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 X(o=0,f=0) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 481 GLN : amide:sc= -3.06! C(o=-3.1!,f=-7.3!) USER MOD Single : A 485 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.3!) USER MOD Single : A 488 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.69) USER MOD Single : A 493 TYR OH : rot 180:sc= -0.357 USER MOD Single : A 496 MET CE :methyl -160:sc= -0.143 (180deg=-0.703) 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 30:sc= -0.108 USER MOD Single : A 510 MET CE :methyl 162:sc= -0.0418 (180deg=-0.367) USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 TYR OH : rot -139:sc= 1.28 USER MOD Single : A 515 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 518 LYS NZ :NH3+ 172:sc=-0.00326 (180deg=-0.0786) 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 180:sc= -0.28 USER MOD Single : A 527 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0019) USER MOD Single : A 530 SER OG : rot 180:sc= 1.01 USER MOD Single : A 532 TYR OH : rot 180:sc= 0 USER MOD Single : A 539 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.1) USER MOD Single : A 543 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4!) USER MOD Single : A 544 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 472 0.312 -11.222 -6.178 1.00 1.75 N ATOM 2 CA ARG A 472 0.402 -11.671 -4.772 1.00 1.43 C ATOM 3 C ARG A 472 -0.826 -11.183 -4.012 1.00 1.73 C ATOM 4 O ARG A 472 -1.422 -10.173 -4.379 1.00 2.33 O ATOM 5 CB ARG A 472 1.690 -11.150 -4.114 1.00 1.05 C ATOM 6 CG ARG A 472 1.658 -9.679 -3.746 1.00 1.63 C ATOM 7 CD ARG A 472 2.859 -9.300 -2.897 1.00 2.44 C ATOM 8 NE ARG A 472 4.120 -9.384 -3.641 1.00 3.40 N ATOM 9 CZ ARG A 472 5.257 -9.876 -3.143 1.00 4.48 C ATOM 10 NH1 ARG A 472 5.287 -10.399 -1.925 1.00 4.87 N ATOM 11 NH2 ARG A 472 6.364 -9.855 -3.867 1.00 5.44 N ATOM 0 HA ARG A 472 0.434 -12.760 -4.745 1.00 1.43 H new ATOM 0 HB2 ARG A 472 1.884 -11.733 -3.213 1.00 1.05 H new ATOM 0 HB3 ARG A 472 2.525 -11.324 -4.792 1.00 1.05 H new ATOM 0 HG2 ARG A 472 1.645 -9.075 -4.653 1.00 1.63 H new ATOM 0 HG3 ARG A 472 0.740 -9.457 -3.202 1.00 1.63 H new ATOM 0 HD2 ARG A 472 2.729 -8.285 -2.522 1.00 2.44 H new ATOM 0 HD3 ARG A 472 2.908 -9.957 -2.029 1.00 2.44 H new ATOM 0 HE ARG A 472 4.129 -9.044 -4.603 1.00 3.40 H new ATOM 0 HH11 ARG A 472 4.437 -10.428 -1.361 1.00 4.87 H new ATOM 0 HH12 ARG A 472 6.160 -10.773 -1.552 1.00 4.87 H new ATOM 0 HH21 ARG A 472 6.350 -9.462 -4.808 1.00 5.44 H new ATOM 0 HH22 ARG A 472 7.231 -10.232 -3.484 1.00 5.44 H new ATOM 27 N ASN A 473 -1.201 -11.894 -2.957 1.00 1.77 N ATOM 28 CA ASN A 473 -2.449 -11.611 -2.254 1.00 2.11 C ATOM 29 C ASN A 473 -2.258 -10.680 -1.062 1.00 1.62 C ATOM 30 O ASN A 473 -3.212 -10.401 -0.340 1.00 2.26 O ATOM 31 CB ASN A 473 -3.114 -12.910 -1.793 1.00 2.96 C ATOM 32 CG ASN A 473 -3.773 -13.661 -2.933 1.00 3.43 C ATOM 33 OD1 ASN A 473 -3.139 -14.474 -3.608 1.00 3.75 O ATOM 34 ND2 ASN A 473 -5.055 -13.404 -3.150 1.00 3.92 N ATOM 0 H ASN A 473 -0.662 -12.668 -2.569 1.00 1.77 H new ATOM 0 HA ASN A 473 -3.095 -11.099 -2.967 1.00 2.11 H new ATOM 0 HB2 ASN A 473 -2.367 -13.550 -1.324 1.00 2.96 H new ATOM 0 HB3 ASN A 473 -3.861 -12.682 -1.033 1.00 2.96 H new ATOM 0 HD21 ASN A 473 -5.552 -13.887 -3.898 1.00 3.92 H new ATOM 0 HD22 ASN A 473 -5.544 -12.724 -2.569 1.00 3.92 H new ATOM 41 N LEU A 474 -1.020 -10.224 -0.848 1.00 1.02 N ATOM 42 CA LEU A 474 -0.709 -9.242 0.204 1.00 0.50 C ATOM 43 C LEU A 474 -1.170 -9.716 1.581 1.00 0.52 C ATOM 44 O LEU A 474 -1.459 -8.912 2.465 1.00 1.38 O ATOM 45 CB LEU A 474 -1.325 -7.871 -0.124 1.00 0.67 C ATOM 46 CG LEU A 474 -0.598 -7.058 -1.200 1.00 0.54 C ATOM 47 CD1 LEU A 474 0.907 -7.101 -1.004 1.00 1.29 C ATOM 48 CD2 LEU A 474 -0.965 -7.550 -2.575 1.00 0.94 C ATOM 0 H LEU A 474 -0.209 -10.520 -1.392 1.00 1.02 H new ATOM 0 HA LEU A 474 0.376 -9.140 0.235 1.00 0.50 H new ATOM 0 HB2 LEU A 474 -2.356 -8.023 -0.444 1.00 0.67 H new ATOM 0 HB3 LEU A 474 -1.359 -7.280 0.791 1.00 0.67 H new ATOM 0 HG LEU A 474 -0.918 -6.020 -1.104 1.00 0.54 H new ATOM 0 HD11 LEU A 474 1.392 -6.514 -1.784 1.00 1.29 H new ATOM 0 HD12 LEU A 474 1.159 -6.686 -0.028 1.00 1.29 H new ATOM 0 HD13 LEU A 474 1.252 -8.134 -1.059 1.00 1.29 H new ATOM 0 HD21 LEU A 474 -0.438 -6.960 -3.325 1.00 0.94 H new ATOM 0 HD22 LEU A 474 -0.682 -8.598 -2.674 1.00 0.94 H new ATOM 0 HD23 LEU A 474 -2.040 -7.449 -2.723 1.00 0.94 H new ATOM 60 N ALA A 475 -1.205 -11.027 1.767 1.00 1.09 N ATOM 61 CA ALA A 475 -1.679 -11.608 3.010 1.00 1.19 C ATOM 62 C ALA A 475 -0.568 -11.635 4.050 1.00 1.15 C ATOM 63 O ALA A 475 -0.827 -11.617 5.253 1.00 1.34 O ATOM 64 CB ALA A 475 -2.221 -13.008 2.763 1.00 1.36 C ATOM 0 H ALA A 475 -0.909 -11.709 1.069 1.00 1.09 H new ATOM 0 HA ALA A 475 -2.487 -10.987 3.397 1.00 1.19 H new ATOM 0 HB1 ALA A 475 -2.573 -13.433 3.703 1.00 1.36 H new ATOM 0 HB2 ALA A 475 -3.048 -12.958 2.055 1.00 1.36 H new ATOM 0 HB3 ALA A 475 -1.430 -13.637 2.354 1.00 1.36 H new ATOM 70 N GLU A 476 0.671 -11.663 3.577 1.00 1.05 N ATOM 71 CA GLU A 476 1.831 -11.694 4.459 1.00 1.13 C ATOM 72 C GLU A 476 2.451 -10.310 4.595 1.00 0.88 C ATOM 73 O GLU A 476 3.660 -10.170 4.788 1.00 0.99 O ATOM 74 CB GLU A 476 2.869 -12.682 3.934 1.00 1.40 C ATOM 75 CG GLU A 476 2.371 -14.113 3.900 1.00 1.65 C ATOM 76 CD GLU A 476 1.998 -14.627 5.274 1.00 1.89 C ATOM 77 OE1 GLU A 476 0.792 -14.671 5.593 1.00 2.45 O ATOM 78 OE2 GLU A 476 2.907 -14.990 6.048 1.00 2.32 O ATOM 0 H GLU A 476 0.899 -11.665 2.583 1.00 1.05 H new ATOM 0 HA GLU A 476 1.497 -12.018 5.445 1.00 1.13 H new ATOM 0 HB2 GLU A 476 3.168 -12.385 2.929 1.00 1.40 H new ATOM 0 HB3 GLU A 476 3.760 -12.629 4.560 1.00 1.40 H new ATOM 0 HG2 GLU A 476 1.504 -14.177 3.243 1.00 1.65 H new ATOM 0 HG3 GLU A 476 3.143 -14.753 3.473 1.00 1.65 H new ATOM 85 N LEU A 477 1.618 -9.288 4.488 1.00 0.62 N ATOM 86 CA LEU A 477 2.079 -7.914 4.623 1.00 0.41 C ATOM 87 C LEU A 477 2.420 -7.581 6.069 1.00 0.48 C ATOM 88 O LEU A 477 1.869 -8.160 7.005 1.00 0.70 O ATOM 89 CB LEU A 477 1.033 -6.934 4.093 1.00 0.33 C ATOM 90 CG LEU A 477 1.062 -6.716 2.582 1.00 0.27 C ATOM 91 CD1 LEU A 477 -0.058 -5.784 2.154 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.410 -6.154 2.158 1.00 0.34 C ATOM 0 H LEU A 477 0.618 -9.383 4.308 1.00 0.62 H new ATOM 0 HA LEU A 477 2.987 -7.816 4.027 1.00 0.41 H new ATOM 0 HB2 LEU A 477 0.044 -7.294 4.374 1.00 0.33 H new ATOM 0 HB3 LEU A 477 1.174 -5.973 4.587 1.00 0.33 H new ATOM 0 HG LEU A 477 0.913 -7.678 2.091 1.00 0.27 H new ATOM 0 HD11 LEU A 477 -0.020 -5.641 1.074 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -1.019 -6.219 2.429 1.00 0.32 H new ATOM 0 HD13 LEU A 477 0.060 -4.821 2.651 1.00 0.32 H new ATOM 0 HD21 LEU A 477 2.418 -6.003 1.079 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.581 -5.201 2.659 1.00 0.34 H new ATOM 0 HD23 LEU A 477 3.199 -6.855 2.432 1.00 0.34 H new ATOM 104 N HIS A 478 3.342 -6.649 6.234 1.00 0.41 N ATOM 105 CA HIS A 478 3.774 -6.207 7.549 1.00 0.48 C ATOM 106 C HIS A 478 3.555 -4.712 7.686 1.00 0.36 C ATOM 107 O HIS A 478 3.573 -3.983 6.693 1.00 0.30 O ATOM 108 CB HIS A 478 5.253 -6.531 7.770 1.00 0.63 C ATOM 109 CG HIS A 478 5.539 -7.979 8.012 1.00 1.07 C ATOM 110 ND1 HIS A 478 5.897 -8.476 9.245 1.00 1.59 N ATOM 111 CD2 HIS A 478 5.535 -9.040 7.170 1.00 1.83 C ATOM 112 CE1 HIS A 478 6.100 -9.776 9.152 1.00 1.99 C ATOM 113 NE2 HIS A 478 5.886 -10.144 7.904 1.00 2.14 N ATOM 0 H HIS A 478 3.812 -6.177 5.461 1.00 0.41 H new ATOM 0 HA HIS A 478 3.185 -6.733 8.300 1.00 0.48 H new ATOM 0 HB2 HIS A 478 5.819 -6.202 6.898 1.00 0.63 H new ATOM 0 HB3 HIS A 478 5.615 -5.954 8.621 1.00 0.63 H new ATOM 0 HD2 HIS A 478 5.299 -9.020 6.116 1.00 1.83 H new ATOM 0 HE1 HIS A 478 6.392 -10.429 9.961 1.00 1.99 H new ATOM 0 HE2 HIS A 478 5.968 -11.095 7.543 1.00 2.14 H new ATOM 122 N ILE A 479 3.353 -4.259 8.911 1.00 0.37 N ATOM 123 CA ILE A 479 3.096 -2.854 9.171 1.00 0.34 C ATOM 124 C ILE A 479 4.391 -2.060 9.096 1.00 0.31 C ATOM 125 O ILE A 479 5.400 -2.449 9.687 1.00 0.35 O ATOM 126 CB ILE A 479 2.467 -2.637 10.561 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.261 -3.561 10.767 1.00 0.54 C ATOM 128 CG2 ILE A 479 2.069 -1.179 10.735 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.175 -3.405 9.727 1.00 0.56 C ATOM 0 H ILE A 479 3.362 -4.847 9.744 1.00 0.37 H new ATOM 0 HA ILE A 479 2.395 -2.510 8.410 1.00 0.34 H new ATOM 0 HB ILE A 479 3.210 -2.886 11.319 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.605 -4.595 10.764 1.00 0.54 H new ATOM 0 HG13 ILE A 479 0.835 -3.370 11.752 1.00 0.54 H new ATOM 0 HG21 ILE A 479 1.626 -1.038 11.721 1.00 0.51 H new ATOM 0 HG22 ILE A 479 2.952 -0.547 10.640 1.00 0.51 H new ATOM 0 HG23 ILE A 479 1.344 -0.906 9.969 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.640 -4.094 9.946 1.00 0.56 H new ATOM 0 HD12 ILE A 479 -0.200 -2.382 9.744 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.582 -3.626 8.740 1.00 0.56 H new ATOM 141 N GLY A 480 4.360 -0.953 8.371 1.00 0.30 N ATOM 142 CA GLY A 480 5.546 -0.141 8.229 1.00 0.38 C ATOM 143 C GLY A 480 6.535 -0.761 7.265 1.00 0.41 C ATOM 144 O GLY A 480 7.743 -0.567 7.384 1.00 0.63 O ATOM 0 H GLY A 480 3.537 -0.604 7.880 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.267 0.852 7.876 1.00 0.38 H new ATOM 0 HA3 GLY A 480 6.018 -0.013 9.203 1.00 0.38 H new ATOM 148 N GLN A 481 6.017 -1.528 6.318 1.00 0.28 N ATOM 149 CA GLN A 481 6.845 -2.186 5.320 1.00 0.35 C ATOM 150 C GLN A 481 6.676 -1.503 3.966 1.00 0.30 C ATOM 151 O GLN A 481 5.555 -1.190 3.563 1.00 0.30 O ATOM 152 CB GLN A 481 6.459 -3.669 5.216 1.00 0.42 C ATOM 153 CG GLN A 481 7.194 -4.434 4.121 1.00 1.02 C ATOM 154 CD GLN A 481 8.577 -4.926 4.526 1.00 1.43 C ATOM 155 OE1 GLN A 481 9.051 -5.936 4.006 1.00 2.34 O ATOM 156 NE2 GLN A 481 9.225 -4.246 5.459 1.00 1.79 N ATOM 0 H GLN A 481 5.018 -1.711 6.220 1.00 0.28 H new ATOM 0 HA GLN A 481 7.890 -2.113 5.621 1.00 0.35 H new ATOM 0 HB2 GLN A 481 6.655 -4.151 6.174 1.00 0.42 H new ATOM 0 HB3 GLN A 481 5.386 -3.741 5.036 1.00 0.42 H new ATOM 0 HG2 GLN A 481 6.589 -5.290 3.822 1.00 1.02 H new ATOM 0 HG3 GLN A 481 7.291 -3.791 3.246 1.00 1.02 H new ATOM 0 HE21 GLN A 481 8.803 -3.413 5.869 1.00 1.79 H new ATOM 0 HE22 GLN A 481 10.147 -4.555 5.768 1.00 1.79 H new ATOM 165 N PRO A 482 7.784 -1.230 3.262 1.00 0.33 N ATOM 166 CA PRO A 482 7.734 -0.669 1.913 1.00 0.30 C ATOM 167 C PRO A 482 7.134 -1.648 0.904 1.00 0.28 C ATOM 168 O PRO A 482 7.599 -2.782 0.760 1.00 0.33 O ATOM 169 CB PRO A 482 9.201 -0.384 1.580 1.00 0.34 C ATOM 170 CG PRO A 482 9.981 -1.285 2.475 1.00 0.40 C ATOM 171 CD PRO A 482 9.169 -1.426 3.729 1.00 0.43 C ATOM 0 HA PRO A 482 7.100 0.217 1.865 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.415 -0.588 0.531 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.450 0.662 1.758 1.00 0.34 H new ATOM 0 HG2 PRO A 482 10.145 -2.255 2.005 1.00 0.40 H new ATOM 0 HG3 PRO A 482 10.963 -0.865 2.691 1.00 0.40 H new ATOM 0 HD2 PRO A 482 9.304 -2.406 4.187 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.450 -0.683 4.476 1.00 0.43 H new ATOM 179 N VAL A 483 6.090 -1.206 0.222 1.00 0.24 N ATOM 180 CA VAL A 483 5.436 -2.006 -0.804 1.00 0.24 C ATOM 181 C VAL A 483 5.205 -1.151 -2.041 1.00 0.27 C ATOM 182 O VAL A 483 5.153 0.075 -1.948 1.00 0.39 O ATOM 183 CB VAL A 483 4.091 -2.586 -0.314 1.00 0.23 C ATOM 184 CG1 VAL A 483 4.307 -3.528 0.860 1.00 0.29 C ATOM 185 CG2 VAL A 483 3.129 -1.476 0.069 1.00 0.25 C ATOM 0 H VAL A 483 5.672 -0.286 0.362 1.00 0.24 H new ATOM 0 HA VAL A 483 6.090 -2.845 -1.042 1.00 0.24 H new ATOM 0 HB VAL A 483 3.651 -3.152 -1.135 1.00 0.23 H new ATOM 0 HG11 VAL A 483 3.347 -3.925 1.189 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.954 -4.350 0.553 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.776 -2.985 1.681 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.190 -1.911 0.411 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.564 -0.877 0.869 1.00 0.25 H new ATOM 0 HG23 VAL A 483 2.942 -0.842 -0.798 1.00 0.25 H new ATOM 195 N VAL A 484 5.081 -1.786 -3.193 1.00 0.28 N ATOM 196 CA VAL A 484 4.950 -1.056 -4.441 1.00 0.31 C ATOM 197 C VAL A 484 3.518 -1.058 -4.959 1.00 0.28 C ATOM 198 O VAL A 484 2.806 -2.063 -4.907 1.00 0.29 O ATOM 199 CB VAL A 484 5.895 -1.595 -5.537 1.00 0.35 C ATOM 200 CG1 VAL A 484 7.343 -1.427 -5.113 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.594 -3.048 -5.860 1.00 0.31 C ATOM 0 H VAL A 484 5.068 -2.801 -3.290 1.00 0.28 H new ATOM 0 HA VAL A 484 5.237 -0.030 -4.212 1.00 0.31 H new ATOM 0 HB VAL A 484 5.727 -1.014 -6.444 1.00 0.35 H new ATOM 0 HG11 VAL A 484 7.998 -1.811 -5.895 1.00 0.42 H new ATOM 0 HG12 VAL A 484 7.554 -0.370 -4.950 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.518 -1.979 -4.190 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.276 -3.397 -6.635 1.00 0.31 H new ATOM 0 HG22 VAL A 484 5.722 -3.654 -4.963 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.567 -3.137 -6.214 1.00 0.31 H new ATOM 211 N HIS A 485 3.114 0.098 -5.441 1.00 0.34 N ATOM 212 CA HIS A 485 1.816 0.294 -6.058 1.00 0.29 C ATOM 213 C HIS A 485 2.034 0.537 -7.539 1.00 0.24 C ATOM 214 O HIS A 485 2.742 1.463 -7.906 1.00 0.29 O ATOM 215 CB HIS A 485 1.133 1.516 -5.431 1.00 0.36 C ATOM 216 CG HIS A 485 -0.347 1.611 -5.668 1.00 0.52 C ATOM 217 ND1 HIS A 485 -1.094 2.699 -5.283 1.00 1.09 N ATOM 218 CD2 HIS A 485 -1.218 0.754 -6.252 1.00 0.41 C ATOM 219 CE1 HIS A 485 -2.357 2.506 -5.614 1.00 1.19 C ATOM 220 NE2 HIS A 485 -2.461 1.334 -6.208 1.00 0.73 N ATOM 0 H HIS A 485 3.686 0.942 -5.416 1.00 0.34 H new ATOM 0 HA HIS A 485 1.184 -0.581 -5.906 1.00 0.29 H new ATOM 0 HB2 HIS A 485 1.313 1.501 -4.356 1.00 0.36 H new ATOM 0 HB3 HIS A 485 1.606 2.417 -5.821 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -0.978 -0.210 -6.675 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -3.169 3.193 -5.429 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -3.321 0.926 -6.574 1.00 0.73 H new ATOM 229 N LEU A 486 1.418 -0.286 -8.377 1.00 0.23 N ATOM 230 CA LEU A 486 1.611 -0.217 -9.831 1.00 0.30 C ATOM 231 C LEU A 486 1.369 1.192 -10.390 1.00 0.38 C ATOM 232 O LEU A 486 1.834 1.524 -11.475 1.00 0.52 O ATOM 233 CB LEU A 486 0.732 -1.276 -10.542 1.00 0.32 C ATOM 234 CG LEU A 486 -0.792 -1.024 -10.657 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.392 -0.504 -9.361 1.00 0.37 C ATOM 236 CD2 LEU A 486 -1.114 -0.091 -11.816 1.00 0.48 C ATOM 0 H LEU A 486 0.774 -1.018 -8.077 1.00 0.23 H new ATOM 0 HA LEU A 486 2.657 -0.446 -10.035 1.00 0.30 H new ATOM 0 HB2 LEU A 486 1.122 -1.405 -11.551 1.00 0.32 H new ATOM 0 HB3 LEU A 486 0.872 -2.224 -10.022 1.00 0.32 H new ATOM 0 HG LEU A 486 -1.253 -1.991 -10.859 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -2.462 -0.343 -9.494 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -1.230 -1.233 -8.567 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -0.915 0.438 -9.091 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -2.191 0.065 -11.869 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -0.616 0.866 -11.662 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -0.766 -0.535 -12.748 1.00 0.48 H new ATOM 248 N GLU A 487 0.661 2.016 -9.627 1.00 0.38 N ATOM 249 CA GLU A 487 0.349 3.373 -10.039 1.00 0.54 C ATOM 250 C GLU A 487 1.484 4.343 -9.712 1.00 0.55 C ATOM 251 O GLU A 487 1.990 5.036 -10.594 1.00 0.69 O ATOM 252 CB GLU A 487 -0.923 3.834 -9.340 1.00 0.64 C ATOM 253 CG GLU A 487 -2.165 3.068 -9.752 1.00 0.76 C ATOM 254 CD GLU A 487 -3.298 3.259 -8.773 1.00 1.47 C ATOM 255 OE1 GLU A 487 -3.522 4.401 -8.328 1.00 2.37 O ATOM 256 OE2 GLU A 487 -3.964 2.261 -8.431 1.00 1.85 O ATOM 0 H GLU A 487 0.290 1.762 -8.711 1.00 0.38 H new ATOM 0 HA GLU A 487 0.211 3.370 -11.120 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -0.789 3.736 -8.263 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -1.076 4.893 -9.548 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -2.482 3.397 -10.742 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -1.928 2.007 -9.829 1.00 0.76 H new ATOM 263 N HIS A 488 1.895 4.390 -8.447 1.00 0.44 N ATOM 264 CA HIS A 488 2.841 5.424 -8.014 1.00 0.48 C ATOM 265 C HIS A 488 4.166 4.850 -7.521 1.00 0.42 C ATOM 266 O HIS A 488 5.155 5.576 -7.406 1.00 0.52 O ATOM 267 CB HIS A 488 2.216 6.325 -6.948 1.00 0.53 C ATOM 268 CG HIS A 488 1.367 7.419 -7.526 1.00 0.71 C ATOM 269 ND1 HIS A 488 1.790 8.728 -7.615 1.00 1.44 N ATOM 270 CD2 HIS A 488 0.121 7.394 -8.057 1.00 1.14 C ATOM 271 CE1 HIS A 488 0.842 9.459 -8.174 1.00 1.39 C ATOM 272 NE2 HIS A 488 -0.178 8.673 -8.450 1.00 1.12 N ATOM 0 H HIS A 488 1.599 3.743 -7.717 1.00 0.44 H new ATOM 0 HA HIS A 488 3.066 6.023 -8.896 1.00 0.48 H new ATOM 0 HB2 HIS A 488 1.608 5.717 -6.278 1.00 0.53 H new ATOM 0 HB3 HIS A 488 3.009 6.768 -6.345 1.00 0.53 H new ATOM 0 HD2 HIS A 488 -0.518 6.528 -8.153 1.00 1.14 H new ATOM 0 HE1 HIS A 488 0.895 10.520 -8.371 1.00 1.39 H new ATOM 0 HE2 HIS A 488 -1.051 8.969 -8.887 1.00 1.12 H new ATOM 281 N GLY A 489 4.192 3.565 -7.218 1.00 0.37 N ATOM 282 CA GLY A 489 5.446 2.924 -6.888 1.00 0.39 C ATOM 283 C GLY A 489 5.571 2.589 -5.422 1.00 0.29 C ATOM 284 O GLY A 489 4.573 2.338 -4.749 1.00 0.25 O ATOM 0 H GLY A 489 3.374 2.956 -7.194 1.00 0.37 H new ATOM 0 HA2 GLY A 489 5.545 2.010 -7.473 1.00 0.39 H new ATOM 0 HA3 GLY A 489 6.269 3.578 -7.177 1.00 0.39 H new ATOM 288 N VAL A 490 6.801 2.584 -4.942 1.00 0.30 N ATOM 289 CA VAL A 490 7.112 2.225 -3.565 1.00 0.27 C ATOM 290 C VAL A 490 6.523 3.216 -2.552 1.00 0.21 C ATOM 291 O VAL A 490 6.627 4.438 -2.709 1.00 0.23 O ATOM 292 CB VAL A 490 8.644 2.108 -3.382 1.00 0.34 C ATOM 293 CG1 VAL A 490 9.342 3.354 -3.893 1.00 0.94 C ATOM 294 CG2 VAL A 490 9.019 1.851 -1.930 1.00 1.06 C ATOM 0 H VAL A 490 7.620 2.830 -5.498 1.00 0.30 H new ATOM 0 HA VAL A 490 6.647 1.259 -3.367 1.00 0.27 H new ATOM 0 HB VAL A 490 8.977 1.252 -3.969 1.00 0.34 H new ATOM 0 HG11 VAL A 490 10.418 3.251 -3.755 1.00 0.94 H new ATOM 0 HG12 VAL A 490 9.123 3.485 -4.953 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.987 4.223 -3.339 1.00 0.94 H new ATOM 0 HG21 VAL A 490 10.103 1.775 -1.842 1.00 1.06 H new ATOM 0 HG22 VAL A 490 8.662 2.674 -1.311 1.00 1.06 H new ATOM 0 HG23 VAL A 490 8.562 0.920 -1.595 1.00 1.06 H new ATOM 304 N GLY A 491 5.890 2.661 -1.528 1.00 0.18 N ATOM 305 CA GLY A 491 5.318 3.452 -0.455 1.00 0.18 C ATOM 306 C GLY A 491 5.411 2.727 0.875 1.00 0.16 C ATOM 307 O GLY A 491 5.997 1.646 0.952 1.00 0.16 O ATOM 0 H GLY A 491 5.760 1.655 -1.420 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.838 4.408 -0.388 1.00 0.18 H new ATOM 0 HA3 GLY A 491 4.274 3.672 -0.679 1.00 0.18 H new ATOM 311 N ARG A 492 4.835 3.301 1.923 1.00 0.17 N ATOM 312 CA ARG A 492 4.884 2.689 3.248 1.00 0.17 C ATOM 313 C ARG A 492 3.530 2.096 3.617 1.00 0.14 C ATOM 314 O ARG A 492 2.539 2.817 3.716 1.00 0.18 O ATOM 315 CB ARG A 492 5.288 3.724 4.299 1.00 0.24 C ATOM 316 CG ARG A 492 6.553 4.491 3.954 1.00 0.37 C ATOM 317 CD ARG A 492 7.762 3.576 3.850 1.00 0.44 C ATOM 318 NE ARG A 492 8.955 4.299 3.413 1.00 0.98 N ATOM 319 CZ ARG A 492 10.184 3.782 3.414 1.00 1.21 C ATOM 320 NH1 ARG A 492 10.399 2.569 3.909 1.00 1.35 N ATOM 321 NH2 ARG A 492 11.198 4.492 2.942 1.00 1.93 N ATOM 0 H ARG A 492 4.330 4.186 1.884 1.00 0.17 H new ATOM 0 HA ARG A 492 5.627 1.892 3.223 1.00 0.17 H new ATOM 0 HB2 ARG A 492 4.470 4.432 4.430 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.430 3.220 5.255 1.00 0.24 H new ATOM 0 HG2 ARG A 492 6.413 5.016 3.009 1.00 0.37 H new ATOM 0 HG3 ARG A 492 6.736 5.249 4.715 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.952 3.113 4.819 1.00 0.44 H new ATOM 0 HD3 ARG A 492 7.548 2.770 3.148 1.00 0.44 H new ATOM 0 HE ARG A 492 8.840 5.259 3.087 1.00 0.98 H new ATOM 0 HH11 ARG A 492 9.622 2.029 4.290 1.00 1.35 H new ATOM 0 HH12 ARG A 492 11.341 2.177 3.908 1.00 1.35 H new ATOM 0 HH21 ARG A 492 11.037 5.432 2.579 1.00 1.93 H new ATOM 0 HH22 ARG A 492 12.139 4.099 2.942 1.00 1.93 H new ATOM 335 N TYR A 493 3.486 0.786 3.806 1.00 0.15 N ATOM 336 CA TYR A 493 2.247 0.110 4.169 1.00 0.14 C ATOM 337 C TYR A 493 1.883 0.399 5.620 1.00 0.14 C ATOM 338 O TYR A 493 2.728 0.285 6.508 1.00 0.15 O ATOM 339 CB TYR A 493 2.383 -1.399 3.966 1.00 0.15 C ATOM 340 CG TYR A 493 1.108 -2.161 4.235 1.00 0.15 C ATOM 341 CD1 TYR A 493 0.128 -2.269 3.260 1.00 1.14 C ATOM 342 CD2 TYR A 493 0.884 -2.770 5.463 1.00 1.21 C ATOM 343 CE1 TYR A 493 -1.040 -2.961 3.501 1.00 1.15 C ATOM 344 CE2 TYR A 493 -0.282 -3.465 5.711 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.240 -3.557 4.727 1.00 0.19 C ATOM 346 OH TYR A 493 -2.403 -4.248 4.970 1.00 0.23 O ATOM 0 H TYR A 493 4.293 0.169 3.714 1.00 0.15 H new ATOM 0 HA TYR A 493 1.454 0.488 3.523 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.703 -1.592 2.942 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.168 -1.776 4.622 1.00 0.15 H new ATOM 0 HD1 TYR A 493 0.282 -1.804 2.297 1.00 1.14 H new ATOM 0 HD2 TYR A 493 1.635 -2.698 6.236 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -1.795 -3.036 2.732 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -0.442 -3.934 6.671 1.00 1.21 H new ATOM 0 HH TYR A 493 -2.386 -4.607 5.882 1.00 0.23 H new ATOM 356 N ALA A 494 0.630 0.759 5.861 1.00 0.18 N ATOM 357 CA ALA A 494 0.180 1.046 7.213 1.00 0.21 C ATOM 358 C ALA A 494 -1.182 0.418 7.491 1.00 0.21 C ATOM 359 O ALA A 494 -2.220 1.014 7.204 1.00 0.22 O ATOM 360 CB ALA A 494 0.105 2.550 7.417 1.00 0.25 C ATOM 0 H ALA A 494 -0.087 0.858 5.143 1.00 0.18 H new ATOM 0 HA ALA A 494 0.898 0.614 7.910 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.233 2.763 8.431 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.091 2.988 7.263 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.598 2.979 6.703 1.00 0.25 H new ATOM 366 N GLY A 495 -1.163 -0.760 8.102 1.00 0.22 N ATOM 367 CA GLY A 495 -2.388 -1.436 8.498 1.00 0.23 C ATOM 368 C GLY A 495 -3.420 -1.554 7.390 1.00 0.21 C ATOM 369 O GLY A 495 -3.090 -1.614 6.205 1.00 0.21 O ATOM 0 H GLY A 495 -0.309 -1.267 8.334 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.139 -2.435 8.855 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -2.831 -0.899 9.336 1.00 0.23 H new ATOM 373 N MET A 496 -4.674 -1.586 7.795 1.00 0.22 N ATOM 374 CA MET A 496 -5.794 -1.678 6.871 1.00 0.21 C ATOM 375 C MET A 496 -6.911 -0.753 7.308 1.00 0.22 C ATOM 376 O MET A 496 -7.065 -0.463 8.498 1.00 0.27 O ATOM 377 CB MET A 496 -6.325 -3.111 6.773 1.00 0.23 C ATOM 378 CG MET A 496 -5.664 -3.939 5.686 1.00 0.22 C ATOM 379 SD MET A 496 -6.280 -5.636 5.629 1.00 0.33 S ATOM 380 CE MET A 496 -5.778 -6.243 7.238 1.00 1.68 C ATOM 0 H MET A 496 -4.949 -1.549 8.777 1.00 0.22 H new ATOM 0 HA MET A 496 -5.434 -1.378 5.887 1.00 0.21 H new ATOM 0 HB2 MET A 496 -6.181 -3.608 7.733 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.399 -3.078 6.589 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.832 -3.463 4.720 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.587 -3.953 5.851 1.00 0.22 H new ATOM 0 HE1 MET A 496 -5.759 -7.333 7.226 1.00 1.68 H new ATOM 0 HE2 MET A 496 -4.783 -5.865 7.475 1.00 1.68 H new ATOM 0 HE3 MET A 496 -6.486 -5.901 7.993 1.00 1.68 H new ATOM 390 N THR A 497 -7.676 -0.287 6.345 1.00 0.20 N ATOM 391 CA THR A 497 -8.768 0.628 6.609 1.00 0.22 C ATOM 392 C THR A 497 -10.028 0.174 5.879 1.00 0.22 C ATOM 393 O THR A 497 -9.984 -0.185 4.704 1.00 0.20 O ATOM 394 CB THR A 497 -8.391 2.070 6.198 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.504 2.955 6.375 1.00 0.31 O ATOM 396 CG2 THR A 497 -7.918 2.122 4.754 1.00 0.24 C ATOM 0 H THR A 497 -7.561 -0.529 5.361 1.00 0.20 H new ATOM 0 HA THR A 497 -8.966 0.624 7.681 1.00 0.22 H new ATOM 0 HB THR A 497 -7.574 2.393 6.843 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.245 3.863 6.111 1.00 0.31 H new ATOM 0 HG21 THR A 497 -7.660 3.148 4.492 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.041 1.486 4.635 1.00 0.24 H new ATOM 0 HG23 THR A 497 -8.714 1.770 4.098 1.00 0.24 H new ATOM 404 N THR A 498 -11.147 0.167 6.572 1.00 0.28 N ATOM 405 CA THR A 498 -12.396 -0.232 5.960 1.00 0.29 C ATOM 406 C THR A 498 -13.178 1.001 5.533 1.00 0.29 C ATOM 407 O THR A 498 -13.465 1.880 6.348 1.00 0.36 O ATOM 408 CB THR A 498 -13.244 -1.072 6.925 1.00 0.36 C ATOM 409 OG1 THR A 498 -12.403 -1.608 7.958 1.00 0.84 O ATOM 410 CG2 THR A 498 -13.927 -2.212 6.190 1.00 0.67 C ATOM 0 H THR A 498 -11.217 0.432 7.555 1.00 0.28 H new ATOM 0 HA THR A 498 -12.166 -0.842 5.087 1.00 0.29 H new ATOM 0 HB THR A 498 -14.009 -0.431 7.362 1.00 0.36 H new ATOM 0 HG1 THR A 498 -12.944 -2.143 8.576 1.00 0.84 H new ATOM 0 HG21 THR A 498 -14.522 -2.794 6.894 1.00 0.67 H new ATOM 0 HG22 THR A 498 -14.576 -1.807 5.413 1.00 0.67 H new ATOM 0 HG23 THR A 498 -13.173 -2.854 5.734 1.00 0.67 H new ATOM 418 N LEU A 499 -13.515 1.072 4.258 1.00 0.27 N ATOM 419 CA LEU A 499 -14.222 2.225 3.729 1.00 0.31 C ATOM 420 C LEU A 499 -15.640 1.836 3.356 1.00 0.34 C ATOM 421 O LEU A 499 -15.858 1.064 2.420 1.00 0.39 O ATOM 422 CB LEU A 499 -13.503 2.796 2.499 1.00 0.32 C ATOM 423 CG LEU A 499 -12.042 3.207 2.709 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.460 3.757 1.417 1.00 0.34 C ATOM 425 CD2 LEU A 499 -11.924 4.233 3.826 1.00 0.39 C ATOM 0 H LEU A 499 -13.311 0.347 3.570 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.245 2.993 4.502 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.540 2.053 1.703 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.058 3.666 2.149 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.474 2.323 3.000 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.422 4.045 1.580 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.507 2.992 0.642 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -12.034 4.629 1.102 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -10.878 4.510 3.957 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -12.504 5.119 3.569 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -12.305 3.806 4.754 1.00 0.39 H new ATOM 437 N GLU A 500 -16.602 2.345 4.103 1.00 0.54 N ATOM 438 CA GLU A 500 -17.993 2.078 3.812 1.00 0.62 C ATOM 439 C GLU A 500 -18.625 3.278 3.129 1.00 0.79 C ATOM 440 O GLU A 500 -19.032 4.239 3.779 1.00 0.99 O ATOM 441 CB GLU A 500 -18.753 1.708 5.085 1.00 0.80 C ATOM 442 CG GLU A 500 -18.257 0.422 5.718 1.00 1.25 C ATOM 443 CD GLU A 500 -19.082 -0.002 6.910 1.00 1.63 C ATOM 444 OE1 GLU A 500 -20.086 -0.714 6.713 1.00 2.04 O ATOM 445 OE2 GLU A 500 -18.729 0.367 8.051 1.00 2.21 O ATOM 0 H GLU A 500 -16.444 2.944 4.913 1.00 0.54 H new ATOM 0 HA GLU A 500 -18.049 1.227 3.133 1.00 0.62 H new ATOM 0 HB2 GLU A 500 -18.661 2.520 5.806 1.00 0.80 H new ATOM 0 HB3 GLU A 500 -19.813 1.607 4.852 1.00 0.80 H new ATOM 0 HG2 GLU A 500 -18.270 -0.373 4.972 1.00 1.25 H new ATOM 0 HG3 GLU A 500 -17.220 0.552 6.028 1.00 1.25 H new ATOM 452 N ALA A 501 -18.694 3.210 1.812 1.00 0.93 N ATOM 453 CA ALA A 501 -19.237 4.289 1.009 1.00 1.17 C ATOM 454 C ALA A 501 -20.723 4.074 0.763 1.00 1.28 C ATOM 455 O ALA A 501 -21.279 3.036 1.132 1.00 1.32 O ATOM 456 CB ALA A 501 -18.490 4.357 -0.309 1.00 1.29 C ATOM 0 H ALA A 501 -18.376 2.407 1.270 1.00 0.93 H new ATOM 0 HA ALA A 501 -19.114 5.231 1.544 1.00 1.17 H new ATOM 0 HB1 ALA A 501 -18.895 5.167 -0.916 1.00 1.29 H new ATOM 0 HB2 ALA A 501 -17.432 4.540 -0.119 1.00 1.29 H new ATOM 0 HB3 ALA A 501 -18.605 3.413 -0.841 1.00 1.29 H new ATOM 462 N GLY A 502 -21.361 5.055 0.142 1.00 1.50 N ATOM 463 CA GLY A 502 -22.765 4.936 -0.191 1.00 1.65 C ATOM 464 C GLY A 502 -22.977 4.098 -1.432 1.00 1.94 C ATOM 465 O GLY A 502 -23.444 4.596 -2.458 1.00 2.51 O ATOM 0 H GLY A 502 -20.929 5.935 -0.138 1.00 1.50 H new ATOM 0 HA2 GLY A 502 -23.301 4.488 0.646 1.00 1.65 H new ATOM 0 HA3 GLY A 502 -23.188 5.929 -0.346 1.00 1.65 H new ATOM 469 N GLY A 503 -22.614 2.828 -1.338 1.00 1.76 N ATOM 470 CA GLY A 503 -22.727 1.931 -2.465 1.00 2.10 C ATOM 471 C GLY A 503 -21.607 0.913 -2.483 1.00 1.94 C ATOM 472 O GLY A 503 -21.852 -0.291 -2.575 1.00 2.03 O ATOM 0 H GLY A 503 -22.239 2.401 -0.491 1.00 1.76 H new ATOM 0 HA2 GLY A 503 -23.687 1.416 -2.426 1.00 2.10 H new ATOM 0 HA3 GLY A 503 -22.712 2.506 -3.391 1.00 2.10 H new ATOM 476 N ILE A 504 -20.374 1.393 -2.390 1.00 1.77 N ATOM 477 CA ILE A 504 -19.215 0.508 -2.392 1.00 1.65 C ATOM 478 C ILE A 504 -18.609 0.418 -0.997 1.00 1.24 C ATOM 479 O ILE A 504 -17.981 1.361 -0.515 1.00 1.16 O ATOM 480 CB ILE A 504 -18.131 0.991 -3.381 1.00 1.91 C ATOM 481 CG1 ILE A 504 -18.728 1.209 -4.776 1.00 2.34 C ATOM 482 CG2 ILE A 504 -16.985 -0.011 -3.445 1.00 1.84 C ATOM 483 CD1 ILE A 504 -19.325 -0.040 -5.388 1.00 2.42 C ATOM 0 H ILE A 504 -20.150 2.385 -2.313 1.00 1.77 H new ATOM 0 HA ILE A 504 -19.563 -0.475 -2.708 1.00 1.65 H new ATOM 0 HB ILE A 504 -17.741 1.944 -3.022 1.00 1.91 H new ATOM 0 HG12 ILE A 504 -19.500 1.977 -4.715 1.00 2.34 H new ATOM 0 HG13 ILE A 504 -17.951 1.591 -5.438 1.00 2.34 H new ATOM 0 HG21 ILE A 504 -16.230 0.344 -4.146 1.00 1.84 H new ATOM 0 HG22 ILE A 504 -16.540 -0.118 -2.456 1.00 1.84 H new ATOM 0 HG23 ILE A 504 -17.364 -0.977 -3.779 1.00 1.84 H new ATOM 0 HD11 ILE A 504 -19.727 0.194 -6.374 1.00 2.42 H new ATOM 0 HD12 ILE A 504 -18.553 -0.803 -5.483 1.00 2.42 H new ATOM 0 HD13 ILE A 504 -20.126 -0.411 -4.749 1.00 2.42 H new ATOM 495 N THR A 505 -18.811 -0.713 -0.350 1.00 1.06 N ATOM 496 CA THR A 505 -18.270 -0.944 0.976 1.00 0.72 C ATOM 497 C THR A 505 -17.385 -2.186 0.967 1.00 0.65 C ATOM 498 O THR A 505 -17.675 -3.142 0.247 1.00 0.91 O ATOM 499 CB THR A 505 -19.398 -1.125 2.008 1.00 0.78 C ATOM 500 OG1 THR A 505 -20.173 -2.289 1.690 1.00 1.05 O ATOM 501 CG2 THR A 505 -20.317 0.087 2.042 1.00 0.91 C ATOM 0 H THR A 505 -19.351 -1.493 -0.725 1.00 1.06 H new ATOM 0 HA THR A 505 -17.678 -0.073 1.257 1.00 0.72 H new ATOM 0 HB THR A 505 -18.934 -1.241 2.988 1.00 0.78 H new ATOM 0 HG1 THR A 505 -20.887 -2.398 2.352 1.00 1.05 H new ATOM 0 HG21 THR A 505 -21.103 -0.073 2.781 1.00 0.91 H new ATOM 0 HG22 THR A 505 -19.741 0.973 2.310 1.00 0.91 H new ATOM 0 HG23 THR A 505 -20.767 0.230 1.059 1.00 0.91 H new ATOM 509 N GLY A 506 -16.315 -2.186 1.752 1.00 0.48 N ATOM 510 CA GLY A 506 -15.465 -3.356 1.804 1.00 0.58 C ATOM 511 C GLY A 506 -14.124 -3.084 2.441 1.00 0.45 C ATOM 512 O GLY A 506 -13.919 -2.032 3.051 1.00 0.43 O ATOM 0 H GLY A 506 -16.025 -1.408 2.345 1.00 0.48 H new ATOM 0 HA2 GLY A 506 -15.973 -4.143 2.362 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -15.311 -3.731 0.792 1.00 0.58 H new ATOM 516 N GLU A 507 -13.213 -4.034 2.295 1.00 0.41 N ATOM 517 CA GLU A 507 -11.891 -3.937 2.891 1.00 0.34 C ATOM 518 C GLU A 507 -10.924 -3.206 1.975 1.00 0.27 C ATOM 519 O GLU A 507 -10.916 -3.418 0.759 1.00 0.30 O ATOM 520 CB GLU A 507 -11.331 -5.324 3.179 1.00 0.42 C ATOM 521 CG GLU A 507 -12.084 -6.096 4.246 1.00 0.56 C ATOM 522 CD GLU A 507 -11.405 -7.408 4.578 1.00 0.78 C ATOM 523 OE1 GLU A 507 -10.325 -7.378 5.205 1.00 1.27 O ATOM 524 OE2 GLU A 507 -11.942 -8.475 4.213 1.00 1.63 O ATOM 0 H GLU A 507 -13.369 -4.890 1.762 1.00 0.41 H new ATOM 0 HA GLU A 507 -11.998 -3.377 3.820 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -11.337 -5.904 2.256 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -10.290 -5.225 3.486 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -12.161 -5.488 5.148 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -13.101 -6.290 3.905 1.00 0.56 H new ATOM 531 N TYR A 508 -10.108 -2.350 2.567 1.00 0.21 N ATOM 532 CA TYR A 508 -9.084 -1.629 1.833 1.00 0.17 C ATOM 533 C TYR A 508 -7.795 -1.610 2.634 1.00 0.15 C ATOM 534 O TYR A 508 -7.815 -1.615 3.866 1.00 0.21 O ATOM 535 CB TYR A 508 -9.538 -0.194 1.542 1.00 0.19 C ATOM 536 CG TYR A 508 -10.788 -0.119 0.701 1.00 0.26 C ATOM 537 CD1 TYR A 508 -10.713 -0.005 -0.678 1.00 1.05 C ATOM 538 CD2 TYR A 508 -12.042 -0.176 1.288 1.00 1.38 C ATOM 539 CE1 TYR A 508 -11.856 0.051 -1.448 1.00 1.02 C ATOM 540 CE2 TYR A 508 -13.189 -0.122 0.525 1.00 1.45 C ATOM 541 CZ TYR A 508 -13.091 -0.010 -0.842 1.00 0.45 C ATOM 542 OH TYR A 508 -14.234 0.053 -1.607 1.00 0.54 O ATOM 0 H TYR A 508 -10.137 -2.137 3.564 1.00 0.21 H new ATOM 0 HA TYR A 508 -8.913 -2.137 0.884 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.713 0.322 2.486 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.734 0.337 1.032 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -9.746 0.041 -1.157 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -12.122 -0.264 2.361 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -11.783 0.142 -2.522 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -14.159 -0.167 0.998 1.00 1.45 H new ATOM 0 HH TYR A 508 -14.057 -0.329 -2.492 1.00 0.54 H new ATOM 552 N LEU A 509 -6.674 -1.613 1.945 1.00 0.19 N ATOM 553 CA LEU A 509 -5.398 -1.491 2.610 1.00 0.26 C ATOM 554 C LEU A 509 -5.037 -0.023 2.711 1.00 0.21 C ATOM 555 O LEU A 509 -5.458 0.782 1.874 1.00 0.19 O ATOM 556 CB LEU A 509 -4.308 -2.301 1.880 1.00 0.43 C ATOM 557 CG LEU A 509 -3.878 -1.817 0.491 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.997 -0.578 0.560 1.00 0.98 C ATOM 559 CD2 LEU A 509 -3.155 -2.937 -0.243 1.00 1.06 C ATOM 0 H LEU A 509 -6.622 -1.698 0.930 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.469 -1.907 3.615 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -3.424 -2.325 2.517 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -4.660 -3.328 1.784 1.00 0.43 H new ATOM 0 HG LEU A 509 -4.779 -1.540 -0.056 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -2.718 -0.273 -0.449 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -3.544 0.231 1.045 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.097 -0.803 1.133 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -2.851 -2.588 -1.230 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -2.273 -3.234 0.324 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.822 -3.792 -0.350 1.00 1.06 H new ATOM 571 N MET A 510 -4.279 0.334 3.729 1.00 0.22 N ATOM 572 CA MET A 510 -3.869 1.709 3.893 1.00 0.21 C ATOM 573 C MET A 510 -2.372 1.843 3.680 1.00 0.17 C ATOM 574 O MET A 510 -1.575 1.267 4.411 1.00 0.23 O ATOM 575 CB MET A 510 -4.238 2.223 5.281 1.00 0.27 C ATOM 576 CG MET A 510 -4.725 3.660 5.267 1.00 0.31 C ATOM 577 SD MET A 510 -4.918 4.353 6.920 1.00 0.50 S ATOM 578 CE MET A 510 -3.203 4.522 7.414 1.00 1.53 C ATOM 0 H MET A 510 -3.938 -0.305 4.448 1.00 0.22 H new ATOM 0 HA MET A 510 -4.392 2.308 3.147 1.00 0.21 H new ATOM 0 HB2 MET A 510 -5.014 1.586 5.705 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.369 2.145 5.935 1.00 0.27 H new ATOM 0 HG2 MET A 510 -4.021 4.271 4.702 1.00 0.31 H new ATOM 0 HG3 MET A 510 -5.680 3.709 4.744 1.00 0.31 H new ATOM 0 HE1 MET A 510 -3.133 5.214 8.253 1.00 1.53 H new ATOM 0 HE2 MET A 510 -2.813 3.549 7.713 1.00 1.53 H new ATOM 0 HE3 MET A 510 -2.619 4.906 6.577 1.00 1.53 H new ATOM 588 N LEU A 511 -1.998 2.567 2.650 1.00 0.15 N ATOM 589 CA LEU A 511 -0.607 2.934 2.448 1.00 0.13 C ATOM 590 C LEU A 511 -0.403 4.396 2.799 1.00 0.14 C ATOM 591 O LEU A 511 -1.351 5.183 2.820 1.00 0.20 O ATOM 592 CB LEU A 511 -0.170 2.691 1.001 1.00 0.17 C ATOM 593 CG LEU A 511 0.629 1.419 0.753 1.00 0.21 C ATOM 594 CD1 LEU A 511 0.098 0.701 -0.475 1.00 0.83 C ATOM 595 CD2 LEU A 511 2.098 1.756 0.577 1.00 0.69 C ATOM 0 H LEU A 511 -2.636 2.916 1.935 1.00 0.15 H new ATOM 0 HA LEU A 511 0.003 2.308 3.100 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.060 2.666 0.372 1.00 0.17 H new ATOM 0 HB3 LEU A 511 0.428 3.542 0.674 1.00 0.17 H new ATOM 0 HG LEU A 511 0.523 0.758 1.614 1.00 0.21 H new ATOM 0 HD11 LEU A 511 0.676 -0.207 -0.644 1.00 0.83 H new ATOM 0 HD12 LEU A 511 -0.949 0.441 -0.320 1.00 0.83 H new ATOM 0 HD13 LEU A 511 0.185 1.353 -1.344 1.00 0.83 H new ATOM 0 HD21 LEU A 511 2.663 0.841 0.400 1.00 0.69 H new ATOM 0 HD22 LEU A 511 2.218 2.427 -0.274 1.00 0.69 H new ATOM 0 HD23 LEU A 511 2.470 2.243 1.478 1.00 0.69 H new ATOM 607 N THR A 512 0.830 4.746 3.083 1.00 0.15 N ATOM 608 CA THR A 512 1.195 6.118 3.343 1.00 0.19 C ATOM 609 C THR A 512 2.434 6.484 2.548 1.00 0.16 C ATOM 610 O THR A 512 3.446 5.782 2.589 1.00 0.21 O ATOM 611 CB THR A 512 1.448 6.369 4.841 1.00 0.28 C ATOM 612 OG1 THR A 512 1.909 5.166 5.474 1.00 0.58 O ATOM 613 CG2 THR A 512 0.189 6.872 5.532 1.00 0.55 C ATOM 0 H THR A 512 1.607 4.088 3.140 1.00 0.15 H new ATOM 0 HA THR A 512 0.359 6.745 3.035 1.00 0.19 H new ATOM 0 HB THR A 512 2.216 7.137 4.930 1.00 0.28 H new ATOM 0 HG1 THR A 512 2.068 5.337 6.426 1.00 0.58 H new ATOM 0 HG21 THR A 512 0.397 7.041 6.589 1.00 0.55 H new ATOM 0 HG22 THR A 512 -0.130 7.807 5.071 1.00 0.55 H new ATOM 0 HG23 THR A 512 -0.602 6.129 5.432 1.00 0.55 H new ATOM 621 N TYR A 513 2.337 7.555 1.790 1.00 0.16 N ATOM 622 CA TYR A 513 3.458 8.036 1.013 1.00 0.19 C ATOM 623 C TYR A 513 4.018 9.290 1.660 1.00 0.24 C ATOM 624 O TYR A 513 3.678 9.600 2.804 1.00 0.27 O ATOM 625 CB TYR A 513 3.029 8.310 -0.431 1.00 0.21 C ATOM 626 CG TYR A 513 2.921 7.072 -1.297 1.00 0.19 C ATOM 627 CD1 TYR A 513 2.236 5.948 -0.861 1.00 1.10 C ATOM 628 CD2 TYR A 513 3.498 7.036 -2.562 1.00 1.12 C ATOM 629 CE1 TYR A 513 2.129 4.829 -1.656 1.00 1.08 C ATOM 630 CE2 TYR A 513 3.396 5.915 -3.363 1.00 1.16 C ATOM 631 CZ TYR A 513 2.707 4.816 -2.904 1.00 0.24 C ATOM 632 OH TYR A 513 2.587 3.701 -3.700 1.00 0.28 O ATOM 0 H TYR A 513 1.488 8.112 1.695 1.00 0.16 H new ATOM 0 HA TYR A 513 4.236 7.273 0.990 1.00 0.19 H new ATOM 0 HB2 TYR A 513 2.064 8.817 -0.421 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.744 8.996 -0.886 1.00 0.21 H new ATOM 0 HD1 TYR A 513 1.779 5.950 0.118 1.00 1.10 H new ATOM 0 HD2 TYR A 513 4.035 7.900 -2.925 1.00 1.12 H new ATOM 0 HE1 TYR A 513 1.592 3.962 -1.300 1.00 1.08 H new ATOM 0 HE2 TYR A 513 3.853 5.901 -4.341 1.00 1.16 H new ATOM 0 HH TYR A 513 3.440 3.527 -4.150 1.00 0.28 H new ATOM 642 N ALA A 514 4.875 10.003 0.948 1.00 0.28 N ATOM 643 CA ALA A 514 5.434 11.241 1.463 1.00 0.33 C ATOM 644 C ALA A 514 4.332 12.252 1.738 1.00 0.31 C ATOM 645 O ALA A 514 3.270 12.213 1.108 1.00 0.31 O ATOM 646 CB ALA A 514 6.444 11.817 0.490 1.00 0.43 C ATOM 0 H ALA A 514 5.198 9.747 0.015 1.00 0.28 H new ATOM 0 HA ALA A 514 5.944 11.020 2.401 1.00 0.33 H new ATOM 0 HB1 ALA A 514 6.851 12.744 0.894 1.00 0.43 H new ATOM 0 HB2 ALA A 514 7.252 11.101 0.338 1.00 0.43 H new ATOM 0 HB3 ALA A 514 5.956 12.020 -0.463 1.00 0.43 H new ATOM 652 N ASN A 515 4.587 13.137 2.697 1.00 0.36 N ATOM 653 CA ASN A 515 3.637 14.181 3.075 1.00 0.40 C ATOM 654 C ASN A 515 2.373 13.566 3.666 1.00 0.39 C ATOM 655 O ASN A 515 1.286 14.140 3.568 1.00 0.44 O ATOM 656 CB ASN A 515 3.283 15.067 1.871 1.00 0.43 C ATOM 657 CG ASN A 515 4.500 15.707 1.232 1.00 1.29 C ATOM 658 OD1 ASN A 515 5.086 15.162 0.295 1.00 2.26 O ATOM 659 ND2 ASN A 515 4.891 16.865 1.734 1.00 1.69 N ATOM 0 H ASN A 515 5.455 13.152 3.233 1.00 0.36 H new ATOM 0 HA ASN A 515 4.110 14.806 3.832 1.00 0.40 H new ATOM 0 HB2 ASN A 515 2.761 14.467 1.126 1.00 0.43 H new ATOM 0 HB3 ASN A 515 2.594 15.848 2.191 1.00 0.43 H new ATOM 0 HD21 ASN A 515 5.705 17.341 1.345 1.00 1.69 H new ATOM 0 HD22 ASN A 515 4.378 17.283 2.510 1.00 1.69 H new ATOM 666 N ASP A 516 2.535 12.387 4.271 1.00 0.36 N ATOM 667 CA ASP A 516 1.437 11.653 4.908 1.00 0.37 C ATOM 668 C ASP A 516 0.284 11.430 3.939 1.00 0.34 C ATOM 669 O ASP A 516 -0.886 11.483 4.326 1.00 0.41 O ATOM 670 CB ASP A 516 0.927 12.377 6.160 1.00 0.45 C ATOM 671 CG ASP A 516 1.971 12.479 7.252 1.00 0.89 C ATOM 672 OD1 ASP A 516 2.363 11.428 7.809 1.00 1.60 O ATOM 673 OD2 ASP A 516 2.401 13.608 7.573 1.00 1.62 O ATOM 0 H ASP A 516 3.435 11.912 4.334 1.00 0.36 H new ATOM 0 HA ASP A 516 1.837 10.684 5.206 1.00 0.37 H new ATOM 0 HB2 ASP A 516 0.598 13.379 5.885 1.00 0.45 H new ATOM 0 HB3 ASP A 516 0.055 11.851 6.547 1.00 0.45 H new ATOM 678 N ALA A 517 0.619 11.194 2.678 1.00 0.31 N ATOM 679 CA ALA A 517 -0.387 10.932 1.665 1.00 0.30 C ATOM 680 C ALA A 517 -1.075 9.606 1.943 1.00 0.25 C ATOM 681 O ALA A 517 -0.416 8.581 2.139 1.00 0.23 O ATOM 682 CB ALA A 517 0.235 10.937 0.282 1.00 0.32 C ATOM 0 H ALA A 517 1.579 11.179 2.335 1.00 0.31 H new ATOM 0 HA ALA A 517 -1.135 11.724 1.701 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.535 10.739 -0.464 1.00 0.32 H new ATOM 0 HB2 ALA A 517 0.685 11.911 0.089 1.00 0.32 H new ATOM 0 HB3 ALA A 517 1.002 10.165 0.225 1.00 0.32 H new ATOM 688 N LYS A 518 -2.395 9.632 1.956 1.00 0.28 N ATOM 689 CA LYS A 518 -3.178 8.470 2.339 1.00 0.28 C ATOM 690 C LYS A 518 -3.563 7.654 1.117 1.00 0.24 C ATOM 691 O LYS A 518 -4.250 8.137 0.218 1.00 0.38 O ATOM 692 CB LYS A 518 -4.436 8.899 3.101 1.00 0.41 C ATOM 693 CG LYS A 518 -4.147 9.697 4.364 1.00 0.56 C ATOM 694 CD LYS A 518 -3.381 8.875 5.387 1.00 0.64 C ATOM 695 CE LYS A 518 -3.002 9.706 6.604 1.00 0.99 C ATOM 696 NZ LYS A 518 -4.195 10.219 7.331 1.00 1.55 N ATOM 0 H LYS A 518 -2.951 10.450 1.704 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.565 7.849 2.992 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -5.063 9.497 2.440 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -5.009 8.011 3.367 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -3.572 10.587 4.108 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -5.085 10.039 4.801 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -3.988 8.026 5.700 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -2.479 8.470 4.927 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -2.399 9.101 7.281 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -2.382 10.546 6.289 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -3.894 10.662 8.223 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -4.684 10.923 6.742 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -4.842 9.431 7.537 1.00 1.55 H new ATOM 710 N LEU A 519 -3.107 6.418 1.091 1.00 0.16 N ATOM 711 CA LEU A 519 -3.393 5.508 0.002 1.00 0.15 C ATOM 712 C LEU A 519 -4.446 4.496 0.426 1.00 0.14 C ATOM 713 O LEU A 519 -4.362 3.919 1.511 1.00 0.21 O ATOM 714 CB LEU A 519 -2.095 4.812 -0.420 1.00 0.20 C ATOM 715 CG LEU A 519 -2.199 3.738 -1.513 1.00 0.25 C ATOM 716 CD1 LEU A 519 -0.858 3.519 -2.171 1.00 0.89 C ATOM 717 CD2 LEU A 519 -2.767 2.429 -0.986 1.00 0.72 C ATOM 0 H LEU A 519 -2.526 6.016 1.827 1.00 0.16 H new ATOM 0 HA LEU A 519 -3.790 6.061 -0.849 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.398 5.576 -0.762 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.655 4.352 0.465 1.00 0.20 H new ATOM 0 HG LEU A 519 -2.900 4.107 -2.262 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -0.952 2.755 -2.942 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -0.518 4.451 -2.623 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -0.135 3.193 -1.423 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -2.820 1.703 -1.797 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -2.122 2.044 -0.196 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -3.767 2.601 -0.587 1.00 0.72 H new ATOM 729 N TYR A 520 -5.433 4.292 -0.430 1.00 0.12 N ATOM 730 CA TYR A 520 -6.426 3.253 -0.213 1.00 0.14 C ATOM 731 C TYR A 520 -6.449 2.307 -1.401 1.00 0.16 C ATOM 732 O TYR A 520 -6.608 2.735 -2.543 1.00 0.22 O ATOM 733 CB TYR A 520 -7.816 3.853 -0.026 1.00 0.19 C ATOM 734 CG TYR A 520 -7.901 4.911 1.052 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.976 4.555 2.389 1.00 0.96 C ATOM 736 CD2 TYR A 520 -7.922 6.262 0.731 1.00 1.05 C ATOM 737 CE1 TYR A 520 -8.069 5.515 3.380 1.00 0.97 C ATOM 738 CE2 TYR A 520 -8.011 7.229 1.716 1.00 1.10 C ATOM 739 CZ TYR A 520 -8.086 6.848 3.039 1.00 0.40 C ATOM 740 OH TYR A 520 -8.186 7.806 4.025 1.00 0.50 O ATOM 0 H TYR A 520 -5.568 4.833 -1.284 1.00 0.12 H new ATOM 0 HA TYR A 520 -6.154 2.710 0.692 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.141 4.288 -0.971 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.515 3.052 0.213 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -7.962 3.510 2.662 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -7.868 6.563 -0.305 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -8.128 5.220 4.417 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -8.022 8.276 1.450 1.00 1.10 H new ATOM 0 HH TYR A 520 -8.183 8.697 3.617 1.00 0.50 H new ATOM 750 N VAL A 521 -6.264 1.030 -1.132 1.00 0.17 N ATOM 751 CA VAL A 521 -6.311 0.021 -2.172 1.00 0.17 C ATOM 752 C VAL A 521 -7.267 -1.105 -1.798 1.00 0.18 C ATOM 753 O VAL A 521 -7.183 -1.668 -0.707 1.00 0.20 O ATOM 754 CB VAL A 521 -4.898 -0.527 -2.467 1.00 0.19 C ATOM 755 CG1 VAL A 521 -4.943 -1.933 -3.044 1.00 0.33 C ATOM 756 CG2 VAL A 521 -4.177 0.415 -3.406 1.00 0.28 C ATOM 0 H VAL A 521 -6.079 0.665 -0.198 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.688 0.490 -3.081 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.353 -0.589 -1.525 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -3.928 -2.280 -3.237 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.427 -2.603 -2.333 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.507 -1.926 -3.977 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -3.179 0.028 -3.614 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.736 0.498 -4.338 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -4.095 1.398 -2.943 1.00 0.28 H new ATOM 766 N PRO A 522 -8.201 -1.427 -2.704 1.00 0.19 N ATOM 767 CA PRO A 522 -9.197 -2.473 -2.480 1.00 0.22 C ATOM 768 C PRO A 522 -8.580 -3.863 -2.522 1.00 0.20 C ATOM 769 O PRO A 522 -7.669 -4.129 -3.310 1.00 0.19 O ATOM 770 CB PRO A 522 -10.181 -2.286 -3.639 1.00 0.25 C ATOM 771 CG PRO A 522 -9.391 -1.629 -4.716 1.00 0.22 C ATOM 772 CD PRO A 522 -8.345 -0.795 -4.030 1.00 0.19 C ATOM 0 HA PRO A 522 -9.663 -2.393 -1.498 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.583 -3.242 -3.973 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -11.029 -1.670 -3.341 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -8.930 -2.372 -5.367 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -10.031 -1.009 -5.344 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.404 -0.802 -4.580 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -8.657 0.246 -3.945 1.00 0.19 H new ATOM 780 N VAL A 523 -9.094 -4.753 -1.683 1.00 0.22 N ATOM 781 CA VAL A 523 -8.568 -6.110 -1.584 1.00 0.24 C ATOM 782 C VAL A 523 -8.872 -6.922 -2.843 1.00 0.25 C ATOM 783 O VAL A 523 -8.393 -8.044 -3.002 1.00 0.32 O ATOM 784 CB VAL A 523 -9.118 -6.850 -0.346 1.00 0.29 C ATOM 785 CG1 VAL A 523 -8.606 -6.202 0.932 1.00 0.31 C ATOM 786 CG2 VAL A 523 -10.641 -6.877 -0.361 1.00 0.30 C ATOM 0 H VAL A 523 -9.877 -4.559 -1.059 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.487 -6.015 -1.478 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.762 -7.880 -0.379 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -9.003 -6.736 1.795 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -7.517 -6.243 0.950 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.930 -5.162 0.968 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -11.004 -7.404 0.521 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -11.023 -5.856 -0.357 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -10.987 -7.390 -1.258 1.00 0.30 H new ATOM 796 N SER A 524 -9.667 -6.348 -3.733 1.00 0.24 N ATOM 797 CA SER A 524 -9.974 -6.981 -5.005 1.00 0.28 C ATOM 798 C SER A 524 -8.892 -6.663 -6.037 1.00 0.28 C ATOM 799 O SER A 524 -8.787 -7.327 -7.066 1.00 0.37 O ATOM 800 CB SER A 524 -11.338 -6.505 -5.506 1.00 0.36 C ATOM 801 OG SER A 524 -12.334 -6.677 -4.509 1.00 1.34 O ATOM 0 H SER A 524 -10.113 -5.441 -3.596 1.00 0.24 H new ATOM 0 HA SER A 524 -10.004 -8.061 -4.861 1.00 0.28 H new ATOM 0 HB2 SER A 524 -11.279 -5.454 -5.789 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.615 -7.061 -6.402 1.00 0.36 H new ATOM 0 HG SER A 524 -13.197 -6.364 -4.852 1.00 1.34 H new ATOM 807 N SER A 525 -8.074 -5.656 -5.742 1.00 0.24 N ATOM 808 CA SER A 525 -7.038 -5.210 -6.665 1.00 0.25 C ATOM 809 C SER A 525 -5.646 -5.458 -6.084 1.00 0.24 C ATOM 810 O SER A 525 -4.678 -4.793 -6.456 1.00 0.27 O ATOM 811 CB SER A 525 -7.222 -3.724 -6.978 1.00 0.27 C ATOM 812 OG SER A 525 -8.535 -3.465 -7.452 1.00 0.28 O ATOM 0 H SER A 525 -8.110 -5.133 -4.867 1.00 0.24 H new ATOM 0 HA SER A 525 -7.129 -5.784 -7.587 1.00 0.25 H new ATOM 0 HB2 SER A 525 -7.031 -3.133 -6.082 1.00 0.27 H new ATOM 0 HB3 SER A 525 -6.493 -3.413 -7.726 1.00 0.27 H new ATOM 0 HG SER A 525 -8.631 -2.509 -7.644 1.00 0.28 H new ATOM 818 N LEU A 526 -5.552 -6.432 -5.186 1.00 0.25 N ATOM 819 CA LEU A 526 -4.300 -6.738 -4.497 1.00 0.26 C ATOM 820 C LEU A 526 -3.206 -7.169 -5.468 1.00 0.30 C ATOM 821 O LEU A 526 -2.029 -6.915 -5.234 1.00 0.39 O ATOM 822 CB LEU A 526 -4.524 -7.828 -3.447 1.00 0.31 C ATOM 823 CG LEU A 526 -5.266 -7.367 -2.194 1.00 0.38 C ATOM 824 CD1 LEU A 526 -5.515 -8.536 -1.254 1.00 0.51 C ATOM 825 CD2 LEU A 526 -4.481 -6.270 -1.485 1.00 0.46 C ATOM 0 H LEU A 526 -6.334 -7.029 -4.915 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.967 -5.823 -4.006 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -5.084 -8.644 -3.904 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.556 -8.232 -3.151 1.00 0.31 H new ATOM 0 HG LEU A 526 -6.232 -6.962 -2.497 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -6.045 -8.184 -0.369 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -6.117 -9.289 -1.762 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -4.562 -8.973 -0.957 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -5.023 -5.952 -0.594 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -3.502 -6.652 -1.197 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -4.356 -5.420 -2.156 1.00 0.46 H new ATOM 837 N HIS A 527 -3.597 -7.785 -6.575 1.00 0.31 N ATOM 838 CA HIS A 527 -2.636 -8.280 -7.563 1.00 0.41 C ATOM 839 C HIS A 527 -1.843 -7.139 -8.214 1.00 0.44 C ATOM 840 O HIS A 527 -0.980 -7.375 -9.060 1.00 0.64 O ATOM 841 CB HIS A 527 -3.348 -9.114 -8.641 1.00 0.50 C ATOM 842 CG HIS A 527 -4.252 -8.328 -9.545 1.00 1.49 C ATOM 843 ND1 HIS A 527 -4.121 -8.320 -10.916 1.00 2.24 N ATOM 844 CD2 HIS A 527 -5.314 -7.535 -9.270 1.00 2.53 C ATOM 845 CE1 HIS A 527 -5.061 -7.559 -11.442 1.00 3.18 C ATOM 846 NE2 HIS A 527 -5.797 -7.072 -10.465 1.00 3.40 N ATOM 0 H HIS A 527 -4.573 -7.956 -6.816 1.00 0.31 H new ATOM 0 HA HIS A 527 -1.927 -8.915 -7.032 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -2.595 -9.616 -9.249 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -3.933 -9.892 -8.151 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -5.708 -7.309 -8.290 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -5.203 -7.368 -12.495 1.00 3.18 H new ATOM 0 HE2 HIS A 527 -6.598 -6.450 -10.580 1.00 3.40 H new ATOM 855 N LEU A 528 -2.144 -5.906 -7.824 1.00 0.33 N ATOM 856 CA LEU A 528 -1.446 -4.742 -8.343 1.00 0.38 C ATOM 857 C LEU A 528 -0.445 -4.194 -7.318 1.00 0.41 C ATOM 858 O LEU A 528 0.278 -3.232 -7.594 1.00 0.57 O ATOM 859 CB LEU A 528 -2.454 -3.660 -8.725 1.00 0.36 C ATOM 860 CG LEU A 528 -3.494 -4.065 -9.772 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.443 -2.910 -10.044 1.00 0.34 C ATOM 862 CD2 LEU A 528 -2.819 -4.513 -11.060 1.00 0.42 C ATOM 0 H LEU A 528 -2.873 -5.689 -7.145 1.00 0.33 H new ATOM 0 HA LEU A 528 -0.888 -5.045 -9.229 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -2.977 -3.342 -7.823 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -1.907 -2.794 -9.098 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.067 -4.905 -9.380 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.178 -3.211 -10.791 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -4.955 -2.634 -9.122 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -3.878 -2.055 -10.415 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -3.578 -4.796 -11.789 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.219 -3.696 -11.460 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.176 -5.369 -10.855 1.00 0.42 H new ATOM 874 N ILE A 529 -0.427 -4.789 -6.129 1.00 0.31 N ATOM 875 CA ILE A 529 0.539 -4.431 -5.098 1.00 0.29 C ATOM 876 C ILE A 529 1.569 -5.543 -4.932 1.00 0.31 C ATOM 877 O ILE A 529 1.273 -6.714 -5.174 1.00 0.42 O ATOM 878 CB ILE A 529 -0.164 -4.209 -3.745 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.386 -3.314 -3.929 1.00 0.32 C ATOM 880 CG2 ILE A 529 0.795 -3.607 -2.720 1.00 0.33 C ATOM 881 CD1 ILE A 529 -1.052 -1.852 -4.161 1.00 0.43 C ATOM 0 H ILE A 529 -1.076 -5.527 -5.855 1.00 0.31 H new ATOM 0 HA ILE A 529 1.031 -3.509 -5.408 1.00 0.29 H new ATOM 0 HB ILE A 529 -0.492 -5.177 -3.366 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -1.968 -3.681 -4.774 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -2.019 -3.395 -3.046 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.272 -3.461 -1.775 1.00 0.33 H new ATOM 0 HG22 ILE A 529 1.637 -4.283 -2.569 1.00 0.33 H new ATOM 0 HG23 ILE A 529 1.161 -2.647 -3.084 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -1.974 -1.283 -4.282 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.497 -1.466 -3.306 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.445 -1.756 -5.061 1.00 0.43 H new ATOM 893 N SER A 530 2.773 -5.179 -4.526 1.00 0.31 N ATOM 894 CA SER A 530 3.808 -6.156 -4.253 1.00 0.37 C ATOM 895 C SER A 530 4.772 -5.639 -3.209 1.00 0.31 C ATOM 896 O SER A 530 4.943 -4.436 -3.039 1.00 0.35 O ATOM 897 CB SER A 530 4.544 -6.530 -5.540 1.00 0.45 C ATOM 898 OG SER A 530 4.228 -7.855 -5.940 1.00 0.99 O ATOM 0 H SER A 530 3.057 -4.210 -4.378 1.00 0.31 H new ATOM 0 HA SER A 530 3.336 -7.055 -3.857 1.00 0.37 H new ATOM 0 HB2 SER A 530 4.274 -5.833 -6.333 1.00 0.45 H new ATOM 0 HB3 SER A 530 5.619 -6.439 -5.388 1.00 0.45 H new ATOM 0 HG SER A 530 4.709 -8.071 -6.766 1.00 0.99 H new ATOM 904 N ARG A 531 5.371 -6.567 -2.491 1.00 0.39 N ATOM 905 CA ARG A 531 6.298 -6.243 -1.431 1.00 0.42 C ATOM 906 C ARG A 531 7.636 -5.850 -2.035 1.00 0.36 C ATOM 907 O ARG A 531 8.109 -6.506 -2.960 1.00 0.41 O ATOM 908 CB ARG A 531 6.453 -7.455 -0.520 1.00 0.57 C ATOM 909 CG ARG A 531 7.026 -7.133 0.839 1.00 0.54 C ATOM 910 CD ARG A 531 7.171 -8.392 1.678 1.00 0.95 C ATOM 911 NE ARG A 531 7.774 -8.136 2.985 1.00 1.31 N ATOM 912 CZ ARG A 531 7.874 -9.053 3.946 1.00 1.92 C ATOM 913 NH1 ARG A 531 7.396 -10.277 3.748 1.00 2.47 N ATOM 914 NH2 ARG A 531 8.453 -8.746 5.101 1.00 2.51 N ATOM 0 H ARG A 531 5.227 -7.568 -2.628 1.00 0.39 H new ATOM 0 HA ARG A 531 5.923 -5.405 -0.844 1.00 0.42 H new ATOM 0 HB2 ARG A 531 5.478 -7.926 -0.390 1.00 0.57 H new ATOM 0 HB3 ARG A 531 7.097 -8.185 -1.010 1.00 0.57 H new ATOM 0 HG2 ARG A 531 7.998 -6.654 0.724 1.00 0.54 H new ATOM 0 HG3 ARG A 531 6.379 -6.422 1.352 1.00 0.54 H new ATOM 0 HD2 ARG A 531 6.189 -8.845 1.818 1.00 0.95 H new ATOM 0 HD3 ARG A 531 7.781 -9.115 1.137 1.00 0.95 H new ATOM 0 HE ARG A 531 8.139 -7.202 3.172 1.00 1.31 H new ATOM 0 HH11 ARG A 531 6.953 -10.514 2.860 1.00 2.47 H new ATOM 0 HH12 ARG A 531 7.472 -10.979 4.484 1.00 2.47 H new ATOM 0 HH21 ARG A 531 8.822 -7.807 5.253 1.00 2.51 H new ATOM 0 HH22 ARG A 531 8.529 -9.449 5.836 1.00 2.51 H new ATOM 928 N TYR A 532 8.223 -4.773 -1.521 1.00 0.37 N ATOM 929 CA TYR A 532 9.457 -4.229 -2.067 1.00 0.50 C ATOM 930 C TYR A 532 10.558 -5.281 -2.100 1.00 0.77 C ATOM 931 O TYR A 532 11.068 -5.702 -1.059 1.00 1.57 O ATOM 932 CB TYR A 532 9.909 -3.024 -1.241 1.00 0.57 C ATOM 933 CG TYR A 532 11.064 -2.277 -1.852 1.00 0.48 C ATOM 934 CD1 TYR A 532 12.372 -2.551 -1.478 1.00 1.43 C ATOM 935 CD2 TYR A 532 10.844 -1.303 -2.811 1.00 1.15 C ATOM 936 CE1 TYR A 532 13.432 -1.875 -2.047 1.00 1.48 C ATOM 937 CE2 TYR A 532 11.898 -0.617 -3.386 1.00 1.24 C ATOM 938 CZ TYR A 532 13.191 -0.909 -2.999 1.00 0.77 C ATOM 939 OH TYR A 532 14.248 -0.238 -3.572 1.00 1.01 O ATOM 0 H TYR A 532 7.858 -4.258 -0.720 1.00 0.37 H new ATOM 0 HA TYR A 532 9.262 -3.912 -3.091 1.00 0.50 H new ATOM 0 HB2 TYR A 532 9.068 -2.341 -1.119 1.00 0.57 H new ATOM 0 HB3 TYR A 532 10.192 -3.362 -0.244 1.00 0.57 H new ATOM 0 HD1 TYR A 532 12.563 -3.306 -0.729 1.00 1.43 H new ATOM 0 HD2 TYR A 532 9.833 -1.075 -3.115 1.00 1.15 H new ATOM 0 HE1 TYR A 532 14.445 -2.102 -1.748 1.00 1.48 H new ATOM 0 HE2 TYR A 532 11.711 0.141 -4.132 1.00 1.24 H new ATOM 0 HH TYR A 532 13.909 0.410 -4.225 1.00 1.01 H new ATOM 949 N ALA A 533 10.907 -5.708 -3.301 1.00 0.88 N ATOM 950 CA ALA A 533 11.971 -6.675 -3.491 1.00 1.11 C ATOM 951 C ALA A 533 13.164 -6.012 -4.164 1.00 1.43 C ATOM 952 O ALA A 533 13.142 -5.746 -5.367 1.00 1.88 O ATOM 953 CB ALA A 533 11.473 -7.852 -4.314 1.00 1.66 C ATOM 0 H ALA A 533 10.464 -5.396 -4.165 1.00 0.88 H new ATOM 0 HA ALA A 533 12.288 -7.050 -2.518 1.00 1.11 H new ATOM 0 HB1 ALA A 533 12.282 -8.570 -4.449 1.00 1.66 H new ATOM 0 HB2 ALA A 533 10.643 -8.333 -3.796 1.00 1.66 H new ATOM 0 HB3 ALA A 533 11.136 -7.498 -5.288 1.00 1.66 H new ATOM 959 N GLY A 534 14.190 -5.726 -3.383 1.00 1.85 N ATOM 960 CA GLY A 534 15.362 -5.068 -3.917 1.00 2.51 C ATOM 961 C GLY A 534 16.604 -5.371 -3.110 1.00 2.55 C ATOM 962 O GLY A 534 16.751 -6.476 -2.581 1.00 3.23 O ATOM 0 H GLY A 534 14.233 -5.938 -2.386 1.00 1.85 H new ATOM 0 HA2 GLY A 534 15.515 -5.384 -4.949 1.00 2.51 H new ATOM 0 HA3 GLY A 534 15.196 -3.991 -3.934 1.00 2.51 H new ATOM 966 N GLY A 535 17.491 -4.393 -3.004 1.00 2.26 N ATOM 967 CA GLY A 535 18.718 -4.585 -2.259 1.00 2.32 C ATOM 968 C GLY A 535 18.474 -4.613 -0.767 1.00 1.64 C ATOM 969 O GLY A 535 18.863 -5.557 -0.079 1.00 1.87 O ATOM 0 H GLY A 535 17.383 -3.469 -3.421 1.00 2.26 H new ATOM 0 HA2 GLY A 535 19.188 -5.519 -2.568 1.00 2.32 H new ATOM 0 HA3 GLY A 535 19.417 -3.783 -2.497 1.00 2.32 H new ATOM 973 N ALA A 536 17.819 -3.578 -0.272 1.00 1.36 N ATOM 974 CA ALA A 536 17.479 -3.484 1.136 1.00 1.04 C ATOM 975 C ALA A 536 16.173 -2.725 1.303 1.00 0.86 C ATOM 976 O ALA A 536 15.959 -1.695 0.660 1.00 0.93 O ATOM 977 CB ALA A 536 18.595 -2.796 1.907 1.00 1.69 C ATOM 0 H ALA A 536 17.509 -2.783 -0.831 1.00 1.36 H new ATOM 0 HA ALA A 536 17.356 -4.490 1.537 1.00 1.04 H new ATOM 0 HB1 ALA A 536 18.324 -2.734 2.961 1.00 1.69 H new ATOM 0 HB2 ALA A 536 19.516 -3.369 1.802 1.00 1.69 H new ATOM 0 HB3 ALA A 536 18.745 -1.792 1.511 1.00 1.69 H new ATOM 983 N GLU A 537 15.300 -3.242 2.158 1.00 0.77 N ATOM 984 CA GLU A 537 13.990 -2.636 2.382 1.00 0.79 C ATOM 985 C GLU A 537 14.119 -1.307 3.122 1.00 0.66 C ATOM 986 O GLU A 537 13.251 -0.444 3.018 1.00 0.68 O ATOM 987 CB GLU A 537 13.079 -3.593 3.158 1.00 1.03 C ATOM 988 CG GLU A 537 13.684 -4.102 4.456 1.00 1.51 C ATOM 989 CD GLU A 537 12.751 -5.020 5.214 1.00 2.08 C ATOM 990 OE1 GLU A 537 12.683 -6.217 4.873 1.00 2.73 O ATOM 991 OE2 GLU A 537 12.088 -4.549 6.160 1.00 2.51 O ATOM 0 H GLU A 537 15.474 -4.082 2.710 1.00 0.77 H new ATOM 0 HA GLU A 537 13.541 -2.440 1.409 1.00 0.79 H new ATOM 0 HB2 GLU A 537 12.140 -3.085 3.380 1.00 1.03 H new ATOM 0 HB3 GLU A 537 12.838 -4.445 2.522 1.00 1.03 H new ATOM 0 HG2 GLU A 537 14.610 -4.633 4.237 1.00 1.51 H new ATOM 0 HG3 GLU A 537 13.945 -3.253 5.088 1.00 1.51 H new ATOM 998 N GLU A 538 15.210 -1.141 3.860 1.00 0.73 N ATOM 999 CA GLU A 538 15.467 0.108 4.565 1.00 0.90 C ATOM 1000 C GLU A 538 16.070 1.141 3.615 1.00 0.90 C ATOM 1001 O GLU A 538 16.201 2.318 3.953 1.00 1.09 O ATOM 1002 CB GLU A 538 16.396 -0.134 5.754 1.00 1.12 C ATOM 1003 CG GLU A 538 17.774 -0.642 5.364 1.00 2.06 C ATOM 1004 CD GLU A 538 18.589 -1.070 6.563 1.00 2.73 C ATOM 1005 OE1 GLU A 538 18.554 -2.267 6.910 1.00 3.26 O ATOM 1006 OE2 GLU A 538 19.267 -0.213 7.165 1.00 3.34 O ATOM 0 H GLU A 538 15.929 -1.854 3.985 1.00 0.73 H new ATOM 0 HA GLU A 538 14.520 0.497 4.940 1.00 0.90 H new ATOM 0 HB2 GLU A 538 16.507 0.796 6.312 1.00 1.12 H new ATOM 0 HB3 GLU A 538 15.930 -0.855 6.426 1.00 1.12 H new ATOM 0 HG2 GLU A 538 17.668 -1.484 4.680 1.00 2.06 H new ATOM 0 HG3 GLU A 538 18.308 0.141 4.825 1.00 2.06 H new ATOM 1013 N ASN A 539 16.419 0.693 2.416 1.00 0.84 N ATOM 1014 CA ASN A 539 16.974 1.573 1.394 1.00 1.00 C ATOM 1015 C ASN A 539 15.867 1.999 0.430 1.00 0.82 C ATOM 1016 O ASN A 539 16.121 2.525 -0.652 1.00 0.94 O ATOM 1017 CB ASN A 539 18.110 0.864 0.641 1.00 1.28 C ATOM 1018 CG ASN A 539 18.868 1.785 -0.302 1.00 1.84 C ATOM 1019 OD1 ASN A 539 18.997 2.984 -0.052 1.00 2.35 O ATOM 1020 ND2 ASN A 539 19.374 1.229 -1.394 1.00 2.52 N ATOM 0 H ASN A 539 16.327 -0.280 2.126 1.00 0.84 H new ATOM 0 HA ASN A 539 17.387 2.463 1.869 1.00 1.00 H new ATOM 0 HB2 ASN A 539 18.807 0.440 1.364 1.00 1.28 H new ATOM 0 HB3 ASN A 539 17.696 0.032 0.071 1.00 1.28 H new ATOM 0 HD21 ASN A 539 19.892 1.799 -2.063 1.00 2.52 H new ATOM 0 HD22 ASN A 539 19.245 0.232 -1.565 1.00 2.52 H new ATOM 1027 N ALA A 540 14.628 1.763 0.838 1.00 0.59 N ATOM 1028 CA ALA A 540 13.474 2.097 0.020 1.00 0.51 C ATOM 1029 C ALA A 540 13.221 3.603 0.015 1.00 0.47 C ATOM 1030 O ALA A 540 13.271 4.252 1.060 1.00 0.51 O ATOM 1031 CB ALA A 540 12.245 1.359 0.526 1.00 0.47 C ATOM 0 H ALA A 540 14.397 1.339 1.736 1.00 0.59 H new ATOM 0 HA ALA A 540 13.681 1.786 -1.004 1.00 0.51 H new ATOM 0 HB1 ALA A 540 11.386 1.616 -0.093 1.00 0.47 H new ATOM 0 HB2 ALA A 540 12.420 0.284 0.476 1.00 0.47 H new ATOM 0 HB3 ALA A 540 12.047 1.647 1.558 1.00 0.47 H new ATOM 1037 N PRO A 541 12.966 4.173 -1.171 1.00 0.46 N ATOM 1038 CA PRO A 541 12.631 5.588 -1.318 1.00 0.45 C ATOM 1039 C PRO A 541 11.156 5.852 -1.014 1.00 0.45 C ATOM 1040 O PRO A 541 10.369 4.915 -0.862 1.00 0.60 O ATOM 1041 CB PRO A 541 12.945 5.854 -2.788 1.00 0.49 C ATOM 1042 CG PRO A 541 12.662 4.561 -3.465 1.00 0.53 C ATOM 1043 CD PRO A 541 12.993 3.479 -2.471 1.00 0.52 C ATOM 0 HA PRO A 541 13.180 6.232 -0.631 1.00 0.45 H new ATOM 0 HB2 PRO A 541 12.325 6.656 -3.188 1.00 0.49 H new ATOM 0 HB3 PRO A 541 13.984 6.155 -2.925 1.00 0.49 H new ATOM 0 HG2 PRO A 541 11.617 4.502 -3.769 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.263 4.456 -4.368 1.00 0.53 H new ATOM 0 HD2 PRO A 541 12.266 2.668 -2.506 1.00 0.52 H new ATOM 0 HD3 PRO A 541 13.971 3.040 -2.669 1.00 0.52 H new ATOM 1051 N LEU A 542 10.777 7.117 -0.929 1.00 0.37 N ATOM 1052 CA LEU A 542 9.415 7.466 -0.556 1.00 0.38 C ATOM 1053 C LEU A 542 8.790 8.420 -1.572 1.00 0.35 C ATOM 1054 O LEU A 542 9.135 9.600 -1.635 1.00 0.43 O ATOM 1055 CB LEU A 542 9.394 8.082 0.845 1.00 0.49 C ATOM 1056 CG LEU A 542 8.006 8.402 1.401 1.00 0.58 C ATOM 1057 CD1 LEU A 542 7.166 7.139 1.506 1.00 0.60 C ATOM 1058 CD2 LEU A 542 8.123 9.078 2.757 1.00 1.40 C ATOM 0 H LEU A 542 11.387 7.914 -1.111 1.00 0.37 H new ATOM 0 HA LEU A 542 8.820 6.553 -0.549 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.893 7.398 1.532 1.00 0.49 H new ATOM 0 HB3 LEU A 542 9.981 9.001 0.828 1.00 0.49 H new ATOM 0 HG LEU A 542 7.509 9.086 0.714 1.00 0.58 H new ATOM 0 HD11 LEU A 542 6.182 7.388 1.904 1.00 0.60 H new ATOM 0 HD12 LEU A 542 7.055 6.692 0.518 1.00 0.60 H new ATOM 0 HD13 LEU A 542 7.657 6.430 2.172 1.00 0.60 H new ATOM 0 HD21 LEU A 542 7.127 9.300 3.140 1.00 1.40 H new ATOM 0 HD22 LEU A 542 8.639 8.415 3.451 1.00 1.40 H new ATOM 0 HD23 LEU A 542 8.687 10.005 2.654 1.00 1.40 H new ATOM 1070 N HIS A 543 7.870 7.886 -2.363 1.00 0.31 N ATOM 1071 CA HIS A 543 7.153 8.660 -3.376 1.00 0.32 C ATOM 1072 C HIS A 543 5.951 9.361 -2.754 1.00 0.29 C ATOM 1073 O HIS A 543 5.614 9.100 -1.602 1.00 0.33 O ATOM 1074 CB HIS A 543 6.691 7.748 -4.517 1.00 0.43 C ATOM 1075 CG HIS A 543 7.806 7.231 -5.375 1.00 0.62 C ATOM 1076 ND1 HIS A 543 7.591 6.537 -6.544 1.00 0.69 N ATOM 1077 CD2 HIS A 543 9.151 7.307 -5.228 1.00 1.25 C ATOM 1078 CE1 HIS A 543 8.752 6.208 -7.078 1.00 1.06 C ATOM 1079 NE2 HIS A 543 9.714 6.664 -6.299 1.00 1.47 N ATOM 0 H HIS A 543 7.597 6.904 -2.323 1.00 0.31 H new ATOM 0 HA HIS A 543 7.832 9.412 -3.779 1.00 0.32 H new ATOM 0 HB2 HIS A 543 6.149 6.902 -4.095 1.00 0.43 H new ATOM 0 HB3 HIS A 543 5.988 8.296 -5.144 1.00 0.43 H new ATOM 0 HD1 HIS A 543 6.677 6.312 -6.936 1.00 0.69 H new ATOM 0 HD2 HIS A 543 9.681 7.785 -4.417 1.00 1.25 H new ATOM 0 HE1 HIS A 543 8.891 5.658 -7.997 1.00 1.06 H new ATOM 1088 N LYS A 544 5.334 10.279 -3.493 1.00 0.35 N ATOM 1089 CA LYS A 544 4.124 10.942 -3.017 1.00 0.44 C ATOM 1090 C LYS A 544 2.996 10.808 -4.044 1.00 0.43 C ATOM 1091 O LYS A 544 3.249 10.715 -5.246 1.00 0.61 O ATOM 1092 CB LYS A 544 4.411 12.418 -2.687 1.00 0.67 C ATOM 1093 CG LYS A 544 4.571 13.340 -3.892 1.00 1.35 C ATOM 1094 CD LYS A 544 3.250 13.979 -4.308 1.00 1.77 C ATOM 1095 CE LYS A 544 2.650 14.820 -3.190 1.00 2.62 C ATOM 1096 NZ LYS A 544 1.417 15.528 -3.626 1.00 3.40 N ATOM 0 H LYS A 544 5.649 10.579 -4.416 1.00 0.35 H new ATOM 0 HA LYS A 544 3.797 10.453 -2.099 1.00 0.44 H new ATOM 0 HB2 LYS A 544 3.600 12.798 -2.066 1.00 0.67 H new ATOM 0 HB3 LYS A 544 5.321 12.468 -2.089 1.00 0.67 H new ATOM 0 HG2 LYS A 544 5.292 14.122 -3.656 1.00 1.35 H new ATOM 0 HG3 LYS A 544 4.978 12.773 -4.729 1.00 1.35 H new ATOM 0 HD2 LYS A 544 3.410 14.604 -5.187 1.00 1.77 H new ATOM 0 HD3 LYS A 544 2.544 13.200 -4.595 1.00 1.77 H new ATOM 0 HE2 LYS A 544 2.419 14.180 -2.339 1.00 2.62 H new ATOM 0 HE3 LYS A 544 3.386 15.549 -2.850 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 1.041 16.089 -2.835 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 1.642 16.159 -4.422 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 0.705 14.832 -3.926 1.00 3.40 H new ATOM 1110 N LEU A 545 1.756 10.789 -3.569 1.00 0.44 N ATOM 1111 CA LEU A 545 0.601 10.719 -4.456 1.00 0.58 C ATOM 1112 C LEU A 545 -0.495 11.674 -3.997 1.00 0.66 C ATOM 1113 O LEU A 545 -0.358 12.326 -2.960 1.00 1.04 O ATOM 1114 CB LEU A 545 0.078 9.281 -4.571 1.00 1.01 C ATOM 1115 CG LEU A 545 -0.115 8.510 -3.262 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -1.386 8.932 -2.545 1.00 0.85 C ATOM 1117 CD2 LEU A 545 -0.142 7.021 -3.545 1.00 0.67 C ATOM 0 H LEU A 545 1.525 10.821 -2.576 1.00 0.44 H new ATOM 0 HA LEU A 545 0.920 11.032 -5.450 1.00 0.58 H new ATOM 0 HB2 LEU A 545 -0.878 9.308 -5.094 1.00 1.01 H new ATOM 0 HB3 LEU A 545 0.768 8.718 -5.199 1.00 1.01 H new ATOM 0 HG LEU A 545 0.724 8.742 -2.606 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -1.488 8.363 -1.621 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -1.337 9.996 -2.313 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -2.246 8.740 -3.186 1.00 0.85 H new ATOM 0 HD21 LEU A 545 -0.279 6.476 -2.611 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -0.965 6.794 -4.222 1.00 0.67 H new ATOM 0 HD23 LEU A 545 0.799 6.721 -4.005 1.00 0.67 H new ATOM 1129 N GLY A 546 -1.569 11.764 -4.773 1.00 1.15 N ATOM 1130 CA GLY A 546 -2.648 12.669 -4.435 1.00 1.43 C ATOM 1131 C GLY A 546 -3.945 12.303 -5.124 1.00 2.14 C ATOM 1132 O GLY A 546 -4.451 13.055 -5.961 1.00 2.85 O ATOM 0 H GLY A 546 -1.710 11.227 -5.628 1.00 1.15 H new ATOM 0 HA2 GLY A 546 -2.799 12.663 -3.356 1.00 1.43 H new ATOM 0 HA3 GLY A 546 -2.367 13.685 -4.712 1.00 1.43 H new ATOM 1136 N GLY A 547 -4.480 11.144 -4.780 1.00 2.68 N ATOM 1137 CA GLY A 547 -5.733 10.703 -5.350 1.00 3.84 C ATOM 1138 C GLY A 547 -6.446 9.737 -4.431 1.00 4.60 C ATOM 1139 O GLY A 547 -5.753 8.996 -3.701 1.00 4.86 O ATOM 1140 OXT GLY A 547 -7.694 9.725 -4.416 1.00 5.29 O ATOM 0 H GLY A 547 -4.065 10.496 -4.111 1.00 2.68 H new ATOM 0 HA2 GLY A 547 -6.372 11.566 -5.540 1.00 3.84 H new ATOM 0 HA3 GLY A 547 -5.549 10.224 -6.312 1.00 3.84 H new TER 1144 GLY A 547