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 510 MET CE :methyl -158:sc= 0 (180deg=-0.596) USER MOD Set 1.2: A 520 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 ASN : amide:sc= -0.0608 K(o=-0.061,f=-2.3!) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 481 GLN : amide:sc= -2.32 K(o=-2.3,f=-5.4!) USER MOD Single : A 485 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-2.9) USER MOD Single : A 488 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 493 TYR OH : rot 29:sc= -1.61! USER MOD Single : A 496 MET CE :methyl -163:sc= -0.0605 (180deg=-0.406) USER MOD Single : A 497 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 THR OG1 : rot 180:sc= 0.0496 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 512 THR OG1 : rot 1:sc= 0.342 USER MOD Single : A 513 TYR OH : rot -138:sc= 1.12 USER MOD Single : A 515 ASN : amide:sc= -0.223 K(o=-0.22,f=-0.91) USER MOD Single : A 518 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0373) USER MOD Single : A 524 SER OG : rot -33:sc= 0.338 USER MOD Single : A 525 SER OG : rot -172:sc= -1.44! USER MOD Single : A 527 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=-0.035) 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= 0.387 K(o=0.39,f=-1.3) USER MOD Single : A 544 LYS NZ :NH3+ -170:sc= 0.227 (180deg=0.0644) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 472 3.774 -12.486 -3.950 1.00 1.75 N ATOM 2 CA ARG A 472 3.407 -11.070 -3.713 1.00 1.43 C ATOM 3 C ARG A 472 2.227 -10.965 -2.758 1.00 1.73 C ATOM 4 O ARG A 472 1.832 -9.862 -2.396 1.00 2.33 O ATOM 5 CB ARG A 472 3.014 -10.377 -5.023 1.00 1.05 C ATOM 6 CG ARG A 472 1.598 -10.716 -5.479 1.00 1.63 C ATOM 7 CD ARG A 472 1.113 -9.770 -6.561 1.00 2.44 C ATOM 8 NE ARG A 472 1.845 -9.949 -7.811 1.00 3.40 N ATOM 9 CZ ARG A 472 1.956 -9.016 -8.753 1.00 4.48 C ATOM 10 NH1 ARG A 472 1.447 -7.806 -8.564 1.00 4.87 N ATOM 11 NH2 ARG A 472 2.594 -9.292 -9.881 1.00 5.44 N ATOM 0 HA ARG A 472 4.282 -10.585 -3.281 1.00 1.43 H new ATOM 0 HB2 ARG A 472 3.100 -9.298 -4.896 1.00 1.05 H new ATOM 0 HB3 ARG A 472 3.719 -10.663 -5.804 1.00 1.05 H new ATOM 0 HG2 ARG A 472 1.572 -11.740 -5.853 1.00 1.63 H new ATOM 0 HG3 ARG A 472 0.921 -10.671 -4.626 1.00 1.63 H new ATOM 0 HD2 ARG A 472 0.050 -9.934 -6.737 1.00 2.44 H new ATOM 0 HD3 ARG A 472 1.224 -8.741 -6.220 1.00 2.44 H new ATOM 0 HE ARG A 472 2.301 -10.847 -7.973 1.00 3.40 H new ATOM 0 HH11 ARG A 472 0.966 -7.585 -7.692 1.00 4.87 H new ATOM 0 HH12 ARG A 472 1.536 -7.096 -9.291 1.00 4.87 H new ATOM 0 HH21 ARG A 472 2.998 -10.217 -10.025 1.00 5.44 H new ATOM 0 HH22 ARG A 472 2.681 -8.579 -10.605 1.00 5.44 H new ATOM 27 N ASN A 473 1.663 -12.112 -2.369 1.00 1.77 N ATOM 28 CA ASN A 473 0.412 -12.153 -1.606 1.00 2.11 C ATOM 29 C ASN A 473 0.436 -11.191 -0.425 1.00 1.62 C ATOM 30 O ASN A 473 1.196 -11.368 0.528 1.00 2.26 O ATOM 31 CB ASN A 473 0.125 -13.577 -1.128 1.00 2.96 C ATOM 32 CG ASN A 473 -0.246 -14.505 -2.271 1.00 3.43 C ATOM 33 OD1 ASN A 473 0.171 -14.304 -3.413 1.00 3.75 O ATOM 34 ND2 ASN A 473 -1.029 -15.528 -1.975 1.00 3.92 N ATOM 0 H ASN A 473 2.056 -13.031 -2.572 1.00 1.77 H new ATOM 0 HA ASN A 473 -0.389 -11.834 -2.273 1.00 2.11 H new ATOM 0 HB2 ASN A 473 1.003 -13.969 -0.615 1.00 2.96 H new ATOM 0 HB3 ASN A 473 -0.687 -13.557 -0.401 1.00 2.96 H new ATOM 0 HD21 ASN A 473 -1.308 -16.184 -2.704 1.00 3.92 H new ATOM 0 HD22 ASN A 473 -1.354 -15.661 -1.017 1.00 3.92 H new ATOM 41 N LEU A 474 -0.421 -10.179 -0.496 1.00 1.02 N ATOM 42 CA LEU A 474 -0.425 -9.096 0.478 1.00 0.50 C ATOM 43 C LEU A 474 -1.165 -9.492 1.753 1.00 0.52 C ATOM 44 O LEU A 474 -1.408 -8.661 2.627 1.00 1.38 O ATOM 45 CB LEU A 474 -1.054 -7.831 -0.123 1.00 0.67 C ATOM 46 CG LEU A 474 -0.245 -7.120 -1.222 1.00 0.54 C ATOM 47 CD1 LEU A 474 1.238 -7.080 -0.891 1.00 1.29 C ATOM 48 CD2 LEU A 474 -0.471 -7.772 -2.571 1.00 0.94 C ATOM 0 H LEU A 474 -1.128 -10.087 -1.226 1.00 1.02 H new ATOM 0 HA LEU A 474 0.612 -8.888 0.740 1.00 0.50 H new ATOM 0 HB2 LEU A 474 -2.028 -8.096 -0.533 1.00 0.67 H new ATOM 0 HB3 LEU A 474 -1.231 -7.121 0.685 1.00 0.67 H new ATOM 0 HG LEU A 474 -0.602 -6.091 -1.272 1.00 0.54 H new ATOM 0 HD11 LEU A 474 1.776 -6.570 -1.691 1.00 1.29 H new ATOM 0 HD12 LEU A 474 1.387 -6.544 0.046 1.00 1.29 H new ATOM 0 HD13 LEU A 474 1.616 -8.097 -0.791 1.00 1.29 H new ATOM 0 HD21 LEU A 474 0.112 -7.250 -3.330 1.00 0.94 H new ATOM 0 HD22 LEU A 474 -0.159 -8.815 -2.528 1.00 0.94 H new ATOM 0 HD23 LEU A 474 -1.529 -7.720 -2.828 1.00 0.94 H new ATOM 60 N ALA A 475 -1.510 -10.767 1.862 1.00 1.09 N ATOM 61 CA ALA A 475 -2.158 -11.288 3.058 1.00 1.19 C ATOM 62 C ALA A 475 -1.178 -11.346 4.228 1.00 1.15 C ATOM 63 O ALA A 475 -1.576 -11.526 5.377 1.00 1.34 O ATOM 64 CB ALA A 475 -2.737 -12.665 2.782 1.00 1.36 C ATOM 0 H ALA A 475 -1.351 -11.463 1.133 1.00 1.09 H new ATOM 0 HA ALA A 475 -2.969 -10.613 3.330 1.00 1.19 H new ATOM 0 HB1 ALA A 475 -3.219 -13.044 3.683 1.00 1.36 H new ATOM 0 HB2 ALA A 475 -3.471 -12.597 1.979 1.00 1.36 H new ATOM 0 HB3 ALA A 475 -1.937 -13.343 2.485 1.00 1.36 H new ATOM 70 N GLU A 476 0.106 -11.201 3.924 1.00 1.05 N ATOM 71 CA GLU A 476 1.142 -11.182 4.949 1.00 1.13 C ATOM 72 C GLU A 476 1.768 -9.803 5.059 1.00 0.88 C ATOM 73 O GLU A 476 2.932 -9.665 5.438 1.00 0.99 O ATOM 74 CB GLU A 476 2.217 -12.221 4.649 1.00 1.40 C ATOM 75 CG GLU A 476 1.781 -13.638 4.965 1.00 1.65 C ATOM 76 CD GLU A 476 1.492 -13.831 6.439 1.00 1.89 C ATOM 77 OE1 GLU A 476 0.385 -14.291 6.777 1.00 2.45 O ATOM 78 OE2 GLU A 476 2.367 -13.511 7.272 1.00 2.32 O ATOM 0 H GLU A 476 0.456 -11.094 2.972 1.00 1.05 H new ATOM 0 HA GLU A 476 0.674 -11.428 5.902 1.00 1.13 H new ATOM 0 HB2 GLU A 476 2.490 -12.158 3.596 1.00 1.40 H new ATOM 0 HB3 GLU A 476 3.112 -11.986 5.225 1.00 1.40 H new ATOM 0 HG2 GLU A 476 0.889 -13.880 4.387 1.00 1.65 H new ATOM 0 HG3 GLU A 476 2.560 -14.334 4.655 1.00 1.65 H new ATOM 85 N LEU A 477 0.996 -8.785 4.719 1.00 0.62 N ATOM 86 CA LEU A 477 1.461 -7.410 4.833 1.00 0.41 C ATOM 87 C LEU A 477 1.578 -6.992 6.287 1.00 0.48 C ATOM 88 O LEU A 477 0.580 -6.860 6.996 1.00 0.70 O ATOM 89 CB LEU A 477 0.540 -6.446 4.087 1.00 0.33 C ATOM 90 CG LEU A 477 0.844 -6.286 2.600 1.00 0.27 C ATOM 91 CD1 LEU A 477 -0.177 -5.376 1.938 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.248 -5.734 2.404 1.00 0.34 C ATOM 0 H LEU A 477 0.045 -8.883 4.362 1.00 0.62 H new ATOM 0 HA LEU A 477 2.449 -7.366 4.375 1.00 0.41 H new ATOM 0 HB2 LEU A 477 -0.488 -6.790 4.197 1.00 0.33 H new ATOM 0 HB3 LEU A 477 0.601 -5.467 4.563 1.00 0.33 H new ATOM 0 HG LEU A 477 0.785 -7.268 2.130 1.00 0.27 H new ATOM 0 HD11 LEU A 477 0.058 -5.275 0.878 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -1.173 -5.805 2.050 1.00 0.32 H new ATOM 0 HD13 LEU A 477 -0.150 -4.394 2.410 1.00 0.32 H new ATOM 0 HD21 LEU A 477 2.451 -5.625 1.339 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.328 -4.761 2.890 1.00 0.34 H new ATOM 0 HD23 LEU A 477 2.973 -6.419 2.843 1.00 0.34 H new ATOM 104 N HIS A 478 2.808 -6.798 6.720 1.00 0.41 N ATOM 105 CA HIS A 478 3.084 -6.357 8.074 1.00 0.48 C ATOM 106 C HIS A 478 3.244 -4.847 8.098 1.00 0.36 C ATOM 107 O HIS A 478 3.439 -4.219 7.056 1.00 0.30 O ATOM 108 CB HIS A 478 4.349 -7.034 8.606 1.00 0.63 C ATOM 109 CG HIS A 478 4.238 -8.525 8.685 1.00 1.07 C ATOM 110 ND1 HIS A 478 5.084 -9.381 8.011 1.00 1.59 N ATOM 111 CD2 HIS A 478 3.368 -9.314 9.358 1.00 1.83 C ATOM 112 CE1 HIS A 478 4.736 -10.629 8.264 1.00 1.99 C ATOM 113 NE2 HIS A 478 3.699 -10.614 9.078 1.00 2.14 N ATOM 0 H HIS A 478 3.640 -6.940 6.148 1.00 0.41 H new ATOM 0 HA HIS A 478 2.249 -6.636 8.716 1.00 0.48 H new ATOM 0 HB2 HIS A 478 5.189 -6.773 7.963 1.00 0.63 H new ATOM 0 HB3 HIS A 478 4.573 -6.641 9.598 1.00 0.63 H new ATOM 0 HD2 HIS A 478 2.563 -8.981 9.997 1.00 1.83 H new ATOM 0 HE1 HIS A 478 5.218 -11.512 7.871 1.00 1.99 H new ATOM 0 HE2 HIS A 478 3.220 -11.438 9.441 1.00 2.14 H new ATOM 122 N ILE A 479 3.155 -4.264 9.280 1.00 0.37 N ATOM 123 CA ILE A 479 3.249 -2.818 9.424 1.00 0.34 C ATOM 124 C ILE A 479 4.663 -2.342 9.123 1.00 0.31 C ATOM 125 O ILE A 479 5.639 -2.916 9.611 1.00 0.35 O ATOM 126 CB ILE A 479 2.863 -2.363 10.849 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.488 -2.915 11.244 1.00 0.54 C ATOM 128 CG2 ILE A 479 2.880 -0.843 10.942 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.370 -2.512 10.309 1.00 0.56 C ATOM 0 H ILE A 479 3.018 -4.768 10.156 1.00 0.37 H new ATOM 0 HA ILE A 479 2.550 -2.379 8.712 1.00 0.34 H new ATOM 0 HB ILE A 479 3.599 -2.761 11.548 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.542 -4.003 11.281 1.00 0.54 H new ATOM 0 HG13 ILE A 479 1.247 -2.573 12.251 1.00 0.54 H new ATOM 0 HG21 ILE A 479 2.606 -0.537 11.952 1.00 0.51 H new ATOM 0 HG22 ILE A 479 3.880 -0.475 10.710 1.00 0.51 H new ATOM 0 HG23 ILE A 479 2.167 -0.427 10.231 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.569 -2.942 10.658 1.00 0.56 H new ATOM 0 HD12 ILE A 479 0.286 -1.425 10.289 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.586 -2.877 9.305 1.00 0.56 H new ATOM 141 N GLY A 480 4.771 -1.298 8.315 1.00 0.30 N ATOM 142 CA GLY A 480 6.070 -0.758 7.979 1.00 0.38 C ATOM 143 C GLY A 480 6.733 -1.540 6.869 1.00 0.41 C ATOM 144 O GLY A 480 7.958 -1.559 6.748 1.00 0.63 O ATOM 0 H GLY A 480 3.981 -0.815 7.886 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.963 0.284 7.676 1.00 0.38 H new ATOM 0 HA3 GLY A 480 6.708 -0.769 8.863 1.00 0.38 H new ATOM 148 N GLN A 481 5.917 -2.203 6.069 1.00 0.28 N ATOM 149 CA GLN A 481 6.408 -2.962 4.934 1.00 0.35 C ATOM 150 C GLN A 481 6.409 -2.085 3.687 1.00 0.30 C ATOM 151 O GLN A 481 5.397 -1.465 3.357 1.00 0.30 O ATOM 152 CB GLN A 481 5.531 -4.197 4.708 1.00 0.42 C ATOM 153 CG GLN A 481 6.039 -5.140 3.626 1.00 1.02 C ATOM 154 CD GLN A 481 7.366 -5.794 3.975 1.00 1.43 C ATOM 155 OE1 GLN A 481 8.156 -6.123 3.091 1.00 2.34 O ATOM 156 NE2 GLN A 481 7.622 -5.996 5.257 1.00 1.79 N ATOM 0 H GLN A 481 4.904 -2.230 6.186 1.00 0.28 H new ATOM 0 HA GLN A 481 7.427 -3.289 5.139 1.00 0.35 H new ATOM 0 HB2 GLN A 481 5.452 -4.748 5.645 1.00 0.42 H new ATOM 0 HB3 GLN A 481 4.525 -3.870 4.445 1.00 0.42 H new ATOM 0 HG2 GLN A 481 5.294 -5.916 3.451 1.00 1.02 H new ATOM 0 HG3 GLN A 481 6.148 -4.587 2.693 1.00 1.02 H new ATOM 0 HE21 GLN A 481 6.944 -5.710 5.964 1.00 1.79 H new ATOM 0 HE22 GLN A 481 8.497 -6.437 5.539 1.00 1.79 H new ATOM 165 N PRO A 482 7.550 -1.989 2.998 1.00 0.33 N ATOM 166 CA PRO A 482 7.640 -1.247 1.747 1.00 0.30 C ATOM 167 C PRO A 482 6.999 -2.014 0.595 1.00 0.28 C ATOM 168 O PRO A 482 7.354 -3.161 0.315 1.00 0.33 O ATOM 169 CB PRO A 482 9.143 -1.095 1.536 1.00 0.34 C ATOM 170 CG PRO A 482 9.740 -2.277 2.218 1.00 0.40 C ATOM 171 CD PRO A 482 8.839 -2.591 3.383 1.00 0.43 C ATOM 0 HA PRO A 482 7.114 -0.293 1.784 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.395 -1.080 0.476 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.511 -0.163 1.964 1.00 0.34 H new ATOM 0 HG2 PRO A 482 9.807 -3.126 1.538 1.00 0.40 H new ATOM 0 HG3 PRO A 482 10.753 -2.060 2.557 1.00 0.40 H new ATOM 0 HD2 PRO A 482 8.748 -3.666 3.541 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.220 -2.164 4.311 1.00 0.43 H new ATOM 179 N VAL A 483 6.042 -1.388 -0.060 1.00 0.24 N ATOM 180 CA VAL A 483 5.332 -2.020 -1.161 1.00 0.24 C ATOM 181 C VAL A 483 5.263 -1.084 -2.353 1.00 0.27 C ATOM 182 O VAL A 483 5.490 0.117 -2.219 1.00 0.39 O ATOM 183 CB VAL A 483 3.903 -2.435 -0.754 1.00 0.23 C ATOM 184 CG1 VAL A 483 3.940 -3.585 0.236 1.00 0.29 C ATOM 185 CG2 VAL A 483 3.148 -1.254 -0.165 1.00 0.25 C ATOM 0 H VAL A 483 5.735 -0.438 0.150 1.00 0.24 H new ATOM 0 HA VAL A 483 5.887 -2.918 -1.431 1.00 0.24 H new ATOM 0 HB VAL A 483 3.379 -2.768 -1.650 1.00 0.23 H new ATOM 0 HG11 VAL A 483 2.922 -3.862 0.510 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.439 -4.441 -0.219 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.486 -3.279 1.129 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.143 -1.568 0.115 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.674 -0.890 0.718 1.00 0.25 H new ATOM 0 HG23 VAL A 483 3.086 -0.456 -0.905 1.00 0.25 H new ATOM 195 N VAL A 484 4.962 -1.634 -3.516 1.00 0.28 N ATOM 196 CA VAL A 484 4.864 -0.841 -4.724 1.00 0.31 C ATOM 197 C VAL A 484 3.453 -0.881 -5.291 1.00 0.28 C ATOM 198 O VAL A 484 2.808 -1.932 -5.365 1.00 0.29 O ATOM 199 CB VAL A 484 5.878 -1.281 -5.803 1.00 0.35 C ATOM 200 CG1 VAL A 484 7.295 -1.146 -5.285 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.613 -2.696 -6.261 1.00 0.31 C ATOM 0 H VAL A 484 4.781 -2.629 -3.647 1.00 0.28 H new ATOM 0 HA VAL A 484 5.107 0.183 -4.441 1.00 0.31 H new ATOM 0 HB VAL A 484 5.757 -0.624 -6.664 1.00 0.35 H new ATOM 0 HG11 VAL A 484 7.996 -1.460 -6.058 1.00 0.42 H new ATOM 0 HG12 VAL A 484 7.488 -0.106 -5.021 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.421 -1.774 -4.403 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.343 -2.976 -7.020 1.00 0.31 H new ATOM 0 HG22 VAL A 484 5.694 -3.375 -5.412 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.610 -2.760 -6.682 1.00 0.31 H new ATOM 211 N HIS A 485 2.982 0.286 -5.667 1.00 0.34 N ATOM 212 CA HIS A 485 1.658 0.456 -6.232 1.00 0.29 C ATOM 213 C HIS A 485 1.789 0.745 -7.717 1.00 0.24 C ATOM 214 O HIS A 485 2.398 1.733 -8.100 1.00 0.29 O ATOM 215 CB HIS A 485 0.954 1.612 -5.516 1.00 0.36 C ATOM 216 CG HIS A 485 -0.496 1.772 -5.855 1.00 0.52 C ATOM 217 ND1 HIS A 485 -1.156 2.977 -5.764 1.00 1.09 N ATOM 218 CD2 HIS A 485 -1.420 0.872 -6.263 1.00 0.41 C ATOM 219 CE1 HIS A 485 -2.419 2.809 -6.099 1.00 1.19 C ATOM 220 NE2 HIS A 485 -2.605 1.543 -6.408 1.00 0.73 N ATOM 0 H HIS A 485 3.511 1.155 -5.589 1.00 0.34 H new ATOM 0 HA HIS A 485 1.067 -0.450 -6.100 1.00 0.29 H new ATOM 0 HB2 HIS A 485 1.047 1.465 -4.440 1.00 0.36 H new ATOM 0 HB3 HIS A 485 1.473 2.540 -5.757 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -1.254 -0.180 -6.441 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -3.175 3.580 -6.117 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -3.488 1.129 -6.707 1.00 0.73 H new ATOM 229 N LEU A 486 1.203 -0.116 -8.542 1.00 0.23 N ATOM 230 CA LEU A 486 1.345 -0.026 -10.001 1.00 0.30 C ATOM 231 C LEU A 486 0.915 1.342 -10.542 1.00 0.38 C ATOM 232 O LEU A 486 1.286 1.724 -11.649 1.00 0.52 O ATOM 233 CB LEU A 486 0.573 -1.182 -10.689 1.00 0.32 C ATOM 234 CG LEU A 486 -0.972 -1.111 -10.757 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.589 -0.697 -9.430 1.00 0.37 C ATOM 236 CD2 LEU A 486 -1.441 -0.199 -11.883 1.00 0.48 C ATOM 0 H LEU A 486 0.620 -0.892 -8.228 1.00 0.23 H new ATOM 0 HA LEU A 486 2.404 -0.130 -10.239 1.00 0.30 H new ATOM 0 HB2 LEU A 486 0.945 -1.265 -11.710 1.00 0.32 H new ATOM 0 HB3 LEU A 486 0.839 -2.107 -10.177 1.00 0.32 H new ATOM 0 HG LEU A 486 -1.320 -2.121 -10.974 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -2.674 -0.662 -9.529 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -1.318 -1.421 -8.661 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -1.218 0.288 -9.148 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -2.531 -0.173 -11.901 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -1.057 0.808 -11.720 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -1.072 -0.578 -12.836 1.00 0.48 H new ATOM 248 N GLU A 487 0.136 2.072 -9.756 1.00 0.38 N ATOM 249 CA GLU A 487 -0.348 3.381 -10.161 1.00 0.54 C ATOM 250 C GLU A 487 0.660 4.490 -9.839 1.00 0.55 C ATOM 251 O GLU A 487 0.916 5.353 -10.674 1.00 0.69 O ATOM 252 CB GLU A 487 -1.700 3.661 -9.502 1.00 0.64 C ATOM 253 CG GLU A 487 -2.801 2.738 -10.005 1.00 0.76 C ATOM 254 CD GLU A 487 -4.146 2.981 -9.349 1.00 1.47 C ATOM 255 OE1 GLU A 487 -4.436 2.335 -8.323 1.00 2.37 O ATOM 256 OE2 GLU A 487 -4.928 3.805 -9.866 1.00 1.85 O ATOM 0 H GLU A 487 -0.175 1.777 -8.830 1.00 0.38 H new ATOM 0 HA GLU A 487 -0.474 3.374 -11.244 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -1.603 3.549 -8.422 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -1.984 4.696 -9.691 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -2.904 2.864 -11.083 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -2.504 1.704 -9.832 1.00 0.76 H new ATOM 263 N HIS A 488 1.233 4.480 -8.635 1.00 0.44 N ATOM 264 CA HIS A 488 2.151 5.560 -8.240 1.00 0.48 C ATOM 265 C HIS A 488 3.565 5.078 -7.926 1.00 0.42 C ATOM 266 O HIS A 488 4.535 5.774 -8.218 1.00 0.52 O ATOM 267 CB HIS A 488 1.600 6.352 -7.060 1.00 0.53 C ATOM 268 CG HIS A 488 0.960 7.639 -7.475 1.00 0.71 C ATOM 269 ND1 HIS A 488 1.530 8.872 -7.238 1.00 1.44 N ATOM 270 CD2 HIS A 488 -0.199 7.883 -8.128 1.00 1.14 C ATOM 271 CE1 HIS A 488 0.748 9.816 -7.727 1.00 1.39 C ATOM 272 NE2 HIS A 488 -0.307 9.242 -8.273 1.00 1.12 N ATOM 0 H HIS A 488 1.086 3.758 -7.929 1.00 0.44 H new ATOM 0 HA HIS A 488 2.223 6.210 -9.112 1.00 0.48 H new ATOM 0 HB2 HIS A 488 0.869 5.743 -6.529 1.00 0.53 H new ATOM 0 HB3 HIS A 488 2.409 6.563 -6.360 1.00 0.53 H new ATOM 0 HD2 HIS A 488 -0.908 7.144 -8.472 1.00 1.14 H new ATOM 0 HE1 HIS A 488 0.939 10.878 -7.687 1.00 1.39 H new ATOM 0 HE2 HIS A 488 -1.078 9.730 -8.729 1.00 1.12 H new ATOM 281 N GLY A 489 3.692 3.921 -7.303 1.00 0.37 N ATOM 282 CA GLY A 489 5.009 3.398 -7.015 1.00 0.39 C ATOM 283 C GLY A 489 5.177 2.978 -5.572 1.00 0.29 C ATOM 284 O GLY A 489 4.206 2.617 -4.907 1.00 0.25 O ATOM 0 H GLY A 489 2.915 3.338 -6.993 1.00 0.37 H new ATOM 0 HA2 GLY A 489 5.203 2.542 -7.661 1.00 0.39 H new ATOM 0 HA3 GLY A 489 5.755 4.155 -7.256 1.00 0.39 H new ATOM 288 N VAL A 490 6.411 3.039 -5.099 1.00 0.30 N ATOM 289 CA VAL A 490 6.772 2.573 -3.765 1.00 0.27 C ATOM 290 C VAL A 490 6.149 3.435 -2.658 1.00 0.21 C ATOM 291 O VAL A 490 6.093 4.665 -2.758 1.00 0.23 O ATOM 292 CB VAL A 490 8.311 2.544 -3.608 1.00 0.34 C ATOM 293 CG1 VAL A 490 8.898 3.931 -3.803 1.00 0.94 C ATOM 294 CG2 VAL A 490 8.726 1.967 -2.261 1.00 1.06 C ATOM 0 H VAL A 490 7.196 3.415 -5.630 1.00 0.30 H new ATOM 0 HA VAL A 490 6.373 1.564 -3.657 1.00 0.27 H new ATOM 0 HB VAL A 490 8.709 1.889 -4.383 1.00 0.34 H new ATOM 0 HG11 VAL A 490 9.981 3.887 -3.688 1.00 0.94 H new ATOM 0 HG12 VAL A 490 8.653 4.293 -4.802 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.482 4.610 -3.059 1.00 0.94 H new ATOM 0 HG21 VAL A 490 9.813 1.962 -2.187 1.00 1.06 H new ATOM 0 HG22 VAL A 490 8.310 2.578 -1.460 1.00 1.06 H new ATOM 0 HG23 VAL A 490 8.352 0.947 -2.171 1.00 1.06 H new ATOM 304 N GLY A 491 5.675 2.768 -1.615 1.00 0.18 N ATOM 305 CA GLY A 491 5.098 3.447 -0.473 1.00 0.18 C ATOM 306 C GLY A 491 5.276 2.647 0.805 1.00 0.16 C ATOM 307 O GLY A 491 5.773 1.518 0.772 1.00 0.16 O ATOM 0 H GLY A 491 5.681 1.751 -1.540 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.564 4.425 -0.358 1.00 0.18 H new ATOM 0 HA3 GLY A 491 4.036 3.619 -0.650 1.00 0.18 H new ATOM 311 N ARG A 492 4.867 3.220 1.930 1.00 0.17 N ATOM 312 CA ARG A 492 4.996 2.556 3.222 1.00 0.17 C ATOM 313 C ARG A 492 3.651 2.042 3.709 1.00 0.14 C ATOM 314 O ARG A 492 2.712 2.816 3.904 1.00 0.18 O ATOM 315 CB ARG A 492 5.590 3.513 4.248 1.00 0.24 C ATOM 316 CG ARG A 492 7.002 3.945 3.907 1.00 0.37 C ATOM 317 CD ARG A 492 7.972 2.782 4.010 1.00 0.44 C ATOM 318 NE ARG A 492 8.139 2.329 5.390 1.00 0.98 N ATOM 319 CZ ARG A 492 9.053 1.440 5.776 1.00 1.21 C ATOM 320 NH1 ARG A 492 9.880 0.896 4.887 1.00 1.35 N ATOM 321 NH2 ARG A 492 9.142 1.098 7.054 1.00 1.93 N ATOM 0 H ARG A 492 4.442 4.146 1.974 1.00 0.17 H new ATOM 0 HA ARG A 492 5.664 1.703 3.099 1.00 0.17 H new ATOM 0 HB2 ARG A 492 4.954 4.395 4.324 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.589 3.034 5.227 1.00 0.24 H new ATOM 0 HG2 ARG A 492 7.026 4.354 2.897 1.00 0.37 H new ATOM 0 HG3 ARG A 492 7.314 4.743 4.581 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.613 1.955 3.398 1.00 0.44 H new ATOM 0 HD3 ARG A 492 8.940 3.080 3.607 1.00 0.44 H new ATOM 0 HE ARG A 492 7.518 2.717 6.100 1.00 0.98 H new ATOM 0 HH11 ARG A 492 9.816 1.159 3.904 1.00 1.35 H new ATOM 0 HH12 ARG A 492 10.578 0.216 5.189 1.00 1.35 H new ATOM 0 HH21 ARG A 492 8.512 1.515 7.739 1.00 1.93 H new ATOM 0 HH22 ARG A 492 9.841 0.418 7.352 1.00 1.93 H new ATOM 335 N TYR A 493 3.559 0.735 3.895 1.00 0.15 N ATOM 336 CA TYR A 493 2.305 0.105 4.294 1.00 0.14 C ATOM 337 C TYR A 493 1.948 0.465 5.728 1.00 0.14 C ATOM 338 O TYR A 493 2.782 0.351 6.630 1.00 0.15 O ATOM 339 CB TYR A 493 2.400 -1.413 4.162 1.00 0.15 C ATOM 340 CG TYR A 493 1.103 -2.133 4.453 1.00 0.15 C ATOM 341 CD1 TYR A 493 0.933 -2.841 5.637 1.00 1.14 C ATOM 342 CD2 TYR A 493 0.051 -2.105 3.547 1.00 1.21 C ATOM 343 CE1 TYR A 493 -0.246 -3.507 5.907 1.00 1.15 C ATOM 344 CE2 TYR A 493 -1.133 -2.767 3.812 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.276 -3.467 4.992 1.00 0.19 C ATOM 346 OH TYR A 493 -2.448 -4.137 5.255 1.00 0.23 O ATOM 0 H TYR A 493 4.337 0.087 3.777 1.00 0.15 H new ATOM 0 HA TYR A 493 1.523 0.476 3.631 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.723 -1.661 3.151 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.169 -1.780 4.842 1.00 0.15 H new ATOM 0 HD1 TYR A 493 1.737 -2.871 6.358 1.00 1.14 H new ATOM 0 HD2 TYR A 493 0.160 -1.558 2.622 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -0.360 -4.056 6.830 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -1.943 -2.736 3.098 1.00 1.21 H new ATOM 0 HH TYR A 493 -2.588 -4.183 6.224 1.00 0.23 H new ATOM 356 N ALA A 494 0.710 0.886 5.936 1.00 0.18 N ATOM 357 CA ALA A 494 0.245 1.205 7.277 1.00 0.21 C ATOM 358 C ALA A 494 -1.135 0.623 7.539 1.00 0.21 C ATOM 359 O ALA A 494 -2.146 1.250 7.240 1.00 0.22 O ATOM 360 CB ALA A 494 0.208 2.711 7.476 1.00 0.25 C ATOM 0 H ALA A 494 0.015 1.014 5.201 1.00 0.18 H new ATOM 0 HA ALA A 494 0.945 0.760 7.984 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.142 2.936 8.483 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.209 3.121 7.339 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.470 3.158 6.748 1.00 0.25 H new ATOM 366 N GLY A 495 -1.155 -0.548 8.163 1.00 0.22 N ATOM 367 CA GLY A 495 -2.399 -1.186 8.561 1.00 0.23 C ATOM 368 C GLY A 495 -3.436 -1.290 7.453 1.00 0.21 C ATOM 369 O GLY A 495 -3.114 -1.273 6.265 1.00 0.21 O ATOM 0 H GLY A 495 -0.317 -1.076 8.405 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.177 -2.188 8.929 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -2.829 -0.628 9.393 1.00 0.23 H new ATOM 373 N MET A 496 -4.687 -1.389 7.865 1.00 0.22 N ATOM 374 CA MET A 496 -5.807 -1.510 6.943 1.00 0.21 C ATOM 375 C MET A 496 -6.993 -0.715 7.451 1.00 0.22 C ATOM 376 O MET A 496 -7.157 -0.519 8.658 1.00 0.27 O ATOM 377 CB MET A 496 -6.216 -2.972 6.748 1.00 0.23 C ATOM 378 CG MET A 496 -5.541 -3.644 5.562 1.00 0.22 C ATOM 379 SD MET A 496 -5.997 -5.382 5.379 1.00 0.33 S ATOM 380 CE MET A 496 -5.224 -6.090 6.832 1.00 1.68 C ATOM 0 H MET A 496 -4.958 -1.388 8.848 1.00 0.22 H new ATOM 0 HA MET A 496 -5.486 -1.112 5.980 1.00 0.21 H new ATOM 0 HB2 MET A 496 -5.979 -3.530 7.654 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.297 -3.023 6.616 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.804 -3.108 4.650 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.460 -3.568 5.676 1.00 0.22 H new ATOM 0 HE1 MET A 496 -5.150 -7.171 6.715 1.00 1.68 H new ATOM 0 HE2 MET A 496 -4.226 -5.669 6.955 1.00 1.68 H new ATOM 0 HE3 MET A 496 -5.825 -5.861 7.712 1.00 1.68 H new ATOM 390 N THR A 497 -7.802 -0.248 6.525 1.00 0.20 N ATOM 391 CA THR A 497 -8.983 0.521 6.851 1.00 0.22 C ATOM 392 C THR A 497 -10.177 -0.002 6.065 1.00 0.22 C ATOM 393 O THR A 497 -10.042 -0.388 4.908 1.00 0.20 O ATOM 394 CB THR A 497 -8.765 2.021 6.552 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.973 2.759 6.789 1.00 0.31 O ATOM 396 CG2 THR A 497 -8.303 2.226 5.115 1.00 0.24 C ATOM 0 H THR A 497 -7.660 -0.391 5.525 1.00 0.20 H new ATOM 0 HA THR A 497 -9.180 0.412 7.917 1.00 0.22 H new ATOM 0 HB THR A 497 -7.987 2.390 7.221 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.820 3.708 6.597 1.00 0.31 H new ATOM 0 HG21 THR A 497 -8.156 3.290 4.928 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.364 1.697 4.956 1.00 0.24 H new ATOM 0 HG23 THR A 497 -9.058 1.838 4.431 1.00 0.24 H new ATOM 404 N THR A 498 -11.334 -0.042 6.688 1.00 0.28 N ATOM 405 CA THR A 498 -12.535 -0.431 5.987 1.00 0.29 C ATOM 406 C THR A 498 -13.266 0.799 5.475 1.00 0.29 C ATOM 407 O THR A 498 -13.528 1.740 6.228 1.00 0.36 O ATOM 408 CB THR A 498 -13.463 -1.271 6.877 1.00 0.36 C ATOM 409 OG1 THR A 498 -13.274 -0.917 8.254 1.00 0.84 O ATOM 410 CG2 THR A 498 -13.193 -2.752 6.679 1.00 0.67 C ATOM 0 H THR A 498 -11.468 0.189 7.673 1.00 0.28 H new ATOM 0 HA THR A 498 -12.240 -1.050 5.140 1.00 0.29 H new ATOM 0 HB THR A 498 -14.496 -1.066 6.594 1.00 0.36 H new ATOM 0 HG1 THR A 498 -13.870 -1.456 8.815 1.00 0.84 H new ATOM 0 HG21 THR A 498 -13.860 -3.332 7.317 1.00 0.67 H new ATOM 0 HG22 THR A 498 -13.367 -3.017 5.636 1.00 0.67 H new ATOM 0 HG23 THR A 498 -12.158 -2.971 6.941 1.00 0.67 H new ATOM 418 N LEU A 499 -13.581 0.795 4.192 1.00 0.27 N ATOM 419 CA LEU A 499 -14.224 1.940 3.572 1.00 0.31 C ATOM 420 C LEU A 499 -15.651 1.597 3.191 1.00 0.34 C ATOM 421 O LEU A 499 -15.948 0.478 2.764 1.00 0.39 O ATOM 422 CB LEU A 499 -13.454 2.406 2.331 1.00 0.32 C ATOM 423 CG LEU A 499 -12.012 2.870 2.574 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.385 3.352 1.275 1.00 0.34 C ATOM 425 CD2 LEU A 499 -11.965 3.970 3.623 1.00 0.39 C ATOM 0 H LEU A 499 -13.403 0.014 3.561 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.229 2.753 4.298 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.436 1.589 1.610 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.006 3.225 1.870 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.440 2.020 2.946 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.362 3.678 1.464 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.379 2.538 0.550 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -11.964 4.186 0.879 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -10.932 4.282 3.777 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -12.554 4.822 3.284 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -12.375 3.596 4.561 1.00 0.39 H new ATOM 437 N GLU A 500 -16.529 2.565 3.359 1.00 0.54 N ATOM 438 CA GLU A 500 -17.926 2.392 3.034 1.00 0.62 C ATOM 439 C GLU A 500 -18.269 3.231 1.809 1.00 0.79 C ATOM 440 O GLU A 500 -18.481 4.442 1.911 1.00 0.99 O ATOM 441 CB GLU A 500 -18.785 2.806 4.228 1.00 0.80 C ATOM 442 CG GLU A 500 -20.279 2.689 3.990 1.00 1.25 C ATOM 443 CD GLU A 500 -21.080 3.226 5.154 1.00 1.63 C ATOM 444 OE1 GLU A 500 -21.089 4.458 5.351 1.00 2.04 O ATOM 445 OE2 GLU A 500 -21.703 2.420 5.878 1.00 2.21 O ATOM 0 H GLU A 500 -16.294 3.488 3.723 1.00 0.54 H new ATOM 0 HA GLU A 500 -18.126 1.344 2.809 1.00 0.62 H new ATOM 0 HB2 GLU A 500 -18.516 2.190 5.086 1.00 0.80 H new ATOM 0 HB3 GLU A 500 -18.550 3.838 4.490 1.00 0.80 H new ATOM 0 HG2 GLU A 500 -20.546 3.233 3.084 1.00 1.25 H new ATOM 0 HG3 GLU A 500 -20.539 1.644 3.822 1.00 1.25 H new ATOM 452 N ALA A 501 -18.297 2.591 0.652 1.00 0.93 N ATOM 453 CA ALA A 501 -18.551 3.284 -0.597 1.00 1.17 C ATOM 454 C ALA A 501 -19.979 3.056 -1.058 1.00 1.28 C ATOM 455 O ALA A 501 -20.692 2.210 -0.515 1.00 1.32 O ATOM 456 CB ALA A 501 -17.576 2.799 -1.651 1.00 1.29 C ATOM 0 H ALA A 501 -18.146 1.587 0.553 1.00 0.93 H new ATOM 0 HA ALA A 501 -18.413 4.354 -0.441 1.00 1.17 H new ATOM 0 HB1 ALA A 501 -17.766 3.319 -2.590 1.00 1.29 H new ATOM 0 HB2 ALA A 501 -16.556 3.002 -1.324 1.00 1.29 H new ATOM 0 HB3 ALA A 501 -17.703 1.727 -1.798 1.00 1.29 H new ATOM 462 N GLY A 502 -20.396 3.821 -2.056 1.00 1.50 N ATOM 463 CA GLY A 502 -21.719 3.658 -2.615 1.00 1.65 C ATOM 464 C GLY A 502 -21.763 2.512 -3.599 1.00 1.94 C ATOM 465 O GLY A 502 -21.844 2.721 -4.810 1.00 2.51 O ATOM 0 H GLY A 502 -19.837 4.556 -2.490 1.00 1.50 H new ATOM 0 HA2 GLY A 502 -22.435 3.479 -1.813 1.00 1.65 H new ATOM 0 HA3 GLY A 502 -22.022 4.579 -3.113 1.00 1.65 H new ATOM 469 N GLY A 503 -21.680 1.299 -3.077 1.00 1.76 N ATOM 470 CA GLY A 503 -21.682 0.126 -3.921 1.00 2.10 C ATOM 471 C GLY A 503 -20.703 -0.917 -3.438 1.00 1.94 C ATOM 472 O GLY A 503 -21.053 -2.091 -3.303 1.00 2.03 O ATOM 0 H GLY A 503 -21.611 1.106 -2.078 1.00 1.76 H new ATOM 0 HA2 GLY A 503 -22.684 -0.301 -3.946 1.00 2.10 H new ATOM 0 HA3 GLY A 503 -21.432 0.413 -4.942 1.00 2.10 H new ATOM 476 N ILE A 504 -19.480 -0.491 -3.154 1.00 1.77 N ATOM 477 CA ILE A 504 -18.438 -1.405 -2.724 1.00 1.65 C ATOM 478 C ILE A 504 -18.056 -1.117 -1.280 1.00 1.24 C ATOM 479 O ILE A 504 -17.471 -0.081 -0.981 1.00 1.16 O ATOM 480 CB ILE A 504 -17.161 -1.308 -3.598 1.00 1.91 C ATOM 481 CG1 ILE A 504 -17.498 -1.320 -5.093 1.00 2.34 C ATOM 482 CG2 ILE A 504 -16.215 -2.455 -3.271 1.00 1.84 C ATOM 483 CD1 ILE A 504 -17.841 0.043 -5.658 1.00 2.42 C ATOM 0 H ILE A 504 -19.187 0.484 -3.215 1.00 1.77 H new ATOM 0 HA ILE A 504 -18.845 -2.411 -2.826 1.00 1.65 H new ATOM 0 HB ILE A 504 -16.675 -0.359 -3.371 1.00 1.91 H new ATOM 0 HG12 ILE A 504 -16.649 -1.727 -5.643 1.00 2.34 H new ATOM 0 HG13 ILE A 504 -18.339 -1.993 -5.260 1.00 2.34 H new ATOM 0 HG21 ILE A 504 -15.321 -2.377 -3.890 1.00 1.84 H new ATOM 0 HG22 ILE A 504 -15.933 -2.405 -2.219 1.00 1.84 H new ATOM 0 HG23 ILE A 504 -16.712 -3.405 -3.469 1.00 1.84 H new ATOM 0 HD11 ILE A 504 -18.067 -0.050 -6.720 1.00 2.42 H new ATOM 0 HD12 ILE A 504 -18.709 0.445 -5.136 1.00 2.42 H new ATOM 0 HD13 ILE A 504 -16.994 0.716 -5.525 1.00 2.42 H new ATOM 495 N THR A 505 -18.409 -2.014 -0.386 1.00 1.06 N ATOM 496 CA THR A 505 -18.040 -1.866 1.005 1.00 0.72 C ATOM 497 C THR A 505 -17.192 -3.051 1.439 1.00 0.65 C ATOM 498 O THR A 505 -17.502 -4.196 1.099 1.00 0.91 O ATOM 499 CB THR A 505 -19.284 -1.757 1.905 1.00 0.78 C ATOM 500 OG1 THR A 505 -20.106 -2.924 1.757 1.00 1.05 O ATOM 501 CG2 THR A 505 -20.099 -0.518 1.562 1.00 0.91 C ATOM 0 H THR A 505 -18.950 -2.852 -0.597 1.00 1.06 H new ATOM 0 HA THR A 505 -17.466 -0.945 1.109 1.00 0.72 H new ATOM 0 HB THR A 505 -18.945 -1.678 2.938 1.00 0.78 H new ATOM 0 HG1 THR A 505 -20.893 -2.845 2.335 1.00 1.05 H new ATOM 0 HG21 THR A 505 -20.972 -0.465 2.212 1.00 0.91 H new ATOM 0 HG22 THR A 505 -19.486 0.372 1.705 1.00 0.91 H new ATOM 0 HG23 THR A 505 -20.424 -0.572 0.523 1.00 0.91 H new ATOM 509 N GLY A 506 -16.120 -2.788 2.170 1.00 0.48 N ATOM 510 CA GLY A 506 -15.251 -3.867 2.580 1.00 0.58 C ATOM 511 C GLY A 506 -13.903 -3.399 3.072 1.00 0.45 C ATOM 512 O GLY A 506 -13.749 -2.261 3.524 1.00 0.43 O ATOM 0 H GLY A 506 -15.840 -1.859 2.483 1.00 0.48 H new ATOM 0 HA2 GLY A 506 -15.740 -4.437 3.370 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -15.107 -4.546 1.740 1.00 0.58 H new ATOM 516 N GLU A 507 -12.928 -4.286 2.968 1.00 0.41 N ATOM 517 CA GLU A 507 -11.586 -4.041 3.472 1.00 0.34 C ATOM 518 C GLU A 507 -10.731 -3.308 2.451 1.00 0.27 C ATOM 519 O GLU A 507 -10.757 -3.618 1.256 1.00 0.30 O ATOM 520 CB GLU A 507 -10.916 -5.360 3.827 1.00 0.42 C ATOM 521 CG GLU A 507 -11.622 -6.135 4.922 1.00 0.56 C ATOM 522 CD GLU A 507 -10.978 -7.478 5.171 1.00 0.78 C ATOM 523 OE1 GLU A 507 -11.472 -8.489 4.631 1.00 1.27 O ATOM 524 OE2 GLU A 507 -9.964 -7.533 5.896 1.00 1.63 O ATOM 0 H GLU A 507 -13.045 -5.200 2.530 1.00 0.41 H new ATOM 0 HA GLU A 507 -11.677 -3.415 4.360 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -10.863 -5.981 2.933 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -9.891 -5.162 4.139 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -11.612 -5.552 5.843 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -12.667 -6.279 4.648 1.00 0.56 H new ATOM 531 N TYR A 508 -9.973 -2.336 2.932 1.00 0.21 N ATOM 532 CA TYR A 508 -9.076 -1.570 2.089 1.00 0.17 C ATOM 533 C TYR A 508 -7.724 -1.414 2.751 1.00 0.15 C ATOM 534 O TYR A 508 -7.599 -1.329 3.973 1.00 0.21 O ATOM 535 CB TYR A 508 -9.671 -0.194 1.769 1.00 0.19 C ATOM 536 CG TYR A 508 -10.882 -0.250 0.863 1.00 0.26 C ATOM 537 CD1 TYR A 508 -10.787 0.096 -0.476 1.00 1.05 C ATOM 538 CD2 TYR A 508 -12.116 -0.656 1.348 1.00 1.38 C ATOM 539 CE1 TYR A 508 -11.889 0.041 -1.305 1.00 1.02 C ATOM 540 CE2 TYR A 508 -13.222 -0.715 0.528 1.00 1.45 C ATOM 541 CZ TYR A 508 -13.105 -0.366 -0.799 1.00 0.45 C ATOM 542 OH TYR A 508 -14.204 -0.419 -1.624 1.00 0.54 O ATOM 0 H TYR A 508 -9.963 -2.058 3.913 1.00 0.21 H new ATOM 0 HA TYR A 508 -8.945 -2.115 1.154 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.948 0.298 2.701 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.905 0.423 1.299 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -9.836 0.414 -0.877 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -12.212 -0.931 2.388 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -11.799 0.316 -2.346 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -14.175 -1.033 0.924 1.00 1.45 H new ATOM 0 HH TYR A 508 -14.982 -0.726 -1.113 1.00 0.54 H new ATOM 552 N LEU A 509 -6.725 -1.400 1.913 1.00 0.19 N ATOM 553 CA LEU A 509 -5.355 -1.258 2.315 1.00 0.26 C ATOM 554 C LEU A 509 -5.047 0.206 2.580 1.00 0.21 C ATOM 555 O LEU A 509 -5.510 1.083 1.848 1.00 0.19 O ATOM 556 CB LEU A 509 -4.496 -1.839 1.189 1.00 0.43 C ATOM 557 CG LEU A 509 -3.027 -1.442 1.148 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.258 -2.495 0.374 1.00 0.98 C ATOM 559 CD2 LEU A 509 -2.850 -0.085 0.486 1.00 1.06 C ATOM 0 H LEU A 509 -6.846 -1.490 0.904 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.145 -1.792 3.242 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -4.549 -2.926 1.253 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -4.948 -1.553 0.239 1.00 0.43 H new ATOM 0 HG LEU A 509 -2.648 -1.373 2.168 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -1.203 -2.222 0.337 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -2.366 -3.461 0.868 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.651 -2.560 -0.640 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -1.792 0.176 0.469 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -3.230 -0.126 -0.535 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.401 0.669 1.049 1.00 1.06 H new ATOM 571 N MET A 510 -4.283 0.469 3.626 1.00 0.22 N ATOM 572 CA MET A 510 -3.885 1.826 3.942 1.00 0.21 C ATOM 573 C MET A 510 -2.380 1.979 3.746 1.00 0.17 C ATOM 574 O MET A 510 -1.583 1.268 4.356 1.00 0.23 O ATOM 575 CB MET A 510 -4.275 2.176 5.377 1.00 0.27 C ATOM 576 CG MET A 510 -4.975 3.517 5.507 1.00 0.31 C ATOM 577 SD MET A 510 -5.326 3.956 7.220 1.00 0.50 S ATOM 578 CE MET A 510 -6.242 5.478 6.995 1.00 1.53 C ATOM 0 H MET A 510 -3.927 -0.239 4.269 1.00 0.22 H new ATOM 0 HA MET A 510 -4.402 2.513 3.271 1.00 0.21 H new ATOM 0 HB2 MET A 510 -4.928 1.395 5.768 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.379 2.182 5.997 1.00 0.27 H new ATOM 0 HG2 MET A 510 -4.353 4.292 5.058 1.00 0.31 H new ATOM 0 HG3 MET A 510 -5.908 3.491 4.944 1.00 0.31 H new ATOM 0 HE1 MET A 510 -6.196 6.069 7.910 1.00 1.53 H new ATOM 0 HE2 MET A 510 -5.807 6.046 6.173 1.00 1.53 H new ATOM 0 HE3 MET A 510 -7.282 5.246 6.765 1.00 1.53 H new ATOM 588 N LEU A 511 -2.002 2.884 2.866 1.00 0.15 N ATOM 589 CA LEU A 511 -0.600 3.120 2.562 1.00 0.13 C ATOM 590 C LEU A 511 -0.229 4.567 2.837 1.00 0.14 C ATOM 591 O LEU A 511 -1.080 5.452 2.778 1.00 0.20 O ATOM 592 CB LEU A 511 -0.321 2.772 1.100 1.00 0.17 C ATOM 593 CG LEU A 511 0.528 1.523 0.881 1.00 0.21 C ATOM 594 CD1 LEU A 511 0.231 0.897 -0.466 1.00 0.83 C ATOM 595 CD2 LEU A 511 1.996 1.876 0.958 1.00 0.69 C ATOM 0 H LEU A 511 -2.650 3.474 2.344 1.00 0.15 H new ATOM 0 HA LEU A 511 0.009 2.483 3.203 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.273 2.639 0.586 1.00 0.17 H new ATOM 0 HB3 LEU A 511 0.179 3.619 0.630 1.00 0.17 H new ATOM 0 HG LEU A 511 0.282 0.804 1.663 1.00 0.21 H new ATOM 0 HD11 LEU A 511 0.849 0.009 -0.598 1.00 0.83 H new ATOM 0 HD12 LEU A 511 -0.822 0.618 -0.513 1.00 0.83 H new ATOM 0 HD13 LEU A 511 0.452 1.614 -1.257 1.00 0.83 H new ATOM 0 HD21 LEU A 511 2.595 0.979 0.801 1.00 0.69 H new ATOM 0 HD22 LEU A 511 2.234 2.611 0.189 1.00 0.69 H new ATOM 0 HD23 LEU A 511 2.219 2.293 1.940 1.00 0.69 H new ATOM 607 N THR A 512 1.033 4.803 3.144 1.00 0.15 N ATOM 608 CA THR A 512 1.513 6.154 3.364 1.00 0.19 C ATOM 609 C THR A 512 2.616 6.513 2.383 1.00 0.16 C ATOM 610 O THR A 512 3.562 5.748 2.171 1.00 0.21 O ATOM 611 CB THR A 512 2.013 6.372 4.807 1.00 0.28 C ATOM 612 OG1 THR A 512 2.699 5.208 5.290 1.00 0.58 O ATOM 613 CG2 THR A 512 0.859 6.719 5.735 1.00 0.55 C ATOM 0 H THR A 512 1.743 4.078 3.246 1.00 0.15 H new ATOM 0 HA THR A 512 0.659 6.811 3.200 1.00 0.19 H new ATOM 0 HB THR A 512 2.711 7.209 4.794 1.00 0.28 H new ATOM 0 HG1 THR A 512 2.716 4.524 4.589 1.00 0.58 H new ATOM 0 HG21 THR A 512 1.237 6.868 6.746 1.00 0.55 H new ATOM 0 HG22 THR A 512 0.377 7.634 5.390 1.00 0.55 H new ATOM 0 HG23 THR A 512 0.135 5.905 5.735 1.00 0.55 H new ATOM 621 N TYR A 513 2.460 7.667 1.764 1.00 0.16 N ATOM 622 CA TYR A 513 3.459 8.211 0.869 1.00 0.19 C ATOM 623 C TYR A 513 4.041 9.480 1.478 1.00 0.24 C ATOM 624 O TYR A 513 3.756 9.793 2.636 1.00 0.27 O ATOM 625 CB TYR A 513 2.848 8.506 -0.504 1.00 0.21 C ATOM 626 CG TYR A 513 2.641 7.280 -1.369 1.00 0.19 C ATOM 627 CD1 TYR A 513 1.719 6.299 -1.024 1.00 1.10 C ATOM 628 CD2 TYR A 513 3.366 7.110 -2.541 1.00 1.12 C ATOM 629 CE1 TYR A 513 1.530 5.187 -1.822 1.00 1.08 C ATOM 630 CE2 TYR A 513 3.181 6.002 -3.343 1.00 1.16 C ATOM 631 CZ TYR A 513 2.263 5.044 -2.980 1.00 0.24 C ATOM 632 OH TYR A 513 2.076 3.940 -3.781 1.00 0.28 O ATOM 0 H TYR A 513 1.633 8.255 1.869 1.00 0.16 H new ATOM 0 HA TYR A 513 4.255 7.479 0.732 1.00 0.19 H new ATOM 0 HB2 TYR A 513 1.888 9.003 -0.363 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.494 9.206 -1.034 1.00 0.21 H new ATOM 0 HD1 TYR A 513 1.141 6.408 -0.118 1.00 1.10 H new ATOM 0 HD2 TYR A 513 4.088 7.859 -2.830 1.00 1.12 H new ATOM 0 HE1 TYR A 513 0.811 4.433 -1.539 1.00 1.08 H new ATOM 0 HE2 TYR A 513 3.754 5.888 -4.251 1.00 1.16 H new ATOM 0 HH TYR A 513 2.945 3.608 -4.088 1.00 0.28 H new ATOM 642 N ALA A 514 4.843 10.202 0.711 1.00 0.28 N ATOM 643 CA ALA A 514 5.441 11.443 1.187 1.00 0.33 C ATOM 644 C ALA A 514 4.373 12.436 1.638 1.00 0.31 C ATOM 645 O ALA A 514 3.251 12.436 1.123 1.00 0.31 O ATOM 646 CB ALA A 514 6.313 12.054 0.110 1.00 0.43 C ATOM 0 H ALA A 514 5.096 9.951 -0.245 1.00 0.28 H new ATOM 0 HA ALA A 514 6.063 11.207 2.051 1.00 0.33 H new ATOM 0 HB1 ALA A 514 6.753 12.980 0.480 1.00 0.43 H new ATOM 0 HB2 ALA A 514 7.107 11.356 -0.155 1.00 0.43 H new ATOM 0 HB3 ALA A 514 5.708 12.266 -0.771 1.00 0.43 H new ATOM 652 N ASN A 515 4.737 13.270 2.609 1.00 0.36 N ATOM 653 CA ASN A 515 3.818 14.227 3.230 1.00 0.40 C ATOM 654 C ASN A 515 2.684 13.478 3.930 1.00 0.39 C ATOM 655 O ASN A 515 1.575 13.995 4.087 1.00 0.44 O ATOM 656 CB ASN A 515 3.255 15.214 2.194 1.00 0.43 C ATOM 657 CG ASN A 515 2.735 16.502 2.818 1.00 1.29 C ATOM 658 OD1 ASN A 515 2.351 16.542 3.984 1.00 2.26 O ATOM 659 ND2 ASN A 515 2.708 17.567 2.036 1.00 1.69 N ATOM 0 H ASN A 515 5.682 13.303 2.991 1.00 0.36 H new ATOM 0 HA ASN A 515 4.373 14.806 3.968 1.00 0.40 H new ATOM 0 HB2 ASN A 515 4.034 15.456 1.471 1.00 0.43 H new ATOM 0 HB3 ASN A 515 2.447 14.732 1.643 1.00 0.43 H new ATOM 0 HD21 ASN A 515 2.361 18.456 2.397 1.00 1.69 H new ATOM 0 HD22 ASN A 515 3.034 17.500 1.072 1.00 1.69 H new ATOM 666 N ASP A 516 2.979 12.239 4.334 1.00 0.36 N ATOM 667 CA ASP A 516 2.026 11.392 5.046 1.00 0.37 C ATOM 668 C ASP A 516 0.725 11.272 4.267 1.00 0.34 C ATOM 669 O ASP A 516 -0.364 11.361 4.834 1.00 0.41 O ATOM 670 CB ASP A 516 1.754 11.937 6.453 1.00 0.45 C ATOM 671 CG ASP A 516 2.982 11.904 7.337 1.00 0.89 C ATOM 672 OD1 ASP A 516 3.732 12.904 7.362 1.00 1.60 O ATOM 673 OD2 ASP A 516 3.209 10.879 8.016 1.00 1.62 O ATOM 0 H ASP A 516 3.885 11.798 4.175 1.00 0.36 H new ATOM 0 HA ASP A 516 2.466 10.399 5.141 1.00 0.37 H new ATOM 0 HB2 ASP A 516 1.392 12.963 6.378 1.00 0.45 H new ATOM 0 HB3 ASP A 516 0.960 11.352 6.918 1.00 0.45 H new ATOM 678 N ALA A 517 0.848 11.091 2.961 1.00 0.31 N ATOM 679 CA ALA A 517 -0.312 10.940 2.101 1.00 0.30 C ATOM 680 C ALA A 517 -0.878 9.537 2.226 1.00 0.25 C ATOM 681 O ALA A 517 -0.136 8.557 2.174 1.00 0.23 O ATOM 682 CB ALA A 517 0.055 11.241 0.659 1.00 0.32 C ATOM 0 H ALA A 517 1.743 11.045 2.474 1.00 0.31 H new ATOM 0 HA ALA A 517 -1.076 11.651 2.416 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.825 11.123 0.027 1.00 0.32 H new ATOM 0 HB2 ALA A 517 0.422 12.265 0.583 1.00 0.32 H new ATOM 0 HB3 ALA A 517 0.832 10.552 0.330 1.00 0.32 H new ATOM 688 N LYS A 518 -2.186 9.439 2.385 1.00 0.28 N ATOM 689 CA LYS A 518 -2.824 8.150 2.592 1.00 0.28 C ATOM 690 C LYS A 518 -3.331 7.573 1.283 1.00 0.24 C ATOM 691 O LYS A 518 -4.097 8.207 0.560 1.00 0.38 O ATOM 692 CB LYS A 518 -3.976 8.243 3.597 1.00 0.41 C ATOM 693 CG LYS A 518 -3.527 8.310 5.047 1.00 0.56 C ATOM 694 CD LYS A 518 -2.924 9.658 5.393 1.00 0.64 C ATOM 695 CE LYS A 518 -2.359 9.675 6.806 1.00 0.99 C ATOM 696 NZ LYS A 518 -3.416 9.501 7.837 1.00 1.55 N ATOM 0 H LYS A 518 -2.826 10.233 2.375 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.065 7.484 3.001 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -4.572 9.127 3.371 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -4.627 7.378 3.469 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -4.378 8.115 5.700 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -2.794 7.526 5.236 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -2.133 9.896 4.682 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -3.684 10.433 5.296 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -1.619 8.881 6.909 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -1.840 10.618 6.976 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -2.998 9.604 8.784 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -4.153 10.223 7.704 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -3.838 8.555 7.746 1.00 1.55 H new ATOM 710 N LEU A 519 -2.881 6.372 0.987 1.00 0.16 N ATOM 711 CA LEU A 519 -3.347 5.634 -0.169 1.00 0.15 C ATOM 712 C LEU A 519 -4.312 4.549 0.278 1.00 0.14 C ATOM 713 O LEU A 519 -4.066 3.865 1.272 1.00 0.21 O ATOM 714 CB LEU A 519 -2.166 5.013 -0.916 1.00 0.20 C ATOM 715 CG LEU A 519 -2.541 4.016 -2.012 1.00 0.25 C ATOM 716 CD1 LEU A 519 -3.297 4.708 -3.137 1.00 0.89 C ATOM 717 CD2 LEU A 519 -1.300 3.324 -2.544 1.00 0.72 C ATOM 0 H LEU A 519 -2.181 5.879 1.541 1.00 0.16 H new ATOM 0 HA LEU A 519 -3.861 6.318 -0.845 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.577 5.814 -1.362 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.524 4.510 -0.193 1.00 0.20 H new ATOM 0 HG LEU A 519 -3.198 3.261 -1.580 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -3.553 3.979 -3.905 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -4.209 5.154 -2.742 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -2.670 5.487 -3.571 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -1.584 2.617 -3.324 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -0.618 4.067 -2.958 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -0.805 2.790 -1.733 1.00 0.72 H new ATOM 729 N TYR A 520 -5.411 4.403 -0.443 1.00 0.12 N ATOM 730 CA TYR A 520 -6.408 3.402 -0.118 1.00 0.14 C ATOM 731 C TYR A 520 -6.585 2.448 -1.288 1.00 0.16 C ATOM 732 O TYR A 520 -7.017 2.848 -2.368 1.00 0.22 O ATOM 733 CB TYR A 520 -7.738 4.069 0.223 1.00 0.19 C ATOM 734 CG TYR A 520 -7.645 5.072 1.356 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.889 4.685 2.664 1.00 0.96 C ATOM 736 CD2 TYR A 520 -7.304 6.400 1.118 1.00 1.05 C ATOM 737 CE1 TYR A 520 -7.799 5.590 3.705 1.00 0.97 C ATOM 738 CE2 TYR A 520 -7.212 7.311 2.154 1.00 1.10 C ATOM 739 CZ TYR A 520 -7.459 6.900 3.446 1.00 0.40 C ATOM 740 OH TYR A 520 -7.362 7.802 4.485 1.00 0.50 O ATOM 0 H TYR A 520 -5.634 4.969 -1.261 1.00 0.12 H new ATOM 0 HA TYR A 520 -6.070 2.838 0.751 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.120 4.572 -0.665 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.462 3.299 0.490 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -8.154 3.659 2.874 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -7.108 6.725 0.107 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -7.995 5.271 4.718 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -6.948 8.339 1.952 1.00 1.10 H new ATOM 0 HH TYR A 520 -7.112 8.682 4.132 1.00 0.50 H new ATOM 750 N VAL A 521 -6.233 1.196 -1.073 1.00 0.17 N ATOM 751 CA VAL A 521 -6.313 0.188 -2.121 1.00 0.17 C ATOM 752 C VAL A 521 -7.262 -0.932 -1.717 1.00 0.18 C ATOM 753 O VAL A 521 -7.119 -1.515 -0.649 1.00 0.20 O ATOM 754 CB VAL A 521 -4.925 -0.414 -2.445 1.00 0.19 C ATOM 755 CG1 VAL A 521 -5.046 -1.518 -3.485 1.00 0.33 C ATOM 756 CG2 VAL A 521 -3.971 0.665 -2.930 1.00 0.28 C ATOM 0 H VAL A 521 -5.887 0.848 -0.179 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.691 0.686 -3.014 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.522 -0.845 -1.529 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -4.058 -1.927 -3.698 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.692 -2.309 -3.103 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.475 -1.110 -4.400 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -3.001 0.220 -3.152 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.373 1.128 -3.831 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -3.854 1.422 -2.155 1.00 0.28 H new ATOM 766 N PRO A 522 -8.248 -1.245 -2.564 1.00 0.19 N ATOM 767 CA PRO A 522 -9.180 -2.337 -2.299 1.00 0.22 C ATOM 768 C PRO A 522 -8.461 -3.679 -2.306 1.00 0.20 C ATOM 769 O PRO A 522 -7.582 -3.917 -3.138 1.00 0.19 O ATOM 770 CB PRO A 522 -10.182 -2.250 -3.455 1.00 0.25 C ATOM 771 CG PRO A 522 -9.471 -1.513 -4.534 1.00 0.22 C ATOM 772 CD PRO A 522 -8.518 -0.577 -3.847 1.00 0.19 C ATOM 0 HA PRO A 522 -9.655 -2.257 -1.321 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.484 -3.242 -3.789 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -11.088 -1.726 -3.152 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -8.936 -2.202 -5.188 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -10.175 -0.962 -5.158 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.606 -0.436 -4.426 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -8.959 0.409 -3.701 1.00 0.19 H new ATOM 780 N VAL A 523 -8.835 -4.555 -1.381 1.00 0.22 N ATOM 781 CA VAL A 523 -8.185 -5.858 -1.250 1.00 0.24 C ATOM 782 C VAL A 523 -8.428 -6.732 -2.481 1.00 0.25 C ATOM 783 O VAL A 523 -7.780 -7.760 -2.664 1.00 0.32 O ATOM 784 CB VAL A 523 -8.644 -6.612 0.016 1.00 0.29 C ATOM 785 CG1 VAL A 523 -8.142 -5.906 1.266 1.00 0.31 C ATOM 786 CG2 VAL A 523 -10.157 -6.748 0.049 1.00 0.30 C ATOM 0 H VAL A 523 -9.585 -4.389 -0.710 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.117 -5.658 -1.162 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.216 -7.614 -0.011 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -8.474 -6.451 2.150 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -7.053 -5.870 1.251 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.539 -4.891 1.295 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -10.455 -7.283 0.951 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -10.611 -5.757 0.048 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -10.492 -7.302 -0.828 1.00 0.30 H new ATOM 796 N SER A 524 -9.353 -6.307 -3.328 1.00 0.24 N ATOM 797 CA SER A 524 -9.631 -7.008 -4.569 1.00 0.28 C ATOM 798 C SER A 524 -8.680 -6.541 -5.677 1.00 0.28 C ATOM 799 O SER A 524 -8.691 -7.079 -6.782 1.00 0.37 O ATOM 800 CB SER A 524 -11.085 -6.780 -4.982 1.00 0.36 C ATOM 801 OG SER A 524 -11.435 -7.569 -6.107 1.00 1.34 O ATOM 0 H SER A 524 -9.925 -5.476 -3.176 1.00 0.24 H new ATOM 0 HA SER A 524 -9.472 -8.075 -4.411 1.00 0.28 H new ATOM 0 HB2 SER A 524 -11.744 -7.022 -4.148 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.238 -5.726 -5.214 1.00 0.36 H new ATOM 0 HG SER A 524 -10.656 -7.665 -6.694 1.00 1.34 H new ATOM 807 N SER A 525 -7.856 -5.544 -5.377 1.00 0.24 N ATOM 808 CA SER A 525 -6.891 -5.033 -6.343 1.00 0.25 C ATOM 809 C SER A 525 -5.469 -5.319 -5.874 1.00 0.24 C ATOM 810 O SER A 525 -4.511 -4.673 -6.304 1.00 0.27 O ATOM 811 CB SER A 525 -7.092 -3.533 -6.551 1.00 0.27 C ATOM 812 OG SER A 525 -8.410 -3.254 -6.991 1.00 0.28 O ATOM 0 H SER A 525 -7.837 -5.073 -4.472 1.00 0.24 H new ATOM 0 HA SER A 525 -7.050 -5.540 -7.295 1.00 0.25 H new ATOM 0 HB2 SER A 525 -6.896 -3.003 -5.619 1.00 0.27 H new ATOM 0 HB3 SER A 525 -6.374 -3.164 -7.284 1.00 0.27 H new ATOM 0 HG SER A 525 -8.479 -2.308 -7.238 1.00 0.28 H new ATOM 818 N LEU A 526 -5.340 -6.312 -5.004 1.00 0.25 N ATOM 819 CA LEU A 526 -4.048 -6.688 -4.446 1.00 0.26 C ATOM 820 C LEU A 526 -3.154 -7.319 -5.504 1.00 0.30 C ATOM 821 O LEU A 526 -1.932 -7.293 -5.392 1.00 0.39 O ATOM 822 CB LEU A 526 -4.234 -7.649 -3.271 1.00 0.31 C ATOM 823 CG LEU A 526 -4.813 -7.013 -2.009 1.00 0.38 C ATOM 824 CD1 LEU A 526 -4.920 -8.038 -0.890 1.00 0.51 C ATOM 825 CD2 LEU A 526 -3.965 -5.826 -1.576 1.00 0.46 C ATOM 0 H LEU A 526 -6.121 -6.875 -4.667 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.561 -5.781 -4.088 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -4.889 -8.462 -3.585 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.269 -8.093 -3.027 1.00 0.31 H new ATOM 0 HG LEU A 526 -5.817 -6.653 -2.234 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -5.335 -7.564 -0.001 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -5.572 -8.853 -1.204 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -3.930 -8.433 -0.662 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -4.391 -5.384 -0.675 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -2.948 -6.161 -1.370 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -3.947 -5.082 -2.372 1.00 0.46 H new ATOM 837 N HIS A 527 -3.767 -7.865 -6.546 1.00 0.31 N ATOM 838 CA HIS A 527 -3.011 -8.469 -7.640 1.00 0.41 C ATOM 839 C HIS A 527 -2.266 -7.411 -8.459 1.00 0.44 C ATOM 840 O HIS A 527 -1.543 -7.738 -9.397 1.00 0.64 O ATOM 841 CB HIS A 527 -3.921 -9.320 -8.547 1.00 0.50 C ATOM 842 CG HIS A 527 -5.081 -8.588 -9.164 1.00 1.49 C ATOM 843 ND1 HIS A 527 -6.374 -8.709 -8.702 1.00 2.24 N ATOM 844 CD2 HIS A 527 -5.146 -7.757 -10.231 1.00 2.53 C ATOM 845 CE1 HIS A 527 -7.180 -7.987 -9.458 1.00 3.18 C ATOM 846 NE2 HIS A 527 -6.461 -7.399 -10.394 1.00 3.40 N ATOM 0 H HIS A 527 -4.780 -7.903 -6.659 1.00 0.31 H new ATOM 0 HA HIS A 527 -2.268 -9.129 -7.193 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -3.314 -9.745 -9.347 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -4.309 -10.155 -7.964 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -4.316 -7.435 -10.842 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -8.248 -7.894 -9.331 1.00 3.18 H new ATOM 0 HE2 HIS A 527 -6.823 -6.780 -11.120 1.00 3.40 H new ATOM 855 N LEU A 528 -2.447 -6.146 -8.101 1.00 0.33 N ATOM 856 CA LEU A 528 -1.741 -5.054 -8.754 1.00 0.38 C ATOM 857 C LEU A 528 -0.574 -4.575 -7.891 1.00 0.41 C ATOM 858 O LEU A 528 0.350 -3.918 -8.377 1.00 0.57 O ATOM 859 CB LEU A 528 -2.702 -3.895 -9.019 1.00 0.36 C ATOM 860 CG LEU A 528 -3.908 -4.233 -9.898 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.842 -3.039 -10.001 1.00 0.34 C ATOM 862 CD2 LEU A 528 -3.453 -4.671 -11.280 1.00 0.42 C ATOM 0 H LEU A 528 -3.080 -5.851 -7.358 1.00 0.33 H new ATOM 0 HA LEU A 528 -1.345 -5.417 -9.703 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -3.065 -3.519 -8.062 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -2.146 -3.084 -9.490 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.451 -5.058 -9.436 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.694 -3.297 -10.630 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -5.194 -2.766 -9.006 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -4.308 -2.197 -10.441 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -4.324 -4.907 -11.892 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.888 -3.866 -11.749 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.821 -5.554 -11.192 1.00 0.42 H new ATOM 874 N ILE A 529 -0.625 -4.908 -6.608 1.00 0.31 N ATOM 875 CA ILE A 529 0.405 -4.507 -5.662 1.00 0.29 C ATOM 876 C ILE A 529 1.559 -5.508 -5.664 1.00 0.31 C ATOM 877 O ILE A 529 1.368 -6.696 -5.931 1.00 0.42 O ATOM 878 CB ILE A 529 -0.186 -4.404 -4.237 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.398 -3.468 -4.234 1.00 0.32 C ATOM 880 CG2 ILE A 529 0.861 -3.921 -3.238 1.00 0.33 C ATOM 881 CD1 ILE A 529 -1.050 -2.007 -4.452 1.00 0.43 C ATOM 0 H ILE A 529 -1.377 -5.460 -6.197 1.00 0.31 H new ATOM 0 HA ILE A 529 0.783 -3.531 -5.967 1.00 0.29 H new ATOM 0 HB ILE A 529 -0.506 -5.400 -3.931 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -2.092 -3.786 -5.013 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -1.920 -3.569 -3.282 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.415 -3.859 -2.245 1.00 0.33 H new ATOM 0 HG22 ILE A 529 1.695 -4.622 -3.218 1.00 0.33 H new ATOM 0 HG23 ILE A 529 1.221 -2.937 -3.536 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -1.962 -1.410 -4.436 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.382 -1.670 -3.660 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.556 -1.891 -5.417 1.00 0.43 H new ATOM 893 N SER A 530 2.757 -5.015 -5.397 1.00 0.31 N ATOM 894 CA SER A 530 3.931 -5.856 -5.262 1.00 0.37 C ATOM 895 C SER A 530 4.737 -5.395 -4.064 1.00 0.31 C ATOM 896 O SER A 530 4.586 -4.264 -3.611 1.00 0.35 O ATOM 897 CB SER A 530 4.762 -5.799 -6.546 1.00 0.45 C ATOM 898 OG SER A 530 4.078 -6.425 -7.620 1.00 0.99 O ATOM 0 H SER A 530 2.941 -4.020 -5.268 1.00 0.31 H new ATOM 0 HA SER A 530 3.633 -6.892 -5.103 1.00 0.37 H new ATOM 0 HB2 SER A 530 4.974 -4.761 -6.801 1.00 0.45 H new ATOM 0 HB3 SER A 530 5.722 -6.290 -6.385 1.00 0.45 H new ATOM 0 HG SER A 530 4.627 -6.375 -8.431 1.00 0.99 H new ATOM 904 N ARG A 531 5.566 -6.270 -3.535 1.00 0.39 N ATOM 905 CA ARG A 531 6.285 -5.960 -2.319 1.00 0.42 C ATOM 906 C ARG A 531 7.745 -5.645 -2.610 1.00 0.36 C ATOM 907 O ARG A 531 8.388 -6.319 -3.416 1.00 0.41 O ATOM 908 CB ARG A 531 6.176 -7.119 -1.336 1.00 0.57 C ATOM 909 CG ARG A 531 6.585 -6.730 0.066 1.00 0.54 C ATOM 910 CD ARG A 531 6.451 -7.886 1.040 1.00 0.95 C ATOM 911 NE ARG A 531 7.260 -9.038 0.644 1.00 1.31 N ATOM 912 CZ ARG A 531 8.273 -9.525 1.359 1.00 1.92 C ATOM 913 NH1 ARG A 531 8.674 -8.909 2.466 1.00 2.47 N ATOM 914 NH2 ARG A 531 8.906 -10.616 0.948 1.00 2.51 N ATOM 0 H ARG A 531 5.757 -7.193 -3.924 1.00 0.39 H new ATOM 0 HA ARG A 531 5.834 -5.074 -1.873 1.00 0.42 H new ATOM 0 HB2 ARG A 531 5.149 -7.485 -1.323 1.00 0.57 H new ATOM 0 HB3 ARG A 531 6.803 -7.942 -1.679 1.00 0.57 H new ATOM 0 HG2 ARG A 531 7.617 -6.380 0.058 1.00 0.54 H new ATOM 0 HG3 ARG A 531 5.969 -5.897 0.405 1.00 0.54 H new ATOM 0 HD2 ARG A 531 6.752 -7.558 2.035 1.00 0.95 H new ATOM 0 HD3 ARG A 531 5.405 -8.184 1.106 1.00 0.95 H new ATOM 0 HE ARG A 531 7.034 -9.499 -0.237 1.00 1.31 H new ATOM 0 HH11 ARG A 531 8.205 -8.057 2.774 1.00 2.47 H new ATOM 0 HH12 ARG A 531 9.450 -9.288 3.008 1.00 2.47 H new ATOM 0 HH21 ARG A 531 8.617 -11.080 0.087 1.00 2.51 H new ATOM 0 HH22 ARG A 531 9.682 -10.991 1.493 1.00 2.51 H new ATOM 928 N TYR A 532 8.254 -4.615 -1.951 1.00 0.37 N ATOM 929 CA TYR A 532 9.630 -4.192 -2.115 1.00 0.50 C ATOM 930 C TYR A 532 10.541 -5.058 -1.253 1.00 0.77 C ATOM 931 O TYR A 532 10.810 -4.733 -0.097 1.00 1.57 O ATOM 932 CB TYR A 532 9.755 -2.726 -1.703 1.00 0.57 C ATOM 933 CG TYR A 532 10.888 -1.988 -2.367 1.00 0.48 C ATOM 934 CD1 TYR A 532 10.628 -1.071 -3.369 1.00 1.43 C ATOM 935 CD2 TYR A 532 12.205 -2.202 -1.990 1.00 1.15 C ATOM 936 CE1 TYR A 532 11.653 -0.382 -3.987 1.00 1.48 C ATOM 937 CE2 TYR A 532 13.238 -1.518 -2.601 1.00 1.24 C ATOM 938 CZ TYR A 532 12.958 -0.608 -3.599 1.00 0.77 C ATOM 939 OH TYR A 532 13.983 0.077 -4.211 1.00 1.01 O ATOM 0 H TYR A 532 7.722 -4.051 -1.288 1.00 0.37 H new ATOM 0 HA TYR A 532 9.927 -4.301 -3.158 1.00 0.50 H new ATOM 0 HB2 TYR A 532 8.820 -2.215 -1.934 1.00 0.57 H new ATOM 0 HB3 TYR A 532 9.888 -2.675 -0.622 1.00 0.57 H new ATOM 0 HD1 TYR A 532 9.607 -0.891 -3.673 1.00 1.43 H new ATOM 0 HD2 TYR A 532 12.426 -2.913 -1.208 1.00 1.15 H new ATOM 0 HE1 TYR A 532 11.435 0.330 -4.769 1.00 1.48 H new ATOM 0 HE2 TYR A 532 14.260 -1.695 -2.299 1.00 1.24 H new ATOM 0 HH TYR A 532 14.839 -0.198 -3.821 1.00 1.01 H new ATOM 949 N ALA A 533 10.999 -6.165 -1.809 1.00 0.88 N ATOM 950 CA ALA A 533 11.830 -7.092 -1.063 1.00 1.11 C ATOM 951 C ALA A 533 13.098 -7.427 -1.830 1.00 1.43 C ATOM 952 O ALA A 533 13.048 -7.793 -3.006 1.00 1.88 O ATOM 953 CB ALA A 533 11.054 -8.361 -0.749 1.00 1.66 C ATOM 0 H ALA A 533 10.810 -6.443 -2.772 1.00 0.88 H new ATOM 0 HA ALA A 533 12.116 -6.612 -0.127 1.00 1.11 H new ATOM 0 HB1 ALA A 533 11.690 -9.047 -0.189 1.00 1.66 H new ATOM 0 HB2 ALA A 533 10.176 -8.112 -0.153 1.00 1.66 H new ATOM 0 HB3 ALA A 533 10.740 -8.835 -1.679 1.00 1.66 H new ATOM 959 N GLY A 534 14.233 -7.281 -1.171 1.00 1.85 N ATOM 960 CA GLY A 534 15.496 -7.638 -1.785 1.00 2.51 C ATOM 961 C GLY A 534 16.681 -7.167 -0.972 1.00 2.55 C ATOM 962 O GLY A 534 17.746 -6.878 -1.521 1.00 3.23 O ATOM 0 H GLY A 534 14.305 -6.921 -0.219 1.00 1.85 H new ATOM 0 HA2 GLY A 534 15.547 -8.720 -1.904 1.00 2.51 H new ATOM 0 HA3 GLY A 534 15.548 -7.204 -2.784 1.00 2.51 H new ATOM 966 N GLY A 535 16.492 -7.085 0.336 1.00 2.26 N ATOM 967 CA GLY A 535 17.540 -6.614 1.214 1.00 2.32 C ATOM 968 C GLY A 535 17.616 -5.106 1.229 1.00 1.64 C ATOM 969 O GLY A 535 18.632 -4.528 1.608 1.00 1.87 O ATOM 0 H GLY A 535 15.624 -7.339 0.807 1.00 2.26 H new ATOM 0 HA2 GLY A 535 17.360 -6.980 2.225 1.00 2.32 H new ATOM 0 HA3 GLY A 535 18.497 -7.024 0.892 1.00 2.32 H new ATOM 973 N ALA A 536 16.528 -4.467 0.831 1.00 1.36 N ATOM 974 CA ALA A 536 16.487 -3.017 0.725 1.00 1.04 C ATOM 975 C ALA A 536 15.141 -2.487 1.195 1.00 0.86 C ATOM 976 O ALA A 536 14.683 -1.438 0.750 1.00 0.93 O ATOM 977 CB ALA A 536 16.763 -2.582 -0.709 1.00 1.69 C ATOM 0 H ALA A 536 15.657 -4.932 0.575 1.00 1.36 H new ATOM 0 HA ALA A 536 17.263 -2.600 1.367 1.00 1.04 H new ATOM 0 HB1 ALA A 536 16.729 -1.494 -0.772 1.00 1.69 H new ATOM 0 HB2 ALA A 536 17.750 -2.932 -1.012 1.00 1.69 H new ATOM 0 HB3 ALA A 536 16.008 -3.008 -1.370 1.00 1.69 H new ATOM 983 N GLU A 537 14.522 -3.220 2.110 1.00 0.77 N ATOM 984 CA GLU A 537 13.204 -2.864 2.620 1.00 0.79 C ATOM 985 C GLU A 537 13.262 -1.565 3.422 1.00 0.66 C ATOM 986 O GLU A 537 12.379 -0.715 3.320 1.00 0.68 O ATOM 987 CB GLU A 537 12.631 -3.997 3.484 1.00 1.03 C ATOM 988 CG GLU A 537 12.363 -5.295 2.726 1.00 1.51 C ATOM 989 CD GLU A 537 13.624 -6.075 2.398 1.00 2.08 C ATOM 990 OE1 GLU A 537 14.118 -5.980 1.256 1.00 2.73 O ATOM 991 OE2 GLU A 537 14.133 -6.790 3.291 1.00 2.51 O ATOM 0 H GLU A 537 14.914 -4.070 2.517 1.00 0.77 H new ATOM 0 HA GLU A 537 12.545 -2.711 1.766 1.00 0.79 H new ATOM 0 HB2 GLU A 537 13.325 -4.203 4.298 1.00 1.03 H new ATOM 0 HB3 GLU A 537 11.700 -3.656 3.937 1.00 1.03 H new ATOM 0 HG2 GLU A 537 11.700 -5.924 3.321 1.00 1.51 H new ATOM 0 HG3 GLU A 537 11.837 -5.064 1.800 1.00 1.51 H new ATOM 998 N GLU A 538 14.315 -1.411 4.213 1.00 0.73 N ATOM 999 CA GLU A 538 14.509 -0.197 4.995 1.00 0.90 C ATOM 1000 C GLU A 538 15.037 0.920 4.101 1.00 0.90 C ATOM 1001 O GLU A 538 14.795 2.103 4.344 1.00 1.09 O ATOM 1002 CB GLU A 538 15.483 -0.463 6.145 1.00 1.12 C ATOM 1003 CG GLU A 538 15.775 0.757 7.004 1.00 2.06 C ATOM 1004 CD GLU A 538 16.756 0.458 8.115 1.00 2.73 C ATOM 1005 OE1 GLU A 538 17.974 0.408 7.841 1.00 3.26 O ATOM 1006 OE2 GLU A 538 16.314 0.269 9.265 1.00 3.34 O ATOM 0 H GLU A 538 15.048 -2.111 4.330 1.00 0.73 H new ATOM 0 HA GLU A 538 13.551 0.112 5.414 1.00 0.90 H new ATOM 0 HB2 GLU A 538 15.075 -1.251 6.778 1.00 1.12 H new ATOM 0 HB3 GLU A 538 16.420 -0.838 5.734 1.00 1.12 H new ATOM 0 HG2 GLU A 538 16.174 1.553 6.376 1.00 2.06 H new ATOM 0 HG3 GLU A 538 14.844 1.126 7.434 1.00 2.06 H new ATOM 1013 N ASN A 539 15.734 0.526 3.047 1.00 0.84 N ATOM 1014 CA ASN A 539 16.351 1.475 2.127 1.00 1.00 C ATOM 1015 C ASN A 539 15.418 1.799 0.969 1.00 0.82 C ATOM 1016 O ASN A 539 15.839 2.350 -0.048 1.00 0.94 O ATOM 1017 CB ASN A 539 17.677 0.919 1.601 1.00 1.28 C ATOM 1018 CG ASN A 539 18.770 0.934 2.652 1.00 1.84 C ATOM 1019 OD1 ASN A 539 19.504 1.914 2.780 1.00 2.35 O ATOM 1020 ND2 ASN A 539 18.885 -0.144 3.413 1.00 2.52 N ATOM 0 H ASN A 539 15.889 -0.453 2.804 1.00 0.84 H new ATOM 0 HA ASN A 539 16.547 2.398 2.673 1.00 1.00 H new ATOM 0 HB2 ASN A 539 17.526 -0.103 1.253 1.00 1.28 H new ATOM 0 HB3 ASN A 539 17.997 1.505 0.740 1.00 1.28 H new ATOM 0 HD21 ASN A 539 19.602 -0.183 4.137 1.00 2.52 H new ATOM 0 HD22 ASN A 539 18.256 -0.935 3.275 1.00 2.52 H new ATOM 1027 N ALA A 540 14.151 1.447 1.125 1.00 0.59 N ATOM 1028 CA ALA A 540 13.148 1.726 0.111 1.00 0.51 C ATOM 1029 C ALA A 540 12.822 3.217 0.075 1.00 0.47 C ATOM 1030 O ALA A 540 12.611 3.839 1.120 1.00 0.51 O ATOM 1031 CB ALA A 540 11.892 0.915 0.381 1.00 0.47 C ATOM 0 H ALA A 540 13.792 0.965 1.949 1.00 0.59 H new ATOM 0 HA ALA A 540 13.548 1.440 -0.862 1.00 0.51 H new ATOM 0 HB1 ALA A 540 11.147 1.132 -0.385 1.00 0.47 H new ATOM 0 HB2 ALA A 540 12.134 -0.148 0.361 1.00 0.47 H new ATOM 0 HB3 ALA A 540 11.493 1.178 1.360 1.00 0.47 H new ATOM 1037 N PRO A 541 12.804 3.809 -1.126 1.00 0.46 N ATOM 1038 CA PRO A 541 12.489 5.229 -1.308 1.00 0.45 C ATOM 1039 C PRO A 541 11.007 5.522 -1.079 1.00 0.45 C ATOM 1040 O PRO A 541 10.196 4.605 -0.952 1.00 0.60 O ATOM 1041 CB PRO A 541 12.879 5.499 -2.763 1.00 0.49 C ATOM 1042 CG PRO A 541 12.773 4.177 -3.443 1.00 0.53 C ATOM 1043 CD PRO A 541 13.092 3.135 -2.405 1.00 0.52 C ATOM 0 HA PRO A 541 13.016 5.862 -0.595 1.00 0.45 H new ATOM 0 HB2 PRO A 541 12.214 6.232 -3.220 1.00 0.49 H new ATOM 0 HB3 PRO A 541 13.891 5.899 -2.833 1.00 0.49 H new ATOM 0 HG2 PRO A 541 11.772 4.028 -3.847 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.467 4.115 -4.281 1.00 0.53 H new ATOM 0 HD2 PRO A 541 12.479 2.243 -2.533 1.00 0.52 H new ATOM 0 HD3 PRO A 541 14.133 2.818 -2.464 1.00 0.52 H new ATOM 1051 N LEU A 542 10.655 6.798 -1.026 1.00 0.37 N ATOM 1052 CA LEU A 542 9.282 7.188 -0.753 1.00 0.38 C ATOM 1053 C LEU A 542 8.744 8.114 -1.843 1.00 0.35 C ATOM 1054 O LEU A 542 9.293 9.193 -2.083 1.00 0.43 O ATOM 1055 CB LEU A 542 9.195 7.870 0.616 1.00 0.49 C ATOM 1056 CG LEU A 542 7.779 8.161 1.122 1.00 0.58 C ATOM 1057 CD1 LEU A 542 6.987 6.871 1.275 1.00 0.60 C ATOM 1058 CD2 LEU A 542 7.834 8.911 2.444 1.00 1.40 C ATOM 0 H LEU A 542 11.298 7.577 -1.168 1.00 0.37 H new ATOM 0 HA LEU A 542 8.666 6.289 -0.744 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.701 7.241 1.348 1.00 0.49 H new ATOM 0 HB3 LEU A 542 9.745 8.810 0.569 1.00 0.49 H new ATOM 0 HG LEU A 542 7.273 8.787 0.387 1.00 0.58 H new ATOM 0 HD11 LEU A 542 5.984 7.100 1.635 1.00 0.60 H new ATOM 0 HD12 LEU A 542 6.920 6.369 0.310 1.00 0.60 H new ATOM 0 HD13 LEU A 542 7.489 6.218 1.989 1.00 0.60 H new ATOM 0 HD21 LEU A 542 6.820 9.111 2.791 1.00 1.40 H new ATOM 0 HD22 LEU A 542 8.358 8.306 3.184 1.00 1.40 H new ATOM 0 HD23 LEU A 542 8.363 9.854 2.306 1.00 1.40 H new ATOM 1070 N HIS A 543 7.683 7.676 -2.512 1.00 0.31 N ATOM 1071 CA HIS A 543 7.018 8.492 -3.526 1.00 0.32 C ATOM 1072 C HIS A 543 5.952 9.366 -2.880 1.00 0.29 C ATOM 1073 O HIS A 543 5.598 9.163 -1.720 1.00 0.33 O ATOM 1074 CB HIS A 543 6.386 7.612 -4.612 1.00 0.43 C ATOM 1075 CG HIS A 543 7.348 7.172 -5.673 1.00 0.62 C ATOM 1076 ND1 HIS A 543 6.961 6.851 -6.959 1.00 0.69 N ATOM 1077 CD2 HIS A 543 8.690 6.998 -5.633 1.00 1.25 C ATOM 1078 CE1 HIS A 543 8.023 6.500 -7.660 1.00 1.06 C ATOM 1079 NE2 HIS A 543 9.084 6.581 -6.879 1.00 1.47 N ATOM 0 H HIS A 543 7.263 6.757 -2.371 1.00 0.31 H new ATOM 0 HA HIS A 543 7.768 9.129 -3.994 1.00 0.32 H new ATOM 0 HB2 HIS A 543 5.950 6.730 -4.143 1.00 0.43 H new ATOM 0 HB3 HIS A 543 5.569 8.161 -5.081 1.00 0.43 H new ATOM 0 HD1 HIS A 543 6.004 6.880 -7.312 1.00 0.69 H new ATOM 0 HD2 HIS A 543 9.331 7.158 -4.779 1.00 1.25 H new ATOM 0 HE1 HIS A 543 8.024 6.198 -8.697 1.00 1.06 H new ATOM 1088 N LYS A 544 5.454 10.342 -3.623 1.00 0.35 N ATOM 1089 CA LYS A 544 4.448 11.262 -3.105 1.00 0.44 C ATOM 1090 C LYS A 544 3.145 11.146 -3.895 1.00 0.43 C ATOM 1091 O LYS A 544 3.150 10.764 -5.068 1.00 0.61 O ATOM 1092 CB LYS A 544 4.977 12.698 -3.175 1.00 0.67 C ATOM 1093 CG LYS A 544 4.069 13.721 -2.516 1.00 1.35 C ATOM 1094 CD LYS A 544 4.653 15.119 -2.603 1.00 1.77 C ATOM 1095 CE LYS A 544 3.712 16.152 -2.008 1.00 2.62 C ATOM 1096 NZ LYS A 544 2.412 16.196 -2.727 1.00 3.40 N ATOM 0 H LYS A 544 5.729 10.519 -4.589 1.00 0.35 H new ATOM 0 HA LYS A 544 4.242 11.001 -2.067 1.00 0.44 H new ATOM 0 HB2 LYS A 544 5.957 12.737 -2.700 1.00 0.67 H new ATOM 0 HB3 LYS A 544 5.118 12.972 -4.220 1.00 0.67 H new ATOM 0 HG2 LYS A 544 3.091 13.704 -2.996 1.00 1.35 H new ATOM 0 HG3 LYS A 544 3.916 13.454 -1.470 1.00 1.35 H new ATOM 0 HD2 LYS A 544 5.608 15.149 -2.078 1.00 1.77 H new ATOM 0 HD3 LYS A 544 4.855 15.366 -3.645 1.00 1.77 H new ATOM 0 HE2 LYS A 544 3.538 15.922 -0.957 1.00 2.62 H new ATOM 0 HE3 LYS A 544 4.181 17.135 -2.046 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 1.865 17.020 -2.406 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 2.583 16.272 -3.750 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 1.876 15.327 -2.529 1.00 3.40 H new ATOM 1110 N LEU A 545 2.032 11.458 -3.241 1.00 0.44 N ATOM 1111 CA LEU A 545 0.736 11.492 -3.901 1.00 0.58 C ATOM 1112 C LEU A 545 0.359 12.933 -4.219 1.00 0.66 C ATOM 1113 O LEU A 545 0.721 13.855 -3.483 1.00 1.04 O ATOM 1114 CB LEU A 545 -0.343 10.853 -3.020 1.00 1.01 C ATOM 1115 CG LEU A 545 -0.115 9.380 -2.660 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -1.258 8.858 -1.803 1.00 0.85 C ATOM 1117 CD2 LEU A 545 0.034 8.536 -3.917 1.00 0.67 C ATOM 0 H LEU A 545 2.004 11.692 -2.249 1.00 0.44 H new ATOM 0 HA LEU A 545 0.805 10.921 -4.827 1.00 0.58 H new ATOM 0 HB2 LEU A 545 -0.420 11.427 -2.096 1.00 1.01 H new ATOM 0 HB3 LEU A 545 -1.302 10.940 -3.530 1.00 1.01 H new ATOM 0 HG LEU A 545 0.809 9.308 -2.087 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -1.080 7.811 -1.557 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -1.320 9.441 -0.884 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -2.195 8.947 -2.353 1.00 0.85 H new ATOM 0 HD21 LEU A 545 0.195 7.494 -3.639 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -0.872 8.615 -4.518 1.00 0.67 H new ATOM 0 HD23 LEU A 545 0.886 8.893 -4.496 1.00 0.67 H new ATOM 1129 N GLY A 546 -0.366 13.125 -5.312 1.00 1.15 N ATOM 1130 CA GLY A 546 -0.743 14.460 -5.731 1.00 1.43 C ATOM 1131 C GLY A 546 -1.998 14.946 -5.040 1.00 2.14 C ATOM 1132 O GLY A 546 -3.045 15.098 -5.670 1.00 2.85 O ATOM 0 H GLY A 546 -0.701 12.377 -5.919 1.00 1.15 H new ATOM 0 HA2 GLY A 546 0.075 15.149 -5.520 1.00 1.43 H new ATOM 0 HA3 GLY A 546 -0.898 14.470 -6.810 1.00 1.43 H new ATOM 1136 N GLY A 547 -1.894 15.182 -3.741 1.00 2.68 N ATOM 1137 CA GLY A 547 -3.022 15.662 -2.977 1.00 3.84 C ATOM 1138 C GLY A 547 -2.674 15.799 -1.514 1.00 4.60 C ATOM 1139 O GLY A 547 -1.488 16.035 -1.209 1.00 4.86 O ATOM 1140 OXT GLY A 547 -3.574 15.661 -0.662 1.00 5.29 O ATOM 0 H GLY A 547 -1.040 15.048 -3.200 1.00 2.68 H new ATOM 0 HA2 GLY A 547 -3.345 16.627 -3.368 1.00 3.84 H new ATOM 0 HA3 GLY A 547 -3.860 14.975 -3.091 1.00 3.84 H new TER 1144 GLY A 547