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 493 TYR OH : rot 180:sc= -0.155 USER MOD Set 1.2: A 496 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 473 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 481 GLN : amide:sc= 0.271 K(o=0.27,f=-2.8!) USER MOD Single : A 485 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-1) USER MOD Single : A 488 HIS : no HE2:sc= 0.282 K(o=0.28,f=-1.6!) USER MOD Single : A 497 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 THR OG1 : rot 180:sc= 0 USER MOD Single : A 505 THR OG1 : rot 180:sc= 0 USER MOD Single : A 508 TYR OH : rot 180:sc= 0 USER MOD Single : A 510 MET CE :methyl 136:sc= -0.647 (180deg=-2.16!) USER MOD Single : A 512 THR OG1 : rot 67:sc= 0.695 USER MOD Single : A 513 TYR OH : rot -121:sc= 1.27 USER MOD Single : A 515 ASN : amide:sc= -0.432 K(o=-0.43,f=-0.94) USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 TYR OH : rot 180:sc= 0 USER MOD Single : A 524 SER OG : rot 180:sc= 0 USER MOD Single : A 525 SER OG : rot 180:sc= -0.82 USER MOD Single : A 527 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 530 SER OG : rot -129:sc= 1.05 USER MOD Single : A 532 TYR OH : rot 165:sc= 0 USER MOD Single : A 539 ASN :FLIP amide:sc= -0.0139 F(o=-1.1,f=-0.014) USER MOD Single : A 543 HIS : no HE2:sc= 0.0309 K(o=0.031,f=-0.89) USER MOD Single : A 544 LYS NZ :NH3+ -148:sc= 1.41 (180deg=0.942) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 472 3.731 -11.960 -5.637 1.00 1.75 N ATOM 2 CA ARG A 472 2.937 -11.126 -4.709 1.00 1.43 C ATOM 3 C ARG A 472 1.815 -11.949 -4.094 1.00 1.73 C ATOM 4 O ARG A 472 1.373 -12.942 -4.677 1.00 2.33 O ATOM 5 CB ARG A 472 2.342 -9.914 -5.435 1.00 1.05 C ATOM 6 CG ARG A 472 1.354 -10.281 -6.530 1.00 1.63 C ATOM 7 CD ARG A 472 0.657 -9.054 -7.096 1.00 2.44 C ATOM 8 NE ARG A 472 1.595 -8.135 -7.739 1.00 3.40 N ATOM 9 CZ ARG A 472 1.680 -7.946 -9.057 1.00 4.48 C ATOM 10 NH1 ARG A 472 0.905 -8.635 -9.889 1.00 4.87 N ATOM 11 NH2 ARG A 472 2.547 -7.067 -9.537 1.00 5.44 N ATOM 0 HA ARG A 472 3.602 -10.771 -3.922 1.00 1.43 H new ATOM 0 HB2 ARG A 472 1.843 -9.275 -4.707 1.00 1.05 H new ATOM 0 HB3 ARG A 472 3.152 -9.329 -5.870 1.00 1.05 H new ATOM 0 HG2 ARG A 472 1.877 -10.804 -7.331 1.00 1.63 H new ATOM 0 HG3 ARG A 472 0.610 -10.971 -6.132 1.00 1.63 H new ATOM 0 HD2 ARG A 472 -0.096 -9.367 -7.819 1.00 2.44 H new ATOM 0 HD3 ARG A 472 0.133 -8.534 -6.295 1.00 2.44 H new ATOM 0 HE ARG A 472 2.226 -7.603 -7.140 1.00 3.40 H new ATOM 0 HH11 ARG A 472 0.239 -9.314 -9.521 1.00 4.87 H new ATOM 0 HH12 ARG A 472 0.976 -8.484 -10.895 1.00 4.87 H new ATOM 0 HH21 ARG A 472 3.144 -6.540 -8.900 1.00 5.44 H new ATOM 0 HH22 ARG A 472 2.617 -6.917 -10.544 1.00 5.44 H new ATOM 27 N ASN A 473 1.373 -11.543 -2.916 1.00 1.77 N ATOM 28 CA ASN A 473 0.253 -12.194 -2.245 1.00 2.11 C ATOM 29 C ASN A 473 -0.430 -11.211 -1.307 1.00 1.62 C ATOM 30 O ASN A 473 -1.661 -11.147 -1.239 1.00 2.26 O ATOM 31 CB ASN A 473 0.726 -13.418 -1.455 1.00 2.96 C ATOM 32 CG ASN A 473 -0.413 -14.122 -0.737 1.00 3.43 C ATOM 33 OD1 ASN A 473 -1.549 -14.139 -1.210 1.00 3.75 O ATOM 34 ND2 ASN A 473 -0.118 -14.701 0.415 1.00 3.92 N ATOM 0 H ASN A 473 1.774 -10.760 -2.399 1.00 1.77 H new ATOM 0 HA ASN A 473 -0.455 -12.525 -3.004 1.00 2.11 H new ATOM 0 HB2 ASN A 473 1.212 -14.119 -2.134 1.00 2.96 H new ATOM 0 HB3 ASN A 473 1.475 -13.109 -0.726 1.00 2.96 H new ATOM 0 HD21 ASN A 473 -0.844 -15.183 0.944 1.00 3.92 H new ATOM 0 HD22 ASN A 473 0.836 -14.665 0.774 1.00 3.92 H new ATOM 41 N LEU A 474 0.391 -10.437 -0.601 1.00 1.02 N ATOM 42 CA LEU A 474 -0.084 -9.442 0.354 1.00 0.50 C ATOM 43 C LEU A 474 -0.913 -10.111 1.448 1.00 0.52 C ATOM 44 O LEU A 474 -0.742 -11.304 1.709 1.00 1.38 O ATOM 45 CB LEU A 474 -0.894 -8.332 -0.342 1.00 0.67 C ATOM 46 CG LEU A 474 -0.137 -7.499 -1.392 1.00 0.54 C ATOM 47 CD1 LEU A 474 1.340 -7.370 -1.051 1.00 1.29 C ATOM 48 CD2 LEU A 474 -0.310 -8.089 -2.773 1.00 0.94 C ATOM 0 H LEU A 474 1.407 -10.483 -0.676 1.00 1.02 H new ATOM 0 HA LEU A 474 0.787 -8.973 0.811 1.00 0.50 H new ATOM 0 HB2 LEU A 474 -1.758 -8.789 -0.824 1.00 0.67 H new ATOM 0 HB3 LEU A 474 -1.276 -7.655 0.422 1.00 0.67 H new ATOM 0 HG LEU A 474 -0.568 -6.498 -1.383 1.00 0.54 H new ATOM 0 HD11 LEU A 474 1.839 -6.775 -1.816 1.00 1.29 H new ATOM 0 HD12 LEU A 474 1.449 -6.881 -0.083 1.00 1.29 H new ATOM 0 HD13 LEU A 474 1.792 -8.361 -1.010 1.00 1.29 H new ATOM 0 HD21 LEU A 474 0.234 -7.483 -3.498 1.00 0.94 H new ATOM 0 HD22 LEU A 474 0.080 -9.107 -2.785 1.00 0.94 H new ATOM 0 HD23 LEU A 474 -1.368 -8.103 -3.033 1.00 0.94 H new ATOM 60 N ALA A 475 -1.782 -9.331 2.101 1.00 1.09 N ATOM 61 CA ALA A 475 -2.622 -9.805 3.211 1.00 1.19 C ATOM 62 C ALA A 475 -1.790 -10.047 4.470 1.00 1.15 C ATOM 63 O ALA A 475 -2.154 -9.607 5.558 1.00 1.34 O ATOM 64 CB ALA A 475 -3.405 -11.056 2.827 1.00 1.36 C ATOM 0 H ALA A 475 -1.924 -8.347 1.874 1.00 1.09 H new ATOM 0 HA ALA A 475 -3.344 -9.018 3.430 1.00 1.19 H new ATOM 0 HB1 ALA A 475 -4.014 -11.377 3.672 1.00 1.36 H new ATOM 0 HB2 ALA A 475 -4.051 -10.835 1.977 1.00 1.36 H new ATOM 0 HB3 ALA A 475 -2.710 -11.852 2.557 1.00 1.36 H new ATOM 70 N GLU A 476 -0.669 -10.736 4.311 1.00 1.05 N ATOM 71 CA GLU A 476 0.276 -10.957 5.398 1.00 1.13 C ATOM 72 C GLU A 476 1.292 -9.817 5.440 1.00 0.88 C ATOM 73 O GLU A 476 2.449 -10.001 5.823 1.00 0.99 O ATOM 74 CB GLU A 476 0.981 -12.300 5.209 1.00 1.40 C ATOM 75 CG GLU A 476 0.031 -13.484 5.227 1.00 1.65 C ATOM 76 CD GLU A 476 0.704 -14.786 4.855 1.00 1.89 C ATOM 77 OE1 GLU A 476 0.567 -15.216 3.689 1.00 2.45 O ATOM 78 OE2 GLU A 476 1.362 -15.395 5.725 1.00 2.32 O ATOM 0 H GLU A 476 -0.388 -11.158 3.426 1.00 1.05 H new ATOM 0 HA GLU A 476 -0.262 -10.979 6.346 1.00 1.13 H new ATOM 0 HB2 GLU A 476 1.520 -12.290 4.262 1.00 1.40 H new ATOM 0 HB3 GLU A 476 1.724 -12.427 5.997 1.00 1.40 H new ATOM 0 HG2 GLU A 476 -0.405 -13.578 6.221 1.00 1.65 H new ATOM 0 HG3 GLU A 476 -0.790 -13.295 4.535 1.00 1.65 H new ATOM 85 N LEU A 477 0.837 -8.643 5.026 1.00 0.62 N ATOM 86 CA LEU A 477 1.668 -7.451 4.968 1.00 0.41 C ATOM 87 C LEU A 477 1.962 -6.919 6.363 1.00 0.48 C ATOM 88 O LEU A 477 1.081 -6.875 7.223 1.00 0.70 O ATOM 89 CB LEU A 477 0.968 -6.380 4.131 1.00 0.33 C ATOM 90 CG LEU A 477 1.126 -6.531 2.619 1.00 0.27 C ATOM 91 CD1 LEU A 477 0.038 -5.761 1.882 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.499 -6.034 2.200 1.00 0.34 C ATOM 0 H LEU A 477 -0.124 -8.491 4.720 1.00 0.62 H new ATOM 0 HA LEU A 477 2.618 -7.713 4.503 1.00 0.41 H new ATOM 0 HB2 LEU A 477 -0.095 -6.390 4.372 1.00 0.33 H new ATOM 0 HB3 LEU A 477 1.352 -5.403 4.425 1.00 0.33 H new ATOM 0 HG LEU A 477 1.029 -7.585 2.359 1.00 0.27 H new ATOM 0 HD11 LEU A 477 0.171 -5.883 0.807 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -0.940 -6.145 2.173 1.00 0.32 H new ATOM 0 HD13 LEU A 477 0.104 -4.704 2.138 1.00 0.32 H new ATOM 0 HD21 LEU A 477 2.611 -6.142 1.121 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.605 -4.984 2.473 1.00 0.34 H new ATOM 0 HD23 LEU A 477 3.268 -6.619 2.705 1.00 0.34 H new ATOM 104 N HIS A 478 3.205 -6.520 6.580 1.00 0.41 N ATOM 105 CA HIS A 478 3.632 -6.009 7.875 1.00 0.48 C ATOM 106 C HIS A 478 3.584 -4.487 7.894 1.00 0.36 C ATOM 107 O HIS A 478 3.688 -3.838 6.853 1.00 0.30 O ATOM 108 CB HIS A 478 5.045 -6.504 8.201 1.00 0.63 C ATOM 109 CG HIS A 478 5.106 -7.961 8.543 1.00 1.07 C ATOM 110 ND1 HIS A 478 5.414 -8.427 9.802 1.00 1.59 N ATOM 111 CD2 HIS A 478 4.894 -9.061 7.782 1.00 1.83 C ATOM 112 CE1 HIS A 478 5.388 -9.748 9.799 1.00 1.99 C ATOM 113 NE2 HIS A 478 5.074 -10.157 8.587 1.00 2.14 N ATOM 0 H HIS A 478 3.940 -6.540 5.873 1.00 0.41 H new ATOM 0 HA HIS A 478 2.947 -6.382 8.636 1.00 0.48 H new ATOM 0 HB2 HIS A 478 5.694 -6.312 7.347 1.00 0.63 H new ATOM 0 HB3 HIS A 478 5.439 -5.926 9.037 1.00 0.63 H new ATOM 0 HD2 HIS A 478 4.632 -9.073 6.734 1.00 1.83 H new ATOM 0 HE1 HIS A 478 5.590 -10.385 10.647 1.00 1.99 H new ATOM 0 HE2 HIS A 478 4.980 -11.130 8.295 1.00 2.14 H new ATOM 122 N ILE A 479 3.419 -3.927 9.083 1.00 0.37 N ATOM 123 CA ILE A 479 3.285 -2.487 9.244 1.00 0.34 C ATOM 124 C ILE A 479 4.612 -1.785 8.987 1.00 0.31 C ATOM 125 O ILE A 479 5.630 -2.119 9.595 1.00 0.35 O ATOM 126 CB ILE A 479 2.797 -2.119 10.660 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.474 -2.829 10.985 1.00 0.54 C ATOM 128 CG2 ILE A 479 2.649 -0.608 10.792 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.345 -2.501 10.033 1.00 0.56 C ATOM 0 H ILE A 479 3.374 -4.452 9.956 1.00 0.37 H new ATOM 0 HA ILE A 479 2.546 -2.156 8.514 1.00 0.34 H new ATOM 0 HB ILE A 479 3.542 -2.457 11.380 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.641 -3.906 10.976 1.00 0.54 H new ATOM 0 HG13 ILE A 479 1.170 -2.562 11.997 1.00 0.54 H new ATOM 0 HG21 ILE A 479 2.304 -0.363 11.796 1.00 0.51 H new ATOM 0 HG22 ILE A 479 3.613 -0.131 10.613 1.00 0.51 H new ATOM 0 HG23 ILE A 479 1.925 -0.248 10.061 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.552 -3.043 10.332 1.00 0.56 H new ATOM 0 HD12 ILE A 479 0.147 -1.429 10.058 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.625 -2.794 9.021 1.00 0.56 H new ATOM 141 N GLY A 480 4.589 -0.812 8.088 1.00 0.30 N ATOM 142 CA GLY A 480 5.783 -0.060 7.775 1.00 0.38 C ATOM 143 C GLY A 480 6.569 -0.688 6.645 1.00 0.41 C ATOM 144 O GLY A 480 7.653 -0.217 6.291 1.00 0.63 O ATOM 0 H GLY A 480 3.758 -0.530 7.568 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.509 0.959 7.503 1.00 0.38 H new ATOM 0 HA3 GLY A 480 6.413 0.006 8.662 1.00 0.38 H new ATOM 148 N GLN A 481 6.014 -1.744 6.062 1.00 0.28 N ATOM 149 CA GLN A 481 6.695 -2.473 5.006 1.00 0.35 C ATOM 150 C GLN A 481 6.601 -1.714 3.692 1.00 0.30 C ATOM 151 O GLN A 481 5.520 -1.271 3.301 1.00 0.30 O ATOM 152 CB GLN A 481 6.088 -3.867 4.839 1.00 0.42 C ATOM 153 CG GLN A 481 7.131 -4.961 4.696 1.00 1.02 C ATOM 154 CD GLN A 481 7.956 -5.126 5.956 1.00 1.43 C ATOM 155 OE1 GLN A 481 7.471 -4.896 7.062 1.00 2.34 O ATOM 156 NE2 GLN A 481 9.214 -5.502 5.803 1.00 1.79 N ATOM 0 H GLN A 481 5.094 -2.112 6.305 1.00 0.28 H new ATOM 0 HA GLN A 481 7.744 -2.574 5.285 1.00 0.35 H new ATOM 0 HB2 GLN A 481 5.456 -4.087 5.700 1.00 0.42 H new ATOM 0 HB3 GLN A 481 5.443 -3.872 3.961 1.00 0.42 H new ATOM 0 HG2 GLN A 481 6.638 -5.904 4.460 1.00 1.02 H new ATOM 0 HG3 GLN A 481 7.789 -4.727 3.859 1.00 1.02 H new ATOM 0 HE21 GLN A 481 9.582 -5.684 4.869 1.00 1.79 H new ATOM 0 HE22 GLN A 481 9.817 -5.610 6.619 1.00 1.79 H new ATOM 165 N PRO A 482 7.731 -1.531 3.003 1.00 0.33 N ATOM 166 CA PRO A 482 7.746 -0.872 1.704 1.00 0.30 C ATOM 167 C PRO A 482 7.154 -1.760 0.613 1.00 0.28 C ATOM 168 O PRO A 482 7.619 -2.879 0.373 1.00 0.33 O ATOM 169 CB PRO A 482 9.230 -0.616 1.451 1.00 0.34 C ATOM 170 CG PRO A 482 9.934 -1.668 2.232 1.00 0.40 C ATOM 171 CD PRO A 482 9.078 -1.940 3.439 1.00 0.43 C ATOM 0 HA PRO A 482 7.144 0.037 1.692 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.468 -0.685 0.390 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.521 0.382 1.779 1.00 0.34 H new ATOM 0 HG2 PRO A 482 10.066 -2.572 1.637 1.00 0.40 H new ATOM 0 HG3 PRO A 482 10.928 -1.333 2.528 1.00 0.40 H new ATOM 0 HD2 PRO A 482 9.106 -2.992 3.722 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.411 -1.368 4.305 1.00 0.43 H new ATOM 179 N VAL A 483 6.123 -1.253 -0.035 1.00 0.24 N ATOM 180 CA VAL A 483 5.459 -1.967 -1.113 1.00 0.24 C ATOM 181 C VAL A 483 5.194 -1.016 -2.266 1.00 0.27 C ATOM 182 O VAL A 483 5.048 0.189 -2.060 1.00 0.39 O ATOM 183 CB VAL A 483 4.130 -2.603 -0.650 1.00 0.23 C ATOM 184 CG1 VAL A 483 4.390 -3.753 0.308 1.00 0.29 C ATOM 185 CG2 VAL A 483 3.232 -1.562 0.004 1.00 0.25 C ATOM 0 H VAL A 483 5.722 -0.338 0.169 1.00 0.24 H new ATOM 0 HA VAL A 483 6.119 -2.773 -1.435 1.00 0.24 H new ATOM 0 HB VAL A 483 3.619 -2.995 -1.530 1.00 0.23 H new ATOM 0 HG11 VAL A 483 3.441 -4.187 0.622 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.989 -4.514 -0.191 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.927 -3.384 1.182 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.302 -2.032 0.322 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.739 -1.137 0.870 1.00 0.25 H new ATOM 0 HG23 VAL A 483 3.012 -0.770 -0.712 1.00 0.25 H new ATOM 195 N VAL A 484 5.145 -1.545 -3.472 1.00 0.28 N ATOM 196 CA VAL A 484 4.956 -0.714 -4.640 1.00 0.31 C ATOM 197 C VAL A 484 3.565 -0.895 -5.226 1.00 0.28 C ATOM 198 O VAL A 484 3.075 -2.011 -5.417 1.00 0.29 O ATOM 199 CB VAL A 484 6.028 -0.977 -5.723 1.00 0.35 C ATOM 200 CG1 VAL A 484 7.415 -0.730 -5.164 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.921 -2.374 -6.274 1.00 0.31 C ATOM 0 H VAL A 484 5.233 -2.542 -3.667 1.00 0.28 H new ATOM 0 HA VAL A 484 5.065 0.318 -4.308 1.00 0.31 H new ATOM 0 HB VAL A 484 5.852 -0.282 -6.544 1.00 0.35 H new ATOM 0 HG11 VAL A 484 8.158 -0.919 -5.938 1.00 0.42 H new ATOM 0 HG12 VAL A 484 7.494 0.305 -4.830 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.592 -1.397 -4.321 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.689 -2.526 -7.033 1.00 0.31 H new ATOM 0 HG22 VAL A 484 6.060 -3.095 -5.468 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.937 -2.515 -6.721 1.00 0.31 H new ATOM 211 N HIS A 485 2.926 0.224 -5.469 1.00 0.34 N ATOM 212 CA HIS A 485 1.631 0.257 -6.123 1.00 0.29 C ATOM 213 C HIS A 485 1.865 0.496 -7.601 1.00 0.24 C ATOM 214 O HIS A 485 2.557 1.438 -7.967 1.00 0.29 O ATOM 215 CB HIS A 485 0.769 1.375 -5.522 1.00 0.36 C ATOM 216 CG HIS A 485 -0.670 1.376 -5.964 1.00 0.52 C ATOM 217 ND1 HIS A 485 -1.455 2.507 -5.948 1.00 1.09 N ATOM 218 CD2 HIS A 485 -1.472 0.378 -6.414 1.00 0.41 C ATOM 219 CE1 HIS A 485 -2.672 2.208 -6.365 1.00 1.19 C ATOM 220 NE2 HIS A 485 -2.707 0.925 -6.654 1.00 0.73 N ATOM 0 H HIS A 485 3.288 1.144 -5.219 1.00 0.34 H new ATOM 0 HA HIS A 485 1.102 -0.685 -5.978 1.00 0.29 H new ATOM 0 HB2 HIS A 485 0.800 1.293 -4.436 1.00 0.36 H new ATOM 0 HB3 HIS A 485 1.214 2.336 -5.782 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -1.190 -0.655 -6.557 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -3.497 2.899 -6.454 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -3.522 0.418 -7.001 1.00 0.73 H new ATOM 229 N LEU A 486 1.301 -0.368 -8.437 1.00 0.23 N ATOM 230 CA LEU A 486 1.524 -0.314 -9.886 1.00 0.30 C ATOM 231 C LEU A 486 1.192 1.064 -10.476 1.00 0.38 C ATOM 232 O LEU A 486 1.619 1.394 -11.579 1.00 0.52 O ATOM 233 CB LEU A 486 0.744 -1.454 -10.592 1.00 0.32 C ATOM 234 CG LEU A 486 -0.788 -1.315 -10.766 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.468 -0.751 -9.529 1.00 0.37 C ATOM 236 CD2 LEU A 486 -1.127 -0.485 -11.991 1.00 0.48 C ATOM 0 H LEU A 486 0.681 -1.121 -8.138 1.00 0.23 H new ATOM 0 HA LEU A 486 2.588 -0.468 -10.067 1.00 0.30 H new ATOM 0 HB2 LEU A 486 1.178 -1.586 -11.583 1.00 0.32 H new ATOM 0 HB3 LEU A 486 0.931 -2.374 -10.038 1.00 0.32 H new ATOM 0 HG LEU A 486 -1.176 -2.323 -10.911 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -2.541 -0.675 -9.706 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -1.286 -1.411 -8.681 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -1.065 0.238 -9.311 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -2.210 -0.404 -12.088 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -0.697 0.511 -11.886 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -0.718 -0.965 -12.880 1.00 0.48 H new ATOM 248 N GLU A 487 0.433 1.861 -9.732 1.00 0.38 N ATOM 249 CA GLU A 487 0.099 3.213 -10.149 1.00 0.54 C ATOM 250 C GLU A 487 1.165 4.231 -9.739 1.00 0.55 C ATOM 251 O GLU A 487 1.693 4.952 -10.583 1.00 0.69 O ATOM 252 CB GLU A 487 -1.252 3.620 -9.571 1.00 0.64 C ATOM 253 CG GLU A 487 -2.430 2.987 -10.289 1.00 0.76 C ATOM 254 CD GLU A 487 -2.453 3.336 -11.764 1.00 1.47 C ATOM 255 OE1 GLU A 487 -2.270 2.432 -12.597 1.00 2.37 O ATOM 256 OE2 GLU A 487 -2.634 4.525 -12.099 1.00 1.85 O ATOM 0 H GLU A 487 0.037 1.590 -8.832 1.00 0.38 H new ATOM 0 HA GLU A 487 0.052 3.210 -11.238 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -1.287 3.343 -8.517 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -1.347 4.705 -9.618 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -2.385 1.904 -10.174 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -3.358 3.319 -9.824 1.00 0.76 H new ATOM 263 N HIS A 488 1.490 4.294 -8.448 1.00 0.44 N ATOM 264 CA HIS A 488 2.396 5.341 -7.955 1.00 0.48 C ATOM 265 C HIS A 488 3.790 4.819 -7.641 1.00 0.42 C ATOM 266 O HIS A 488 4.779 5.488 -7.925 1.00 0.52 O ATOM 267 CB HIS A 488 1.818 6.045 -6.729 1.00 0.53 C ATOM 268 CG HIS A 488 0.965 7.227 -7.071 1.00 0.71 C ATOM 269 ND1 HIS A 488 1.320 8.525 -6.772 1.00 1.44 N ATOM 270 CD2 HIS A 488 -0.232 7.303 -7.694 1.00 1.14 C ATOM 271 CE1 HIS A 488 0.373 9.344 -7.193 1.00 1.39 C ATOM 272 NE2 HIS A 488 -0.579 8.628 -7.756 1.00 1.12 N ATOM 0 H HIS A 488 1.150 3.649 -7.735 1.00 0.44 H new ATOM 0 HA HIS A 488 2.491 6.060 -8.769 1.00 0.48 H new ATOM 0 HB2 HIS A 488 1.226 5.332 -6.155 1.00 0.53 H new ATOM 0 HB3 HIS A 488 2.636 6.370 -6.086 1.00 0.53 H new ATOM 0 HD1 HIS A 488 2.179 8.808 -6.300 1.00 1.44 H new ATOM 0 HD2 HIS A 488 -0.809 6.473 -8.073 1.00 1.14 H new ATOM 0 HE1 HIS A 488 0.378 10.419 -7.093 1.00 1.39 H new ATOM 281 N GLY A 489 3.879 3.639 -7.057 1.00 0.37 N ATOM 282 CA GLY A 489 5.180 3.075 -6.769 1.00 0.39 C ATOM 283 C GLY A 489 5.377 2.765 -5.304 1.00 0.29 C ATOM 284 O GLY A 489 4.426 2.413 -4.603 1.00 0.25 O ATOM 0 H GLY A 489 3.084 3.064 -6.778 1.00 0.37 H new ATOM 0 HA2 GLY A 489 5.310 2.161 -7.349 1.00 0.39 H new ATOM 0 HA3 GLY A 489 5.952 3.772 -7.094 1.00 0.39 H new ATOM 288 N VAL A 490 6.614 2.906 -4.850 1.00 0.30 N ATOM 289 CA VAL A 490 7.009 2.526 -3.500 1.00 0.27 C ATOM 290 C VAL A 490 6.375 3.416 -2.426 1.00 0.21 C ATOM 291 O VAL A 490 6.409 4.650 -2.505 1.00 0.23 O ATOM 292 CB VAL A 490 8.551 2.543 -3.363 1.00 0.34 C ATOM 293 CG1 VAL A 490 9.116 3.912 -3.707 1.00 0.94 C ATOM 294 CG2 VAL A 490 8.987 2.119 -1.968 1.00 1.06 C ATOM 0 H VAL A 490 7.376 3.289 -5.410 1.00 0.30 H new ATOM 0 HA VAL A 490 6.640 1.514 -3.337 1.00 0.27 H new ATOM 0 HB VAL A 490 8.951 1.821 -4.075 1.00 0.34 H new ATOM 0 HG11 VAL A 490 10.201 3.895 -3.602 1.00 0.94 H new ATOM 0 HG12 VAL A 490 8.855 4.166 -4.734 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.698 4.658 -3.031 1.00 0.94 H new ATOM 0 HG21 VAL A 490 10.075 2.141 -1.904 1.00 1.06 H new ATOM 0 HG22 VAL A 490 8.566 2.804 -1.232 1.00 1.06 H new ATOM 0 HG23 VAL A 490 8.633 1.108 -1.768 1.00 1.06 H new ATOM 304 N GLY A 491 5.778 2.764 -1.438 1.00 0.18 N ATOM 305 CA GLY A 491 5.224 3.449 -0.290 1.00 0.18 C ATOM 306 C GLY A 491 5.365 2.606 0.964 1.00 0.16 C ATOM 307 O GLY A 491 5.845 1.475 0.898 1.00 0.16 O ATOM 0 H GLY A 491 5.667 1.750 -1.414 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.732 4.403 -0.151 1.00 0.18 H new ATOM 0 HA3 GLY A 491 4.172 3.671 -0.467 1.00 0.18 H new ATOM 311 N ARG A 492 4.942 3.139 2.100 1.00 0.17 N ATOM 312 CA ARG A 492 5.025 2.410 3.361 1.00 0.17 C ATOM 313 C ARG A 492 3.654 1.908 3.789 1.00 0.14 C ATOM 314 O ARG A 492 2.748 2.697 4.058 1.00 0.18 O ATOM 315 CB ARG A 492 5.621 3.296 4.448 1.00 0.24 C ATOM 316 CG ARG A 492 7.082 3.630 4.214 1.00 0.37 C ATOM 317 CD ARG A 492 7.969 2.408 4.413 1.00 0.44 C ATOM 318 NE ARG A 492 9.392 2.746 4.374 1.00 0.98 N ATOM 319 CZ ARG A 492 10.359 1.980 4.880 1.00 1.21 C ATOM 320 NH1 ARG A 492 10.063 0.830 5.478 1.00 1.35 N ATOM 321 NH2 ARG A 492 11.624 2.377 4.796 1.00 1.93 N ATOM 0 H ARG A 492 4.538 4.072 2.177 1.00 0.17 H new ATOM 0 HA ARG A 492 5.675 1.548 3.211 1.00 0.17 H new ATOM 0 HB2 ARG A 492 5.049 4.222 4.507 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.519 2.796 5.411 1.00 0.24 H new ATOM 0 HG2 ARG A 492 7.212 4.015 3.202 1.00 0.37 H new ATOM 0 HG3 ARG A 492 7.390 4.421 4.898 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.734 1.942 5.370 1.00 0.44 H new ATOM 0 HD3 ARG A 492 7.751 1.673 3.639 1.00 0.44 H new ATOM 0 HE ARG A 492 9.662 3.624 3.931 1.00 0.98 H new ATOM 0 HH11 ARG A 492 9.091 0.529 5.552 1.00 1.35 H new ATOM 0 HH12 ARG A 492 10.808 0.249 5.863 1.00 1.35 H new ATOM 0 HH21 ARG A 492 11.851 3.264 4.346 1.00 1.93 H new ATOM 0 HH22 ARG A 492 12.368 1.795 5.181 1.00 1.93 H new ATOM 335 N TYR A 493 3.509 0.593 3.833 1.00 0.15 N ATOM 336 CA TYR A 493 2.246 -0.039 4.183 1.00 0.14 C ATOM 337 C TYR A 493 1.840 0.302 5.610 1.00 0.14 C ATOM 338 O TYR A 493 2.662 0.240 6.524 1.00 0.15 O ATOM 339 CB TYR A 493 2.372 -1.554 4.037 1.00 0.15 C ATOM 340 CG TYR A 493 1.100 -2.304 4.340 1.00 0.15 C ATOM 341 CD1 TYR A 493 0.071 -2.363 3.412 1.00 1.14 C ATOM 342 CD2 TYR A 493 0.934 -2.963 5.550 1.00 1.21 C ATOM 343 CE1 TYR A 493 -1.089 -3.060 3.685 1.00 1.15 C ATOM 344 CE2 TYR A 493 -0.223 -3.660 5.831 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.232 -3.706 4.894 1.00 0.19 C ATOM 346 OH TYR A 493 -2.382 -4.409 5.166 1.00 0.23 O ATOM 0 H TYR A 493 4.261 -0.065 3.628 1.00 0.15 H new ATOM 0 HA TYR A 493 1.477 0.336 3.507 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.686 -1.786 3.019 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.159 -1.909 4.702 1.00 0.15 H new ATOM 0 HD1 TYR A 493 0.179 -1.857 2.464 1.00 1.14 H new ATOM 0 HD2 TYR A 493 1.725 -2.930 6.285 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -1.882 -3.099 2.953 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -0.337 -4.166 6.778 1.00 1.21 H new ATOM 0 HH TYR A 493 -2.320 -4.804 6.061 1.00 0.23 H new ATOM 356 N ALA A 494 0.579 0.656 5.806 1.00 0.18 N ATOM 357 CA ALA A 494 0.089 0.944 7.143 1.00 0.21 C ATOM 358 C ALA A 494 -1.300 0.377 7.368 1.00 0.21 C ATOM 359 O ALA A 494 -2.297 1.022 7.059 1.00 0.22 O ATOM 360 CB ALA A 494 0.062 2.440 7.378 1.00 0.25 C ATOM 0 H ALA A 494 -0.116 0.750 5.065 1.00 0.18 H new ATOM 0 HA ALA A 494 0.771 0.469 7.848 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.307 2.644 8.383 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.069 2.843 7.272 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.596 2.911 6.648 1.00 0.25 H new ATOM 366 N GLY A 495 -1.350 -0.801 7.966 1.00 0.22 N ATOM 367 CA GLY A 495 -2.610 -1.406 8.350 1.00 0.23 C ATOM 368 C GLY A 495 -3.626 -1.494 7.231 1.00 0.21 C ATOM 369 O GLY A 495 -3.284 -1.505 6.045 1.00 0.21 O ATOM 0 H GLY A 495 -0.527 -1.358 8.196 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.417 -2.409 8.729 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -3.040 -0.832 9.171 1.00 0.23 H new ATOM 373 N MET A 496 -4.880 -1.565 7.624 1.00 0.22 N ATOM 374 CA MET A 496 -5.990 -1.614 6.688 1.00 0.21 C ATOM 375 C MET A 496 -7.126 -0.736 7.178 1.00 0.22 C ATOM 376 O MET A 496 -7.297 -0.535 8.380 1.00 0.27 O ATOM 377 CB MET A 496 -6.494 -3.047 6.488 1.00 0.23 C ATOM 378 CG MET A 496 -5.652 -3.867 5.526 1.00 0.22 C ATOM 379 SD MET A 496 -6.365 -5.484 5.174 1.00 0.33 S ATOM 380 CE MET A 496 -5.179 -6.115 3.989 1.00 1.68 C ATOM 0 H MET A 496 -5.162 -1.591 8.604 1.00 0.22 H new ATOM 0 HA MET A 496 -5.630 -1.244 5.728 1.00 0.21 H new ATOM 0 HB2 MET A 496 -6.519 -3.551 7.454 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.519 -3.013 6.120 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.535 -3.316 4.593 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.655 -3.999 5.945 1.00 0.22 H new ATOM 0 HE1 MET A 496 -5.479 -7.114 3.671 1.00 1.68 H new ATOM 0 HE2 MET A 496 -5.143 -5.454 3.123 1.00 1.68 H new ATOM 0 HE3 MET A 496 -4.193 -6.162 4.451 1.00 1.68 H new ATOM 390 N THR A 497 -7.873 -0.197 6.241 1.00 0.20 N ATOM 391 CA THR A 497 -9.011 0.643 6.543 1.00 0.22 C ATOM 392 C THR A 497 -10.203 0.205 5.702 1.00 0.22 C ATOM 393 O THR A 497 -10.071 -0.049 4.510 1.00 0.20 O ATOM 394 CB THR A 497 -8.682 2.131 6.282 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.829 2.961 6.515 1.00 0.31 O ATOM 396 CG2 THR A 497 -8.178 2.339 4.860 1.00 0.24 C ATOM 0 H THR A 497 -7.708 -0.329 5.243 1.00 0.20 H new ATOM 0 HA THR A 497 -9.258 0.536 7.599 1.00 0.22 H new ATOM 0 HB THR A 497 -7.894 2.417 6.979 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.595 3.897 6.345 1.00 0.31 H new ATOM 0 HG21 THR A 497 -7.954 3.394 4.704 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.274 1.750 4.704 1.00 0.24 H new ATOM 0 HG23 THR A 497 -8.944 2.022 4.152 1.00 0.24 H new ATOM 404 N THR A 498 -11.360 0.094 6.312 1.00 0.28 N ATOM 405 CA THR A 498 -12.539 -0.289 5.568 1.00 0.29 C ATOM 406 C THR A 498 -13.279 0.958 5.113 1.00 0.29 C ATOM 407 O THR A 498 -13.456 1.902 5.886 1.00 0.36 O ATOM 408 CB THR A 498 -13.468 -1.177 6.409 1.00 0.36 C ATOM 409 OG1 THR A 498 -12.685 -2.103 7.175 1.00 0.84 O ATOM 410 CG2 THR A 498 -14.423 -1.951 5.522 1.00 0.67 C ATOM 0 H THR A 498 -11.511 0.260 7.307 1.00 0.28 H new ATOM 0 HA THR A 498 -12.224 -0.867 4.699 1.00 0.29 H new ATOM 0 HB THR A 498 -14.046 -0.535 7.074 1.00 0.36 H new ATOM 0 HG1 THR A 498 -13.279 -2.668 7.712 1.00 0.84 H new ATOM 0 HG21 THR A 498 -15.071 -2.573 6.140 1.00 0.67 H new ATOM 0 HG22 THR A 498 -15.031 -1.253 4.946 1.00 0.67 H new ATOM 0 HG23 THR A 498 -13.855 -2.584 4.841 1.00 0.67 H new ATOM 418 N LEU A 499 -13.703 0.964 3.863 1.00 0.27 N ATOM 419 CA LEU A 499 -14.356 2.126 3.297 1.00 0.31 C ATOM 420 C LEU A 499 -15.827 1.834 3.076 1.00 0.34 C ATOM 421 O LEU A 499 -16.198 0.926 2.326 1.00 0.39 O ATOM 422 CB LEU A 499 -13.678 2.554 1.992 1.00 0.32 C ATOM 423 CG LEU A 499 -12.222 3.011 2.141 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.671 3.489 0.809 1.00 0.34 C ATOM 425 CD2 LEU A 499 -12.105 4.112 3.187 1.00 0.39 C ATOM 0 H LEU A 499 -13.606 0.177 3.222 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.267 2.954 4.000 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.712 1.720 1.291 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.255 3.366 1.549 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.633 2.156 2.473 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.637 3.809 0.937 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.712 2.675 0.085 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -12.268 4.327 0.448 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -11.063 4.420 3.276 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -12.712 4.966 2.886 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -12.456 3.739 4.149 1.00 0.39 H new ATOM 437 N GLU A 500 -16.656 2.594 3.766 1.00 0.54 N ATOM 438 CA GLU A 500 -18.083 2.365 3.771 1.00 0.62 C ATOM 439 C GLU A 500 -18.779 3.269 2.766 1.00 0.79 C ATOM 440 O GLU A 500 -18.956 4.465 3.002 1.00 0.99 O ATOM 441 CB GLU A 500 -18.631 2.592 5.179 1.00 0.80 C ATOM 442 CG GLU A 500 -18.002 1.673 6.217 1.00 1.25 C ATOM 443 CD GLU A 500 -18.418 2.010 7.630 1.00 1.63 C ATOM 444 OE1 GLU A 500 -19.487 1.539 8.068 1.00 2.04 O ATOM 445 OE2 GLU A 500 -17.673 2.742 8.314 1.00 2.21 O ATOM 0 H GLU A 500 -16.357 3.385 4.337 1.00 0.54 H new ATOM 0 HA GLU A 500 -18.278 1.334 3.477 1.00 0.62 H new ATOM 0 HB2 GLU A 500 -18.458 3.629 5.467 1.00 0.80 H new ATOM 0 HB3 GLU A 500 -19.710 2.439 5.172 1.00 0.80 H new ATOM 0 HG2 GLU A 500 -18.280 0.642 5.998 1.00 1.25 H new ATOM 0 HG3 GLU A 500 -16.917 1.734 6.139 1.00 1.25 H new ATOM 452 N ALA A 501 -19.149 2.696 1.633 1.00 0.93 N ATOM 453 CA ALA A 501 -19.849 3.430 0.599 1.00 1.17 C ATOM 454 C ALA A 501 -21.338 3.122 0.659 1.00 1.28 C ATOM 455 O ALA A 501 -21.760 2.213 1.376 1.00 1.32 O ATOM 456 CB ALA A 501 -19.281 3.072 -0.761 1.00 1.29 C ATOM 0 H ALA A 501 -18.973 1.717 1.408 1.00 0.93 H new ATOM 0 HA ALA A 501 -19.712 4.499 0.761 1.00 1.17 H new ATOM 0 HB1 ALA A 501 -19.812 3.627 -1.535 1.00 1.29 H new ATOM 0 HB2 ALA A 501 -18.222 3.328 -0.792 1.00 1.29 H new ATOM 0 HB3 ALA A 501 -19.401 2.003 -0.935 1.00 1.29 H new ATOM 462 N GLY A 502 -22.124 3.877 -0.095 1.00 1.50 N ATOM 463 CA GLY A 502 -23.562 3.700 -0.093 1.00 1.65 C ATOM 464 C GLY A 502 -23.987 2.365 -0.669 1.00 1.94 C ATOM 465 O GLY A 502 -24.082 2.207 -1.888 1.00 2.51 O ATOM 0 H GLY A 502 -21.788 4.615 -0.713 1.00 1.50 H new ATOM 0 HA2 GLY A 502 -23.933 3.785 0.928 1.00 1.65 H new ATOM 0 HA3 GLY A 502 -24.024 4.503 -0.668 1.00 1.65 H new ATOM 469 N GLY A 503 -24.210 1.397 0.206 1.00 1.76 N ATOM 470 CA GLY A 503 -24.695 0.102 -0.220 1.00 2.10 C ATOM 471 C GLY A 503 -23.598 -0.936 -0.279 1.00 1.94 C ATOM 472 O GLY A 503 -23.837 -2.121 -0.037 1.00 2.03 O ATOM 0 H GLY A 503 -24.062 1.487 1.211 1.00 1.76 H new ATOM 0 HA2 GLY A 503 -25.473 -0.235 0.465 1.00 2.10 H new ATOM 0 HA3 GLY A 503 -25.156 0.196 -1.203 1.00 2.10 H new ATOM 476 N ILE A 504 -22.386 -0.498 -0.584 1.00 1.77 N ATOM 477 CA ILE A 504 -21.271 -1.414 -0.740 1.00 1.65 C ATOM 478 C ILE A 504 -20.080 -0.949 0.086 1.00 1.24 C ATOM 479 O ILE A 504 -19.441 0.052 -0.230 1.00 1.16 O ATOM 480 CB ILE A 504 -20.848 -1.549 -2.219 1.00 1.91 C ATOM 481 CG1 ILE A 504 -22.055 -1.920 -3.088 1.00 2.34 C ATOM 482 CG2 ILE A 504 -19.751 -2.595 -2.361 1.00 1.84 C ATOM 483 CD1 ILE A 504 -21.743 -2.011 -4.565 1.00 2.42 C ATOM 0 H ILE A 504 -22.152 0.484 -0.728 1.00 1.77 H new ATOM 0 HA ILE A 504 -21.602 -2.390 -0.386 1.00 1.65 H new ATOM 0 HB ILE A 504 -20.459 -0.589 -2.558 1.00 1.91 H new ATOM 0 HG12 ILE A 504 -22.452 -2.878 -2.751 1.00 2.34 H new ATOM 0 HG13 ILE A 504 -22.840 -1.179 -2.938 1.00 2.34 H new ATOM 0 HG21 ILE A 504 -19.463 -2.680 -3.409 1.00 1.84 H new ATOM 0 HG22 ILE A 504 -18.885 -2.297 -1.769 1.00 1.84 H new ATOM 0 HG23 ILE A 504 -20.119 -3.558 -2.007 1.00 1.84 H new ATOM 0 HD11 ILE A 504 -22.647 -2.278 -5.112 1.00 2.42 H new ATOM 0 HD12 ILE A 504 -21.375 -1.048 -4.919 1.00 2.42 H new ATOM 0 HD13 ILE A 504 -20.981 -2.773 -4.730 1.00 2.42 H new ATOM 495 N THR A 505 -19.797 -1.669 1.152 1.00 1.06 N ATOM 496 CA THR A 505 -18.661 -1.360 1.998 1.00 0.72 C ATOM 497 C THR A 505 -17.577 -2.410 1.789 1.00 0.65 C ATOM 498 O THR A 505 -17.879 -3.600 1.680 1.00 0.91 O ATOM 499 CB THR A 505 -19.081 -1.298 3.482 1.00 0.78 C ATOM 500 OG1 THR A 505 -19.498 -2.594 3.942 1.00 1.05 O ATOM 501 CG2 THR A 505 -20.229 -0.315 3.667 1.00 0.91 C ATOM 0 H THR A 505 -20.341 -2.477 1.455 1.00 1.06 H new ATOM 0 HA THR A 505 -18.270 -0.380 1.724 1.00 0.72 H new ATOM 0 HB THR A 505 -18.219 -0.967 4.062 1.00 0.78 H new ATOM 0 HG1 THR A 505 -19.759 -2.538 4.885 1.00 1.05 H new ATOM 0 HG21 THR A 505 -20.514 -0.282 4.719 1.00 0.91 H new ATOM 0 HG22 THR A 505 -19.913 0.678 3.345 1.00 0.91 H new ATOM 0 HG23 THR A 505 -21.082 -0.636 3.070 1.00 0.91 H new ATOM 509 N GLY A 506 -16.323 -1.984 1.716 1.00 0.48 N ATOM 510 CA GLY A 506 -15.268 -2.911 1.360 1.00 0.58 C ATOM 511 C GLY A 506 -13.987 -2.679 2.121 1.00 0.45 C ATOM 512 O GLY A 506 -13.749 -1.585 2.635 1.00 0.43 O ATOM 0 H GLY A 506 -16.020 -1.026 1.894 1.00 0.48 H new ATOM 0 HA2 GLY A 506 -15.612 -3.929 1.543 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -15.068 -2.829 0.292 1.00 0.58 H new ATOM 516 N GLU A 507 -13.158 -3.712 2.181 1.00 0.41 N ATOM 517 CA GLU A 507 -11.890 -3.653 2.894 1.00 0.34 C ATOM 518 C GLU A 507 -10.809 -3.050 2.012 1.00 0.27 C ATOM 519 O GLU A 507 -10.609 -3.476 0.873 1.00 0.30 O ATOM 520 CB GLU A 507 -11.466 -5.049 3.334 1.00 0.42 C ATOM 521 CG GLU A 507 -12.398 -5.687 4.346 1.00 0.56 C ATOM 522 CD GLU A 507 -12.013 -7.117 4.650 1.00 0.78 C ATOM 523 OE1 GLU A 507 -11.108 -7.331 5.480 1.00 1.27 O ATOM 524 OE2 GLU A 507 -12.613 -8.035 4.055 1.00 1.63 O ATOM 0 H GLU A 507 -13.345 -4.612 1.738 1.00 0.41 H new ATOM 0 HA GLU A 507 -12.023 -3.023 3.773 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -11.404 -5.692 2.456 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -10.465 -4.996 3.761 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -12.385 -5.105 5.267 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -13.419 -5.660 3.966 1.00 0.56 H new ATOM 531 N TYR A 508 -10.120 -2.053 2.535 1.00 0.21 N ATOM 532 CA TYR A 508 -9.065 -1.390 1.788 1.00 0.17 C ATOM 533 C TYR A 508 -7.765 -1.361 2.565 1.00 0.15 C ATOM 534 O TYR A 508 -7.732 -1.300 3.791 1.00 0.21 O ATOM 535 CB TYR A 508 -9.476 0.037 1.409 1.00 0.19 C ATOM 536 CG TYR A 508 -10.565 0.110 0.360 1.00 0.26 C ATOM 537 CD1 TYR A 508 -11.845 -0.343 0.632 1.00 1.05 C ATOM 538 CD2 TYR A 508 -10.315 0.645 -0.897 1.00 1.38 C ATOM 539 CE1 TYR A 508 -12.846 -0.270 -0.310 1.00 1.02 C ATOM 540 CE2 TYR A 508 -11.313 0.721 -1.850 1.00 1.45 C ATOM 541 CZ TYR A 508 -12.577 0.262 -1.551 1.00 0.45 C ATOM 542 OH TYR A 508 -13.576 0.339 -2.494 1.00 0.54 O ATOM 0 H TYR A 508 -10.271 -1.684 3.474 1.00 0.21 H new ATOM 0 HA TYR A 508 -8.906 -1.967 0.877 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.815 0.556 2.306 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.599 0.571 1.044 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -12.062 -0.762 1.603 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -9.325 1.007 -1.133 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -13.838 -0.628 -0.077 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -11.103 1.138 -2.824 1.00 1.45 H new ATOM 0 HH TYR A 508 -13.221 0.740 -3.315 1.00 0.54 H new ATOM 552 N LEU A 509 -6.704 -1.440 1.810 1.00 0.19 N ATOM 553 CA LEU A 509 -5.360 -1.335 2.301 1.00 0.26 C ATOM 554 C LEU A 509 -5.018 0.130 2.522 1.00 0.21 C ATOM 555 O LEU A 509 -5.424 0.984 1.732 1.00 0.19 O ATOM 556 CB LEU A 509 -4.460 -1.986 1.243 1.00 0.43 C ATOM 557 CG LEU A 509 -2.978 -1.633 1.240 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.227 -2.715 0.489 1.00 0.98 C ATOM 559 CD2 LEU A 509 -2.731 -0.291 0.567 1.00 1.06 C ATOM 0 H LEU A 509 -6.755 -1.584 0.802 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.225 -1.838 3.258 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -4.544 -3.067 1.354 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -4.864 -1.734 0.262 1.00 0.43 H new ATOM 0 HG LEU A 509 -2.631 -1.563 2.271 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -1.163 -2.478 0.477 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -2.380 -3.674 0.984 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.598 -2.772 -0.534 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -1.664 -0.068 0.581 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -3.080 -0.332 -0.465 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.272 0.489 1.102 1.00 1.06 H new ATOM 571 N MET A 510 -4.296 0.429 3.590 1.00 0.22 N ATOM 572 CA MET A 510 -3.834 1.786 3.806 1.00 0.21 C ATOM 573 C MET A 510 -2.334 1.861 3.583 1.00 0.17 C ATOM 574 O MET A 510 -1.568 1.077 4.143 1.00 0.23 O ATOM 575 CB MET A 510 -4.170 2.289 5.210 1.00 0.27 C ATOM 576 CG MET A 510 -4.725 3.706 5.205 1.00 0.31 C ATOM 577 SD MET A 510 -4.533 4.558 6.786 1.00 0.50 S ATOM 578 CE MET A 510 -5.525 3.532 7.863 1.00 1.53 C ATOM 0 H MET A 510 -4.022 -0.240 4.310 1.00 0.22 H new ATOM 0 HA MET A 510 -4.350 2.427 3.091 1.00 0.21 H new ATOM 0 HB2 MET A 510 -4.898 1.619 5.668 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.273 2.256 5.828 1.00 0.27 H new ATOM 0 HG2 MET A 510 -4.223 4.282 4.427 1.00 0.31 H new ATOM 0 HG3 MET A 510 -5.783 3.673 4.945 1.00 0.31 H new ATOM 0 HE1 MET A 510 -4.991 3.364 8.799 1.00 1.53 H new ATOM 0 HE2 MET A 510 -6.472 4.031 8.070 1.00 1.53 H new ATOM 0 HE3 MET A 510 -5.717 2.575 7.378 1.00 1.53 H new ATOM 588 N LEU A 511 -1.922 2.780 2.737 1.00 0.15 N ATOM 589 CA LEU A 511 -0.512 2.990 2.466 1.00 0.13 C ATOM 590 C LEU A 511 -0.127 4.424 2.749 1.00 0.14 C ATOM 591 O LEU A 511 -0.926 5.341 2.568 1.00 0.20 O ATOM 592 CB LEU A 511 -0.197 2.628 1.014 1.00 0.17 C ATOM 593 CG LEU A 511 0.652 1.374 0.826 1.00 0.21 C ATOM 594 CD1 LEU A 511 0.346 0.715 -0.506 1.00 0.83 C ATOM 595 CD2 LEU A 511 2.124 1.730 0.894 1.00 0.69 C ATOM 0 H LEU A 511 -2.547 3.399 2.220 1.00 0.15 H new ATOM 0 HA LEU A 511 0.071 2.343 3.122 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.137 2.495 0.478 1.00 0.17 H new ATOM 0 HB3 LEU A 511 0.318 3.469 0.550 1.00 0.17 H new ATOM 0 HG LEU A 511 0.412 0.673 1.626 1.00 0.21 H new ATOM 0 HD11 LEU A 511 0.962 -0.177 -0.621 1.00 0.83 H new ATOM 0 HD12 LEU A 511 -0.707 0.436 -0.540 1.00 0.83 H new ATOM 0 HD13 LEU A 511 0.563 1.412 -1.315 1.00 0.83 H new ATOM 0 HD21 LEU A 511 2.723 0.829 0.759 1.00 0.69 H new ATOM 0 HD22 LEU A 511 2.362 2.445 0.107 1.00 0.69 H new ATOM 0 HD23 LEU A 511 2.347 2.172 1.865 1.00 0.69 H new ATOM 607 N THR A 512 1.094 4.608 3.204 1.00 0.15 N ATOM 608 CA THR A 512 1.586 5.925 3.526 1.00 0.19 C ATOM 609 C THR A 512 2.660 6.344 2.536 1.00 0.16 C ATOM 610 O THR A 512 3.684 5.673 2.388 1.00 0.21 O ATOM 611 CB THR A 512 2.164 5.984 4.949 1.00 0.28 C ATOM 612 OG1 THR A 512 1.753 4.830 5.702 1.00 0.58 O ATOM 613 CG2 THR A 512 1.684 7.236 5.651 1.00 0.55 C ATOM 0 H THR A 512 1.765 3.856 3.359 1.00 0.15 H new ATOM 0 HA THR A 512 0.739 6.609 3.468 1.00 0.19 H new ATOM 0 HB THR A 512 3.252 5.999 4.880 1.00 0.28 H new ATOM 0 HG1 THR A 512 2.171 4.028 5.325 1.00 0.58 H new ATOM 0 HG21 THR A 512 2.098 7.270 6.659 1.00 0.55 H new ATOM 0 HG22 THR A 512 2.012 8.114 5.094 1.00 0.55 H new ATOM 0 HG23 THR A 512 0.595 7.227 5.706 1.00 0.55 H new ATOM 621 N TYR A 513 2.403 7.433 1.845 1.00 0.16 N ATOM 622 CA TYR A 513 3.357 7.990 0.910 1.00 0.19 C ATOM 623 C TYR A 513 3.932 9.279 1.474 1.00 0.24 C ATOM 624 O TYR A 513 3.741 9.576 2.656 1.00 0.27 O ATOM 625 CB TYR A 513 2.691 8.233 -0.443 1.00 0.21 C ATOM 626 CG TYR A 513 2.568 6.991 -1.297 1.00 0.19 C ATOM 627 CD1 TYR A 513 1.708 5.960 -0.942 1.00 1.10 C ATOM 628 CD2 TYR A 513 3.309 6.853 -2.463 1.00 1.12 C ATOM 629 CE1 TYR A 513 1.592 4.830 -1.725 1.00 1.08 C ATOM 630 CE2 TYR A 513 3.197 5.725 -3.251 1.00 1.16 C ATOM 631 CZ TYR A 513 2.338 4.717 -2.878 1.00 0.24 C ATOM 632 OH TYR A 513 2.221 3.592 -3.662 1.00 0.28 O ATOM 0 H TYR A 513 1.530 7.956 1.915 1.00 0.16 H new ATOM 0 HA TYR A 513 4.172 7.282 0.761 1.00 0.19 H new ATOM 0 HB2 TYR A 513 1.697 8.649 -0.278 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.263 8.983 -0.989 1.00 0.21 H new ATOM 0 HD1 TYR A 513 1.121 6.044 -0.039 1.00 1.10 H new ATOM 0 HD2 TYR A 513 3.985 7.642 -2.759 1.00 1.12 H new ATOM 0 HE1 TYR A 513 0.919 4.037 -1.435 1.00 1.08 H new ATOM 0 HE2 TYR A 513 3.780 5.634 -4.155 1.00 1.16 H new ATOM 0 HH TYR A 513 3.095 3.156 -3.741 1.00 0.28 H new ATOM 642 N ALA A 514 4.634 10.034 0.641 1.00 0.28 N ATOM 643 CA ALA A 514 5.246 11.283 1.069 1.00 0.33 C ATOM 644 C ALA A 514 4.224 12.215 1.714 1.00 0.31 C ATOM 645 O ALA A 514 3.070 12.278 1.279 1.00 0.31 O ATOM 646 CB ALA A 514 5.916 11.968 -0.107 1.00 0.43 C ATOM 0 H ALA A 514 4.794 9.802 -0.339 1.00 0.28 H new ATOM 0 HA ALA A 514 5.999 11.046 1.820 1.00 0.33 H new ATOM 0 HB1 ALA A 514 6.370 12.901 0.226 1.00 0.43 H new ATOM 0 HB2 ALA A 514 6.687 11.316 -0.517 1.00 0.43 H new ATOM 0 HB3 ALA A 514 5.173 12.180 -0.876 1.00 0.43 H new ATOM 652 N ASN A 515 4.657 12.915 2.761 1.00 0.36 N ATOM 653 CA ASN A 515 3.810 13.869 3.481 1.00 0.40 C ATOM 654 C ASN A 515 2.667 13.142 4.204 1.00 0.39 C ATOM 655 O ASN A 515 1.575 13.685 4.371 1.00 0.44 O ATOM 656 CB ASN A 515 3.262 14.934 2.511 1.00 0.43 C ATOM 657 CG ASN A 515 2.513 16.064 3.201 1.00 1.29 C ATOM 658 OD1 ASN A 515 2.819 16.435 4.334 1.00 2.26 O ATOM 659 ND2 ASN A 515 1.519 16.611 2.519 1.00 1.69 N ATOM 0 H ASN A 515 5.603 12.838 3.135 1.00 0.36 H new ATOM 0 HA ASN A 515 4.415 14.372 4.235 1.00 0.40 H new ATOM 0 HB2 ASN A 515 4.091 15.354 1.941 1.00 0.43 H new ATOM 0 HB3 ASN A 515 2.596 14.452 1.796 1.00 0.43 H new ATOM 0 HD21 ASN A 515 0.975 17.369 2.930 1.00 1.69 H new ATOM 0 HD22 ASN A 515 1.297 16.274 1.582 1.00 1.69 H new ATOM 666 N ASP A 516 2.934 11.901 4.630 1.00 0.36 N ATOM 667 CA ASP A 516 1.947 11.083 5.342 1.00 0.37 C ATOM 668 C ASP A 516 0.668 10.926 4.531 1.00 0.34 C ATOM 669 O ASP A 516 -0.426 10.813 5.089 1.00 0.41 O ATOM 670 CB ASP A 516 1.616 11.675 6.717 1.00 0.45 C ATOM 671 CG ASP A 516 2.647 11.339 7.775 1.00 0.89 C ATOM 672 OD1 ASP A 516 2.585 10.226 8.342 1.00 1.60 O ATOM 673 OD2 ASP A 516 3.515 12.191 8.062 1.00 1.62 O ATOM 0 H ASP A 516 3.833 11.440 4.492 1.00 0.36 H new ATOM 0 HA ASP A 516 2.395 10.099 5.484 1.00 0.37 H new ATOM 0 HB2 ASP A 516 1.535 12.758 6.629 1.00 0.45 H new ATOM 0 HB3 ASP A 516 0.642 11.307 7.039 1.00 0.45 H new ATOM 678 N ALA A 517 0.806 10.923 3.214 1.00 0.31 N ATOM 679 CA ALA A 517 -0.341 10.809 2.330 1.00 0.30 C ATOM 680 C ALA A 517 -0.914 9.401 2.368 1.00 0.25 C ATOM 681 O ALA A 517 -0.172 8.418 2.393 1.00 0.23 O ATOM 682 CB ALA A 517 0.043 11.193 0.916 1.00 0.32 C ATOM 0 H ALA A 517 1.703 10.998 2.734 1.00 0.31 H new ATOM 0 HA ALA A 517 -1.112 11.497 2.677 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.827 11.102 0.265 1.00 0.32 H new ATOM 0 HB2 ALA A 517 0.400 12.223 0.903 1.00 0.32 H new ATOM 0 HB3 ALA A 517 0.832 10.531 0.561 1.00 0.32 H new ATOM 688 N LYS A 518 -2.234 9.314 2.367 1.00 0.28 N ATOM 689 CA LYS A 518 -2.917 8.042 2.529 1.00 0.28 C ATOM 690 C LYS A 518 -3.343 7.466 1.186 1.00 0.24 C ATOM 691 O LYS A 518 -4.087 8.095 0.430 1.00 0.38 O ATOM 692 CB LYS A 518 -4.148 8.216 3.420 1.00 0.41 C ATOM 693 CG LYS A 518 -3.846 8.839 4.772 1.00 0.56 C ATOM 694 CD LYS A 518 -3.057 7.899 5.672 1.00 0.64 C ATOM 695 CE LYS A 518 -2.826 8.513 7.047 1.00 0.99 C ATOM 696 NZ LYS A 518 -2.066 7.608 7.949 1.00 1.55 N ATOM 0 H LYS A 518 -2.856 10.114 2.255 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.219 7.348 2.996 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -4.876 8.837 2.899 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -4.613 7.242 3.575 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -3.282 9.761 4.628 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -4.781 9.110 5.263 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -3.595 6.957 5.778 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -2.098 7.668 5.209 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -2.283 9.452 6.937 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -3.787 8.752 7.502 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -1.934 8.069 8.872 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -2.595 6.722 8.077 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -1.137 7.400 7.530 1.00 1.55 H new ATOM 710 N LEU A 519 -2.864 6.272 0.898 1.00 0.16 N ATOM 711 CA LEU A 519 -3.296 5.531 -0.272 1.00 0.15 C ATOM 712 C LEU A 519 -4.260 4.433 0.148 1.00 0.14 C ATOM 713 O LEU A 519 -4.015 3.729 1.128 1.00 0.21 O ATOM 714 CB LEU A 519 -2.096 4.914 -0.999 1.00 0.20 C ATOM 715 CG LEU A 519 -2.449 3.869 -2.063 1.00 0.25 C ATOM 716 CD1 LEU A 519 -3.240 4.497 -3.199 1.00 0.89 C ATOM 717 CD2 LEU A 519 -1.195 3.194 -2.590 1.00 0.72 C ATOM 0 H LEU A 519 -2.167 5.789 1.465 1.00 0.16 H new ATOM 0 HA LEU A 519 -3.796 6.219 -0.954 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.527 5.714 -1.472 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.442 4.451 -0.260 1.00 0.20 H new ATOM 0 HG LEU A 519 -3.075 3.109 -1.595 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -3.478 3.735 -3.941 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -4.163 4.923 -2.807 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -2.646 5.284 -3.664 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -1.469 2.456 -3.344 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -0.539 3.942 -3.035 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -0.676 2.699 -1.769 1.00 0.72 H new ATOM 729 N TYR A 520 -5.356 4.305 -0.578 1.00 0.12 N ATOM 730 CA TYR A 520 -6.325 3.258 -0.314 1.00 0.14 C ATOM 731 C TYR A 520 -6.362 2.288 -1.481 1.00 0.16 C ATOM 732 O TYR A 520 -6.673 2.669 -2.611 1.00 0.22 O ATOM 733 CB TYR A 520 -7.718 3.842 -0.104 1.00 0.19 C ATOM 734 CG TYR A 520 -7.784 4.942 0.932 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.928 4.647 2.280 1.00 0.96 C ATOM 736 CD2 TYR A 520 -7.716 6.276 0.557 1.00 1.05 C ATOM 737 CE1 TYR A 520 -8.003 5.653 3.225 1.00 0.97 C ATOM 738 CE2 TYR A 520 -7.785 7.286 1.495 1.00 1.10 C ATOM 739 CZ TYR A 520 -7.931 6.969 2.826 1.00 0.40 C ATOM 740 OH TYR A 520 -8.014 7.975 3.762 1.00 0.50 O ATOM 0 H TYR A 520 -5.597 4.916 -1.358 1.00 0.12 H new ATOM 0 HA TYR A 520 -6.023 2.738 0.595 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.082 4.232 -1.054 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.394 3.040 0.192 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -7.982 3.616 2.596 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -7.607 6.529 -0.487 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -8.117 5.408 4.271 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -7.725 8.319 1.186 1.00 1.10 H new ATOM 0 HH TYR A 520 -7.945 8.844 3.315 1.00 0.50 H new ATOM 750 N VAL A 521 -6.023 1.044 -1.214 1.00 0.17 N ATOM 751 CA VAL A 521 -6.081 0.007 -2.229 1.00 0.17 C ATOM 752 C VAL A 521 -7.049 -1.082 -1.802 1.00 0.18 C ATOM 753 O VAL A 521 -6.879 -1.688 -0.752 1.00 0.20 O ATOM 754 CB VAL A 521 -4.695 -0.619 -2.492 1.00 0.19 C ATOM 755 CG1 VAL A 521 -4.805 -1.749 -3.503 1.00 0.33 C ATOM 756 CG2 VAL A 521 -3.711 0.437 -2.969 1.00 0.28 C ATOM 0 H VAL A 521 -5.703 0.723 -0.300 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.424 0.473 -3.153 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.321 -1.033 -1.556 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -3.819 -2.179 -3.677 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.474 -2.519 -3.117 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.202 -1.361 -4.441 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -2.740 -0.025 -3.149 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.077 0.884 -3.893 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -3.609 1.210 -2.207 1.00 0.28 H new ATOM 766 N PRO A 522 -8.079 -1.348 -2.604 1.00 0.19 N ATOM 767 CA PRO A 522 -9.076 -2.358 -2.269 1.00 0.22 C ATOM 768 C PRO A 522 -8.458 -3.745 -2.238 1.00 0.20 C ATOM 769 O PRO A 522 -7.592 -4.067 -3.055 1.00 0.19 O ATOM 770 CB PRO A 522 -10.107 -2.245 -3.396 1.00 0.25 C ATOM 771 CG PRO A 522 -9.386 -1.591 -4.524 1.00 0.22 C ATOM 772 CD PRO A 522 -8.330 -0.716 -3.909 1.00 0.19 C ATOM 0 HA PRO A 522 -9.512 -2.205 -1.282 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.482 -3.226 -3.685 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -10.968 -1.654 -3.084 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -8.937 -2.336 -5.181 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -10.072 -1.001 -5.132 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.428 -0.685 -4.520 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -8.675 0.312 -3.798 1.00 0.19 H new ATOM 780 N VAL A 523 -8.893 -4.563 -1.291 1.00 0.22 N ATOM 781 CA VAL A 523 -8.370 -5.922 -1.161 1.00 0.24 C ATOM 782 C VAL A 523 -8.756 -6.775 -2.369 1.00 0.25 C ATOM 783 O VAL A 523 -8.295 -7.905 -2.522 1.00 0.32 O ATOM 784 CB VAL A 523 -8.849 -6.608 0.135 1.00 0.29 C ATOM 785 CG1 VAL A 523 -8.275 -5.902 1.357 1.00 0.31 C ATOM 786 CG2 VAL A 523 -10.369 -6.647 0.196 1.00 0.30 C ATOM 0 H VAL A 523 -9.603 -4.315 -0.603 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.284 -5.836 -1.115 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.486 -7.636 0.133 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -8.624 -6.400 2.262 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -7.186 -5.938 1.320 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.604 -4.863 1.365 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -10.684 -7.135 1.118 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -10.760 -5.630 0.172 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -10.753 -7.204 -0.659 1.00 0.30 H new ATOM 796 N SER A 524 -9.605 -6.221 -3.223 1.00 0.24 N ATOM 797 CA SER A 524 -9.983 -6.868 -4.470 1.00 0.28 C ATOM 798 C SER A 524 -8.992 -6.522 -5.584 1.00 0.28 C ATOM 799 O SER A 524 -9.110 -7.016 -6.704 1.00 0.37 O ATOM 800 CB SER A 524 -11.392 -6.430 -4.872 1.00 0.36 C ATOM 801 OG SER A 524 -12.320 -6.667 -3.824 1.00 1.34 O ATOM 0 H SER A 524 -10.049 -5.315 -3.072 1.00 0.24 H new ATOM 0 HA SER A 524 -9.967 -7.947 -4.319 1.00 0.28 H new ATOM 0 HB2 SER A 524 -11.388 -5.370 -5.125 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.703 -6.970 -5.766 1.00 0.36 H new ATOM 0 HG SER A 524 -13.213 -6.377 -4.106 1.00 1.34 H new ATOM 807 N SER A 525 -8.017 -5.674 -5.270 1.00 0.24 N ATOM 808 CA SER A 525 -7.024 -5.243 -6.249 1.00 0.25 C ATOM 809 C SER A 525 -5.605 -5.468 -5.729 1.00 0.24 C ATOM 810 O SER A 525 -4.663 -4.789 -6.140 1.00 0.27 O ATOM 811 CB SER A 525 -7.235 -3.768 -6.598 1.00 0.27 C ATOM 812 OG SER A 525 -8.564 -3.544 -7.040 1.00 0.28 O ATOM 0 H SER A 525 -7.893 -5.270 -4.342 1.00 0.24 H new ATOM 0 HA SER A 525 -7.151 -5.843 -7.150 1.00 0.25 H new ATOM 0 HB2 SER A 525 -7.027 -3.149 -5.725 1.00 0.27 H new ATOM 0 HB3 SER A 525 -6.532 -3.469 -7.376 1.00 0.27 H new ATOM 0 HG SER A 525 -8.681 -2.596 -7.257 1.00 0.28 H new ATOM 818 N LEU A 526 -5.462 -6.429 -4.822 1.00 0.25 N ATOM 819 CA LEU A 526 -4.163 -6.748 -4.231 1.00 0.26 C ATOM 820 C LEU A 526 -3.173 -7.236 -5.281 1.00 0.30 C ATOM 821 O LEU A 526 -1.965 -7.079 -5.122 1.00 0.39 O ATOM 822 CB LEU A 526 -4.317 -7.802 -3.133 1.00 0.31 C ATOM 823 CG LEU A 526 -5.016 -7.320 -1.863 1.00 0.38 C ATOM 824 CD1 LEU A 526 -5.096 -8.437 -0.836 1.00 0.51 C ATOM 825 CD2 LEU A 526 -4.289 -6.113 -1.288 1.00 0.46 C ATOM 0 H LEU A 526 -6.231 -7.003 -4.478 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.769 -5.830 -3.795 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -4.875 -8.646 -3.538 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.327 -8.173 -2.866 1.00 0.31 H new ATOM 0 HG LEU A 526 -6.033 -7.023 -2.119 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -5.597 -8.072 0.060 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -5.658 -9.273 -1.251 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -4.090 -8.768 -0.579 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -4.797 -5.779 -0.383 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -3.262 -6.388 -1.047 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -4.286 -5.306 -2.021 1.00 0.46 H new ATOM 837 N HIS A 527 -3.683 -7.789 -6.372 1.00 0.31 N ATOM 838 CA HIS A 527 -2.828 -8.331 -7.422 1.00 0.41 C ATOM 839 C HIS A 527 -2.217 -7.216 -8.276 1.00 0.44 C ATOM 840 O HIS A 527 -1.729 -7.464 -9.377 1.00 0.64 O ATOM 841 CB HIS A 527 -3.604 -9.316 -8.304 1.00 0.50 C ATOM 842 CG HIS A 527 -3.925 -10.617 -7.625 1.00 1.49 C ATOM 843 ND1 HIS A 527 -3.372 -11.820 -8.005 1.00 2.24 N ATOM 844 CD2 HIS A 527 -4.757 -10.902 -6.596 1.00 2.53 C ATOM 845 CE1 HIS A 527 -3.851 -12.785 -7.242 1.00 3.18 C ATOM 846 NE2 HIS A 527 -4.696 -12.256 -6.376 1.00 3.40 N ATOM 0 H HIS A 527 -4.683 -7.875 -6.555 1.00 0.31 H new ATOM 0 HA HIS A 527 -2.013 -8.868 -6.937 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -4.533 -8.846 -8.626 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -3.022 -9.520 -9.203 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -5.359 -10.193 -6.048 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -3.595 -13.832 -7.314 1.00 3.18 H new ATOM 0 HE2 HIS A 527 -5.216 -12.767 -5.663 1.00 3.40 H new ATOM 855 N LEU A 528 -2.262 -5.990 -7.765 1.00 0.33 N ATOM 856 CA LEU A 528 -1.615 -4.858 -8.411 1.00 0.38 C ATOM 857 C LEU A 528 -0.518 -4.285 -7.513 1.00 0.41 C ATOM 858 O LEU A 528 0.169 -3.327 -7.878 1.00 0.57 O ATOM 859 CB LEU A 528 -2.641 -3.766 -8.723 1.00 0.36 C ATOM 860 CG LEU A 528 -3.816 -4.187 -9.607 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.779 -3.023 -9.787 1.00 0.34 C ATOM 862 CD2 LEU A 528 -3.323 -4.679 -10.960 1.00 0.42 C ATOM 0 H LEU A 528 -2.745 -5.756 -6.898 1.00 0.33 H new ATOM 0 HA LEU A 528 -1.168 -5.207 -9.342 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -3.037 -3.387 -7.781 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -2.125 -2.937 -9.208 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.341 -5.007 -9.116 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.612 -3.334 -10.418 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -5.158 -2.711 -8.814 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -4.258 -2.189 -10.258 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -4.175 -4.973 -11.573 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.775 -3.880 -11.460 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.665 -5.536 -10.818 1.00 0.42 H new ATOM 874 N ILE A 529 -0.382 -4.852 -6.319 1.00 0.31 N ATOM 875 CA ILE A 529 0.636 -4.424 -5.371 1.00 0.29 C ATOM 876 C ILE A 529 1.811 -5.392 -5.369 1.00 0.31 C ATOM 877 O ILE A 529 1.625 -6.607 -5.360 1.00 0.42 O ATOM 878 CB ILE A 529 0.045 -4.344 -3.955 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.199 -3.455 -3.967 1.00 0.32 C ATOM 880 CG2 ILE A 529 1.077 -3.824 -2.958 1.00 0.33 C ATOM 881 CD1 ILE A 529 -0.895 -1.974 -4.070 1.00 0.43 C ATOM 0 H ILE A 529 -0.970 -5.615 -5.984 1.00 0.31 H new ATOM 0 HA ILE A 529 0.987 -3.438 -5.676 1.00 0.29 H new ATOM 0 HB ILE A 529 -0.240 -5.347 -3.637 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -1.833 -3.745 -4.805 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -1.772 -3.636 -3.057 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.632 -3.778 -1.964 1.00 0.33 H new ATOM 0 HG22 ILE A 529 1.936 -4.495 -2.940 1.00 0.33 H new ATOM 0 HG23 ILE A 529 1.402 -2.827 -3.257 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -1.828 -1.410 -4.073 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.288 -1.667 -3.218 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.350 -1.778 -4.993 1.00 0.43 H new ATOM 893 N SER A 530 3.014 -4.854 -5.372 1.00 0.31 N ATOM 894 CA SER A 530 4.210 -5.670 -5.366 1.00 0.37 C ATOM 895 C SER A 530 5.057 -5.323 -4.157 1.00 0.31 C ATOM 896 O SER A 530 5.131 -4.165 -3.758 1.00 0.35 O ATOM 897 CB SER A 530 4.995 -5.433 -6.655 1.00 0.45 C ATOM 898 OG SER A 530 4.245 -5.807 -7.800 1.00 0.99 O ATOM 0 H SER A 530 3.189 -3.849 -5.379 1.00 0.31 H new ATOM 0 HA SER A 530 3.936 -6.724 -5.310 1.00 0.37 H new ATOM 0 HB2 SER A 530 5.269 -4.380 -6.727 1.00 0.45 H new ATOM 0 HB3 SER A 530 5.924 -6.003 -6.626 1.00 0.45 H new ATOM 0 HG SER A 530 4.784 -6.399 -8.365 1.00 0.99 H new ATOM 904 N ARG A 531 5.673 -6.322 -3.558 1.00 0.39 N ATOM 905 CA ARG A 531 6.518 -6.086 -2.408 1.00 0.42 C ATOM 906 C ARG A 531 7.867 -5.564 -2.875 1.00 0.36 C ATOM 907 O ARG A 531 8.349 -5.973 -3.930 1.00 0.41 O ATOM 908 CB ARG A 531 6.700 -7.361 -1.593 1.00 0.57 C ATOM 909 CG ARG A 531 6.834 -7.091 -0.110 1.00 0.54 C ATOM 910 CD ARG A 531 7.304 -8.321 0.650 1.00 0.95 C ATOM 911 NE ARG A 531 8.705 -8.626 0.363 1.00 1.31 N ATOM 912 CZ ARG A 531 9.730 -8.096 1.033 1.00 1.92 C ATOM 913 NH1 ARG A 531 9.506 -7.282 2.059 1.00 2.47 N ATOM 914 NH2 ARG A 531 10.975 -8.398 0.699 1.00 2.51 N ATOM 0 H ARG A 531 5.605 -7.298 -3.847 1.00 0.39 H new ATOM 0 HA ARG A 531 6.041 -5.345 -1.767 1.00 0.42 H new ATOM 0 HB2 ARG A 531 5.849 -8.021 -1.763 1.00 0.57 H new ATOM 0 HB3 ARG A 531 7.587 -7.888 -1.944 1.00 0.57 H new ATOM 0 HG2 ARG A 531 7.539 -6.275 0.048 1.00 0.54 H new ATOM 0 HG3 ARG A 531 5.873 -6.764 0.288 1.00 0.54 H new ATOM 0 HD2 ARG A 531 7.178 -8.159 1.720 1.00 0.95 H new ATOM 0 HD3 ARG A 531 6.682 -9.175 0.382 1.00 0.95 H new ATOM 0 HE ARG A 531 8.910 -9.281 -0.392 1.00 1.31 H new ATOM 0 HH11 ARG A 531 8.549 -7.061 2.336 1.00 2.47 H new ATOM 0 HH12 ARG A 531 10.291 -6.878 2.570 1.00 2.47 H new ATOM 0 HH21 ARG A 531 11.155 -9.039 -0.074 1.00 2.51 H new ATOM 0 HH22 ARG A 531 11.755 -7.990 1.215 1.00 2.51 H new ATOM 928 N TYR A 532 8.453 -4.650 -2.109 1.00 0.37 N ATOM 929 CA TYR A 532 9.699 -4.000 -2.497 1.00 0.50 C ATOM 930 C TYR A 532 10.774 -5.022 -2.870 1.00 0.77 C ATOM 931 O TYR A 532 11.066 -5.215 -4.056 1.00 1.57 O ATOM 932 CB TYR A 532 10.187 -3.108 -1.360 1.00 0.57 C ATOM 933 CG TYR A 532 11.249 -2.129 -1.782 1.00 0.48 C ATOM 934 CD1 TYR A 532 12.581 -2.338 -1.465 1.00 1.43 C ATOM 935 CD2 TYR A 532 10.911 -0.999 -2.506 1.00 1.15 C ATOM 936 CE1 TYR A 532 13.553 -1.442 -1.858 1.00 1.48 C ATOM 937 CE2 TYR A 532 11.875 -0.096 -2.906 1.00 1.24 C ATOM 938 CZ TYR A 532 13.195 -0.323 -2.579 1.00 0.77 C ATOM 939 OH TYR A 532 14.161 0.570 -2.973 1.00 1.01 O ATOM 0 H TYR A 532 8.082 -4.341 -1.210 1.00 0.37 H new ATOM 0 HA TYR A 532 9.506 -3.391 -3.380 1.00 0.50 H new ATOM 0 HB2 TYR A 532 9.340 -2.559 -0.950 1.00 0.57 H new ATOM 0 HB3 TYR A 532 10.579 -3.735 -0.559 1.00 0.57 H new ATOM 0 HD1 TYR A 532 12.863 -3.215 -0.902 1.00 1.43 H new ATOM 0 HD2 TYR A 532 9.877 -0.821 -2.762 1.00 1.15 H new ATOM 0 HE1 TYR A 532 14.588 -1.616 -1.603 1.00 1.48 H new ATOM 0 HE2 TYR A 532 11.598 0.782 -3.471 1.00 1.24 H new ATOM 0 HH TYR A 532 13.796 1.163 -3.662 1.00 1.01 H new ATOM 949 N ALA A 533 11.356 -5.664 -1.857 1.00 0.88 N ATOM 950 CA ALA A 533 12.359 -6.712 -2.060 1.00 1.11 C ATOM 951 C ALA A 533 13.559 -6.214 -2.873 1.00 1.43 C ATOM 952 O ALA A 533 13.752 -5.007 -3.057 1.00 1.88 O ATOM 953 CB ALA A 533 11.723 -7.922 -2.729 1.00 1.66 C ATOM 0 H ALA A 533 11.148 -5.474 -0.877 1.00 0.88 H new ATOM 0 HA ALA A 533 12.736 -7.001 -1.079 1.00 1.11 H new ATOM 0 HB1 ALA A 533 12.477 -8.695 -2.875 1.00 1.66 H new ATOM 0 HB2 ALA A 533 10.924 -8.309 -2.097 1.00 1.66 H new ATOM 0 HB3 ALA A 533 11.311 -7.629 -3.695 1.00 1.66 H new ATOM 959 N GLY A 534 14.377 -7.150 -3.338 1.00 1.85 N ATOM 960 CA GLY A 534 15.527 -6.799 -4.145 1.00 2.51 C ATOM 961 C GLY A 534 16.743 -6.479 -3.304 1.00 2.55 C ATOM 962 O GLY A 534 17.715 -7.237 -3.287 1.00 3.23 O ATOM 0 H GLY A 534 14.263 -8.149 -3.169 1.00 1.85 H new ATOM 0 HA2 GLY A 534 15.761 -7.624 -4.818 1.00 2.51 H new ATOM 0 HA3 GLY A 534 15.282 -5.939 -4.768 1.00 2.51 H new ATOM 966 N GLY A 535 16.686 -5.362 -2.598 1.00 2.26 N ATOM 967 CA GLY A 535 17.797 -4.945 -1.772 1.00 2.32 C ATOM 968 C GLY A 535 17.348 -4.530 -0.391 1.00 1.64 C ATOM 969 O GLY A 535 16.405 -5.102 0.158 1.00 1.87 O ATOM 0 H GLY A 535 15.884 -4.732 -2.583 1.00 2.26 H new ATOM 0 HA2 GLY A 535 18.515 -5.761 -1.690 1.00 2.32 H new ATOM 0 HA3 GLY A 535 18.313 -4.113 -2.251 1.00 2.32 H new ATOM 973 N ALA A 536 18.013 -3.530 0.170 1.00 1.36 N ATOM 974 CA ALA A 536 17.674 -3.034 1.495 1.00 1.04 C ATOM 975 C ALA A 536 16.341 -2.296 1.475 1.00 0.86 C ATOM 976 O ALA A 536 16.265 -1.130 1.078 1.00 0.93 O ATOM 977 CB ALA A 536 18.776 -2.126 2.018 1.00 1.69 C ATOM 0 H ALA A 536 18.793 -3.045 -0.274 1.00 1.36 H new ATOM 0 HA ALA A 536 17.578 -3.889 2.164 1.00 1.04 H new ATOM 0 HB1 ALA A 536 18.508 -1.763 3.010 1.00 1.69 H new ATOM 0 HB2 ALA A 536 19.710 -2.684 2.076 1.00 1.69 H new ATOM 0 HB3 ALA A 536 18.901 -1.279 1.343 1.00 1.69 H new ATOM 983 N GLU A 537 15.292 -2.978 1.905 1.00 0.77 N ATOM 984 CA GLU A 537 13.957 -2.402 1.899 1.00 0.79 C ATOM 985 C GLU A 537 13.771 -1.430 3.058 1.00 0.66 C ATOM 986 O GLU A 537 12.904 -0.561 3.017 1.00 0.68 O ATOM 987 CB GLU A 537 12.893 -3.500 1.939 1.00 1.03 C ATOM 988 CG GLU A 537 13.027 -4.456 3.108 1.00 1.51 C ATOM 989 CD GLU A 537 12.007 -5.570 3.062 1.00 2.08 C ATOM 990 OE1 GLU A 537 10.957 -5.453 3.724 1.00 2.73 O ATOM 991 OE2 GLU A 537 12.254 -6.575 2.363 1.00 2.51 O ATOM 0 H GLU A 537 15.339 -3.932 2.263 1.00 0.77 H new ATOM 0 HA GLU A 537 13.839 -1.843 0.971 1.00 0.79 H new ATOM 0 HB2 GLU A 537 11.908 -3.034 1.977 1.00 1.03 H new ATOM 0 HB3 GLU A 537 12.941 -4.070 1.011 1.00 1.03 H new ATOM 0 HG2 GLU A 537 14.029 -4.885 3.110 1.00 1.51 H new ATOM 0 HG3 GLU A 537 12.915 -3.903 4.041 1.00 1.51 H new ATOM 998 N GLU A 538 14.591 -1.572 4.092 1.00 0.73 N ATOM 999 CA GLU A 538 14.545 -0.653 5.221 1.00 0.90 C ATOM 1000 C GLU A 538 14.918 0.757 4.775 1.00 0.90 C ATOM 1001 O GLU A 538 14.498 1.744 5.379 1.00 1.09 O ATOM 1002 CB GLU A 538 15.487 -1.096 6.347 1.00 1.12 C ATOM 1003 CG GLU A 538 15.257 -2.516 6.842 1.00 2.06 C ATOM 1004 CD GLU A 538 16.037 -3.547 6.053 1.00 2.73 C ATOM 1005 OE1 GLU A 538 17.129 -3.945 6.505 1.00 3.26 O ATOM 1006 OE2 GLU A 538 15.564 -3.970 4.979 1.00 3.34 O ATOM 0 H GLU A 538 15.291 -2.310 4.172 1.00 0.73 H new ATOM 0 HA GLU A 538 13.524 -0.658 5.603 1.00 0.90 H new ATOM 0 HB2 GLU A 538 16.516 -1.009 5.998 1.00 1.12 H new ATOM 0 HB3 GLU A 538 15.376 -0.410 7.187 1.00 1.12 H new ATOM 0 HG2 GLU A 538 15.540 -2.580 7.893 1.00 2.06 H new ATOM 0 HG3 GLU A 538 14.194 -2.749 6.783 1.00 2.06 H new ATOM 1013 N ASN A 539 15.693 0.840 3.700 1.00 0.84 N ATOM 1014 CA ASN A 539 16.166 2.119 3.181 1.00 1.00 C ATOM 1015 C ASN A 539 15.386 2.522 1.936 1.00 0.82 C ATOM 1016 O ASN A 539 15.810 3.399 1.184 1.00 0.94 O ATOM 1017 CB ASN A 539 17.660 2.050 2.854 1.00 1.28 C ATOM 1018 CG ASN A 539 18.536 1.881 4.083 1.00 1.84 C ATOM 1019 OD1 ASN A 539 18.131 2.473 5.196 1.00 2.35 O flip ATOM 1020 ND2 ASN A 539 19.583 1.231 4.026 1.00 2.52 N flip ATOM 0 H ASN A 539 16.010 0.030 3.167 1.00 0.84 H new ATOM 0 HA ASN A 539 16.006 2.871 3.954 1.00 1.00 H new ATOM 0 HB2 ASN A 539 17.838 1.218 2.172 1.00 1.28 H new ATOM 0 HB3 ASN A 539 17.953 2.960 2.330 1.00 1.28 H new ATOM 0 HD21 ASN A 539 19.862 0.789 3.150 1.00 2.52 H new ATOM 0 HD22 ASN A 539 20.170 1.135 4.855 1.00 2.52 H new ATOM 1027 N ALA A 540 14.252 1.864 1.719 1.00 0.59 N ATOM 1028 CA ALA A 540 13.409 2.131 0.557 1.00 0.51 C ATOM 1029 C ALA A 540 12.976 3.595 0.504 1.00 0.47 C ATOM 1030 O ALA A 540 12.665 4.199 1.536 1.00 0.51 O ATOM 1031 CB ALA A 540 12.187 1.231 0.585 1.00 0.47 C ATOM 0 H ALA A 540 13.893 1.137 2.337 1.00 0.59 H new ATOM 0 HA ALA A 540 13.996 1.921 -0.338 1.00 0.51 H new ATOM 0 HB1 ALA A 540 11.564 1.437 -0.285 1.00 0.47 H new ATOM 0 HB2 ALA A 540 12.503 0.188 0.567 1.00 0.47 H new ATOM 0 HB3 ALA A 540 11.616 1.421 1.494 1.00 0.47 H new ATOM 1037 N PRO A 541 12.953 4.179 -0.702 1.00 0.46 N ATOM 1038 CA PRO A 541 12.533 5.564 -0.906 1.00 0.45 C ATOM 1039 C PRO A 541 11.021 5.714 -0.776 1.00 0.45 C ATOM 1040 O PRO A 541 10.295 4.724 -0.683 1.00 0.60 O ATOM 1041 CB PRO A 541 12.987 5.866 -2.334 1.00 0.49 C ATOM 1042 CG PRO A 541 12.976 4.544 -3.018 1.00 0.53 C ATOM 1043 CD PRO A 541 13.329 3.524 -1.971 1.00 0.52 C ATOM 0 HA PRO A 541 12.957 6.243 -0.167 1.00 0.45 H new ATOM 0 HB2 PRO A 541 12.315 6.571 -2.823 1.00 0.49 H new ATOM 0 HB3 PRO A 541 13.982 6.312 -2.348 1.00 0.49 H new ATOM 0 HG2 PRO A 541 11.996 4.337 -3.448 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.694 4.524 -3.838 1.00 0.53 H new ATOM 0 HD2 PRO A 541 12.782 2.593 -2.118 1.00 0.52 H new ATOM 0 HD3 PRO A 541 14.390 3.277 -1.995 1.00 0.52 H new ATOM 1051 N LEU A 542 10.549 6.947 -0.753 1.00 0.37 N ATOM 1052 CA LEU A 542 9.132 7.203 -0.585 1.00 0.38 C ATOM 1053 C LEU A 542 8.614 8.081 -1.720 1.00 0.35 C ATOM 1054 O LEU A 542 9.149 9.160 -1.977 1.00 0.43 O ATOM 1055 CB LEU A 542 8.887 7.871 0.771 1.00 0.49 C ATOM 1056 CG LEU A 542 7.434 7.902 1.241 1.00 0.58 C ATOM 1057 CD1 LEU A 542 6.886 6.491 1.384 1.00 0.60 C ATOM 1058 CD2 LEU A 542 7.325 8.650 2.559 1.00 1.40 C ATOM 0 H LEU A 542 11.125 7.784 -0.848 1.00 0.37 H new ATOM 0 HA LEU A 542 8.591 6.257 -0.614 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.482 7.353 1.523 1.00 0.49 H new ATOM 0 HB3 LEU A 542 9.256 8.896 0.723 1.00 0.49 H new ATOM 0 HG LEU A 542 6.839 8.425 0.492 1.00 0.58 H new ATOM 0 HD11 LEU A 542 5.850 6.535 1.720 1.00 0.60 H new ATOM 0 HD12 LEU A 542 6.934 5.983 0.421 1.00 0.60 H new ATOM 0 HD13 LEU A 542 7.481 5.942 2.114 1.00 0.60 H new ATOM 0 HD21 LEU A 542 6.285 8.665 2.884 1.00 1.40 H new ATOM 0 HD22 LEU A 542 7.933 8.150 3.313 1.00 1.40 H new ATOM 0 HD23 LEU A 542 7.679 9.672 2.427 1.00 1.40 H new ATOM 1070 N HIS A 543 7.591 7.599 -2.415 1.00 0.31 N ATOM 1071 CA HIS A 543 6.987 8.347 -3.513 1.00 0.32 C ATOM 1072 C HIS A 543 5.894 9.271 -3.003 1.00 0.29 C ATOM 1073 O HIS A 543 5.410 9.115 -1.882 1.00 0.33 O ATOM 1074 CB HIS A 543 6.410 7.394 -4.561 1.00 0.43 C ATOM 1075 CG HIS A 543 7.340 7.131 -5.702 1.00 0.62 C ATOM 1076 ND1 HIS A 543 6.930 7.113 -7.017 1.00 0.69 N ATOM 1077 CD2 HIS A 543 8.668 6.880 -5.722 1.00 1.25 C ATOM 1078 CE1 HIS A 543 7.964 6.862 -7.793 1.00 1.06 C ATOM 1079 NE2 HIS A 543 9.029 6.718 -7.034 1.00 1.47 N ATOM 0 H HIS A 543 7.161 6.691 -2.238 1.00 0.31 H new ATOM 0 HA HIS A 543 7.769 8.951 -3.974 1.00 0.32 H new ATOM 0 HB2 HIS A 543 6.159 6.448 -4.082 1.00 0.43 H new ATOM 0 HB3 HIS A 543 5.481 7.812 -4.948 1.00 0.43 H new ATOM 0 HD1 HIS A 543 5.975 7.270 -7.339 1.00 0.69 H new ATOM 0 HD2 HIS A 543 9.322 6.819 -4.865 1.00 1.25 H new ATOM 0 HE1 HIS A 543 7.942 6.787 -8.870 1.00 1.06 H new ATOM 1088 N LYS A 544 5.510 10.232 -3.829 1.00 0.35 N ATOM 1089 CA LYS A 544 4.474 11.186 -3.456 1.00 0.44 C ATOM 1090 C LYS A 544 3.110 10.723 -3.958 1.00 0.43 C ATOM 1091 O LYS A 544 2.990 10.126 -5.031 1.00 0.61 O ATOM 1092 CB LYS A 544 4.805 12.589 -3.983 1.00 0.67 C ATOM 1093 CG LYS A 544 4.920 12.678 -5.497 1.00 1.35 C ATOM 1094 CD LYS A 544 5.394 14.054 -5.936 1.00 1.77 C ATOM 1095 CE LYS A 544 5.552 14.139 -7.447 1.00 2.62 C ATOM 1096 NZ LYS A 544 4.250 14.006 -8.152 1.00 3.40 N ATOM 0 H LYS A 544 5.899 10.373 -4.761 1.00 0.35 H new ATOM 0 HA LYS A 544 4.436 11.238 -2.368 1.00 0.44 H new ATOM 0 HB2 LYS A 544 4.033 13.282 -3.648 1.00 0.67 H new ATOM 0 HB3 LYS A 544 5.744 12.919 -3.539 1.00 0.67 H new ATOM 0 HG2 LYS A 544 5.616 11.920 -5.856 1.00 1.35 H new ATOM 0 HG3 LYS A 544 3.952 12.463 -5.950 1.00 1.35 H new ATOM 0 HD2 LYS A 544 4.682 14.808 -5.602 1.00 1.77 H new ATOM 0 HD3 LYS A 544 6.347 14.281 -5.457 1.00 1.77 H new ATOM 0 HE2 LYS A 544 6.011 15.092 -7.710 1.00 2.62 H new ATOM 0 HE3 LYS A 544 6.229 13.355 -7.785 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 4.398 13.540 -9.070 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 3.600 13.435 -7.575 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 3.840 14.949 -8.305 1.00 3.40 H new ATOM 1110 N LEU A 545 2.082 11.004 -3.176 1.00 0.44 N ATOM 1111 CA LEU A 545 0.739 10.536 -3.475 1.00 0.58 C ATOM 1112 C LEU A 545 -0.069 11.658 -4.117 1.00 0.66 C ATOM 1113 O LEU A 545 -1.003 12.200 -3.523 1.00 1.04 O ATOM 1114 CB LEU A 545 0.080 10.044 -2.182 1.00 1.01 C ATOM 1115 CG LEU A 545 -0.934 8.899 -2.311 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -2.312 9.423 -2.688 1.00 0.85 C ATOM 1117 CD2 LEU A 545 -0.458 7.866 -3.325 1.00 0.67 C ATOM 0 H LEU A 545 2.153 11.558 -2.323 1.00 0.44 H new ATOM 0 HA LEU A 545 0.779 9.707 -4.182 1.00 0.58 H new ATOM 0 HB2 LEU A 545 0.868 9.724 -1.500 1.00 1.01 H new ATOM 0 HB3 LEU A 545 -0.422 10.891 -1.714 1.00 1.01 H new ATOM 0 HG LEU A 545 -1.013 8.415 -1.338 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -3.008 8.588 -2.772 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -2.662 10.112 -1.919 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -2.254 9.945 -3.643 1.00 0.85 H new ATOM 0 HD21 LEU A 545 -1.192 7.064 -3.400 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -0.339 8.340 -4.299 1.00 0.67 H new ATOM 0 HD23 LEU A 545 0.498 7.453 -3.003 1.00 0.67 H new ATOM 1129 N GLY A 546 0.333 12.026 -5.322 1.00 1.15 N ATOM 1130 CA GLY A 546 -0.362 13.052 -6.061 1.00 1.43 C ATOM 1131 C GLY A 546 0.556 13.754 -7.034 1.00 2.14 C ATOM 1132 O GLY A 546 1.684 13.307 -7.255 1.00 2.85 O ATOM 0 H GLY A 546 1.138 11.626 -5.804 1.00 1.15 H new ATOM 0 HA2 GLY A 546 -1.197 12.608 -6.603 1.00 1.43 H new ATOM 0 HA3 GLY A 546 -0.783 13.780 -5.367 1.00 1.43 H new ATOM 1136 N GLY A 547 0.081 14.848 -7.609 1.00 2.68 N ATOM 1137 CA GLY A 547 0.886 15.606 -8.540 1.00 3.84 C ATOM 1138 C GLY A 547 1.784 16.594 -7.833 1.00 4.60 C ATOM 1139 O GLY A 547 2.932 16.234 -7.512 1.00 4.86 O ATOM 1140 OXT GLY A 547 1.333 17.728 -7.567 1.00 5.29 O ATOM 0 H GLY A 547 -0.853 15.225 -7.446 1.00 2.68 H new ATOM 0 HA2 GLY A 547 1.494 14.923 -9.134 1.00 3.84 H new ATOM 0 HA3 GLY A 547 0.235 16.139 -9.233 1.00 3.84 H new TER 1144 GLY A 547