USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 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 518 LYS NZ :NH3+ -142:sc= 0.449 (180deg=-0.703) USER MOD Set 1.2: A 520 TYR OH : rot 130:sc= 0.519 USER MOD Single : A 473 ASN : amide:sc= -0.438 K(o=-0.44,f=-5.9!) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 481 GLN : amide:sc= 0.71 K(o=0.71,f=-0.87) USER MOD Single : A 485 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-4.1!) USER MOD Single : A 488 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 493 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 496 MET CE :methyl 165:sc= -0.0601 (180deg=-0.367) USER MOD Single : A 497 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 THR OG1 : rot 72:sc= 0.0699 USER MOD Single : A 505 THR OG1 : rot 40:sc= 0.214 USER MOD Single : A 508 TYR OH : rot 180:sc= 0 USER MOD Single : A 510 MET CE :methyl 140:sc= -0.146 (180deg=-2.14) USER MOD Single : A 512 THR OG1 : rot 33:sc= 0.533 USER MOD Single : A 513 TYR OH : rot -140:sc= 1.22 USER MOD Single : A 515 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.2!) USER MOD Single : A 524 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 525 SER OG : rot -170:sc= -0.647 USER MOD Single : A 527 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 532 TYR OH : rot 180:sc= 0 USER MOD Single : A 539 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 543 HIS : no HE2:sc= 0.287 K(o=0.29,f=-2.2) USER MOD Single : A 544 LYS NZ :NH3+ -175:sc= 0.258 (180deg=0.249) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 472 4.664 -11.498 -4.479 1.00 1.75 N ATOM 2 CA ARG A 472 4.177 -10.110 -4.280 1.00 1.43 C ATOM 3 C ARG A 472 3.910 -9.818 -2.805 1.00 1.73 C ATOM 4 O ARG A 472 3.904 -8.656 -2.402 1.00 2.33 O ATOM 5 CB ARG A 472 2.891 -9.865 -5.080 1.00 1.05 C ATOM 6 CG ARG A 472 1.757 -10.806 -4.710 1.00 1.63 C ATOM 7 CD ARG A 472 0.441 -10.398 -5.353 1.00 2.44 C ATOM 8 NE ARG A 472 -0.589 -11.418 -5.154 1.00 3.40 N ATOM 9 CZ ARG A 472 -1.629 -11.288 -4.331 1.00 4.48 C ATOM 10 NH1 ARG A 472 -1.842 -10.151 -3.689 1.00 4.87 N ATOM 11 NH2 ARG A 472 -2.472 -12.298 -4.170 1.00 5.44 N ATOM 0 HA ARG A 472 4.961 -9.441 -4.635 1.00 1.43 H new ATOM 0 HB2 ARG A 472 2.565 -8.837 -4.922 1.00 1.05 H new ATOM 0 HB3 ARG A 472 3.108 -9.971 -6.143 1.00 1.05 H new ATOM 0 HG2 ARG A 472 2.012 -11.819 -5.020 1.00 1.63 H new ATOM 0 HG3 ARG A 472 1.640 -10.824 -3.626 1.00 1.63 H new ATOM 0 HD2 ARG A 472 0.105 -9.452 -4.929 1.00 2.44 H new ATOM 0 HD3 ARG A 472 0.591 -10.234 -6.420 1.00 2.44 H new ATOM 0 HE ARG A 472 -0.505 -12.287 -5.681 1.00 3.40 H new ATOM 0 HH11 ARG A 472 -1.207 -9.364 -3.822 1.00 4.87 H new ATOM 0 HH12 ARG A 472 -2.641 -10.062 -3.061 1.00 4.87 H new ATOM 0 HH21 ARG A 472 -2.324 -13.172 -4.675 1.00 5.44 H new ATOM 0 HH22 ARG A 472 -3.269 -12.202 -3.541 1.00 5.44 H new ATOM 27 N ASN A 473 3.711 -10.880 -2.015 1.00 1.77 N ATOM 28 CA ASN A 473 3.279 -10.777 -0.616 1.00 2.11 C ATOM 29 C ASN A 473 1.785 -10.441 -0.560 1.00 1.62 C ATOM 30 O ASN A 473 0.982 -11.143 -1.180 1.00 2.26 O ATOM 31 CB ASN A 473 4.137 -9.767 0.171 1.00 2.96 C ATOM 32 CG ASN A 473 3.978 -9.892 1.679 1.00 3.43 C ATOM 33 OD1 ASN A 473 3.183 -9.184 2.295 1.00 3.75 O ATOM 34 ND2 ASN A 473 4.734 -10.793 2.282 1.00 3.92 N ATOM 0 H ASN A 473 3.846 -11.841 -2.330 1.00 1.77 H new ATOM 0 HA ASN A 473 3.428 -11.741 -0.129 1.00 2.11 H new ATOM 0 HB2 ASN A 473 5.186 -9.910 -0.090 1.00 2.96 H new ATOM 0 HB3 ASN A 473 3.867 -8.756 -0.134 1.00 2.96 H new ATOM 0 HD21 ASN A 473 4.669 -10.919 3.292 1.00 3.92 H new ATOM 0 HD22 ASN A 473 5.382 -11.362 1.737 1.00 3.92 H new ATOM 41 N LEU A 474 1.424 -9.375 0.161 1.00 1.02 N ATOM 42 CA LEU A 474 0.026 -8.967 0.342 1.00 0.50 C ATOM 43 C LEU A 474 -0.708 -9.926 1.277 1.00 0.52 C ATOM 44 O LEU A 474 -0.294 -11.075 1.450 1.00 1.38 O ATOM 45 CB LEU A 474 -0.729 -8.828 -0.993 1.00 0.67 C ATOM 46 CG LEU A 474 -0.361 -7.609 -1.841 1.00 0.54 C ATOM 47 CD1 LEU A 474 -0.449 -6.350 -1.010 1.00 1.29 C ATOM 48 CD2 LEU A 474 1.027 -7.745 -2.430 1.00 0.94 C ATOM 0 H LEU A 474 2.093 -8.769 0.636 1.00 1.02 H new ATOM 0 HA LEU A 474 0.048 -7.978 0.800 1.00 0.50 H new ATOM 0 HB2 LEU A 474 -0.551 -9.726 -1.585 1.00 0.67 H new ATOM 0 HB3 LEU A 474 -1.798 -8.792 -0.782 1.00 0.67 H new ATOM 0 HG LEU A 474 -1.073 -7.547 -2.664 1.00 0.54 H new ATOM 0 HD11 LEU A 474 -0.185 -5.489 -1.624 1.00 1.29 H new ATOM 0 HD12 LEU A 474 -1.466 -6.231 -0.637 1.00 1.29 H new ATOM 0 HD13 LEU A 474 0.240 -6.420 -0.169 1.00 1.29 H new ATOM 0 HD21 LEU A 474 1.257 -6.862 -3.027 1.00 0.94 H new ATOM 0 HD22 LEU A 474 1.756 -7.839 -1.625 1.00 0.94 H new ATOM 0 HD23 LEU A 474 1.068 -8.632 -3.063 1.00 0.94 H new ATOM 60 N ALA A 475 -1.792 -9.427 1.882 1.00 1.09 N ATOM 61 CA ALA A 475 -2.568 -10.162 2.890 1.00 1.19 C ATOM 62 C ALA A 475 -1.776 -10.309 4.190 1.00 1.15 C ATOM 63 O ALA A 475 -2.155 -9.757 5.221 1.00 1.34 O ATOM 64 CB ALA A 475 -3.020 -11.523 2.367 1.00 1.36 C ATOM 0 H ALA A 475 -2.159 -8.496 1.685 1.00 1.09 H new ATOM 0 HA ALA A 475 -3.464 -9.580 3.104 1.00 1.19 H new ATOM 0 HB1 ALA A 475 -3.591 -12.038 3.139 1.00 1.36 H new ATOM 0 HB2 ALA A 475 -3.645 -11.384 1.485 1.00 1.36 H new ATOM 0 HB3 ALA A 475 -2.147 -12.119 2.103 1.00 1.36 H new ATOM 70 N GLU A 476 -0.654 -11.010 4.118 1.00 1.05 N ATOM 71 CA GLU A 476 0.202 -11.244 5.277 1.00 1.13 C ATOM 72 C GLU A 476 1.181 -10.085 5.463 1.00 0.88 C ATOM 73 O GLU A 476 2.308 -10.267 5.928 1.00 0.99 O ATOM 74 CB GLU A 476 0.961 -12.561 5.102 1.00 1.40 C ATOM 75 CG GLU A 476 0.053 -13.749 4.819 1.00 1.65 C ATOM 76 CD GLU A 476 -0.883 -14.066 5.968 1.00 1.89 C ATOM 77 OE1 GLU A 476 -1.879 -13.338 6.161 1.00 2.45 O ATOM 78 OE2 GLU A 476 -0.640 -15.062 6.678 1.00 2.32 O ATOM 0 H GLU A 476 -0.310 -11.433 3.256 1.00 1.05 H new ATOM 0 HA GLU A 476 -0.422 -11.310 6.169 1.00 1.13 H new ATOM 0 HB2 GLU A 476 1.674 -12.455 4.284 1.00 1.40 H new ATOM 0 HB3 GLU A 476 1.539 -12.762 6.004 1.00 1.40 H new ATOM 0 HG2 GLU A 476 -0.535 -13.545 3.924 1.00 1.65 H new ATOM 0 HG3 GLU A 476 0.666 -14.625 4.605 1.00 1.65 H new ATOM 85 N LEU A 477 0.736 -8.896 5.082 1.00 0.62 N ATOM 86 CA LEU A 477 1.558 -7.695 5.127 1.00 0.41 C ATOM 87 C LEU A 477 1.874 -7.281 6.558 1.00 0.48 C ATOM 88 O LEU A 477 1.109 -7.556 7.485 1.00 0.70 O ATOM 89 CB LEU A 477 0.840 -6.553 4.415 1.00 0.33 C ATOM 90 CG LEU A 477 0.753 -6.685 2.898 1.00 0.27 C ATOM 91 CD1 LEU A 477 -0.410 -5.871 2.364 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.052 -6.232 2.249 1.00 0.34 C ATOM 0 H LEU A 477 -0.209 -8.737 4.732 1.00 0.62 H new ATOM 0 HA LEU A 477 2.499 -7.918 4.624 1.00 0.41 H new ATOM 0 HB2 LEU A 477 -0.171 -6.475 4.815 1.00 0.33 H new ATOM 0 HB3 LEU A 477 1.350 -5.620 4.654 1.00 0.33 H new ATOM 0 HG LEU A 477 0.589 -7.734 2.652 1.00 0.27 H new ATOM 0 HD11 LEU A 477 -0.460 -5.975 1.280 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -1.339 -6.231 2.806 1.00 0.32 H new ATOM 0 HD13 LEU A 477 -0.268 -4.821 2.622 1.00 0.32 H new ATOM 0 HD21 LEU A 477 1.972 -6.333 1.167 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.241 -5.189 2.503 1.00 0.34 H new ATOM 0 HD23 LEU A 477 2.874 -6.849 2.611 1.00 0.34 H new ATOM 104 N HIS A 478 3.002 -6.615 6.726 1.00 0.41 N ATOM 105 CA HIS A 478 3.417 -6.123 8.030 1.00 0.48 C ATOM 106 C HIS A 478 3.451 -4.600 8.023 1.00 0.36 C ATOM 107 O HIS A 478 3.599 -3.982 6.968 1.00 0.30 O ATOM 108 CB HIS A 478 4.788 -6.690 8.402 1.00 0.63 C ATOM 109 CG HIS A 478 4.768 -8.157 8.711 1.00 1.07 C ATOM 110 ND1 HIS A 478 4.973 -8.660 9.976 1.00 1.59 N ATOM 111 CD2 HIS A 478 4.570 -9.232 7.911 1.00 1.83 C ATOM 112 CE1 HIS A 478 4.903 -9.977 9.942 1.00 1.99 C ATOM 113 NE2 HIS A 478 4.658 -10.350 8.700 1.00 2.14 N ATOM 0 H HIS A 478 3.652 -6.400 5.970 1.00 0.41 H new ATOM 0 HA HIS A 478 2.697 -6.454 8.778 1.00 0.48 H new ATOM 0 HB2 HIS A 478 5.481 -6.510 7.580 1.00 0.63 H new ATOM 0 HB3 HIS A 478 5.172 -6.150 9.268 1.00 0.63 H new ATOM 0 HD2 HIS A 478 4.378 -9.212 6.848 1.00 1.83 H new ATOM 0 HE1 HIS A 478 5.025 -10.638 10.787 1.00 1.99 H new ATOM 0 HE2 HIS A 478 4.552 -11.312 8.379 1.00 2.14 H new ATOM 122 N ILE A 479 3.309 -4.002 9.195 1.00 0.37 N ATOM 123 CA ILE A 479 3.225 -2.551 9.312 1.00 0.34 C ATOM 124 C ILE A 479 4.574 -1.901 9.039 1.00 0.31 C ATOM 125 O ILE A 479 5.594 -2.307 9.601 1.00 0.35 O ATOM 126 CB ILE A 479 2.748 -2.116 10.713 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.458 -2.846 11.103 1.00 0.54 C ATOM 128 CG2 ILE A 479 2.548 -0.607 10.758 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.302 -2.613 10.154 1.00 0.56 C ATOM 0 H ILE A 479 3.249 -4.499 10.083 1.00 0.37 H new ATOM 0 HA ILE A 479 2.498 -2.223 8.569 1.00 0.34 H new ATOM 0 HB ILE A 479 3.517 -2.386 11.437 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.661 -3.916 11.155 1.00 0.54 H new ATOM 0 HG13 ILE A 479 1.162 -2.529 12.103 1.00 0.54 H new ATOM 0 HG21 ILE A 479 2.211 -0.314 11.752 1.00 0.51 H new ATOM 0 HG22 ILE A 479 3.491 -0.108 10.532 1.00 0.51 H new ATOM 0 HG23 ILE A 479 1.799 -0.317 10.021 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.571 -3.165 10.502 1.00 0.56 H new ATOM 0 HD12 ILE A 479 0.069 -1.549 10.119 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.575 -2.958 9.157 1.00 0.56 H new ATOM 141 N GLY A 480 4.571 -0.893 8.177 1.00 0.30 N ATOM 142 CA GLY A 480 5.786 -0.169 7.878 1.00 0.38 C ATOM 143 C GLY A 480 6.562 -0.803 6.745 1.00 0.41 C ATOM 144 O GLY A 480 7.685 -0.390 6.437 1.00 0.63 O ATOM 0 H GLY A 480 3.744 -0.564 7.679 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.539 0.860 7.617 1.00 0.38 H new ATOM 0 HA3 GLY A 480 6.413 -0.130 8.769 1.00 0.38 H new ATOM 148 N GLN A 481 5.959 -1.798 6.109 1.00 0.28 N ATOM 149 CA GLN A 481 6.618 -2.514 5.032 1.00 0.35 C ATOM 150 C GLN A 481 6.518 -1.746 3.728 1.00 0.30 C ATOM 151 O GLN A 481 5.498 -1.119 3.435 1.00 0.30 O ATOM 152 CB GLN A 481 6.025 -3.911 4.862 1.00 0.42 C ATOM 153 CG GLN A 481 6.572 -4.920 5.854 1.00 1.02 C ATOM 154 CD GLN A 481 8.069 -5.094 5.729 1.00 1.43 C ATOM 155 OE1 GLN A 481 8.846 -4.418 6.404 1.00 2.34 O ATOM 156 NE2 GLN A 481 8.484 -6.001 4.862 1.00 1.79 N ATOM 0 H GLN A 481 5.017 -2.125 6.322 1.00 0.28 H new ATOM 0 HA GLN A 481 7.671 -2.612 5.298 1.00 0.35 H new ATOM 0 HB2 GLN A 481 4.942 -3.854 4.972 1.00 0.42 H new ATOM 0 HB3 GLN A 481 6.225 -4.262 3.850 1.00 0.42 H new ATOM 0 HG2 GLN A 481 6.329 -4.599 6.867 1.00 1.02 H new ATOM 0 HG3 GLN A 481 6.082 -5.881 5.698 1.00 1.02 H new ATOM 0 HE21 GLN A 481 7.806 -6.539 4.323 1.00 1.79 H new ATOM 0 HE22 GLN A 481 9.483 -6.163 4.732 1.00 1.79 H new ATOM 165 N PRO A 482 7.592 -1.771 2.939 1.00 0.33 N ATOM 166 CA PRO A 482 7.629 -1.108 1.645 1.00 0.30 C ATOM 167 C PRO A 482 6.969 -1.942 0.554 1.00 0.28 C ATOM 168 O PRO A 482 7.378 -3.073 0.273 1.00 0.33 O ATOM 169 CB PRO A 482 9.123 -0.960 1.384 1.00 0.34 C ATOM 170 CG PRO A 482 9.751 -2.118 2.082 1.00 0.40 C ATOM 171 CD PRO A 482 8.865 -2.447 3.257 1.00 0.43 C ATOM 0 HA PRO A 482 7.085 -0.163 1.643 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.341 -0.977 0.316 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.500 -0.013 1.771 1.00 0.34 H new ATOM 0 HG2 PRO A 482 9.838 -2.973 1.412 1.00 0.40 H new ATOM 0 HG3 PRO A 482 10.759 -1.869 2.415 1.00 0.40 H new ATOM 0 HD2 PRO A 482 8.730 -3.523 3.367 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.289 -2.082 4.192 1.00 0.43 H new ATOM 179 N VAL A 483 5.954 -1.372 -0.065 1.00 0.24 N ATOM 180 CA VAL A 483 5.238 -2.038 -1.137 1.00 0.24 C ATOM 181 C VAL A 483 5.018 -1.069 -2.287 1.00 0.27 C ATOM 182 O VAL A 483 4.827 0.129 -2.073 1.00 0.39 O ATOM 183 CB VAL A 483 3.878 -2.606 -0.666 1.00 0.23 C ATOM 184 CG1 VAL A 483 4.081 -3.788 0.271 1.00 0.29 C ATOM 185 CG2 VAL A 483 3.046 -1.531 0.013 1.00 0.25 C ATOM 0 H VAL A 483 5.604 -0.440 0.158 1.00 0.24 H new ATOM 0 HA VAL A 483 5.849 -2.878 -1.467 1.00 0.24 H new ATOM 0 HB VAL A 483 3.338 -2.952 -1.547 1.00 0.23 H new ATOM 0 HG11 VAL A 483 3.111 -4.171 0.589 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.629 -4.574 -0.249 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.649 -3.467 1.144 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.095 -1.956 0.335 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.584 -1.148 0.880 1.00 0.25 H new ATOM 0 HG23 VAL A 483 2.861 -0.717 -0.688 1.00 0.25 H new ATOM 195 N VAL A 484 5.073 -1.577 -3.501 1.00 0.28 N ATOM 196 CA VAL A 484 4.895 -0.746 -4.669 1.00 0.31 C ATOM 197 C VAL A 484 3.481 -0.857 -5.208 1.00 0.28 C ATOM 198 O VAL A 484 2.908 -1.945 -5.313 1.00 0.29 O ATOM 199 CB VAL A 484 5.907 -1.077 -5.786 1.00 0.35 C ATOM 200 CG1 VAL A 484 7.322 -0.835 -5.303 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.744 -2.500 -6.275 1.00 0.31 C ATOM 0 H VAL A 484 5.240 -2.563 -3.702 1.00 0.28 H new ATOM 0 HA VAL A 484 5.077 0.280 -4.348 1.00 0.31 H new ATOM 0 HB VAL A 484 5.707 -0.415 -6.628 1.00 0.35 H new ATOM 0 HG11 VAL A 484 8.025 -1.073 -6.102 1.00 0.42 H new ATOM 0 HG12 VAL A 484 7.436 0.211 -5.019 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.525 -1.469 -4.440 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.472 -2.700 -7.061 1.00 0.31 H new ATOM 0 HG22 VAL A 484 5.905 -3.190 -5.447 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.737 -2.636 -6.670 1.00 0.31 H new ATOM 211 N HIS A 485 2.922 0.287 -5.521 1.00 0.34 N ATOM 212 CA HIS A 485 1.610 0.367 -6.121 1.00 0.29 C ATOM 213 C HIS A 485 1.787 0.645 -7.600 1.00 0.24 C ATOM 214 O HIS A 485 2.288 1.699 -7.967 1.00 0.29 O ATOM 215 CB HIS A 485 0.799 1.485 -5.458 1.00 0.36 C ATOM 216 CG HIS A 485 -0.667 1.480 -5.783 1.00 0.52 C ATOM 217 ND1 HIS A 485 -1.471 2.584 -5.627 1.00 1.09 N ATOM 218 CD2 HIS A 485 -1.479 0.492 -6.232 1.00 0.41 C ATOM 219 CE1 HIS A 485 -2.708 2.277 -5.961 1.00 1.19 C ATOM 220 NE2 HIS A 485 -2.743 1.015 -6.335 1.00 0.73 N ATOM 0 H HIS A 485 3.365 1.193 -5.367 1.00 0.34 H new ATOM 0 HA HIS A 485 1.069 -0.569 -5.981 1.00 0.29 H new ATOM 0 HB2 HIS A 485 0.917 1.408 -4.377 1.00 0.36 H new ATOM 0 HB3 HIS A 485 1.219 2.445 -5.757 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -1.185 -0.521 -6.466 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -3.553 2.949 -5.933 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -3.572 0.510 -6.649 1.00 0.73 H new ATOM 229 N LEU A 486 1.374 -0.301 -8.433 1.00 0.23 N ATOM 230 CA LEU A 486 1.589 -0.227 -9.883 1.00 0.30 C ATOM 231 C LEU A 486 1.073 1.090 -10.483 1.00 0.38 C ATOM 232 O LEU A 486 1.475 1.483 -11.578 1.00 0.52 O ATOM 233 CB LEU A 486 0.959 -1.459 -10.579 1.00 0.32 C ATOM 234 CG LEU A 486 -0.583 -1.519 -10.721 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.295 -1.112 -9.440 1.00 0.37 C ATOM 236 CD2 LEU A 486 -1.064 -0.682 -11.896 1.00 0.48 C ATOM 0 H LEU A 486 0.881 -1.141 -8.130 1.00 0.23 H new ATOM 0 HA LEU A 486 2.664 -0.241 -10.062 1.00 0.30 H new ATOM 0 HB2 LEU A 486 1.387 -1.530 -11.579 1.00 0.32 H new ATOM 0 HB3 LEU A 486 1.277 -2.347 -10.033 1.00 0.32 H new ATOM 0 HG LEU A 486 -0.839 -2.560 -10.917 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -2.373 -1.170 -9.589 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -1.004 -1.784 -8.633 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -1.019 -0.090 -9.179 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -2.150 -0.746 -11.968 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -0.770 0.357 -11.747 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -0.617 -1.057 -12.817 1.00 0.48 H new ATOM 248 N GLU A 487 0.201 1.769 -9.753 1.00 0.38 N ATOM 249 CA GLU A 487 -0.371 3.024 -10.205 1.00 0.54 C ATOM 250 C GLU A 487 0.539 4.209 -9.878 1.00 0.55 C ATOM 251 O GLU A 487 0.760 5.072 -10.723 1.00 0.69 O ATOM 252 CB GLU A 487 -1.750 3.211 -9.573 1.00 0.64 C ATOM 253 CG GLU A 487 -2.762 2.185 -10.059 1.00 0.76 C ATOM 254 CD GLU A 487 -4.002 2.113 -9.196 1.00 1.47 C ATOM 255 OE1 GLU A 487 -4.219 1.060 -8.556 1.00 2.37 O ATOM 256 OE2 GLU A 487 -4.763 3.098 -9.146 1.00 1.85 O ATOM 0 H GLU A 487 -0.127 1.466 -8.836 1.00 0.38 H new ATOM 0 HA GLU A 487 -0.471 2.987 -11.290 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -1.661 3.142 -8.489 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -2.116 4.212 -9.800 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -3.053 2.427 -11.081 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -2.289 1.203 -10.086 1.00 0.76 H new ATOM 263 N HIS A 488 1.081 4.254 -8.661 1.00 0.44 N ATOM 264 CA HIS A 488 1.882 5.417 -8.256 1.00 0.48 C ATOM 265 C HIS A 488 3.338 5.082 -7.921 1.00 0.42 C ATOM 266 O HIS A 488 4.239 5.841 -8.271 1.00 0.52 O ATOM 267 CB HIS A 488 1.227 6.158 -7.090 1.00 0.53 C ATOM 268 CG HIS A 488 0.428 7.347 -7.532 1.00 0.71 C ATOM 269 ND1 HIS A 488 0.872 8.643 -7.393 1.00 1.44 N ATOM 270 CD2 HIS A 488 -0.786 7.431 -8.125 1.00 1.14 C ATOM 271 CE1 HIS A 488 -0.035 9.471 -7.877 1.00 1.39 C ATOM 272 NE2 HIS A 488 -1.051 8.761 -8.331 1.00 1.12 N ATOM 0 H HIS A 488 0.987 3.524 -7.955 1.00 0.44 H new ATOM 0 HA HIS A 488 1.910 6.068 -9.130 1.00 0.48 H new ATOM 0 HB2 HIS A 488 0.577 5.471 -6.548 1.00 0.53 H new ATOM 0 HB3 HIS A 488 1.999 6.484 -6.393 1.00 0.53 H new ATOM 0 HD2 HIS A 488 -1.428 6.603 -8.388 1.00 1.14 H new ATOM 0 HE1 HIS A 488 0.041 10.548 -7.898 1.00 1.39 H new ATOM 0 HE2 HIS A 488 -1.894 9.139 -8.764 1.00 1.12 H new ATOM 281 N GLY A 489 3.583 3.968 -7.245 1.00 0.37 N ATOM 282 CA GLY A 489 4.955 3.595 -6.948 1.00 0.39 C ATOM 283 C GLY A 489 5.154 3.116 -5.525 1.00 0.29 C ATOM 284 O GLY A 489 4.212 2.646 -4.886 1.00 0.25 O ATOM 0 H GLY A 489 2.871 3.324 -6.901 1.00 0.37 H new ATOM 0 HA2 GLY A 489 5.267 2.808 -7.635 1.00 0.39 H new ATOM 0 HA3 GLY A 489 5.604 4.452 -7.129 1.00 0.39 H new ATOM 288 N VAL A 490 6.387 3.240 -5.036 1.00 0.30 N ATOM 289 CA VAL A 490 6.763 2.745 -3.711 1.00 0.27 C ATOM 290 C VAL A 490 6.069 3.522 -2.595 1.00 0.21 C ATOM 291 O VAL A 490 5.997 4.754 -2.627 1.00 0.23 O ATOM 292 CB VAL A 490 8.290 2.833 -3.480 1.00 0.34 C ATOM 293 CG1 VAL A 490 8.697 2.040 -2.246 1.00 0.94 C ATOM 294 CG2 VAL A 490 9.062 2.354 -4.698 1.00 1.06 C ATOM 0 H VAL A 490 7.151 3.685 -5.544 1.00 0.30 H new ATOM 0 HA VAL A 490 6.445 1.703 -3.682 1.00 0.27 H new ATOM 0 HB VAL A 490 8.539 3.881 -3.315 1.00 0.34 H new ATOM 0 HG11 VAL A 490 9.775 2.116 -2.104 1.00 0.94 H new ATOM 0 HG12 VAL A 490 8.186 2.441 -1.371 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.422 0.994 -2.379 1.00 0.94 H new ATOM 0 HG21 VAL A 490 10.132 2.429 -4.503 1.00 1.06 H new ATOM 0 HG22 VAL A 490 8.803 1.316 -4.908 1.00 1.06 H new ATOM 0 HG23 VAL A 490 8.806 2.973 -5.558 1.00 1.06 H new ATOM 304 N GLY A 491 5.571 2.789 -1.611 1.00 0.18 N ATOM 305 CA GLY A 491 4.952 3.398 -0.451 1.00 0.18 C ATOM 306 C GLY A 491 5.177 2.572 0.802 1.00 0.16 C ATOM 307 O GLY A 491 5.748 1.482 0.737 1.00 0.16 O ATOM 0 H GLY A 491 5.585 1.769 -1.596 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.358 4.399 -0.305 1.00 0.18 H new ATOM 0 HA3 GLY A 491 3.882 3.510 -0.626 1.00 0.18 H new ATOM 311 N ARG A 492 4.728 3.085 1.941 1.00 0.17 N ATOM 312 CA ARG A 492 4.874 2.380 3.207 1.00 0.17 C ATOM 313 C ARG A 492 3.527 1.911 3.721 1.00 0.14 C ATOM 314 O ARG A 492 2.627 2.714 3.969 1.00 0.18 O ATOM 315 CB ARG A 492 5.562 3.270 4.236 1.00 0.24 C ATOM 316 CG ARG A 492 7.018 3.522 3.906 1.00 0.37 C ATOM 317 CD ARG A 492 7.832 2.244 4.014 1.00 0.44 C ATOM 318 NE ARG A 492 9.209 2.426 3.567 1.00 0.98 N ATOM 319 CZ ARG A 492 10.217 1.645 3.948 1.00 1.21 C ATOM 320 NH1 ARG A 492 10.009 0.659 4.815 1.00 1.35 N ATOM 321 NH2 ARG A 492 11.436 1.856 3.471 1.00 1.93 N ATOM 0 H ARG A 492 4.259 3.988 2.013 1.00 0.17 H new ATOM 0 HA ARG A 492 5.497 1.501 3.039 1.00 0.17 H new ATOM 0 HB2 ARG A 492 5.037 4.223 4.296 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.491 2.804 5.219 1.00 0.24 H new ATOM 0 HG2 ARG A 492 7.101 3.925 2.897 1.00 0.37 H new ATOM 0 HG3 ARG A 492 7.423 4.273 4.584 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.830 1.901 5.049 1.00 0.44 H new ATOM 0 HD3 ARG A 492 7.359 1.463 3.419 1.00 0.44 H new ATOM 0 HE ARG A 492 9.410 3.194 2.927 1.00 0.98 H new ATOM 0 HH11 ARG A 492 9.074 0.499 5.191 1.00 1.35 H new ATOM 0 HH12 ARG A 492 10.784 0.063 5.105 1.00 1.35 H new ATOM 0 HH21 ARG A 492 11.601 2.617 2.812 1.00 1.93 H new ATOM 0 HH22 ARG A 492 12.209 1.257 3.763 1.00 1.93 H new ATOM 335 N TYR A 493 3.394 0.604 3.850 1.00 0.15 N ATOM 336 CA TYR A 493 2.145 -0.018 4.251 1.00 0.14 C ATOM 337 C TYR A 493 1.801 0.315 5.694 1.00 0.14 C ATOM 338 O TYR A 493 2.647 0.202 6.582 1.00 0.15 O ATOM 339 CB TYR A 493 2.259 -1.532 4.092 1.00 0.15 C ATOM 340 CG TYR A 493 0.999 -2.278 4.445 1.00 0.15 C ATOM 341 CD1 TYR A 493 -0.096 -2.278 3.592 1.00 1.14 C ATOM 342 CD2 TYR A 493 0.909 -2.992 5.631 1.00 1.21 C ATOM 343 CE1 TYR A 493 -1.247 -2.969 3.915 1.00 1.15 C ATOM 344 CE2 TYR A 493 -0.235 -3.683 5.962 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.310 -3.672 5.104 1.00 0.19 C ATOM 346 OH TYR A 493 -2.448 -4.371 5.434 1.00 0.23 O ATOM 0 H TYR A 493 4.151 -0.058 3.679 1.00 0.15 H new ATOM 0 HA TYR A 493 1.350 0.368 3.613 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.528 -1.760 3.061 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.072 -1.894 4.721 1.00 0.15 H new ATOM 0 HD1 TYR A 493 -0.047 -1.730 2.663 1.00 1.14 H new ATOM 0 HD2 TYR A 493 1.751 -3.006 6.307 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -2.093 -2.960 3.243 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -0.288 -4.231 6.891 1.00 1.21 H new ATOM 0 HH TYR A 493 -2.323 -4.808 6.302 1.00 0.23 H new ATOM 356 N ALA A 494 0.560 0.710 5.933 1.00 0.18 N ATOM 357 CA ALA A 494 0.113 0.974 7.290 1.00 0.21 C ATOM 358 C ALA A 494 -1.275 0.408 7.531 1.00 0.21 C ATOM 359 O ALA A 494 -2.275 1.056 7.244 1.00 0.22 O ATOM 360 CB ALA A 494 0.113 2.467 7.570 1.00 0.25 C ATOM 0 H ALA A 494 -0.148 0.853 5.213 1.00 0.18 H new ATOM 0 HA ALA A 494 0.810 0.482 7.969 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.225 2.646 8.591 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.122 2.860 7.447 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.559 2.968 6.873 1.00 0.25 H new ATOM 366 N GLY A 495 -1.314 -0.787 8.102 1.00 0.22 N ATOM 367 CA GLY A 495 -2.567 -1.413 8.484 1.00 0.23 C ATOM 368 C GLY A 495 -3.587 -1.496 7.366 1.00 0.21 C ATOM 369 O GLY A 495 -3.251 -1.478 6.180 1.00 0.21 O ATOM 0 H GLY A 495 -0.485 -1.344 8.311 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.361 -2.420 8.848 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -3.000 -0.856 9.315 1.00 0.23 H new ATOM 373 N MET A 496 -4.842 -1.586 7.760 1.00 0.22 N ATOM 374 CA MET A 496 -5.948 -1.681 6.821 1.00 0.21 C ATOM 375 C MET A 496 -7.132 -0.887 7.321 1.00 0.22 C ATOM 376 O MET A 496 -7.357 -0.763 8.528 1.00 0.27 O ATOM 377 CB MET A 496 -6.371 -3.133 6.588 1.00 0.23 C ATOM 378 CG MET A 496 -5.552 -3.838 5.521 1.00 0.22 C ATOM 379 SD MET A 496 -5.928 -5.599 5.384 1.00 0.33 S ATOM 380 CE MET A 496 -7.656 -5.544 4.913 1.00 1.68 C ATOM 0 H MET A 496 -5.126 -1.596 8.740 1.00 0.22 H new ATOM 0 HA MET A 496 -5.603 -1.269 5.872 1.00 0.21 H new ATOM 0 HB2 MET A 496 -6.284 -3.683 7.525 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.423 -3.155 6.302 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.731 -3.359 4.559 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.492 -3.716 5.745 1.00 0.22 H new ATOM 0 HE1 MET A 496 -7.961 -6.520 4.535 1.00 1.68 H new ATOM 0 HE2 MET A 496 -8.262 -5.286 5.782 1.00 1.68 H new ATOM 0 HE3 MET A 496 -7.798 -4.793 4.136 1.00 1.68 H new ATOM 390 N THR A 497 -7.892 -0.365 6.391 1.00 0.20 N ATOM 391 CA THR A 497 -9.036 0.451 6.716 1.00 0.22 C ATOM 392 C THR A 497 -10.252 0.001 5.916 1.00 0.22 C ATOM 393 O THR A 497 -10.161 -0.258 4.719 1.00 0.20 O ATOM 394 CB THR A 497 -8.740 1.946 6.455 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.883 2.752 6.774 1.00 0.31 O ATOM 396 CG2 THR A 497 -8.327 2.186 5.008 1.00 0.24 C ATOM 0 H THR A 497 -7.737 -0.493 5.391 1.00 0.20 H new ATOM 0 HA THR A 497 -9.251 0.329 7.778 1.00 0.22 H new ATOM 0 HB THR A 497 -7.910 2.232 7.101 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.676 3.695 6.604 1.00 0.31 H new ATOM 0 HG21 THR A 497 -8.126 3.247 4.858 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.428 1.612 4.786 1.00 0.24 H new ATOM 0 HG23 THR A 497 -9.131 1.872 4.343 1.00 0.24 H new ATOM 404 N THR A 498 -11.380 -0.116 6.577 1.00 0.28 N ATOM 405 CA THR A 498 -12.608 -0.444 5.890 1.00 0.29 C ATOM 406 C THR A 498 -13.341 0.838 5.531 1.00 0.29 C ATOM 407 O THR A 498 -13.504 1.724 6.372 1.00 0.36 O ATOM 408 CB THR A 498 -13.507 -1.345 6.753 1.00 0.36 C ATOM 409 OG1 THR A 498 -12.944 -1.473 8.068 1.00 0.84 O ATOM 410 CG2 THR A 498 -13.659 -2.720 6.124 1.00 0.67 C ATOM 0 H THR A 498 -11.473 0.010 7.585 1.00 0.28 H new ATOM 0 HA THR A 498 -12.362 -0.994 4.982 1.00 0.29 H new ATOM 0 HB THR A 498 -14.493 -0.886 6.820 1.00 0.36 H new ATOM 0 HG1 THR A 498 -13.051 -0.628 8.553 1.00 0.84 H new ATOM 0 HG21 THR A 498 -14.299 -3.339 6.753 1.00 0.67 H new ATOM 0 HG22 THR A 498 -14.108 -2.620 5.136 1.00 0.67 H new ATOM 0 HG23 THR A 498 -12.679 -3.188 6.032 1.00 0.67 H new ATOM 418 N LEU A 499 -13.748 0.957 4.282 1.00 0.27 N ATOM 419 CA LEU A 499 -14.403 2.165 3.821 1.00 0.31 C ATOM 420 C LEU A 499 -15.862 1.884 3.510 1.00 0.34 C ATOM 421 O LEU A 499 -16.189 0.917 2.813 1.00 0.39 O ATOM 422 CB LEU A 499 -13.694 2.733 2.587 1.00 0.32 C ATOM 423 CG LEU A 499 -12.221 3.113 2.787 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.649 3.711 1.511 1.00 0.34 C ATOM 425 CD2 LEU A 499 -12.067 4.088 3.946 1.00 0.39 C ATOM 0 H LEU A 499 -13.637 0.234 3.571 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.350 2.909 4.616 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.756 1.998 1.784 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.237 3.617 2.253 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.664 2.207 3.027 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.603 3.975 1.670 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.721 2.982 0.704 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -12.212 4.605 1.244 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -11.015 4.343 4.069 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -12.638 4.993 3.739 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -12.438 3.627 4.861 1.00 0.39 H new ATOM 437 N GLU A 500 -16.736 2.711 4.054 1.00 0.54 N ATOM 438 CA GLU A 500 -18.159 2.575 3.816 1.00 0.62 C ATOM 439 C GLU A 500 -18.632 3.690 2.898 1.00 0.79 C ATOM 440 O GLU A 500 -18.381 4.868 3.156 1.00 0.99 O ATOM 441 CB GLU A 500 -18.957 2.612 5.125 1.00 0.80 C ATOM 442 CG GLU A 500 -18.687 1.451 6.075 1.00 1.25 C ATOM 443 CD GLU A 500 -17.365 1.568 6.809 1.00 1.63 C ATOM 444 OE1 GLU A 500 -17.160 2.580 7.513 1.00 2.04 O ATOM 445 OE2 GLU A 500 -16.538 0.637 6.713 1.00 2.21 O ATOM 0 H GLU A 500 -16.483 3.487 4.666 1.00 0.54 H new ATOM 0 HA GLU A 500 -18.330 1.607 3.346 1.00 0.62 H new ATOM 0 HB2 GLU A 500 -18.735 3.545 5.643 1.00 0.80 H new ATOM 0 HB3 GLU A 500 -20.020 2.626 4.885 1.00 0.80 H new ATOM 0 HG2 GLU A 500 -19.495 1.393 6.804 1.00 1.25 H new ATOM 0 HG3 GLU A 500 -18.699 0.519 5.510 1.00 1.25 H new ATOM 452 N ALA A 501 -19.309 3.316 1.831 1.00 0.93 N ATOM 453 CA ALA A 501 -19.803 4.273 0.861 1.00 1.17 C ATOM 454 C ALA A 501 -21.234 3.938 0.484 1.00 1.28 C ATOM 455 O ALA A 501 -21.695 2.817 0.710 1.00 1.32 O ATOM 456 CB ALA A 501 -18.918 4.259 -0.373 1.00 1.29 C ATOM 0 H ALA A 501 -19.532 2.345 1.612 1.00 0.93 H new ATOM 0 HA ALA A 501 -19.781 5.270 1.300 1.00 1.17 H new ATOM 0 HB1 ALA A 501 -19.294 4.980 -1.099 1.00 1.29 H new ATOM 0 HB2 ALA A 501 -17.899 4.524 -0.093 1.00 1.29 H new ATOM 0 HB3 ALA A 501 -18.925 3.263 -0.815 1.00 1.29 H new ATOM 462 N GLY A 502 -21.936 4.910 -0.078 1.00 1.50 N ATOM 463 CA GLY A 502 -23.295 4.686 -0.518 1.00 1.65 C ATOM 464 C GLY A 502 -23.343 3.869 -1.791 1.00 1.94 C ATOM 465 O GLY A 502 -23.525 4.412 -2.879 1.00 2.51 O ATOM 0 H GLY A 502 -21.586 5.855 -0.237 1.00 1.50 H new ATOM 0 HA2 GLY A 502 -23.851 4.172 0.266 1.00 1.65 H new ATOM 0 HA3 GLY A 502 -23.787 5.645 -0.682 1.00 1.65 H new ATOM 469 N GLY A 503 -23.150 2.567 -1.660 1.00 1.76 N ATOM 470 CA GLY A 503 -23.159 1.697 -2.815 1.00 2.10 C ATOM 471 C GLY A 503 -21.995 0.731 -2.807 1.00 1.94 C ATOM 472 O GLY A 503 -22.157 -0.450 -3.109 1.00 2.03 O ATOM 0 H GLY A 503 -22.987 2.096 -0.770 1.00 1.76 H new ATOM 0 HA2 GLY A 503 -24.094 1.137 -2.840 1.00 2.10 H new ATOM 0 HA3 GLY A 503 -23.124 2.299 -3.723 1.00 2.10 H new ATOM 476 N ILE A 504 -20.815 1.229 -2.456 1.00 1.77 N ATOM 477 CA ILE A 504 -19.618 0.397 -2.418 1.00 1.65 C ATOM 478 C ILE A 504 -19.045 0.342 -1.009 1.00 1.24 C ATOM 479 O ILE A 504 -18.495 1.320 -0.512 1.00 1.16 O ATOM 480 CB ILE A 504 -18.532 0.926 -3.384 1.00 1.91 C ATOM 481 CG1 ILE A 504 -19.079 1.024 -4.812 1.00 2.34 C ATOM 482 CG2 ILE A 504 -17.297 0.030 -3.349 1.00 1.84 C ATOM 483 CD1 ILE A 504 -19.554 -0.297 -5.376 1.00 2.42 C ATOM 0 H ILE A 504 -20.661 2.203 -2.194 1.00 1.77 H new ATOM 0 HA ILE A 504 -19.912 -0.604 -2.732 1.00 1.65 H new ATOM 0 HB ILE A 504 -18.244 1.925 -3.056 1.00 1.91 H new ATOM 0 HG12 ILE A 504 -19.907 1.733 -4.826 1.00 2.34 H new ATOM 0 HG13 ILE A 504 -18.302 1.428 -5.462 1.00 2.34 H new ATOM 0 HG21 ILE A 504 -16.545 0.420 -4.035 1.00 1.84 H new ATOM 0 HG22 ILE A 504 -16.890 0.011 -2.338 1.00 1.84 H new ATOM 0 HG23 ILE A 504 -17.572 -0.981 -3.649 1.00 1.84 H new ATOM 0 HD11 ILE A 504 -19.927 -0.147 -6.389 1.00 2.42 H new ATOM 0 HD12 ILE A 504 -18.724 -1.004 -5.395 1.00 2.42 H new ATOM 0 HD13 ILE A 504 -20.354 -0.693 -4.750 1.00 2.42 H new ATOM 495 N THR A 505 -19.194 -0.794 -0.358 1.00 1.06 N ATOM 496 CA THR A 505 -18.608 -0.997 0.956 1.00 0.72 C ATOM 497 C THR A 505 -17.668 -2.195 0.923 1.00 0.65 C ATOM 498 O THR A 505 -18.065 -3.285 0.498 1.00 0.91 O ATOM 499 CB THR A 505 -19.693 -1.218 2.030 1.00 0.78 C ATOM 500 OG1 THR A 505 -20.486 -2.369 1.703 1.00 1.05 O ATOM 501 CG2 THR A 505 -20.597 -0.002 2.156 1.00 0.91 C ATOM 0 H THR A 505 -19.716 -1.593 -0.716 1.00 1.06 H new ATOM 0 HA THR A 505 -18.051 -0.098 1.218 1.00 0.72 H new ATOM 0 HB THR A 505 -19.190 -1.378 2.984 1.00 0.78 H new ATOM 0 HG1 THR A 505 -19.906 -3.078 1.355 1.00 1.05 H new ATOM 0 HG21 THR A 505 -21.352 -0.187 2.920 1.00 0.91 H new ATOM 0 HG22 THR A 505 -20.001 0.867 2.437 1.00 0.91 H new ATOM 0 HG23 THR A 505 -21.087 0.188 1.201 1.00 0.91 H new ATOM 509 N GLY A 506 -16.429 -2.008 1.353 1.00 0.48 N ATOM 510 CA GLY A 506 -15.476 -3.097 1.296 1.00 0.58 C ATOM 511 C GLY A 506 -14.266 -2.885 2.178 1.00 0.45 C ATOM 512 O GLY A 506 -14.181 -1.897 2.912 1.00 0.43 O ATOM 0 H GLY A 506 -16.069 -1.134 1.736 1.00 0.48 H new ATOM 0 HA2 GLY A 506 -15.974 -4.021 1.591 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -15.146 -3.228 0.265 1.00 0.58 H new ATOM 516 N GLU A 507 -13.329 -3.820 2.093 1.00 0.41 N ATOM 517 CA GLU A 507 -12.098 -3.770 2.866 1.00 0.34 C ATOM 518 C GLU A 507 -10.987 -3.151 2.031 1.00 0.27 C ATOM 519 O GLU A 507 -10.824 -3.488 0.855 1.00 0.30 O ATOM 520 CB GLU A 507 -11.691 -5.177 3.293 1.00 0.42 C ATOM 521 CG GLU A 507 -12.743 -5.898 4.120 1.00 0.56 C ATOM 522 CD GLU A 507 -12.335 -7.314 4.467 1.00 0.78 C ATOM 523 OE1 GLU A 507 -12.789 -8.256 3.783 1.00 1.27 O ATOM 524 OE2 GLU A 507 -11.554 -7.494 5.423 1.00 1.63 O ATOM 0 H GLU A 507 -13.403 -4.635 1.485 1.00 0.41 H new ATOM 0 HA GLU A 507 -12.265 -3.160 3.754 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -11.475 -5.768 2.403 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -10.767 -5.118 3.869 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -12.924 -5.340 5.039 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -13.683 -5.919 3.569 1.00 0.56 H new ATOM 531 N TYR A 508 -10.225 -2.250 2.629 1.00 0.21 N ATOM 532 CA TYR A 508 -9.191 -1.540 1.898 1.00 0.17 C ATOM 533 C TYR A 508 -7.882 -1.511 2.652 1.00 0.15 C ATOM 534 O TYR A 508 -7.828 -1.494 3.882 1.00 0.21 O ATOM 535 CB TYR A 508 -9.643 -0.113 1.576 1.00 0.19 C ATOM 536 CG TYR A 508 -10.833 -0.061 0.647 1.00 0.26 C ATOM 537 CD1 TYR A 508 -12.123 -0.180 1.140 1.00 1.05 C ATOM 538 CD2 TYR A 508 -10.663 0.086 -0.721 1.00 1.38 C ATOM 539 CE1 TYR A 508 -13.213 -0.155 0.297 1.00 1.02 C ATOM 540 CE2 TYR A 508 -11.751 0.116 -1.573 1.00 1.45 C ATOM 541 CZ TYR A 508 -13.023 -0.006 -1.057 1.00 0.45 C ATOM 542 OH TYR A 508 -14.108 0.017 -1.899 1.00 0.54 O ATOM 0 H TYR A 508 -10.303 -1.995 3.613 1.00 0.21 H new ATOM 0 HA TYR A 508 -9.025 -2.083 0.967 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.892 0.400 2.505 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.813 0.431 1.124 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -12.277 -0.294 2.203 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -9.666 0.178 -1.127 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -14.211 -0.252 0.698 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -11.605 0.234 -2.637 1.00 1.45 H new ATOM 0 HH TYR A 508 -13.802 0.130 -2.823 1.00 0.54 H new ATOM 552 N LEU A 509 -6.834 -1.538 1.873 1.00 0.19 N ATOM 553 CA LEU A 509 -5.486 -1.426 2.347 1.00 0.26 C ATOM 554 C LEU A 509 -5.159 0.037 2.599 1.00 0.21 C ATOM 555 O LEU A 509 -5.583 0.909 1.839 1.00 0.19 O ATOM 556 CB LEU A 509 -4.584 -2.043 1.274 1.00 0.43 C ATOM 557 CG LEU A 509 -3.109 -1.670 1.295 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.327 -2.747 0.575 1.00 0.98 C ATOM 559 CD2 LEU A 509 -2.876 -0.332 0.614 1.00 1.06 C ATOM 0 H LEU A 509 -6.900 -1.642 0.860 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.337 -1.951 3.291 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -4.658 -3.127 1.356 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -4.986 -1.769 0.299 1.00 0.43 H new ATOM 0 HG LEU A 509 -2.779 -1.586 2.330 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -1.267 -2.493 0.582 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -2.475 -3.702 1.079 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.675 -2.822 -0.455 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -1.814 -0.089 0.643 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -3.207 -0.389 -0.423 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.440 0.443 1.133 1.00 1.06 H new ATOM 571 N MET A 510 -4.417 0.307 3.660 1.00 0.22 N ATOM 572 CA MET A 510 -4.014 1.666 3.953 1.00 0.21 C ATOM 573 C MET A 510 -2.515 1.816 3.733 1.00 0.17 C ATOM 574 O MET A 510 -1.713 1.084 4.312 1.00 0.23 O ATOM 575 CB MET A 510 -4.379 2.045 5.388 1.00 0.27 C ATOM 576 CG MET A 510 -4.980 3.437 5.502 1.00 0.31 C ATOM 577 SD MET A 510 -5.243 3.959 7.209 1.00 0.50 S ATOM 578 CE MET A 510 -3.557 3.994 7.817 1.00 1.53 C ATOM 0 H MET A 510 -4.086 -0.392 4.325 1.00 0.22 H new ATOM 0 HA MET A 510 -4.545 2.339 3.280 1.00 0.21 H new ATOM 0 HB2 MET A 510 -5.088 1.316 5.781 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.486 1.989 6.011 1.00 0.27 H new ATOM 0 HG2 MET A 510 -4.322 4.152 5.007 1.00 0.31 H new ATOM 0 HG3 MET A 510 -5.932 3.460 4.971 1.00 0.31 H new ATOM 0 HE1 MET A 510 -3.421 4.862 8.462 1.00 1.53 H new ATOM 0 HE2 MET A 510 -3.356 3.085 8.384 1.00 1.53 H new ATOM 0 HE3 MET A 510 -2.868 4.056 6.975 1.00 1.53 H new ATOM 588 N LEU A 511 -2.142 2.738 2.870 1.00 0.15 N ATOM 589 CA LEU A 511 -0.741 2.976 2.570 1.00 0.13 C ATOM 590 C LEU A 511 -0.368 4.421 2.846 1.00 0.14 C ATOM 591 O LEU A 511 -1.196 5.321 2.709 1.00 0.20 O ATOM 592 CB LEU A 511 -0.448 2.625 1.112 1.00 0.17 C ATOM 593 CG LEU A 511 0.406 1.375 0.906 1.00 0.21 C ATOM 594 CD1 LEU A 511 0.091 0.718 -0.423 1.00 0.83 C ATOM 595 CD2 LEU A 511 1.874 1.737 0.955 1.00 0.69 C ATOM 0 H LEU A 511 -2.791 3.338 2.361 1.00 0.15 H new ATOM 0 HA LEU A 511 -0.139 2.338 3.217 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.395 2.489 0.590 1.00 0.17 H new ATOM 0 HB3 LEU A 511 0.055 3.471 0.645 1.00 0.17 H new ATOM 0 HG LEU A 511 0.176 0.671 1.706 1.00 0.21 H new ATOM 0 HD11 LEU A 511 0.712 -0.169 -0.546 1.00 0.83 H new ATOM 0 HD12 LEU A 511 -0.960 0.432 -0.447 1.00 0.83 H new ATOM 0 HD13 LEU A 511 0.295 1.419 -1.233 1.00 0.83 H new ATOM 0 HD21 LEU A 511 2.475 0.840 0.807 1.00 0.69 H new ATOM 0 HD22 LEU A 511 2.098 2.457 0.168 1.00 0.69 H new ATOM 0 HD23 LEU A 511 2.109 2.175 1.925 1.00 0.69 H new ATOM 607 N THR A 512 0.872 4.632 3.243 1.00 0.15 N ATOM 608 CA THR A 512 1.371 5.968 3.502 1.00 0.19 C ATOM 609 C THR A 512 2.550 6.290 2.604 1.00 0.16 C ATOM 610 O THR A 512 3.513 5.525 2.512 1.00 0.21 O ATOM 611 CB THR A 512 1.777 6.160 4.977 1.00 0.28 C ATOM 612 OG1 THR A 512 2.394 4.970 5.490 1.00 0.58 O ATOM 613 CG2 THR A 512 0.569 6.527 5.819 1.00 0.55 C ATOM 0 H THR A 512 1.556 3.890 3.394 1.00 0.15 H new ATOM 0 HA THR A 512 0.553 6.655 3.284 1.00 0.19 H new ATOM 0 HB THR A 512 2.498 6.976 5.028 1.00 0.28 H new ATOM 0 HG1 THR A 512 2.894 4.526 4.774 1.00 0.58 H new ATOM 0 HG21 THR A 512 0.875 6.658 6.857 1.00 0.55 H new ATOM 0 HG22 THR A 512 0.136 7.456 5.448 1.00 0.55 H new ATOM 0 HG23 THR A 512 -0.173 5.731 5.758 1.00 0.55 H new ATOM 621 N TYR A 513 2.456 7.414 1.926 1.00 0.16 N ATOM 622 CA TYR A 513 3.510 7.865 1.038 1.00 0.19 C ATOM 623 C TYR A 513 4.211 9.079 1.632 1.00 0.24 C ATOM 624 O TYR A 513 4.087 9.339 2.833 1.00 0.27 O ATOM 625 CB TYR A 513 2.940 8.195 -0.342 1.00 0.21 C ATOM 626 CG TYR A 513 2.696 6.985 -1.218 1.00 0.19 C ATOM 627 CD1 TYR A 513 1.857 5.955 -0.812 1.00 1.10 C ATOM 628 CD2 TYR A 513 3.302 6.881 -2.462 1.00 1.12 C ATOM 629 CE1 TYR A 513 1.635 4.858 -1.620 1.00 1.08 C ATOM 630 CE2 TYR A 513 3.085 5.787 -3.275 1.00 1.16 C ATOM 631 CZ TYR A 513 2.251 4.779 -2.851 1.00 0.24 C ATOM 632 OH TYR A 513 2.032 3.689 -3.659 1.00 0.28 O ATOM 0 H TYR A 513 1.652 8.039 1.973 1.00 0.16 H new ATOM 0 HA TYR A 513 4.240 7.063 0.924 1.00 0.19 H new ATOM 0 HB2 TYR A 513 2.001 8.733 -0.216 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.627 8.868 -0.855 1.00 0.21 H new ATOM 0 HD1 TYR A 513 1.371 6.013 0.151 1.00 1.10 H new ATOM 0 HD2 TYR A 513 3.956 7.671 -2.800 1.00 1.12 H new ATOM 0 HE1 TYR A 513 0.981 4.065 -1.289 1.00 1.08 H new ATOM 0 HE2 TYR A 513 3.568 5.723 -4.239 1.00 1.16 H new ATOM 0 HH TYR A 513 2.872 3.429 -4.092 1.00 0.28 H new ATOM 642 N ALA A 514 4.944 9.814 0.804 1.00 0.28 N ATOM 643 CA ALA A 514 5.661 10.996 1.261 1.00 0.33 C ATOM 644 C ALA A 514 4.708 12.000 1.891 1.00 0.31 C ATOM 645 O ALA A 514 3.573 12.165 1.429 1.00 0.31 O ATOM 646 CB ALA A 514 6.410 11.647 0.112 1.00 0.43 C ATOM 0 H ALA A 514 5.057 9.611 -0.189 1.00 0.28 H new ATOM 0 HA ALA A 514 6.380 10.677 2.016 1.00 0.33 H new ATOM 0 HB1 ALA A 514 6.939 12.528 0.475 1.00 0.43 H new ATOM 0 HB2 ALA A 514 7.127 10.939 -0.303 1.00 0.43 H new ATOM 0 HB3 ALA A 514 5.702 11.942 -0.663 1.00 0.43 H new ATOM 652 N ASN A 515 5.174 12.648 2.954 1.00 0.36 N ATOM 653 CA ASN A 515 4.399 13.667 3.660 1.00 0.40 C ATOM 654 C ASN A 515 3.169 13.047 4.317 1.00 0.39 C ATOM 655 O ASN A 515 2.168 13.724 4.555 1.00 0.44 O ATOM 656 CB ASN A 515 3.986 14.805 2.714 1.00 0.43 C ATOM 657 CG ASN A 515 5.168 15.608 2.193 1.00 1.29 C ATOM 658 OD1 ASN A 515 6.267 15.083 1.994 1.00 2.26 O ATOM 659 ND2 ASN A 515 4.950 16.892 1.964 1.00 1.69 N ATOM 0 H ASN A 515 6.099 12.483 3.351 1.00 0.36 H new ATOM 0 HA ASN A 515 5.034 14.090 4.439 1.00 0.40 H new ATOM 0 HB2 ASN A 515 3.439 14.386 1.869 1.00 0.43 H new ATOM 0 HB3 ASN A 515 3.303 15.474 3.237 1.00 0.43 H new ATOM 0 HD21 ASN A 515 5.703 17.482 1.611 1.00 1.69 H new ATOM 0 HD22 ASN A 515 4.028 17.292 2.140 1.00 1.69 H new ATOM 666 N ASP A 516 3.269 11.748 4.606 1.00 0.36 N ATOM 667 CA ASP A 516 2.196 10.989 5.252 1.00 0.37 C ATOM 668 C ASP A 516 0.926 11.010 4.411 1.00 0.34 C ATOM 669 O ASP A 516 -0.180 11.145 4.938 1.00 0.41 O ATOM 670 CB ASP A 516 1.903 11.521 6.659 1.00 0.45 C ATOM 671 CG ASP A 516 3.097 11.415 7.585 1.00 0.89 C ATOM 672 OD1 ASP A 516 3.712 12.460 7.888 1.00 1.60 O ATOM 673 OD2 ASP A 516 3.436 10.288 8.007 1.00 1.62 O ATOM 0 H ASP A 516 4.098 11.191 4.398 1.00 0.36 H new ATOM 0 HA ASP A 516 2.539 9.958 5.340 1.00 0.37 H new ATOM 0 HB2 ASP A 516 1.593 12.564 6.591 1.00 0.45 H new ATOM 0 HB3 ASP A 516 1.067 10.967 7.086 1.00 0.45 H new ATOM 678 N ALA A 517 1.092 10.882 3.102 1.00 0.31 N ATOM 679 CA ALA A 517 -0.042 10.846 2.191 1.00 0.30 C ATOM 680 C ALA A 517 -0.771 9.513 2.301 1.00 0.25 C ATOM 681 O ALA A 517 -0.142 8.465 2.460 1.00 0.23 O ATOM 682 CB ALA A 517 0.416 11.093 0.764 1.00 0.32 C ATOM 0 H ALA A 517 2.002 10.801 2.648 1.00 0.31 H new ATOM 0 HA ALA A 517 -0.736 11.639 2.469 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.444 11.063 0.095 1.00 0.32 H new ATOM 0 HB2 ALA A 517 0.892 12.071 0.699 1.00 0.32 H new ATOM 0 HB3 ALA A 517 1.129 10.322 0.472 1.00 0.32 H new ATOM 688 N LYS A 518 -2.092 9.560 2.205 1.00 0.28 N ATOM 689 CA LYS A 518 -2.922 8.389 2.448 1.00 0.28 C ATOM 690 C LYS A 518 -3.359 7.725 1.149 1.00 0.24 C ATOM 691 O LYS A 518 -4.048 8.329 0.327 1.00 0.38 O ATOM 692 CB LYS A 518 -4.151 8.793 3.261 1.00 0.41 C ATOM 693 CG LYS A 518 -3.809 9.410 4.607 1.00 0.56 C ATOM 694 CD LYS A 518 -3.319 8.368 5.601 1.00 0.64 C ATOM 695 CE LYS A 518 -4.449 7.458 6.058 1.00 0.99 C ATOM 696 NZ LYS A 518 -5.593 8.230 6.615 1.00 1.55 N ATOM 0 H LYS A 518 -2.614 10.401 1.959 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.327 7.666 3.005 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -4.742 9.504 2.683 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -4.776 7.915 3.421 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -3.042 10.172 4.472 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -4.689 9.911 5.011 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -2.531 7.770 5.144 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -2.880 8.866 6.465 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -4.793 6.856 5.217 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -4.075 6.767 6.813 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -5.992 7.720 7.429 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -5.263 9.167 6.922 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -6.324 8.343 5.884 1.00 1.55 H new ATOM 710 N LEU A 519 -2.950 6.479 0.975 1.00 0.16 N ATOM 711 CA LEU A 519 -3.373 5.676 -0.161 1.00 0.15 C ATOM 712 C LEU A 519 -4.319 4.579 0.304 1.00 0.14 C ATOM 713 O LEU A 519 -4.124 3.997 1.373 1.00 0.21 O ATOM 714 CB LEU A 519 -2.161 5.051 -0.857 1.00 0.20 C ATOM 715 CG LEU A 519 -2.494 4.039 -1.956 1.00 0.25 C ATOM 716 CD1 LEU A 519 -3.194 4.720 -3.121 1.00 0.89 C ATOM 717 CD2 LEU A 519 -1.239 3.328 -2.427 1.00 0.72 C ATOM 0 H LEU A 519 -2.318 5.997 1.614 1.00 0.16 H new ATOM 0 HA LEU A 519 -3.890 6.323 -0.870 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.559 5.849 -1.290 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.544 4.558 -0.106 1.00 0.20 H new ATOM 0 HG LEU A 519 -3.173 3.295 -1.539 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -3.421 3.982 -3.890 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -4.120 5.177 -2.772 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -2.543 5.489 -3.537 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -1.497 2.613 -3.208 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -0.534 4.059 -2.823 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -0.783 2.801 -1.589 1.00 0.72 H new ATOM 729 N TYR A 520 -5.346 4.306 -0.488 1.00 0.12 N ATOM 730 CA TYR A 520 -6.294 3.250 -0.171 1.00 0.14 C ATOM 731 C TYR A 520 -6.431 2.304 -1.355 1.00 0.16 C ATOM 732 O TYR A 520 -6.788 2.721 -2.459 1.00 0.22 O ATOM 733 CB TYR A 520 -7.657 3.842 0.201 1.00 0.19 C ATOM 734 CG TYR A 520 -7.578 4.896 1.283 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.747 6.241 0.983 1.00 0.96 C ATOM 736 CD2 TYR A 520 -7.315 4.547 2.600 1.00 1.05 C ATOM 737 CE1 TYR A 520 -7.654 7.207 1.967 1.00 0.97 C ATOM 738 CE2 TYR A 520 -7.226 5.507 3.588 1.00 1.10 C ATOM 739 CZ TYR A 520 -7.393 6.835 3.266 1.00 0.40 C ATOM 740 OH TYR A 520 -7.291 7.792 4.248 1.00 0.50 O ATOM 0 H TYR A 520 -5.543 4.803 -1.357 1.00 0.12 H new ATOM 0 HA TYR A 520 -5.921 2.691 0.687 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.111 4.278 -0.689 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.315 3.039 0.533 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -7.954 6.537 -0.035 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -7.178 3.507 2.856 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -7.786 8.250 1.718 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -7.026 5.217 4.609 1.00 1.10 H new ATOM 0 HH TYR A 520 -7.857 7.543 5.008 1.00 0.50 H new ATOM 750 N VAL A 521 -6.123 1.040 -1.126 1.00 0.17 N ATOM 751 CA VAL A 521 -6.175 0.034 -2.178 1.00 0.17 C ATOM 752 C VAL A 521 -7.179 -1.058 -1.823 1.00 0.18 C ATOM 753 O VAL A 521 -7.127 -1.622 -0.735 1.00 0.20 O ATOM 754 CB VAL A 521 -4.786 -0.608 -2.414 1.00 0.19 C ATOM 755 CG1 VAL A 521 -4.868 -1.706 -3.463 1.00 0.33 C ATOM 756 CG2 VAL A 521 -3.770 0.448 -2.828 1.00 0.28 C ATOM 0 H VAL A 521 -5.832 0.682 -0.216 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.488 0.536 -3.094 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.457 -1.056 -1.476 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -3.880 -2.142 -3.611 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.559 -2.479 -3.127 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.224 -1.285 -4.403 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -2.800 -0.023 -2.989 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.098 0.927 -3.750 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -3.683 1.197 -2.041 1.00 0.28 H new ATOM 766 N PRO A 522 -8.113 -1.363 -2.732 1.00 0.19 N ATOM 767 CA PRO A 522 -9.096 -2.425 -2.516 1.00 0.22 C ATOM 768 C PRO A 522 -8.427 -3.789 -2.433 1.00 0.20 C ATOM 769 O PRO A 522 -7.461 -4.063 -3.152 1.00 0.19 O ATOM 770 CB PRO A 522 -10.007 -2.340 -3.744 1.00 0.25 C ATOM 771 CG PRO A 522 -9.208 -1.629 -4.779 1.00 0.22 C ATOM 772 CD PRO A 522 -8.276 -0.710 -4.041 1.00 0.19 C ATOM 0 HA PRO A 522 -9.638 -2.304 -1.578 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.299 -3.333 -4.086 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -10.925 -1.799 -3.516 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -8.650 -2.337 -5.392 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -9.856 -1.066 -5.451 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.322 -0.605 -4.559 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -8.696 0.291 -3.941 1.00 0.19 H new ATOM 780 N VAL A 523 -8.942 -4.644 -1.558 1.00 0.22 N ATOM 781 CA VAL A 523 -8.350 -5.959 -1.329 1.00 0.24 C ATOM 782 C VAL A 523 -8.471 -6.860 -2.556 1.00 0.25 C ATOM 783 O VAL A 523 -7.852 -7.919 -2.618 1.00 0.32 O ATOM 784 CB VAL A 523 -8.969 -6.669 -0.107 1.00 0.29 C ATOM 785 CG1 VAL A 523 -8.580 -5.954 1.176 1.00 0.31 C ATOM 786 CG2 VAL A 523 -10.483 -6.756 -0.235 1.00 0.30 C ATOM 0 H VAL A 523 -9.770 -4.451 -0.994 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.294 -5.781 -1.128 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.576 -7.685 -0.070 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -9.025 -6.468 2.028 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -7.495 -5.955 1.278 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.941 -4.926 1.143 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -10.894 -7.261 0.639 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -10.901 -5.752 -0.304 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -10.741 -7.318 -1.133 1.00 0.30 H new ATOM 796 N SER A 524 -9.264 -6.434 -3.526 1.00 0.24 N ATOM 797 CA SER A 524 -9.408 -7.168 -4.771 1.00 0.28 C ATOM 798 C SER A 524 -8.326 -6.766 -5.776 1.00 0.28 C ATOM 799 O SER A 524 -8.199 -7.369 -6.841 1.00 0.37 O ATOM 800 CB SER A 524 -10.798 -6.921 -5.354 1.00 0.36 C ATOM 801 OG SER A 524 -11.111 -5.539 -5.346 1.00 1.34 O ATOM 0 H SER A 524 -9.819 -5.580 -3.474 1.00 0.24 H new ATOM 0 HA SER A 524 -9.289 -8.231 -4.564 1.00 0.28 H new ATOM 0 HB2 SER A 524 -10.842 -7.302 -6.374 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.542 -7.470 -4.776 1.00 0.36 H new ATOM 0 HG SER A 524 -12.005 -5.404 -5.725 1.00 1.34 H new ATOM 807 N SER A 525 -7.543 -5.750 -5.430 1.00 0.24 N ATOM 808 CA SER A 525 -6.487 -5.269 -6.311 1.00 0.25 C ATOM 809 C SER A 525 -5.109 -5.448 -5.674 1.00 0.24 C ATOM 810 O SER A 525 -4.139 -4.802 -6.072 1.00 0.27 O ATOM 811 CB SER A 525 -6.724 -3.797 -6.648 1.00 0.27 C ATOM 812 OG SER A 525 -8.019 -3.604 -7.195 1.00 0.28 O ATOM 0 H SER A 525 -7.620 -5.245 -4.547 1.00 0.24 H new ATOM 0 HA SER A 525 -6.512 -5.859 -7.227 1.00 0.25 H new ATOM 0 HB2 SER A 525 -6.611 -3.191 -5.749 1.00 0.27 H new ATOM 0 HB3 SER A 525 -5.971 -3.457 -7.358 1.00 0.27 H new ATOM 0 HG SER A 525 -8.093 -2.693 -7.547 1.00 0.28 H new ATOM 818 N LEU A 526 -5.021 -6.343 -4.695 1.00 0.25 N ATOM 819 CA LEU A 526 -3.757 -6.612 -4.014 1.00 0.26 C ATOM 820 C LEU A 526 -2.787 -7.336 -4.940 1.00 0.30 C ATOM 821 O LEU A 526 -1.579 -7.350 -4.713 1.00 0.39 O ATOM 822 CB LEU A 526 -3.991 -7.444 -2.752 1.00 0.31 C ATOM 823 CG LEU A 526 -4.833 -6.769 -1.671 1.00 0.38 C ATOM 824 CD1 LEU A 526 -4.957 -7.669 -0.451 1.00 0.51 C ATOM 825 CD2 LEU A 526 -4.232 -5.425 -1.286 1.00 0.46 C ATOM 0 H LEU A 526 -5.809 -6.894 -4.355 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.319 -5.655 -3.729 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -4.476 -8.377 -3.037 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.023 -7.706 -2.325 1.00 0.31 H new ATOM 0 HG LEU A 526 -5.832 -6.595 -2.072 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -5.560 -7.171 0.308 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -5.435 -8.606 -0.737 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -3.965 -7.875 -0.049 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -4.846 -4.959 -0.515 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -3.222 -5.574 -0.905 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -4.197 -4.778 -2.162 1.00 0.46 H new ATOM 837 N HIS A 527 -3.330 -7.938 -5.989 1.00 0.31 N ATOM 838 CA HIS A 527 -2.529 -8.628 -6.991 1.00 0.41 C ATOM 839 C HIS A 527 -1.652 -7.634 -7.750 1.00 0.44 C ATOM 840 O HIS A 527 -0.643 -8.005 -8.347 1.00 0.64 O ATOM 841 CB HIS A 527 -3.454 -9.379 -7.957 1.00 0.50 C ATOM 842 CG HIS A 527 -2.743 -10.223 -8.975 1.00 1.49 C ATOM 843 ND1 HIS A 527 -3.195 -10.374 -10.267 1.00 2.24 N ATOM 844 CD2 HIS A 527 -1.623 -10.975 -8.881 1.00 2.53 C ATOM 845 CE1 HIS A 527 -2.386 -11.182 -10.922 1.00 3.18 C ATOM 846 NE2 HIS A 527 -1.423 -11.560 -10.105 1.00 3.40 N ATOM 0 H HIS A 527 -4.334 -7.962 -6.169 1.00 0.31 H new ATOM 0 HA HIS A 527 -1.875 -9.345 -6.495 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -4.121 -10.017 -7.378 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -4.079 -8.654 -8.478 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -1.002 -11.093 -8.005 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -2.494 -11.483 -11.953 1.00 3.18 H new ATOM 0 HE2 HIS A 527 -0.654 -12.186 -10.344 1.00 3.40 H new ATOM 855 N LEU A 528 -2.034 -6.365 -7.701 1.00 0.33 N ATOM 856 CA LEU A 528 -1.317 -5.317 -8.410 1.00 0.38 C ATOM 857 C LEU A 528 -0.241 -4.692 -7.525 1.00 0.41 C ATOM 858 O LEU A 528 0.541 -3.852 -7.977 1.00 0.57 O ATOM 859 CB LEU A 528 -2.296 -4.240 -8.868 1.00 0.36 C ATOM 860 CG LEU A 528 -3.481 -4.738 -9.693 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.391 -3.580 -10.058 1.00 0.34 C ATOM 862 CD2 LEU A 528 -2.995 -5.451 -10.946 1.00 0.42 C ATOM 0 H LEU A 528 -2.843 -6.036 -7.173 1.00 0.33 H new ATOM 0 HA LEU A 528 -0.831 -5.763 -9.277 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -2.679 -3.724 -7.988 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -1.750 -3.503 -9.457 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.049 -5.449 -9.093 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.231 -3.949 -10.646 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -4.763 -3.109 -9.148 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -3.833 -2.849 -10.642 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -3.852 -5.799 -11.522 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.407 -4.762 -11.552 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.377 -6.303 -10.663 1.00 0.42 H new ATOM 874 N ILE A 529 -0.214 -5.092 -6.264 1.00 0.31 N ATOM 875 CA ILE A 529 0.786 -4.605 -5.329 1.00 0.29 C ATOM 876 C ILE A 529 1.974 -5.562 -5.289 1.00 0.31 C ATOM 877 O ILE A 529 1.812 -6.770 -5.466 1.00 0.42 O ATOM 878 CB ILE A 529 0.189 -4.472 -3.917 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.117 -3.676 -3.964 1.00 0.32 C ATOM 880 CG2 ILE A 529 1.182 -3.812 -2.965 1.00 0.33 C ATOM 881 CD1 ILE A 529 -0.927 -2.188 -4.202 1.00 0.43 C ATOM 0 H ILE A 529 -0.877 -5.756 -5.863 1.00 0.31 H new ATOM 0 HA ILE A 529 1.120 -3.623 -5.666 1.00 0.29 H new ATOM 0 HB ILE A 529 -0.025 -5.473 -3.542 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -1.749 -4.082 -4.754 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -1.651 -3.818 -3.024 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.736 -3.730 -1.974 1.00 0.33 H new ATOM 0 HG22 ILE A 529 2.087 -4.417 -2.907 1.00 0.33 H new ATOM 0 HG23 ILE A 529 1.433 -2.817 -3.334 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -1.899 -1.696 -4.222 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.322 -1.765 -3.399 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.423 -2.034 -5.156 1.00 0.43 H new ATOM 893 N SER A 530 3.161 -5.020 -5.077 1.00 0.31 N ATOM 894 CA SER A 530 4.373 -5.820 -4.990 1.00 0.37 C ATOM 895 C SER A 530 5.245 -5.350 -3.851 1.00 0.31 C ATOM 896 O SER A 530 5.446 -4.157 -3.650 1.00 0.35 O ATOM 897 CB SER A 530 5.145 -5.760 -6.310 1.00 0.45 C ATOM 898 OG SER A 530 4.595 -6.641 -7.271 1.00 0.99 O ATOM 0 H SER A 530 3.313 -4.018 -4.961 1.00 0.31 H new ATOM 0 HA SER A 530 4.087 -6.854 -4.797 1.00 0.37 H new ATOM 0 HB2 SER A 530 5.128 -4.741 -6.697 1.00 0.45 H new ATOM 0 HB3 SER A 530 6.190 -6.017 -6.134 1.00 0.45 H new ATOM 0 HG SER A 530 5.108 -6.579 -8.103 1.00 0.99 H new ATOM 904 N ARG A 531 5.734 -6.301 -3.092 1.00 0.39 N ATOM 905 CA ARG A 531 6.644 -6.018 -2.011 1.00 0.42 C ATOM 906 C ARG A 531 7.992 -5.588 -2.573 1.00 0.36 C ATOM 907 O ARG A 531 8.463 -6.148 -3.564 1.00 0.41 O ATOM 908 CB ARG A 531 6.804 -7.259 -1.142 1.00 0.57 C ATOM 909 CG ARG A 531 7.725 -7.045 0.029 1.00 0.54 C ATOM 910 CD ARG A 531 7.928 -8.323 0.821 1.00 0.95 C ATOM 911 NE ARG A 531 8.852 -8.143 1.939 1.00 1.31 N ATOM 912 CZ ARG A 531 9.058 -9.058 2.884 1.00 1.92 C ATOM 913 NH1 ARG A 531 8.417 -10.222 2.844 1.00 2.47 N ATOM 914 NH2 ARG A 531 9.916 -8.811 3.865 1.00 2.51 N ATOM 0 H ARG A 531 5.512 -7.290 -3.207 1.00 0.39 H new ATOM 0 HA ARG A 531 6.245 -5.208 -1.401 1.00 0.42 H new ATOM 0 HB2 ARG A 531 5.825 -7.567 -0.775 1.00 0.57 H new ATOM 0 HB3 ARG A 531 7.187 -8.076 -1.753 1.00 0.57 H new ATOM 0 HG2 ARG A 531 8.688 -6.680 -0.327 1.00 0.54 H new ATOM 0 HG3 ARG A 531 7.313 -6.274 0.680 1.00 0.54 H new ATOM 0 HD2 ARG A 531 6.966 -8.669 1.200 1.00 0.95 H new ATOM 0 HD3 ARG A 531 8.309 -9.101 0.159 1.00 0.95 H new ATOM 0 HE ARG A 531 9.369 -7.266 1.999 1.00 1.31 H new ATOM 0 HH11 ARG A 531 7.763 -10.418 2.086 1.00 2.47 H new ATOM 0 HH12 ARG A 531 8.579 -10.919 3.571 1.00 2.47 H new ATOM 0 HH21 ARG A 531 10.416 -7.922 3.894 1.00 2.51 H new ATOM 0 HH22 ARG A 531 10.076 -9.510 4.591 1.00 2.51 H new ATOM 928 N TYR A 532 8.593 -4.583 -1.952 1.00 0.37 N ATOM 929 CA TYR A 532 9.881 -4.074 -2.389 1.00 0.50 C ATOM 930 C TYR A 532 10.959 -5.132 -2.175 1.00 0.77 C ATOM 931 O TYR A 532 11.423 -5.341 -1.052 1.00 1.57 O ATOM 932 CB TYR A 532 10.222 -2.802 -1.614 1.00 0.57 C ATOM 933 CG TYR A 532 11.248 -1.932 -2.294 1.00 0.48 C ATOM 934 CD1 TYR A 532 10.852 -0.878 -3.101 1.00 1.43 C ATOM 935 CD2 TYR A 532 12.606 -2.163 -2.132 1.00 1.15 C ATOM 936 CE1 TYR A 532 11.781 -0.074 -3.732 1.00 1.48 C ATOM 937 CE2 TYR A 532 13.543 -1.364 -2.756 1.00 1.24 C ATOM 938 CZ TYR A 532 13.126 -0.321 -3.555 1.00 0.77 C ATOM 939 OH TYR A 532 14.060 0.472 -4.182 1.00 1.01 O ATOM 0 H TYR A 532 8.205 -4.103 -1.140 1.00 0.37 H new ATOM 0 HA TYR A 532 9.833 -3.837 -3.452 1.00 0.50 H new ATOM 0 HB2 TYR A 532 9.310 -2.223 -1.464 1.00 0.57 H new ATOM 0 HB3 TYR A 532 10.590 -3.078 -0.626 1.00 0.57 H new ATOM 0 HD1 TYR A 532 9.799 -0.682 -3.239 1.00 1.43 H new ATOM 0 HD2 TYR A 532 12.935 -2.981 -1.508 1.00 1.15 H new ATOM 0 HE1 TYR A 532 11.456 0.743 -4.360 1.00 1.48 H new ATOM 0 HE2 TYR A 532 14.597 -1.555 -2.619 1.00 1.24 H new ATOM 0 HH TYR A 532 14.960 0.163 -3.950 1.00 1.01 H new ATOM 949 N ALA A 533 11.344 -5.801 -3.252 1.00 0.88 N ATOM 950 CA ALA A 533 12.298 -6.897 -3.173 1.00 1.11 C ATOM 951 C ALA A 533 13.688 -6.463 -3.630 1.00 1.43 C ATOM 952 O ALA A 533 13.868 -5.360 -4.155 1.00 1.88 O ATOM 953 CB ALA A 533 11.813 -8.074 -4.002 1.00 1.66 C ATOM 0 H ALA A 533 11.009 -5.603 -4.195 1.00 0.88 H new ATOM 0 HA ALA A 533 12.372 -7.202 -2.129 1.00 1.11 H new ATOM 0 HB1 ALA A 533 12.535 -8.888 -3.935 1.00 1.66 H new ATOM 0 HB2 ALA A 533 10.848 -8.412 -3.624 1.00 1.66 H new ATOM 0 HB3 ALA A 533 11.707 -7.767 -5.043 1.00 1.66 H new ATOM 959 N GLY A 534 14.665 -7.337 -3.425 1.00 1.85 N ATOM 960 CA GLY A 534 16.027 -7.046 -3.824 1.00 2.51 C ATOM 961 C GLY A 534 16.951 -6.887 -2.634 1.00 2.55 C ATOM 962 O GLY A 534 18.155 -6.674 -2.793 1.00 3.23 O ATOM 0 H GLY A 534 14.536 -8.249 -2.986 1.00 1.85 H new ATOM 0 HA2 GLY A 534 16.396 -7.848 -4.463 1.00 2.51 H new ATOM 0 HA3 GLY A 534 16.042 -6.132 -4.418 1.00 2.51 H new ATOM 966 N GLY A 535 16.385 -7.001 -1.441 1.00 2.26 N ATOM 967 CA GLY A 535 17.158 -6.832 -0.228 1.00 2.32 C ATOM 968 C GLY A 535 17.395 -5.370 0.086 1.00 1.64 C ATOM 969 O GLY A 535 18.487 -4.982 0.506 1.00 1.87 O ATOM 0 H GLY A 535 15.398 -7.209 -1.292 1.00 2.26 H new ATOM 0 HA2 GLY A 535 16.636 -7.303 0.605 1.00 2.32 H new ATOM 0 HA3 GLY A 535 18.116 -7.342 -0.333 1.00 2.32 H new ATOM 973 N ALA A 536 16.370 -4.552 -0.123 1.00 1.36 N ATOM 974 CA ALA A 536 16.494 -3.115 0.072 1.00 1.04 C ATOM 975 C ALA A 536 15.211 -2.517 0.640 1.00 0.86 C ATOM 976 O ALA A 536 14.783 -1.436 0.235 1.00 0.93 O ATOM 977 CB ALA A 536 16.857 -2.441 -1.241 1.00 1.69 C ATOM 0 H ALA A 536 15.446 -4.860 -0.427 1.00 1.36 H new ATOM 0 HA ALA A 536 17.290 -2.939 0.796 1.00 1.04 H new ATOM 0 HB1 ALA A 536 16.948 -1.366 -1.085 1.00 1.69 H new ATOM 0 HB2 ALA A 536 17.806 -2.837 -1.603 1.00 1.69 H new ATOM 0 HB3 ALA A 536 16.078 -2.636 -1.978 1.00 1.69 H new ATOM 983 N GLU A 537 14.612 -3.218 1.593 1.00 0.77 N ATOM 984 CA GLU A 537 13.379 -2.763 2.228 1.00 0.79 C ATOM 985 C GLU A 537 13.638 -1.527 3.083 1.00 0.66 C ATOM 986 O GLU A 537 12.760 -0.681 3.261 1.00 0.68 O ATOM 987 CB GLU A 537 12.788 -3.884 3.085 1.00 1.03 C ATOM 988 CG GLU A 537 12.408 -5.112 2.281 1.00 1.51 C ATOM 989 CD GLU A 537 12.047 -6.299 3.147 1.00 2.08 C ATOM 990 OE1 GLU A 537 10.898 -6.370 3.624 1.00 2.73 O ATOM 991 OE2 GLU A 537 12.913 -7.182 3.335 1.00 2.51 O ATOM 0 H GLU A 537 14.961 -4.109 1.946 1.00 0.77 H new ATOM 0 HA GLU A 537 12.665 -2.497 1.449 1.00 0.79 H new ATOM 0 HB2 GLU A 537 13.511 -4.168 3.850 1.00 1.03 H new ATOM 0 HB3 GLU A 537 11.905 -3.510 3.604 1.00 1.03 H new ATOM 0 HG2 GLU A 537 11.563 -4.870 1.636 1.00 1.51 H new ATOM 0 HG3 GLU A 537 13.239 -5.384 1.630 1.00 1.51 H new ATOM 998 N GLU A 538 14.853 -1.424 3.597 1.00 0.73 N ATOM 999 CA GLU A 538 15.234 -0.305 4.446 1.00 0.90 C ATOM 1000 C GLU A 538 15.421 0.956 3.597 1.00 0.90 C ATOM 1001 O GLU A 538 14.963 2.036 3.964 1.00 1.09 O ATOM 1002 CB GLU A 538 16.519 -0.658 5.210 1.00 1.12 C ATOM 1003 CG GLU A 538 16.754 0.147 6.484 1.00 2.06 C ATOM 1004 CD GLU A 538 17.255 1.552 6.224 1.00 2.73 C ATOM 1005 OE1 GLU A 538 16.521 2.515 6.527 1.00 3.26 O ATOM 1006 OE2 GLU A 538 18.391 1.698 5.726 1.00 3.34 O ATOM 0 H GLU A 538 15.596 -2.105 3.440 1.00 0.73 H new ATOM 0 HA GLU A 538 14.445 -0.106 5.171 1.00 0.90 H new ATOM 0 HB2 GLU A 538 16.491 -1.717 5.467 1.00 1.12 H new ATOM 0 HB3 GLU A 538 17.370 -0.514 4.545 1.00 1.12 H new ATOM 0 HG2 GLU A 538 15.823 0.200 7.048 1.00 2.06 H new ATOM 0 HG3 GLU A 538 17.476 -0.378 7.109 1.00 2.06 H new ATOM 1013 N ASN A 539 16.049 0.795 2.437 1.00 0.84 N ATOM 1014 CA ASN A 539 16.339 1.924 1.550 1.00 1.00 C ATOM 1015 C ASN A 539 15.196 2.189 0.572 1.00 0.82 C ATOM 1016 O ASN A 539 15.372 2.905 -0.415 1.00 0.94 O ATOM 1017 CB ASN A 539 17.636 1.681 0.770 1.00 1.28 C ATOM 1018 CG ASN A 539 18.876 1.900 1.614 1.00 1.84 C ATOM 1019 OD1 ASN A 539 19.352 0.988 2.291 1.00 2.35 O ATOM 1020 ND2 ASN A 539 19.421 3.107 1.566 1.00 2.52 N ATOM 0 H ASN A 539 16.369 -0.107 2.085 1.00 0.84 H new ATOM 0 HA ASN A 539 16.456 2.804 2.183 1.00 1.00 H new ATOM 0 HB2 ASN A 539 17.638 0.661 0.386 1.00 1.28 H new ATOM 0 HB3 ASN A 539 17.666 2.347 -0.093 1.00 1.28 H new ATOM 0 HD21 ASN A 539 20.265 3.307 2.102 1.00 2.52 H new ATOM 0 HD22 ASN A 539 18.996 3.836 0.993 1.00 2.52 H new ATOM 1027 N ALA A 540 14.036 1.606 0.837 1.00 0.59 N ATOM 1028 CA ALA A 540 12.868 1.824 -0.006 1.00 0.51 C ATOM 1029 C ALA A 540 12.334 3.245 0.169 1.00 0.47 C ATOM 1030 O ALA A 540 11.973 3.647 1.280 1.00 0.51 O ATOM 1031 CB ALA A 540 11.790 0.805 0.309 1.00 0.47 C ATOM 0 H ALA A 540 13.878 0.980 1.627 1.00 0.59 H new ATOM 0 HA ALA A 540 13.167 1.699 -1.047 1.00 0.51 H new ATOM 0 HB1 ALA A 540 10.924 0.982 -0.329 1.00 0.47 H new ATOM 0 HB2 ALA A 540 12.175 -0.199 0.129 1.00 0.47 H new ATOM 0 HB3 ALA A 540 11.495 0.899 1.354 1.00 0.47 H new ATOM 1037 N PRO A 541 12.283 4.016 -0.930 1.00 0.46 N ATOM 1038 CA PRO A 541 11.901 5.433 -0.905 1.00 0.45 C ATOM 1039 C PRO A 541 10.392 5.658 -0.848 1.00 0.45 C ATOM 1040 O PRO A 541 9.601 4.727 -0.994 1.00 0.60 O ATOM 1041 CB PRO A 541 12.455 5.950 -2.230 1.00 0.49 C ATOM 1042 CG PRO A 541 12.358 4.782 -3.147 1.00 0.53 C ATOM 1043 CD PRO A 541 12.598 3.561 -2.299 1.00 0.52 C ATOM 0 HA PRO A 541 12.284 5.935 -0.017 1.00 0.45 H new ATOM 0 HB2 PRO A 541 11.876 6.796 -2.600 1.00 0.49 H new ATOM 0 HB3 PRO A 541 13.485 6.290 -2.125 1.00 0.49 H new ATOM 0 HG2 PRO A 541 11.378 4.740 -3.621 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.096 4.852 -3.946 1.00 0.53 H new ATOM 0 HD2 PRO A 541 11.959 2.732 -2.602 1.00 0.52 H new ATOM 0 HD3 PRO A 541 13.629 3.215 -2.378 1.00 0.52 H new ATOM 1051 N LEU A 542 10.005 6.907 -0.627 1.00 0.37 N ATOM 1052 CA LEU A 542 8.603 7.287 -0.578 1.00 0.38 C ATOM 1053 C LEU A 542 8.227 8.108 -1.807 1.00 0.35 C ATOM 1054 O LEU A 542 8.912 9.071 -2.156 1.00 0.43 O ATOM 1055 CB LEU A 542 8.315 8.101 0.689 1.00 0.49 C ATOM 1056 CG LEU A 542 7.956 7.296 1.948 1.00 0.58 C ATOM 1057 CD1 LEU A 542 6.657 6.549 1.748 1.00 0.60 C ATOM 1058 CD2 LEU A 542 9.063 6.330 2.326 1.00 1.40 C ATOM 0 H LEU A 542 10.652 7.681 -0.477 1.00 0.37 H new ATOM 0 HA LEU A 542 8.005 6.376 -0.563 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.191 8.710 0.911 1.00 0.49 H new ATOM 0 HB3 LEU A 542 7.495 8.787 0.476 1.00 0.49 H new ATOM 0 HG LEU A 542 7.835 8.004 2.767 1.00 0.58 H new ATOM 0 HD11 LEU A 542 6.419 5.985 2.650 1.00 0.60 H new ATOM 0 HD12 LEU A 542 5.856 7.260 1.543 1.00 0.60 H new ATOM 0 HD13 LEU A 542 6.758 5.863 0.907 1.00 0.60 H new ATOM 0 HD21 LEU A 542 8.774 5.778 3.221 1.00 1.40 H new ATOM 0 HD22 LEU A 542 9.231 5.631 1.507 1.00 1.40 H new ATOM 0 HD23 LEU A 542 9.980 6.886 2.523 1.00 1.40 H new ATOM 1070 N HIS A 543 7.147 7.717 -2.468 1.00 0.31 N ATOM 1071 CA HIS A 543 6.637 8.476 -3.600 1.00 0.32 C ATOM 1072 C HIS A 543 5.666 9.547 -3.131 1.00 0.29 C ATOM 1073 O HIS A 543 5.161 9.494 -2.010 1.00 0.33 O ATOM 1074 CB HIS A 543 5.960 7.553 -4.616 1.00 0.43 C ATOM 1075 CG HIS A 543 6.887 7.060 -5.681 1.00 0.62 C ATOM 1076 ND1 HIS A 543 6.506 6.900 -6.995 1.00 0.69 N ATOM 1077 CD2 HIS A 543 8.190 6.700 -5.624 1.00 1.25 C ATOM 1078 CE1 HIS A 543 7.532 6.465 -7.699 1.00 1.06 C ATOM 1079 NE2 HIS A 543 8.566 6.334 -6.891 1.00 1.47 N ATOM 0 H HIS A 543 6.608 6.881 -2.241 1.00 0.31 H new ATOM 0 HA HIS A 543 7.482 8.961 -4.089 1.00 0.32 H new ATOM 0 HB2 HIS A 543 5.534 6.698 -4.091 1.00 0.43 H new ATOM 0 HB3 HIS A 543 5.132 8.085 -5.084 1.00 0.43 H new ATOM 0 HD1 HIS A 543 5.575 7.089 -7.366 1.00 0.69 H new ATOM 0 HD2 HIS A 543 8.817 6.701 -4.745 1.00 1.25 H new ATOM 0 HE1 HIS A 543 7.527 6.252 -8.758 1.00 1.06 H new ATOM 1088 N LYS A 544 5.416 10.520 -3.991 1.00 0.35 N ATOM 1089 CA LYS A 544 4.560 11.647 -3.653 1.00 0.44 C ATOM 1090 C LYS A 544 3.188 11.475 -4.286 1.00 0.43 C ATOM 1091 O LYS A 544 3.073 11.302 -5.500 1.00 0.61 O ATOM 1092 CB LYS A 544 5.185 12.970 -4.124 1.00 0.67 C ATOM 1093 CG LYS A 544 6.441 13.391 -3.364 1.00 1.35 C ATOM 1094 CD LYS A 544 7.625 12.478 -3.649 1.00 1.77 C ATOM 1095 CE LYS A 544 8.858 12.902 -2.868 1.00 2.62 C ATOM 1096 NZ LYS A 544 9.970 11.926 -3.014 1.00 3.40 N ATOM 0 H LYS A 544 5.797 10.552 -4.937 1.00 0.35 H new ATOM 0 HA LYS A 544 4.455 11.678 -2.569 1.00 0.44 H new ATOM 0 HB2 LYS A 544 5.430 12.883 -5.183 1.00 0.67 H new ATOM 0 HB3 LYS A 544 4.440 13.760 -4.033 1.00 0.67 H new ATOM 0 HG2 LYS A 544 6.701 14.414 -3.636 1.00 1.35 H new ATOM 0 HG3 LYS A 544 6.233 13.388 -2.294 1.00 1.35 H new ATOM 0 HD2 LYS A 544 7.365 11.452 -3.390 1.00 1.77 H new ATOM 0 HD3 LYS A 544 7.847 12.491 -4.716 1.00 1.77 H new ATOM 0 HE2 LYS A 544 9.187 13.882 -3.214 1.00 2.62 H new ATOM 0 HE3 LYS A 544 8.602 13.005 -1.814 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 10.761 12.207 -2.400 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 9.639 10.979 -2.740 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 10.289 11.909 -4.004 1.00 3.40 H new ATOM 1110 N LEU A 545 2.147 11.526 -3.468 1.00 0.44 N ATOM 1111 CA LEU A 545 0.786 11.387 -3.964 1.00 0.58 C ATOM 1112 C LEU A 545 0.213 12.748 -4.333 1.00 0.66 C ATOM 1113 O LEU A 545 -0.777 13.201 -3.752 1.00 1.04 O ATOM 1114 CB LEU A 545 -0.111 10.699 -2.931 1.00 1.01 C ATOM 1115 CG LEU A 545 0.242 9.243 -2.619 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -0.754 8.650 -1.637 1.00 0.85 C ATOM 1117 CD2 LEU A 545 0.282 8.418 -3.895 1.00 0.67 C ATOM 0 H LEU A 545 2.218 11.662 -2.460 1.00 0.44 H new ATOM 0 HA LEU A 545 0.817 10.763 -4.857 1.00 0.58 H new ATOM 0 HB2 LEU A 545 -0.073 11.271 -2.004 1.00 1.01 H new ATOM 0 HB3 LEU A 545 -1.141 10.737 -3.287 1.00 1.01 H new ATOM 0 HG LEU A 545 1.231 9.222 -2.162 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -0.486 7.614 -1.428 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -0.737 9.224 -0.710 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -1.755 8.686 -2.067 1.00 0.85 H new ATOM 0 HD21 LEU A 545 0.535 7.386 -3.653 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -0.694 8.449 -4.379 1.00 0.67 H new ATOM 0 HD23 LEU A 545 1.034 8.827 -4.569 1.00 0.67 H new ATOM 1129 N GLY A 546 0.844 13.395 -5.297 1.00 1.15 N ATOM 1130 CA GLY A 546 0.379 14.686 -5.756 1.00 1.43 C ATOM 1131 C GLY A 546 0.197 14.716 -7.256 1.00 2.14 C ATOM 1132 O GLY A 546 0.578 15.683 -7.918 1.00 2.85 O ATOM 0 H GLY A 546 1.676 13.047 -5.774 1.00 1.15 H new ATOM 0 HA2 GLY A 546 -0.567 14.925 -5.270 1.00 1.43 H new ATOM 0 HA3 GLY A 546 1.093 15.455 -5.461 1.00 1.43 H new ATOM 1136 N GLY A 547 -0.385 13.656 -7.794 1.00 2.68 N ATOM 1137 CA GLY A 547 -0.590 13.571 -9.222 1.00 3.84 C ATOM 1138 C GLY A 547 -2.037 13.303 -9.566 1.00 4.60 C ATOM 1139 O GLY A 547 -2.811 14.273 -9.684 1.00 4.86 O ATOM 1140 OXT GLY A 547 -2.408 12.119 -9.713 1.00 5.29 O ATOM 0 H GLY A 547 -0.720 12.851 -7.264 1.00 2.68 H new ATOM 0 HA2 GLY A 547 -0.271 14.502 -9.691 1.00 3.84 H new ATOM 0 HA3 GLY A 547 0.034 12.777 -9.632 1.00 3.84 H new TER 1144 GLY A 547