USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 493 TYR OH : rot 165:sc= -0.318 USER MOD Set 1.2: A 496 MET CE :methyl -176:sc= -0.0141 (180deg=-0.0231) USER MOD Single : A 473 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.2!) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 481 GLN : amide:sc= 1.4 K(o=1.4,f=-5.5!) USER MOD Single : A 485 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.8!) USER MOD Single : A 488 HIS : no HD1:sc= -1 X(o=-1,f=-1) USER MOD Single : A 497 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 THR OG1 : rot 180:sc= 0.00431 USER MOD Single : A 505 THR OG1 : rot 180:sc= 0 USER MOD Single : A 508 TYR OH : rot 180:sc= 0 USER MOD Single : A 510 MET CE :methyl -170:sc= 0 (180deg=-0.212) USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 TYR OH : rot 37:sc= 1.3 USER MOD Single : A 515 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 518 LYS NZ :NH3+ -125:sc= 1.29 (180deg=0.245) USER MOD Single : A 520 TYR OH : rot 180:sc= 0 USER MOD Single : A 524 SER OG : rot 180:sc= 0.0552 USER MOD Single : A 525 SER OG : rot 180:sc= -0.275 USER MOD Single : A 527 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.034) 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= -0.339 K(o=-0.34,f=-1.1) USER MOD Single : A 543 HIS : no HD1:sc= -0.0505 X(o=-0.05,f=-0.16) USER MOD Single : A 544 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 472 4.045 -13.265 -3.812 1.00 1.75 N ATOM 2 CA ARG A 472 3.219 -12.071 -3.542 1.00 1.43 C ATOM 3 C ARG A 472 1.773 -12.459 -3.256 1.00 1.73 C ATOM 4 O ARG A 472 1.128 -13.116 -4.074 1.00 2.33 O ATOM 5 CB ARG A 472 3.270 -11.104 -4.728 1.00 1.05 C ATOM 6 CG ARG A 472 2.184 -10.047 -4.686 1.00 1.63 C ATOM 7 CD ARG A 472 2.328 -9.046 -5.812 1.00 2.44 C ATOM 8 NE ARG A 472 2.368 -9.677 -7.132 1.00 3.40 N ATOM 9 CZ ARG A 472 2.442 -8.994 -8.275 1.00 4.48 C ATOM 10 NH1 ARG A 472 2.378 -7.670 -8.266 1.00 4.87 N ATOM 11 NH2 ARG A 472 2.548 -9.636 -9.429 1.00 5.44 N ATOM 0 HA ARG A 472 3.627 -11.577 -2.660 1.00 1.43 H new ATOM 0 HB2 ARG A 472 4.244 -10.614 -4.747 1.00 1.05 H new ATOM 0 HB3 ARG A 472 3.180 -11.671 -5.655 1.00 1.05 H new ATOM 0 HG2 ARG A 472 1.207 -10.527 -4.749 1.00 1.63 H new ATOM 0 HG3 ARG A 472 2.221 -9.526 -3.730 1.00 1.63 H new ATOM 0 HD2 ARG A 472 1.496 -8.343 -5.776 1.00 2.44 H new ATOM 0 HD3 ARG A 472 3.240 -8.468 -5.663 1.00 2.44 H new ATOM 0 HE ARG A 472 2.338 -10.695 -7.180 1.00 3.40 H new ATOM 0 HH11 ARG A 472 2.272 -7.171 -7.383 1.00 4.87 H new ATOM 0 HH12 ARG A 472 2.435 -7.151 -9.142 1.00 4.87 H new ATOM 0 HH21 ARG A 472 2.573 -10.656 -9.445 1.00 5.44 H new ATOM 0 HH22 ARG A 472 2.604 -9.111 -10.302 1.00 5.44 H new ATOM 27 N ASN A 473 1.271 -12.051 -2.094 1.00 1.77 N ATOM 28 CA ASN A 473 -0.122 -12.297 -1.725 1.00 2.11 C ATOM 29 C ASN A 473 -0.720 -11.098 -0.995 1.00 1.62 C ATOM 30 O ASN A 473 -1.940 -10.937 -0.952 1.00 2.26 O ATOM 31 CB ASN A 473 -0.251 -13.546 -0.845 1.00 2.96 C ATOM 32 CG ASN A 473 -0.193 -14.837 -1.637 1.00 3.43 C ATOM 33 OD1 ASN A 473 -0.650 -14.904 -2.776 1.00 3.75 O ATOM 34 ND2 ASN A 473 0.373 -15.873 -1.038 1.00 3.92 N ATOM 0 H ASN A 473 1.809 -11.547 -1.389 1.00 1.77 H new ATOM 0 HA ASN A 473 -0.674 -12.458 -2.651 1.00 2.11 H new ATOM 0 HB2 ASN A 473 0.548 -13.545 -0.103 1.00 2.96 H new ATOM 0 HB3 ASN A 473 -1.193 -13.503 -0.299 1.00 2.96 H new ATOM 0 HD21 ASN A 473 0.442 -16.768 -1.523 1.00 3.92 H new ATOM 0 HD22 ASN A 473 0.740 -15.777 -0.091 1.00 3.92 H new ATOM 41 N LEU A 474 0.152 -10.258 -0.431 1.00 1.02 N ATOM 42 CA LEU A 474 -0.265 -9.114 0.381 1.00 0.50 C ATOM 43 C LEU A 474 -1.186 -9.579 1.516 1.00 0.52 C ATOM 44 O LEU A 474 -1.016 -10.688 2.032 1.00 1.38 O ATOM 45 CB LEU A 474 -0.964 -8.033 -0.470 1.00 0.67 C ATOM 46 CG LEU A 474 -0.115 -7.339 -1.553 1.00 0.54 C ATOM 47 CD1 LEU A 474 1.327 -7.132 -1.119 1.00 1.29 C ATOM 48 CD2 LEU A 474 -0.170 -8.102 -2.851 1.00 0.94 C ATOM 0 H LEU A 474 1.163 -10.352 -0.524 1.00 1.02 H new ATOM 0 HA LEU A 474 0.632 -8.666 0.808 1.00 0.50 H new ATOM 0 HB2 LEU A 474 -1.826 -8.489 -0.956 1.00 0.67 H new ATOM 0 HB3 LEU A 474 -1.347 -7.266 0.204 1.00 0.67 H new ATOM 0 HG LEU A 474 -0.550 -6.351 -1.706 1.00 0.54 H new ATOM 0 HD11 LEU A 474 1.881 -6.640 -1.919 1.00 1.29 H new ATOM 0 HD12 LEU A 474 1.352 -6.510 -0.224 1.00 1.29 H new ATOM 0 HD13 LEU A 474 1.784 -8.098 -0.903 1.00 1.29 H new ATOM 0 HD21 LEU A 474 0.437 -7.592 -3.599 1.00 0.94 H new ATOM 0 HD22 LEU A 474 0.215 -9.110 -2.697 1.00 0.94 H new ATOM 0 HD23 LEU A 474 -1.202 -8.157 -3.197 1.00 0.94 H new ATOM 60 N ALA A 475 -2.137 -8.716 1.908 1.00 1.09 N ATOM 61 CA ALA A 475 -3.117 -9.011 2.964 1.00 1.19 C ATOM 62 C ALA A 475 -2.457 -9.087 4.340 1.00 1.15 C ATOM 63 O ALA A 475 -2.687 -8.232 5.198 1.00 1.34 O ATOM 64 CB ALA A 475 -3.885 -10.294 2.659 1.00 1.36 C ATOM 0 H ALA A 475 -2.248 -7.789 1.498 1.00 1.09 H new ATOM 0 HA ALA A 475 -3.829 -8.186 2.985 1.00 1.19 H new ATOM 0 HB1 ALA A 475 -4.602 -10.487 3.457 1.00 1.36 H new ATOM 0 HB2 ALA A 475 -4.415 -10.185 1.713 1.00 1.36 H new ATOM 0 HB3 ALA A 475 -3.187 -11.128 2.589 1.00 1.36 H new ATOM 70 N GLU A 476 -1.609 -10.089 4.530 1.00 1.05 N ATOM 71 CA GLU A 476 -0.886 -10.280 5.782 1.00 1.13 C ATOM 72 C GLU A 476 0.357 -9.391 5.812 1.00 0.88 C ATOM 73 O GLU A 476 1.372 -9.729 6.422 1.00 0.99 O ATOM 74 CB GLU A 476 -0.491 -11.749 5.932 1.00 1.40 C ATOM 75 CG GLU A 476 -1.667 -12.704 5.842 1.00 1.65 C ATOM 76 CD GLU A 476 -1.235 -14.151 5.783 1.00 1.89 C ATOM 77 OE1 GLU A 476 -1.125 -14.697 4.663 1.00 2.45 O ATOM 78 OE2 GLU A 476 -0.998 -14.751 6.853 1.00 2.32 O ATOM 0 H GLU A 476 -1.402 -10.793 3.821 1.00 1.05 H new ATOM 0 HA GLU A 476 -1.533 -10.001 6.614 1.00 1.13 H new ATOM 0 HB2 GLU A 476 0.233 -12.003 5.158 1.00 1.40 H new ATOM 0 HB3 GLU A 476 0.006 -11.887 6.892 1.00 1.40 H new ATOM 0 HG2 GLU A 476 -2.317 -12.557 6.705 1.00 1.65 H new ATOM 0 HG3 GLU A 476 -2.256 -12.468 4.956 1.00 1.65 H new ATOM 85 N LEU A 477 0.254 -8.258 5.134 1.00 0.62 N ATOM 86 CA LEU A 477 1.331 -7.290 5.042 1.00 0.41 C ATOM 87 C LEU A 477 1.682 -6.727 6.411 1.00 0.48 C ATOM 88 O LEU A 477 0.804 -6.457 7.227 1.00 0.70 O ATOM 89 CB LEU A 477 0.912 -6.161 4.105 1.00 0.33 C ATOM 90 CG LEU A 477 1.036 -6.473 2.617 1.00 0.27 C ATOM 91 CD1 LEU A 477 0.030 -5.663 1.813 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.447 -6.164 2.153 1.00 0.34 C ATOM 0 H LEU A 477 -0.588 -7.984 4.628 1.00 0.62 H new ATOM 0 HA LEU A 477 2.217 -7.789 4.649 1.00 0.41 H new ATOM 0 HB2 LEU A 477 -0.124 -5.898 4.320 1.00 0.33 H new ATOM 0 HB3 LEU A 477 1.517 -5.282 4.327 1.00 0.33 H new ATOM 0 HG LEU A 477 0.825 -7.531 2.458 1.00 0.27 H new ATOM 0 HD11 LEU A 477 0.135 -5.900 0.754 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -0.980 -5.908 2.141 1.00 0.32 H new ATOM 0 HD13 LEU A 477 0.213 -4.600 1.966 1.00 0.32 H new ATOM 0 HD21 LEU A 477 2.537 -6.386 1.090 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.663 -5.109 2.323 1.00 0.34 H new ATOM 0 HD23 LEU A 477 3.156 -6.774 2.713 1.00 0.34 H new ATOM 104 N HIS A 478 2.970 -6.557 6.653 1.00 0.41 N ATOM 105 CA HIS A 478 3.449 -6.048 7.929 1.00 0.48 C ATOM 106 C HIS A 478 3.485 -4.527 7.915 1.00 0.36 C ATOM 107 O HIS A 478 3.631 -3.908 6.861 1.00 0.30 O ATOM 108 CB HIS A 478 4.837 -6.607 8.241 1.00 0.63 C ATOM 109 CG HIS A 478 4.832 -8.071 8.557 1.00 1.07 C ATOM 110 ND1 HIS A 478 4.855 -8.561 9.843 1.00 1.59 N ATOM 111 CD2 HIS A 478 4.807 -9.153 7.745 1.00 1.83 C ATOM 112 CE1 HIS A 478 4.849 -9.881 9.809 1.00 1.99 C ATOM 113 NE2 HIS A 478 4.818 -10.266 8.548 1.00 2.14 N ATOM 0 H HIS A 478 3.707 -6.765 5.980 1.00 0.41 H new ATOM 0 HA HIS A 478 2.760 -6.373 8.709 1.00 0.48 H new ATOM 0 HB2 HIS A 478 5.492 -6.429 7.388 1.00 0.63 H new ATOM 0 HB3 HIS A 478 5.258 -6.062 9.086 1.00 0.63 H new ATOM 0 HD2 HIS A 478 4.783 -9.143 6.665 1.00 1.83 H new ATOM 0 HE1 HIS A 478 4.867 -10.535 10.668 1.00 1.99 H new ATOM 0 HE2 HIS A 478 4.804 -11.233 8.223 1.00 2.14 H new ATOM 122 N ILE A 479 3.352 -3.933 9.091 1.00 0.37 N ATOM 123 CA ILE A 479 3.289 -2.484 9.215 1.00 0.34 C ATOM 124 C ILE A 479 4.642 -1.855 8.912 1.00 0.31 C ATOM 125 O ILE A 479 5.664 -2.275 9.451 1.00 0.35 O ATOM 126 CB ILE A 479 2.858 -2.054 10.633 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.578 -2.782 11.066 1.00 0.54 C ATOM 128 CG2 ILE A 479 2.669 -0.543 10.692 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.413 -2.613 10.114 1.00 0.56 C ATOM 0 H ILE A 479 3.285 -4.434 9.977 1.00 0.37 H new ATOM 0 HA ILE A 479 2.548 -2.139 8.494 1.00 0.34 H new ATOM 0 HB ILE A 479 3.649 -2.332 11.330 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.796 -3.845 11.170 1.00 0.54 H new ATOM 0 HG13 ILE A 479 1.283 -2.419 12.051 1.00 0.54 H new ATOM 0 HG21 ILE A 479 2.365 -0.253 11.698 1.00 0.51 H new ATOM 0 HG22 ILE A 479 3.607 -0.049 10.440 1.00 0.51 H new ATOM 0 HG23 ILE A 479 1.899 -0.245 9.980 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.450 -3.159 10.495 1.00 0.56 H new ATOM 0 HD12 ILE A 479 0.164 -1.555 10.028 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.685 -3.003 9.133 1.00 0.56 H new ATOM 141 N GLY A 480 4.641 -0.854 8.042 1.00 0.30 N ATOM 142 CA GLY A 480 5.860 -0.141 7.734 1.00 0.38 C ATOM 143 C GLY A 480 6.630 -0.776 6.596 1.00 0.41 C ATOM 144 O GLY A 480 7.761 -0.383 6.303 1.00 0.63 O ATOM 0 H GLY A 480 3.814 -0.524 7.544 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.619 0.890 7.475 1.00 0.38 H new ATOM 0 HA3 GLY A 480 6.492 -0.107 8.622 1.00 0.38 H new ATOM 148 N GLN A 481 6.015 -1.758 5.949 1.00 0.28 N ATOM 149 CA GLN A 481 6.644 -2.441 4.831 1.00 0.35 C ATOM 150 C GLN A 481 6.541 -1.620 3.558 1.00 0.30 C ATOM 151 O GLN A 481 5.503 -1.016 3.274 1.00 0.30 O ATOM 152 CB GLN A 481 6.015 -3.815 4.609 1.00 0.42 C ATOM 153 CG GLN A 481 6.582 -4.895 5.511 1.00 1.02 C ATOM 154 CD GLN A 481 8.026 -5.222 5.195 1.00 1.43 C ATOM 155 OE1 GLN A 481 8.307 -6.074 4.350 1.00 2.34 O ATOM 156 NE2 GLN A 481 8.949 -4.566 5.880 1.00 1.79 N ATOM 0 H GLN A 481 5.082 -2.098 6.181 1.00 0.28 H new ATOM 0 HA GLN A 481 7.698 -2.569 5.079 1.00 0.35 H new ATOM 0 HB2 GLN A 481 4.940 -3.744 4.773 1.00 0.42 H new ATOM 0 HB3 GLN A 481 6.160 -4.108 3.569 1.00 0.42 H new ATOM 0 HG2 GLN A 481 6.506 -4.572 6.549 1.00 1.02 H new ATOM 0 HG3 GLN A 481 5.979 -5.798 5.413 1.00 1.02 H new ATOM 0 HE21 GLN A 481 8.672 -3.868 6.571 1.00 1.79 H new ATOM 0 HE22 GLN A 481 9.937 -4.758 5.717 1.00 1.79 H new ATOM 165 N PRO A 482 7.627 -1.574 2.785 1.00 0.33 N ATOM 166 CA PRO A 482 7.645 -0.894 1.498 1.00 0.30 C ATOM 167 C PRO A 482 6.970 -1.725 0.413 1.00 0.28 C ATOM 168 O PRO A 482 7.377 -2.856 0.129 1.00 0.33 O ATOM 169 CB PRO A 482 9.137 -0.735 1.211 1.00 0.34 C ATOM 170 CG PRO A 482 9.787 -1.879 1.916 1.00 0.40 C ATOM 171 CD PRO A 482 8.929 -2.182 3.117 1.00 0.43 C ATOM 0 HA PRO A 482 7.102 0.051 1.514 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.339 -0.765 0.140 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.511 0.220 1.580 1.00 0.34 H new ATOM 0 HG2 PRO A 482 9.860 -2.748 1.262 1.00 0.40 H new ATOM 0 HG3 PRO A 482 10.802 -1.622 2.219 1.00 0.40 H new ATOM 0 HD2 PRO A 482 8.838 -3.256 3.282 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.350 -1.754 4.027 1.00 0.43 H new ATOM 179 N VAL A 483 5.940 -1.161 -0.192 1.00 0.24 N ATOM 180 CA VAL A 483 5.198 -1.841 -1.243 1.00 0.24 C ATOM 181 C VAL A 483 4.939 -0.892 -2.400 1.00 0.27 C ATOM 182 O VAL A 483 4.886 0.323 -2.215 1.00 0.39 O ATOM 183 CB VAL A 483 3.853 -2.404 -0.732 1.00 0.23 C ATOM 184 CG1 VAL A 483 4.078 -3.558 0.231 1.00 0.29 C ATOM 185 CG2 VAL A 483 3.029 -1.314 -0.064 1.00 0.25 C ATOM 0 H VAL A 483 5.595 -0.227 0.028 1.00 0.24 H new ATOM 0 HA VAL A 483 5.809 -2.679 -1.578 1.00 0.24 H new ATOM 0 HB VAL A 483 3.299 -2.777 -1.594 1.00 0.23 H new ATOM 0 HG11 VAL A 483 3.116 -3.937 0.576 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.621 -4.355 -0.277 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.659 -3.211 1.085 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.087 -1.734 0.288 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.583 -0.906 0.782 1.00 0.25 H new ATOM 0 HG23 VAL A 483 2.826 -0.519 -0.782 1.00 0.25 H new ATOM 195 N VAL A 484 4.793 -1.447 -3.591 1.00 0.28 N ATOM 196 CA VAL A 484 4.571 -0.648 -4.779 1.00 0.31 C ATOM 197 C VAL A 484 3.138 -0.771 -5.269 1.00 0.28 C ATOM 198 O VAL A 484 2.518 -1.832 -5.195 1.00 0.29 O ATOM 199 CB VAL A 484 5.537 -1.026 -5.922 1.00 0.35 C ATOM 200 CG1 VAL A 484 6.972 -0.722 -5.530 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.386 -2.488 -6.300 1.00 0.31 C ATOM 0 H VAL A 484 4.825 -2.453 -3.759 1.00 0.28 H new ATOM 0 HA VAL A 484 4.764 0.386 -4.493 1.00 0.31 H new ATOM 0 HB VAL A 484 5.281 -0.423 -6.794 1.00 0.35 H new ATOM 0 HG11 VAL A 484 7.638 -0.995 -6.348 1.00 0.42 H new ATOM 0 HG12 VAL A 484 7.074 0.343 -5.319 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.235 -1.295 -4.641 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.078 -2.728 -7.107 1.00 0.31 H new ATOM 0 HG22 VAL A 484 5.608 -3.112 -5.434 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.364 -2.675 -6.630 1.00 0.31 H new ATOM 211 N HIS A 485 2.623 0.339 -5.753 1.00 0.34 N ATOM 212 CA HIS A 485 1.291 0.409 -6.317 1.00 0.29 C ATOM 213 C HIS A 485 1.408 0.790 -7.782 1.00 0.24 C ATOM 214 O HIS A 485 1.972 1.831 -8.100 1.00 0.29 O ATOM 215 CB HIS A 485 0.469 1.460 -5.556 1.00 0.36 C ATOM 216 CG HIS A 485 -0.998 1.478 -5.879 1.00 0.52 C ATOM 217 ND1 HIS A 485 -1.791 2.592 -5.698 1.00 1.09 N ATOM 218 CD2 HIS A 485 -1.824 0.512 -6.349 1.00 0.41 C ATOM 219 CE1 HIS A 485 -3.034 2.309 -6.040 1.00 1.19 C ATOM 220 NE2 HIS A 485 -3.079 1.055 -6.438 1.00 0.73 N ATOM 0 H HIS A 485 3.123 1.228 -5.766 1.00 0.34 H new ATOM 0 HA HIS A 485 0.789 -0.555 -6.230 1.00 0.29 H new ATOM 0 HB2 HIS A 485 0.588 1.287 -4.486 1.00 0.36 H new ATOM 0 HB3 HIS A 485 0.884 2.446 -5.767 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -1.545 -0.499 -6.606 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -3.871 2.990 -6.000 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -3.914 0.566 -6.761 1.00 0.73 H new ATOM 229 N LEU A 486 0.876 -0.056 -8.661 1.00 0.23 N ATOM 230 CA LEU A 486 0.973 0.144 -10.116 1.00 0.30 C ATOM 231 C LEU A 486 0.490 1.535 -10.549 1.00 0.38 C ATOM 232 O LEU A 486 0.800 1.999 -11.646 1.00 0.52 O ATOM 233 CB LEU A 486 0.209 -0.981 -10.860 1.00 0.32 C ATOM 234 CG LEU A 486 -1.339 -0.927 -10.901 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.940 -0.517 -9.567 1.00 0.37 C ATOM 236 CD2 LEU A 486 -1.832 -0.015 -12.013 1.00 0.48 C ATOM 0 H LEU A 486 0.366 -0.898 -8.393 1.00 0.23 H new ATOM 0 HA LEU A 486 2.027 0.090 -10.389 1.00 0.30 H new ATOM 0 HB2 LEU A 486 0.567 -0.999 -11.890 1.00 0.32 H new ATOM 0 HB3 LEU A 486 0.495 -1.930 -10.407 1.00 0.32 H new ATOM 0 HG LEU A 486 -1.678 -1.941 -11.111 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -3.027 -0.494 -9.649 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -1.649 -1.235 -8.801 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -1.576 0.473 -9.293 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -2.922 0.001 -12.014 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -1.455 0.995 -11.850 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -1.473 -0.385 -12.973 1.00 0.48 H new ATOM 248 N GLU A 487 -0.259 2.194 -9.678 1.00 0.38 N ATOM 249 CA GLU A 487 -0.765 3.525 -9.949 1.00 0.54 C ATOM 250 C GLU A 487 0.291 4.590 -9.673 1.00 0.55 C ATOM 251 O GLU A 487 0.589 5.411 -10.533 1.00 0.69 O ATOM 252 CB GLU A 487 -2.006 3.790 -9.101 1.00 0.64 C ATOM 253 CG GLU A 487 -3.229 3.011 -9.553 1.00 0.76 C ATOM 254 CD GLU A 487 -3.832 3.571 -10.822 1.00 1.47 C ATOM 255 OE1 GLU A 487 -3.293 3.301 -11.916 1.00 2.37 O ATOM 256 OE2 GLU A 487 -4.847 4.292 -10.729 1.00 1.85 O ATOM 0 H GLU A 487 -0.531 1.821 -8.768 1.00 0.38 H new ATOM 0 HA GLU A 487 -1.026 3.578 -11.006 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -1.788 3.537 -8.063 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -2.234 4.856 -9.128 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -2.954 1.969 -9.714 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -3.978 3.024 -8.761 1.00 0.76 H new ATOM 263 N HIS A 488 0.866 4.578 -8.476 1.00 0.44 N ATOM 264 CA HIS A 488 1.776 5.653 -8.091 1.00 0.48 C ATOM 265 C HIS A 488 3.194 5.164 -7.813 1.00 0.42 C ATOM 266 O HIS A 488 4.159 5.804 -8.226 1.00 0.52 O ATOM 267 CB HIS A 488 1.219 6.413 -6.890 1.00 0.53 C ATOM 268 CG HIS A 488 0.204 7.449 -7.276 1.00 0.71 C ATOM 269 ND1 HIS A 488 -1.131 7.365 -6.945 1.00 1.44 N ATOM 270 CD2 HIS A 488 0.345 8.604 -7.967 1.00 1.14 C ATOM 271 CE1 HIS A 488 -1.766 8.422 -7.417 1.00 1.39 C ATOM 272 NE2 HIS A 488 -0.894 9.190 -8.039 1.00 1.12 N ATOM 0 H HIS A 488 0.724 3.856 -7.770 1.00 0.44 H new ATOM 0 HA HIS A 488 1.847 6.329 -8.943 1.00 0.48 H new ATOM 0 HB2 HIS A 488 0.763 5.705 -6.198 1.00 0.53 H new ATOM 0 HB3 HIS A 488 2.040 6.895 -6.359 1.00 0.53 H new ATOM 0 HD2 HIS A 488 1.262 8.993 -8.384 1.00 1.14 H new ATOM 0 HE1 HIS A 488 -2.822 8.623 -7.311 1.00 1.39 H new ATOM 0 HE2 HIS A 488 -1.105 10.076 -8.499 1.00 1.12 H new ATOM 281 N GLY A 489 3.335 4.030 -7.146 1.00 0.37 N ATOM 282 CA GLY A 489 4.665 3.515 -6.889 1.00 0.39 C ATOM 283 C GLY A 489 4.858 3.038 -5.467 1.00 0.29 C ATOM 284 O GLY A 489 3.926 2.534 -4.845 1.00 0.25 O ATOM 0 H GLY A 489 2.568 3.464 -6.783 1.00 0.37 H new ATOM 0 HA2 GLY A 489 4.866 2.690 -7.572 1.00 0.39 H new ATOM 0 HA3 GLY A 489 5.397 4.293 -7.106 1.00 0.39 H new ATOM 288 N VAL A 490 6.069 3.211 -4.955 1.00 0.30 N ATOM 289 CA VAL A 490 6.446 2.687 -3.645 1.00 0.27 C ATOM 290 C VAL A 490 5.951 3.573 -2.496 1.00 0.21 C ATOM 291 O VAL A 490 6.056 4.803 -2.543 1.00 0.23 O ATOM 292 CB VAL A 490 7.981 2.520 -3.547 1.00 0.34 C ATOM 293 CG1 VAL A 490 8.686 3.849 -3.773 1.00 0.94 C ATOM 294 CG2 VAL A 490 8.386 1.915 -2.209 1.00 1.06 C ATOM 0 H VAL A 490 6.816 3.716 -5.432 1.00 0.30 H new ATOM 0 HA VAL A 490 5.964 1.715 -3.546 1.00 0.27 H new ATOM 0 HB VAL A 490 8.291 1.831 -4.333 1.00 0.34 H new ATOM 0 HG11 VAL A 490 9.764 3.706 -3.699 1.00 0.94 H new ATOM 0 HG12 VAL A 490 8.437 4.229 -4.764 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.362 4.566 -3.018 1.00 0.94 H new ATOM 0 HG21 VAL A 490 9.470 1.810 -2.170 1.00 1.06 H new ATOM 0 HG22 VAL A 490 8.055 2.567 -1.400 1.00 1.06 H new ATOM 0 HG23 VAL A 490 7.922 0.935 -2.098 1.00 1.06 H new ATOM 304 N GLY A 491 5.409 2.928 -1.469 1.00 0.18 N ATOM 305 CA GLY A 491 4.981 3.624 -0.271 1.00 0.18 C ATOM 306 C GLY A 491 5.199 2.778 0.971 1.00 0.16 C ATOM 307 O GLY A 491 5.788 1.698 0.890 1.00 0.16 O ATOM 0 H GLY A 491 5.257 1.920 -1.447 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.531 4.560 -0.176 1.00 0.18 H new ATOM 0 HA3 GLY A 491 3.925 3.882 -0.356 1.00 0.18 H new ATOM 311 N ARG A 492 4.733 3.260 2.115 1.00 0.17 N ATOM 312 CA ARG A 492 4.838 2.511 3.363 1.00 0.17 C ATOM 313 C ARG A 492 3.477 1.977 3.776 1.00 0.14 C ATOM 314 O ARG A 492 2.542 2.743 4.009 1.00 0.18 O ATOM 315 CB ARG A 492 5.399 3.387 4.480 1.00 0.24 C ATOM 316 CG ARG A 492 6.796 3.902 4.205 1.00 0.37 C ATOM 317 CD ARG A 492 7.790 2.764 4.031 1.00 0.44 C ATOM 318 NE ARG A 492 9.173 3.228 4.131 1.00 0.98 N ATOM 319 CZ ARG A 492 9.977 3.441 3.090 1.00 1.21 C ATOM 320 NH1 ARG A 492 9.537 3.264 1.845 1.00 1.35 N ATOM 321 NH2 ARG A 492 11.225 3.834 3.298 1.00 1.93 N ATOM 0 H ARG A 492 4.277 4.168 2.206 1.00 0.17 H new ATOM 0 HA ARG A 492 5.519 1.677 3.195 1.00 0.17 H new ATOM 0 HB2 ARG A 492 4.732 4.235 4.634 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.408 2.816 5.408 1.00 0.24 H new ATOM 0 HG2 ARG A 492 6.787 4.518 3.306 1.00 0.37 H new ATOM 0 HG3 ARG A 492 7.116 4.543 5.027 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.607 2.003 4.789 1.00 0.44 H new ATOM 0 HD3 ARG A 492 7.635 2.292 3.061 1.00 0.44 H new ATOM 0 HE ARG A 492 9.549 3.401 5.063 1.00 0.98 H new ATOM 0 HH11 ARG A 492 8.576 2.963 1.682 1.00 1.35 H new ATOM 0 HH12 ARG A 492 10.161 3.430 1.055 1.00 1.35 H new ATOM 0 HH21 ARG A 492 11.564 3.971 4.250 1.00 1.93 H new ATOM 0 HH22 ARG A 492 11.846 3.999 2.506 1.00 1.93 H new ATOM 335 N TYR A 493 3.370 0.664 3.843 1.00 0.15 N ATOM 336 CA TYR A 493 2.124 0.012 4.210 1.00 0.14 C ATOM 337 C TYR A 493 1.764 0.316 5.658 1.00 0.14 C ATOM 338 O TYR A 493 2.611 0.213 6.546 1.00 0.15 O ATOM 339 CB TYR A 493 2.259 -1.495 4.022 1.00 0.15 C ATOM 340 CG TYR A 493 0.988 -2.257 4.299 1.00 0.15 C ATOM 341 CD1 TYR A 493 0.753 -2.828 5.544 1.00 1.14 C ATOM 342 CD2 TYR A 493 0.023 -2.408 3.314 1.00 1.21 C ATOM 343 CE1 TYR A 493 -0.406 -3.531 5.798 1.00 1.15 C ATOM 344 CE2 TYR A 493 -1.138 -3.109 3.563 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.349 -3.670 4.803 1.00 0.19 C ATOM 346 OH TYR A 493 -2.505 -4.373 5.050 1.00 0.23 O ATOM 0 H TYR A 493 4.137 0.021 3.646 1.00 0.15 H new ATOM 0 HA TYR A 493 1.331 0.392 3.567 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.578 -1.697 3.000 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.045 -1.865 4.680 1.00 0.15 H new ATOM 0 HD1 TYR A 493 1.490 -2.719 6.326 1.00 1.14 H new ATOM 0 HD2 TYR A 493 0.183 -1.971 2.339 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -0.573 -3.970 6.771 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -1.881 -3.218 2.787 1.00 1.21 H new ATOM 0 HH TYR A 493 -3.161 -4.181 4.348 1.00 0.23 H new ATOM 356 N ALA A 494 0.512 0.676 5.901 1.00 0.18 N ATOM 357 CA ALA A 494 0.072 0.944 7.260 1.00 0.21 C ATOM 358 C ALA A 494 -1.297 0.341 7.531 1.00 0.21 C ATOM 359 O ALA A 494 -2.324 0.947 7.232 1.00 0.22 O ATOM 360 CB ALA A 494 0.042 2.441 7.524 1.00 0.25 C ATOM 0 H ALA A 494 -0.207 0.788 5.186 1.00 0.18 H new ATOM 0 HA ALA A 494 0.788 0.476 7.936 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.290 2.624 8.546 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.041 2.855 7.387 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.647 2.919 6.828 1.00 0.25 H new ATOM 366 N GLY A 495 -1.292 -0.839 8.136 1.00 0.22 N ATOM 367 CA GLY A 495 -2.519 -1.491 8.558 1.00 0.23 C ATOM 368 C GLY A 495 -3.555 -1.614 7.462 1.00 0.21 C ATOM 369 O GLY A 495 -3.233 -1.719 6.277 1.00 0.21 O ATOM 0 H GLY A 495 -0.444 -1.366 8.346 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.280 -2.486 8.932 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -2.948 -0.932 9.390 1.00 0.23 H new ATOM 373 N MET A 496 -4.805 -1.607 7.875 1.00 0.22 N ATOM 374 CA MET A 496 -5.927 -1.678 6.954 1.00 0.21 C ATOM 375 C MET A 496 -7.051 -0.765 7.405 1.00 0.22 C ATOM 376 O MET A 496 -7.258 -0.547 8.600 1.00 0.27 O ATOM 377 CB MET A 496 -6.444 -3.111 6.818 1.00 0.23 C ATOM 378 CG MET A 496 -5.769 -3.890 5.706 1.00 0.22 C ATOM 379 SD MET A 496 -6.340 -5.597 5.610 1.00 0.33 S ATOM 380 CE MET A 496 -5.425 -6.174 4.183 1.00 1.68 C ATOM 0 H MET A 496 -5.075 -1.552 8.857 1.00 0.22 H new ATOM 0 HA MET A 496 -5.571 -1.347 5.978 1.00 0.21 H new ATOM 0 HB2 MET A 496 -6.294 -3.635 7.762 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.518 -3.086 6.634 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.957 -3.394 4.754 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.690 -3.880 5.863 1.00 0.22 H new ATOM 0 HE1 MET A 496 -5.722 -7.196 3.949 1.00 1.68 H new ATOM 0 HE2 MET A 496 -5.638 -5.530 3.330 1.00 1.68 H new ATOM 0 HE3 MET A 496 -4.357 -6.148 4.400 1.00 1.68 H new ATOM 390 N THR A 497 -7.773 -0.244 6.439 1.00 0.20 N ATOM 391 CA THR A 497 -8.869 0.662 6.702 1.00 0.22 C ATOM 392 C THR A 497 -10.092 0.219 5.907 1.00 0.22 C ATOM 393 O THR A 497 -9.965 -0.261 4.783 1.00 0.20 O ATOM 394 CB THR A 497 -8.476 2.114 6.337 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.532 3.021 6.674 1.00 0.31 O ATOM 396 CG2 THR A 497 -8.141 2.241 4.855 1.00 0.24 C ATOM 0 H THR A 497 -7.618 -0.436 5.449 1.00 0.20 H new ATOM 0 HA THR A 497 -9.106 0.638 7.766 1.00 0.22 H new ATOM 0 HB THR A 497 -7.587 2.369 6.914 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.266 3.934 6.438 1.00 0.31 H new ATOM 0 HG21 THR A 497 -7.869 3.272 4.631 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.305 1.585 4.613 1.00 0.24 H new ATOM 0 HG23 THR A 497 -9.009 1.957 4.260 1.00 0.24 H new ATOM 404 N THR A 498 -11.269 0.336 6.486 1.00 0.28 N ATOM 405 CA THR A 498 -12.473 -0.054 5.784 1.00 0.29 C ATOM 406 C THR A 498 -13.186 1.155 5.208 1.00 0.29 C ATOM 407 O THR A 498 -13.412 2.153 5.899 1.00 0.36 O ATOM 408 CB THR A 498 -13.431 -0.853 6.685 1.00 0.36 C ATOM 409 OG1 THR A 498 -13.358 -0.382 8.039 1.00 0.84 O ATOM 410 CG2 THR A 498 -13.101 -2.334 6.630 1.00 0.67 C ATOM 0 H THR A 498 -11.417 0.694 7.430 1.00 0.28 H new ATOM 0 HA THR A 498 -12.164 -0.703 4.965 1.00 0.29 H new ATOM 0 HB THR A 498 -14.447 -0.707 6.318 1.00 0.36 H new ATOM 0 HG1 THR A 498 -13.974 -0.899 8.599 1.00 0.84 H new ATOM 0 HG21 THR A 498 -13.788 -2.884 7.273 1.00 0.67 H new ATOM 0 HG22 THR A 498 -13.199 -2.691 5.605 1.00 0.67 H new ATOM 0 HG23 THR A 498 -12.078 -2.492 6.973 1.00 0.67 H new ATOM 418 N LEU A 499 -13.528 1.064 3.936 1.00 0.27 N ATOM 419 CA LEU A 499 -14.192 2.155 3.249 1.00 0.31 C ATOM 420 C LEU A 499 -15.620 1.764 2.922 1.00 0.34 C ATOM 421 O LEU A 499 -15.875 0.685 2.384 1.00 0.39 O ATOM 422 CB LEU A 499 -13.446 2.531 1.964 1.00 0.32 C ATOM 423 CG LEU A 499 -12.001 3.002 2.146 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.378 3.332 0.799 1.00 0.34 C ATOM 425 CD2 LEU A 499 -11.939 4.212 3.066 1.00 0.39 C ATOM 0 H LEU A 499 -13.356 0.242 3.356 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.195 3.023 3.908 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.445 1.666 1.300 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.004 3.320 1.460 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.434 2.192 2.606 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.351 3.665 0.945 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.385 2.444 0.168 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -11.951 4.124 0.317 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -10.902 4.529 3.181 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -12.522 5.026 2.636 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -12.348 3.949 4.041 1.00 0.39 H new ATOM 437 N GLU A 500 -16.550 2.633 3.267 1.00 0.54 N ATOM 438 CA GLU A 500 -17.954 2.380 3.015 1.00 0.62 C ATOM 439 C GLU A 500 -18.382 3.085 1.737 1.00 0.79 C ATOM 440 O GLU A 500 -18.130 4.280 1.568 1.00 0.99 O ATOM 441 CB GLU A 500 -18.795 2.853 4.202 1.00 0.80 C ATOM 442 CG GLU A 500 -18.473 2.122 5.497 1.00 1.25 C ATOM 443 CD GLU A 500 -19.188 2.704 6.699 1.00 1.63 C ATOM 444 OE1 GLU A 500 -18.521 3.339 7.543 1.00 2.04 O ATOM 445 OE2 GLU A 500 -20.419 2.527 6.812 1.00 2.21 O ATOM 0 H GLU A 500 -16.357 3.524 3.724 1.00 0.54 H new ATOM 0 HA GLU A 500 -18.110 1.308 2.891 1.00 0.62 H new ATOM 0 HB2 GLU A 500 -18.637 3.922 4.347 1.00 0.80 H new ATOM 0 HB3 GLU A 500 -19.851 2.716 3.968 1.00 0.80 H new ATOM 0 HG2 GLU A 500 -18.746 1.072 5.392 1.00 1.25 H new ATOM 0 HG3 GLU A 500 -17.397 2.156 5.669 1.00 1.25 H new ATOM 452 N ALA A 501 -19.001 2.348 0.829 1.00 0.93 N ATOM 453 CA ALA A 501 -19.431 2.910 -0.434 1.00 1.17 C ATOM 454 C ALA A 501 -20.875 2.534 -0.715 1.00 1.28 C ATOM 455 O ALA A 501 -21.160 1.656 -1.533 1.00 1.32 O ATOM 456 CB ALA A 501 -18.523 2.431 -1.551 1.00 1.29 C ATOM 0 H ALA A 501 -19.216 1.358 0.947 1.00 0.93 H new ATOM 0 HA ALA A 501 -19.368 3.997 -0.378 1.00 1.17 H new ATOM 0 HB1 ALA A 501 -18.854 2.859 -2.497 1.00 1.29 H new ATOM 0 HB2 ALA A 501 -17.499 2.746 -1.348 1.00 1.29 H new ATOM 0 HB3 ALA A 501 -18.562 1.343 -1.611 1.00 1.29 H new ATOM 462 N GLY A 502 -21.784 3.199 -0.025 1.00 1.50 N ATOM 463 CA GLY A 502 -23.187 2.907 -0.186 1.00 1.65 C ATOM 464 C GLY A 502 -23.535 1.529 0.331 1.00 1.94 C ATOM 465 O GLY A 502 -23.245 1.203 1.481 1.00 2.51 O ATOM 0 H GLY A 502 -21.573 3.938 0.646 1.00 1.50 H new ATOM 0 HA2 GLY A 502 -23.777 3.654 0.344 1.00 1.65 H new ATOM 0 HA3 GLY A 502 -23.455 2.978 -1.240 1.00 1.65 H new ATOM 469 N GLY A 503 -24.135 0.714 -0.523 1.00 1.76 N ATOM 470 CA GLY A 503 -24.481 -0.636 -0.132 1.00 2.10 C ATOM 471 C GLY A 503 -23.315 -1.589 -0.281 1.00 1.94 C ATOM 472 O GLY A 503 -23.343 -2.706 0.238 1.00 2.03 O ATOM 0 H GLY A 503 -24.388 0.963 -1.479 1.00 1.76 H new ATOM 0 HA2 GLY A 503 -24.819 -0.637 0.904 1.00 2.10 H new ATOM 0 HA3 GLY A 503 -25.315 -0.986 -0.740 1.00 2.10 H new ATOM 476 N ILE A 504 -22.278 -1.145 -0.979 1.00 1.77 N ATOM 477 CA ILE A 504 -21.123 -1.983 -1.233 1.00 1.65 C ATOM 478 C ILE A 504 -19.957 -1.524 -0.374 1.00 1.24 C ATOM 479 O ILE A 504 -19.378 -0.468 -0.609 1.00 1.16 O ATOM 480 CB ILE A 504 -20.693 -1.958 -2.722 1.00 1.91 C ATOM 481 CG1 ILE A 504 -21.848 -2.368 -3.647 1.00 2.34 C ATOM 482 CG2 ILE A 504 -19.495 -2.873 -2.945 1.00 1.84 C ATOM 483 CD1 ILE A 504 -22.850 -1.265 -3.923 1.00 2.42 C ATOM 0 H ILE A 504 -22.217 -0.208 -1.378 1.00 1.77 H new ATOM 0 HA ILE A 504 -21.406 -3.005 -0.982 1.00 1.65 H new ATOM 0 HB ILE A 504 -20.411 -0.934 -2.967 1.00 1.91 H new ATOM 0 HG12 ILE A 504 -21.434 -2.712 -4.595 1.00 2.34 H new ATOM 0 HG13 ILE A 504 -22.371 -3.214 -3.202 1.00 2.34 H new ATOM 0 HG21 ILE A 504 -19.206 -2.844 -3.995 1.00 1.84 H new ATOM 0 HG22 ILE A 504 -18.661 -2.537 -2.329 1.00 1.84 H new ATOM 0 HG23 ILE A 504 -19.761 -3.894 -2.670 1.00 1.84 H new ATOM 0 HD11 ILE A 504 -23.631 -1.640 -4.584 1.00 2.42 H new ATOM 0 HD12 ILE A 504 -23.296 -0.935 -2.985 1.00 2.42 H new ATOM 0 HD13 ILE A 504 -22.344 -0.425 -4.399 1.00 2.42 H new ATOM 495 N THR A 505 -19.633 -2.307 0.632 1.00 1.06 N ATOM 496 CA THR A 505 -18.527 -1.986 1.509 1.00 0.72 C ATOM 497 C THR A 505 -17.503 -3.108 1.477 1.00 0.65 C ATOM 498 O THR A 505 -17.839 -4.241 1.131 1.00 0.91 O ATOM 499 CB THR A 505 -19.013 -1.750 2.949 1.00 0.78 C ATOM 500 OG1 THR A 505 -19.629 -2.940 3.460 1.00 1.05 O ATOM 501 CG2 THR A 505 -20.015 -0.608 2.994 1.00 0.91 C ATOM 0 H THR A 505 -20.121 -3.172 0.864 1.00 1.06 H new ATOM 0 HA THR A 505 -18.063 -1.065 1.156 1.00 0.72 H new ATOM 0 HB THR A 505 -18.151 -1.491 3.563 1.00 0.78 H new ATOM 0 HG1 THR A 505 -19.934 -2.782 4.378 1.00 1.05 H new ATOM 0 HG21 THR A 505 -20.347 -0.456 4.021 1.00 0.91 H new ATOM 0 HG22 THR A 505 -19.544 0.304 2.626 1.00 0.91 H new ATOM 0 HG23 THR A 505 -20.873 -0.852 2.367 1.00 0.91 H new ATOM 509 N GLY A 506 -16.264 -2.803 1.822 1.00 0.48 N ATOM 510 CA GLY A 506 -15.232 -3.819 1.785 1.00 0.58 C ATOM 511 C GLY A 506 -14.019 -3.453 2.609 1.00 0.45 C ATOM 512 O GLY A 506 -13.992 -2.407 3.264 1.00 0.43 O ATOM 0 H GLY A 506 -15.954 -1.880 2.125 1.00 0.48 H new ATOM 0 HA2 GLY A 506 -15.642 -4.761 2.150 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -14.927 -3.983 0.751 1.00 0.58 H new ATOM 516 N GLU A 507 -13.019 -4.320 2.574 1.00 0.41 N ATOM 517 CA GLU A 507 -11.775 -4.092 3.287 1.00 0.34 C ATOM 518 C GLU A 507 -10.755 -3.450 2.356 1.00 0.27 C ATOM 519 O GLU A 507 -10.634 -3.835 1.191 1.00 0.30 O ATOM 520 CB GLU A 507 -11.230 -5.411 3.832 1.00 0.42 C ATOM 521 CG GLU A 507 -12.210 -6.146 4.735 1.00 0.56 C ATOM 522 CD GLU A 507 -11.613 -7.388 5.365 1.00 0.78 C ATOM 523 OE1 GLU A 507 -11.130 -7.303 6.514 1.00 1.27 O ATOM 524 OE2 GLU A 507 -11.629 -8.458 4.722 1.00 1.63 O ATOM 0 H GLU A 507 -13.048 -5.196 2.053 1.00 0.41 H new ATOM 0 HA GLU A 507 -11.965 -3.420 4.124 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -10.963 -6.058 2.996 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -10.313 -5.214 4.388 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -12.547 -5.472 5.522 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -13.090 -6.426 4.156 1.00 0.56 H new ATOM 531 N TYR A 508 -10.034 -2.462 2.859 1.00 0.21 N ATOM 532 CA TYR A 508 -9.092 -1.727 2.035 1.00 0.17 C ATOM 533 C TYR A 508 -7.742 -1.601 2.706 1.00 0.15 C ATOM 534 O TYR A 508 -7.619 -1.528 3.930 1.00 0.21 O ATOM 535 CB TYR A 508 -9.644 -0.340 1.691 1.00 0.19 C ATOM 536 CG TYR A 508 -10.850 -0.380 0.780 1.00 0.26 C ATOM 537 CD1 TYR A 508 -10.731 -0.106 -0.575 1.00 1.05 C ATOM 538 CD2 TYR A 508 -12.106 -0.697 1.274 1.00 1.38 C ATOM 539 CE1 TYR A 508 -11.830 -0.145 -1.410 1.00 1.02 C ATOM 540 CE2 TYR A 508 -13.210 -0.743 0.448 1.00 1.45 C ATOM 541 CZ TYR A 508 -13.068 -0.466 -0.895 1.00 0.45 C ATOM 542 OH TYR A 508 -14.167 -0.501 -1.725 1.00 0.54 O ATOM 0 H TYR A 508 -10.083 -2.152 3.830 1.00 0.21 H new ATOM 0 HA TYR A 508 -8.955 -2.292 1.113 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.912 0.175 2.614 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.859 0.247 1.215 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -9.762 0.142 -0.983 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -12.222 -0.912 2.326 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -11.720 0.075 -2.462 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -14.180 -0.995 0.851 1.00 1.45 H new ATOM 0 HH TYR A 508 -14.962 -0.745 -1.206 1.00 0.54 H new ATOM 552 N LEU A 509 -6.740 -1.600 1.867 1.00 0.19 N ATOM 553 CA LEU A 509 -5.372 -1.458 2.262 1.00 0.26 C ATOM 554 C LEU A 509 -5.063 0.009 2.501 1.00 0.21 C ATOM 555 O LEU A 509 -5.461 0.865 1.707 1.00 0.19 O ATOM 556 CB LEU A 509 -4.527 -2.052 1.134 1.00 0.43 C ATOM 557 CG LEU A 509 -3.037 -1.759 1.136 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.328 -2.825 0.328 1.00 0.98 C ATOM 559 CD2 LEU A 509 -2.752 -0.396 0.539 1.00 1.06 C ATOM 0 H LEU A 509 -6.862 -1.701 0.859 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.154 -1.979 3.194 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -4.656 -3.134 1.153 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -4.936 -1.699 0.187 1.00 0.43 H new ATOM 0 HG LEU A 509 -2.677 -1.762 2.165 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -1.257 -2.625 0.322 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -2.512 -3.802 0.774 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.704 -2.816 -0.695 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -1.678 -0.210 0.552 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -3.113 -0.366 -0.489 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.260 0.371 1.124 1.00 1.06 H new ATOM 571 N MET A 510 -4.375 0.303 3.590 1.00 0.22 N ATOM 572 CA MET A 510 -3.995 1.668 3.886 1.00 0.21 C ATOM 573 C MET A 510 -2.498 1.844 3.684 1.00 0.17 C ATOM 574 O MET A 510 -1.690 1.120 4.268 1.00 0.23 O ATOM 575 CB MET A 510 -4.379 2.035 5.316 1.00 0.27 C ATOM 576 CG MET A 510 -4.834 3.475 5.464 1.00 0.31 C ATOM 577 SD MET A 510 -5.109 3.951 7.181 1.00 0.50 S ATOM 578 CE MET A 510 -5.633 5.652 6.981 1.00 1.53 C ATOM 0 H MET A 510 -4.070 -0.384 4.280 1.00 0.22 H new ATOM 0 HA MET A 510 -4.528 2.333 3.206 1.00 0.21 H new ATOM 0 HB2 MET A 510 -5.177 1.373 5.652 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.524 1.862 5.970 1.00 0.27 H new ATOM 0 HG2 MET A 510 -4.085 4.134 5.025 1.00 0.31 H new ATOM 0 HG3 MET A 510 -5.756 3.619 4.900 1.00 0.31 H new ATOM 0 HE1 MET A 510 -5.670 6.138 7.956 1.00 1.53 H new ATOM 0 HE2 MET A 510 -4.926 6.178 6.340 1.00 1.53 H new ATOM 0 HE3 MET A 510 -6.623 5.677 6.526 1.00 1.53 H new ATOM 588 N LEU A 511 -2.133 2.785 2.838 1.00 0.15 N ATOM 589 CA LEU A 511 -0.735 3.052 2.549 1.00 0.13 C ATOM 590 C LEU A 511 -0.382 4.493 2.852 1.00 0.14 C ATOM 591 O LEU A 511 -1.226 5.386 2.765 1.00 0.20 O ATOM 592 CB LEU A 511 -0.431 2.729 1.087 1.00 0.17 C ATOM 593 CG LEU A 511 0.468 1.516 0.865 1.00 0.21 C ATOM 594 CD1 LEU A 511 0.159 0.860 -0.463 1.00 0.83 C ATOM 595 CD2 LEU A 511 1.923 1.937 0.900 1.00 0.69 C ATOM 0 H LEU A 511 -2.788 3.383 2.334 1.00 0.15 H new ATOM 0 HA LEU A 511 -0.126 2.414 3.189 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.373 2.564 0.564 1.00 0.17 H new ATOM 0 HB3 LEU A 511 0.040 3.599 0.629 1.00 0.17 H new ATOM 0 HG LEU A 511 0.280 0.797 1.663 1.00 0.21 H new ATOM 0 HD11 LEU A 511 0.810 -0.003 -0.603 1.00 0.83 H new ATOM 0 HD12 LEU A 511 -0.881 0.535 -0.475 1.00 0.83 H new ATOM 0 HD13 LEU A 511 0.325 1.575 -1.269 1.00 0.83 H new ATOM 0 HD21 LEU A 511 2.558 1.065 0.741 1.00 0.69 H new ATOM 0 HD22 LEU A 511 2.109 2.670 0.115 1.00 0.69 H new ATOM 0 HD23 LEU A 511 2.151 2.379 1.870 1.00 0.69 H new ATOM 607 N THR A 512 0.868 4.705 3.221 1.00 0.15 N ATOM 608 CA THR A 512 1.358 6.030 3.525 1.00 0.19 C ATOM 609 C THR A 512 2.598 6.334 2.698 1.00 0.16 C ATOM 610 O THR A 512 3.622 5.663 2.820 1.00 0.21 O ATOM 611 CB THR A 512 1.688 6.169 5.019 1.00 0.28 C ATOM 612 OG1 THR A 512 1.189 5.031 5.735 1.00 0.58 O ATOM 613 CG2 THR A 512 1.066 7.432 5.582 1.00 0.55 C ATOM 0 H THR A 512 1.565 3.967 3.317 1.00 0.15 H new ATOM 0 HA THR A 512 0.572 6.743 3.276 1.00 0.19 H new ATOM 0 HB THR A 512 2.771 6.226 5.132 1.00 0.28 H new ATOM 0 HG1 THR A 512 1.403 5.124 6.687 1.00 0.58 H new ATOM 0 HG21 THR A 512 1.309 7.516 6.641 1.00 0.55 H new ATOM 0 HG22 THR A 512 1.458 8.299 5.050 1.00 0.55 H new ATOM 0 HG23 THR A 512 -0.016 7.390 5.460 1.00 0.55 H new ATOM 621 N TYR A 513 2.492 7.326 1.838 1.00 0.16 N ATOM 622 CA TYR A 513 3.598 7.722 0.991 1.00 0.19 C ATOM 623 C TYR A 513 4.350 8.880 1.632 1.00 0.24 C ATOM 624 O TYR A 513 4.166 9.159 2.820 1.00 0.27 O ATOM 625 CB TYR A 513 3.089 8.112 -0.399 1.00 0.21 C ATOM 626 CG TYR A 513 2.759 6.935 -1.293 1.00 0.19 C ATOM 627 CD1 TYR A 513 3.296 6.843 -2.573 1.00 1.10 C ATOM 628 CD2 TYR A 513 1.913 5.922 -0.865 1.00 1.12 C ATOM 629 CE1 TYR A 513 2.997 5.776 -3.397 1.00 1.08 C ATOM 630 CE2 TYR A 513 1.613 4.851 -1.682 1.00 1.16 C ATOM 631 CZ TYR A 513 2.155 4.783 -2.947 1.00 0.24 C ATOM 632 OH TYR A 513 1.847 3.722 -3.768 1.00 0.28 O ATOM 0 H TYR A 513 1.644 7.877 1.707 1.00 0.16 H new ATOM 0 HA TYR A 513 4.281 6.880 0.880 1.00 0.19 H new ATOM 0 HB2 TYR A 513 2.198 8.730 -0.287 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.843 8.727 -0.890 1.00 0.21 H new ATOM 0 HD1 TYR A 513 3.958 7.619 -2.928 1.00 1.10 H new ATOM 0 HD2 TYR A 513 1.482 5.972 0.124 1.00 1.12 H new ATOM 0 HE1 TYR A 513 3.421 5.720 -4.389 1.00 1.08 H new ATOM 0 HE2 TYR A 513 0.956 4.069 -1.331 1.00 1.16 H new ATOM 0 HH TYR A 513 2.635 3.479 -4.298 1.00 0.28 H new ATOM 642 N ALA A 514 5.195 9.542 0.858 1.00 0.28 N ATOM 643 CA ALA A 514 5.935 10.690 1.352 1.00 0.33 C ATOM 644 C ALA A 514 4.982 11.794 1.776 1.00 0.31 C ATOM 645 O ALA A 514 3.857 11.876 1.278 1.00 0.31 O ATOM 646 CB ALA A 514 6.889 11.202 0.292 1.00 0.43 C ATOM 0 H ALA A 514 5.385 9.303 -0.115 1.00 0.28 H new ATOM 0 HA ALA A 514 6.514 10.377 2.220 1.00 0.33 H new ATOM 0 HB1 ALA A 514 7.435 12.062 0.679 1.00 0.43 H new ATOM 0 HB2 ALA A 514 7.594 10.414 0.026 1.00 0.43 H new ATOM 0 HB3 ALA A 514 6.325 11.498 -0.592 1.00 0.43 H new ATOM 652 N ASN A 515 5.438 12.626 2.709 1.00 0.36 N ATOM 653 CA ASN A 515 4.634 13.725 3.244 1.00 0.40 C ATOM 654 C ASN A 515 3.425 13.175 3.996 1.00 0.39 C ATOM 655 O ASN A 515 2.435 13.881 4.205 1.00 0.44 O ATOM 656 CB ASN A 515 4.163 14.669 2.128 1.00 0.43 C ATOM 657 CG ASN A 515 5.286 15.190 1.249 1.00 1.29 C ATOM 658 OD1 ASN A 515 6.429 15.338 1.684 1.00 2.26 O ATOM 659 ND2 ASN A 515 4.963 15.468 -0.005 1.00 1.69 N ATOM 0 H ASN A 515 6.371 12.559 3.115 1.00 0.36 H new ATOM 0 HA ASN A 515 5.262 14.293 3.930 1.00 0.40 H new ATOM 0 HB2 ASN A 515 3.439 14.145 1.504 1.00 0.43 H new ATOM 0 HB3 ASN A 515 3.643 15.516 2.577 1.00 0.43 H new ATOM 0 HD21 ASN A 515 5.672 15.818 -0.649 1.00 1.69 H new ATOM 0 HD22 ASN A 515 4.005 15.332 -0.327 1.00 1.69 H new ATOM 666 N ASP A 516 3.524 11.905 4.395 1.00 0.36 N ATOM 667 CA ASP A 516 2.437 11.189 5.062 1.00 0.37 C ATOM 668 C ASP A 516 1.176 11.219 4.200 1.00 0.34 C ATOM 669 O ASP A 516 0.074 11.494 4.680 1.00 0.41 O ATOM 670 CB ASP A 516 2.156 11.781 6.448 1.00 0.45 C ATOM 671 CG ASP A 516 1.611 10.751 7.421 1.00 0.89 C ATOM 672 OD1 ASP A 516 2.384 10.272 8.280 1.00 1.60 O ATOM 673 OD2 ASP A 516 0.416 10.410 7.341 1.00 1.62 O ATOM 0 H ASP A 516 4.365 11.343 4.263 1.00 0.36 H new ATOM 0 HA ASP A 516 2.744 10.152 5.197 1.00 0.37 H new ATOM 0 HB2 ASP A 516 3.075 12.206 6.851 1.00 0.45 H new ATOM 0 HB3 ASP A 516 1.442 12.599 6.352 1.00 0.45 H new ATOM 678 N ALA A 517 1.353 10.960 2.913 1.00 0.31 N ATOM 679 CA ALA A 517 0.240 10.940 1.974 1.00 0.30 C ATOM 680 C ALA A 517 -0.539 9.637 2.104 1.00 0.25 C ATOM 681 O ALA A 517 0.047 8.581 2.344 1.00 0.23 O ATOM 682 CB ALA A 517 0.745 11.129 0.553 1.00 0.32 C ATOM 0 H ALA A 517 2.261 10.760 2.493 1.00 0.31 H new ATOM 0 HA ALA A 517 -0.433 11.765 2.210 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.098 11.112 -0.138 1.00 0.32 H new ATOM 0 HB2 ALA A 517 1.260 12.087 0.474 1.00 0.32 H new ATOM 0 HB3 ALA A 517 1.436 10.324 0.302 1.00 0.32 H new ATOM 688 N LYS A 518 -1.851 9.709 1.936 1.00 0.28 N ATOM 689 CA LYS A 518 -2.713 8.562 2.186 1.00 0.28 C ATOM 690 C LYS A 518 -3.068 7.844 0.892 1.00 0.24 C ATOM 691 O LYS A 518 -3.389 8.477 -0.115 1.00 0.38 O ATOM 692 CB LYS A 518 -4.001 8.998 2.888 1.00 0.41 C ATOM 693 CG LYS A 518 -3.778 9.768 4.181 1.00 0.56 C ATOM 694 CD LYS A 518 -2.903 8.994 5.152 1.00 0.64 C ATOM 695 CE LYS A 518 -2.832 9.688 6.500 1.00 0.99 C ATOM 696 NZ LYS A 518 -1.842 9.047 7.399 1.00 1.55 N ATOM 0 H LYS A 518 -2.342 10.548 1.628 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.161 7.876 2.829 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -4.582 9.618 2.205 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -4.601 8.114 3.104 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -3.312 10.728 3.957 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -4.740 9.981 4.648 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -3.299 7.987 5.279 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -1.899 8.892 4.739 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -2.567 10.735 6.356 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -3.815 9.670 6.970 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -2.304 8.783 8.292 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -1.459 8.195 6.942 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -1.068 9.713 7.594 1.00 1.55 H new ATOM 710 N LEU A 519 -3.006 6.522 0.931 1.00 0.16 N ATOM 711 CA LEU A 519 -3.413 5.698 -0.194 1.00 0.15 C ATOM 712 C LEU A 519 -4.329 4.578 0.278 1.00 0.14 C ATOM 713 O LEU A 519 -4.087 3.974 1.322 1.00 0.21 O ATOM 714 CB LEU A 519 -2.193 5.091 -0.890 1.00 0.20 C ATOM 715 CG LEU A 519 -2.519 4.103 -2.013 1.00 0.25 C ATOM 716 CD1 LEU A 519 -3.188 4.819 -3.175 1.00 0.89 C ATOM 717 CD2 LEU A 519 -1.268 3.379 -2.475 1.00 0.72 C ATOM 0 H LEU A 519 -2.674 5.994 1.738 1.00 0.16 H new ATOM 0 HA LEU A 519 -3.947 6.333 -0.901 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.587 5.899 -1.301 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.582 4.582 -0.144 1.00 0.20 H new ATOM 0 HG LEU A 519 -3.214 3.359 -1.623 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -3.412 4.101 -3.964 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -4.113 5.283 -2.833 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -2.519 5.587 -3.563 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -1.525 2.682 -3.273 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -0.544 4.104 -2.845 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -0.836 2.829 -1.639 1.00 0.72 H new ATOM 729 N TYR A 520 -5.384 4.313 -0.480 1.00 0.12 N ATOM 730 CA TYR A 520 -6.275 3.203 -0.182 1.00 0.14 C ATOM 731 C TYR A 520 -6.370 2.275 -1.381 1.00 0.16 C ATOM 732 O TYR A 520 -6.615 2.723 -2.505 1.00 0.22 O ATOM 733 CB TYR A 520 -7.670 3.705 0.187 1.00 0.19 C ATOM 734 CG TYR A 520 -7.667 4.798 1.230 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.078 4.597 2.470 1.00 0.96 C ATOM 736 CD2 TYR A 520 -8.251 6.030 0.971 1.00 1.05 C ATOM 737 CE1 TYR A 520 -7.068 5.596 3.423 1.00 0.97 C ATOM 738 CE2 TYR A 520 -8.248 7.032 1.920 1.00 1.10 C ATOM 739 CZ TYR A 520 -7.653 6.811 3.143 1.00 0.40 C ATOM 740 OH TYR A 520 -7.643 7.809 4.093 1.00 0.50 O ATOM 0 H TYR A 520 -5.643 4.852 -1.306 1.00 0.12 H new ATOM 0 HA TYR A 520 -5.865 2.659 0.669 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.163 4.075 -0.712 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.263 2.867 0.554 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -6.620 3.645 2.693 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -8.715 6.207 0.012 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -6.604 5.426 4.383 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -8.710 7.984 1.705 1.00 1.10 H new ATOM 0 HH TYR A 520 -8.095 8.603 3.738 1.00 0.50 H new ATOM 750 N VAL A 521 -6.158 0.992 -1.148 1.00 0.17 N ATOM 751 CA VAL A 521 -6.221 0.000 -2.211 1.00 0.17 C ATOM 752 C VAL A 521 -7.197 -1.112 -1.846 1.00 0.18 C ATOM 753 O VAL A 521 -7.128 -1.668 -0.752 1.00 0.20 O ATOM 754 CB VAL A 521 -4.831 -0.618 -2.490 1.00 0.19 C ATOM 755 CG1 VAL A 521 -4.914 -1.665 -3.591 1.00 0.33 C ATOM 756 CG2 VAL A 521 -3.824 0.463 -2.853 1.00 0.28 C ATOM 0 H VAL A 521 -5.940 0.609 -0.228 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.565 0.510 -3.111 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.491 -1.110 -1.579 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -3.924 -2.085 -3.769 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.596 -2.459 -3.287 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.282 -1.202 -4.507 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -2.853 0.006 -3.045 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.161 0.989 -3.746 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -3.735 1.170 -2.028 1.00 0.28 H new ATOM 766 N PRO A 522 -8.132 -1.438 -2.745 1.00 0.19 N ATOM 767 CA PRO A 522 -9.075 -2.535 -2.527 1.00 0.22 C ATOM 768 C PRO A 522 -8.360 -3.882 -2.486 1.00 0.20 C ATOM 769 O PRO A 522 -7.486 -4.156 -3.312 1.00 0.19 O ATOM 770 CB PRO A 522 -10.015 -2.456 -3.733 1.00 0.25 C ATOM 771 CG PRO A 522 -9.256 -1.710 -4.776 1.00 0.22 C ATOM 772 CD PRO A 522 -8.342 -0.770 -4.042 1.00 0.19 C ATOM 0 HA PRO A 522 -9.598 -2.450 -1.574 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.290 -3.451 -4.083 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -10.941 -1.941 -3.477 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -8.686 -2.393 -5.406 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -9.933 -1.162 -5.431 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.403 -0.625 -4.576 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -8.794 0.214 -3.918 1.00 0.19 H new ATOM 780 N VAL A 523 -8.733 -4.724 -1.526 1.00 0.22 N ATOM 781 CA VAL A 523 -8.081 -6.021 -1.345 1.00 0.24 C ATOM 782 C VAL A 523 -8.379 -6.969 -2.505 1.00 0.25 C ATOM 783 O VAL A 523 -7.814 -8.058 -2.594 1.00 0.32 O ATOM 784 CB VAL A 523 -8.490 -6.693 -0.018 1.00 0.29 C ATOM 785 CG1 VAL A 523 -7.988 -5.882 1.167 1.00 0.31 C ATOM 786 CG2 VAL A 523 -9.999 -6.877 0.054 1.00 0.30 C ATOM 0 H VAL A 523 -9.483 -4.533 -0.861 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.010 -5.820 -1.318 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.029 -7.680 0.021 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -8.286 -6.371 2.095 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -6.901 -5.812 1.126 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.417 -4.881 1.131 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -10.263 -7.353 0.999 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -10.488 -5.905 -0.012 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -10.329 -7.505 -0.773 1.00 0.30 H new ATOM 796 N SER A 524 -9.266 -6.548 -3.391 1.00 0.24 N ATOM 797 CA SER A 524 -9.584 -7.311 -4.582 1.00 0.28 C ATOM 798 C SER A 524 -8.640 -6.944 -5.727 1.00 0.28 C ATOM 799 O SER A 524 -8.651 -7.571 -6.784 1.00 0.37 O ATOM 800 CB SER A 524 -11.038 -7.057 -4.974 1.00 0.36 C ATOM 801 OG SER A 524 -11.361 -5.681 -4.830 1.00 1.34 O ATOM 0 H SER A 524 -9.782 -5.673 -3.304 1.00 0.24 H new ATOM 0 HA SER A 524 -9.453 -8.373 -4.372 1.00 0.28 H new ATOM 0 HB2 SER A 524 -11.202 -7.369 -6.006 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.699 -7.659 -4.350 1.00 0.36 H new ATOM 0 HG SER A 524 -12.295 -5.536 -5.087 1.00 1.34 H new ATOM 807 N SER A 525 -7.807 -5.935 -5.498 1.00 0.24 N ATOM 808 CA SER A 525 -6.864 -5.466 -6.504 1.00 0.25 C ATOM 809 C SER A 525 -5.423 -5.615 -6.011 1.00 0.24 C ATOM 810 O SER A 525 -4.523 -4.904 -6.458 1.00 0.27 O ATOM 811 CB SER A 525 -7.156 -4.007 -6.855 1.00 0.27 C ATOM 812 OG SER A 525 -8.503 -3.843 -7.276 1.00 0.28 O ATOM 0 H SER A 525 -7.767 -5.423 -4.617 1.00 0.24 H new ATOM 0 HA SER A 525 -6.982 -6.077 -7.399 1.00 0.25 H new ATOM 0 HB2 SER A 525 -6.963 -3.375 -5.988 1.00 0.27 H new ATOM 0 HB3 SER A 525 -6.482 -3.678 -7.646 1.00 0.27 H new ATOM 0 HG SER A 525 -8.666 -2.901 -7.493 1.00 0.28 H new ATOM 818 N LEU A 526 -5.211 -6.552 -5.095 1.00 0.25 N ATOM 819 CA LEU A 526 -3.898 -6.758 -4.486 1.00 0.26 C ATOM 820 C LEU A 526 -2.866 -7.247 -5.499 1.00 0.30 C ATOM 821 O LEU A 526 -1.666 -7.099 -5.286 1.00 0.39 O ATOM 822 CB LEU A 526 -4.003 -7.732 -3.311 1.00 0.31 C ATOM 823 CG LEU A 526 -4.662 -7.154 -2.058 1.00 0.38 C ATOM 824 CD1 LEU A 526 -4.768 -8.211 -0.970 1.00 0.51 C ATOM 825 CD2 LEU A 526 -3.879 -5.948 -1.558 1.00 0.46 C ATOM 0 H LEU A 526 -5.934 -7.186 -4.755 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.554 -5.792 -4.117 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -4.569 -8.607 -3.632 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.002 -8.077 -3.052 1.00 0.31 H new ATOM 0 HG LEU A 526 -5.670 -6.831 -2.317 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -5.240 -7.779 -0.087 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -5.369 -9.046 -1.331 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -3.771 -8.568 -0.711 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -4.359 -5.547 -0.666 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -2.860 -6.250 -1.317 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -3.856 -5.182 -2.333 1.00 0.46 H new ATOM 837 N HIS A 527 -3.325 -7.796 -6.615 1.00 0.31 N ATOM 838 CA HIS A 527 -2.417 -8.256 -7.663 1.00 0.41 C ATOM 839 C HIS A 527 -1.745 -7.062 -8.348 1.00 0.44 C ATOM 840 O HIS A 527 -0.798 -7.221 -9.119 1.00 0.64 O ATOM 841 CB HIS A 527 -3.176 -9.109 -8.688 1.00 0.50 C ATOM 842 CG HIS A 527 -2.297 -9.798 -9.694 1.00 1.49 C ATOM 843 ND1 HIS A 527 -2.685 -10.034 -10.995 1.00 2.24 N ATOM 844 CD2 HIS A 527 -1.051 -10.320 -9.577 1.00 2.53 C ATOM 845 CE1 HIS A 527 -1.721 -10.668 -11.635 1.00 3.18 C ATOM 846 NE2 HIS A 527 -0.718 -10.853 -10.797 1.00 3.40 N ATOM 0 H HIS A 527 -4.315 -7.934 -6.820 1.00 0.31 H new ATOM 0 HA HIS A 527 -1.642 -8.872 -7.208 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -3.758 -9.862 -8.156 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -3.885 -8.473 -9.218 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -0.436 -10.317 -8.689 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -1.748 -10.982 -12.668 1.00 3.18 H new ATOM 0 HE2 HIS A 527 0.162 -11.317 -11.020 1.00 3.40 H new ATOM 855 N LEU A 528 -2.240 -5.867 -8.054 1.00 0.33 N ATOM 856 CA LEU A 528 -1.685 -4.643 -8.615 1.00 0.38 C ATOM 857 C LEU A 528 -0.666 -4.024 -7.656 1.00 0.41 C ATOM 858 O LEU A 528 -0.052 -2.995 -7.953 1.00 0.57 O ATOM 859 CB LEU A 528 -2.804 -3.647 -8.908 1.00 0.36 C ATOM 860 CG LEU A 528 -3.947 -4.175 -9.777 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.977 -3.082 -10.013 1.00 0.34 C ATOM 862 CD2 LEU A 528 -3.417 -4.704 -11.102 1.00 0.42 C ATOM 0 H LEU A 528 -3.030 -5.719 -7.426 1.00 0.33 H new ATOM 0 HA LEU A 528 -1.176 -4.889 -9.547 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -3.220 -3.306 -7.960 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -2.371 -2.775 -9.399 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.428 -4.999 -9.250 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.785 -3.471 -10.633 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -5.381 -2.750 -9.057 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -4.505 -2.240 -10.519 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -4.247 -5.074 -11.704 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.910 -3.901 -11.638 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.714 -5.516 -10.915 1.00 0.42 H new ATOM 874 N ILE A 529 -0.525 -4.642 -6.491 1.00 0.31 N ATOM 875 CA ILE A 529 0.472 -4.251 -5.507 1.00 0.29 C ATOM 876 C ILE A 529 1.627 -5.245 -5.539 1.00 0.31 C ATOM 877 O ILE A 529 1.469 -6.346 -6.053 1.00 0.42 O ATOM 878 CB ILE A 529 -0.156 -4.247 -4.097 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.431 -3.411 -4.106 1.00 0.32 C ATOM 880 CG2 ILE A 529 0.819 -3.723 -3.046 1.00 0.33 C ATOM 881 CD1 ILE A 529 -1.183 -1.917 -4.167 1.00 0.43 C ATOM 0 H ILE A 529 -1.102 -5.432 -6.202 1.00 0.31 H new ATOM 0 HA ILE A 529 0.836 -3.251 -5.742 1.00 0.29 H new ATOM 0 HB ILE A 529 -0.398 -5.276 -3.830 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -2.040 -3.704 -4.961 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -2.009 -3.638 -3.210 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.340 -3.736 -2.067 1.00 0.33 H new ATOM 0 HG22 ILE A 529 1.706 -4.356 -3.024 1.00 0.33 H new ATOM 0 HG23 ILE A 529 1.108 -2.702 -3.295 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -2.137 -1.390 -4.170 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.601 -1.609 -3.298 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.633 -1.676 -5.077 1.00 0.43 H new ATOM 893 N SER A 530 2.782 -4.857 -5.026 1.00 0.31 N ATOM 894 CA SER A 530 3.902 -5.773 -4.889 1.00 0.37 C ATOM 895 C SER A 530 4.827 -5.270 -3.803 1.00 0.31 C ATOM 896 O SER A 530 4.884 -4.075 -3.536 1.00 0.35 O ATOM 897 CB SER A 530 4.657 -5.905 -6.216 1.00 0.45 C ATOM 898 OG SER A 530 5.341 -7.145 -6.296 1.00 0.99 O ATOM 0 H SER A 530 2.969 -3.910 -4.696 1.00 0.31 H new ATOM 0 HA SER A 530 3.527 -6.759 -4.616 1.00 0.37 H new ATOM 0 HB2 SER A 530 3.956 -5.819 -7.046 1.00 0.45 H new ATOM 0 HB3 SER A 530 5.370 -5.086 -6.315 1.00 0.45 H new ATOM 0 HG SER A 530 5.813 -7.204 -7.153 1.00 0.99 H new ATOM 904 N ARG A 531 5.533 -6.179 -3.160 1.00 0.39 N ATOM 905 CA ARG A 531 6.411 -5.800 -2.078 1.00 0.42 C ATOM 906 C ARG A 531 7.782 -5.447 -2.628 1.00 0.36 C ATOM 907 O ARG A 531 8.241 -6.045 -3.603 1.00 0.41 O ATOM 908 CB ARG A 531 6.521 -6.924 -1.052 1.00 0.57 C ATOM 909 CG ARG A 531 6.987 -6.425 0.299 1.00 0.54 C ATOM 910 CD ARG A 531 7.146 -7.550 1.312 1.00 0.95 C ATOM 911 NE ARG A 531 8.194 -8.497 0.934 1.00 1.31 N ATOM 912 CZ ARG A 531 9.273 -8.758 1.677 1.00 1.92 C ATOM 913 NH1 ARG A 531 9.490 -8.100 2.815 1.00 2.47 N ATOM 914 NH2 ARG A 531 10.150 -9.666 1.271 1.00 2.51 N ATOM 0 H ARG A 531 5.515 -7.177 -3.368 1.00 0.39 H new ATOM 0 HA ARG A 531 5.993 -4.926 -1.578 1.00 0.42 H new ATOM 0 HB2 ARG A 531 5.551 -7.409 -0.943 1.00 0.57 H new ATOM 0 HB3 ARG A 531 7.216 -7.680 -1.417 1.00 0.57 H new ATOM 0 HG2 ARG A 531 7.939 -5.907 0.183 1.00 0.54 H new ATOM 0 HG3 ARG A 531 6.272 -5.696 0.680 1.00 0.54 H new ATOM 0 HD2 ARG A 531 7.379 -7.126 2.289 1.00 0.95 H new ATOM 0 HD3 ARG A 531 6.199 -8.081 1.413 1.00 0.95 H new ATOM 0 HE ARG A 531 8.095 -8.990 0.046 1.00 1.31 H new ATOM 0 HH11 ARG A 531 8.829 -7.389 3.127 1.00 2.47 H new ATOM 0 HH12 ARG A 531 10.317 -8.308 3.374 1.00 2.47 H new ATOM 0 HH21 ARG A 531 10.000 -10.163 0.393 1.00 2.51 H new ATOM 0 HH22 ARG A 531 10.975 -9.867 1.837 1.00 2.51 H new ATOM 928 N TYR A 532 8.424 -4.465 -2.015 1.00 0.37 N ATOM 929 CA TYR A 532 9.734 -4.022 -2.456 1.00 0.50 C ATOM 930 C TYR A 532 10.792 -5.034 -2.033 1.00 0.77 C ATOM 931 O TYR A 532 11.383 -4.922 -0.958 1.00 1.57 O ATOM 932 CB TYR A 532 10.048 -2.643 -1.877 1.00 0.57 C ATOM 933 CG TYR A 532 10.832 -1.759 -2.818 1.00 0.48 C ATOM 934 CD1 TYR A 532 10.182 -0.833 -3.622 1.00 1.43 C ATOM 935 CD2 TYR A 532 12.213 -1.854 -2.912 1.00 1.15 C ATOM 936 CE1 TYR A 532 10.885 -0.024 -4.493 1.00 1.48 C ATOM 937 CE2 TYR A 532 12.925 -1.048 -3.780 1.00 1.24 C ATOM 938 CZ TYR A 532 12.256 -0.134 -4.569 1.00 0.77 C ATOM 939 OH TYR A 532 12.958 0.669 -5.437 1.00 1.01 O ATOM 0 H TYR A 532 8.057 -3.960 -1.209 1.00 0.37 H new ATOM 0 HA TYR A 532 9.737 -3.946 -3.543 1.00 0.50 H new ATOM 0 HB2 TYR A 532 9.114 -2.145 -1.617 1.00 0.57 H new ATOM 0 HB3 TYR A 532 10.612 -2.766 -0.952 1.00 0.57 H new ATOM 0 HD1 TYR A 532 9.107 -0.743 -3.565 1.00 1.43 H new ATOM 0 HD2 TYR A 532 12.740 -2.569 -2.297 1.00 1.15 H new ATOM 0 HE1 TYR A 532 10.363 0.691 -5.111 1.00 1.48 H new ATOM 0 HE2 TYR A 532 14.000 -1.133 -3.841 1.00 1.24 H new ATOM 0 HH TYR A 532 13.915 0.467 -5.368 1.00 1.01 H new ATOM 949 N ALA A 533 11.003 -6.031 -2.878 1.00 0.88 N ATOM 950 CA ALA A 533 11.926 -7.113 -2.580 1.00 1.11 C ATOM 951 C ALA A 533 13.374 -6.674 -2.758 1.00 1.43 C ATOM 952 O ALA A 533 13.960 -6.823 -3.834 1.00 1.88 O ATOM 953 CB ALA A 533 11.617 -8.318 -3.453 1.00 1.66 C ATOM 0 H ALA A 533 10.542 -6.112 -3.784 1.00 0.88 H new ATOM 0 HA ALA A 533 11.795 -7.393 -1.535 1.00 1.11 H new ATOM 0 HB1 ALA A 533 12.314 -9.123 -3.222 1.00 1.66 H new ATOM 0 HB2 ALA A 533 10.598 -8.654 -3.262 1.00 1.66 H new ATOM 0 HB3 ALA A 533 11.717 -8.042 -4.503 1.00 1.66 H new ATOM 959 N GLY A 534 13.933 -6.111 -1.702 1.00 1.85 N ATOM 960 CA GLY A 534 15.332 -5.749 -1.692 1.00 2.51 C ATOM 961 C GLY A 534 15.929 -5.954 -0.319 1.00 2.55 C ATOM 962 O GLY A 534 15.205 -5.890 0.676 1.00 3.23 O ATOM 0 H GLY A 534 13.434 -5.895 -0.839 1.00 1.85 H new ATOM 0 HA2 GLY A 534 15.873 -6.350 -2.422 1.00 2.51 H new ATOM 0 HA3 GLY A 534 15.445 -4.707 -1.991 1.00 2.51 H new ATOM 966 N GLY A 535 17.229 -6.214 -0.259 1.00 2.26 N ATOM 967 CA GLY A 535 17.884 -6.450 1.017 1.00 2.32 C ATOM 968 C GLY A 535 17.710 -5.285 1.970 1.00 1.64 C ATOM 969 O GLY A 535 17.284 -5.461 3.113 1.00 1.87 O ATOM 0 H GLY A 535 17.844 -6.266 -1.071 1.00 2.26 H new ATOM 0 HA2 GLY A 535 17.477 -7.354 1.471 1.00 2.32 H new ATOM 0 HA3 GLY A 535 18.947 -6.627 0.851 1.00 2.32 H new ATOM 973 N ALA A 536 18.019 -4.093 1.488 1.00 1.36 N ATOM 974 CA ALA A 536 17.854 -2.881 2.271 1.00 1.04 C ATOM 975 C ALA A 536 16.418 -2.378 2.182 1.00 0.86 C ATOM 976 O ALA A 536 16.146 -1.350 1.559 1.00 0.93 O ATOM 977 CB ALA A 536 18.823 -1.812 1.791 1.00 1.69 C ATOM 0 H ALA A 536 18.389 -3.939 0.550 1.00 1.36 H new ATOM 0 HA ALA A 536 18.073 -3.108 3.314 1.00 1.04 H new ATOM 0 HB1 ALA A 536 18.691 -0.908 2.385 1.00 1.69 H new ATOM 0 HB2 ALA A 536 19.846 -2.172 1.901 1.00 1.69 H new ATOM 0 HB3 ALA A 536 18.628 -1.589 0.742 1.00 1.69 H new ATOM 983 N GLU A 537 15.503 -3.107 2.810 1.00 0.77 N ATOM 984 CA GLU A 537 14.087 -2.754 2.782 1.00 0.79 C ATOM 985 C GLU A 537 13.830 -1.442 3.521 1.00 0.66 C ATOM 986 O GLU A 537 12.894 -0.713 3.200 1.00 0.68 O ATOM 987 CB GLU A 537 13.237 -3.881 3.382 1.00 1.03 C ATOM 988 CG GLU A 537 13.650 -4.289 4.789 1.00 1.51 C ATOM 989 CD GLU A 537 12.708 -5.304 5.404 1.00 2.08 C ATOM 990 OE1 GLU A 537 12.983 -6.520 5.306 1.00 2.73 O ATOM 991 OE2 GLU A 537 11.689 -4.893 5.998 1.00 2.51 O ATOM 0 H GLU A 537 15.716 -3.948 3.346 1.00 0.77 H new ATOM 0 HA GLU A 537 13.798 -2.617 1.740 1.00 0.79 H new ATOM 0 HB2 GLU A 537 12.194 -3.566 3.398 1.00 1.03 H new ATOM 0 HB3 GLU A 537 13.296 -4.753 2.730 1.00 1.03 H new ATOM 0 HG2 GLU A 537 14.657 -4.704 4.761 1.00 1.51 H new ATOM 0 HG3 GLU A 537 13.688 -3.403 5.423 1.00 1.51 H new ATOM 998 N GLU A 538 14.674 -1.136 4.500 1.00 0.73 N ATOM 999 CA GLU A 538 14.533 0.092 5.273 1.00 0.90 C ATOM 1000 C GLU A 538 15.042 1.290 4.477 1.00 0.90 C ATOM 1001 O GLU A 538 14.747 2.439 4.808 1.00 1.09 O ATOM 1002 CB GLU A 538 15.293 -0.003 6.599 1.00 1.12 C ATOM 1003 CG GLU A 538 15.044 -1.294 7.362 1.00 2.06 C ATOM 1004 CD GLU A 538 16.097 -2.350 7.085 1.00 2.73 C ATOM 1005 OE1 GLU A 538 16.606 -2.946 8.055 1.00 3.26 O ATOM 1006 OE2 GLU A 538 16.440 -2.571 5.902 1.00 3.34 O ATOM 0 H GLU A 538 15.462 -1.721 4.777 1.00 0.73 H new ATOM 0 HA GLU A 538 13.473 0.228 5.486 1.00 0.90 H new ATOM 0 HB2 GLU A 538 16.361 0.090 6.402 1.00 1.12 H new ATOM 0 HB3 GLU A 538 15.010 0.840 7.229 1.00 1.12 H new ATOM 0 HG2 GLU A 538 15.021 -1.081 8.431 1.00 2.06 H new ATOM 0 HG3 GLU A 538 14.063 -1.686 7.094 1.00 2.06 H new ATOM 1013 N ASN A 539 15.805 1.018 3.426 1.00 0.84 N ATOM 1014 CA ASN A 539 16.355 2.077 2.587 1.00 1.00 C ATOM 1015 C ASN A 539 15.521 2.223 1.317 1.00 0.82 C ATOM 1016 O ASN A 539 15.920 2.890 0.361 1.00 0.94 O ATOM 1017 CB ASN A 539 17.816 1.782 2.229 1.00 1.28 C ATOM 1018 CG ASN A 539 18.520 2.980 1.609 1.00 1.84 C ATOM 1019 OD1 ASN A 539 18.244 4.130 1.953 1.00 2.35 O ATOM 1020 ND2 ASN A 539 19.429 2.718 0.684 1.00 2.52 N ATOM 0 H ASN A 539 16.057 0.074 3.134 1.00 0.84 H new ATOM 0 HA ASN A 539 16.321 3.013 3.145 1.00 1.00 H new ATOM 0 HB2 ASN A 539 18.352 1.476 3.128 1.00 1.28 H new ATOM 0 HB3 ASN A 539 17.854 0.943 1.534 1.00 1.28 H new ATOM 0 HD21 ASN A 539 19.929 3.482 0.229 1.00 2.52 H new ATOM 0 HD22 ASN A 539 19.630 1.752 0.426 1.00 2.52 H new ATOM 1027 N ALA A 540 14.359 1.583 1.313 1.00 0.59 N ATOM 1028 CA ALA A 540 13.445 1.671 0.186 1.00 0.51 C ATOM 1029 C ALA A 540 12.954 3.104 0.016 1.00 0.47 C ATOM 1030 O ALA A 540 12.636 3.779 0.997 1.00 0.51 O ATOM 1031 CB ALA A 540 12.271 0.726 0.385 1.00 0.47 C ATOM 0 H ALA A 540 14.028 0.997 2.080 1.00 0.59 H new ATOM 0 HA ALA A 540 13.976 1.377 -0.720 1.00 0.51 H new ATOM 0 HB1 ALA A 540 11.594 0.802 -0.466 1.00 0.47 H new ATOM 0 HB2 ALA A 540 12.637 -0.297 0.467 1.00 0.47 H new ATOM 0 HB3 ALA A 540 11.738 0.995 1.297 1.00 0.47 H new ATOM 1037 N PRO A 541 12.890 3.582 -1.232 1.00 0.46 N ATOM 1038 CA PRO A 541 12.500 4.962 -1.532 1.00 0.45 C ATOM 1039 C PRO A 541 11.069 5.267 -1.104 1.00 0.45 C ATOM 1040 O PRO A 541 10.253 4.360 -0.922 1.00 0.60 O ATOM 1041 CB PRO A 541 12.638 5.059 -3.054 1.00 0.49 C ATOM 1042 CG PRO A 541 12.592 3.652 -3.541 1.00 0.53 C ATOM 1043 CD PRO A 541 13.185 2.812 -2.451 1.00 0.52 C ATOM 0 HA PRO A 541 13.117 5.681 -0.993 1.00 0.45 H new ATOM 0 HB2 PRO A 541 11.831 5.652 -3.486 1.00 0.49 H new ATOM 0 HB3 PRO A 541 13.574 5.542 -3.335 1.00 0.49 H new ATOM 0 HG2 PRO A 541 11.567 3.347 -3.753 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.156 3.542 -4.467 1.00 0.53 H new ATOM 0 HD2 PRO A 541 12.736 1.819 -2.418 1.00 0.52 H new ATOM 0 HD3 PRO A 541 14.257 2.672 -2.589 1.00 0.52 H new ATOM 1051 N LEU A 542 10.773 6.544 -0.939 1.00 0.37 N ATOM 1052 CA LEU A 542 9.446 6.973 -0.537 1.00 0.38 C ATOM 1053 C LEU A 542 8.966 8.103 -1.438 1.00 0.35 C ATOM 1054 O LEU A 542 9.459 9.227 -1.361 1.00 0.43 O ATOM 1055 CB LEU A 542 9.459 7.422 0.928 1.00 0.49 C ATOM 1056 CG LEU A 542 8.087 7.719 1.536 1.00 0.58 C ATOM 1057 CD1 LEU A 542 7.207 6.478 1.504 1.00 0.60 C ATOM 1058 CD2 LEU A 542 8.236 8.231 2.961 1.00 1.40 C ATOM 0 H LEU A 542 11.438 7.305 -1.078 1.00 0.37 H new ATOM 0 HA LEU A 542 8.757 6.134 -0.636 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.941 6.647 1.524 1.00 0.49 H new ATOM 0 HB3 LEU A 542 10.075 8.317 1.010 1.00 0.49 H new ATOM 0 HG LEU A 542 7.607 8.495 0.939 1.00 0.58 H new ATOM 0 HD11 LEU A 542 6.236 6.709 1.941 1.00 0.60 H new ATOM 0 HD12 LEU A 542 7.073 6.154 0.472 1.00 0.60 H new ATOM 0 HD13 LEU A 542 7.681 5.681 2.076 1.00 0.60 H new ATOM 0 HD21 LEU A 542 7.250 8.437 3.378 1.00 1.40 H new ATOM 0 HD22 LEU A 542 8.737 7.477 3.568 1.00 1.40 H new ATOM 0 HD23 LEU A 542 8.828 9.146 2.959 1.00 1.40 H new ATOM 1070 N HIS A 543 8.013 7.791 -2.304 1.00 0.31 N ATOM 1071 CA HIS A 543 7.502 8.759 -3.267 1.00 0.32 C ATOM 1072 C HIS A 543 6.195 9.355 -2.758 1.00 0.29 C ATOM 1073 O HIS A 543 5.620 8.849 -1.799 1.00 0.33 O ATOM 1074 CB HIS A 543 7.288 8.091 -4.634 1.00 0.43 C ATOM 1075 CG HIS A 543 8.532 7.476 -5.208 1.00 0.62 C ATOM 1076 ND1 HIS A 543 8.517 6.557 -6.238 1.00 0.69 N ATOM 1077 CD2 HIS A 543 9.837 7.644 -4.884 1.00 1.25 C ATOM 1078 CE1 HIS A 543 9.754 6.188 -6.517 1.00 1.06 C ATOM 1079 NE2 HIS A 543 10.572 6.833 -5.711 1.00 1.47 N ATOM 0 H HIS A 543 7.576 6.871 -2.360 1.00 0.31 H new ATOM 0 HA HIS A 543 8.233 9.559 -3.385 1.00 0.32 H new ATOM 0 HB2 HIS A 543 6.524 7.320 -4.536 1.00 0.43 H new ATOM 0 HB3 HIS A 543 6.904 8.833 -5.334 1.00 0.43 H new ATOM 0 HD2 HIS A 543 10.227 8.296 -4.116 1.00 1.25 H new ATOM 0 HE1 HIS A 543 10.045 5.478 -7.277 1.00 1.06 H new ATOM 0 HE2 HIS A 543 11.588 6.744 -5.703 1.00 1.47 H new ATOM 1088 N LYS A 544 5.740 10.436 -3.376 1.00 0.35 N ATOM 1089 CA LYS A 544 4.489 11.070 -2.975 1.00 0.44 C ATOM 1090 C LYS A 544 3.462 10.964 -4.097 1.00 0.43 C ATOM 1091 O LYS A 544 3.820 10.989 -5.273 1.00 0.61 O ATOM 1092 CB LYS A 544 4.712 12.545 -2.620 1.00 0.67 C ATOM 1093 CG LYS A 544 5.152 13.400 -3.799 1.00 1.35 C ATOM 1094 CD LYS A 544 5.286 14.862 -3.412 1.00 1.77 C ATOM 1095 CE LYS A 544 5.631 15.724 -4.615 1.00 2.62 C ATOM 1096 NZ LYS A 544 5.767 17.156 -4.251 1.00 3.40 N ATOM 0 H LYS A 544 6.216 10.892 -4.155 1.00 0.35 H new ATOM 0 HA LYS A 544 4.116 10.551 -2.092 1.00 0.44 H new ATOM 0 HB2 LYS A 544 3.788 12.954 -2.211 1.00 0.67 H new ATOM 0 HB3 LYS A 544 5.465 12.610 -1.835 1.00 0.67 H new ATOM 0 HG2 LYS A 544 6.107 13.035 -4.178 1.00 1.35 H new ATOM 0 HG3 LYS A 544 4.429 13.303 -4.609 1.00 1.35 H new ATOM 0 HD2 LYS A 544 4.353 15.210 -2.969 1.00 1.77 H new ATOM 0 HD3 LYS A 544 6.060 14.969 -2.652 1.00 1.77 H new ATOM 0 HE2 LYS A 544 6.563 15.372 -5.058 1.00 2.62 H new ATOM 0 HE3 LYS A 544 4.856 15.615 -5.374 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 6.003 17.709 -5.100 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 4.870 17.499 -3.852 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 6.524 17.265 -3.546 1.00 3.40 H new ATOM 1110 N LEU A 545 2.191 10.844 -3.739 1.00 0.44 N ATOM 1111 CA LEU A 545 1.134 10.773 -4.737 1.00 0.58 C ATOM 1112 C LEU A 545 0.276 12.035 -4.725 1.00 0.66 C ATOM 1113 O LEU A 545 -0.935 11.988 -4.506 1.00 1.04 O ATOM 1114 CB LEU A 545 0.284 9.509 -4.555 1.00 1.01 C ATOM 1115 CG LEU A 545 0.080 9.013 -3.120 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -0.925 9.868 -2.370 1.00 0.85 C ATOM 1117 CD2 LEU A 545 -0.372 7.567 -3.141 1.00 0.67 C ATOM 0 H LEU A 545 1.869 10.794 -2.773 1.00 0.44 H new ATOM 0 HA LEU A 545 1.605 10.710 -5.718 1.00 0.58 H new ATOM 0 HB2 LEU A 545 -0.697 9.694 -4.993 1.00 1.01 H new ATOM 0 HB3 LEU A 545 0.744 8.705 -5.130 1.00 1.01 H new ATOM 0 HG LEU A 545 1.032 9.090 -2.595 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -1.043 9.486 -1.356 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -0.569 10.897 -2.330 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -1.886 9.836 -2.884 1.00 0.85 H new ATOM 0 HD21 LEU A 545 -0.517 7.216 -2.119 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -1.311 7.487 -3.688 1.00 0.67 H new ATOM 0 HD23 LEU A 545 0.386 6.956 -3.631 1.00 0.67 H new ATOM 1129 N GLY A 546 0.921 13.156 -4.995 1.00 1.15 N ATOM 1130 CA GLY A 546 0.240 14.429 -5.008 1.00 1.43 C ATOM 1131 C GLY A 546 1.176 15.553 -5.387 1.00 2.14 C ATOM 1132 O GLY A 546 2.291 15.305 -5.854 1.00 2.85 O ATOM 0 H GLY A 546 1.917 13.206 -5.208 1.00 1.15 H new ATOM 0 HA2 GLY A 546 -0.590 14.392 -5.713 1.00 1.43 H new ATOM 0 HA3 GLY A 546 -0.186 14.625 -4.024 1.00 1.43 H new ATOM 1136 N GLY A 547 0.736 16.784 -5.182 1.00 2.68 N ATOM 1137 CA GLY A 547 1.557 17.929 -5.507 1.00 3.84 C ATOM 1138 C GLY A 547 1.071 18.640 -6.750 1.00 4.60 C ATOM 1139 O GLY A 547 0.510 17.972 -7.647 1.00 4.86 O ATOM 1140 OXT GLY A 547 1.227 19.876 -6.834 1.00 5.29 O ATOM 0 H GLY A 547 -0.180 17.011 -4.794 1.00 2.68 H new ATOM 0 HA2 GLY A 547 1.557 18.625 -4.668 1.00 3.84 H new ATOM 0 HA3 GLY A 547 2.588 17.606 -5.654 1.00 3.84 H new TER 1144 GLY A 547