5.150 4.360 1.00 1.43 C ATOM 155 OE1 GLN A 481 8.564 -6.272 4.003 1.00 2.34 O ATOM 156 NE2 GLN A 481 8.794 -4.520 5.366 1.00 1.79 N ATOM 0 H GLN A 481 5.074 -1.765 5.865 1.00 0.28 H new ATOM 0 HA GLN A 481 7.855 -2.203 5.099 1.00 0.35 H new ATOM 0 HB2 GLN A 481 6.144 -4.019 5.542 1.00 0.42 H new ATOM 0 HB3 GLN A 481 5.236 -3.445 4.158 1.00 0.42 H new ATOM 0 HG2 GLN A 481 6.395 -5.196 3.222 1.00 1.02 H new ATOM 0 HG3 GLN A 481 7.453 -3.855 2.832 1.00 1.02 H new ATOM 0 HE21 GLN A 481 8.477 -3.590 5.639 1.00 1.79 H new ATOM 0 HE22 GLN A 481 9.563 -4.965 5.868 1.00 1.79 H new ATOM 165 N PRO A 482 7.928 -1.227 2.792 1.00 0.33 N ATOM 166 CA PRO A 482 7.985 -0.607 1.472 1.00 0.30 C ATOM 167 C PRO A 482 7.345 -1.496 0.412 1.00 0.28 C ATOM 168 O PRO A 482 7.775 -2.632 0.180 1.00 0.33 O ATOM 169 CB PRO A 482 9.483 -0.447 1.212 1.00 0.34 C ATOM 170 CG PRO A 482 10.138 -1.479 2.067 1.00 0.40 C ATOM 171 CD PRO A 482 9.257 -1.649 3.271 1.00 0.43 C ATOM 0 HA PRO A 482 7.441 0.337 1.431 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.719 -0.600 0.159 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.824 0.555 1.473 1.00 0.34 H new ATOM 0 HG2 PRO A 482 10.245 -2.420 1.528 1.00 0.40 H new ATOM 0 HG3 PRO A 482 11.139 -1.163 2.359 1.00 0.40 H new ATOM 0 HD2 PRO A 482 9.248 -2.682 3.618 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.596 -1.035 4.105 1.00 0.43 H new ATOM 179 N VAL A 483 6.323 -0.968 -0.235 1.00 0.24 N ATOM 180 CA VAL A 483 5.589 -1.710 -1.244 1.00 0.24 C ATOM 181 C VAL A 483 5.453 -0.890 -2.515 1.00 0.27 C ATOM 182 O VAL A 483 5.214 0.314 -2.468 1.00 0.39 O ATOM 183 CB VAL A 483 4.189 -2.131 -0.741 1.00 0.23 C ATOM 184 CG1 VAL A 483 4.305 -3.179 0.354 1.00 0.29 C ATOM 185 CG2 VAL A 483 3.408 -0.930 -0.236 1.00 0.25 C ATOM 0 H VAL A 483 5.980 -0.020 -0.078 1.00 0.24 H new ATOM 0 HA VAL A 483 6.158 -2.615 -1.457 1.00 0.24 H new ATOM 0 HB VAL A 483 3.648 -2.563 -1.583 1.00 0.23 H new ATOM 0 HG11 VAL A 483 3.309 -3.462 0.694 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.818 -4.058 -0.036 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.872 -2.770 1.191 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.427 -1.254 0.112 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.949 -0.464 0.587 1.00 0.25 H new ATOM 0 HG23 VAL A 483 3.286 -0.209 -1.044 1.00 0.25 H new ATOM 195 N VAL A 484 5.614 -1.549 -3.645 1.00 0.28 N ATOM 196 CA VAL A 484 5.521 -0.885 -4.927 1.00 0.31 C ATOM 197 C VAL A 484 4.075 -0.912 -5.396 1.00 0.28 C ATOM 198 O VAL A 484 3.335 -1.858 -5.111 1.00 0.29 O ATOM 199 CB VAL A 484 6.447 -1.531 -5.975 1.00 0.35 C ATOM 200 CG1 VAL A 484 7.870 -1.602 -5.453 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.954 -2.901 -6.354 1.00 0.31 C ATOM 0 H VAL A 484 5.811 -2.548 -3.700 1.00 0.28 H new ATOM 0 HA VAL A 484 5.850 0.147 -4.809 1.00 0.31 H new ATOM 0 HB VAL A 484 6.437 -0.908 -6.869 1.00 0.35 H new ATOM 0 HG11 VAL A 484 8.511 -2.061 -6.206 1.00 0.42 H new ATOM 0 HG12 VAL A 484 8.228 -0.596 -5.236 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.894 -2.200 -4.542 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.624 -3.337 -7.095 1.00 0.31 H new ATOM 0 HG22 VAL A 484 5.929 -3.537 -5.469 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.951 -2.824 -6.773 1.00 0.31 H new ATOM 211 N HIS A 485 3.662 0.135 -6.074 1.00 0.34 N ATOM 212 CA HIS A 485 2.267 0.322 -6.388 1.00 0.29 C ATOM 213 C HIS A 485 2.093 0.789 -7.820 1.00 0.24 C ATOM 214 O HIS A 485 2.584 1.852 -8.199 1.00 0.29 O ATOM 215 CB HIS A 485 1.699 1.345 -5.432 1.00 0.36 C ATOM 216 CG HIS A 485 0.373 0.966 -4.915 1.00 0.52 C ATOM 217 ND1 HIS A 485 0.171 0.479 -3.648 1.00 1.09 N ATOM 218 CD2 HIS A 485 -0.826 0.999 -5.506 1.00 0.41 C ATOM 219 CE1 HIS A 485 -1.109 0.230 -3.484 1.00 1.19 C ATOM 220 NE2 HIS A 485 -1.735 0.542 -4.606 1.00 0.73 N ATOM 0 H HIS A 485 4.277 0.872 -6.419 1.00 0.34 H new ATOM 0 HA HIS A 485 1.739 -0.626 -6.284 1.00 0.29 H new ATOM 0 HB2 HIS A 485 2.386 1.476 -4.596 1.00 0.36 H new ATOM 0 HB3 HIS A 485 1.625 2.308 -5.938 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -1.033 1.328 -6.513 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -1.569 -0.161 -2.589 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -2.738 0.454 -4.769 1.00 0.73 H new ATOM 229 N LEU A 486 1.372 -0.005 -8.596 1.00 0.23 N ATOM 230 CA LEU A 486 1.131 0.279 -10.009 1.00 0.30 C ATOM 231 C LEU A 486 0.394 1.606 -10.205 1.00 0.38 C ATOM 232 O LEU A 486 0.383 2.165 -11.299 1.00 0.52 O ATOM 233 CB LEU A 486 0.372 -0.899 -10.672 1.00 0.32 C ATOM 234 CG LEU A 486 -1.120 -1.122 -10.308 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.363 -1.075 -8.807 1.00 0.37 C ATOM 236 CD2 LEU A 486 -2.025 -0.136 -11.035 1.00 0.48 C ATOM 0 H LEU A 486 0.935 -0.866 -8.267 1.00 0.23 H new ATOM 0 HA LEU A 486 2.097 0.384 -10.502 1.00 0.30 H new ATOM 0 HB2 LEU A 486 0.432 -0.765 -11.752 1.00 0.32 H new ATOM 0 HB3 LEU A 486 0.911 -1.816 -10.434 1.00 0.32 H new ATOM 0 HG LEU A 486 -1.374 -2.127 -10.644 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -2.422 -1.236 -8.605 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -0.777 -1.854 -8.319 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -1.064 -0.101 -8.420 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -3.062 -0.321 -10.757 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -1.751 0.882 -10.758 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -1.910 -0.262 -12.112 1.00 0.48 H new ATOM 248 N GLU A 487 -0.223 2.103 -9.140 1.00 0.38 N ATOM 249 CA GLU A 487 -0.964 3.351 -9.209 1.00 0.54 C ATOM 250 C GLU A 487 -0.038 4.557 -9.054 1.00 0.55 C ATOM 251 O GLU A 487 -0.009 5.435 -9.911 1.00 0.69 O ATOM 252 CB GLU A 487 -2.038 3.392 -8.118 1.00 0.64 C ATOM 253 CG GLU A 487 -3.083 2.293 -8.231 1.00 0.76 C ATOM 254 CD GLU A 487 -4.029 2.272 -7.046 1.00 1.47 C ATOM 255 OE1 GLU A 487 -3.725 1.578 -6.058 1.00 2.37 O ATOM 256 OE2 GLU A 487 -5.071 2.960 -7.092 1.00 1.85 O ATOM 0 H GLU A 487 -0.224 1.660 -8.221 1.00 0.38 H new ATOM 0 HA GLU A 487 -1.436 3.400 -10.190 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -1.554 3.319 -7.144 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -2.539 4.359 -8.153 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -3.656 2.433 -9.148 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -2.584 1.327 -8.311 1.00 0.76 H new ATOM 263 N HIS A 488 0.715 4.602 -7.958 1.00 0.44 N ATOM 264 CA HIS A 488 1.523 5.787 -7.663 1.00 0.48 C ATOM 265 C HIS A 488 3.017 5.492 -7.552 1.00 0.42 C ATOM 266 O HIS A 488 3.841 6.289 -7.995 1.00 0.52 O ATOM 267 CB HIS A 488 1.016 6.478 -6.398 1.00 0.53 C ATOM 268 CG HIS A 488 -0.331 7.107 -6.583 1.00 0.71 C ATOM 269 ND1 HIS A 488 -0.522 8.287 -7.267 1.00 1.44 N ATOM 270 CD2 HIS A 488 -1.561 6.696 -6.196 1.00 1.14 C ATOM 271 CE1 HIS A 488 -1.810 8.572 -7.294 1.00 1.39 C ATOM 272 NE2 HIS A 488 -2.460 7.623 -6.653 1.00 1.12 N ATOM 0 H HIS A 488 0.784 3.851 -7.272 1.00 0.44 H new ATOM 0 HA HIS A 488 1.407 6.457 -8.515 1.00 0.48 H new ATOM 0 HB2 HIS A 488 0.965 5.751 -5.588 1.00 0.53 H new ATOM 0 HB3 HIS A 488 1.731 7.243 -6.095 1.00 0.53 H new ATOM 0 HD2 HIS A 488 -1.791 5.804 -5.632 1.00 1.14 H new ATOM 0 HE1 HIS A 488 -2.256 9.437 -7.762 1.00 1.39 H new ATOM 0 HE2 HIS A 488 -3.470 7.584 -6.518 1.00 1.12 H new ATOM 281 N GLY A 489 3.372 4.369 -6.949 1.00 0.37 N ATOM 282 CA GLY A 489 4.777 4.044 -6.778 1.00 0.39 C ATOM 283 C GLY A 489 5.058 3.385 -5.444 1.00 0.29 C ATOM 284 O GLY A 489 4.140 2.908 -4.781 1.00 0.25 O ATOM 0 H GLY A 489 2.720 3.679 -6.576 1.00 0.37 H new ATOM 0 HA2 GLY A 489 5.094 3.380 -7.582 1.00 0.39 H new ATOM 0 HA3 GLY A 489 5.371 4.954 -6.863 1.00 0.39 H new ATOM 288 N VAL A 490 6.322 3.366 -5.045 1.00 0.30 N ATOM 289 CA VAL A 490 6.726 2.747 -3.785 1.00 0.27 C ATOM 290 C VAL A 490 6.183 3.537 -2.585 1.00 0.21 C ATOM 291 O VAL A 490 6.282 4.766 -2.540 1.00 0.23 O ATOM 292 CB VAL A 490 8.267 2.629 -3.687 1.00 0.34 C ATOM 293 CG1 VAL A 490 8.936 3.984 -3.868 1.00 0.94 C ATOM 294 CG2 VAL A 490 8.687 2.006 -2.363 1.00 1.06 C ATOM 0 H VAL A 490 7.091 3.774 -5.577 1.00 0.30 H new ATOM 0 HA VAL A 490 6.301 1.743 -3.764 1.00 0.27 H new ATOM 0 HB VAL A 490 8.595 1.975 -4.494 1.00 0.34 H new ATOM 0 HG11 VAL A 490 10.017 3.869 -3.794 1.00 0.94 H new ATOM 0 HG12 VAL A 490 8.680 4.388 -4.848 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.590 4.667 -3.092 1.00 0.94 H new ATOM 0 HG21 VAL A 490 9.774 1.936 -2.323 1.00 1.06 H new ATOM 0 HG22 VAL A 490 8.333 2.627 -1.540 1.00 1.06 H new ATOM 0 HG23 VAL A 490 8.256 1.009 -2.277 1.00 1.06 H new ATOM 304 N GLY A 491 5.602 2.825 -1.628 1.00 0.18 N ATOM 305 CA GLY A 491 5.032 3.467 -0.457 1.00 0.18 C ATOM 306 C GLY A 491 5.277 2.676 0.813 1.00 0.16 C ATOM 307 O GLY A 491 5.879 1.604 0.775 1.00 0.16 O ATOM 0 H GLY A 491 5.515 1.809 -1.641 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.459 4.464 -0.349 1.00 0.18 H new ATOM 0 HA3 GLY A 491 3.959 3.594 -0.602 1.00 0.18 H new ATOM 311 N ARG A 492 4.803 3.204 1.938 1.00 0.17 N ATOM 312 CA ARG A 492 4.928 2.529 3.225 1.00 0.17 C ATOM 313 C ARG A 492 3.571 2.011 3.683 1.00 0.14 C ATOM 314 O ARG A 492 2.687 2.790 4.046 1.00 0.18 O ATOM 315 CB ARG A 492 5.508 3.480 4.274 1.00 0.24 C ATOM 316 CG ARG A 492 6.932 3.911 3.977 1.00 0.37 C ATOM 317 CD ARG A 492 7.887 2.731 4.040 1.00 0.44 C ATOM 318 NE ARG A 492 9.247 3.103 3.669 1.00 0.98 N ATOM 319 CZ ARG A 492 10.311 2.346 3.912 1.00 1.21 C ATOM 320 NH1 ARG A 492 10.190 1.228 4.621 1.00 1.35 N ATOM 321 NH2 ARG A 492 11.503 2.718 3.466 1.00 1.93 N ATOM 0 H ARG A 492 4.325 4.104 1.983 1.00 0.17 H new ATOM 0 HA ARG A 492 5.607 1.684 3.107 1.00 0.17 H new ATOM 0 HB2 ARG A 492 4.875 4.365 4.340 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.480 2.994 5.249 1.00 0.24 H new ATOM 0 HG2 ARG A 492 6.978 4.367 2.988 1.00 0.37 H new ATOM 0 HG3 ARG A 492 7.242 4.672 4.694 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.887 2.319 5.049 1.00 0.44 H new ATOM 0 HD3 ARG A 492 7.533 1.943 3.375 1.00 0.44 H new ATOM 0 HE ARG A 492 9.389 3.995 3.196 1.00 0.98 H new ATOM 0 HH11 ARG A 492 9.277 0.949 4.981 1.00 1.35 H new ATOM 0 HH12 ARG A 492 11.010 0.650 4.805 1.00 1.35 H new ATOM 0 HH21 ARG A 492 11.602 3.585 2.937 1.00 1.93 H new ATOM 0 HH22 ARG A 492 12.321 2.138 3.652 1.00 1.93 H new ATOM 335 N TYR A 493 3.407 0.696 3.635 1.00 0.15 N ATOM 336 CA TYR A 493 2.150 0.056 4.003 1.00 0.14 C ATOM 337 C TYR A 493 1.835 0.284 5.474 1.00 0.14 C ATOM 338 O TYR A 493 2.690 0.081 6.332 1.00 0.15 O ATOM 339 CB TYR A 493 2.234 -1.444 3.721 1.00 0.15 C ATOM 340 CG TYR A 493 0.964 -2.206 4.027 1.00 0.15 C ATOM 341 CD1 TYR A 493 0.888 -3.036 5.138 1.00 1.14 C ATOM 342 CD2 TYR A 493 -0.154 -2.102 3.205 1.00 1.21 C ATOM 343 CE1 TYR A 493 -0.260 -3.747 5.422 1.00 1.15 C ATOM 344 CE2 TYR A 493 -1.308 -2.809 3.487 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.355 -3.631 4.595 1.00 0.19 C ATOM 346 OH TYR A 493 -2.497 -4.350 4.870 1.00 0.23 O ATOM 0 H TYR A 493 4.136 0.046 3.342 1.00 0.15 H new ATOM 0 HA TYR A 493 1.351 0.497 3.407 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.488 -1.591 2.671 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.049 -1.867 4.309 1.00 0.15 H new ATOM 0 HD1 TYR A 493 1.743 -3.127 5.792 1.00 1.14 H new ATOM 0 HD2 TYR A 493 -0.120 -1.461 2.336 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -0.300 -4.391 6.288 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -2.170 -2.719 2.843 1.00 1.21 H new ATOM 0 HH TYR A 493 -2.640 -4.379 5.839 1.00 0.23 H new ATOM 356 N ALA A 494 0.614 0.695 5.770 1.00 0.18 N ATOM 357 CA ALA A 494 0.225 0.924 7.150 1.00 0.21 C ATOM 358 C ALA A 494 -1.138 0.324 7.441 1.00 0.21 C ATOM 359 O ALA A 494 -2.164 0.957 7.205 1.00 0.22 O ATOM 360 CB ALA A 494 0.207 2.411 7.446 1.00 0.25 C ATOM 0 H ALA A 494 -0.117 0.875 5.082 1.00 0.18 H new ATOM 0 HA ALA A 494 0.958 0.436 7.793 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.086 2.572 8.483 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.201 2.827 7.281 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.507 2.905 6.787 1.00 0.25 H new ATOM 366 N GLY A 495 -1.128 -0.878 7.998 1.00 0.22 N ATOM 367 CA GLY A 495 -2.357 -1.550 8.380 1.00 0.23 C ATOM 368 C GLY A 495 -3.395 -1.593 7.277 1.00 0.21 C ATOM 369 O GLY A 495 -3.068 -1.617 6.090 1.00 0.21 O ATOM 0 H GLY A 495 -0.279 -1.408 8.195 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.123 -2.569 8.687 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -2.782 -1.046 9.248 1.00 0.23 H new ATOM 373 N MET A 496 -4.650 -1.602 7.679 1.00 0.22 N ATOM 374 CA MET A 496 -5.762 -1.596 6.741 1.00 0.21 C ATOM 375 C MET A 496 -6.888 -0.721 7.255 1.00 0.22 C ATOM 376 O MET A 496 -7.015 -0.488 8.460 1.00 0.27 O ATOM 377 CB MET A 496 -6.286 -3.011 6.484 1.00 0.23 C ATOM 378 CG MET A 496 -5.659 -3.682 5.277 1.00 0.22 C ATOM 379 SD MET A 496 -6.331 -5.325 4.963 1.00 0.33 S ATOM 380 CE MET A 496 -5.448 -5.763 3.467 1.00 1.68 C ATOM 0 H MET A 496 -4.930 -1.614 8.660 1.00 0.22 H new ATOM 0 HA MET A 496 -5.392 -1.191 5.799 1.00 0.21 H new ATOM 0 HB2 MET A 496 -6.101 -3.624 7.366 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.366 -2.970 6.346 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.815 -3.057 4.398 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.582 -3.758 5.428 1.00 0.22 H new ATOM 0 HE1 MET A 496 -5.753 -6.758 3.142 1.00 1.68 H new ATOM 0 HE2 MET A 496 -5.677 -5.040 2.684 1.00 1.68 H new ATOM 0 HE3 MET A 496 -4.376 -5.759 3.663 1.00 1.68 H new ATOM 390 N THR A 497 -7.697 -0.233 6.340 1.00 0.20 N ATOM 391 CA THR A 497 -8.831 0.590 6.694 1.00 0.22 C ATOM 392 C THR A 497 -10.078 0.105 5.966 1.00 0.22 C ATOM 393 O THR A 497 -10.038 -0.203 4.776 1.00 0.20 O ATOM 394 CB THR A 497 -8.569 2.079 6.373 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.699 2.879 6.739 1.00 0.31 O ATOM 396 CG2 THR A 497 -8.256 2.279 4.897 1.00 0.24 C ATOM 0 H THR A 497 -7.588 -0.394 5.339 1.00 0.20 H new ATOM 0 HA THR A 497 -8.988 0.503 7.769 1.00 0.22 H new ATOM 0 HB THR A 497 -7.703 2.393 6.956 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.516 3.819 6.531 1.00 0.31 H new ATOM 0 HG21 THR A 497 -8.077 3.337 4.703 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.367 1.706 4.633 1.00 0.24 H new ATOM 0 HG23 THR A 497 -9.100 1.938 4.297 1.00 0.24 H new ATOM 404 N THR A 498 -11.178 0.005 6.680 1.00 0.28 N ATOM 405 CA THR A 498 -12.419 -0.404 6.066 1.00 0.29 C ATOM 406 C THR A 498 -13.218 0.828 5.669 1.00 0.29 C ATOM 407 O THR A 498 -13.468 1.710 6.493 1.00 0.36 O ATOM 408 CB THR A 498 -13.241 -1.284 7.016 1.00 0.36 C ATOM 409 OG1 THR A 498 -12.373 -1.870 8.002 1.00 0.84 O ATOM 410 CG2 THR A 498 -13.942 -2.387 6.244 1.00 0.67 C ATOM 0 H THR A 498 -11.237 0.200 7.679 1.00 0.28 H new ATOM 0 HA THR A 498 -12.190 -0.993 5.178 1.00 0.29 H new ATOM 0 HB THR A 498 -13.991 -0.663 7.506 1.00 0.36 H new ATOM 0 HG1 THR A 498 -12.899 -2.431 8.609 1.00 0.84 H new ATOM 0 HG21 THR A 498 -14.521 -3.002 6.933 1.00 0.67 H new ATOM 0 HG22 THR A 498 -14.609 -1.946 5.504 1.00 0.67 H new ATOM 0 HG23 THR A 498 -13.200 -3.007 5.740 1.00 0.67 H new ATOM 418 N LEU A 499 -13.599 0.899 4.406 1.00 0.27 N ATOM 419 CA LEU A 499 -14.292 2.068 3.896 1.00 0.31 C ATOM 420 C LEU A 499 -15.732 1.719 3.567 1.00 0.34 C ATOM 421 O LEU A 499 -16.002 0.850 2.736 1.00 0.39 O ATOM 422 CB LEU A 499 -13.588 2.620 2.650 1.00 0.32 C ATOM 423 CG LEU A 499 -12.132 3.056 2.850 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.550 3.580 1.549 1.00 0.34 C ATOM 425 CD2 LEU A 499 -12.029 4.111 3.942 1.00 0.39 C ATOM 0 H LEU A 499 -13.441 0.164 3.717 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.278 2.837 4.668 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.616 1.858 1.871 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.157 3.474 2.282 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.556 2.185 3.162 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.516 3.885 1.710 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.584 2.795 0.793 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -12.132 4.436 1.209 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -10.987 4.405 4.066 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -12.621 4.982 3.663 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -12.405 3.702 4.880 1.00 0.39 H new ATOM 437 N GLU A 500 -16.652 2.380 4.241 1.00 0.54 N ATOM 438 CA GLU A 500 -18.063 2.161 4.003 1.00 0.62 C ATOM 439 C GLU A 500 -18.617 3.228 3.075 1.00 0.79 C ATOM 440 O GLU A 500 -18.127 4.360 3.048 1.00 0.99 O ATOM 441 CB GLU A 500 -18.841 2.160 5.317 1.00 0.80 C ATOM 442 CG GLU A 500 -18.428 1.053 6.268 1.00 1.25 C ATOM 443 CD GLU A 500 -19.291 1.006 7.509 1.00 1.63 C ATOM 444 OE1 GLU A 500 -20.000 -0.002 7.706 1.00 2.04 O ATOM 445 OE2 GLU A 500 -19.278 1.983 8.285 1.00 2.21 O ATOM 0 H GLU A 500 -16.446 3.074 4.959 1.00 0.54 H new ATOM 0 HA GLU A 500 -18.178 1.186 3.530 1.00 0.62 H new ATOM 0 HB2 GLU A 500 -18.704 3.122 5.811 1.00 0.80 H new ATOM 0 HB3 GLU A 500 -19.905 2.062 5.099 1.00 0.80 H new ATOM 0 HG2 GLU A 500 -18.486 0.094 5.752 1.00 1.25 H new ATOM 0 HG3 GLU A 500 -17.387 1.197 6.558 1.00 1.25 H new ATOM 452 N ALA A 501 -19.624 2.853 2.311 1.00 0.93 N ATOM 453 CA ALA A 501 -20.288 3.765 1.406 1.00 1.17 C ATOM 454 C ALA A 501 -21.786 3.530 1.477 1.00 1.28 C ATOM 455 O ALA A 501 -22.235 2.564 2.101 1.00 1.32 O ATOM 456 CB ALA A 501 -19.776 3.559 -0.009 1.00 1.29 C ATOM 0 H ALA A 501 -20.004 1.906 2.302 1.00 0.93 H new ATOM 0 HA ALA A 501 -20.075 4.794 1.696 1.00 1.17 H new ATOM 0 HB1 ALA A 501 -20.282 4.250 -0.683 1.00 1.29 H new ATOM 0 HB2 ALA A 501 -18.702 3.744 -0.038 1.00 1.29 H new ATOM 0 HB3 ALA A 501 -19.976 2.534 -0.323 1.00 1.29 H new ATOM 462 N GLY A 502 -22.554 4.407 0.851 1.00 1.50 N ATOM 463 CA GLY A 502 -23.997 4.286 0.880 1.00 1.65 C ATOM 464 C GLY A 502 -24.507 3.224 -0.070 1.00 1.94 C ATOM 465 O GLY A 502 -25.229 3.529 -1.022 1.00 2.51 O ATOM 0 H GLY A 502 -22.203 5.204 0.321 1.00 1.50 H new ATOM 0 HA2 GLY A 502 -24.318 4.047 1.894 1.00 1.65 H new ATOM 0 HA3 GLY A 502 -24.444 5.246 0.622 1.00 1.65 H new ATOM 469 N GLY A 503 -24.132 1.981 0.189 1.00 1.76 N ATOM 470 CA GLY A 503 -24.552 0.882 -0.651 1.00 2.10 C ATOM 471 C GLY A 503 -23.513 -0.217 -0.718 1.00 1.94 C ATOM 472 O GLY A 503 -23.823 -1.390 -0.510 1.00 2.03 O ATOM 0 H GLY A 503 -23.538 1.713 0.974 1.00 1.76 H new ATOM 0 HA2 GLY A 503 -25.487 0.472 -0.270 1.00 2.10 H new ATOM 0 HA3 GLY A 503 -24.753 1.252 -1.657 1.00 2.10 H new ATOM 476 N ILE A 504 -22.272 0.159 -0.996 1.00 1.77 N ATOM 477 CA ILE A 504 -21.196 -0.813 -1.137 1.00 1.65 C ATOM 478 C ILE A 504 -20.109 -0.567 -0.099 1.00 1.24 C ATOM 479 O ILE A 504 -19.532 0.516 -0.030 1.00 1.16 O ATOM 480 CB ILE A 504 -20.568 -0.769 -2.549 1.00 1.91 C ATOM 481 CG1 ILE A 504 -21.636 -1.016 -3.617 1.00 2.34 C ATOM 482 CG2 ILE A 504 -19.447 -1.798 -2.666 1.00 1.84 C ATOM 483 CD1 ILE A 504 -21.117 -0.906 -5.035 1.00 2.42 C ATOM 0 H ILE A 504 -21.986 1.129 -1.128 1.00 1.77 H new ATOM 0 HA ILE A 504 -21.635 -1.799 -0.982 1.00 1.65 H new ATOM 0 HB ILE A 504 -20.144 0.222 -2.708 1.00 1.91 H new ATOM 0 HG12 ILE A 504 -22.060 -2.009 -3.471 1.00 2.34 H new ATOM 0 HG13 ILE A 504 -22.446 -0.300 -3.480 1.00 2.34 H new ATOM 0 HG21 ILE A 504 -19.016 -1.754 -3.666 1.00 1.84 H new ATOM 0 HG22 ILE A 504 -18.675 -1.581 -1.928 1.00 1.84 H new ATOM 0 HG23 ILE A 504 -19.849 -2.795 -2.488 1.00 1.84 H new ATOM 0 HD11 ILE A 504 -21.931 -1.094 -5.736 1.00 2.42 H new ATOM 0 HD12 ILE A 504 -20.719 0.095 -5.200 1.00 2.42 H new ATOM 0 HD13 ILE A 504 -20.327 -1.640 -5.191 1.00 2.42 H new ATOM 495 N THR A 505 -19.836 -1.575 0.711 1.00 1.06 N ATOM 496 CA THR A 505 -18.807 -1.476 1.729 1.00 0.72 C ATOM 497 C THR A 505 -17.741 -2.543 1.488 1.00 0.65 C ATOM 498 O THR A 505 -18.015 -3.551 0.834 1.00 0.91 O ATOM 499 CB THR A 505 -19.409 -1.645 3.137 1.00 0.78 C ATOM 500 OG1 THR A 505 -19.996 -2.948 3.265 1.00 1.05 O ATOM 501 CG2 THR A 505 -20.471 -0.589 3.408 1.00 0.91 C ATOM 0 H THR A 505 -20.315 -2.475 0.682 1.00 1.06 H new ATOM 0 HA THR A 505 -18.353 -0.487 1.668 1.00 0.72 H new ATOM 0 HB THR A 505 -18.605 -1.528 3.863 1.00 0.78 H new ATOM 0 HG1 THR A 505 -20.375 -3.049 4.163 1.00 1.05 H new ATOM 0 HG21 THR A 505 -20.879 -0.732 4.409 1.00 0.91 H new ATOM 0 HG22 THR A 505 -20.025 0.403 3.336 1.00 0.91 H new ATOM 0 HG23 THR A 505 -21.271 -0.681 2.673 1.00 0.91 H new ATOM 509 N GLY A 506 -16.533 -2.330 1.997 1.00 0.48 N ATOM 510 CA GLY A 506 -15.482 -3.305 1.790 1.00 0.58 C ATOM 511 C GLY A 506 -14.206 -2.951 2.519 1.00 0.45 C ATOM 512 O GLY A 506 -14.087 -1.861 3.085 1.00 0.43 O ATOM 0 H GLY A 506 -16.266 -1.510 2.542 1.00 0.48 H new ATOM 0 HA2 GLY A 506 -15.828 -4.283 2.125 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -15.275 -3.389 0.723 1.00 0.58 H new ATOM 516 N GLU A 507 -13.255 -3.876 2.512 1.00 0.41 N ATOM 517 CA GLU A 507 -11.965 -3.656 3.147 1.00 0.34 C ATOM 518 C GLU A 507 -10.988 -3.028 2.170 1.00 0.27 C ATOM 519 O GLU A 507 -10.979 -3.355 0.982 1.00 0.30 O ATOM 520 CB GLU A 507 -11.389 -4.965 3.667 1.00 0.42 C ATOM 521 CG GLU A 507 -12.207 -5.606 4.773 1.00 0.56 C ATOM 522 CD GLU A 507 -11.530 -6.828 5.349 1.00 0.78 C ATOM 523 OE1 GLU A 507 -11.657 -7.917 4.755 1.00 1.27 O ATOM 524 OE2 GLU A 507 -10.862 -6.704 6.398 1.00 1.63 O ATOM 0 H GLU A 507 -13.355 -4.790 2.071 1.00 0.41 H new ATOM 0 HA GLU A 507 -12.119 -2.977 3.986 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -11.305 -5.668 2.838 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -10.379 -4.784 4.035 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -12.375 -4.878 5.567 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -13.186 -5.885 4.383 1.00 0.56 H new ATOM 531 N TYR A 508 -10.167 -2.124 2.674 1.00 0.21 N ATOM 532 CA TYR A 508 -9.215 -1.415 1.839 1.00 0.17 C ATOM 533 C TYR A 508 -7.853 -1.339 2.490 1.00 0.15 C ATOM 534 O TYR A 508 -7.710 -1.259 3.712 1.00 0.21 O ATOM 535 CB TYR A 508 -9.728 -0.009 1.522 1.00 0.19 C ATOM 536 CG TYR A 508 -10.934 -0.001 0.610 1.00 0.26 C ATOM 537 CD1 TYR A 508 -12.206 -0.237 1.110 1.00 1.05 C ATOM 538 CD2 TYR A 508 -10.799 0.233 -0.750 1.00 1.38 C ATOM 539 CE1 TYR A 508 -13.309 -0.243 0.284 1.00 1.02 C ATOM 540 CE2 TYR A 508 -11.899 0.232 -1.586 1.00 1.45 C ATOM 541 CZ TYR A 508 -13.152 -0.007 -1.064 1.00 0.45 C ATOM 542 OH TYR A 508 -14.250 -0.008 -1.895 1.00 0.54 O ATOM 0 H TYR A 508 -10.141 -1.863 3.660 1.00 0.21 H new ATOM 0 HA TYR A 508 -9.110 -1.974 0.909 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.983 0.495 2.454 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.927 0.566 1.058 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -12.334 -0.420 2.167 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -9.818 0.419 -1.162 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -14.291 -0.432 0.691 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -11.778 0.418 -2.643 1.00 1.45 H new ATOM 0 HH TYR A 508 -13.965 0.176 -2.814 1.00 0.54 H new ATOM 552 N LEU A 509 -6.862 -1.393 1.638 1.00 0.19 N ATOM 553 CA LEU A 509 -5.481 -1.280 2.020 1.00 0.26 C ATOM 554 C LEU A 509 -5.169 0.157 2.408 1.00 0.21 C ATOM 555 O LEU A 509 -5.625 1.094 1.751 1.00 0.19 O ATOM 556 CB LEU A 509 -4.648 -1.757 0.825 1.00 0.43 C ATOM 557 CG LEU A 509 -3.171 -1.381 0.788 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.448 -2.347 -0.126 1.00 0.98 C ATOM 559 CD2 LEU A 509 -2.978 0.035 0.277 1.00 1.06 C ATOM 0 H LEU A 509 -6.998 -1.520 0.635 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.247 -1.892 2.891 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -4.717 -2.844 0.782 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -5.114 -1.372 -0.082 1.00 0.43 H new ATOM 0 HG LEU A 509 -2.769 -1.434 1.800 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -1.389 -2.090 -0.162 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -2.562 -3.362 0.254 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.871 -2.285 -1.129 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -1.915 0.275 0.262 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -3.383 0.116 -0.732 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.498 0.733 0.934 1.00 1.06 H new ATOM 571 N MET A 510 -4.406 0.327 3.475 1.00 0.22 N ATOM 572 CA MET A 510 -4.016 1.650 3.916 1.00 0.21 C ATOM 573 C MET A 510 -2.523 1.840 3.699 1.00 0.17 C ATOM 574 O MET A 510 -1.703 1.146 4.296 1.00 0.23 O ATOM 575 CB MET A 510 -4.366 1.847 5.391 1.00 0.27 C ATOM 576 CG MET A 510 -4.971 3.207 5.690 1.00 0.31 C ATOM 577 SD MET A 510 -5.449 3.391 7.417 1.00 0.50 S ATOM 578 CE MET A 510 -6.213 5.010 7.376 1.00 1.53 C ATOM 0 H MET A 510 -4.046 -0.435 4.049 1.00 0.22 H new ATOM 0 HA MET A 510 -4.560 2.393 3.333 1.00 0.21 H new ATOM 0 HB2 MET A 510 -5.067 1.070 5.697 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.465 1.718 5.991 1.00 0.27 H new ATOM 0 HG2 MET A 510 -4.252 3.985 5.431 1.00 0.31 H new ATOM 0 HG3 MET A 510 -5.846 3.358 5.057 1.00 0.31 H new ATOM 0 HE1 MET A 510 -6.516 5.295 8.384 1.00 1.53 H new ATOM 0 HE2 MET A 510 -5.500 5.739 6.991 1.00 1.53 H new ATOM 0 HE3 MET A 510 -7.089 4.983 6.728 1.00 1.53 H new ATOM 588 N LEU A 511 -2.171 2.756 2.817 1.00 0.15 N ATOM 589 CA LEU A 511 -0.775 3.020 2.519 1.00 0.13 C ATOM 590 C LEU A 511 -0.424 4.460 2.826 1.00 0.14 C ATOM 591 O LEU A 511 -1.281 5.343 2.772 1.00 0.20 O ATOM 592 CB LEU A 511 -0.474 2.707 1.055 1.00 0.17 C ATOM 593 CG LEU A 511 0.542 1.595 0.833 1.00 0.21 C ATOM 594 CD1 LEU A 511 0.297 0.904 -0.488 1.00 0.83 C ATOM 595 CD2 LEU A 511 1.941 2.163 0.859 1.00 0.69 C ATOM 0 H LEU A 511 -2.832 3.330 2.294 1.00 0.15 H new ATOM 0 HA LEU A 511 -0.165 2.373 3.150 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.405 2.433 0.558 1.00 0.17 H new ATOM 0 HB3 LEU A 511 -0.110 3.614 0.572 1.00 0.17 H new ATOM 0 HG LEU A 511 0.433 0.864 1.634 1.00 0.21 H new ATOM 0 HD11 LEU A 511 1.034 0.113 -0.627 1.00 0.83 H new ATOM 0 HD12 LEU A 511 -0.704 0.472 -0.493 1.00 0.83 H new ATOM 0 HD13 LEU A 511 0.384 1.627 -1.299 1.00 0.83 H new ATOM 0 HD21 LEU A 511 2.662 1.361 0.700 1.00 0.69 H new ATOM 0 HD22 LEU A 511 2.046 2.908 0.070 1.00 0.69 H new ATOM 0 HD23 LEU A 511 2.126 2.630 1.826 1.00 0.69 H new ATOM 607 N THR A 512 0.832 4.685 3.159 1.00 0.15 N ATOM 608 CA THR A 512 1.307 6.011 3.468 1.00 0.19 C ATOM 609 C THR A 512 2.539 6.331 2.642 1.00 0.16 C ATOM 610 O THR A 512 3.509 5.572 2.632 1.00 0.21 O ATOM 611 CB THR A 512 1.645 6.145 4.961 1.00 0.28 C ATOM 612 OG1 THR A 512 1.224 4.965 5.663 1.00 0.58 O ATOM 613 CG2 THR A 512 0.957 7.361 5.554 1.00 0.55 C ATOM 0 H THR A 512 1.544 3.957 3.222 1.00 0.15 H new ATOM 0 HA THR A 512 0.511 6.715 3.227 1.00 0.19 H new ATOM 0 HB THR A 512 2.723 6.265 5.064 1.00 0.28 H new ATOM 0 HG1 THR A 512 1.443 5.054 6.614 1.00 0.58 H new ATOM 0 HG21 THR A 512 1.207 7.441 6.612 1.00 0.55 H new ATOM 0 HG22 THR A 512 1.291 8.258 5.033 1.00 0.55 H new ATOM 0 HG23 THR A 512 -0.122 7.258 5.443 1.00 0.55 H new ATOM 621 N TYR A 513 2.486 7.432 1.924 1.00 0.16 N ATOM 622 CA TYR A 513 3.614 7.871 1.133 1.00 0.19 C ATOM 623 C TYR A 513 4.249 9.090 1.776 1.00 0.24 C ATOM 624 O TYR A 513 3.960 9.403 2.934 1.00 0.27 O ATOM 625 CB TYR A 513 3.188 8.190 -0.299 1.00 0.21 C ATOM 626 CG TYR A 513 2.849 6.979 -1.143 1.00 0.19 C ATOM 627 CD1 TYR A 513 3.458 6.788 -2.376 1.00 1.10 C ATOM 628 CD2 TYR A 513 1.928 6.031 -0.716 1.00 1.12 C ATOM 629 CE1 TYR A 513 3.162 5.693 -3.156 1.00 1.08 C ATOM 630 CE2 TYR A 513 1.628 4.932 -1.493 1.00 1.16 C ATOM 631 CZ TYR A 513 2.248 4.768 -2.712 1.00 0.24 C ATOM 632 OH TYR A 513 1.955 3.674 -3.490 1.00 0.28 O ATOM 0 H TYR A 513 1.670 8.042 1.872 1.00 0.16 H new ATOM 0 HA TYR A 513 4.344 7.063 1.095 1.00 0.19 H new ATOM 0 HB2 TYR A 513 2.320 8.848 -0.267 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.990 8.743 -0.787 1.00 0.21 H new ATOM 0 HD1 TYR A 513 4.177 7.512 -2.730 1.00 1.10 H new ATOM 0 HD2 TYR A 513 1.439 6.157 0.239 1.00 1.12 H new ATOM 0 HE1 TYR A 513 3.646 5.562 -4.113 1.00 1.08 H new ATOM 0 HE2 TYR A 513 0.910 4.203 -1.147 1.00 1.16 H new ATOM 0 HH TYR A 513 2.641 3.572 -4.182 1.00 0.28 H new ATOM 642 N ALA A 514 5.113 9.769 1.037 1.00 0.28 N ATOM 643 CA ALA A 514 5.736 10.986 1.532 1.00 0.33 C ATOM 644 C ALA A 514 4.678 12.040 1.852 1.00 0.31 C ATOM 645 O ALA A 514 3.622 12.082 1.214 1.00 0.31 O ATOM 646 CB ALA A 514 6.736 11.513 0.519 1.00 0.43 C ATOM 0 H ALA A 514 5.398 9.499 0.096 1.00 0.28 H new ATOM 0 HA ALA A 514 6.270 10.755 2.454 1.00 0.33 H new ATOM 0 HB1 ALA A 514 7.195 12.424 0.902 1.00 0.43 H new ATOM 0 HB2 ALA A 514 7.508 10.763 0.345 1.00 0.43 H new ATOM 0 HB3 ALA A 514 6.224 11.731 -0.418 1.00 0.43 H new ATOM 652 N ASN A 515 4.964 12.863 2.858 1.00 0.36 N ATOM 653 CA ASN A 515 4.041 13.902 3.327 1.00 0.40 C ATOM 654 C ASN A 515 2.771 13.270 3.899 1.00 0.39 C ATOM 655 O ASN A 515 1.698 13.874 3.889 1.00 0.44 O ATOM 656 CB ASN A 515 3.694 14.883 2.195 1.00 0.43 C ATOM 657 CG ASN A 515 3.038 16.158 2.700 1.00 1.29 C ATOM 658 OD1 ASN A 515 3.319 16.621 3.806 1.00 2.26 O ATOM 659 ND2 ASN A 515 2.159 16.734 1.896 1.00 1.69 N ATOM 0 H ASN A 515 5.843 12.831 3.374 1.00 0.36 H new ATOM 0 HA ASN A 515 4.537 14.464 4.119 1.00 0.40 H new ATOM 0 HB2 ASN A 515 4.603 15.139 1.651 1.00 0.43 H new ATOM 0 HB3 ASN A 515 3.026 14.392 1.487 1.00 0.43 H new ATOM 0 HD21 ASN A 515 1.688 17.591 2.185 1.00 1.69 H new ATOM 0 HD22 ASN A 515 1.952 16.321 0.987 1.00 1.69 H new ATOM 666 N ASP A 516 2.913 12.033 4.381 1.00 0.36 N ATOM 667 CA ASP A 516 1.815 11.286 5.001 1.00 0.37 C ATOM 668 C ASP A 516 0.622 11.144 4.062 1.00 0.34 C ATOM 669 O ASP A 516 -0.524 11.064 4.509 1.00 0.41 O ATOM 670 CB ASP A 516 1.376 11.941 6.313 1.00 0.45 C ATOM 671 CG ASP A 516 2.333 11.666 7.453 1.00 0.89 C ATOM 672 OD1 ASP A 516 2.161 10.636 8.141 1.00 1.60 O ATOM 673 OD2 ASP A 516 3.259 12.476 7.673 1.00 1.62 O ATOM 0 H ASP A 516 3.794 11.520 4.352 1.00 0.36 H new ATOM 0 HA ASP A 516 2.194 10.287 5.216 1.00 0.37 H new ATOM 0 HB2 ASP A 516 1.292 13.018 6.166 1.00 0.45 H new ATOM 0 HB3 ASP A 516 0.384 11.578 6.581 1.00 0.45 H new ATOM 678 N ALA A 517 0.896 11.112 2.765 1.00 0.31 N ATOM 679 CA ALA A 517 -0.151 10.944 1.770 1.00 0.30 C ATOM 680 C ALA A 517 -0.765 9.554 1.879 1.00 0.25 C ATOM 681 O ALA A 517 -0.050 8.553 1.938 1.00 0.23 O ATOM 682 CB ALA A 517 0.402 11.180 0.376 1.00 0.32 C ATOM 0 H ALA A 517 1.836 11.200 2.378 1.00 0.31 H new ATOM 0 HA ALA A 517 -0.933 11.680 1.956 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.394 11.051 -0.358 1.00 0.32 H new ATOM 0 HB2 ALA A 517 0.797 12.194 0.308 1.00 0.32 H new ATOM 0 HB3 ALA A 517 1.200 10.465 0.175 1.00 0.32 H new ATOM 688 N LYS A 518 -2.087 9.499 1.907 1.00 0.28 N ATOM 689 CA LYS A 518 -2.800 8.252 2.141 1.00 0.28 C ATOM 690 C LYS A 518 -3.225 7.599 0.832 1.00 0.24 C ATOM 691 O LYS A 518 -3.703 8.269 -0.087 1.00 0.38 O ATOM 692 CB LYS A 518 -4.028 8.505 3.019 1.00 0.41 C ATOM 693 CG LYS A 518 -3.696 9.026 4.408 1.00 0.56 C ATOM 694 CD LYS A 518 -3.058 7.954 5.278 1.00 0.64 C ATOM 695 CE LYS A 518 -2.715 8.492 6.660 1.00 0.99 C ATOM 696 NZ LYS A 518 -2.204 7.431 7.568 1.00 1.55 N ATOM 0 H LYS A 518 -2.692 10.309 1.770 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.121 7.571 2.654 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -4.679 9.222 2.519 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -4.591 7.577 3.115 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -3.019 9.876 4.325 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -4.606 9.388 4.887 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -3.739 7.108 5.374 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -2.154 7.582 4.796 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -1.966 9.278 6.566 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -3.602 8.948 7.100 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -2.240 7.768 8.551 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -2.793 6.579 7.472 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -1.221 7.203 7.317 1.00 1.55 H new ATOM 710 N LEU A 519 -3.038 6.294 0.756 1.00 0.16 N ATOM 711 CA LEU A 519 -3.451 5.519 -0.402 1.00 0.15 C ATOM 712 C LEU A 519 -4.412 4.417 0.031 1.00 0.14 C ATOM 713 O LEU A 519 -4.097 3.632 0.925 1.00 0.21 O ATOM 714 CB LEU A 519 -2.222 4.920 -1.094 1.00 0.20 C ATOM 715 CG LEU A 519 -2.502 3.986 -2.276 1.00 0.25 C ATOM 716 CD1 LEU A 519 -3.316 4.696 -3.347 1.00 0.89 C ATOM 717 CD2 LEU A 519 -1.200 3.476 -2.858 1.00 0.72 C ATOM 0 H LEU A 519 -2.597 5.742 1.492 1.00 0.16 H new ATOM 0 HA LEU A 519 -3.964 6.171 -1.109 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.593 5.738 -1.445 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.644 4.370 -0.351 1.00 0.20 H new ATOM 0 HG LEU A 519 -3.083 3.138 -1.913 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -3.502 4.013 -4.176 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -4.267 5.022 -2.925 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -2.763 5.563 -3.709 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -1.411 2.813 -3.697 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -0.601 4.319 -3.203 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -0.649 2.928 -2.093 1.00 0.72 H new ATOM 729 N TYR A 520 -5.586 4.375 -0.588 1.00 0.12 N ATOM 730 CA TYR A 520 -6.592 3.373 -0.258 1.00 0.14 C ATOM 731 C TYR A 520 -6.816 2.450 -1.447 1.00 0.16 C ATOM 732 O TYR A 520 -7.268 2.883 -2.509 1.00 0.22 O ATOM 733 CB TYR A 520 -7.905 4.047 0.148 1.00 0.19 C ATOM 734 CG TYR A 520 -7.737 5.076 1.242 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.717 6.434 0.950 1.00 0.96 C ATOM 736 CD2 TYR A 520 -7.589 4.689 2.564 1.00 1.05 C ATOM 737 CE1 TYR A 520 -7.555 7.375 1.949 1.00 0.97 C ATOM 738 CE2 TYR A 520 -7.428 5.624 3.569 1.00 1.10 C ATOM 739 CZ TYR A 520 -7.411 6.965 3.256 1.00 0.40 C ATOM 740 OH TYR A 520 -7.251 7.898 4.253 1.00 0.50 O ATOM 0 H TYR A 520 -5.865 5.025 -1.323 1.00 0.12 H new ATOM 0 HA TYR A 520 -6.235 2.781 0.585 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.345 4.526 -0.727 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.609 3.284 0.481 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -7.830 6.759 -0.074 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -7.600 3.638 2.814 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -7.541 8.427 1.706 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -7.316 5.305 4.595 1.00 1.10 H new ATOM 0 HH TYR A 520 -7.165 7.443 5.116 1.00 0.50 H new ATOM 750 N VAL A 521 -6.488 1.183 -1.268 1.00 0.17 N ATOM 751 CA VAL A 521 -6.518 0.219 -2.360 1.00 0.17 C ATOM 752 C VAL A 521 -7.431 -0.950 -2.026 1.00 0.18 C ATOM 753 O VAL A 521 -7.294 -1.570 -0.975 1.00 0.20 O ATOM 754 CB VAL A 521 -5.085 -0.273 -2.667 1.00 0.19 C ATOM 755 CG1 VAL A 521 -5.044 -1.317 -3.782 1.00 0.33 C ATOM 756 CG2 VAL A 521 -4.231 0.922 -3.028 1.00 0.28 C ATOM 0 H VAL A 521 -6.196 0.793 -0.372 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.918 0.709 -3.248 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.696 -0.765 -1.776 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -4.013 -1.625 -3.954 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.638 -2.183 -3.491 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.452 -0.888 -4.697 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -3.216 0.591 -3.247 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.649 1.416 -3.905 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -4.212 1.621 -2.192 1.00 0.28 H new ATOM 766 N PRO A 522 -8.391 -1.247 -2.910 1.00 0.19 N ATOM 767 CA PRO A 522 -9.360 -2.319 -2.686 1.00 0.22 C ATOM 768 C PRO A 522 -8.684 -3.680 -2.589 1.00 0.20 C ATOM 769 O PRO A 522 -7.735 -3.967 -3.323 1.00 0.19 O ATOM 770 CB PRO A 522 -10.273 -2.257 -3.917 1.00 0.25 C ATOM 771 CG PRO A 522 -9.502 -1.506 -4.948 1.00 0.22 C ATOM 772 CD PRO A 522 -8.598 -0.568 -4.200 1.00 0.19 C ATOM 0 HA PRO A 522 -9.898 -2.192 -1.747 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.527 -3.257 -4.268 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -11.211 -1.753 -3.685 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -8.924 -2.187 -5.573 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -10.171 -0.956 -5.610 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.657 -0.412 -4.727 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -9.056 0.412 -4.069 1.00 0.19 H new ATOM 780 N VAL A 523 -9.179 -4.518 -1.684 1.00 0.22 N ATOM 781 CA VAL A 523 -8.604 -5.843 -1.466 1.00 0.24 C ATOM 782 C VAL A 523 -8.831 -6.763 -2.667 1.00 0.25 C ATOM 783 O VAL A 523 -8.337 -7.887 -2.701 1.00 0.32 O ATOM 784 CB VAL A 523 -9.155 -6.515 -0.190 1.00 0.29 C ATOM 785 CG1 VAL A 523 -8.652 -5.789 1.049 1.00 0.31 C ATOM 786 CG2 VAL A 523 -10.676 -6.553 -0.206 1.00 0.30 C ATOM 0 H VAL A 523 -9.979 -4.304 -1.088 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.533 -5.689 -1.338 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.793 -7.543 -0.164 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -9.049 -6.274 1.941 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -7.563 -5.821 1.072 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.984 -4.751 1.022 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -11.038 -7.031 0.704 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -11.065 -5.536 -0.261 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -11.017 -7.119 -1.073 1.00 0.30 H new ATOM 796 N SER A 524 -9.574 -6.277 -3.647 1.00 0.24 N ATOM 797 CA SER A 524 -9.798 -7.012 -4.880 1.00 0.28 C ATOM 798 C SER A 524 -8.682 -6.725 -5.890 1.00 0.28 C ATOM 799 O SER A 524 -8.558 -7.412 -6.905 1.00 0.37 O ATOM 800 CB SER A 524 -11.163 -6.631 -5.461 1.00 0.36 C ATOM 801 OG SER A 524 -11.455 -7.352 -6.648 1.00 1.34 O ATOM 0 H SER A 524 -10.036 -5.368 -3.611 1.00 0.24 H new ATOM 0 HA SER A 524 -9.788 -8.080 -4.665 1.00 0.28 H new ATOM 0 HB2 SER A 524 -11.939 -6.823 -4.720 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.182 -5.562 -5.672 1.00 0.36 H new ATOM 0 HG SER A 524 -10.626 -7.716 -7.022 1.00 1.34 H new ATOM 807 N SER A 525 -7.860 -5.722 -5.601 1.00 0.24 N ATOM 808 CA SER A 525 -6.806 -5.302 -6.519 1.00 0.25 C ATOM 809 C SER A 525 -5.420 -5.537 -5.914 1.00 0.24 C ATOM 810 O SER A 525 -4.446 -4.883 -6.287 1.00 0.27 O ATOM 811 CB SER A 525 -6.987 -3.824 -6.865 1.00 0.27 C ATOM 812 OG SER A 525 -8.296 -3.575 -7.352 1.00 0.28 O ATOM 0 H SER A 525 -7.903 -5.183 -4.736 1.00 0.24 H new ATOM 0 HA SER A 525 -6.880 -5.900 -7.427 1.00 0.25 H new ATOM 0 HB2 SER A 525 -6.801 -3.214 -5.981 1.00 0.27 H new ATOM 0 HB3 SER A 525 -6.253 -3.529 -7.615 1.00 0.27 H new ATOM 0 HG SER A 525 -8.375 -2.633 -7.610 1.00 0.28 H new ATOM 818 N LEU A 526 -5.337 -6.488 -4.995 1.00 0.25 N ATOM 819 CA LEU A 526 -4.111 -6.724 -4.238 1.00 0.26 C ATOM 820 C LEU A 526 -3.029 -7.409 -5.073 1.00 0.30 C ATOM 821 O LEU A 526 -1.844 -7.310 -4.755 1.00 0.39 O ATOM 822 CB LEU A 526 -4.416 -7.568 -3.003 1.00 0.31 C ATOM 823 CG LEU A 526 -5.296 -6.899 -1.948 1.00 0.38 C ATOM 824 CD1 LEU A 526 -5.561 -7.854 -0.792 1.00 0.51 C ATOM 825 CD2 LEU A 526 -4.647 -5.619 -1.445 1.00 0.46 C ATOM 0 H LEU A 526 -6.106 -7.112 -4.753 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.726 -5.749 -3.941 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -4.902 -8.489 -3.325 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.473 -7.852 -2.537 1.00 0.31 H new ATOM 0 HG LEU A 526 -6.250 -6.642 -2.408 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -6.189 -7.361 -0.050 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -6.069 -8.744 -1.164 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -4.615 -8.141 -0.333 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -5.288 -5.157 -0.694 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -3.679 -5.852 -1.002 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -4.508 -4.930 -2.278 1.00 0.46 H new ATOM 837 N HIS A 527 -3.423 -8.093 -6.142 1.00 0.31 N ATOM 838 CA HIS A 527 -2.458 -8.831 -6.963 1.00 0.41 C ATOM 839 C HIS A 527 -1.651 -7.891 -7.847 1.00 0.44 C ATOM 840 O HIS A 527 -0.672 -8.299 -8.472 1.00 0.64 O ATOM 841 CB HIS A 527 -3.147 -9.891 -7.826 1.00 0.50 C ATOM 842 CG HIS A 527 -3.662 -11.061 -7.045 1.00 1.49 C ATOM 843 ND1 HIS A 527 -3.109 -12.322 -7.117 1.00 2.24 N ATOM 844 CD2 HIS A 527 -4.686 -11.155 -6.171 1.00 2.53 C ATOM 845 CE1 HIS A 527 -3.773 -13.137 -6.320 1.00 3.18 C ATOM 846 NE2 HIS A 527 -4.735 -12.453 -5.734 1.00 3.40 N ATOM 0 H HIS A 527 -4.390 -8.155 -6.461 1.00 0.31 H new ATOM 0 HA HIS A 527 -1.778 -9.335 -6.276 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -3.977 -9.429 -8.361 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -2.443 -10.248 -8.578 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -5.346 -10.354 -5.871 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -3.564 -14.186 -6.173 1.00 3.18 H new ATOM 0 HE2 HIS A 527 -5.407 -12.828 -5.064 1.00 3.40 H new ATOM 855 N LEU A 528 -2.061 -6.631 -7.894 1.00 0.33 N ATOM 856 CA LEU A 528 -1.339 -5.627 -8.658 1.00 0.38 C ATOM 857 C LEU A 528 -0.150 -5.122 -7.855 1.00 0.41 C ATOM 858 O LEU A 528 0.815 -4.598 -8.410 1.00 0.57 O ATOM 859 CB LEU A 528 -2.245 -4.440 -8.988 1.00 0.36 C ATOM 860 CG LEU A 528 -3.564 -4.775 -9.682 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.384 -3.510 -9.883 1.00 0.34 C ATOM 862 CD2 LEU A 528 -3.307 -5.457 -11.015 1.00 0.42 C ATOM 0 H LEU A 528 -2.889 -6.281 -7.412 1.00 0.33 H new ATOM 0 HA LEU A 528 -0.999 -6.089 -9.585 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -2.469 -3.911 -8.062 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -1.689 -3.750 -9.622 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.126 -5.461 -9.049 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.322 -3.760 -10.378 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -4.595 -3.055 -8.915 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -3.824 -2.807 -10.500 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -4.258 -5.688 -11.495 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.728 -4.794 -11.658 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.750 -6.379 -10.850 1.00 0.42 H new ATOM 874 N ILE A 529 -0.227 -5.300 -6.546 1.00 0.31 N ATOM 875 CA ILE A 529 0.734 -4.709 -5.630 1.00 0.29 C ATOM 876 C ILE A 529 1.901 -5.663 -5.376 1.00 0.31 C ATOM 877 O ILE A 529 1.729 -6.881 -5.344 1.00 0.42 O ATOM 878 CB ILE A 529 0.062 -4.358 -4.284 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.367 -3.830 -4.507 1.00 0.32 C ATOM 880 CG2 ILE A 529 0.895 -3.331 -3.522 1.00 0.33 C ATOM 881 CD1 ILE A 529 -1.440 -2.455 -5.131 1.00 0.43 C ATOM 0 H ILE A 529 -0.952 -5.854 -6.091 1.00 0.31 H new ATOM 0 HA ILE A 529 1.112 -3.797 -6.092 1.00 0.29 H new ATOM 0 HB ILE A 529 0.001 -5.268 -3.687 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -1.904 -4.533 -5.144 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -1.886 -3.808 -3.549 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.406 -3.096 -2.576 1.00 0.33 H new ATOM 0 HG22 ILE A 529 1.886 -3.740 -3.326 1.00 0.33 H new ATOM 0 HG23 ILE A 529 0.988 -2.423 -4.118 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -2.484 -2.165 -5.251 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.935 -1.736 -4.486 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.954 -2.472 -6.107 1.00 0.43 H new ATOM 893 N SER A 530 3.088 -5.104 -5.206 1.00 0.31 N ATOM 894 CA SER A 530 4.273 -5.893 -4.924 1.00 0.37 C ATOM 895 C SER A 530 5.050 -5.240 -3.786 1.00 0.31 C ATOM 896 O SER A 530 4.716 -4.134 -3.368 1.00 0.35 O ATOM 897 CB SER A 530 5.118 -6.013 -6.194 1.00 0.45 C ATOM 898 OG SER A 530 4.458 -6.811 -7.165 1.00 0.99 O ATOM 0 H SER A 530 3.255 -4.099 -5.259 1.00 0.31 H new ATOM 0 HA SER A 530 3.997 -6.900 -4.611 1.00 0.37 H new ATOM 0 HB2 SER A 530 5.312 -5.021 -6.602 1.00 0.45 H new ATOM 0 HB3 SER A 530 6.086 -6.453 -5.952 1.00 0.45 H new ATOM 0 HG SER A 530 5.014 -6.874 -7.970 1.00 0.99 H new ATOM 904 N ARG A 531 6.069 -5.908 -3.265 1.00 0.39 N ATOM 905 CA ARG A 531 6.804 -5.359 -2.133 1.00 0.42 C ATOM 906 C ARG A 531 8.304 -5.462 -2.356 1.00 0.36 C ATOM 907 O ARG A 531 8.767 -6.253 -3.176 1.00 0.41 O ATOM 908 CB ARG A 531 6.403 -6.059 -0.821 1.00 0.57 C ATOM 909 CG ARG A 531 7.225 -7.295 -0.463 1.00 0.54 C ATOM 910 CD ARG A 531 6.992 -8.455 -1.417 1.00 0.95 C ATOM 911 NE ARG A 531 7.718 -9.652 -0.995 1.00 1.31 N ATOM 912 CZ ARG A 531 8.050 -10.653 -1.807 1.00 1.92 C ATOM 913 NH1 ARG A 531 7.719 -10.616 -3.091 1.00 2.47 N ATOM 914 NH2 ARG A 531 8.718 -11.692 -1.332 1.00 2.51 N ATOM 0 H ARG A 531 6.401 -6.813 -3.599 1.00 0.39 H new ATOM 0 HA ARG A 531 6.543 -4.304 -2.049 1.00 0.42 H new ATOM 0 HB2 ARG A 531 6.484 -5.340 -0.006 1.00 0.57 H new ATOM 0 HB3 ARG A 531 5.354 -6.348 -0.888 1.00 0.57 H new ATOM 0 HG2 ARG A 531 8.284 -7.035 -0.466 1.00 0.54 H new ATOM 0 HG3 ARG A 531 6.977 -7.609 0.551 1.00 0.54 H new ATOM 0 HD2 ARG A 531 5.926 -8.675 -1.470 1.00 0.95 H new ATOM 0 HD3 ARG A 531 7.309 -8.171 -2.420 1.00 0.95 H new ATOM 0 HE ARG A 531 7.988 -9.725 -0.014 1.00 1.31 H new ATOM 0 HH11 ARG A 531 7.206 -9.816 -3.463 1.00 2.47 H new ATOM 0 HH12 ARG A 531 7.977 -11.387 -3.707 1.00 2.47 H new ATOM 0 HH21 ARG A 531 8.977 -11.724 -0.346 1.00 2.51 H new ATOM 0 HH22 ARG A 531 8.974 -12.461 -1.952 1.00 2.51 H new ATOM 928 N TYR A 532 9.051 -4.643 -1.628 1.00 0.37 N ATOM 929 CA TYR A 532 10.502 -4.680 -1.680 1.00 0.50 C ATOM 930 C TYR A 532 11.024 -5.918 -0.966 1.00 0.77 C ATOM 931 O TYR A 532 11.255 -5.903 0.245 1.00 1.57 O ATOM 932 CB TYR A 532 11.091 -3.416 -1.049 1.00 0.57 C ATOM 933 CG TYR A 532 11.414 -2.329 -2.048 1.00 0.48 C ATOM 934 CD1 TYR A 532 12.706 -2.187 -2.535 1.00 1.43 C ATOM 935 CD2 TYR A 532 10.437 -1.450 -2.506 1.00 1.15 C ATOM 936 CE1 TYR A 532 13.020 -1.203 -3.449 1.00 1.48 C ATOM 937 CE2 TYR A 532 10.747 -0.463 -3.423 1.00 1.24 C ATOM 938 CZ TYR A 532 12.038 -0.345 -3.890 1.00 0.77 C ATOM 939 OH TYR A 532 12.349 0.635 -4.805 1.00 1.01 O ATOM 0 H TYR A 532 8.671 -3.942 -0.992 1.00 0.37 H new ATOM 0 HA TYR A 532 10.811 -4.723 -2.724 1.00 0.50 H new ATOM 0 HB2 TYR A 532 10.386 -3.025 -0.316 1.00 0.57 H new ATOM 0 HB3 TYR A 532 11.999 -3.681 -0.508 1.00 0.57 H new ATOM 0 HD1 TYR A 532 13.479 -2.859 -2.192 1.00 1.43 H new ATOM 0 HD2 TYR A 532 9.425 -1.540 -2.141 1.00 1.15 H new ATOM 0 HE1 TYR A 532 14.031 -1.106 -3.817 1.00 1.48 H new ATOM 0 HE2 TYR A 532 9.980 0.213 -3.772 1.00 1.24 H new ATOM 0 HH TYR A 532 11.545 1.155 -5.014 1.00 1.01 H new ATOM 949 N ALA A 533 11.177 -6.995 -1.720 1.00 0.88 N ATOM 950 CA ALA A 533 11.661 -8.252 -1.176 1.00 1.11 C ATOM 951 C ALA A 533 13.138 -8.158 -0.831 1.00 1.43 C ATOM 952 O ALA A 533 13.982 -8.015 -1.717 1.00 1.88 O ATOM 953 CB ALA A 533 11.419 -9.383 -2.164 1.00 1.66 C ATOM 0 H ALA A 533 10.971 -7.022 -2.719 1.00 0.88 H new ATOM 0 HA ALA A 533 11.110 -8.463 -0.260 1.00 1.11 H new ATOM 0 HB1 ALA A 533 11.787 -10.319 -1.743 1.00 1.66 H new ATOM 0 HB2 ALA A 533 10.351 -9.470 -2.363 1.00 1.66 H new ATOM 0 HB3 ALA A 533 11.946 -9.172 -3.095 1.00 1.66 H new ATOM 959 N GLY A 534 13.447 -8.219 0.455 1.00 1.85 N ATOM 960 CA GLY A 534 14.826 -8.167 0.881 1.00 2.51 C ATOM 961 C GLY A 534 14.998 -7.478 2.216 1.00 2.55 C ATOM 962 O GLY A 534 14.019 -7.218 2.922 1.00 3.23 O ATOM 0 H GLY A 534 12.766 -8.304 1.210 1.00 1.85 H new ATOM 0 HA2 GLY A 534 15.220 -9.181 0.946 1.00 2.51 H new ATOM 0 HA3 GLY A 534 15.415 -7.644 0.128 1.00 2.51 H new ATOM 966 N GLY A 535 16.243 -7.177 2.558 1.00 2.26 N ATOM 967 CA GLY A 535 16.538 -6.533 3.821 1.00 2.32 C ATOM 968 C GLY A 535 16.679 -5.033 3.678 1.00 1.64 C ATOM 969 O GLY A 535 16.983 -4.334 4.643 1.00 1.87 O ATOM 0 H GLY A 535 17.059 -7.369 1.978 1.00 2.26 H new ATOM 0 HA2 GLY A 535 15.744 -6.755 4.534 1.00 2.32 H new ATOM 0 HA3 GLY A 535 17.460 -6.946 4.231 1.00 2.32 H new ATOM 973 N ALA A 536 16.448 -4.537 2.472 1.00 1.36 N ATOM 974 CA ALA A 536 16.520 -3.107 2.201 1.00 1.04 C ATOM 975 C ALA A 536 15.183 -2.440 2.515 1.00 0.86 C ATOM 976 O ALA A 536 14.675 -1.636 1.735 1.00 0.93 O ATOM 977 CB ALA A 536 16.912 -2.864 0.750 1.00 1.69 C ATOM 0 H ALA A 536 16.208 -5.106 1.660 1.00 1.36 H new ATOM 0 HA ALA A 536 17.283 -2.667 2.843 1.00 1.04 H new ATOM 0 HB1 ALA A 536 16.962 -1.792 0.561 1.00 1.69 H new ATOM 0 HB2 ALA A 536 17.886 -3.312 0.556 1.00 1.69 H new ATOM 0 HB3 ALA A 536 16.168 -3.314 0.092 1.00 1.69 H new ATOM 983 N GLU A 537 14.629 -2.781 3.670 1.00 0.77 N ATOM 984 CA GLU A 537 13.312 -2.303 4.067 1.00 0.79 C ATOM 985 C GLU A 537 13.350 -0.814 4.393 1.00 0.66 C ATOM 986 O GLU A 537 12.564 -0.030 3.866 1.00 0.68 O ATOM 987 CB GLU A 537 12.811 -3.088 5.280 1.00 1.03 C ATOM 988 CG GLU A 537 12.800 -4.593 5.073 1.00 1.51 C ATOM 989 CD GLU A 537 12.298 -5.342 6.289 1.00 2.08 C ATOM 990 OE1 GLU A 537 11.098 -5.687 6.330 1.00 2.73 O ATOM 991 OE2 GLU A 537 13.099 -5.593 7.214 1.00 2.51 O ATOM 0 H GLU A 537 15.076 -3.392 4.354 1.00 0.77 H new ATOM 0 HA GLU A 537 12.628 -2.456 3.232 1.00 0.79 H new ATOM 0 HB2 GLU A 537 13.440 -2.853 6.139 1.00 1.03 H new ATOM 0 HB3 GLU A 537 11.802 -2.757 5.524 1.00 1.03 H new ATOM 0 HG2 GLU A 537 12.171 -4.834 4.216 1.00 1.51 H new ATOM 0 HG3 GLU A 537 13.808 -4.931 4.833 1.00 1.51 H new ATOM 998 N GLU A 538 14.279 -0.427 5.249 1.00 0.73 N ATOM 999 CA GLU A 538 14.384 0.957 5.683 1.00 0.90 C ATOM 1000 C GLU A 538 15.089 1.803 4.626 1.00 0.90 C ATOM 1001 O GLU A 538 14.832 3.000 4.497 1.00 1.09 O ATOM 1002 CB GLU A 538 15.137 1.031 7.012 1.00 1.12 C ATOM 1003 CG GLU A 538 15.136 2.412 7.642 1.00 2.06 C ATOM 1004 CD GLU A 538 15.889 2.447 8.951 1.00 2.73 C ATOM 1005 OE1 GLU A 538 15.298 2.086 9.992 1.00 3.26 O ATOM 1006 OE2 GLU A 538 17.076 2.836 8.950 1.00 3.34 O ATOM 0 H GLU A 538 14.973 -1.052 5.659 1.00 0.73 H new ATOM 0 HA GLU A 538 13.379 1.355 5.822 1.00 0.90 H new ATOM 0 HB2 GLU A 538 14.692 0.323 7.711 1.00 1.12 H new ATOM 0 HB3 GLU A 538 16.168 0.716 6.852 1.00 1.12 H new ATOM 0 HG2 GLU A 538 15.583 3.125 6.949 1.00 2.06 H new ATOM 0 HG3 GLU A 538 14.107 2.732 7.809 1.00 2.06 H new ATOM 1013 N ASN A 539 15.960 1.165 3.856 1.00 0.84 N ATOM 1014 CA ASN A 539 16.753 1.863 2.850 1.00 1.00 C ATOM 1015 C ASN A 539 15.914 2.191 1.614 1.00 0.82 C ATOM 1016 O ASN A 539 16.274 3.064 0.822 1.00 0.94 O ATOM 1017 CB ASN A 539 17.965 1.016 2.454 1.00 1.28 C ATOM 1018 CG ASN A 539 18.950 1.777 1.586 1.00 1.84 C ATOM 1019 OD1 ASN A 539 18.864 1.764 0.359 1.00 2.35 O ATOM 1020 ND2 ASN A 539 19.894 2.450 2.224 1.00 2.52 N ATOM 0 H ASN A 539 16.137 0.162 3.908 1.00 0.84 H new ATOM 0 HA ASN A 539 17.098 2.802 3.283 1.00 1.00 H new ATOM 0 HB2 ASN A 539 18.472 0.670 3.355 1.00 1.28 H new ATOM 0 HB3 ASN A 539 17.625 0.129 1.919 1.00 1.28 H new ATOM 0 HD21 ASN A 539 20.585 2.984 1.697 1.00 2.52 H new ATOM 0 HD22 ASN A 539 19.931 2.435 3.243 1.00 2.52 H new ATOM 1027 N ALA A 540 14.798 1.488 1.462 1.00 0.59 N ATOM 1028 CA ALA A 540 13.893 1.699 0.337 1.00 0.51 C ATOM 1029 C ALA A 540 13.398 3.146 0.281 1.00 0.47 C ATOM 1030 O ALA A 540 13.176 3.777 1.318 1.00 0.51 O ATOM 1031 CB ALA A 540 12.715 0.742 0.432 1.00 0.47 C ATOM 0 H ALA A 540 14.496 0.760 2.110 1.00 0.59 H new ATOM 0 HA ALA A 540 14.444 1.501 -0.582 1.00 0.51 H new ATOM 0 HB1 ALA A 540 12.044 0.906 -0.411 1.00 0.47 H new ATOM 0 HB2 ALA A 540 13.078 -0.285 0.412 1.00 0.47 H new ATOM 0 HB3 ALA A 540 12.177 0.919 1.363 1.00 0.47 H new ATOM 1037 N PRO A 541 13.238 3.686 -0.937 1.00 0.46 N ATOM 1038 CA PRO A 541 12.783 5.065 -1.153 1.00 0.45 C ATOM 1039 C PRO A 541 11.278 5.217 -0.963 1.00 0.45 C ATOM 1040 O PRO A 541 10.558 4.227 -0.829 1.00 0.60 O ATOM 1041 CB PRO A 541 13.160 5.318 -2.613 1.00 0.49 C ATOM 1042 CG PRO A 541 13.032 3.982 -3.253 1.00 0.53 C ATOM 1043 CD PRO A 541 13.490 2.989 -2.218 1.00 0.52 C ATOM 0 HA PRO A 541 13.229 5.764 -0.445 1.00 0.45 H new ATOM 0 HB2 PRO A 541 12.496 6.048 -3.076 1.00 0.49 H new ATOM 0 HB3 PRO A 541 14.174 5.708 -2.702 1.00 0.49 H new ATOM 0 HG2 PRO A 541 12.002 3.788 -3.553 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.643 3.919 -4.153 1.00 0.53 H new ATOM 0 HD2 PRO A 541 12.932 2.055 -2.283 1.00 0.52 H new ATOM 0 HD3 PRO A 541 14.544 2.740 -2.339 1.00 0.52 H new ATOM 1051 N LEU A 542 10.804 6.455 -0.952 1.00 0.37 N ATOM 1052 CA LEU A 542 9.384 6.716 -0.797 1.00 0.38 C ATOM 1053 C LEU A 542 8.896 7.685 -1.870 1.00 0.35 C ATOM 1054 O LEU A 542 9.476 8.753 -2.069 1.00 0.43 O ATOM 1055 CB LEU A 542 9.085 7.289 0.591 1.00 0.49 C ATOM 1056 CG LEU A 542 7.902 6.646 1.323 1.00 0.58 C ATOM 1057 CD1 LEU A 542 7.634 7.362 2.637 1.00 0.60 C ATOM 1058 CD2 LEU A 542 6.659 6.646 0.454 1.00 1.40 C ATOM 0 H LEU A 542 11.381 7.290 -1.048 1.00 0.37 H new ATOM 0 HA LEU A 542 8.856 5.769 -0.907 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.976 7.182 1.210 1.00 0.49 H new ATOM 0 HB3 LEU A 542 8.892 8.357 0.491 1.00 0.49 H new ATOM 0 HG LEU A 542 8.163 5.610 1.540 1.00 0.58 H new ATOM 0 HD11 LEU A 542 6.791 6.891 3.142 1.00 0.60 H new ATOM 0 HD12 LEU A 542 8.518 7.300 3.272 1.00 0.60 H new ATOM 0 HD13 LEU A 542 7.401 8.408 2.440 1.00 0.60 H new ATOM 0 HD21 LEU A 542 5.835 6.184 0.998 1.00 1.40 H new ATOM 0 HD22 LEU A 542 6.395 7.672 0.197 1.00 1.40 H new ATOM 0 HD23 LEU A 542 6.853 6.082 -0.458 1.00 1.40 H new ATOM 1070 N HIS A 543 7.834 7.297 -2.553 1.00 0.31 N ATOM 1071 CA HIS A 543 7.206 8.136 -3.563 1.00 0.32 C ATOM 1072 C HIS A 543 6.118 8.977 -2.894 1.00 0.29 C ATOM 1073 O HIS A 543 5.752 8.714 -1.753 1.00 0.33 O ATOM 1074 CB HIS A 543 6.617 7.232 -4.657 1.00 0.43 C ATOM 1075 CG HIS A 543 6.495 7.876 -6.004 1.00 0.62 C ATOM 1076 ND1 HIS A 543 7.207 7.457 -7.106 1.00 0.69 N ATOM 1077 CD2 HIS A 543 5.719 8.891 -6.428 1.00 1.25 C ATOM 1078 CE1 HIS A 543 6.868 8.189 -8.150 1.00 1.06 C ATOM 1079 NE2 HIS A 543 5.966 9.068 -7.765 1.00 1.47 N ATOM 0 H HIS A 543 7.381 6.392 -2.425 1.00 0.31 H new ATOM 0 HA HIS A 543 7.931 8.808 -4.022 1.00 0.32 H new ATOM 0 HB2 HIS A 543 7.241 6.343 -4.750 1.00 0.43 H new ATOM 0 HB3 HIS A 543 5.630 6.896 -4.339 1.00 0.43 H new ATOM 0 HD2 HIS A 543 5.028 9.462 -5.825 1.00 1.25 H new ATOM 0 HE1 HIS A 543 7.263 8.085 -9.150 1.00 1.06 H new ATOM 0 HE2 HIS A 543 5.524 9.766 -8.363 1.00 1.47 H new ATOM 1088 N LYS A 544 5.630 10.006 -3.570 1.00 0.35 N ATOM 1089 CA LYS A 544 4.524 10.793 -3.036 1.00 0.44 C ATOM 1090 C LYS A 544 3.338 10.761 -3.992 1.00 0.43 C ATOM 1091 O LYS A 544 3.494 10.459 -5.175 1.00 0.61 O ATOM 1092 CB LYS A 544 4.956 12.238 -2.766 1.00 0.67 C ATOM 1093 CG LYS A 544 5.300 13.035 -4.012 1.00 1.35 C ATOM 1094 CD LYS A 544 5.702 14.457 -3.659 1.00 1.77 C ATOM 1095 CE LYS A 544 6.016 15.275 -4.899 1.00 2.62 C ATOM 1096 NZ LYS A 544 4.840 15.392 -5.801 1.00 3.40 N ATOM 0 H LYS A 544 5.976 10.315 -4.479 1.00 0.35 H new ATOM 0 HA LYS A 544 4.220 10.349 -2.088 1.00 0.44 H new ATOM 0 HB2 LYS A 544 4.155 12.750 -2.232 1.00 0.67 H new ATOM 0 HB3 LYS A 544 5.823 12.227 -2.106 1.00 0.67 H new ATOM 0 HG2 LYS A 544 6.114 12.546 -4.547 1.00 1.35 H new ATOM 0 HG3 LYS A 544 4.442 13.053 -4.684 1.00 1.35 H new ATOM 0 HD2 LYS A 544 4.897 14.935 -3.102 1.00 1.77 H new ATOM 0 HD3 LYS A 544 6.574 14.437 -3.005 1.00 1.77 H new ATOM 0 HE2 LYS A 544 6.346 16.271 -4.603 1.00 2.62 H new ATOM 0 HE3 LYS A 544 6.842 14.813 -5.439 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 5.014 16.139 -6.503 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 4.686 14.487 -6.289 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 3.996 15.632 -5.242 1.00 3.40 H new ATOM 1110 N LEU A 545 2.155 11.054 -3.477 1.00 0.44 N ATOM 1111 CA LEU A 545 0.955 11.075 -4.296 1.00 0.58 C ATOM 1112 C LEU A 545 0.069 12.249 -3.912 1.00 0.66 C ATOM 1113 O LEU A 545 0.289 12.891 -2.883 1.00 1.04 O ATOM 1114 CB LEU A 545 0.199 9.743 -4.191 1.00 1.01 C ATOM 1115 CG LEU A 545 -0.223 9.304 -2.785 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -1.534 9.955 -2.374 1.00 0.85 C ATOM 1117 CD2 LEU A 545 -0.345 7.794 -2.734 1.00 0.67 C ATOM 0 H LEU A 545 2.000 11.281 -2.495 1.00 0.44 H new ATOM 0 HA LEU A 545 1.249 11.204 -5.338 1.00 0.58 H new ATOM 0 HB2 LEU A 545 -0.695 9.809 -4.810 1.00 1.01 H new ATOM 0 HB3 LEU A 545 0.826 8.961 -4.619 1.00 1.01 H new ATOM 0 HG LEU A 545 0.543 9.627 -2.080 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -1.806 9.624 -1.372 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -1.419 11.039 -2.379 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -2.318 9.670 -3.076 1.00 0.85 H new ATOM 0 HD21 LEU A 545 -0.645 7.487 -1.732 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -1.094 7.465 -3.454 1.00 0.67 H new ATOM 0 HD23 LEU A 545 0.617 7.343 -2.979 1.00 0.67 H new ATOM 1129 N GLY A 546 -0.927 12.523 -4.734 1.00 1.15 N ATOM 1130 CA GLY A 546 -1.813 13.638 -4.481 1.00 1.43 C ATOM 1131 C GLY A 546 -2.437 14.154 -5.756 1.00 2.14 C ATOM 1132 O GLY A 546 -3.513 14.756 -5.737 1.00 2.85 O ATOM 0 H GLY A 546 -1.140 11.991 -5.578 1.00 1.15 H new ATOM 0 HA2 GLY A 546 -2.598 13.330 -3.790 1.00 1.43 H new ATOM 0 HA3 GLY A 546 -1.258 14.441 -3.996 1.00 1.43 H new ATOM 1136 N GLY A 547 -1.760 13.911 -6.866 1.00 2.68 N ATOM 1137 CA GLY A 547 -2.264 14.312 -8.159 1.00 3.84 C ATOM 1138 C GLY A 547 -1.153 14.406 -9.179 1.00 4.60 C ATOM 1139 O GLY A 547 -0.113 13.742 -8.985 1.00 4.86 O ATOM 1140 OXT GLY A 547 -1.312 15.136 -10.179 1.00 5.29 O ATOM 0 H GLY A 547 -0.858 13.436 -6.892 1.00 2.68 H new ATOM 0 HA2 GLY A 547 -3.012 13.595 -8.498 1.00 3.84 H new ATOM 0 HA3 GLY A 547 -2.764 15.277 -8.073 1.00 3.84 H new TER 1144 GLY A 547